USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1112 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 82 TYR OH : rot 120:sc= 0.132 USER MOD Set 1.2: A 88 CYS SG : rot 180:sc= 0.128 USER MOD Single : A 3 THR OG1 : rot -14:sc= 0.433 USER MOD Single : A 10 MET CE :methyl 164:sc= -0.0783 (180deg=-0.42) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 31 ASN : amide:sc= -0.871 K(o=-0.87,f=-1.9) USER MOD Single : A 32 ASN : amide:sc= -1.99 K(o=-2,f=-9.1!) USER MOD Single : A 34 MET CE :methyl 161:sc= -0.105 (180deg=-0.693) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.23 F(o=-2!,f=-0.23) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 46 THR OG1 : rot -65:sc= 0.82 USER MOD Single : A 52 THR OG1 : rot 141:sc= 0.352 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 166:sc= 0.58 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= -0.656 (180deg=-2.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 147:sc= -2.5! (180deg=-2.89) USER MOD Single : A 76 MET CE :methyl -153:sc= 0 (180deg=-0.105) USER MOD Single : A 78 HIS : no HE2:sc= -0.0566 K(o=-0.057,f=-1.9!) USER MOD Single : A 80 ASN : amide:sc= -0.976 K(o=-0.98,f=-4.9!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.074) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.451 F(o=-4.7!,f=-0.45) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -100:sc= 0 USER MOD Single : A 107 THR OG1 : rot -15:sc= 1.04 USER MOD Single : A 108 SER OG : rot 170:sc= -0.173 USER MOD Single : A 110 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.3) USER MOD Single : A 111 SER OG : rot -16:sc= 0.594 USER MOD Single : A 123 ASN : amide:sc= -0.121 K(o=-0.12,f=-8.9!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.7!) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.667 F(o=-1.4!,f=-0.67) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.0956 F(o=-3.9!,f=-0.096) USER MOD Single : A 134 LYS NZ :NH3+ 164:sc= -0.0184 (180deg=-0.297) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.086) USER MOD Single : A 148 SER OG : rot -31:sc= 0.981 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.336 2.771 6.750 0.15 0.00 N ATOM 32 CA THR A 3 -23.921 4.074 6.242 0.33 0.00 C ATOM 33 C THR A 3 -23.669 4.030 4.736 0.16 0.00 C ATOM 34 O THR A 3 -23.392 2.969 4.178 0.89 0.00 O ATOM 35 CB THR A 3 -22.648 4.577 6.950 0.09 0.00 C ATOM 36 OG1 THR A 3 -21.782 3.476 7.249 0.22 0.00 O ATOM 37 CG2 THR A 3 -23.000 5.322 8.228 1.00 0.00 C ATOM 0 HA THR A 3 -24.739 4.764 6.448 0.33 0.00 H new ATOM 0 HB THR A 3 -22.133 5.265 6.279 0.09 0.00 H new ATOM 0 HG1 THR A 3 -22.273 2.635 7.140 0.22 0.00 H new ATOM 0 HG21 THR A 3 -22.086 5.668 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 3 -23.630 6.178 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 3 -23.536 4.654 8.902 1.00 0.00 H new ATOM 45 N PRO A 4 -23.762 5.191 4.058 0.21 0.00 N ATOM 46 CA PRO A 4 -23.543 5.279 2.611 0.05 0.00 C ATOM 47 C PRO A 4 -22.105 4.947 2.226 1.00 0.00 C ATOM 48 O PRO A 4 -21.839 4.492 1.112 0.97 0.00 O ATOM 49 CB PRO A 4 -23.858 6.743 2.285 1.00 0.00 C ATOM 50 CG PRO A 4 -23.676 7.468 3.574 0.06 0.00 C ATOM 51 CD PRO A 4 -24.090 6.504 4.646 0.39 0.00 C ATOM 0 HA PRO A 4 -24.160 4.567 2.063 0.05 0.00 H new ATOM 0 HB2 PRO A 4 -23.189 7.130 1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.875 6.854 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.639 7.778 3.706 0.06 0.00 H new ATOM 0 HG3 PRO A 4 -24.285 8.372 3.604 0.06 0.00 H new ATOM 0 HD2 PRO A 4 -23.547 6.677 5.575 0.39 0.00 H new ATOM 0 HD3 PRO A 4 -25.152 6.589 4.877 0.39 0.00 H new ATOM 59 N ALA A 5 -21.180 5.174 3.153 0.56 0.00 N ATOM 60 CA ALA A 5 -19.770 4.898 2.912 0.10 0.00 C ATOM 61 C ALA A 5 -19.511 3.397 2.870 0.10 0.00 C ATOM 62 O ALA A 5 -18.785 2.905 2.004 0.13 0.00 O ATOM 63 CB ALA A 5 -18.912 5.552 3.984 0.42 0.00 C ATOM 0 H ALA A 5 -21.383 5.549 4.080 0.56 0.00 H new ATOM 0 HA ALA A 5 -19.501 5.318 1.943 0.10 0.00 H new ATOM 0 HB1 ALA A 5 -17.861 5.337 3.790 0.42 0.00 H new ATOM 0 HB2 ALA A 5 -19.070 6.630 3.969 0.42 0.00 H new ATOM 0 HB3 ALA A 5 -19.189 5.158 4.962 0.42 0.00 H new ATOM 69 N ARG A 6 -20.112 2.674 3.810 0.10 0.00 N ATOM 70 CA ARG A 6 -19.954 1.227 3.884 0.06 0.00 C ATOM 71 C ARG A 6 -20.715 0.546 2.751 1.00 0.00 C ATOM 72 O ARG A 6 -20.347 -0.540 2.303 0.21 0.00 O ATOM 73 CB ARG A 6 -20.453 0.710 5.235 0.84 0.00 C ATOM 74 CG ARG A 6 -20.281 -0.789 5.424 0.79 0.00 C ATOM 75 CD ARG A 6 -20.839 -1.246 6.764 1.00 0.00 C ATOM 76 NE ARG A 6 -20.676 -2.683 6.967 0.71 0.00 N ATOM 77 CZ ARG A 6 -21.095 -3.326 8.053 0.21 0.00 C ATOM 78 NH1 ARG A 6 -21.695 -2.663 9.032 0.30 0.00 N ATOM 79 NH2 ARG A 6 -20.911 -4.635 8.159 1.00 0.00 N ATOM 0 H ARG A 6 -20.714 3.069 4.532 0.10 0.00 H new ATOM 0 HA ARG A 6 -18.895 0.990 3.783 0.06 0.00 H new ATOM 0 HB2 ARG A 6 -19.920 1.230 6.031 0.84 0.00 H new ATOM 0 HB3 ARG A 6 -21.508 0.961 5.341 0.84 0.00 H new ATOM 0 HG2 ARG A 6 -20.787 -1.320 4.617 0.79 0.00 H new ATOM 0 HG3 ARG A 6 -19.224 -1.046 5.361 0.79 0.00 H new ATOM 0 HD2 ARG A 6 -20.337 -0.708 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.897 -0.990 6.822 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.215 -3.224 6.235 0.71 0.00 H new ATOM 0 HH11 ARG A 6 -21.837 -1.656 8.954 0.30 0.00 H new ATOM 0 HH12 ARG A 6 -22.015 -3.160 9.863 0.30 0.00 H new ATOM 0 HH21 ARG A 6 -20.449 -5.147 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.232 -5.129 8.991 1.00 0.00 H new ATOM 93 N ARG A 7 -21.776 1.201 2.289 1.00 0.00 N ATOM 94 CA ARG A 7 -22.600 0.668 1.211 0.53 0.00 C ATOM 95 C ARG A 7 -21.803 0.571 -0.084 1.00 0.00 C ATOM 96 O ARG A 7 -21.908 -0.414 -0.816 0.83 0.00 O ATOM 97 CB ARG A 7 -23.832 1.553 1.001 0.14 0.00 C ATOM 98 CG ARG A 7 -24.835 0.979 0.015 0.12 0.00 C ATOM 99 CD ARG A 7 -26.049 1.883 -0.130 1.00 0.00 C ATOM 100 NE ARG A 7 -27.060 1.308 -1.014 0.29 0.00 N ATOM 101 CZ ARG A 7 -28.232 1.884 -1.265 0.11 0.00 C ATOM 102 NH1 ARG A 7 -28.540 3.046 -0.705 0.22 0.00 N ATOM 103 NH2 ARG A 7 -29.100 1.297 -2.079 0.81 0.00 N ATOM 0 H ARG A 7 -22.085 2.105 2.646 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.923 -0.334 1.493 0.53 0.00 H new ATOM 0 HB2 ARG A 7 -24.326 1.706 1.960 0.14 0.00 H new ATOM 0 HB3 ARG A 7 -23.509 2.533 0.648 0.14 0.00 H new ATOM 0 HG2 ARG A 7 -24.359 0.848 -0.957 0.12 0.00 H new ATOM 0 HG3 ARG A 7 -25.153 -0.009 0.350 0.12 0.00 H new ATOM 0 HD2 ARG A 7 -26.486 2.062 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -25.735 2.851 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 7 -26.856 0.415 -1.463 0.29 0.00 H new ATOM 0 HH11 ARG A 7 -27.877 3.502 -0.079 0.22 0.00 H new ATOM 0 HH12 ARG A 7 -29.440 3.484 -0.901 0.22 0.00 H new ATOM 0 HH21 ARG A 7 -28.868 0.403 -2.513 0.81 0.00 H new ATOM 0 HH22 ARG A 7 -29.999 1.739 -2.271 0.81 0.00 H new ATOM 117 N ARG A 8 -21.006 1.598 -0.362 0.06 0.00 N ATOM 118 CA ARG A 8 -20.191 1.628 -1.570 0.41 0.00 C ATOM 119 C ARG A 8 -19.129 0.533 -1.539 0.56 0.00 C ATOM 120 O ARG A 8 -18.840 -0.088 -2.561 0.56 0.00 O ATOM 121 CB ARG A 8 -19.524 2.998 -1.728 1.00 0.00 C ATOM 122 CG ARG A 8 -20.505 4.137 -1.954 0.06 0.00 C ATOM 123 CD ARG A 8 -21.215 4.010 -3.293 0.20 0.00 C ATOM 124 NE ARG A 8 -22.104 5.141 -3.550 0.14 0.00 N ATOM 125 CZ ARG A 8 -22.795 5.297 -4.679 0.85 0.00 C ATOM 126 NH1 ARG A 8 -22.699 4.397 -5.647 0.06 0.00 N ATOM 127 NH2 ARG A 8 -23.578 6.355 -4.837 0.77 0.00 N ATOM 0 H ARG A 8 -20.908 2.420 0.233 0.06 0.00 H new ATOM 0 HA ARG A 8 -20.846 1.450 -2.423 0.41 0.00 H new ATOM 0 HB2 ARG A 8 -18.935 3.210 -0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.829 2.958 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.242 4.147 -1.151 0.06 0.00 H new ATOM 0 HG3 ARG A 8 -19.974 5.088 -1.912 0.06 0.00 H new ATOM 0 HD2 ARG A 8 -20.475 3.942 -4.091 0.20 0.00 H new ATOM 0 HD3 ARG A 8 -21.791 3.085 -3.312 0.20 0.00 H new ATOM 0 HE ARG A 8 -22.201 5.851 -2.824 0.14 0.00 H new ATOM 0 HH11 ARG A 8 -22.096 3.583 -5.529 0.06 0.00 H new ATOM 0 HH12 ARG A 8 -23.229 4.518 -6.510 0.06 0.00 H new ATOM 0 HH21 ARG A 8 -23.652 7.050 -4.094 0.77 0.00 H new ATOM 0 HH22 ARG A 8 -24.107 6.474 -5.701 0.77 0.00 H new ATOM 141 N LEU A 9 -18.559 0.299 -0.360 0.09 0.00 N ATOM 142 CA LEU A 9 -17.527 -0.722 -0.196 0.14 0.00 C ATOM 143 C LEU A 9 -18.015 -2.081 -0.685 0.10 0.00 C ATOM 144 O LEU A 9 -17.230 -2.897 -1.170 1.00 0.00 O ATOM 145 CB LEU A 9 -17.104 -0.819 1.272 0.25 0.00 C ATOM 146 CG LEU A 9 -16.239 0.339 1.776 0.07 0.00 C ATOM 147 CD1 LEU A 9 -16.100 0.281 3.290 1.00 0.00 C ATOM 148 CD2 LEU A 9 -14.871 0.305 1.112 0.07 0.00 C ATOM 0 H LEU A 9 -18.794 0.802 0.496 0.09 0.00 H new ATOM 0 HA LEU A 9 -16.667 -0.429 -0.799 0.14 0.00 H new ATOM 0 HB2 LEU A 9 -18.000 -0.878 1.889 0.25 0.00 H new ATOM 0 HB3 LEU A 9 -16.556 -1.750 1.416 0.25 0.00 H new ATOM 0 HG LEU A 9 -16.728 1.277 1.513 0.07 0.00 H new ATOM 0 HD11 LEU A 9 -15.482 1.112 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.086 0.350 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.632 -0.661 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.267 1.134 1.480 0.07 0.00 H new ATOM 0 HD22 LEU A 9 -14.376 -0.637 1.347 0.07 0.00 H new ATOM 0 HD23 LEU A 9 -14.989 0.393 0.032 0.07 0.00 H new ATOM 160 N MET A 10 -19.316 -2.316 -0.554 1.00 0.00 N ATOM 161 CA MET A 10 -19.913 -3.575 -0.984 1.00 0.00 C ATOM 162 C MET A 10 -19.838 -3.720 -2.501 1.00 0.00 C ATOM 163 O MET A 10 -19.342 -4.724 -3.016 0.08 0.00 O ATOM 164 CB MET A 10 -21.371 -3.650 -0.526 0.35 0.00 C ATOM 165 CG MET A 10 -21.537 -3.600 0.985 0.06 0.00 C ATOM 166 SD MET A 10 -23.265 -3.499 1.493 0.20 0.00 S ATOM 167 CE MET A 10 -23.916 -5.020 0.802 0.16 0.00 C ATOM 0 H MET A 10 -19.977 -1.651 -0.153 1.00 0.00 H new ATOM 0 HA MET A 10 -19.352 -4.392 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 10 -21.926 -2.825 -0.972 0.35 0.00 H new ATOM 0 HB3 MET A 10 -21.814 -4.572 -0.902 0.35 0.00 H new ATOM 0 HG2 MET A 10 -21.084 -4.488 1.426 0.06 0.00 H new ATOM 0 HG3 MET A 10 -20.996 -2.739 1.377 0.06 0.00 H new ATOM 0 HE1 MET A 10 -24.879 -5.245 1.260 0.16 0.00 H new ATOM 0 HE2 MET A 10 -24.044 -4.905 -0.274 0.16 0.00 H new ATOM 0 HE3 MET A 10 -23.221 -5.836 1.000 0.16 0.00 H new ATOM 177 N ARG A 11 -20.327 -2.706 -3.207 0.22 0.00 N ATOM 178 CA ARG A 11 -20.326 -2.715 -4.666 0.30 0.00 C ATOM 179 C ARG A 11 -18.912 -2.863 -5.219 0.08 0.00 C ATOM 180 O ARG A 11 -18.714 -3.422 -6.298 0.66 0.00 O ATOM 181 CB ARG A 11 -20.960 -1.428 -5.203 0.05 0.00 C ATOM 182 CG ARG A 11 -22.382 -1.193 -4.713 0.65 0.00 C ATOM 183 CD ARG A 11 -23.324 -2.297 -5.168 1.00 0.00 C ATOM 184 NE ARG A 11 -23.306 -2.469 -6.618 0.07 0.00 N ATOM 185 CZ ARG A 11 -23.836 -3.517 -7.243 1.00 0.00 C ATOM 186 NH1 ARG A 11 -24.419 -4.486 -6.547 0.99 0.00 N ATOM 187 NH2 ARG A 11 -23.782 -3.600 -8.565 1.00 0.00 N ATOM 0 H ARG A 11 -20.730 -1.866 -2.792 0.22 0.00 H new ATOM 0 HA ARG A 11 -20.913 -3.573 -4.995 0.30 0.00 H new ATOM 0 HB2 ARG A 11 -20.340 -0.580 -4.912 0.05 0.00 H new ATOM 0 HB3 ARG A 11 -20.962 -1.462 -6.292 0.05 0.00 H new ATOM 0 HG2 ARG A 11 -22.387 -1.136 -3.624 0.65 0.00 H new ATOM 0 HG3 ARG A 11 -22.741 -0.233 -5.084 0.65 0.00 H new ATOM 0 HD2 ARG A 11 -23.042 -3.234 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -24.338 -2.065 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 11 -22.862 -1.745 -7.183 0.07 0.00 H new ATOM 0 HH11 ARG A 11 -24.462 -4.428 -5.530 0.99 0.00 H new ATOM 0 HH12 ARG A 11 -24.824 -5.288 -7.030 0.99 0.00 H new ATOM 0 HH21 ARG A 11 -23.334 -2.860 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -24.189 -4.404 -9.043 1.00 0.00 H new ATOM 201 N ASP A 12 -17.931 -2.362 -4.473 0.26 0.00 N ATOM 202 CA ASP A 12 -16.537 -2.439 -4.899 1.00 0.00 C ATOM 203 C ASP A 12 -15.997 -3.860 -4.767 0.41 0.00 C ATOM 204 O ASP A 12 -15.151 -4.287 -5.554 0.81 0.00 O ATOM 205 CB ASP A 12 -15.670 -1.481 -4.079 1.00 0.00 C ATOM 206 CG ASP A 12 -16.079 -0.032 -4.253 1.00 0.00 C ATOM 207 OD1 ASP A 12 -16.052 0.459 -5.402 0.08 0.00 O ATOM 208 OD2 ASP A 12 -16.422 0.615 -3.242 0.11 0.00 O ATOM 0 H ASP A 12 -18.075 -1.901 -3.575 0.26 0.00 H new ATOM 0 HA ASP A 12 -16.497 -2.149 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.736 -1.749 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.627 -1.598 -4.373 1.00 0.00 H new ATOM 213 N PHE A 13 -16.488 -4.590 -3.770 0.91 0.00 N ATOM 214 CA PHE A 13 -16.041 -5.960 -3.541 0.05 0.00 C ATOM 215 C PHE A 13 -16.433 -6.871 -4.701 0.53 0.00 C ATOM 216 O PHE A 13 -15.578 -7.517 -5.309 0.51 0.00 O ATOM 217 CB PHE A 13 -16.618 -6.501 -2.229 1.00 0.00 C ATOM 218 CG PHE A 13 -16.307 -7.953 -1.986 1.00 0.00 C ATOM 219 CD1 PHE A 13 -15.031 -8.452 -2.198 1.00 0.00 C ATOM 220 CD2 PHE A 13 -17.296 -8.821 -1.550 0.07 0.00 C ATOM 221 CE1 PHE A 13 -14.747 -9.786 -1.977 0.22 0.00 C ATOM 222 CE2 PHE A 13 -17.018 -10.156 -1.329 1.00 0.00 C ATOM 223 CZ PHE A 13 -15.742 -10.640 -1.543 0.51 0.00 C ATOM 0 H PHE A 13 -17.192 -4.258 -3.111 0.91 0.00 H new ATOM 0 HA PHE A 13 -14.953 -5.947 -3.471 0.05 0.00 H new ATOM 0 HB2 PHE A 13 -16.228 -5.911 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -17.700 -6.366 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.249 -7.790 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -18.296 -8.449 -1.381 0.07 0.00 H new ATOM 0 HE1 PHE A 13 -13.748 -10.161 -2.143 0.22 0.00 H new ATOM 0 HE2 PHE A 13 -17.798 -10.821 -0.989 1.00 0.00 H new ATOM 0 HZ PHE A 13 -15.523 -11.684 -1.371 0.51 0.00 H new ATOM 233 N LYS A 14 -17.728 -6.926 -5.002 1.00 0.00 N ATOM 234 CA LYS A 14 -18.221 -7.763 -6.092 0.57 0.00 C ATOM 235 C LYS A 14 -17.573 -7.358 -7.406 1.00 0.00 C ATOM 236 O LYS A 14 -17.333 -8.193 -8.279 0.96 0.00 O ATOM 237 CB LYS A 14 -19.744 -7.660 -6.231 0.72 0.00 C ATOM 238 CG LYS A 14 -20.434 -6.971 -5.067 1.00 0.00 C ATOM 239 CD LYS A 14 -20.414 -7.833 -3.814 0.06 0.00 C ATOM 240 CE LYS A 14 -21.259 -7.226 -2.706 1.00 0.00 C ATOM 241 NZ LYS A 14 -21.241 -8.059 -1.472 0.61 0.00 N ATOM 0 H LYS A 14 -18.452 -6.403 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 14 -17.960 -8.794 -5.855 0.57 0.00 H new ATOM 0 HB2 LYS A 14 -19.977 -7.119 -7.148 0.72 0.00 H new ATOM 0 HB3 LYS A 14 -20.156 -8.663 -6.339 0.72 0.00 H new ATOM 0 HG2 LYS A 14 -19.942 -6.020 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -21.465 -6.745 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -20.785 -8.830 -4.051 0.06 0.00 H new ATOM 0 HD3 LYS A 14 -19.387 -7.949 -3.468 0.06 0.00 H new ATOM 0 HE2 LYS A 14 -20.890 -6.227 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.286 -7.114 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.829 -7.610 -0.741 0.61 0.00 H new ATOM 0 HZ2 LYS A 14 -21.617 -9.005 -1.686 0.61 0.00 H new ATOM 0 HZ3 LYS A 14 -20.264 -8.145 -1.125 0.61 0.00 H new ATOM 255 N ARG A 15 -17.292 -6.067 -7.534 0.59 0.00 N ATOM 256 CA ARG A 15 -16.676 -5.537 -8.739 1.00 0.00 C ATOM 257 C ARG A 15 -15.286 -6.133 -8.945 0.05 0.00 C ATOM 258 O ARG A 15 -14.870 -6.386 -10.075 0.81 0.00 O ATOM 259 CB ARG A 15 -16.586 -4.011 -8.658 0.07 0.00 C ATOM 260 CG ARG A 15 -16.007 -3.363 -9.906 0.08 0.00 C ATOM 261 CD ARG A 15 -16.949 -3.489 -11.092 0.90 0.00 C ATOM 262 NE ARG A 15 -16.443 -2.784 -12.267 1.00 0.00 N ATOM 263 CZ ARG A 15 -17.036 -2.810 -13.456 0.94 0.00 C ATOM 264 NH1 ARG A 15 -18.143 -3.518 -13.634 0.06 0.00 N ATOM 265 NH2 ARG A 15 -16.518 -2.131 -14.471 0.64 0.00 N ATOM 0 H ARG A 15 -17.482 -5.369 -6.815 0.59 0.00 H new ATOM 0 HA ARG A 15 -17.298 -5.813 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.582 -3.607 -8.479 0.07 0.00 H new ATOM 0 HB3 ARG A 15 -15.972 -3.738 -7.800 0.07 0.00 H new ATOM 0 HG2 ARG A 15 -15.807 -2.310 -9.710 0.08 0.00 H new ATOM 0 HG3 ARG A 15 -15.052 -3.829 -10.148 0.08 0.00 H new ATOM 0 HD2 ARG A 15 -17.090 -4.543 -11.333 0.90 0.00 H new ATOM 0 HD3 ARG A 15 -17.927 -3.090 -10.823 0.90 0.00 H new ATOM 0 HE ARG A 15 -15.585 -2.241 -12.169 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.542 -4.045 -12.857 0.06 0.00 H new ATOM 0 HH12 ARG A 15 -18.596 -3.536 -14.548 0.06 0.00 H new ATOM 0 HH21 ARG A 15 -15.664 -1.589 -14.339 0.64 0.00 H new ATOM 0 HH22 ARG A 15 -16.973 -2.151 -15.383 0.64 0.00 H new ATOM 279 N LEU A 16 -14.576 -6.357 -7.841 1.00 0.00 N ATOM 280 CA LEU A 16 -13.229 -6.920 -7.895 0.12 0.00 C ATOM 281 C LEU A 16 -13.273 -8.416 -8.194 0.11 0.00 C ATOM 282 O LEU A 16 -12.385 -8.951 -8.857 0.40 0.00 O ATOM 283 CB LEU A 16 -12.501 -6.661 -6.574 0.05 0.00 C ATOM 284 CG LEU A 16 -11.001 -6.974 -6.578 0.25 0.00 C ATOM 285 CD1 LEU A 16 -10.266 -6.044 -5.626 1.00 0.00 C ATOM 286 CD2 LEU A 16 -10.754 -8.426 -6.194 0.31 0.00 C ATOM 0 H LEU A 16 -14.911 -6.157 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.684 -6.432 -8.703 0.12 0.00 H new ATOM 0 HB2 LEU A 16 -12.636 -5.614 -6.304 0.05 0.00 H new ATOM 0 HB3 LEU A 16 -12.977 -7.255 -5.794 0.05 0.00 H new ATOM 0 HG LEU A 16 -10.620 -6.816 -7.587 0.25 0.00 H new ATOM 0 HD11 LEU A 16 -9.201 -6.277 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.415 -5.011 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.654 -6.176 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.683 -8.628 -6.203 0.31 0.00 H new ATOM 0 HD22 LEU A 16 -11.150 -8.611 -5.195 0.31 0.00 H new ATOM 0 HD23 LEU A 16 -11.252 -9.081 -6.908 0.31 0.00 H new ATOM 298 N GLN A 17 -14.312 -9.086 -7.702 0.76 0.00 N ATOM 299 CA GLN A 17 -14.473 -10.517 -7.912 1.00 0.00 C ATOM 300 C GLN A 17 -14.639 -10.842 -9.393 0.62 0.00 C ATOM 301 O GLN A 17 -14.491 -11.994 -9.804 0.22 0.00 O ATOM 302 CB GLN A 17 -15.683 -11.024 -7.129 1.00 0.00 C ATOM 303 CG GLN A 17 -15.498 -10.987 -5.620 0.12 0.00 C ATOM 304 CD GLN A 17 -16.701 -11.530 -4.874 0.12 0.00 C ATOM 305 OE1 GLN A 17 -17.622 -10.788 -4.533 0.12 0.00 O ATOM 306 NE2 GLN A 17 -16.699 -12.834 -4.615 0.08 0.00 N ATOM 0 H GLN A 17 -15.057 -8.656 -7.153 0.76 0.00 H new ATOM 0 HA GLN A 17 -13.573 -11.016 -7.554 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -16.553 -10.423 -7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.898 -12.048 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.615 -11.567 -5.351 0.12 0.00 H new ATOM 0 HG3 GLN A 17 -15.312 -9.960 -5.305 0.12 0.00 H new ATOM 0 HE21 GLN A 17 -15.915 -13.413 -4.916 0.08 0.00 H new ATOM 0 HE22 GLN A 17 -17.482 -13.256 -4.115 0.08 0.00 H new ATOM 315 N GLU A 18 -14.946 -9.825 -10.192 0.66 0.00 N ATOM 316 CA GLU A 18 -15.135 -10.006 -11.626 0.11 0.00 C ATOM 317 C GLU A 18 -13.801 -9.972 -12.365 1.00 0.00 C ATOM 318 O GLU A 18 -13.562 -10.776 -13.267 0.30 0.00 O ATOM 319 CB GLU A 18 -16.066 -8.925 -12.177 0.16 0.00 C ATOM 320 CG GLU A 18 -17.472 -8.985 -11.604 0.51 0.00 C ATOM 321 CD GLU A 18 -18.194 -10.269 -11.965 1.00 0.00 C ATOM 322 OE1 GLU A 18 -18.019 -11.272 -11.243 1.00 0.00 O ATOM 323 OE2 GLU A 18 -18.935 -10.270 -12.970 0.05 0.00 O ATOM 0 H GLU A 18 -15.069 -8.865 -9.869 0.66 0.00 H new ATOM 0 HA GLU A 18 -15.588 -10.984 -11.785 0.11 0.00 H new ATOM 0 HB2 GLU A 18 -15.638 -7.945 -11.965 0.16 0.00 H new ATOM 0 HB3 GLU A 18 -16.120 -9.022 -13.261 0.16 0.00 H new ATOM 0 HG2 GLU A 18 -17.423 -8.893 -10.519 0.51 0.00 H new ATOM 0 HG3 GLU A 18 -18.046 -8.134 -11.970 0.51 0.00 H new ATOM 330 N ASP A 19 -12.936 -9.041 -11.977 0.46 0.00 N ATOM 331 CA ASP A 19 -11.629 -8.903 -12.608 0.22 0.00 C ATOM 332 C ASP A 19 -10.605 -8.335 -11.623 1.00 0.00 C ATOM 333 O ASP A 19 -10.382 -7.125 -11.580 0.22 0.00 O ATOM 334 CB ASP A 19 -11.731 -8.002 -13.842 1.00 0.00 C ATOM 335 CG ASP A 19 -10.388 -7.770 -14.505 1.00 0.00 C ATOM 336 OD1 ASP A 19 -9.959 -8.635 -15.298 0.20 0.00 O ATOM 337 OD2 ASP A 19 -9.764 -6.723 -14.231 1.00 0.00 O ATOM 0 H ASP A 19 -13.116 -8.371 -11.229 0.46 0.00 H new ATOM 0 HA ASP A 19 -11.293 -9.893 -12.918 0.22 0.00 H new ATOM 0 HB2 ASP A 19 -12.414 -8.453 -14.561 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.160 -7.043 -13.553 1.00 0.00 H new ATOM 342 N PRO A 20 -9.976 -9.206 -10.811 0.11 0.00 N ATOM 343 CA PRO A 20 -8.973 -8.783 -9.826 0.05 0.00 C ATOM 344 C PRO A 20 -7.731 -8.183 -10.486 0.09 0.00 C ATOM 345 O PRO A 20 -7.325 -8.617 -11.563 0.19 0.00 O ATOM 346 CB PRO A 20 -8.613 -10.079 -9.094 0.31 0.00 C ATOM 347 CG PRO A 20 -8.997 -11.170 -10.033 0.67 0.00 C ATOM 348 CD PRO A 20 -10.196 -10.662 -10.779 0.09 0.00 C ATOM 0 HA PRO A 20 -9.356 -8.002 -9.169 0.05 0.00 H new ATOM 0 HB2 PRO A 20 -7.549 -10.117 -8.858 0.31 0.00 H new ATOM 0 HB3 PRO A 20 -9.152 -10.162 -8.150 0.31 0.00 H new ATOM 0 HG2 PRO A 20 -8.181 -11.403 -10.717 0.67 0.00 H new ATOM 0 HG3 PRO A 20 -9.232 -12.087 -9.492 0.67 0.00 H new ATOM 0 HD2 PRO A 20 -10.255 -11.083 -11.783 0.09 0.00 H new ATOM 0 HD3 PRO A 20 -11.126 -10.918 -10.271 0.09 0.00 H new ATOM 356 N PRO A 21 -7.110 -7.174 -9.845 0.23 0.00 N ATOM 357 CA PRO A 21 -5.911 -6.514 -10.379 0.26 0.00 C ATOM 358 C PRO A 21 -4.761 -7.490 -10.602 0.13 0.00 C ATOM 359 O PRO A 21 -4.548 -8.407 -9.810 0.19 0.00 O ATOM 360 CB PRO A 21 -5.541 -5.494 -9.298 0.76 0.00 C ATOM 361 CG PRO A 21 -6.797 -5.280 -8.525 0.05 0.00 C ATOM 362 CD PRO A 21 -7.521 -6.593 -8.554 1.00 0.00 C ATOM 0 HA PRO A 21 -6.101 -6.066 -11.355 0.26 0.00 H new ATOM 0 HB2 PRO A 21 -4.742 -5.869 -8.658 0.76 0.00 H new ATOM 0 HB3 PRO A 21 -5.185 -4.563 -9.739 0.76 0.00 H new ATOM 0 HG2 PRO A 21 -6.579 -4.976 -7.501 0.05 0.00 H new ATOM 0 HG3 PRO A 21 -7.401 -4.490 -8.971 0.05 0.00 H new ATOM 0 HD2 PRO A 21 -7.235 -7.229 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.601 -6.459 -8.498 1.00 0.00 H new ATOM 370 N VAL A 22 -4.023 -7.282 -11.688 0.23 0.00 N ATOM 371 CA VAL A 22 -2.890 -8.137 -12.016 1.00 0.00 C ATOM 372 C VAL A 22 -1.646 -7.705 -11.249 1.00 0.00 C ATOM 373 O VAL A 22 -1.176 -6.576 -11.393 0.55 0.00 O ATOM 374 CB VAL A 22 -2.585 -8.112 -13.527 0.36 0.00 C ATOM 375 CG1 VAL A 22 -1.432 -9.050 -13.860 0.19 0.00 C ATOM 376 CG2 VAL A 22 -3.826 -8.477 -14.328 0.08 0.00 C ATOM 0 H VAL A 22 -4.190 -6.529 -12.355 0.23 0.00 H new ATOM 0 HA VAL A 22 -3.161 -9.153 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.287 -7.100 -13.800 0.36 0.00 H new ATOM 0 HG11 VAL A 22 -1.234 -9.017 -14.931 0.19 0.00 H new ATOM 0 HG12 VAL A 22 -0.540 -8.738 -13.316 0.19 0.00 H new ATOM 0 HG13 VAL A 22 -1.696 -10.067 -13.571 0.19 0.00 H new ATOM 0 HG21 VAL A 22 -3.592 -8.454 -15.392 0.08 0.00 H new ATOM 0 HG22 VAL A 22 -4.157 -9.478 -14.051 0.08 0.00 H new ATOM 0 HG23 VAL A 22 -4.620 -7.761 -14.116 0.08 0.00 H new ATOM 386 N GLY A 23 -1.113 -8.610 -10.436 0.09 0.00 N ATOM 387 CA GLY A 23 0.072 -8.300 -9.655 0.28 0.00 C ATOM 388 C GLY A 23 -0.253 -8.004 -8.205 1.00 0.00 C ATOM 389 O GLY A 23 0.598 -8.160 -7.327 0.08 0.00 O ATOM 0 H GLY A 23 -1.479 -9.553 -10.303 0.09 0.00 H new ATOM 0 HA2 GLY A 23 0.766 -9.139 -9.705 0.28 0.00 H new ATOM 0 HA3 GLY A 23 0.578 -7.440 -10.094 0.28 0.00 H new ATOM 393 N VAL A 24 -1.486 -7.576 -7.952 0.24 0.00 N ATOM 394 CA VAL A 24 -1.923 -7.258 -6.598 1.00 0.00 C ATOM 395 C VAL A 24 -3.369 -7.687 -6.370 0.11 0.00 C ATOM 396 O VAL A 24 -4.191 -7.641 -7.284 0.27 0.00 O ATOM 397 CB VAL A 24 -1.794 -5.749 -6.308 1.00 0.00 C ATOM 398 CG1 VAL A 24 -0.333 -5.327 -6.313 0.44 0.00 C ATOM 399 CG2 VAL A 24 -2.595 -4.939 -7.319 1.00 0.00 C ATOM 0 H VAL A 24 -2.200 -7.442 -8.668 0.24 0.00 H new ATOM 0 HA VAL A 24 -1.274 -7.809 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.201 -5.553 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.262 -4.259 -6.107 0.44 0.00 H new ATOM 0 HG12 VAL A 24 0.209 -5.882 -5.547 0.44 0.00 H new ATOM 0 HG13 VAL A 24 0.103 -5.538 -7.289 0.44 0.00 H new ATOM 0 HG21 VAL A 24 -2.492 -3.877 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.221 -5.139 -8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.646 -5.221 -7.260 1.00 0.00 H new ATOM 409 N SER A 25 -3.671 -8.105 -5.145 0.07 0.00 N ATOM 410 CA SER A 25 -5.019 -8.544 -4.796 0.74 0.00 C ATOM 411 C SER A 25 -5.455 -7.953 -3.459 0.05 0.00 C ATOM 412 O SER A 25 -4.692 -7.952 -2.495 0.11 0.00 O ATOM 413 CB SER A 25 -5.081 -10.071 -4.735 0.20 0.00 C ATOM 414 OG SER A 25 -4.736 -10.647 -5.985 0.68 0.00 O ATOM 0 H SER A 25 -3.001 -8.149 -4.377 0.07 0.00 H new ATOM 0 HA SER A 25 -5.701 -8.190 -5.569 0.74 0.00 H new ATOM 0 HB2 SER A 25 -4.402 -10.435 -3.964 0.20 0.00 H new ATOM 0 HB3 SER A 25 -6.085 -10.386 -4.451 0.20 0.00 H new ATOM 0 HG SER A 25 -4.782 -11.624 -5.919 0.68 0.00 H new ATOM 420 N GLY A 26 -6.686 -7.452 -3.407 0.10 0.00 N ATOM 421 CA GLY A 26 -7.197 -6.866 -2.180 0.37 0.00 C ATOM 422 C GLY A 26 -8.659 -7.192 -1.947 0.19 0.00 C ATOM 423 O GLY A 26 -9.541 -6.611 -2.578 0.07 0.00 O ATOM 0 H GLY A 26 -7.338 -7.441 -4.191 0.10 0.00 H new ATOM 0 HA2 GLY A 26 -6.609 -7.227 -1.336 0.37 0.00 H new ATOM 0 HA3 GLY A 26 -7.071 -5.784 -2.218 0.37 0.00 H new ATOM 427 N ALA A 27 -8.916 -8.127 -1.035 1.00 0.00 N ATOM 428 CA ALA A 27 -10.280 -8.530 -0.717 1.00 0.00 C ATOM 429 C ALA A 27 -10.386 -9.012 0.728 0.34 0.00 C ATOM 430 O ALA A 27 -9.416 -9.519 1.291 0.23 0.00 O ATOM 431 CB ALA A 27 -10.742 -9.619 -1.673 1.00 0.00 C ATOM 0 H ALA A 27 -8.197 -8.618 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.928 -7.661 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.762 -9.912 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.710 -9.243 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.085 -10.484 -1.584 1.00 0.00 H new ATOM 437 N PRO A 28 -11.570 -8.857 1.353 0.47 0.00 N ATOM 438 CA PRO A 28 -11.790 -9.285 2.739 0.09 0.00 C ATOM 439 C PRO A 28 -11.801 -10.803 2.880 0.24 0.00 C ATOM 440 O PRO A 28 -12.466 -11.503 2.116 1.00 0.00 O ATOM 441 CB PRO A 28 -13.166 -8.707 3.076 1.00 0.00 C ATOM 442 CG PRO A 28 -13.855 -8.578 1.762 1.00 0.00 C ATOM 443 CD PRO A 28 -12.780 -8.252 0.764 1.00 0.00 C ATOM 0 HA PRO A 28 -10.996 -8.943 3.402 0.09 0.00 H new ATOM 0 HB2 PRO A 28 -13.717 -9.364 3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.079 -7.741 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.367 -9.503 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.611 -7.793 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.002 -8.672 -0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.667 -7.176 0.632 1.00 0.00 H new ATOM 451 N SER A 29 -11.063 -11.304 3.864 0.25 0.00 N ATOM 452 CA SER A 29 -10.987 -12.740 4.108 1.00 0.00 C ATOM 453 C SER A 29 -11.999 -13.171 5.166 0.32 0.00 C ATOM 454 O SER A 29 -12.964 -13.874 4.865 0.94 0.00 O ATOM 455 CB SER A 29 -9.572 -13.130 4.542 1.00 0.00 C ATOM 456 OG SER A 29 -9.171 -12.405 5.692 0.74 0.00 O ATOM 0 H SER A 29 -10.509 -10.737 4.506 0.25 0.00 H new ATOM 0 HA SER A 29 -11.228 -13.254 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.535 -14.199 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.873 -12.940 3.727 1.00 0.00 H new ATOM 0 HG SER A 29 -8.264 -12.674 5.949 0.74 0.00 H new ATOM 462 N GLU A 30 -11.775 -12.745 6.406 0.70 0.00 N ATOM 463 CA GLU A 30 -12.669 -13.085 7.508 1.00 0.00 C ATOM 464 C GLU A 30 -12.996 -11.847 8.338 0.40 0.00 C ATOM 465 O GLU A 30 -14.109 -11.703 8.844 0.45 0.00 O ATOM 466 CB GLU A 30 -12.036 -14.156 8.398 0.54 0.00 C ATOM 467 CG GLU A 30 -11.777 -15.471 7.681 0.24 0.00 C ATOM 468 CD GLU A 30 -11.040 -16.472 8.548 0.53 0.00 C ATOM 469 OE1 GLU A 30 -11.700 -17.146 9.367 1.00 0.00 O ATOM 470 OE2 GLU A 30 -9.804 -16.581 8.411 1.00 0.00 O ATOM 0 H GLU A 30 -10.981 -12.163 6.673 0.70 0.00 H new ATOM 0 HA GLU A 30 -13.594 -13.477 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.094 -13.777 8.794 0.54 0.00 H new ATOM 0 HB3 GLU A 30 -12.689 -14.340 9.251 0.54 0.00 H new ATOM 0 HG2 GLU A 30 -12.727 -15.901 7.364 0.24 0.00 H new ATOM 0 HG3 GLU A 30 -11.196 -15.280 6.779 0.24 0.00 H new ATOM 477 N ASN A 31 -12.015 -10.962 8.473 0.10 0.00 N ATOM 478 CA ASN A 31 -12.187 -9.731 9.235 0.11 0.00 C ATOM 479 C ASN A 31 -13.344 -8.902 8.682 0.26 0.00 C ATOM 480 O ASN A 31 -13.604 -8.912 7.479 0.22 0.00 O ATOM 481 CB ASN A 31 -10.896 -8.912 9.213 0.11 0.00 C ATOM 482 CG ASN A 31 -10.262 -8.874 7.837 0.06 0.00 C ATOM 483 OD1 ASN A 31 -10.946 -8.983 6.820 0.14 0.00 O ATOM 484 ND2 ASN A 31 -8.944 -8.719 7.798 0.41 0.00 N ATOM 0 H ASN A 31 -11.088 -11.075 8.062 0.10 0.00 H new ATOM 0 HA ASN A 31 -12.421 -9.999 10.265 0.11 0.00 H new ATOM 0 HB2 ASN A 31 -11.108 -7.894 9.541 0.11 0.00 H new ATOM 0 HB3 ASN A 31 -10.188 -9.335 9.925 0.11 0.00 H new ATOM 0 HD21 ASN A 31 -8.461 -8.686 6.900 0.41 0.00 H new ATOM 0 HD22 ASN A 31 -8.415 -8.632 8.666 0.41 0.00 H new ATOM 491 N ASN A 32 -14.039 -8.200 9.573 0.47 0.00 N ATOM 492 CA ASN A 32 -15.173 -7.364 9.187 0.11 0.00 C ATOM 493 C ASN A 32 -14.820 -6.466 8.003 1.00 0.00 C ATOM 494 O ASN A 32 -13.647 -6.239 7.710 0.54 0.00 O ATOM 495 CB ASN A 32 -15.626 -6.510 10.372 0.71 0.00 C ATOM 496 CG ASN A 32 -16.898 -5.741 10.077 0.36 0.00 C ATOM 497 OD1 ASN A 32 -16.857 -4.599 9.620 0.63 0.00 O ATOM 498 ND2 ASN A 32 -18.040 -6.367 10.337 0.24 0.00 N ATOM 0 H ASN A 32 -13.836 -8.194 10.572 0.47 0.00 H new ATOM 0 HA ASN A 32 -15.988 -8.022 8.885 0.11 0.00 H new ATOM 0 HB2 ASN A 32 -15.785 -7.151 11.239 0.71 0.00 H new ATOM 0 HB3 ASN A 32 -14.834 -5.809 10.635 0.71 0.00 H new ATOM 0 HD21 ASN A 32 -18.929 -5.901 10.158 0.24 0.00 H new ATOM 0 HD22 ASN A 32 -18.028 -7.314 10.716 0.24 0.00 H new ATOM 505 N ILE A 33 -15.848 -5.955 7.328 1.00 0.00 N ATOM 506 CA ILE A 33 -15.654 -5.087 6.170 1.00 0.00 C ATOM 507 C ILE A 33 -14.733 -3.911 6.497 0.88 0.00 C ATOM 508 O ILE A 33 -14.101 -3.343 5.608 0.10 0.00 O ATOM 509 CB ILE A 33 -17.002 -4.549 5.642 1.00 0.00 C ATOM 510 CG1 ILE A 33 -16.794 -3.780 4.333 1.00 0.00 C ATOM 511 CG2 ILE A 33 -17.667 -3.662 6.686 1.00 0.00 C ATOM 512 CD1 ILE A 33 -18.086 -3.418 3.631 0.39 0.00 C ATOM 0 H ILE A 33 -16.825 -6.128 7.564 1.00 0.00 H new ATOM 0 HA ILE A 33 -15.185 -5.695 5.397 1.00 0.00 H new ATOM 0 HB ILE A 33 -17.660 -5.395 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -16.236 -2.867 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.181 -4.381 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.616 -3.291 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -17.847 -4.240 7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -17.015 -2.819 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -17.861 -2.876 2.713 0.39 0.00 H new ATOM 0 HD12 ILE A 33 -18.636 -4.327 3.390 0.39 0.00 H new ATOM 0 HD13 ILE A 33 -18.692 -2.790 4.284 0.39 0.00 H new ATOM 524 N MET A 34 -14.660 -3.553 7.776 1.00 0.00 N ATOM 525 CA MET A 34 -13.811 -2.447 8.210 0.44 0.00 C ATOM 526 C MET A 34 -12.346 -2.729 7.897 0.14 0.00 C ATOM 527 O MET A 34 -11.609 -1.839 7.470 1.00 0.00 O ATOM 528 CB MET A 34 -13.985 -2.194 9.710 0.67 0.00 C ATOM 529 CG MET A 34 -15.382 -1.728 10.087 0.12 0.00 C ATOM 530 SD MET A 34 -15.562 -1.428 11.856 0.43 0.00 S ATOM 531 CE MET A 34 -14.378 -0.107 12.100 0.12 0.00 C ATOM 0 H MET A 34 -15.176 -4.010 8.528 1.00 0.00 H new ATOM 0 HA MET A 34 -14.116 -1.555 7.663 0.44 0.00 H new ATOM 0 HB2 MET A 34 -13.757 -3.111 10.254 0.67 0.00 H new ATOM 0 HB3 MET A 34 -13.261 -1.444 10.031 0.67 0.00 H new ATOM 0 HG2 MET A 34 -15.615 -0.813 9.542 0.12 0.00 H new ATOM 0 HG3 MET A 34 -16.108 -2.479 9.774 0.12 0.00 H new ATOM 0 HE1 MET A 34 -14.600 0.413 13.032 0.12 0.00 H new ATOM 0 HE2 MET A 34 -13.372 -0.524 12.147 0.12 0.00 H new ATOM 0 HE3 MET A 34 -14.441 0.596 11.269 0.12 0.00 H new ATOM 541 N GLN A 35 -11.931 -3.973 8.110 0.86 0.00 N ATOM 542 CA GLN A 35 -10.553 -4.376 7.853 1.00 0.00 C ATOM 543 C GLN A 35 -10.490 -5.390 6.715 0.61 0.00 C ATOM 544 O GLN A 35 -11.244 -6.361 6.694 1.00 0.00 O ATOM 545 CB GLN A 35 -9.931 -4.969 9.116 0.60 0.00 C ATOM 546 CG GLN A 35 -8.421 -5.093 9.039 1.00 0.00 C ATOM 547 CD GLN A 35 -7.782 -5.293 10.398 0.35 0.00 C ATOM 548 OE1 GLN A 35 -6.588 -4.743 10.568 0.06 0.00 O flip ATOM 549 NE2 GLN A 35 -8.359 -5.922 11.285 0.13 0.00 N flip ATOM 0 H GLN A 35 -12.530 -4.721 8.460 0.86 0.00 H new ATOM 0 HA GLN A 35 -9.988 -3.491 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.194 -4.345 9.970 0.60 0.00 H new ATOM 0 HB3 GLN A 35 -10.361 -5.954 9.296 0.60 0.00 H new ATOM 0 HG2 GLN A 35 -8.162 -5.932 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.010 -4.196 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.278 -6.328 11.107 0.13 0.00 H new ATOM 0 HE22 GLN A 35 -7.918 -6.037 12.198 0.13 0.00 H new ATOM 558 N TRP A 36 -9.588 -5.156 5.768 0.09 0.00 N ATOM 559 CA TRP A 36 -9.430 -6.049 4.624 1.00 0.00 C ATOM 560 C TRP A 36 -8.055 -6.710 4.634 0.16 0.00 C ATOM 561 O TRP A 36 -7.245 -6.468 5.527 1.00 0.00 O ATOM 562 CB TRP A 36 -9.629 -5.277 3.314 0.51 0.00 C ATOM 563 CG TRP A 36 -11.068 -5.017 2.969 0.42 0.00 C ATOM 564 CD1 TRP A 36 -12.126 -4.948 3.832 0.07 0.00 C ATOM 565 CD2 TRP A 36 -11.605 -4.789 1.660 1.00 0.00 C ATOM 566 NE1 TRP A 36 -13.285 -4.695 3.138 1.00 0.00 N ATOM 567 CE2 TRP A 36 -12.991 -4.593 1.804 0.13 0.00 C ATOM 568 CE3 TRP A 36 -11.046 -4.732 0.379 1.00 0.00 C ATOM 569 CZ2 TRP A 36 -13.825 -4.344 0.716 0.58 0.00 C ATOM 570 CZ3 TRP A 36 -11.875 -4.485 -0.699 0.26 0.00 C ATOM 571 CH2 TRP A 36 -13.250 -4.294 -0.525 0.67 0.00 C ATOM 0 H TRP A 36 -8.955 -4.356 5.769 0.09 0.00 H new ATOM 0 HA TRP A 36 -10.188 -6.829 4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.105 -4.324 3.383 0.51 0.00 H new ATOM 0 HB3 TRP A 36 -9.167 -5.837 2.501 0.51 0.00 H new ATOM 0 HD1 TRP A 36 -12.061 -5.074 4.903 0.07 0.00 H new ATOM 0 HE1 TRP A 36 -14.213 -4.599 3.549 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -9.986 -4.878 0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.887 -4.196 0.847 0.58 0.00 H new ATOM 0 HZ3 TRP A 36 -11.454 -4.439 -1.693 0.26 0.00 H new ATOM 0 HH2 TRP A 36 -13.871 -4.103 -1.388 0.67 0.00 H new ATOM 582 N ASN A 37 -7.803 -7.551 3.637 0.17 0.00 N ATOM 583 CA ASN A 37 -6.528 -8.247 3.522 0.21 0.00 C ATOM 584 C ASN A 37 -6.029 -8.212 2.083 0.80 0.00 C ATOM 585 O ASN A 37 -6.591 -8.869 1.206 0.21 0.00 O ATOM 586 CB ASN A 37 -6.670 -9.697 3.993 0.10 0.00 C ATOM 587 CG ASN A 37 -5.401 -10.500 3.782 1.00 0.00 C ATOM 588 OD1 ASN A 37 -5.207 -11.108 2.730 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.531 -10.506 4.784 0.77 0.00 N ATOM 0 H ASN A 37 -8.468 -7.767 2.895 0.17 0.00 H new ATOM 0 HA ASN A 37 -5.801 -7.740 4.156 0.21 0.00 H new ATOM 0 HB2 ASN A 37 -6.932 -9.709 5.051 0.10 0.00 H new ATOM 0 HB3 ASN A 37 -7.491 -10.172 3.456 0.10 0.00 H new ATOM 0 HD21 ASN A 37 -3.660 -11.029 4.700 0.77 0.00 H new ATOM 0 HD22 ASN A 37 -4.734 -9.987 5.638 0.77 0.00 H new ATOM 596 N ALA A 38 -4.970 -7.444 1.843 0.11 0.00 N ATOM 597 CA ALA A 38 -4.405 -7.323 0.503 1.00 0.00 C ATOM 598 C ALA A 38 -2.931 -7.712 0.478 0.54 0.00 C ATOM 599 O ALA A 38 -2.212 -7.533 1.461 0.31 0.00 O ATOM 600 CB ALA A 38 -4.586 -5.906 -0.018 1.00 0.00 C ATOM 0 H ALA A 38 -4.487 -6.898 2.556 0.11 0.00 H new ATOM 0 HA ALA A 38 -4.941 -8.014 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.160 -5.829 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.648 -5.665 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.079 -5.206 0.647 1.00 0.00 H new ATOM 606 N VAL A 39 -2.491 -8.245 -0.657 0.09 0.00 N ATOM 607 CA VAL A 39 -1.102 -8.659 -0.829 0.44 0.00 C ATOM 608 C VAL A 39 -0.510 -8.037 -2.089 0.77 0.00 C ATOM 609 O VAL A 39 -1.085 -8.143 -3.173 1.00 0.00 O ATOM 610 CB VAL A 39 -0.977 -10.194 -0.914 0.69 0.00 C ATOM 611 CG1 VAL A 39 0.482 -10.610 -1.042 1.00 0.00 C ATOM 612 CG2 VAL A 39 -1.621 -10.847 0.300 0.79 0.00 C ATOM 0 H VAL A 39 -3.079 -8.401 -1.476 0.09 0.00 H new ATOM 0 HA VAL A 39 -0.550 -8.312 0.045 0.44 0.00 H new ATOM 0 HB VAL A 39 -1.504 -10.534 -1.806 0.69 0.00 H new ATOM 0 HG11 VAL A 39 0.547 -11.697 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.907 -10.172 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.038 -10.260 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.524 -11.930 0.225 0.79 0.00 H new ATOM 0 HG22 VAL A 39 -1.124 -10.500 1.206 0.79 0.00 H new ATOM 0 HG23 VAL A 39 -2.677 -10.579 0.340 0.79 0.00 H new ATOM 622 N ILE A 40 0.642 -7.391 -1.941 0.11 0.00 N ATOM 623 CA ILE A 40 1.305 -6.745 -3.068 0.50 0.00 C ATOM 624 C ILE A 40 2.608 -7.449 -3.425 1.00 0.00 C ATOM 625 O ILE A 40 3.468 -7.660 -2.568 0.09 0.00 O ATOM 626 CB ILE A 40 1.603 -5.262 -2.768 0.41 0.00 C ATOM 627 CG1 ILE A 40 0.305 -4.512 -2.446 0.18 0.00 C ATOM 628 CG2 ILE A 40 2.326 -4.613 -3.942 0.14 0.00 C ATOM 629 CD1 ILE A 40 0.518 -3.058 -2.079 0.73 0.00 C ATOM 0 H ILE A 40 1.135 -7.301 -1.053 0.11 0.00 H new ATOM 0 HA ILE A 40 0.620 -6.810 -3.913 0.50 0.00 H new ATOM 0 HB ILE A 40 2.256 -5.208 -1.897 0.41 0.00 H new ATOM 0 HG12 ILE A 40 -0.359 -4.566 -3.308 0.18 0.00 H new ATOM 0 HG13 ILE A 40 -0.200 -5.015 -1.622 0.18 0.00 H new ATOM 0 HG21 ILE A 40 2.528 -3.567 -3.712 0.14 0.00 H new ATOM 0 HG22 ILE A 40 3.267 -5.133 -4.122 0.14 0.00 H new ATOM 0 HG23 ILE A 40 1.701 -4.674 -4.833 0.14 0.00 H new ATOM 0 HD11 ILE A 40 -0.444 -2.592 -1.864 0.73 0.00 H new ATOM 0 HD12 ILE A 40 1.156 -2.995 -1.198 0.73 0.00 H new ATOM 0 HD13 ILE A 40 0.995 -2.539 -2.910 0.73 0.00 H new ATOM 641 N PHE A 41 2.749 -7.811 -4.697 1.00 0.00 N ATOM 642 CA PHE A 41 3.952 -8.483 -5.174 0.25 0.00 C ATOM 643 C PHE A 41 4.924 -7.475 -5.778 1.00 0.00 C ATOM 644 O PHE A 41 4.529 -6.611 -6.562 1.00 0.00 O ATOM 645 CB PHE A 41 3.595 -9.551 -6.209 1.00 0.00 C ATOM 646 CG PHE A 41 2.686 -10.627 -5.682 0.23 0.00 C ATOM 647 CD1 PHE A 41 2.992 -11.298 -4.509 0.06 0.00 C ATOM 648 CD2 PHE A 41 1.530 -10.970 -6.363 0.09 0.00 C ATOM 649 CE1 PHE A 41 2.159 -12.289 -4.024 0.38 0.00 C ATOM 650 CE2 PHE A 41 0.693 -11.961 -5.884 0.28 0.00 C ATOM 651 CZ PHE A 41 1.009 -12.621 -4.714 0.58 0.00 C ATOM 0 H PHE A 41 2.044 -7.650 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 41 4.432 -8.966 -4.323 0.25 0.00 H new ATOM 0 HB2 PHE A 41 3.117 -9.071 -7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.513 -10.011 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.891 -11.044 -3.968 0.06 0.00 H new ATOM 0 HD2 PHE A 41 1.279 -10.457 -7.280 0.09 0.00 H new ATOM 0 HE1 PHE A 41 2.407 -12.803 -3.107 0.38 0.00 H new ATOM 0 HE2 PHE A 41 -0.206 -12.218 -6.424 0.28 0.00 H new ATOM 0 HZ PHE A 41 0.358 -13.396 -4.338 0.58 0.00 H new ATOM 661 N GLY A 42 6.195 -7.591 -5.407 0.08 0.00 N ATOM 662 CA GLY A 42 7.205 -6.680 -5.920 0.07 0.00 C ATOM 663 C GLY A 42 7.260 -6.664 -7.439 1.00 0.00 C ATOM 664 O GLY A 42 7.162 -7.715 -8.071 0.89 0.00 O ATOM 0 H GLY A 42 6.545 -8.299 -4.761 0.08 0.00 H new ATOM 0 HA2 GLY A 42 6.999 -5.673 -5.557 0.07 0.00 H new ATOM 0 HA3 GLY A 42 8.181 -6.967 -5.528 0.07 0.00 H new ATOM 668 N PRO A 43 7.416 -5.476 -8.060 0.12 0.00 N ATOM 669 CA PRO A 43 7.482 -5.354 -9.520 0.83 0.00 C ATOM 670 C PRO A 43 8.749 -5.977 -10.097 0.08 0.00 C ATOM 671 O PRO A 43 9.667 -6.337 -9.361 0.72 0.00 O ATOM 672 CB PRO A 43 7.475 -3.841 -9.757 0.18 0.00 C ATOM 673 CG PRO A 43 8.003 -3.255 -8.494 0.09 0.00 C ATOM 674 CD PRO A 43 7.541 -4.165 -7.392 0.49 0.00 C ATOM 0 HA PRO A 43 6.659 -5.877 -10.007 0.83 0.00 H new ATOM 0 HB2 PRO A 43 8.099 -3.571 -10.609 0.18 0.00 H new ATOM 0 HB3 PRO A 43 6.469 -3.479 -9.971 0.18 0.00 H new ATOM 0 HG2 PRO A 43 9.091 -3.192 -8.518 0.09 0.00 H new ATOM 0 HG3 PRO A 43 7.628 -2.242 -8.347 0.09 0.00 H new ATOM 0 HD2 PRO A 43 8.258 -4.199 -6.572 0.49 0.00 H new ATOM 0 HD3 PRO A 43 6.591 -3.836 -6.971 0.49 0.00 H new ATOM 682 N GLU A 44 8.791 -6.099 -11.422 0.20 0.00 N ATOM 683 CA GLU A 44 9.942 -6.680 -12.101 1.00 0.00 C ATOM 684 C GLU A 44 11.069 -5.659 -12.236 0.22 0.00 C ATOM 685 O GLU A 44 10.827 -4.484 -12.512 0.23 0.00 O ATOM 686 CB GLU A 44 9.538 -7.194 -13.484 0.12 0.00 C ATOM 687 CG GLU A 44 10.682 -7.830 -14.258 1.00 0.00 C ATOM 688 CD GLU A 44 11.233 -9.066 -13.574 0.10 0.00 C ATOM 689 OE1 GLU A 44 10.718 -10.172 -13.844 0.75 0.00 O ATOM 690 OE2 GLU A 44 12.179 -8.929 -12.772 1.00 0.00 O ATOM 0 H GLU A 44 8.040 -5.802 -12.045 0.20 0.00 H new ATOM 0 HA GLU A 44 10.302 -7.515 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.737 -7.925 -13.371 0.12 0.00 H new ATOM 0 HB3 GLU A 44 9.134 -6.366 -14.066 0.12 0.00 H new ATOM 0 HG2 GLU A 44 10.336 -8.096 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.482 -7.100 -14.381 1.00 0.00 H new ATOM 697 N GLY A 45 12.301 -6.119 -12.040 0.63 0.00 N ATOM 698 CA GLY A 45 13.449 -5.237 -12.142 0.55 0.00 C ATOM 699 C GLY A 45 13.769 -4.544 -10.833 0.16 0.00 C ATOM 700 O GLY A 45 14.477 -3.537 -10.813 0.38 0.00 O ATOM 0 H GLY A 45 12.525 -7.088 -11.812 0.63 0.00 H new ATOM 0 HA2 GLY A 45 14.317 -5.812 -12.466 0.55 0.00 H new ATOM 0 HA3 GLY A 45 13.259 -4.487 -12.909 0.55 0.00 H new ATOM 704 N THR A 46 13.249 -5.085 -9.734 0.18 0.00 N ATOM 705 CA THR A 46 13.483 -4.510 -8.414 0.06 0.00 C ATOM 706 C THR A 46 13.914 -5.584 -7.416 1.00 0.00 C ATOM 707 O THR A 46 13.594 -6.759 -7.587 0.10 0.00 O ATOM 708 CB THR A 46 12.220 -3.807 -7.878 1.00 0.00 C ATOM 709 OG1 THR A 46 11.156 -4.754 -7.729 0.94 0.00 O ATOM 710 CG2 THR A 46 11.784 -2.690 -8.812 0.29 0.00 C ATOM 0 H THR A 46 12.663 -5.920 -9.732 0.18 0.00 H new ATOM 0 HA THR A 46 14.282 -3.776 -8.524 0.06 0.00 H new ATOM 0 HB THR A 46 12.458 -3.374 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.904 -5.104 -8.609 0.94 0.00 H new ATOM 0 HG21 THR A 46 10.891 -2.209 -8.412 0.29 0.00 H new ATOM 0 HG22 THR A 46 12.584 -1.955 -8.898 0.29 0.00 H new ATOM 0 HG23 THR A 46 11.564 -3.104 -9.796 0.29 0.00 H new ATOM 718 N PRO A 47 14.653 -5.196 -6.356 0.10 0.00 N ATOM 719 CA PRO A 47 15.118 -6.139 -5.333 0.09 0.00 C ATOM 720 C PRO A 47 13.967 -6.715 -4.514 1.00 0.00 C ATOM 721 O PRO A 47 14.168 -7.598 -3.680 0.14 0.00 O ATOM 722 CB PRO A 47 16.030 -5.287 -4.444 0.89 0.00 C ATOM 723 CG PRO A 47 15.557 -3.890 -4.645 0.43 0.00 C ATOM 724 CD PRO A 47 15.092 -3.815 -6.071 0.09 0.00 C ATOM 0 HA PRO A 47 15.618 -7.001 -5.774 0.09 0.00 H new ATOM 0 HB2 PRO A 47 15.953 -5.584 -3.398 0.89 0.00 H new ATOM 0 HB3 PRO A 47 17.076 -5.396 -4.730 0.89 0.00 H new ATOM 0 HG2 PRO A 47 14.747 -3.649 -3.957 0.43 0.00 H new ATOM 0 HG3 PRO A 47 16.358 -3.175 -4.457 0.43 0.00 H new ATOM 0 HD2 PRO A 47 14.278 -3.101 -6.192 0.09 0.00 H new ATOM 0 HD3 PRO A 47 15.893 -3.501 -6.740 0.09 0.00 H new ATOM 732 N PHE A 48 12.763 -6.207 -4.757 0.22 0.00 N ATOM 733 CA PHE A 48 11.576 -6.668 -4.045 1.00 0.00 C ATOM 734 C PHE A 48 10.787 -7.656 -4.897 0.07 0.00 C ATOM 735 O PHE A 48 9.800 -8.232 -4.443 0.09 0.00 O ATOM 736 CB PHE A 48 10.681 -5.482 -3.678 0.14 0.00 C ATOM 737 CG PHE A 48 11.434 -4.308 -3.120 1.00 0.00 C ATOM 738 CD1 PHE A 48 11.705 -4.224 -1.765 0.08 0.00 C ATOM 739 CD2 PHE A 48 11.868 -3.289 -3.952 1.00 0.00 C ATOM 740 CE1 PHE A 48 12.397 -3.145 -1.249 1.00 0.00 C ATOM 741 CE2 PHE A 48 12.559 -2.207 -3.442 0.11 0.00 C ATOM 742 CZ PHE A 48 12.823 -2.133 -2.090 0.13 0.00 C ATOM 0 H PHE A 48 12.583 -5.474 -5.443 0.22 0.00 H new ATOM 0 HA PHE A 48 11.902 -7.168 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.134 -5.163 -4.565 0.14 0.00 H new ATOM 0 HB3 PHE A 48 9.941 -5.809 -2.947 0.14 0.00 H new ATOM 0 HD1 PHE A 48 11.372 -5.010 -1.104 0.08 0.00 H new ATOM 0 HD2 PHE A 48 11.664 -3.341 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.605 -3.092 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.892 -1.419 -4.101 0.11 0.00 H new ATOM 0 HZ PHE A 48 13.361 -1.287 -1.689 0.13 0.00 H new ATOM 752 N GLU A 49 11.231 -7.844 -6.135 1.00 0.00 N ATOM 753 CA GLU A 49 10.566 -8.752 -7.061 0.28 0.00 C ATOM 754 C GLU A 49 10.466 -10.164 -6.482 0.34 0.00 C ATOM 755 O GLU A 49 9.505 -10.888 -6.749 1.00 0.00 O ATOM 756 CB GLU A 49 11.310 -8.781 -8.402 0.16 0.00 C ATOM 757 CG GLU A 49 12.625 -9.544 -8.362 0.13 0.00 C ATOM 758 CD GLU A 49 13.294 -9.622 -9.721 1.00 0.00 C ATOM 759 OE1 GLU A 49 12.930 -10.520 -10.510 0.10 0.00 O ATOM 760 OE2 GLU A 49 14.180 -8.786 -9.998 0.10 0.00 O ATOM 0 H GLU A 49 12.052 -7.377 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 49 9.553 -8.383 -7.222 0.28 0.00 H new ATOM 0 HB2 GLU A 49 10.663 -9.231 -9.155 0.16 0.00 H new ATOM 0 HB3 GLU A 49 11.505 -7.757 -8.720 0.16 0.00 H new ATOM 0 HG2 GLU A 49 13.300 -9.061 -7.656 0.13 0.00 H new ATOM 0 HG3 GLU A 49 12.445 -10.553 -7.991 0.13 0.00 H new ATOM 767 N ASP A 50 11.463 -10.549 -5.689 0.18 0.00 N ATOM 768 CA ASP A 50 11.488 -11.876 -5.079 0.10 0.00 C ATOM 769 C ASP A 50 10.702 -11.905 -3.771 0.51 0.00 C ATOM 770 O ASP A 50 9.921 -12.828 -3.527 1.00 0.00 O ATOM 771 CB ASP A 50 12.933 -12.310 -4.822 1.00 0.00 C ATOM 772 CG ASP A 50 13.023 -13.713 -4.254 0.36 0.00 C ATOM 773 OD1 ASP A 50 12.950 -13.858 -3.015 0.80 0.00 O ATOM 774 OD2 ASP A 50 13.168 -14.666 -5.049 0.07 0.00 O ATOM 0 H ASP A 50 12.263 -9.962 -5.454 0.18 0.00 H new ATOM 0 HA ASP A 50 11.016 -12.570 -5.775 0.10 0.00 H new ATOM 0 HB2 ASP A 50 13.495 -12.262 -5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.402 -11.610 -4.130 1.00 0.00 H new ATOM 779 N GLY A 51 10.910 -10.893 -2.934 0.46 0.00 N ATOM 780 CA GLY A 51 10.225 -10.832 -1.655 0.23 0.00 C ATOM 781 C GLY A 51 8.929 -10.044 -1.711 0.11 0.00 C ATOM 782 O GLY A 51 8.930 -8.857 -2.033 0.31 0.00 O ATOM 0 H GLY A 51 11.541 -10.113 -3.119 0.46 0.00 H new ATOM 0 HA2 GLY A 51 10.013 -11.845 -1.315 0.23 0.00 H new ATOM 0 HA3 GLY A 51 10.887 -10.380 -0.916 0.23 0.00 H new ATOM 786 N THR A 52 7.823 -10.710 -1.391 0.06 0.00 N ATOM 787 CA THR A 52 6.512 -10.070 -1.398 0.12 0.00 C ATOM 788 C THR A 52 6.235 -9.376 -0.067 0.84 0.00 C ATOM 789 O THR A 52 6.822 -9.722 0.958 1.00 0.00 O ATOM 790 CB THR A 52 5.390 -11.091 -1.674 1.00 0.00 C ATOM 791 OG1 THR A 52 4.113 -10.444 -1.617 1.00 0.00 O ATOM 792 CG2 THR A 52 5.430 -12.231 -0.667 0.38 0.00 C ATOM 0 H THR A 52 7.809 -11.694 -1.123 0.06 0.00 H new ATOM 0 HA THR A 52 6.524 -9.329 -2.198 0.12 0.00 H new ATOM 0 HB THR A 52 5.546 -11.504 -2.671 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.534 -10.801 -2.322 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.628 -12.937 -0.884 0.38 0.00 H new ATOM 0 HG22 THR A 52 6.391 -12.742 -0.733 0.38 0.00 H new ATOM 0 HG23 THR A 52 5.300 -11.832 0.339 0.38 0.00 H new ATOM 800 N PHE A 53 5.336 -8.397 -0.090 0.05 0.00 N ATOM 801 CA PHE A 53 4.983 -7.654 1.117 0.35 0.00 C ATOM 802 C PHE A 53 3.476 -7.651 1.342 0.19 0.00 C ATOM 803 O PHE A 53 2.695 -7.592 0.392 0.10 0.00 O ATOM 804 CB PHE A 53 5.500 -6.218 1.035 0.10 0.00 C ATOM 805 CG PHE A 53 6.981 -6.099 1.262 1.00 0.00 C ATOM 806 CD1 PHE A 53 7.485 -5.936 2.542 0.07 0.00 C ATOM 807 CD2 PHE A 53 7.865 -6.152 0.198 0.43 0.00 C ATOM 808 CE1 PHE A 53 8.847 -5.827 2.756 0.11 0.00 C ATOM 809 CE2 PHE A 53 9.226 -6.043 0.405 0.44 0.00 C ATOM 810 CZ PHE A 53 9.718 -5.881 1.685 0.61 0.00 C ATOM 0 H PHE A 53 4.839 -8.099 -0.929 0.05 0.00 H new ATOM 0 HA PHE A 53 5.455 -8.154 1.963 0.35 0.00 H new ATOM 0 HB2 PHE A 53 5.257 -5.808 0.055 0.10 0.00 H new ATOM 0 HB3 PHE A 53 4.977 -5.610 1.773 0.10 0.00 H new ATOM 0 HD1 PHE A 53 6.807 -5.894 3.382 0.07 0.00 H new ATOM 0 HD2 PHE A 53 7.486 -6.280 -0.805 0.43 0.00 H new ATOM 0 HE1 PHE A 53 9.229 -5.700 3.758 0.11 0.00 H new ATOM 0 HE2 PHE A 53 9.905 -6.084 -0.434 0.44 0.00 H new ATOM 0 HZ PHE A 53 10.782 -5.797 1.849 0.61 0.00 H new ATOM 820 N LYS A 54 3.076 -7.713 2.607 0.26 0.00 N ATOM 821 CA LYS A 54 1.665 -7.719 2.969 0.30 0.00 C ATOM 822 C LYS A 54 1.287 -6.429 3.688 0.09 0.00 C ATOM 823 O LYS A 54 2.074 -5.884 4.461 0.09 0.00 O ATOM 824 CB LYS A 54 1.355 -8.926 3.855 0.59 0.00 C ATOM 825 CG LYS A 54 1.662 -10.257 3.188 0.48 0.00 C ATOM 826 CD LYS A 54 1.466 -11.421 4.146 0.40 0.00 C ATOM 827 CE LYS A 54 1.793 -12.750 3.482 0.74 0.00 C ATOM 828 NZ LYS A 54 1.669 -13.892 4.429 0.21 0.00 N ATOM 0 H LYS A 54 3.713 -7.760 3.402 0.26 0.00 H new ATOM 0 HA LYS A 54 1.075 -7.788 2.055 0.30 0.00 H new ATOM 0 HB2 LYS A 54 1.931 -8.848 4.777 0.59 0.00 H new ATOM 0 HB3 LYS A 54 0.302 -8.902 4.134 0.59 0.00 H new ATOM 0 HG2 LYS A 54 1.016 -10.387 2.320 0.48 0.00 H new ATOM 0 HG3 LYS A 54 2.689 -10.254 2.824 0.48 0.00 H new ATOM 0 HD2 LYS A 54 2.101 -11.284 5.021 0.40 0.00 H new ATOM 0 HD3 LYS A 54 0.435 -11.433 4.499 0.40 0.00 H new ATOM 0 HE2 LYS A 54 1.124 -12.907 2.636 0.74 0.00 H new ATOM 0 HE3 LYS A 54 2.808 -12.717 3.085 0.74 0.00 H new ATOM 0 HZ1 LYS A 54 1.900 -14.778 3.936 0.21 0.00 H new ATOM 0 HZ2 LYS A 54 2.325 -13.756 5.224 0.21 0.00 H new ATOM 0 HZ3 LYS A 54 0.694 -13.940 4.789 0.21 0.00 H new ATOM 842 N LEU A 55 0.076 -5.946 3.427 0.70 0.00 N ATOM 843 CA LEU A 55 -0.408 -4.717 4.044 0.08 0.00 C ATOM 844 C LEU A 55 -1.924 -4.754 4.210 0.23 0.00 C ATOM 845 O LEU A 55 -2.619 -5.486 3.502 0.68 0.00 O ATOM 846 CB LEU A 55 0.027 -3.486 3.223 0.69 0.00 C ATOM 847 CG LEU A 55 -0.593 -3.316 1.821 0.71 0.00 C ATOM 848 CD1 LEU A 55 -0.616 -4.627 1.051 0.09 0.00 C ATOM 849 CD2 LEU A 55 -1.990 -2.723 1.913 0.10 0.00 C ATOM 0 H LEU A 55 -0.588 -6.388 2.792 0.70 0.00 H new ATOM 0 HA LEU A 55 0.037 -4.636 5.036 0.08 0.00 H new ATOM 0 HB2 LEU A 55 -0.204 -2.594 3.805 0.69 0.00 H new ATOM 0 HB3 LEU A 55 1.111 -3.521 3.111 0.69 0.00 H new ATOM 0 HG LEU A 55 0.041 -2.622 1.269 0.71 0.00 H new ATOM 0 HD11 LEU A 55 -1.060 -4.464 0.069 0.09 0.00 H new ATOM 0 HD12 LEU A 55 0.402 -4.997 0.932 0.09 0.00 H new ATOM 0 HD13 LEU A 55 -1.207 -5.361 1.599 0.09 0.00 H new ATOM 0 HD21 LEU A 55 -2.405 -2.613 0.911 0.10 0.00 H new ATOM 0 HD22 LEU A 55 -2.628 -3.384 2.500 0.10 0.00 H new ATOM 0 HD23 LEU A 55 -1.940 -1.746 2.394 0.10 0.00 H new ATOM 861 N VAL A 56 -2.431 -3.959 5.147 0.38 0.00 N ATOM 862 CA VAL A 56 -3.866 -3.908 5.414 0.09 0.00 C ATOM 863 C VAL A 56 -4.440 -2.523 5.125 0.12 0.00 C ATOM 864 O VAL A 56 -3.815 -1.504 5.422 0.26 0.00 O ATOM 865 CB VAL A 56 -4.170 -4.284 6.878 0.36 0.00 C ATOM 866 CG1 VAL A 56 -3.376 -3.404 7.832 1.00 0.00 C ATOM 867 CG2 VAL A 56 -5.661 -4.179 7.162 0.30 0.00 C ATOM 0 H VAL A 56 -1.871 -3.341 5.734 0.38 0.00 H new ATOM 0 HA VAL A 56 -4.337 -4.632 4.749 0.09 0.00 H new ATOM 0 HB VAL A 56 -3.867 -5.319 7.036 0.36 0.00 H new ATOM 0 HG11 VAL A 56 -3.604 -3.684 8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.310 -3.537 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.645 -2.360 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.853 -4.449 8.200 0.30 0.00 H new ATOM 0 HG22 VAL A 56 -5.994 -3.156 6.985 0.30 0.00 H new ATOM 0 HG23 VAL A 56 -6.205 -4.857 6.504 0.30 0.00 H new ATOM 877 N ILE A 57 -5.636 -2.497 4.544 1.00 0.00 N ATOM 878 CA ILE A 57 -6.305 -1.243 4.222 0.06 0.00 C ATOM 879 C ILE A 57 -7.499 -1.022 5.143 0.71 0.00 C ATOM 880 O ILE A 57 -8.509 -1.720 5.045 1.00 0.00 O ATOM 881 CB ILE A 57 -6.791 -1.207 2.758 0.38 0.00 C ATOM 882 CG1 ILE A 57 -5.637 -1.499 1.797 0.37 0.00 C ATOM 883 CG2 ILE A 57 -7.417 0.144 2.440 0.36 0.00 C ATOM 884 CD1 ILE A 57 -5.347 -2.974 1.628 1.00 0.00 C ATOM 0 H ILE A 57 -6.162 -3.332 4.287 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.572 -0.449 4.364 0.06 0.00 H new ATOM 0 HB ILE A 57 -7.548 -1.981 2.629 0.38 0.00 H new ATOM 0 HG12 ILE A 57 -5.869 -1.069 0.823 0.37 0.00 H new ATOM 0 HG13 ILE A 57 -4.738 -1.000 2.160 0.37 0.00 H new ATOM 0 HG21 ILE A 57 -7.755 0.154 1.404 0.36 0.00 H new ATOM 0 HG22 ILE A 57 -8.267 0.316 3.100 0.36 0.00 H new ATOM 0 HG23 ILE A 57 -6.678 0.931 2.588 0.36 0.00 H new ATOM 0 HD11 ILE A 57 -4.517 -3.104 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.083 -3.406 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.231 -3.476 1.236 1.00 0.00 H new ATOM 896 N GLU A 58 -7.375 -0.048 6.038 0.05 0.00 N ATOM 897 CA GLU A 58 -8.443 0.264 6.981 0.24 0.00 C ATOM 898 C GLU A 58 -9.426 1.267 6.385 0.67 0.00 C ATOM 899 O GLU A 58 -9.025 2.270 5.795 0.17 0.00 O ATOM 900 CB GLU A 58 -7.854 0.816 8.282 1.00 0.00 C ATOM 901 CG GLU A 58 -8.895 1.087 9.355 0.58 0.00 C ATOM 902 CD GLU A 58 -8.287 1.640 10.630 0.09 0.00 C ATOM 903 OE1 GLU A 58 -8.150 2.878 10.735 0.35 0.00 O ATOM 904 OE2 GLU A 58 -7.949 0.835 11.524 1.00 0.00 O ATOM 0 H GLU A 58 -6.546 0.539 6.130 0.05 0.00 H new ATOM 0 HA GLU A 58 -8.985 -0.657 7.196 0.24 0.00 H new ATOM 0 HB2 GLU A 58 -7.122 0.107 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.319 1.741 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.631 1.793 8.972 0.58 0.00 H new ATOM 0 HG3 GLU A 58 -9.427 0.163 9.581 0.58 0.00 H new ATOM 911 N PHE A 59 -10.718 0.988 6.546 0.10 0.00 N ATOM 912 CA PHE A 59 -11.766 1.864 6.032 0.08 0.00 C ATOM 913 C PHE A 59 -12.574 2.469 7.177 0.56 0.00 C ATOM 914 O PHE A 59 -12.538 1.972 8.303 0.41 0.00 O ATOM 915 CB PHE A 59 -12.693 1.091 5.093 0.07 0.00 C ATOM 916 CG PHE A 59 -12.001 0.556 3.871 1.00 0.00 C ATOM 917 CD1 PHE A 59 -11.835 1.352 2.749 0.07 0.00 C ATOM 918 CD2 PHE A 59 -11.519 -0.742 3.846 0.79 0.00 C ATOM 919 CE1 PHE A 59 -11.199 0.862 1.624 0.31 0.00 C ATOM 920 CE2 PHE A 59 -10.883 -1.238 2.725 0.17 0.00 C ATOM 921 CZ PHE A 59 -10.722 -0.434 1.611 1.00 0.00 C ATOM 0 H PHE A 59 -11.064 0.159 7.030 0.10 0.00 H new ATOM 0 HA PHE A 59 -11.291 2.672 5.476 0.08 0.00 H new ATOM 0 HB2 PHE A 59 -13.140 0.261 5.640 0.07 0.00 H new ATOM 0 HB3 PHE A 59 -13.508 1.744 4.782 0.07 0.00 H new ATOM 0 HD1 PHE A 59 -12.207 2.366 2.754 0.07 0.00 H new ATOM 0 HD2 PHE A 59 -11.642 -1.374 4.713 0.79 0.00 H new ATOM 0 HE1 PHE A 59 -11.075 1.492 0.756 0.31 0.00 H new ATOM 0 HE2 PHE A 59 -10.512 -2.252 2.718 0.17 0.00 H new ATOM 0 HZ PHE A 59 -10.224 -0.819 0.733 1.00 0.00 H new ATOM 931 N SER A 60 -13.302 3.541 6.882 1.00 0.00 N ATOM 932 CA SER A 60 -14.117 4.210 7.890 0.98 0.00 C ATOM 933 C SER A 60 -15.523 4.480 7.365 1.00 0.00 C ATOM 934 O SER A 60 -15.735 4.589 6.156 0.19 0.00 O ATOM 935 CB SER A 60 -13.459 5.522 8.320 0.17 0.00 C ATOM 936 OG SER A 60 -13.319 6.405 7.221 0.20 0.00 O ATOM 0 H SER A 60 -13.344 3.965 5.955 1.00 0.00 H new ATOM 0 HA SER A 60 -14.194 3.550 8.754 0.98 0.00 H new ATOM 0 HB2 SER A 60 -14.059 5.996 9.097 0.17 0.00 H new ATOM 0 HB3 SER A 60 -12.480 5.317 8.753 0.17 0.00 H new ATOM 0 HG SER A 60 -13.109 7.304 7.549 0.20 0.00 H new ATOM 942 N GLU A 61 -16.482 4.585 8.281 0.30 0.00 N ATOM 943 CA GLU A 61 -17.870 4.845 7.913 0.06 0.00 C ATOM 944 C GLU A 61 -18.126 6.343 7.789 0.83 0.00 C ATOM 945 O GLU A 61 -19.275 6.786 7.750 0.48 0.00 O ATOM 946 CB GLU A 61 -18.815 4.237 8.951 0.08 0.00 C ATOM 947 CG GLU A 61 -18.591 4.760 10.361 1.00 0.00 C ATOM 948 CD GLU A 61 -19.564 4.171 11.365 1.00 0.00 C ATOM 949 OE1 GLU A 61 -19.273 3.084 11.908 1.00 0.00 O ATOM 950 OE2 GLU A 61 -20.618 4.797 11.606 0.52 0.00 O ATOM 0 H GLU A 61 -16.323 4.494 9.284 0.30 0.00 H new ATOM 0 HA GLU A 61 -18.059 4.381 6.945 0.06 0.00 H new ATOM 0 HB2 GLU A 61 -19.844 4.441 8.656 0.08 0.00 H new ATOM 0 HB3 GLU A 61 -18.692 3.154 8.951 0.08 0.00 H new ATOM 0 HG2 GLU A 61 -17.572 4.531 10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.688 5.846 10.361 1.00 0.00 H new ATOM 957 N GLU A 62 -17.048 7.118 7.723 0.18 0.00 N ATOM 958 CA GLU A 62 -17.149 8.568 7.608 1.00 0.00 C ATOM 959 C GLU A 62 -17.876 8.974 6.329 0.12 0.00 C ATOM 960 O GLU A 62 -19.087 9.201 6.338 0.62 0.00 O ATOM 961 CB GLU A 62 -15.755 9.198 7.645 1.00 0.00 C ATOM 962 CG GLU A 62 -15.043 9.019 8.976 0.13 0.00 C ATOM 963 CD GLU A 62 -13.659 9.637 8.984 1.00 0.00 C ATOM 964 OE1 GLU A 62 -12.699 8.947 8.577 0.14 0.00 O ATOM 965 OE2 GLU A 62 -13.534 10.809 9.396 1.00 0.00 O ATOM 0 H GLU A 62 -16.092 6.764 7.747 0.18 0.00 H new ATOM 0 HA GLU A 62 -17.730 8.933 8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.146 8.760 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.840 10.263 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.642 9.469 9.768 0.13 0.00 H new ATOM 0 HG3 GLU A 62 -14.963 7.955 9.201 0.13 0.00 H new ATOM 972 N TYR A 63 -17.133 9.067 5.229 0.78 0.00 N ATOM 973 CA TYR A 63 -17.711 9.450 3.945 0.69 0.00 C ATOM 974 C TYR A 63 -17.060 8.675 2.799 1.00 0.00 C ATOM 975 O TYR A 63 -15.906 8.256 2.904 0.34 0.00 O ATOM 976 CB TYR A 63 -17.539 10.955 3.715 0.08 0.00 C ATOM 977 CG TYR A 63 -18.201 11.815 4.768 0.08 0.00 C ATOM 978 CD1 TYR A 63 -19.545 12.151 4.671 0.48 0.00 C ATOM 979 CD2 TYR A 63 -17.480 12.293 5.855 0.10 0.00 C ATOM 980 CE1 TYR A 63 -20.154 12.941 5.629 0.29 0.00 C ATOM 981 CE2 TYR A 63 -18.082 13.082 6.817 0.49 0.00 C ATOM 982 CZ TYR A 63 -19.419 13.403 6.698 0.27 0.00 C ATOM 983 OH TYR A 63 -20.021 14.187 7.654 0.55 0.00 O ATOM 0 H TYR A 63 -16.130 8.882 5.202 0.78 0.00 H new ATOM 0 HA TYR A 63 -18.774 9.208 3.967 0.69 0.00 H new ATOM 0 HB2 TYR A 63 -16.475 11.189 3.685 0.08 0.00 H new ATOM 0 HB3 TYR A 63 -17.949 11.213 2.739 0.08 0.00 H new ATOM 0 HD1 TYR A 63 -20.124 11.790 3.834 0.48 0.00 H new ATOM 0 HD2 TYR A 63 -16.433 12.044 5.950 0.10 0.00 H new ATOM 0 HE1 TYR A 63 -21.200 13.194 5.539 0.29 0.00 H new ATOM 0 HE2 TYR A 63 -17.509 13.445 7.657 0.49 0.00 H new ATOM 0 HH TYR A 63 -19.364 14.428 8.340 0.55 0.00 H new ATOM 993 N PRO A 64 -17.792 8.473 1.686 0.43 0.00 N ATOM 994 CA PRO A 64 -17.274 7.746 0.521 1.00 0.00 C ATOM 995 C PRO A 64 -16.089 8.459 -0.126 0.79 0.00 C ATOM 996 O PRO A 64 -15.340 7.859 -0.896 1.00 0.00 O ATOM 997 CB PRO A 64 -18.463 7.706 -0.449 0.19 0.00 C ATOM 998 CG PRO A 64 -19.661 8.014 0.385 0.09 0.00 C ATOM 999 CD PRO A 64 -19.177 8.924 1.475 0.11 0.00 C ATOM 0 HA PRO A 64 -16.903 6.759 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.343 8.436 -1.249 0.19 0.00 H new ATOM 0 HB3 PRO A 64 -18.553 6.728 -0.921 0.19 0.00 H new ATOM 0 HG2 PRO A 64 -20.438 8.495 -0.209 0.09 0.00 H new ATOM 0 HG3 PRO A 64 -20.094 7.103 0.799 0.09 0.00 H new ATOM 0 HD2 PRO A 64 -19.220 9.971 1.176 0.11 0.00 H new ATOM 0 HD3 PRO A 64 -19.777 8.826 2.380 0.11 0.00 H new ATOM 1007 N ASN A 65 -15.927 9.739 0.193 0.63 0.00 N ATOM 1008 CA ASN A 65 -14.834 10.532 -0.360 0.26 0.00 C ATOM 1009 C ASN A 65 -13.716 10.708 0.665 0.71 0.00 C ATOM 1010 O ASN A 65 -12.585 11.045 0.311 0.61 0.00 O ATOM 1011 CB ASN A 65 -15.347 11.899 -0.817 1.00 0.00 C ATOM 1012 CG ASN A 65 -14.237 12.793 -1.335 0.80 0.00 C ATOM 1013 OD1 ASN A 65 -13.918 12.780 -2.525 0.05 0.00 O ATOM 1014 ND2 ASN A 65 -13.638 13.573 -0.443 0.65 0.00 N ATOM 0 H ASN A 65 -16.538 10.249 0.831 0.63 0.00 H new ATOM 0 HA ASN A 65 -14.431 9.999 -1.221 0.26 0.00 H new ATOM 0 HB2 ASN A 65 -16.093 11.760 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.848 12.393 0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.882 14.193 -0.734 0.65 0.00 H new ATOM 0 HD22 ASN A 65 -13.934 13.552 0.533 0.65 0.00 H new ATOM 1021 N LYS A 66 -14.040 10.480 1.934 0.12 0.00 N ATOM 1022 CA LYS A 66 -13.063 10.610 3.011 0.62 0.00 C ATOM 1023 C LYS A 66 -11.833 9.739 2.738 1.00 0.00 C ATOM 1024 O LYS A 66 -11.959 8.528 2.557 0.07 0.00 O ATOM 1025 CB LYS A 66 -13.693 10.208 4.348 0.19 0.00 C ATOM 1026 CG LYS A 66 -12.740 10.308 5.528 1.00 0.00 C ATOM 1027 CD LYS A 66 -12.485 11.755 5.921 1.00 0.00 C ATOM 1028 CE LYS A 66 -11.461 11.855 7.040 0.08 0.00 C ATOM 1029 NZ LYS A 66 -10.151 11.269 6.645 0.09 0.00 N ATOM 0 H LYS A 66 -14.972 10.204 2.242 0.12 0.00 H new ATOM 0 HA LYS A 66 -12.749 11.653 3.060 0.62 0.00 H new ATOM 0 HB2 LYS A 66 -14.559 10.843 4.537 0.19 0.00 H new ATOM 0 HB3 LYS A 66 -14.059 9.184 4.274 0.19 0.00 H new ATOM 0 HG2 LYS A 66 -13.155 9.767 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.795 9.827 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.133 12.312 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.420 12.217 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.323 12.901 7.314 0.08 0.00 H new ATOM 0 HE3 LYS A 66 -11.837 11.341 7.924 0.08 0.00 H new ATOM 0 HZ1 LYS A 66 -9.904 10.499 7.299 0.09 0.00 H new ATOM 0 HZ2 LYS A 66 -10.216 10.893 5.677 0.09 0.00 H new ATOM 0 HZ3 LYS A 66 -9.416 12.004 6.682 0.09 0.00 H new ATOM 1043 N PRO A 67 -10.626 10.339 2.702 1.00 0.00 N ATOM 1044 CA PRO A 67 -9.384 9.597 2.450 0.16 0.00 C ATOM 1045 C PRO A 67 -9.203 8.429 3.420 0.20 0.00 C ATOM 1046 O PRO A 67 -9.091 8.634 4.630 0.48 0.00 O ATOM 1047 CB PRO A 67 -8.277 10.641 2.661 1.00 0.00 C ATOM 1048 CG PRO A 67 -8.936 11.794 3.341 0.73 0.00 C ATOM 1049 CD PRO A 67 -10.367 11.774 2.896 0.07 0.00 C ATOM 0 HA PRO A 67 -9.377 9.153 1.455 0.16 0.00 H new ATOM 0 HB2 PRO A 67 -7.468 10.237 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.839 10.945 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.863 11.701 4.425 0.73 0.00 H new ATOM 0 HG3 PRO A 67 -8.456 12.734 3.069 0.73 0.00 H new ATOM 0 HD2 PRO A 67 -11.030 12.207 3.645 0.07 0.00 H new ATOM 0 HD3 PRO A 67 -10.513 12.340 1.976 0.07 0.00 H new ATOM 1057 N PRO A 68 -9.175 7.183 2.905 0.54 0.00 N ATOM 1058 CA PRO A 68 -9.007 5.988 3.740 1.00 0.00 C ATOM 1059 C PRO A 68 -7.641 5.934 4.412 1.00 0.00 C ATOM 1060 O PRO A 68 -6.851 6.875 4.318 1.00 0.00 O ATOM 1061 CB PRO A 68 -9.159 4.828 2.751 0.07 0.00 C ATOM 1062 CG PRO A 68 -8.827 5.414 1.423 0.99 0.00 C ATOM 1063 CD PRO A 68 -9.301 6.839 1.476 0.12 0.00 C ATOM 0 HA PRO A 68 -9.728 5.965 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.488 4.006 2.999 0.07 0.00 H new ATOM 0 HB3 PRO A 68 -10.173 4.427 2.764 0.07 0.00 H new ATOM 0 HG2 PRO A 68 -7.755 5.365 1.231 0.99 0.00 H new ATOM 0 HG3 PRO A 68 -9.320 4.867 0.620 0.99 0.00 H new ATOM 0 HD2 PRO A 68 -8.691 7.490 0.850 0.12 0.00 H new ATOM 0 HD3 PRO A 68 -10.330 6.935 1.128 0.12 0.00 H new ATOM 1071 N THR A 69 -7.366 4.825 5.090 1.00 0.00 N ATOM 1072 CA THR A 69 -6.098 4.638 5.779 1.00 0.00 C ATOM 1073 C THR A 69 -5.475 3.301 5.405 1.00 0.00 C ATOM 1074 O THR A 69 -6.160 2.280 5.349 0.57 0.00 O ATOM 1075 CB THR A 69 -6.274 4.706 7.308 0.29 0.00 C ATOM 1076 OG1 THR A 69 -6.861 5.960 7.679 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.939 4.539 8.018 0.33 0.00 C ATOM 0 H THR A 69 -8.010 4.039 5.176 1.00 0.00 H new ATOM 0 HA THR A 69 -5.438 5.447 5.466 1.00 0.00 H new ATOM 0 HB THR A 69 -6.932 3.891 7.610 0.29 0.00 H new ATOM 0 HG1 THR A 69 -6.971 5.994 8.652 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.091 4.591 9.096 0.33 0.00 H new ATOM 0 HG22 THR A 69 -4.507 3.572 7.759 0.33 0.00 H new ATOM 0 HG23 THR A 69 -4.260 5.334 7.709 0.33 0.00 H new ATOM 1085 N VAL A 70 -4.173 3.312 5.146 1.00 0.00 N ATOM 1086 CA VAL A 70 -3.460 2.097 4.771 1.00 0.00 C ATOM 1087 C VAL A 70 -2.058 2.066 5.376 0.28 0.00 C ATOM 1088 O VAL A 70 -1.391 3.097 5.477 0.09 0.00 O ATOM 1089 CB VAL A 70 -3.358 1.961 3.239 0.08 0.00 C ATOM 1090 CG1 VAL A 70 -2.513 3.079 2.646 1.00 0.00 C ATOM 1091 CG2 VAL A 70 -2.800 0.598 2.863 1.00 0.00 C ATOM 0 H VAL A 70 -3.590 4.148 5.189 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.033 1.258 5.165 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.361 2.047 2.821 0.08 0.00 H new ATOM 0 HG11 VAL A 70 -2.458 2.959 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.967 4.042 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.509 3.039 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.734 0.518 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.807 0.479 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.458 -0.183 3.245 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.617 0.877 5.781 0.09 0.00 N ATOM 1102 CA ARG A 71 -0.293 0.711 6.373 0.08 0.00 C ATOM 1103 C ARG A 71 0.172 -0.739 6.288 1.00 0.00 C ATOM 1104 O ARG A 71 -0.641 -1.659 6.202 0.29 0.00 O ATOM 1105 CB ARG A 71 -0.299 1.171 7.833 0.19 0.00 C ATOM 1106 CG ARG A 71 -1.311 0.439 8.700 0.32 0.00 C ATOM 1107 CD ARG A 71 -1.241 0.908 10.145 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.215 0.226 10.994 0.05 0.00 N ATOM 1109 CZ ARG A 71 -2.327 0.437 12.302 0.70 0.00 C ATOM 1110 NH1 ARG A 71 -1.529 1.307 12.909 0.08 0.00 N ATOM 1111 NH2 ARG A 71 -3.238 -0.221 13.004 1.00 0.00 N ATOM 0 H ARG A 71 -2.158 0.015 5.710 0.09 0.00 H new ATOM 0 HA ARG A 71 0.404 1.328 5.806 0.08 0.00 H new ATOM 0 HB2 ARG A 71 0.697 1.029 8.254 0.19 0.00 H new ATOM 0 HB3 ARG A 71 -0.510 2.240 7.867 0.19 0.00 H new ATOM 0 HG2 ARG A 71 -2.315 0.605 8.310 0.32 0.00 H new ATOM 0 HG3 ARG A 71 -1.124 -0.634 8.654 0.32 0.00 H new ATOM 0 HD2 ARG A 71 -0.238 0.734 10.534 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.416 1.983 10.185 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.844 -0.449 10.559 0.05 0.00 H new ATOM 0 HH11 ARG A 71 -0.827 1.816 12.372 0.08 0.00 H new ATOM 0 HH12 ARG A 71 -1.618 1.466 13.913 0.08 0.00 H new ATOM 0 HH21 ARG A 71 -3.854 -0.890 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.324 -0.059 14.007 1.00 0.00 H new ATOM 1125 N PHE A 72 1.489 -0.934 6.314 0.71 0.00 N ATOM 1126 CA PHE A 72 2.073 -2.271 6.244 0.11 0.00 C ATOM 1127 C PHE A 72 2.034 -2.955 7.604 0.24 0.00 C ATOM 1128 O PHE A 72 2.286 -2.328 8.633 0.10 0.00 O ATOM 1129 CB PHE A 72 3.521 -2.200 5.753 0.15 0.00 C ATOM 1130 CG PHE A 72 3.654 -1.994 4.271 1.00 0.00 C ATOM 1131 CD1 PHE A 72 3.291 -0.793 3.685 0.20 0.00 C ATOM 1132 CD2 PHE A 72 4.150 -3.006 3.465 0.58 0.00 C ATOM 1133 CE1 PHE A 72 3.420 -0.603 2.323 1.00 0.00 C ATOM 1134 CE2 PHE A 72 4.281 -2.824 2.102 0.07 0.00 C ATOM 1135 CZ PHE A 72 3.915 -1.620 1.530 0.05 0.00 C ATOM 0 H PHE A 72 2.173 -0.181 6.383 0.71 0.00 H new ATOM 0 HA PHE A 72 1.481 -2.854 5.539 0.11 0.00 H new ATOM 0 HB2 PHE A 72 4.030 -1.386 6.270 0.15 0.00 H new ATOM 0 HB3 PHE A 72 4.033 -3.122 6.029 0.15 0.00 H new ATOM 0 HD1 PHE A 72 2.902 0.005 4.300 0.20 0.00 H new ATOM 0 HD2 PHE A 72 4.438 -3.948 3.908 0.58 0.00 H new ATOM 0 HE1 PHE A 72 3.134 0.339 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.669 -3.621 1.484 0.07 0.00 H new ATOM 0 HZ PHE A 72 4.016 -1.475 0.465 0.05 0.00 H new ATOM 1145 N LEU A 73 1.721 -4.244 7.601 1.00 0.00 N ATOM 1146 CA LEU A 73 1.667 -5.020 8.832 1.00 0.00 C ATOM 1147 C LEU A 73 3.056 -5.530 9.192 0.31 0.00 C ATOM 1148 O LEU A 73 3.360 -5.779 10.358 0.07 0.00 O ATOM 1149 CB LEU A 73 0.700 -6.194 8.679 0.20 0.00 C ATOM 1150 CG LEU A 73 -0.777 -5.812 8.580 0.45 0.00 C ATOM 1151 CD1 LEU A 73 -1.614 -7.018 8.179 0.57 0.00 C ATOM 1152 CD2 LEU A 73 -1.268 -5.237 9.900 0.08 0.00 C ATOM 0 H LEU A 73 1.500 -4.775 6.758 1.00 0.00 H new ATOM 0 HA LEU A 73 1.309 -4.375 9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.974 -6.756 7.786 0.20 0.00 H new ATOM 0 HB3 LEU A 73 0.829 -6.864 9.529 0.20 0.00 H new ATOM 0 HG LEU A 73 -0.884 -5.048 7.810 0.45 0.00 H new ATOM 0 HD11 LEU A 73 -2.663 -6.728 8.113 0.57 0.00 H new ATOM 0 HD12 LEU A 73 -1.279 -7.388 7.210 0.57 0.00 H new ATOM 0 HD13 LEU A 73 -1.501 -7.804 8.926 0.57 0.00 H new ATOM 0 HD21 LEU A 73 -2.321 -4.971 9.811 0.08 0.00 H new ATOM 0 HD22 LEU A 73 -1.147 -5.980 10.688 0.08 0.00 H new ATOM 0 HD23 LEU A 73 -0.688 -4.348 10.148 0.08 0.00 H new ATOM 1164 N SER A 74 3.893 -5.680 8.171 0.37 0.00 N ATOM 1165 CA SER A 74 5.259 -6.154 8.354 0.36 0.00 C ATOM 1166 C SER A 74 6.239 -4.985 8.368 0.33 0.00 C ATOM 1167 O SER A 74 5.835 -3.823 8.427 0.13 0.00 O ATOM 1168 CB SER A 74 5.631 -7.128 7.236 1.00 0.00 C ATOM 1169 OG SER A 74 5.551 -6.503 5.966 0.53 0.00 O ATOM 0 H SER A 74 3.646 -5.478 7.202 0.37 0.00 H new ATOM 0 HA SER A 74 5.317 -6.668 9.313 0.36 0.00 H new ATOM 0 HB2 SER A 74 6.642 -7.502 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.964 -7.990 7.263 1.00 0.00 H new ATOM 0 HG SER A 74 5.795 -7.147 5.269 0.53 0.00 H new ATOM 1175 N LYS A 75 7.529 -5.304 8.315 0.13 0.00 N ATOM 1176 CA LYS A 75 8.571 -4.284 8.315 0.76 0.00 C ATOM 1177 C LYS A 75 8.958 -3.911 6.887 0.91 0.00 C ATOM 1178 O LYS A 75 9.159 -4.784 6.042 0.57 0.00 O ATOM 1179 CB LYS A 75 9.801 -4.787 9.077 0.16 0.00 C ATOM 1180 CG LYS A 75 10.928 -3.768 9.179 1.00 0.00 C ATOM 1181 CD LYS A 75 10.753 -2.847 10.379 0.55 0.00 C ATOM 1182 CE LYS A 75 9.760 -1.731 10.097 0.37 0.00 C ATOM 1183 NZ LYS A 75 10.181 -0.891 8.943 0.33 0.00 N ATOM 0 H LYS A 75 7.877 -6.262 8.271 0.13 0.00 H new ATOM 0 HA LYS A 75 8.183 -3.395 8.812 0.76 0.00 H new ATOM 0 HB2 LYS A 75 9.498 -5.080 10.082 0.16 0.00 H new ATOM 0 HB3 LYS A 75 10.179 -5.683 8.585 0.16 0.00 H new ATOM 0 HG2 LYS A 75 11.882 -4.289 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.963 -3.173 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.412 -3.428 11.236 0.55 0.00 H new ATOM 0 HD3 LYS A 75 11.717 -2.416 10.649 0.55 0.00 H new ATOM 0 HE2 LYS A 75 8.779 -2.161 9.894 0.37 0.00 H new ATOM 0 HE3 LYS A 75 9.657 -1.105 10.983 0.37 0.00 H new ATOM 0 HZ1 LYS A 75 9.339 -0.553 8.434 0.33 0.00 H new ATOM 0 HZ2 LYS A 75 10.728 -0.076 9.288 0.33 0.00 H new ATOM 0 HZ3 LYS A 75 10.771 -1.456 8.299 0.33 0.00 H new ATOM 1197 N MET A 76 9.060 -2.611 6.622 0.10 0.00 N ATOM 1198 CA MET A 76 9.422 -2.132 5.292 0.19 0.00 C ATOM 1199 C MET A 76 10.264 -0.863 5.375 0.08 0.00 C ATOM 1200 O MET A 76 10.171 -0.104 6.340 1.00 0.00 O ATOM 1201 CB MET A 76 8.165 -1.872 4.454 1.00 0.00 C ATOM 1202 CG MET A 76 7.380 -0.642 4.883 0.60 0.00 C ATOM 1203 SD MET A 76 6.706 -0.783 6.548 1.00 0.00 S ATOM 1204 CE MET A 76 5.961 0.835 6.744 0.91 0.00 C ATOM 0 H MET A 76 8.898 -1.874 7.308 0.10 0.00 H new ATOM 0 HA MET A 76 10.016 -2.908 4.809 0.19 0.00 H new ATOM 0 HB2 MET A 76 8.454 -1.760 3.409 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.514 -2.745 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.029 0.232 4.832 0.60 0.00 H new ATOM 0 HG3 MET A 76 6.564 -0.475 4.180 0.60 0.00 H new ATOM 0 HE1 MET A 76 5.933 1.097 7.802 0.91 0.00 H new ATOM 0 HE2 MET A 76 6.550 1.575 6.202 0.91 0.00 H new ATOM 0 HE3 MET A 76 4.946 0.818 6.348 0.91 0.00 H new ATOM 1214 N PHE A 77 11.083 -0.638 4.354 0.90 0.00 N ATOM 1215 CA PHE A 77 11.941 0.540 4.301 0.51 0.00 C ATOM 1216 C PHE A 77 11.830 1.225 2.943 1.00 0.00 C ATOM 1217 O PHE A 77 12.241 0.671 1.923 1.00 0.00 O ATOM 1218 CB PHE A 77 13.397 0.152 4.576 0.83 0.00 C ATOM 1219 CG PHE A 77 14.327 1.329 4.671 0.11 0.00 C ATOM 1220 CD1 PHE A 77 14.475 2.014 5.866 0.17 0.00 C ATOM 1221 CD2 PHE A 77 15.053 1.749 3.568 0.52 0.00 C ATOM 1222 CE1 PHE A 77 15.330 3.096 5.959 0.49 0.00 C ATOM 1223 CE2 PHE A 77 15.908 2.831 3.655 1.00 0.00 C ATOM 1224 CZ PHE A 77 16.048 3.506 4.853 0.63 0.00 C ATOM 0 H PHE A 77 11.171 -1.258 3.549 0.90 0.00 H new ATOM 0 HA PHE A 77 11.611 1.238 5.070 0.51 0.00 H new ATOM 0 HB2 PHE A 77 13.444 -0.413 5.507 0.83 0.00 H new ATOM 0 HB3 PHE A 77 13.743 -0.511 3.783 0.83 0.00 H new ATOM 0 HD1 PHE A 77 13.916 1.699 6.735 0.17 0.00 H new ATOM 0 HD2 PHE A 77 14.949 1.225 2.630 0.52 0.00 H new ATOM 0 HE1 PHE A 77 15.437 3.621 6.897 0.49 0.00 H new ATOM 0 HE2 PHE A 77 16.467 3.149 2.787 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.717 4.351 4.924 0.63 0.00 H new ATOM 1234 N HIS A 78 11.269 2.430 2.937 0.63 0.00 N ATOM 1235 CA HIS A 78 11.100 3.188 1.703 0.10 0.00 C ATOM 1236 C HIS A 78 11.639 4.608 1.856 1.00 0.00 C ATOM 1237 O HIS A 78 11.767 5.111 2.974 0.15 0.00 O ATOM 1238 CB HIS A 78 9.622 3.225 1.309 0.29 0.00 C ATOM 1239 CG HIS A 78 9.068 1.886 0.939 1.00 0.00 C ATOM 1240 ND1 HIS A 78 8.474 1.026 1.834 0.08 0.00 N ATOM 1241 CD2 HIS A 78 9.026 1.260 -0.266 1.00 0.00 C ATOM 1242 CE1 HIS A 78 8.098 -0.070 1.163 0.89 0.00 C ATOM 1243 NE2 HIS A 78 8.408 0.022 -0.115 0.47 0.00 N ATOM 0 H HIS A 78 10.924 2.902 3.773 0.63 0.00 H new ATOM 0 HA HIS A 78 11.668 2.692 0.916 0.10 0.00 H new ATOM 0 HB2 HIS A 78 9.043 3.632 2.138 0.29 0.00 H new ATOM 0 HB3 HIS A 78 9.496 3.906 0.468 0.29 0.00 H new ATOM 0 HD1 HIS A 78 8.343 1.194 2.832 0.08 0.00 H new ATOM 0 HD2 HIS A 78 9.411 1.659 -1.193 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.604 -0.920 1.611 0.89 0.00 H new ATOM 1251 N PRO A 79 11.963 5.278 0.731 1.00 0.00 N ATOM 1252 CA PRO A 79 12.490 6.647 0.751 1.00 0.00 C ATOM 1253 C PRO A 79 11.503 7.647 1.345 0.38 0.00 C ATOM 1254 O PRO A 79 11.851 8.804 1.588 0.17 0.00 O ATOM 1255 CB PRO A 79 12.750 6.964 -0.727 0.12 0.00 C ATOM 1256 CG PRO A 79 11.908 5.998 -1.484 0.06 0.00 C ATOM 1257 CD PRO A 79 11.848 4.756 -0.642 0.49 0.00 C ATOM 0 HA PRO A 79 13.380 6.722 1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.479 7.993 -0.963 0.12 0.00 H new ATOM 0 HB3 PRO A 79 13.805 6.847 -0.976 0.12 0.00 H new ATOM 0 HG2 PRO A 79 10.910 6.401 -1.657 0.06 0.00 H new ATOM 0 HG3 PRO A 79 12.340 5.786 -2.462 0.06 0.00 H new ATOM 0 HD2 PRO A 79 10.914 4.213 -0.790 0.49 0.00 H new ATOM 0 HD3 PRO A 79 12.658 4.067 -0.881 0.49 0.00 H new ATOM 1265 N ASN A 80 10.272 7.202 1.581 0.18 0.00 N ATOM 1266 CA ASN A 80 9.246 8.070 2.149 0.59 0.00 C ATOM 1267 C ASN A 80 8.221 7.271 2.950 0.71 0.00 C ATOM 1268 O ASN A 80 7.542 6.396 2.413 0.24 0.00 O ATOM 1269 CB ASN A 80 8.544 8.858 1.039 0.19 0.00 C ATOM 1270 CG ASN A 80 7.892 7.958 0.005 0.10 0.00 C ATOM 1271 OD1 ASN A 80 8.356 6.848 -0.255 0.17 0.00 O ATOM 1272 ND2 ASN A 80 6.806 8.436 -0.594 0.90 0.00 N ATOM 0 H ASN A 80 9.962 6.250 1.389 0.18 0.00 H new ATOM 0 HA ASN A 80 9.738 8.766 2.828 0.59 0.00 H new ATOM 0 HB2 ASN A 80 7.786 9.505 1.481 0.19 0.00 H new ATOM 0 HB3 ASN A 80 9.268 9.507 0.546 0.19 0.00 H new ATOM 0 HD21 ASN A 80 6.324 7.877 -1.299 0.90 0.00 H new ATOM 0 HD22 ASN A 80 6.454 9.362 -0.349 0.90 0.00 H new ATOM 1279 N VAL A 81 8.119 7.580 4.241 0.14 0.00 N ATOM 1280 CA VAL A 81 7.173 6.904 5.122 0.42 0.00 C ATOM 1281 C VAL A 81 6.792 7.801 6.297 0.57 0.00 C ATOM 1282 O VAL A 81 7.573 8.659 6.709 1.00 0.00 O ATOM 1283 CB VAL A 81 7.744 5.573 5.655 0.82 0.00 C ATOM 1284 CG1 VAL A 81 8.879 5.822 6.639 1.00 0.00 C ATOM 1285 CG2 VAL A 81 6.646 4.738 6.298 1.00 0.00 C ATOM 0 H VAL A 81 8.682 8.296 4.700 0.14 0.00 H new ATOM 0 HA VAL A 81 6.284 6.686 4.531 0.42 0.00 H new ATOM 0 HB VAL A 81 8.148 5.015 4.810 0.82 0.00 H new ATOM 0 HG11 VAL A 81 9.264 4.868 7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.678 6.371 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.508 6.406 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.069 3.804 6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.207 5.291 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.875 4.520 5.559 1.00 0.00 H new ATOM 1295 N TYR A 82 5.591 7.603 6.831 1.00 0.00 N ATOM 1296 CA TYR A 82 5.120 8.399 7.959 0.97 0.00 C ATOM 1297 C TYR A 82 5.473 7.728 9.286 0.57 0.00 C ATOM 1298 O TYR A 82 5.904 6.576 9.314 0.12 0.00 O ATOM 1299 CB TYR A 82 3.609 8.615 7.864 0.09 0.00 C ATOM 1300 CG TYR A 82 3.195 9.474 6.691 0.08 0.00 C ATOM 1301 CD1 TYR A 82 3.440 10.842 6.689 0.25 0.00 C ATOM 1302 CD2 TYR A 82 2.560 8.919 5.586 0.27 0.00 C ATOM 1303 CE1 TYR A 82 3.064 11.632 5.620 1.00 0.00 C ATOM 1304 CE2 TYR A 82 2.184 9.704 4.512 0.14 0.00 C ATOM 1305 CZ TYR A 82 2.437 11.059 4.534 0.33 0.00 C ATOM 1306 OH TYR A 82 2.063 11.843 3.468 0.26 0.00 O ATOM 0 H TYR A 82 4.928 6.901 6.502 1.00 0.00 H new ATOM 0 HA TYR A 82 5.619 9.368 7.921 0.97 0.00 H new ATOM 0 HB2 TYR A 82 3.116 7.646 7.787 0.09 0.00 H new ATOM 0 HB3 TYR A 82 3.258 9.079 8.786 0.09 0.00 H new ATOM 0 HD1 TYR A 82 3.932 11.295 7.537 0.25 0.00 H new ATOM 0 HD2 TYR A 82 2.357 7.858 5.566 0.27 0.00 H new ATOM 0 HE1 TYR A 82 3.260 12.694 5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.694 9.258 3.659 0.14 0.00 H new ATOM 0 HH TYR A 82 2.514 11.529 2.657 0.26 0.00 H new ATOM 1316 N ALA A 83 5.291 8.461 10.380 1.00 0.00 N ATOM 1317 CA ALA A 83 5.595 7.940 11.708 0.20 0.00 C ATOM 1318 C ALA A 83 4.697 6.758 12.055 0.32 0.00 C ATOM 1319 O ALA A 83 5.139 5.796 12.684 1.00 0.00 O ATOM 1320 CB ALA A 83 5.455 9.038 12.752 0.05 0.00 C ATOM 0 H ALA A 83 4.935 9.417 10.373 1.00 0.00 H new ATOM 0 HA ALA A 83 6.627 7.588 11.704 0.20 0.00 H new ATOM 0 HB1 ALA A 83 5.685 8.634 13.738 0.05 0.00 H new ATOM 0 HB2 ALA A 83 6.146 9.849 12.522 0.05 0.00 H new ATOM 0 HB3 ALA A 83 4.434 9.419 12.745 0.05 0.00 H new ATOM 1326 N ASP A 84 3.437 6.836 11.642 0.15 0.00 N ATOM 1327 CA ASP A 84 2.477 5.772 11.906 0.24 0.00 C ATOM 1328 C ASP A 84 2.782 4.549 11.046 0.19 0.00 C ATOM 1329 O ASP A 84 2.222 3.473 11.257 0.24 0.00 O ATOM 1330 CB ASP A 84 1.054 6.261 11.635 0.27 0.00 C ATOM 1331 CG ASP A 84 0.004 5.226 11.989 0.13 0.00 C ATOM 1332 OD1 ASP A 84 -0.417 5.185 13.165 0.07 0.00 O ATOM 1333 OD2 ASP A 84 -0.396 4.456 11.091 0.25 0.00 O ATOM 0 H ASP A 84 3.057 7.627 11.122 0.15 0.00 H new ATOM 0 HA ASP A 84 2.559 5.489 12.955 0.24 0.00 H new ATOM 0 HB2 ASP A 84 0.871 7.170 12.208 0.27 0.00 H new ATOM 0 HB3 ASP A 84 0.959 6.524 10.582 0.27 0.00 H new ATOM 1338 N GLY A 85 3.677 4.726 10.078 0.72 0.00 N ATOM 1339 CA GLY A 85 4.045 3.635 9.196 0.11 0.00 C ATOM 1340 C GLY A 85 3.205 3.600 7.937 0.74 0.00 C ATOM 1341 O GLY A 85 3.273 2.647 7.160 1.00 0.00 O ATOM 0 H GLY A 85 4.154 5.608 9.889 0.72 0.00 H new ATOM 0 HA2 GLY A 85 5.097 3.730 8.925 0.11 0.00 H new ATOM 0 HA3 GLY A 85 3.937 2.690 9.728 0.11 0.00 H new ATOM 1345 N SER A 86 2.407 4.646 7.734 1.00 0.00 N ATOM 1346 CA SER A 86 1.548 4.737 6.560 0.07 0.00 C ATOM 1347 C SER A 86 2.366 5.061 5.315 0.33 0.00 C ATOM 1348 O SER A 86 3.546 5.400 5.408 1.00 0.00 O ATOM 1349 CB SER A 86 0.471 5.803 6.768 0.06 0.00 C ATOM 1350 OG SER A 86 -0.333 5.502 7.895 0.23 0.00 O ATOM 0 H SER A 86 2.339 5.442 8.369 1.00 0.00 H new ATOM 0 HA SER A 86 1.066 3.770 6.417 0.07 0.00 H new ATOM 0 HB2 SER A 86 0.941 6.778 6.902 0.06 0.00 H new ATOM 0 HB3 SER A 86 -0.155 5.870 5.878 0.06 0.00 H new ATOM 0 HG SER A 86 -1.013 6.199 8.008 0.23 0.00 H new ATOM 1356 N ILE A 87 1.732 4.954 4.153 0.16 0.00 N ATOM 1357 CA ILE A 87 2.400 5.237 2.891 1.00 0.00 C ATOM 1358 C ILE A 87 1.929 6.565 2.312 0.28 0.00 C ATOM 1359 O ILE A 87 0.769 6.946 2.474 0.34 0.00 O ATOM 1360 CB ILE A 87 2.153 4.120 1.854 1.00 0.00 C ATOM 1361 CG1 ILE A 87 2.341 2.742 2.491 0.80 0.00 C ATOM 1362 CG2 ILE A 87 3.084 4.287 0.663 1.00 0.00 C ATOM 1363 CD1 ILE A 87 1.097 2.207 3.169 1.00 0.00 C ATOM 0 H ILE A 87 0.756 4.673 4.060 0.16 0.00 H new ATOM 0 HA ILE A 87 3.468 5.290 3.104 1.00 0.00 H new ATOM 0 HB ILE A 87 1.124 4.198 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.656 2.037 1.722 0.80 0.00 H new ATOM 0 HG13 ILE A 87 3.147 2.797 3.223 0.80 0.00 H new ATOM 0 HG21 ILE A 87 2.897 3.492 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.904 5.254 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.119 4.235 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.309 1.227 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.792 2.890 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.294 2.118 2.438 1.00 0.00 H new ATOM 1375 N CYS A 88 2.834 7.267 1.639 0.51 0.00 N ATOM 1376 CA CYS A 88 2.508 8.555 1.037 1.00 0.00 C ATOM 1377 C CYS A 88 1.968 8.375 -0.378 0.11 0.00 C ATOM 1378 O CYS A 88 2.726 8.128 -1.315 1.00 0.00 O ATOM 1379 CB CYS A 88 3.740 9.461 1.017 1.00 0.00 C ATOM 1380 SG CYS A 88 3.453 11.078 0.263 1.00 0.00 S ATOM 0 H CYS A 88 3.798 6.966 1.497 0.51 0.00 H new ATOM 0 HA CYS A 88 1.733 9.024 1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.088 9.605 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 88 4.540 8.956 0.476 1.00 0.00 H new ATOM 0 HG CYS A 88 4.551 11.773 0.294 1.00 0.00 H new ATOM 1386 N LEU A 89 0.652 8.501 -0.521 0.05 0.00 N ATOM 1387 CA LEU A 89 0.006 8.353 -1.821 0.07 0.00 C ATOM 1388 C LEU A 89 -0.591 9.675 -2.289 0.15 0.00 C ATOM 1389 O LEU A 89 -1.433 10.262 -1.611 0.41 0.00 O ATOM 1390 CB LEU A 89 -1.092 7.292 -1.760 0.53 0.00 C ATOM 1391 CG LEU A 89 -0.638 5.859 -2.044 1.00 0.00 C ATOM 1392 CD1 LEU A 89 0.346 5.387 -0.987 0.10 0.00 C ATOM 1393 CD2 LEU A 89 -1.841 4.929 -2.110 0.10 0.00 C ATOM 0 H LEU A 89 0.012 8.705 0.247 0.05 0.00 H new ATOM 0 HA LEU A 89 0.769 8.039 -2.534 0.07 0.00 H new ATOM 0 HB2 LEU A 89 -1.547 7.321 -0.770 0.53 0.00 H new ATOM 0 HB3 LEU A 89 -1.870 7.557 -2.476 0.53 0.00 H new ATOM 0 HG LEU A 89 -0.132 5.842 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.656 4.366 -1.208 0.10 0.00 H new ATOM 0 HD12 LEU A 89 1.220 6.039 -0.986 0.10 0.00 H new ATOM 0 HD13 LEU A 89 -0.130 5.417 -0.007 0.10 0.00 H new ATOM 0 HD21 LEU A 89 -1.504 3.912 -2.313 0.10 0.00 H new ATOM 0 HD22 LEU A 89 -2.372 4.953 -1.158 0.10 0.00 H new ATOM 0 HD23 LEU A 89 -2.510 5.255 -2.906 0.10 0.00 H new ATOM 1405 N ASP A 90 -0.149 10.139 -3.454 0.08 0.00 N ATOM 1406 CA ASP A 90 -0.651 11.386 -4.015 0.19 0.00 C ATOM 1407 C ASP A 90 -2.134 11.264 -4.348 0.08 0.00 C ATOM 1408 O ASP A 90 -2.847 12.263 -4.431 0.58 0.00 O ATOM 1409 CB ASP A 90 0.138 11.759 -5.272 1.00 0.00 C ATOM 1410 CG ASP A 90 1.612 11.970 -4.987 0.35 0.00 C ATOM 1411 OD1 ASP A 90 1.993 13.111 -4.648 0.05 0.00 O ATOM 1412 OD2 ASP A 90 2.385 10.997 -5.103 0.36 0.00 O ATOM 0 H ASP A 90 0.554 9.671 -4.026 0.08 0.00 H new ATOM 0 HA ASP A 90 -0.523 12.173 -3.271 0.19 0.00 H new ATOM 0 HB2 ASP A 90 0.024 10.971 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.280 12.669 -5.704 1.00 0.00 H new ATOM 1417 N ILE A 91 -2.587 10.029 -4.538 0.72 0.00 N ATOM 1418 CA ILE A 91 -3.984 9.763 -4.861 0.15 0.00 C ATOM 1419 C ILE A 91 -4.879 9.966 -3.642 0.41 0.00 C ATOM 1420 O ILE A 91 -5.997 10.468 -3.758 0.67 0.00 O ATOM 1421 CB ILE A 91 -4.175 8.329 -5.400 0.19 0.00 C ATOM 1422 CG1 ILE A 91 -5.652 8.061 -5.696 0.48 0.00 C ATOM 1423 CG2 ILE A 91 -3.639 7.316 -4.401 1.00 0.00 C ATOM 1424 CD1 ILE A 91 -5.890 6.822 -6.532 0.16 0.00 C ATOM 0 H ILE A 91 -2.005 9.194 -4.474 0.72 0.00 H new ATOM 0 HA ILE A 91 -4.270 10.472 -5.637 0.15 0.00 H new ATOM 0 HB ILE A 91 -3.615 8.229 -6.330 0.19 0.00 H new ATOM 0 HG12 ILE A 91 -6.190 7.961 -4.753 0.48 0.00 H new ATOM 0 HG13 ILE A 91 -6.072 8.924 -6.213 0.48 0.00 H new ATOM 0 HG21 ILE A 91 -3.780 6.309 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.577 7.496 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.176 7.416 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.960 6.697 -6.701 0.16 0.00 H new ATOM 0 HD12 ILE A 91 -5.381 6.926 -7.490 0.16 0.00 H new ATOM 0 HD13 ILE A 91 -5.501 5.949 -6.008 0.16 0.00 H new ATOM 1436 N LEU A 92 -4.381 9.576 -2.472 0.29 0.00 N ATOM 1437 CA LEU A 92 -5.142 9.712 -1.234 1.00 0.00 C ATOM 1438 C LEU A 92 -5.345 11.178 -0.870 0.08 0.00 C ATOM 1439 O LEU A 92 -6.154 11.506 -0.002 0.49 0.00 O ATOM 1440 CB LEU A 92 -4.431 8.985 -0.090 0.06 0.00 C ATOM 1441 CG LEU A 92 -4.293 7.470 -0.262 0.21 0.00 C ATOM 1442 CD1 LEU A 92 -3.536 6.869 0.911 0.44 0.00 C ATOM 1443 CD2 LEU A 92 -5.661 6.817 -0.404 0.55 0.00 C ATOM 0 H LEU A 92 -3.455 9.164 -2.355 0.29 0.00 H new ATOM 0 HA LEU A 92 -6.121 9.260 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.435 9.413 0.027 0.06 0.00 H new ATOM 0 HB3 LEU A 92 -4.973 9.181 0.835 0.06 0.00 H new ATOM 0 HG LEU A 92 -3.727 7.279 -1.174 0.21 0.00 H new ATOM 0 HD11 LEU A 92 -3.447 5.791 0.773 0.44 0.00 H new ATOM 0 HD12 LEU A 92 -2.541 7.311 0.967 0.44 0.00 H new ATOM 0 HD13 LEU A 92 -4.076 7.073 1.836 0.44 0.00 H new ATOM 0 HD21 LEU A 92 -5.540 5.741 -0.525 0.55 0.00 H new ATOM 0 HD22 LEU A 92 -6.254 7.017 0.488 0.55 0.00 H new ATOM 0 HD23 LEU A 92 -6.170 7.225 -1.277 0.55 0.00 H new ATOM 1455 N GLN A 93 -4.606 12.058 -1.539 0.45 0.00 N ATOM 1456 CA GLN A 93 -4.706 13.489 -1.285 0.25 0.00 C ATOM 1457 C GLN A 93 -6.026 14.044 -1.812 0.57 0.00 C ATOM 1458 O GLN A 93 -6.974 13.295 -2.049 0.34 0.00 O ATOM 1459 CB GLN A 93 -3.531 14.224 -1.934 0.24 0.00 C ATOM 1460 CG GLN A 93 -2.172 13.750 -1.444 1.00 0.00 C ATOM 1461 CD GLN A 93 -2.004 13.910 0.055 0.40 0.00 C ATOM 1462 OE1 GLN A 93 -1.548 14.947 0.533 0.73 0.00 O ATOM 1463 NE2 GLN A 93 -2.374 12.876 0.805 1.00 0.00 N ATOM 0 H GLN A 93 -3.932 11.804 -2.261 0.45 0.00 H new ATOM 0 HA GLN A 93 -4.673 13.647 -0.207 0.25 0.00 H new ATOM 0 HB2 GLN A 93 -3.584 14.094 -3.015 0.24 0.00 H new ATOM 0 HB3 GLN A 93 -3.627 15.292 -1.736 0.24 0.00 H new ATOM 0 HG2 GLN A 93 -2.039 12.702 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.390 14.311 -1.955 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.748 12.035 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -2.284 12.924 1.820 1.00 0.00 H new ATOM 1472 N ASN A 94 -6.083 15.362 -1.996 1.00 0.00 N ATOM 1473 CA ASN A 94 -7.290 16.013 -2.496 0.20 0.00 C ATOM 1474 C ASN A 94 -7.577 15.604 -3.939 0.08 0.00 C ATOM 1475 O ASN A 94 -8.577 16.021 -4.524 0.60 0.00 O ATOM 1476 CB ASN A 94 -7.157 17.535 -2.395 0.19 0.00 C ATOM 1477 CG ASN A 94 -5.800 18.044 -2.849 0.22 0.00 C ATOM 1478 OD1 ASN A 94 -5.194 17.363 -3.815 0.07 0.00 O flip ATOM 1479 ND2 ASN A 94 -5.302 19.047 -2.337 1.00 0.00 N flip ATOM 0 H ASN A 94 -5.308 15.998 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.127 15.690 -1.877 0.20 0.00 H new ATOM 0 HB2 ASN A 94 -7.935 18.003 -2.999 0.19 0.00 H new ATOM 0 HB3 ASN A 94 -7.327 17.841 -1.363 0.19 0.00 H new ATOM 0 HD21 ASN A 94 -5.800 19.542 -1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.392 19.382 -2.653 1.00 0.00 H new ATOM 1486 N ARG A 95 -6.693 14.789 -4.505 0.37 0.00 N ATOM 1487 CA ARG A 95 -6.848 14.323 -5.877 0.46 0.00 C ATOM 1488 C ARG A 95 -7.702 13.060 -5.931 1.00 0.00 C ATOM 1489 O ARG A 95 -8.013 12.556 -7.011 0.42 0.00 O ATOM 1490 CB ARG A 95 -5.478 14.052 -6.500 1.00 0.00 C ATOM 1491 CG ARG A 95 -4.587 15.282 -6.579 0.32 0.00 C ATOM 1492 CD ARG A 95 -3.211 14.932 -7.124 0.17 0.00 C ATOM 1493 NE ARG A 95 -2.353 16.109 -7.250 1.00 0.00 N ATOM 1494 CZ ARG A 95 -1.137 16.077 -7.790 1.00 0.00 C ATOM 1495 NH1 ARG A 95 -0.638 14.932 -8.238 0.39 0.00 N ATOM 1496 NH2 ARG A 95 -0.421 17.188 -7.879 0.16 0.00 N ATOM 0 H ARG A 95 -5.860 14.437 -4.033 0.37 0.00 H new ATOM 0 HA ARG A 95 -7.352 15.104 -6.446 0.46 0.00 H new ATOM 0 HB2 ARG A 95 -4.970 13.283 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.618 13.651 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -5.054 16.032 -7.218 0.32 0.00 H new ATOM 0 HG3 ARG A 95 -4.486 15.725 -5.588 0.32 0.00 H new ATOM 0 HD2 ARG A 95 -2.735 14.206 -6.465 0.17 0.00 H new ATOM 0 HD3 ARG A 95 -3.318 14.456 -8.099 0.17 0.00 H new ATOM 0 HE ARG A 95 -2.705 17.002 -6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.187 14.075 -8.169 0.39 0.00 H new ATOM 0 HH12 ARG A 95 0.294 14.909 -8.652 0.39 0.00 H new ATOM 0 HH21 ARG A 95 -0.802 18.069 -7.533 0.16 0.00 H new ATOM 0 HH22 ARG A 95 0.511 17.162 -8.293 0.16 0.00 H new ATOM 1510 N TRP A 96 -8.077 12.550 -4.761 1.00 0.00 N ATOM 1511 CA TRP A 96 -8.895 11.345 -4.680 0.94 0.00 C ATOM 1512 C TRP A 96 -10.291 11.599 -5.240 0.05 0.00 C ATOM 1513 O TRP A 96 -10.831 12.697 -5.114 0.16 0.00 O ATOM 1514 CB TRP A 96 -8.987 10.857 -3.230 0.62 0.00 C ATOM 1515 CG TRP A 96 -10.002 9.771 -3.030 0.09 0.00 C ATOM 1516 CD1 TRP A 96 -11.164 9.858 -2.320 0.39 0.00 C ATOM 1517 CD2 TRP A 96 -9.948 8.437 -3.551 1.00 0.00 C ATOM 1518 NE1 TRP A 96 -11.837 8.660 -2.366 0.89 0.00 N ATOM 1519 CE2 TRP A 96 -11.111 7.772 -3.114 0.42 0.00 C ATOM 1520 CE3 TRP A 96 -9.033 7.741 -4.343 0.15 0.00 C ATOM 1521 CZ2 TRP A 96 -11.377 6.446 -3.443 1.00 0.00 C ATOM 1522 CZ3 TRP A 96 -9.298 6.424 -4.669 0.19 0.00 C ATOM 1523 CH2 TRP A 96 -10.462 5.788 -4.219 1.00 0.00 C ATOM 0 H TRP A 96 -7.828 12.952 -3.857 1.00 0.00 H new ATOM 0 HA TRP A 96 -8.419 10.570 -5.281 0.94 0.00 H new ATOM 0 HB2 TRP A 96 -8.009 10.493 -2.914 0.62 0.00 H new ATOM 0 HB3 TRP A 96 -9.236 11.700 -2.586 0.62 0.00 H new ATOM 0 HD1 TRP A 96 -11.505 10.740 -1.798 0.39 0.00 H new ATOM 0 HE1 TRP A 96 -12.731 8.465 -1.916 0.89 0.00 H new ATOM 0 HE3 TRP A 96 -8.133 8.223 -4.695 0.15 0.00 H new ATOM 0 HZ2 TRP A 96 -12.274 5.954 -3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.596 5.877 -5.281 0.19 0.00 H new ATOM 0 HH2 TRP A 96 -10.641 4.758 -4.490 1.00 0.00 H new ATOM 1534 N SER A 97 -10.864 10.574 -5.859 0.10 0.00 N ATOM 1535 CA SER A 97 -12.196 10.677 -6.440 0.63 0.00 C ATOM 1536 C SER A 97 -12.998 9.402 -6.183 0.07 0.00 C ATOM 1537 O SER A 97 -12.431 8.312 -6.113 0.24 0.00 O ATOM 1538 CB SER A 97 -12.097 10.935 -7.944 1.00 0.00 C ATOM 1539 OG SER A 97 -11.404 12.142 -8.211 1.00 0.00 O ATOM 0 H SER A 97 -10.425 9.660 -5.971 0.10 0.00 H new ATOM 0 HA SER A 97 -12.712 11.513 -5.967 0.63 0.00 H new ATOM 0 HB2 SER A 97 -11.583 10.103 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.097 10.984 -8.374 1.00 0.00 H new ATOM 0 HG SER A 97 -11.353 12.283 -9.180 1.00 0.00 H new ATOM 1545 N PRO A 98 -14.332 9.520 -6.037 1.00 0.00 N ATOM 1546 CA PRO A 98 -15.200 8.365 -5.788 0.71 0.00 C ATOM 1547 C PRO A 98 -15.364 7.488 -7.025 1.00 0.00 C ATOM 1548 O PRO A 98 -16.032 6.455 -6.982 0.26 0.00 O ATOM 1549 CB PRO A 98 -16.535 9.002 -5.403 1.00 0.00 C ATOM 1550 CG PRO A 98 -16.531 10.329 -6.078 0.18 0.00 C ATOM 1551 CD PRO A 98 -15.097 10.783 -6.102 0.12 0.00 C ATOM 0 HA PRO A 98 -14.792 7.704 -5.023 0.71 0.00 H new ATOM 0 HB2 PRO A 98 -17.375 8.392 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.626 9.108 -4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.932 10.253 -7.089 0.18 0.00 H new ATOM 0 HG3 PRO A 98 -17.156 11.042 -5.540 0.18 0.00 H new ATOM 0 HD2 PRO A 98 -14.869 11.344 -7.008 0.12 0.00 H new ATOM 0 HD3 PRO A 98 -14.868 11.434 -5.258 0.12 0.00 H new ATOM 1559 N THR A 99 -14.750 7.911 -8.126 0.82 0.00 N ATOM 1560 CA THR A 99 -14.824 7.166 -9.378 1.00 0.00 C ATOM 1561 C THR A 99 -13.883 5.966 -9.357 1.00 0.00 C ATOM 1562 O THR A 99 -14.160 4.936 -9.971 0.54 0.00 O ATOM 1563 CB THR A 99 -14.473 8.057 -10.584 0.22 0.00 C ATOM 1564 OG1 THR A 99 -13.142 8.567 -10.446 0.16 0.00 O ATOM 1565 CG2 THR A 99 -15.454 9.214 -10.704 0.13 0.00 C ATOM 0 H THR A 99 -14.196 8.766 -8.176 0.82 0.00 H new ATOM 0 HA THR A 99 -15.852 6.819 -9.480 1.00 0.00 H new ATOM 0 HB THR A 99 -14.537 7.450 -11.487 0.22 0.00 H new ATOM 0 HG1 THR A 99 -12.926 9.131 -11.218 0.16 0.00 H new ATOM 0 HG21 THR A 99 -15.187 9.830 -11.563 0.13 0.00 H new ATOM 0 HG22 THR A 99 -16.463 8.823 -10.838 0.13 0.00 H new ATOM 0 HG23 THR A 99 -15.416 9.819 -9.798 0.13 0.00 H new ATOM 1573 N TYR A 100 -12.768 6.109 -8.648 1.00 0.00 N ATOM 1574 CA TYR A 100 -11.785 5.037 -8.545 1.00 0.00 C ATOM 1575 C TYR A 100 -12.293 3.920 -7.638 0.19 0.00 C ATOM 1576 O TYR A 100 -13.429 3.959 -7.166 0.38 0.00 O ATOM 1577 CB TYR A 100 -10.458 5.581 -8.010 0.46 0.00 C ATOM 1578 CG TYR A 100 -9.798 6.582 -8.931 0.06 0.00 C ATOM 1579 CD1 TYR A 100 -8.955 6.164 -9.953 0.32 0.00 C ATOM 1580 CD2 TYR A 100 -10.015 7.947 -8.776 0.20 0.00 C ATOM 1581 CE1 TYR A 100 -8.347 7.076 -10.795 0.33 0.00 C ATOM 1582 CE2 TYR A 100 -9.411 8.864 -9.615 0.11 0.00 C ATOM 1583 CZ TYR A 100 -8.578 8.425 -10.623 0.65 0.00 C ATOM 1584 OH TYR A 100 -7.973 9.335 -11.460 1.00 0.00 O ATOM 0 H TYR A 100 -12.523 6.957 -8.136 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.625 4.627 -9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -10.632 6.050 -7.042 0.46 0.00 H new ATOM 0 HB3 TYR A 100 -9.775 4.748 -7.843 0.46 0.00 H new ATOM 0 HD1 TYR A 100 -8.772 5.109 -10.092 0.32 0.00 H new ATOM 0 HD2 TYR A 100 -10.666 8.296 -7.988 0.20 0.00 H new ATOM 0 HE1 TYR A 100 -7.694 6.734 -11.584 0.33 0.00 H new ATOM 0 HE2 TYR A 100 -9.591 9.921 -9.482 0.11 0.00 H new ATOM 0 HH TYR A 100 -8.241 10.243 -11.205 1.00 0.00 H new ATOM 1594 N ASP A 101 -11.443 2.925 -7.401 0.21 0.00 N ATOM 1595 CA ASP A 101 -11.807 1.795 -6.552 1.00 0.00 C ATOM 1596 C ASP A 101 -10.626 1.354 -5.692 1.00 0.00 C ATOM 1597 O ASP A 101 -9.548 1.945 -5.747 1.00 0.00 O ATOM 1598 CB ASP A 101 -12.291 0.624 -7.410 0.71 0.00 C ATOM 1599 CG ASP A 101 -13.520 0.971 -8.227 0.11 0.00 C ATOM 1600 OD1 ASP A 101 -13.360 1.492 -9.350 1.00 0.00 O ATOM 1601 OD2 ASP A 101 -14.645 0.719 -7.744 0.11 0.00 O ATOM 0 H ASP A 101 -10.499 2.878 -7.784 0.21 0.00 H new ATOM 0 HA ASP A 101 -12.613 2.114 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.489 0.313 -8.080 0.71 0.00 H new ATOM 0 HB3 ASP A 101 -12.515 -0.226 -6.765 0.71 0.00 H new ATOM 1606 N VAL A 102 -10.839 0.307 -4.899 0.14 0.00 N ATOM 1607 CA VAL A 102 -9.796 -0.222 -4.028 0.24 0.00 C ATOM 1608 C VAL A 102 -8.626 -0.759 -4.847 0.80 0.00 C ATOM 1609 O VAL A 102 -7.504 -0.870 -4.352 1.00 0.00 O ATOM 1610 CB VAL A 102 -10.342 -1.343 -3.119 0.41 0.00 C ATOM 1611 CG1 VAL A 102 -10.815 -2.527 -3.946 0.50 0.00 C ATOM 1612 CG2 VAL A 102 -9.293 -1.776 -2.105 0.76 0.00 C ATOM 0 H VAL A 102 -11.727 -0.192 -4.843 0.14 0.00 H new ATOM 0 HA VAL A 102 -9.449 0.600 -3.402 0.24 0.00 H new ATOM 0 HB VAL A 102 -11.199 -0.948 -2.572 0.41 0.00 H new ATOM 0 HG11 VAL A 102 -11.196 -3.305 -3.284 0.50 0.00 H new ATOM 0 HG12 VAL A 102 -11.608 -2.206 -4.621 0.50 0.00 H new ATOM 0 HG13 VAL A 102 -9.981 -2.921 -4.527 0.50 0.00 H new ATOM 0 HG21 VAL A 102 -9.700 -2.567 -1.475 0.76 0.00 H new ATOM 0 HG22 VAL A 102 -8.412 -2.147 -2.629 0.76 0.00 H new ATOM 0 HG23 VAL A 102 -9.014 -0.925 -1.484 0.76 0.00 H new ATOM 1622 N SER A 103 -8.898 -1.092 -6.102 0.10 0.00 N ATOM 1623 CA SER A 103 -7.872 -1.615 -6.997 0.98 0.00 C ATOM 1624 C SER A 103 -6.846 -0.537 -7.333 0.41 0.00 C ATOM 1625 O SER A 103 -5.669 -0.830 -7.541 0.47 0.00 O ATOM 1626 CB SER A 103 -8.511 -2.145 -8.282 1.00 0.00 C ATOM 1627 OG SER A 103 -9.441 -3.177 -8.001 0.61 0.00 O ATOM 0 H SER A 103 -9.823 -1.009 -6.525 0.10 0.00 H new ATOM 0 HA SER A 103 -7.361 -2.433 -6.489 0.98 0.00 H new ATOM 0 HB2 SER A 103 -9.013 -1.331 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.736 -2.522 -8.949 1.00 0.00 H new ATOM 0 HG SER A 103 -9.837 -3.498 -8.838 0.61 0.00 H new ATOM 1633 N SER A 104 -7.302 0.710 -7.384 0.20 0.00 N ATOM 1634 CA SER A 104 -6.428 1.836 -7.704 0.24 0.00 C ATOM 1635 C SER A 104 -5.405 2.082 -6.598 0.97 0.00 C ATOM 1636 O SER A 104 -4.206 2.180 -6.863 0.20 0.00 O ATOM 1637 CB SER A 104 -7.259 3.099 -7.934 0.64 0.00 C ATOM 1638 OG SER A 104 -8.165 2.925 -9.009 1.00 0.00 O ATOM 0 H SER A 104 -8.273 0.968 -7.208 0.20 0.00 H new ATOM 0 HA SER A 104 -5.886 1.587 -8.616 0.24 0.00 H new ATOM 0 HB2 SER A 104 -7.810 3.346 -7.026 0.64 0.00 H new ATOM 0 HB3 SER A 104 -6.598 3.940 -8.144 0.64 0.00 H new ATOM 0 HG SER A 104 -7.800 3.344 -9.816 1.00 0.00 H new ATOM 1644 N ILE A 105 -5.882 2.189 -5.360 1.00 0.00 N ATOM 1645 CA ILE A 105 -5.000 2.432 -4.223 0.09 0.00 C ATOM 1646 C ILE A 105 -3.965 1.317 -4.086 0.23 0.00 C ATOM 1647 O ILE A 105 -2.831 1.560 -3.670 0.18 0.00 O ATOM 1648 CB ILE A 105 -5.806 2.577 -2.910 0.13 0.00 C ATOM 1649 CG1 ILE A 105 -4.919 3.130 -1.781 0.77 0.00 C ATOM 1650 CG2 ILE A 105 -6.439 1.248 -2.516 0.34 0.00 C ATOM 1651 CD1 ILE A 105 -4.153 2.077 -1.000 0.23 0.00 C ATOM 0 H ILE A 105 -6.870 2.112 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.477 3.370 -4.409 0.09 0.00 H new ATOM 0 HB ILE A 105 -6.611 3.292 -3.080 0.13 0.00 H new ATOM 0 HG12 ILE A 105 -4.206 3.834 -2.210 0.77 0.00 H new ATOM 0 HG13 ILE A 105 -5.545 3.692 -1.088 0.77 0.00 H new ATOM 0 HG21 ILE A 105 -7.001 1.373 -1.590 0.34 0.00 H new ATOM 0 HG22 ILE A 105 -7.112 0.917 -3.307 0.34 0.00 H new ATOM 0 HG23 ILE A 105 -5.658 0.502 -2.369 0.34 0.00 H new ATOM 0 HD11 ILE A 105 -3.556 2.560 -0.226 0.23 0.00 H new ATOM 0 HD12 ILE A 105 -4.856 1.385 -0.537 0.23 0.00 H new ATOM 0 HD13 ILE A 105 -3.496 1.529 -1.676 0.23 0.00 H new ATOM 1663 N LEU A 106 -4.357 0.101 -4.449 0.15 0.00 N ATOM 1664 CA LEU A 106 -3.463 -1.050 -4.367 1.00 0.00 C ATOM 1665 C LEU A 106 -2.316 -0.923 -5.366 0.20 0.00 C ATOM 1666 O LEU A 106 -1.159 -1.175 -5.029 0.37 0.00 O ATOM 1667 CB LEU A 106 -4.239 -2.346 -4.628 0.18 0.00 C ATOM 1668 CG LEU A 106 -4.435 -3.253 -3.409 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -3.100 -3.797 -2.922 0.09 0.00 C ATOM 1670 CD2 LEU A 106 -5.144 -2.504 -2.290 0.47 0.00 C ATOM 0 H LEU A 106 -5.289 -0.114 -4.803 0.15 0.00 H new ATOM 0 HA LEU A 106 -3.044 -1.080 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.219 -2.088 -5.029 0.18 0.00 H new ATOM 0 HB3 LEU A 106 -3.718 -2.912 -5.400 0.18 0.00 H new ATOM 0 HG LEU A 106 -5.059 -4.094 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.263 -4.438 -2.056 0.09 0.00 H new ATOM 0 HD12 LEU A 106 -2.630 -4.375 -3.718 0.09 0.00 H new ATOM 0 HD13 LEU A 106 -2.449 -2.968 -2.643 0.09 0.00 H new ATOM 0 HD21 LEU A 106 -5.273 -3.166 -1.434 0.47 0.00 H new ATOM 0 HD22 LEU A 106 -4.547 -1.641 -1.995 0.47 0.00 H new ATOM 0 HD23 LEU A 106 -6.120 -2.167 -2.639 0.47 0.00 H new ATOM 1682 N THR A 107 -2.645 -0.534 -6.593 0.10 0.00 N ATOM 1683 CA THR A 107 -1.641 -0.380 -7.641 1.00 0.00 C ATOM 1684 C THR A 107 -0.739 0.823 -7.375 0.70 0.00 C ATOM 1685 O THR A 107 0.414 0.849 -7.802 0.22 0.00 O ATOM 1686 CB THR A 107 -2.295 -0.226 -9.027 1.00 0.00 C ATOM 1687 OG1 THR A 107 -3.165 0.912 -9.036 0.05 0.00 O ATOM 1688 CG2 THR A 107 -3.082 -1.475 -9.393 1.00 0.00 C ATOM 0 H THR A 107 -3.598 -0.320 -6.887 0.10 0.00 H new ATOM 0 HA THR A 107 -1.036 -1.287 -7.632 1.00 0.00 H new ATOM 0 HB THR A 107 -1.505 -0.083 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.336 1.200 -8.115 0.05 0.00 H new ATOM 0 HG21 THR A 107 -3.535 -1.344 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.412 -2.334 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.864 -1.643 -8.652 1.00 0.00 H new ATOM 1696 N SER A 108 -1.270 1.816 -6.666 0.12 0.00 N ATOM 1697 CA SER A 108 -0.508 3.020 -6.343 0.18 0.00 C ATOM 1698 C SER A 108 0.713 2.678 -5.494 0.42 0.00 C ATOM 1699 O SER A 108 1.811 3.180 -5.733 1.00 0.00 O ATOM 1700 CB SER A 108 -1.390 4.028 -5.602 0.05 0.00 C ATOM 1701 OG SER A 108 -0.668 5.209 -5.295 1.00 0.00 O ATOM 0 H SER A 108 -2.224 1.811 -6.304 0.12 0.00 H new ATOM 0 HA SER A 108 -0.168 3.465 -7.278 0.18 0.00 H new ATOM 0 HB2 SER A 108 -2.257 4.277 -6.214 0.05 0.00 H new ATOM 0 HB3 SER A 108 -1.767 3.579 -4.683 0.05 0.00 H new ATOM 0 HG SER A 108 -1.287 5.896 -4.970 1.00 0.00 H new ATOM 1707 N ILE A 109 0.509 1.818 -4.501 0.78 0.00 N ATOM 1708 CA ILE A 109 1.585 1.400 -3.610 0.11 0.00 C ATOM 1709 C ILE A 109 2.571 0.491 -4.335 0.06 0.00 C ATOM 1710 O ILE A 109 3.773 0.529 -4.077 1.00 0.00 O ATOM 1711 CB ILE A 109 1.029 0.660 -2.376 0.74 0.00 C ATOM 1712 CG1 ILE A 109 -0.047 1.508 -1.690 0.54 0.00 C ATOM 1713 CG2 ILE A 109 2.153 0.328 -1.404 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -0.802 0.768 -0.605 0.93 0.00 C ATOM 0 H ILE A 109 -0.396 1.396 -4.293 0.78 0.00 H new ATOM 0 HA ILE A 109 2.101 2.302 -3.282 0.11 0.00 H new ATOM 0 HB ILE A 109 0.574 -0.275 -2.704 0.74 0.00 H new ATOM 0 HG12 ILE A 109 0.420 2.392 -1.257 0.54 0.00 H new ATOM 0 HG13 ILE A 109 -0.756 1.857 -2.441 0.54 0.00 H new ATOM 0 HG21 ILE A 109 1.744 -0.194 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 109 2.886 -0.309 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.635 1.249 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.547 1.430 -0.164 0.93 0.00 H new ATOM 0 HD12 ILE A 109 -1.299 -0.101 -1.036 0.93 0.00 H new ATOM 0 HD13 ILE A 109 -0.104 0.442 0.166 0.93 0.00 H new ATOM 1726 N GLN A 110 2.051 -0.328 -5.245 1.00 0.00 N ATOM 1727 CA GLN A 110 2.882 -1.251 -6.009 0.18 0.00 C ATOM 1728 C GLN A 110 3.865 -0.496 -6.901 0.13 0.00 C ATOM 1729 O GLN A 110 5.042 -0.847 -6.979 0.17 0.00 O ATOM 1730 CB GLN A 110 2.005 -2.173 -6.859 0.53 0.00 C ATOM 1731 CG GLN A 110 2.793 -3.212 -7.638 0.07 0.00 C ATOM 1732 CD GLN A 110 1.915 -4.048 -8.548 1.00 0.00 C ATOM 1733 OE1 GLN A 110 0.879 -3.587 -9.027 0.22 0.00 O ATOM 1734 NE2 GLN A 110 2.328 -5.286 -8.794 0.49 0.00 N ATOM 0 H GLN A 110 1.057 -0.371 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 110 3.454 -1.853 -5.303 0.18 0.00 H new ATOM 0 HB2 GLN A 110 1.291 -2.681 -6.211 0.53 0.00 H new ATOM 0 HB3 GLN A 110 1.427 -1.568 -7.558 0.53 0.00 H new ATOM 0 HG2 GLN A 110 3.556 -2.712 -8.235 0.07 0.00 H new ATOM 0 HG3 GLN A 110 3.313 -3.867 -6.939 0.07 0.00 H new ATOM 0 HE21 GLN A 110 3.193 -5.627 -8.376 0.49 0.00 H new ATOM 0 HE22 GLN A 110 1.780 -5.895 -9.401 0.49 0.00 H new ATOM 1743 N SER A 111 3.373 0.542 -7.570 1.00 0.00 N ATOM 1744 CA SER A 111 4.206 1.347 -8.457 0.10 0.00 C ATOM 1745 C SER A 111 5.284 2.088 -7.672 0.96 0.00 C ATOM 1746 O SER A 111 6.362 2.369 -8.194 0.33 0.00 O ATOM 1747 CB SER A 111 3.347 2.345 -9.236 0.29 0.00 C ATOM 1748 OG SER A 111 2.647 3.211 -8.361 0.09 0.00 O ATOM 0 H SER A 111 2.401 0.846 -7.515 1.00 0.00 H new ATOM 0 HA SER A 111 4.695 0.674 -9.161 0.10 0.00 H new ATOM 0 HB2 SER A 111 3.980 2.931 -9.902 0.29 0.00 H new ATOM 0 HB3 SER A 111 2.637 1.806 -9.863 0.29 0.00 H new ATOM 0 HG SER A 111 2.660 2.840 -7.454 0.09 0.00 H new ATOM 1754 N LEU A 112 4.982 2.403 -6.416 0.39 0.00 N ATOM 1755 CA LEU A 112 5.918 3.115 -5.552 0.19 0.00 C ATOM 1756 C LEU A 112 7.250 2.377 -5.459 0.60 0.00 C ATOM 1757 O LEU A 112 8.293 2.983 -5.213 0.09 0.00 O ATOM 1758 CB LEU A 112 5.316 3.284 -4.155 0.08 0.00 C ATOM 1759 CG LEU A 112 6.165 4.091 -3.170 0.35 0.00 C ATOM 1760 CD1 LEU A 112 6.291 5.534 -3.629 0.66 0.00 C ATOM 1761 CD2 LEU A 112 5.560 4.024 -1.775 0.35 0.00 C ATOM 0 H LEU A 112 4.092 2.175 -5.972 0.39 0.00 H new ATOM 0 HA LEU A 112 6.102 4.097 -5.987 0.19 0.00 H new ATOM 0 HB2 LEU A 112 4.344 3.768 -4.252 0.08 0.00 H new ATOM 0 HB3 LEU A 112 5.139 2.295 -3.732 0.08 0.00 H new ATOM 0 HG LEU A 112 7.164 3.656 -3.137 0.35 0.00 H new ATOM 0 HD11 LEU A 112 6.898 6.091 -2.915 0.66 0.00 H new ATOM 0 HD12 LEU A 112 6.765 5.564 -4.610 0.66 0.00 H new ATOM 0 HD13 LEU A 112 5.300 5.984 -3.691 0.66 0.00 H new ATOM 0 HD21 LEU A 112 6.174 4.602 -1.084 0.35 0.00 H new ATOM 0 HD22 LEU A 112 4.551 4.436 -1.796 0.35 0.00 H new ATOM 0 HD23 LEU A 112 5.522 2.986 -1.445 0.35 0.00 H new ATOM 1773 N LEU A 113 7.206 1.064 -5.661 0.38 0.00 N ATOM 1774 CA LEU A 113 8.407 0.241 -5.598 0.31 0.00 C ATOM 1775 C LEU A 113 9.124 0.235 -6.940 0.21 0.00 C ATOM 1776 O LEU A 113 10.348 0.338 -7.003 0.52 0.00 O ATOM 1777 CB LEU A 113 8.049 -1.195 -5.209 0.11 0.00 C ATOM 1778 CG LEU A 113 6.805 -1.345 -4.334 0.51 0.00 C ATOM 1779 CD1 LEU A 113 6.503 -2.814 -4.095 0.05 0.00 C ATOM 1780 CD2 LEU A 113 6.988 -0.612 -3.014 0.21 0.00 C ATOM 0 H LEU A 113 6.351 0.548 -5.870 0.38 0.00 H new ATOM 0 HA LEU A 113 9.068 0.666 -4.843 0.31 0.00 H new ATOM 0 HB2 LEU A 113 7.904 -1.775 -6.120 0.11 0.00 H new ATOM 0 HB3 LEU A 113 8.897 -1.634 -4.684 0.11 0.00 H new ATOM 0 HG LEU A 113 5.958 -0.899 -4.855 0.51 0.00 H new ATOM 0 HD11 LEU A 113 5.615 -2.906 -3.470 0.05 0.00 H new ATOM 0 HD12 LEU A 113 6.328 -3.310 -5.050 0.05 0.00 H new ATOM 0 HD13 LEU A 113 7.349 -3.282 -3.593 0.05 0.00 H new ATOM 0 HD21 LEU A 113 6.092 -0.730 -2.405 0.21 0.00 H new ATOM 0 HD22 LEU A 113 7.845 -1.027 -2.483 0.21 0.00 H new ATOM 0 HD23 LEU A 113 7.158 0.447 -3.207 0.21 0.00 H new ATOM 1792 N ASP A 114 8.347 0.113 -8.012 0.17 0.00 N ATOM 1793 CA ASP A 114 8.903 0.084 -9.357 0.16 0.00 C ATOM 1794 C ASP A 114 9.672 1.366 -9.659 0.12 0.00 C ATOM 1795 O ASP A 114 10.814 1.326 -10.115 0.36 0.00 O ATOM 1796 CB ASP A 114 7.788 -0.109 -10.388 0.73 0.00 C ATOM 1797 CG ASP A 114 8.323 -0.240 -11.801 0.27 0.00 C ATOM 1798 OD1 ASP A 114 8.515 0.803 -12.463 0.07 0.00 O ATOM 1799 OD2 ASP A 114 8.546 -1.384 -12.249 0.84 0.00 O ATOM 0 H ASP A 114 7.331 0.033 -7.974 0.17 0.00 H new ATOM 0 HA ASP A 114 9.596 -0.755 -9.417 0.16 0.00 H new ATOM 0 HB2 ASP A 114 7.214 -1.001 -10.136 0.73 0.00 H new ATOM 0 HB3 ASP A 114 7.102 0.736 -10.339 0.73 0.00 H new ATOM 1804 N GLU A 115 9.034 2.504 -9.397 0.70 0.00 N ATOM 1805 CA GLU A 115 9.651 3.802 -9.642 1.00 0.00 C ATOM 1806 C GLU A 115 8.975 4.892 -8.805 0.46 0.00 C ATOM 1807 O GLU A 115 7.806 5.212 -9.024 0.05 0.00 O ATOM 1808 CB GLU A 115 9.568 4.148 -11.131 1.00 0.00 C ATOM 1809 CG GLU A 115 8.176 3.977 -11.720 1.00 0.00 C ATOM 1810 CD GLU A 115 8.143 4.212 -13.218 1.00 0.00 C ATOM 1811 OE1 GLU A 115 8.036 5.386 -13.631 0.05 0.00 O ATOM 1812 OE2 GLU A 115 8.222 3.223 -13.976 1.00 0.00 O ATOM 0 H GLU A 115 8.090 2.552 -9.015 0.70 0.00 H new ATOM 0 HA GLU A 115 10.699 3.748 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.890 5.180 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.266 3.517 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.816 2.971 -11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.491 4.671 -11.232 1.00 0.00 H new ATOM 1886 N PRO A 121 10.629 13.589 -1.025 0.17 0.00 N ATOM 1887 CA PRO A 121 10.671 12.392 -0.174 1.00 0.00 C ATOM 1888 C PRO A 121 10.389 12.715 1.289 0.14 0.00 C ATOM 1889 O PRO A 121 10.917 13.685 1.834 1.00 0.00 O ATOM 1890 CB PRO A 121 12.108 11.885 -0.336 1.00 0.00 C ATOM 1891 CG PRO A 121 12.887 13.084 -0.749 0.11 0.00 C ATOM 1892 CD PRO A 121 11.955 13.903 -1.592 1.00 0.00 C ATOM 0 HA PRO A 121 9.913 11.664 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.488 11.468 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.168 11.096 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.227 13.648 0.119 0.11 0.00 H new ATOM 0 HG3 PRO A 121 13.776 12.799 -1.312 0.11 0.00 H new ATOM 0 HD2 PRO A 121 12.181 14.967 -1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.018 13.630 -2.645 1.00 0.00 H new ATOM 1900 N ALA A 122 9.553 11.896 1.919 0.56 0.00 N ATOM 1901 CA ALA A 122 9.206 12.091 3.321 0.10 0.00 C ATOM 1902 C ALA A 122 10.381 11.736 4.225 1.00 0.00 C ATOM 1903 O ALA A 122 10.691 12.461 5.170 0.15 0.00 O ATOM 1904 CB ALA A 122 7.987 11.257 3.686 0.20 0.00 C ATOM 0 H ALA A 122 9.104 11.092 1.481 0.56 0.00 H new ATOM 0 HA ALA A 122 8.967 13.144 3.470 0.10 0.00 H new ATOM 0 HB1 ALA A 122 7.740 11.413 4.736 0.20 0.00 H new ATOM 0 HB2 ALA A 122 7.142 11.557 3.066 0.20 0.00 H new ATOM 0 HB3 ALA A 122 8.204 10.202 3.518 0.20 0.00 H new ATOM 1910 N ASN A 123 11.035 10.618 3.922 0.64 0.00 N ATOM 1911 CA ASN A 123 12.176 10.165 4.709 1.00 0.00 C ATOM 1912 C ASN A 123 13.481 10.720 4.146 1.00 0.00 C ATOM 1913 O ASN A 123 13.990 10.236 3.134 0.09 0.00 O ATOM 1914 CB ASN A 123 12.226 8.637 4.737 0.06 0.00 C ATOM 1915 CG ASN A 123 13.127 8.108 5.835 0.49 0.00 C ATOM 1916 OD1 ASN A 123 14.108 8.748 6.214 1.00 0.00 O ATOM 1917 ND2 ASN A 123 12.794 6.934 6.356 0.58 0.00 N ATOM 0 H ASN A 123 10.794 10.011 3.139 0.64 0.00 H new ATOM 0 HA ASN A 123 12.055 10.536 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 123 11.218 8.246 4.878 0.06 0.00 H new ATOM 0 HB3 ASN A 123 12.579 8.270 3.773 0.06 0.00 H new ATOM 0 HD21 ASN A 123 13.360 6.528 7.101 0.58 0.00 H new ATOM 0 HD22 ASN A 123 11.972 6.438 6.011 0.58 0.00 H new ATOM 1924 N SER A 124 14.013 11.745 4.807 0.13 0.00 N ATOM 1925 CA SER A 124 15.256 12.375 4.377 0.41 0.00 C ATOM 1926 C SER A 124 16.457 11.464 4.618 0.10 0.00 C ATOM 1927 O SER A 124 17.461 11.547 3.909 0.71 0.00 O ATOM 1928 CB SER A 124 15.455 13.704 5.108 1.00 0.00 C ATOM 1929 OG SER A 124 15.437 13.522 6.514 0.10 0.00 O ATOM 0 H SER A 124 13.601 12.157 5.644 0.13 0.00 H new ATOM 0 HA SER A 124 15.182 12.559 3.305 0.41 0.00 H new ATOM 0 HB2 SER A 124 16.404 14.149 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 124 14.670 14.403 4.819 1.00 0.00 H new ATOM 0 HG SER A 124 15.568 14.386 6.957 0.10 0.00 H new ATOM 1935 N GLN A 125 16.350 10.597 5.619 0.92 0.00 N ATOM 1936 CA GLN A 125 17.434 9.679 5.955 0.10 0.00 C ATOM 1937 C GLN A 125 17.614 8.616 4.875 0.98 0.00 C ATOM 1938 O GLN A 125 18.731 8.353 4.429 1.00 0.00 O ATOM 1939 CB GLN A 125 17.167 9.007 7.301 0.06 0.00 C ATOM 1940 CG GLN A 125 18.307 8.118 7.777 0.25 0.00 C ATOM 1941 CD GLN A 125 19.540 8.903 8.188 0.40 0.00 C ATOM 1942 OE1 GLN A 125 19.809 9.987 7.668 0.10 0.00 O ATOM 1943 NE2 GLN A 125 20.301 8.355 9.130 0.08 0.00 N ATOM 0 H GLN A 125 15.525 10.510 6.212 0.92 0.00 H new ATOM 0 HA GLN A 125 18.353 10.262 6.020 0.10 0.00 H new ATOM 0 HB2 GLN A 125 16.980 9.776 8.051 0.06 0.00 H new ATOM 0 HB3 GLN A 125 16.259 8.409 7.225 0.06 0.00 H new ATOM 0 HG2 GLN A 125 17.966 7.520 8.622 0.25 0.00 H new ATOM 0 HG3 GLN A 125 18.574 7.422 6.982 0.25 0.00 H new ATOM 0 HE21 GLN A 125 20.043 7.455 9.535 0.08 0.00 H new ATOM 0 HE22 GLN A 125 21.143 8.834 9.448 0.08 0.00 H new ATOM 1952 N ALA A 126 16.507 8.009 4.459 0.31 0.00 N ATOM 1953 CA ALA A 126 16.543 6.972 3.434 0.26 0.00 C ATOM 1954 C ALA A 126 17.162 7.490 2.141 0.72 0.00 C ATOM 1955 O ALA A 126 18.005 6.827 1.537 0.07 0.00 O ATOM 1956 CB ALA A 126 15.141 6.441 3.175 0.23 0.00 C ATOM 0 H ALA A 126 15.574 8.217 4.816 0.31 0.00 H new ATOM 0 HA ALA A 126 17.169 6.158 3.800 0.26 0.00 H new ATOM 0 HB1 ALA A 126 15.181 5.668 2.408 0.23 0.00 H new ATOM 0 HB2 ALA A 126 14.736 6.019 4.095 0.23 0.00 H new ATOM 0 HB3 ALA A 126 14.500 7.255 2.836 0.23 0.00 H new ATOM 1962 N ALA A 127 16.737 8.677 1.720 0.62 0.00 N ATOM 1963 CA ALA A 127 17.249 9.282 0.496 1.00 0.00 C ATOM 1964 C ALA A 127 18.712 9.683 0.654 0.46 0.00 C ATOM 1965 O ALA A 127 19.488 9.621 -0.301 0.52 0.00 O ATOM 1966 CB ALA A 127 16.407 10.490 0.112 0.70 0.00 C ATOM 0 H ALA A 127 16.040 9.239 2.208 0.62 0.00 H new ATOM 0 HA ALA A 127 17.186 8.541 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 127 16.801 10.932 -0.803 0.70 0.00 H new ATOM 0 HB2 ALA A 127 15.375 10.178 -0.050 0.70 0.00 H new ATOM 0 HB3 ALA A 127 16.441 11.227 0.914 0.70 0.00 H new ATOM 1972 N GLN A 128 19.081 10.094 1.863 0.56 0.00 N ATOM 1973 CA GLN A 128 20.451 10.510 2.146 1.00 0.00 C ATOM 1974 C GLN A 128 21.410 9.324 2.079 0.90 0.00 C ATOM 1975 O GLN A 128 22.565 9.471 1.679 1.00 0.00 O ATOM 1976 CB GLN A 128 20.530 11.162 3.527 0.13 0.00 C ATOM 1977 CG GLN A 128 21.911 11.694 3.871 0.18 0.00 C ATOM 1978 CD GLN A 128 21.985 12.263 5.274 0.05 0.00 C ATOM 1979 OE1 GLN A 128 22.293 11.551 6.229 0.19 0.00 O ATOM 1980 NE2 GLN A 128 21.701 13.554 5.405 0.65 0.00 N ATOM 0 H GLN A 128 18.451 10.148 2.663 0.56 0.00 H new ATOM 0 HA GLN A 128 20.746 11.235 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 128 19.812 11.981 3.574 0.13 0.00 H new ATOM 0 HB3 GLN A 128 20.232 10.433 4.281 0.13 0.00 H new ATOM 0 HG2 GLN A 128 22.641 10.891 3.770 0.18 0.00 H new ATOM 0 HG3 GLN A 128 22.187 12.468 3.154 0.18 0.00 H new ATOM 0 HE21 GLN A 128 21.450 14.107 4.585 0.65 0.00 H new ATOM 0 HE22 GLN A 128 21.734 13.993 6.325 0.65 0.00 H new ATOM 1989 N LEU A 129 20.922 8.152 2.470 0.12 0.00 N ATOM 1990 CA LEU A 129 21.740 6.942 2.462 0.07 0.00 C ATOM 1991 C LEU A 129 21.999 6.455 1.039 0.17 0.00 C ATOM 1992 O LEU A 129 23.015 5.814 0.769 0.23 0.00 O ATOM 1993 CB LEU A 129 21.057 5.839 3.274 0.29 0.00 C ATOM 1994 CG LEU A 129 21.039 6.063 4.789 0.35 0.00 C ATOM 1995 CD1 LEU A 129 20.123 5.055 5.465 1.00 0.00 C ATOM 1996 CD2 LEU A 129 22.446 5.969 5.359 0.27 0.00 C ATOM 0 H LEU A 129 19.966 8.013 2.796 0.12 0.00 H new ATOM 0 HA LEU A 129 22.700 7.185 2.917 0.07 0.00 H new ATOM 0 HB2 LEU A 129 20.029 5.736 2.925 0.29 0.00 H new ATOM 0 HB3 LEU A 129 21.559 4.894 3.068 0.29 0.00 H new ATOM 0 HG LEU A 129 20.655 7.064 4.984 0.35 0.00 H new ATOM 0 HD11 LEU A 129 20.122 5.229 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 129 19.110 5.167 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 129 20.479 4.045 5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 129 22.414 6.131 6.436 0.27 0.00 H new ATOM 0 HD22 LEU A 129 22.857 4.981 5.153 0.27 0.00 H new ATOM 0 HD23 LEU A 129 23.077 6.728 4.897 0.27 0.00 H new ATOM 2008 N TYR A 130 21.078 6.764 0.133 1.00 0.00 N ATOM 2009 CA TYR A 130 21.208 6.352 -1.259 1.00 0.00 C ATOM 2010 C TYR A 130 22.398 7.035 -1.933 0.09 0.00 C ATOM 2011 O TYR A 130 23.050 6.450 -2.797 1.00 0.00 O ATOM 2012 CB TYR A 130 19.924 6.663 -2.030 1.00 0.00 C ATOM 2013 CG TYR A 130 19.974 6.248 -3.483 0.97 0.00 C ATOM 2014 CD1 TYR A 130 19.849 4.913 -3.846 0.16 0.00 C ATOM 2015 CD2 TYR A 130 20.148 7.189 -4.487 1.00 0.00 C ATOM 2016 CE1 TYR A 130 19.898 4.529 -5.174 1.00 0.00 C ATOM 2017 CE2 TYR A 130 20.197 6.813 -5.815 0.98 0.00 C ATOM 2018 CZ TYR A 130 20.071 5.483 -6.153 1.00 0.00 C ATOM 2019 OH TYR A 130 20.120 5.105 -7.475 0.32 0.00 O ATOM 0 H TYR A 130 20.234 7.298 0.338 1.00 0.00 H new ATOM 0 HA TYR A 130 21.381 5.276 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 130 19.088 6.158 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 130 19.726 7.733 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 130 19.712 4.164 -3.080 0.16 0.00 H new ATOM 0 HD2 TYR A 130 20.247 8.232 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 130 19.801 3.487 -5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 130 20.333 7.558 -6.585 0.98 0.00 H new ATOM 0 HH TYR A 130 20.245 5.898 -8.037 0.32 0.00 H new ATOM 2029 N GLN A 131 22.675 8.273 -1.534 1.00 0.00 N ATOM 2030 CA GLN A 131 23.784 9.028 -2.111 0.21 0.00 C ATOM 2031 C GLN A 131 25.049 8.895 -1.269 0.16 0.00 C ATOM 2032 O GLN A 131 26.160 9.068 -1.772 1.00 0.00 O ATOM 2033 CB GLN A 131 23.409 10.505 -2.258 0.99 0.00 C ATOM 2034 CG GLN A 131 22.983 11.163 -0.956 0.09 0.00 C ATOM 2035 CD GLN A 131 22.647 12.632 -1.129 0.20 0.00 C ATOM 2036 OE1 GLN A 131 21.719 13.128 -0.319 1.00 0.00 O flip ATOM 2037 NE2 GLN A 131 23.213 13.313 -1.985 0.31 0.00 N flip ATOM 0 H GLN A 131 22.150 8.773 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 131 23.987 8.610 -3.097 0.21 0.00 H new ATOM 0 HB2 GLN A 131 24.262 11.048 -2.666 0.99 0.00 H new ATOM 0 HB3 GLN A 131 22.598 10.594 -2.981 0.99 0.00 H new ATOM 0 HG2 GLN A 131 22.115 10.640 -0.556 0.09 0.00 H new ATOM 0 HG3 GLN A 131 23.783 11.061 -0.223 0.09 0.00 H new ATOM 0 HE21 GLN A 131 23.921 12.891 -2.587 0.31 0.00 H new ATOM 0 HE22 GLN A 131 22.974 14.299 -2.092 0.31 0.00 H new ATOM 2046 N GLU A 132 24.879 8.589 0.014 0.34 0.00 N ATOM 2047 CA GLU A 132 26.017 8.440 0.916 0.26 0.00 C ATOM 2048 C GLU A 132 26.517 6.999 0.939 0.08 0.00 C ATOM 2049 O GLU A 132 27.454 6.648 0.223 1.00 0.00 O ATOM 2050 CB GLU A 132 25.639 8.885 2.330 0.14 0.00 C ATOM 2051 CG GLU A 132 25.392 10.379 2.449 0.15 0.00 C ATOM 2052 CD GLU A 132 26.615 11.204 2.099 0.28 0.00 C ATOM 2053 OE1 GLU A 132 26.776 11.550 0.909 0.09 0.00 O ATOM 2054 OE2 GLU A 132 27.414 11.499 3.011 0.43 0.00 O ATOM 0 H GLU A 132 23.969 8.440 0.451 0.34 0.00 H new ATOM 0 HA GLU A 132 26.822 9.075 0.546 0.26 0.00 H new ATOM 0 HB2 GLU A 132 24.742 8.350 2.643 0.14 0.00 H new ATOM 0 HB3 GLU A 132 26.436 8.601 3.017 0.14 0.00 H new ATOM 0 HG2 GLU A 132 24.569 10.660 1.792 0.15 0.00 H new ATOM 0 HG3 GLU A 132 25.081 10.612 3.467 0.15 0.00 H new ATOM 2061 N ASN A 133 25.886 6.169 1.765 0.30 0.00 N ATOM 2062 CA ASN A 133 26.272 4.768 1.883 1.00 0.00 C ATOM 2063 C ASN A 133 25.257 3.867 1.191 0.25 0.00 C ATOM 2064 O ASN A 133 24.227 3.518 1.767 0.14 0.00 O ATOM 2065 CB ASN A 133 26.403 4.373 3.357 1.00 0.00 C ATOM 2066 CG ASN A 133 27.642 4.956 4.013 0.68 0.00 C ATOM 2067 OD1 ASN A 133 28.048 6.143 3.576 0.42 0.00 O flip ATOM 2068 ND2 ASN A 133 28.227 4.346 4.909 1.00 0.00 N flip ATOM 0 H ASN A 133 25.106 6.443 2.362 0.30 0.00 H new ATOM 0 HA ASN A 133 27.238 4.640 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 133 25.518 4.708 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 133 26.432 3.286 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 133 27.882 3.436 5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 133 29.056 4.751 5.344 1.00 0.00 H new ATOM 2075 N LYS A 134 25.553 3.499 -0.052 0.49 0.00 N ATOM 2076 CA LYS A 134 24.666 2.637 -0.823 0.12 0.00 C ATOM 2077 C LYS A 134 24.708 1.210 -0.288 0.11 0.00 C ATOM 2078 O LYS A 134 23.785 0.425 -0.507 1.00 0.00 O ATOM 2079 CB LYS A 134 25.061 2.658 -2.300 0.20 0.00 C ATOM 2080 CG LYS A 134 24.090 1.916 -3.205 1.00 0.00 C ATOM 2081 CD LYS A 134 24.557 1.928 -4.650 0.47 0.00 C ATOM 2082 CE LYS A 134 23.551 1.254 -5.569 0.38 0.00 C ATOM 2083 NZ LYS A 134 22.235 1.950 -5.556 0.44 0.00 N ATOM 0 H LYS A 134 26.399 3.784 -0.545 0.49 0.00 H new ATOM 0 HA LYS A 134 23.648 3.014 -0.725 0.12 0.00 H new ATOM 0 HB2 LYS A 134 25.134 3.694 -2.632 0.20 0.00 H new ATOM 0 HB3 LYS A 134 26.052 2.218 -2.408 0.20 0.00 H new ATOM 0 HG2 LYS A 134 23.987 0.886 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 134 23.104 2.375 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 134 24.714 2.957 -4.974 0.47 0.00 H new ATOM 0 HD3 LYS A 134 25.518 1.420 -4.727 0.47 0.00 H new ATOM 0 HE2 LYS A 134 23.943 1.237 -6.586 0.38 0.00 H new ATOM 0 HE3 LYS A 134 23.416 0.217 -5.262 0.38 0.00 H new ATOM 0 HZ1 LYS A 134 21.672 1.643 -6.374 0.44 0.00 H new ATOM 0 HZ2 LYS A 134 21.727 1.717 -4.679 0.44 0.00 H new ATOM 0 HZ3 LYS A 134 22.385 2.978 -5.606 0.44 0.00 H new ATOM 2097 N ARG A 135 25.785 0.885 0.418 0.07 0.00 N ATOM 2098 CA ARG A 135 25.954 -0.444 0.991 0.52 0.00 C ATOM 2099 C ARG A 135 24.987 -0.663 2.150 0.07 0.00 C ATOM 2100 O ARG A 135 24.550 -1.784 2.401 1.00 0.00 O ATOM 2101 CB ARG A 135 27.395 -0.633 1.473 0.21 0.00 C ATOM 2102 CG ARG A 135 28.434 -0.476 0.375 0.06 0.00 C ATOM 2103 CD ARG A 135 28.307 -1.565 -0.678 0.22 0.00 C ATOM 2104 NE ARG A 135 29.320 -1.434 -1.722 0.10 0.00 N ATOM 2105 CZ ARG A 135 29.321 -2.150 -2.843 0.22 0.00 C ATOM 2106 NH1 ARG A 135 28.370 -3.049 -3.064 0.21 0.00 N ATOM 2107 NH2 ARG A 135 30.276 -1.967 -3.746 0.40 0.00 N ATOM 0 H ARG A 135 26.556 1.526 0.607 0.07 0.00 H new ATOM 0 HA ARG A 135 25.736 -1.178 0.215 0.52 0.00 H new ATOM 0 HB2 ARG A 135 27.602 0.090 2.262 0.21 0.00 H new ATOM 0 HB3 ARG A 135 27.494 -1.625 1.915 0.21 0.00 H new ATOM 0 HG2 ARG A 135 28.321 0.501 -0.096 0.06 0.00 H new ATOM 0 HG3 ARG A 135 29.432 -0.506 0.811 0.06 0.00 H new ATOM 0 HD2 ARG A 135 28.399 -2.542 -0.203 0.22 0.00 H new ATOM 0 HD3 ARG A 135 27.315 -1.522 -1.127 0.22 0.00 H new ATOM 0 HE ARG A 135 30.069 -0.755 -1.584 0.10 0.00 H new ATOM 0 HH11 ARG A 135 27.634 -3.193 -2.373 0.21 0.00 H new ATOM 0 HH12 ARG A 135 28.375 -3.596 -3.925 0.21 0.00 H new ATOM 0 HH21 ARG A 135 31.009 -1.277 -3.580 0.40 0.00 H new ATOM 0 HH22 ARG A 135 30.277 -2.516 -4.606 0.40 0.00 H new ATOM 2121 N GLU A 136 24.658 0.418 2.851 1.00 0.00 N ATOM 2122 CA GLU A 136 23.743 0.344 3.985 1.00 0.00 C ATOM 2123 C GLU A 136 22.298 0.230 3.516 0.89 0.00 C ATOM 2124 O GLU A 136 21.448 -0.323 4.213 0.10 0.00 O ATOM 2125 CB GLU A 136 23.907 1.574 4.879 0.35 0.00 C ATOM 2126 CG GLU A 136 25.300 1.717 5.471 0.98 0.00 C ATOM 2127 CD GLU A 136 25.682 0.546 6.353 0.08 0.00 C ATOM 2128 OE1 GLU A 136 25.395 0.598 7.567 0.14 0.00 O ATOM 2129 OE2 GLU A 136 26.271 -0.424 5.831 0.10 0.00 O ATOM 0 H GLU A 136 25.011 1.354 2.654 1.00 0.00 H new ATOM 0 HA GLU A 136 23.988 -0.550 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 136 23.675 2.467 4.299 0.35 0.00 H new ATOM 0 HB3 GLU A 136 23.181 1.522 5.690 0.35 0.00 H new ATOM 0 HG2 GLU A 136 26.026 1.811 4.663 0.98 0.00 H new ATOM 0 HG3 GLU A 136 25.350 2.637 6.053 0.98 0.00 H new ATOM 2136 N TYR A 137 22.027 0.761 2.328 0.22 0.00 N ATOM 2137 CA TYR A 137 20.685 0.725 1.763 0.05 0.00 C ATOM 2138 C TYR A 137 20.347 -0.662 1.225 0.05 0.00 C ATOM 2139 O TYR A 137 19.302 -1.224 1.551 0.15 0.00 O ATOM 2140 CB TYR A 137 20.554 1.764 0.648 1.00 0.00 C ATOM 2141 CG TYR A 137 19.175 1.815 0.031 0.29 0.00 C ATOM 2142 CD1 TYR A 137 18.113 2.401 0.708 0.07 0.00 C ATOM 2143 CD2 TYR A 137 18.935 1.272 -1.225 1.00 0.00 C ATOM 2144 CE1 TYR A 137 16.849 2.443 0.151 0.11 0.00 C ATOM 2145 CE2 TYR A 137 17.675 1.313 -1.790 1.00 0.00 C ATOM 2146 CZ TYR A 137 16.636 1.897 -1.098 0.10 0.00 C ATOM 2147 OH TYR A 137 15.379 1.936 -1.656 0.17 0.00 O ATOM 0 H TYR A 137 22.720 1.221 1.738 0.22 0.00 H new ATOM 0 HA TYR A 137 19.980 0.961 2.560 0.05 0.00 H new ATOM 0 HB2 TYR A 137 20.801 2.747 1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 137 21.284 1.544 -0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 137 18.278 2.831 1.685 0.07 0.00 H new ATOM 0 HD2 TYR A 137 19.746 0.811 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 137 16.033 2.901 0.690 0.11 0.00 H new ATOM 0 HE2 TYR A 137 17.505 0.890 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 137 15.399 1.510 -2.538 0.17 0.00 H new ATOM 2157 N GLU A 138 21.238 -1.210 0.402 0.07 0.00 N ATOM 2158 CA GLU A 138 21.028 -2.531 -0.185 0.25 0.00 C ATOM 2159 C GLU A 138 20.841 -3.593 0.896 0.14 0.00 C ATOM 2160 O GLU A 138 19.994 -4.479 0.767 1.00 0.00 O ATOM 2161 CB GLU A 138 22.203 -2.908 -1.091 0.36 0.00 C ATOM 2162 CG GLU A 138 23.547 -2.915 -0.381 0.13 0.00 C ATOM 2163 CD GLU A 138 24.674 -3.401 -1.272 0.54 0.00 C ATOM 2164 OE1 GLU A 138 25.229 -2.576 -2.028 1.00 0.00 O ATOM 2165 OE2 GLU A 138 25.000 -4.605 -1.214 0.15 0.00 O ATOM 0 H GLU A 138 22.111 -0.760 0.127 0.07 0.00 H new ATOM 0 HA GLU A 138 20.118 -2.488 -0.783 0.25 0.00 H new ATOM 0 HB2 GLU A 138 22.021 -3.896 -1.514 0.36 0.00 H new ATOM 0 HB3 GLU A 138 22.247 -2.207 -1.925 0.36 0.00 H new ATOM 0 HG2 GLU A 138 23.774 -1.908 -0.031 0.13 0.00 H new ATOM 0 HG3 GLU A 138 23.485 -3.553 0.501 0.13 0.00 H new ATOM 2172 N LYS A 139 21.634 -3.501 1.958 0.60 0.00 N ATOM 2173 CA LYS A 139 21.552 -4.453 3.058 0.06 0.00 C ATOM 2174 C LYS A 139 20.236 -4.304 3.812 0.80 0.00 C ATOM 2175 O LYS A 139 19.703 -5.277 4.350 1.00 0.00 O ATOM 2176 CB LYS A 139 22.730 -4.263 4.013 1.00 0.00 C ATOM 2177 CG LYS A 139 24.069 -4.634 3.399 1.00 0.00 C ATOM 2178 CD LYS A 139 25.195 -4.509 4.409 0.20 0.00 C ATOM 2179 CE LYS A 139 26.544 -4.795 3.773 0.09 0.00 C ATOM 2180 NZ LYS A 139 27.654 -4.687 4.759 1.00 0.00 N ATOM 0 H LYS A 139 22.341 -2.776 2.080 0.60 0.00 H new ATOM 0 HA LYS A 139 21.594 -5.458 2.639 0.06 0.00 H new ATOM 0 HB2 LYS A 139 22.762 -3.222 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 139 22.567 -4.869 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 139 24.028 -5.656 3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 139 24.271 -3.988 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 139 25.196 -3.505 4.832 0.20 0.00 H new ATOM 0 HD3 LYS A 139 25.025 -5.202 5.233 0.20 0.00 H new ATOM 0 HE2 LYS A 139 26.537 -5.796 3.341 0.09 0.00 H new ATOM 0 HE3 LYS A 139 26.716 -4.096 2.955 0.09 0.00 H new ATOM 0 HZ1 LYS A 139 28.558 -4.889 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 27.676 -3.725 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 27.504 -5.372 5.527 1.00 0.00 H new ATOM 2194 N ARG A 140 19.717 -3.082 3.848 0.11 0.00 N ATOM 2195 CA ARG A 140 18.459 -2.806 4.532 0.14 0.00 C ATOM 2196 C ARG A 140 17.293 -3.468 3.806 1.00 0.00 C ATOM 2197 O ARG A 140 16.346 -3.942 4.435 0.20 0.00 O ATOM 2198 CB ARG A 140 18.224 -1.296 4.625 0.16 0.00 C ATOM 2199 CG ARG A 140 16.958 -0.919 5.381 0.11 0.00 C ATOM 2200 CD ARG A 140 17.094 -1.194 6.870 0.81 0.00 C ATOM 2201 NE ARG A 140 18.168 -0.407 7.474 0.13 0.00 N ATOM 2202 CZ ARG A 140 18.590 -0.568 8.724 0.19 0.00 C ATOM 2203 NH1 ARG A 140 18.026 -1.477 9.508 0.87 0.00 N ATOM 2204 NH2 ARG A 140 19.579 0.182 9.191 0.82 0.00 N ATOM 0 H ARG A 140 20.148 -2.267 3.412 0.11 0.00 H new ATOM 0 HA ARG A 140 18.522 -3.219 5.539 0.14 0.00 H new ATOM 0 HB2 ARG A 140 19.081 -0.833 5.115 0.16 0.00 H new ATOM 0 HB3 ARG A 140 18.172 -0.883 3.618 0.16 0.00 H new ATOM 0 HG2 ARG A 140 16.740 0.137 5.224 0.11 0.00 H new ATOM 0 HG3 ARG A 140 16.114 -1.481 4.982 0.11 0.00 H new ATOM 0 HD2 ARG A 140 16.152 -0.966 7.369 0.81 0.00 H new ATOM 0 HD3 ARG A 140 17.289 -2.255 7.027 0.81 0.00 H new ATOM 0 HE ARG A 140 18.620 0.307 6.903 0.13 0.00 H new ATOM 0 HH11 ARG A 140 17.265 -2.056 9.152 0.87 0.00 H new ATOM 0 HH12 ARG A 140 18.353 -1.597 10.467 0.87 0.00 H new ATOM 0 HH21 ARG A 140 20.015 0.882 8.591 0.82 0.00 H new ATOM 0 HH22 ARG A 140 19.903 0.059 10.150 0.82 0.00 H new ATOM 2218 N VAL A 141 17.370 -3.496 2.479 0.10 0.00 N ATOM 2219 CA VAL A 141 16.325 -4.100 1.663 0.38 0.00 C ATOM 2220 C VAL A 141 16.182 -5.586 1.969 0.19 0.00 C ATOM 2221 O VAL A 141 15.071 -6.105 2.065 0.10 0.00 O ATOM 2222 CB VAL A 141 16.610 -3.915 0.160 0.75 0.00 C ATOM 2223 CG1 VAL A 141 15.536 -4.591 -0.679 0.40 0.00 C ATOM 2224 CG2 VAL A 141 16.713 -2.437 -0.185 0.25 0.00 C ATOM 0 H VAL A 141 18.147 -3.106 1.946 0.10 0.00 H new ATOM 0 HA VAL A 141 15.393 -3.592 1.910 0.38 0.00 H new ATOM 0 HB VAL A 141 17.565 -4.387 -0.069 0.75 0.00 H new ATOM 0 HG11 VAL A 141 15.757 -4.448 -1.737 0.40 0.00 H new ATOM 0 HG12 VAL A 141 15.516 -5.657 -0.454 0.40 0.00 H new ATOM 0 HG13 VAL A 141 14.565 -4.153 -0.449 0.40 0.00 H new ATOM 0 HG21 VAL A 141 16.915 -2.325 -1.250 0.25 0.00 H new ATOM 0 HG22 VAL A 141 15.775 -1.940 0.061 0.25 0.00 H new ATOM 0 HG23 VAL A 141 17.524 -1.986 0.387 0.25 0.00 H new ATOM 2234 N SER A 142 17.312 -6.268 2.121 1.00 0.00 N ATOM 2235 CA SER A 142 17.309 -7.695 2.415 0.05 0.00 C ATOM 2236 C SER A 142 16.754 -7.963 3.810 0.06 0.00 C ATOM 2237 O SER A 142 16.159 -9.011 4.061 0.48 0.00 O ATOM 2238 CB SER A 142 18.723 -8.268 2.298 1.00 0.00 C ATOM 2239 OG SER A 142 18.738 -9.654 2.592 0.16 0.00 O ATOM 0 H SER A 142 18.242 -5.855 2.045 1.00 0.00 H new ATOM 0 HA SER A 142 16.665 -8.187 1.686 0.05 0.00 H new ATOM 0 HB2 SER A 142 19.103 -8.103 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 142 19.390 -7.741 2.981 1.00 0.00 H new ATOM 0 HG SER A 142 19.653 -9.996 2.509 0.16 0.00 H new ATOM 2245 N ALA A 143 16.954 -7.009 4.714 1.00 0.00 N ATOM 2246 CA ALA A 143 16.478 -7.142 6.086 0.48 0.00 C ATOM 2247 C ALA A 143 14.953 -7.096 6.155 1.00 0.00 C ATOM 2248 O ALA A 143 14.318 -8.023 6.656 0.15 0.00 O ATOM 2249 CB ALA A 143 17.078 -6.052 6.960 0.06 0.00 C ATOM 0 H ALA A 143 17.443 -6.135 4.521 1.00 0.00 H new ATOM 0 HA ALA A 143 16.800 -8.115 6.458 0.48 0.00 H new ATOM 0 HB1 ALA A 143 16.714 -6.163 7.981 0.06 0.00 H new ATOM 0 HB2 ALA A 143 18.165 -6.135 6.951 0.06 0.00 H new ATOM 0 HB3 ALA A 143 16.786 -5.075 6.575 0.06 0.00 H new ATOM 2255 N ILE A 144 14.374 -6.011 5.648 0.06 0.00 N ATOM 2256 CA ILE A 144 12.925 -5.839 5.658 0.11 0.00 C ATOM 2257 C ILE A 144 12.222 -6.987 4.936 0.35 0.00 C ATOM 2258 O ILE A 144 11.120 -7.386 5.314 1.00 0.00 O ATOM 2259 CB ILE A 144 12.508 -4.505 5.008 0.56 0.00 C ATOM 2260 CG1 ILE A 144 13.033 -4.419 3.574 0.15 0.00 C ATOM 2261 CG2 ILE A 144 13.018 -3.333 5.836 0.05 0.00 C ATOM 2262 CD1 ILE A 144 12.499 -3.231 2.803 0.25 0.00 C ATOM 0 H ILE A 144 14.887 -5.237 5.225 0.06 0.00 H new ATOM 0 HA ILE A 144 12.620 -5.834 6.705 0.11 0.00 H new ATOM 0 HB ILE A 144 11.419 -4.460 4.976 0.56 0.00 H new ATOM 0 HG12 ILE A 144 14.122 -4.367 3.597 0.15 0.00 H new ATOM 0 HG13 ILE A 144 12.769 -5.334 3.044 0.15 0.00 H new ATOM 0 HG21 ILE A 144 12.717 -2.397 5.366 0.05 0.00 H new ATOM 0 HG22 ILE A 144 12.597 -3.387 6.840 0.05 0.00 H new ATOM 0 HG23 ILE A 144 14.106 -3.375 5.895 0.05 0.00 H new ATOM 0 HD11 ILE A 144 12.914 -3.235 1.795 0.25 0.00 H new ATOM 0 HD12 ILE A 144 11.412 -3.292 2.748 0.25 0.00 H new ATOM 0 HD13 ILE A 144 12.786 -2.310 3.310 0.25 0.00 H new ATOM 2274 N VAL A 145 12.865 -7.514 3.899 1.00 0.00 N ATOM 2275 CA VAL A 145 12.301 -8.618 3.128 0.49 0.00 C ATOM 2276 C VAL A 145 12.422 -9.934 3.890 1.00 0.00 C ATOM 2277 O VAL A 145 11.523 -10.774 3.843 0.53 0.00 O ATOM 2278 CB VAL A 145 12.998 -8.755 1.757 0.21 0.00 C ATOM 2279 CG1 VAL A 145 12.565 -10.034 1.053 1.00 0.00 C ATOM 2280 CG2 VAL A 145 12.710 -7.544 0.883 0.50 0.00 C ATOM 0 H VAL A 145 13.777 -7.195 3.573 1.00 0.00 H new ATOM 0 HA VAL A 145 11.247 -8.394 2.967 0.49 0.00 H new ATOM 0 HB VAL A 145 14.073 -8.807 1.930 0.21 0.00 H new ATOM 0 HG11 VAL A 145 13.070 -10.108 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 145 12.829 -10.895 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 145 11.486 -10.016 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 145 13.211 -7.662 -0.078 0.50 0.00 H new ATOM 0 HG22 VAL A 145 11.635 -7.457 0.724 0.50 0.00 H new ATOM 0 HG23 VAL A 145 13.077 -6.644 1.376 0.50 0.00 H new ATOM 2290 N GLU A 146 13.537 -10.103 4.595 0.46 0.00 N ATOM 2291 CA GLU A 146 13.784 -11.319 5.364 0.48 0.00 C ATOM 2292 C GLU A 146 12.724 -11.518 6.444 0.06 0.00 C ATOM 2293 O GLU A 146 12.309 -12.643 6.721 0.13 0.00 O ATOM 2294 CB GLU A 146 15.175 -11.266 6.001 0.06 0.00 C ATOM 2295 CG GLU A 146 15.533 -12.517 6.785 1.00 0.00 C ATOM 2296 CD GLU A 146 16.921 -12.448 7.390 0.18 0.00 C ATOM 2297 OE1 GLU A 146 17.053 -11.920 8.515 0.79 0.00 O ATOM 2298 OE2 GLU A 146 17.878 -12.920 6.739 1.00 0.00 O ATOM 0 H GLU A 146 14.285 -9.412 4.650 0.46 0.00 H new ATOM 0 HA GLU A 146 13.732 -12.165 4.679 0.48 0.00 H new ATOM 0 HB2 GLU A 146 15.918 -11.113 5.219 0.06 0.00 H new ATOM 0 HB3 GLU A 146 15.229 -10.403 6.665 0.06 0.00 H new ATOM 0 HG2 GLU A 146 14.801 -12.665 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 146 15.470 -13.384 6.127 1.00 0.00 H new ATOM 2305 N GLN A 147 12.291 -10.418 7.053 1.00 0.00 N ATOM 2306 CA GLN A 147 11.284 -10.475 8.108 0.20 0.00 C ATOM 2307 C GLN A 147 9.953 -10.987 7.566 1.00 0.00 C ATOM 2308 O GLN A 147 9.196 -11.649 8.277 0.35 0.00 O ATOM 2309 CB GLN A 147 11.093 -9.093 8.737 0.34 0.00 C ATOM 2310 CG GLN A 147 12.372 -8.505 9.313 0.17 0.00 C ATOM 2311 CD GLN A 147 13.029 -9.416 10.332 0.43 0.00 C ATOM 2312 OE1 GLN A 147 12.741 -9.341 11.526 1.00 0.00 O ATOM 2313 NE2 GLN A 147 13.922 -10.281 9.863 0.84 0.00 N ATOM 0 H GLN A 147 12.621 -9.478 6.835 1.00 0.00 H new ATOM 0 HA GLN A 147 11.636 -11.169 8.871 0.20 0.00 H new ATOM 0 HB2 GLN A 147 10.697 -8.412 7.984 0.34 0.00 H new ATOM 0 HB3 GLN A 147 10.346 -9.163 9.528 0.34 0.00 H new ATOM 0 HG2 GLN A 147 13.074 -8.308 8.502 0.17 0.00 H new ATOM 0 HG3 GLN A 147 12.148 -7.546 9.780 0.17 0.00 H new ATOM 0 HE21 GLN A 147 14.130 -10.309 8.865 0.84 0.00 H new ATOM 0 HE22 GLN A 147 14.400 -10.917 10.501 0.84 0.00 H new ATOM 2322 N SER A 148 9.673 -10.678 6.304 0.59 0.00 N ATOM 2323 CA SER A 148 8.431 -11.106 5.670 0.06 0.00 C ATOM 2324 C SER A 148 8.677 -12.252 4.693 0.38 0.00 C ATOM 2325 O SER A 148 7.793 -12.622 3.922 0.28 0.00 O ATOM 2326 CB SER A 148 7.776 -9.930 4.943 0.20 0.00 C ATOM 2327 OG SER A 148 6.543 -10.313 4.359 0.14 0.00 O ATOM 0 H SER A 148 10.289 -10.133 5.700 0.59 0.00 H new ATOM 0 HA SER A 148 7.760 -11.463 6.451 0.06 0.00 H new ATOM 0 HB2 SER A 148 7.611 -9.112 5.644 0.20 0.00 H new ATOM 0 HB3 SER A 148 8.448 -9.557 4.170 0.20 0.00 H new ATOM 0 HG SER A 148 6.582 -11.258 4.102 0.14 0.00 H new ATOM 2333 N TRP A 149 9.883 -12.816 4.731 0.99 0.00 N ATOM 2334 CA TRP A 149 10.233 -13.919 3.845 0.63 0.00 C ATOM 2335 C TRP A 149 9.858 -15.256 4.477 0.14 0.00 C ATOM 2336 O TRP A 149 9.803 -16.282 3.799 0.05 0.00 O ATOM 2337 CB TRP A 149 11.730 -13.895 3.523 0.35 0.00 C ATOM 2338 CG TRP A 149 12.056 -14.450 2.170 0.05 0.00 C ATOM 2339 CD1 TRP A 149 11.997 -13.789 0.978 1.00 0.00 C ATOM 2340 CD2 TRP A 149 12.499 -15.781 1.871 0.13 0.00 C ATOM 2341 NE1 TRP A 149 12.373 -14.625 -0.046 0.08 0.00 N ATOM 2342 CE2 TRP A 149 12.686 -15.853 0.477 0.10 0.00 C ATOM 2343 CE3 TRP A 149 12.755 -16.917 2.644 0.77 0.00 C ATOM 2344 CZ2 TRP A 149 13.117 -17.015 -0.157 0.45 0.00 C ATOM 2345 CZ3 TRP A 149 13.183 -18.071 2.013 0.17 0.00 C ATOM 2346 CH2 TRP A 149 13.360 -18.110 0.624 1.00 0.00 C ATOM 0 H TRP A 149 10.629 -12.527 5.363 0.99 0.00 H new ATOM 0 HA TRP A 149 9.672 -13.800 2.918 0.63 0.00 H new ATOM 0 HB2 TRP A 149 12.091 -12.868 3.583 0.35 0.00 H new ATOM 0 HB3 TRP A 149 12.266 -14.466 4.281 0.35 0.00 H new ATOM 0 HD1 TRP A 149 11.698 -12.758 0.857 1.00 0.00 H new ATOM 0 HE1 TRP A 149 12.413 -14.373 -1.034 0.08 0.00 H new ATOM 0 HE3 TRP A 149 12.621 -16.894 3.715 0.77 0.00 H new ATOM 0 HZ2 TRP A 149 13.254 -17.050 -1.228 0.45 0.00 H new ATOM 0 HZ3 TRP A 149 13.384 -18.955 2.600 0.17 0.00 H new ATOM 0 HH2 TRP A 149 13.696 -19.026 0.160 1.00 0.00 H new