USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 815 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 23 CYS SG : rot 117:sc= -2.67! USER MOD Set 1.2: A 97 CYS SG : rot 144:sc= -2.23! USER MOD Set 2.1: A 83 GLN : amide:sc= 0.46 K(o=-0.18,f=-5.1!) USER MOD Set 2.2: A 85 ASN : amide:sc= -0.639 K(o=-0.18,f=-8.2!) USER MOD Single : A 4 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.852 K(o=-0.85,f=-2.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 92:sc= 0.317 USER MOD Single : A 26 SER OG : rot -5:sc= 1.6 USER MOD Single : A 29 THR OG1 : rot 160:sc= -2.36! USER MOD Single : A 32 SER OG : rot 122:sc= 0.546 USER MOD Single : A 33 ASN : amide:sc= -0.156 K(o=-0.16,f=-4.1!) USER MOD Single : A 35 MET CE :methyl -119:sc= -0.0188 (180deg=-1.07) USER MOD Single : A 40 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 170:sc= -0.483 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 0.519 (180deg=0.285) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= 0.77 (180deg=0.324) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0168 F(o=-0.73,f=-0.017) USER MOD Single : A 79 THR OG1 : rot 59:sc= 0.167 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -131:sc= -0.211 (180deg=-2.34!) USER MOD Single : A 86 SER OG : rot 160:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 156:sc= -1.18 (180deg=-1.68!) USER MOD Single : A 92 THR OG1 : rot 85:sc= 0.329 USER MOD Single : A 95 TYR OH : rot -146:sc= 0.289 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.257 F(o=-1.4,f=-0.26) USER MOD Single : A 117 THR OG1 : rot 160:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.771 F(o=-2,f=-0.77) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.260 4.173 -6.261 1.00 0.00 N ATOM 38 CA LEU A 3 1.194 4.723 -7.254 1.00 0.00 C ATOM 39 C LEU A 3 1.220 6.252 -7.158 1.00 0.00 C ATOM 40 O LEU A 3 0.231 6.931 -7.457 1.00 0.00 O ATOM 41 CB LEU A 3 0.852 4.269 -8.710 1.00 0.00 C ATOM 42 CG LEU A 3 1.407 2.884 -9.145 1.00 0.00 C ATOM 43 CD1 LEU A 3 2.942 2.853 -8.993 1.00 0.00 C ATOM 44 CD2 LEU A 3 0.717 1.732 -8.388 1.00 0.00 C ATOM 0 HA LEU A 3 2.184 4.329 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.233 4.253 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.230 5.022 -9.401 1.00 0.00 H new ATOM 0 HG LEU A 3 1.176 2.734 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.318 1.878 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.385 3.627 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.208 3.032 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.131 0.780 -8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.885 1.848 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.354 1.752 -8.592 1.00 0.00 H new ATOM 56 N GLN A 4 2.359 6.757 -6.691 1.00 0.00 N ATOM 57 CA GLN A 4 2.701 8.171 -6.701 1.00 0.00 C ATOM 58 C GLN A 4 3.693 8.384 -7.849 1.00 0.00 C ATOM 59 O GLN A 4 4.638 7.609 -7.984 1.00 0.00 O ATOM 60 CB GLN A 4 3.349 8.570 -5.342 1.00 0.00 C ATOM 61 CG GLN A 4 2.666 7.969 -4.089 1.00 0.00 C ATOM 62 CD GLN A 4 3.355 8.316 -2.762 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.379 7.510 -1.835 1.00 0.00 O ATOM 64 NE2 GLN A 4 3.878 9.528 -2.639 1.00 0.00 N ATOM 0 H GLN A 4 3.089 6.173 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 4 1.814 8.789 -6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.394 8.261 -5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.338 9.657 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.634 8.318 -4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.632 6.885 -4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.846 10.179 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.313 9.809 -1.760 1.00 0.00 H new ATOM 73 N LEU A 5 3.486 9.393 -8.690 1.00 0.00 N ATOM 74 CA LEU A 5 4.392 9.666 -9.820 1.00 0.00 C ATOM 75 C LEU A 5 4.931 11.091 -9.677 1.00 0.00 C ATOM 76 O LEU A 5 4.156 12.056 -9.645 1.00 0.00 O ATOM 77 CB LEU A 5 3.666 9.447 -11.177 1.00 0.00 C ATOM 78 CG LEU A 5 3.029 8.030 -11.396 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.229 7.972 -12.710 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.096 6.907 -11.340 1.00 0.00 C ATOM 0 H LEU A 5 2.701 10.040 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 5 5.231 8.970 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.879 10.195 -11.270 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.378 9.631 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 5 2.333 7.859 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.801 6.977 -12.832 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.428 8.711 -12.681 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.891 8.187 -13.549 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.616 5.941 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.840 7.073 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.584 6.917 -10.365 1.00 0.00 H new ATOM 92 N VAL A 6 6.268 11.211 -9.574 1.00 0.00 N ATOM 93 CA VAL A 6 6.943 12.493 -9.345 1.00 0.00 C ATOM 94 C VAL A 6 7.373 13.028 -10.713 1.00 0.00 C ATOM 95 O VAL A 6 8.396 12.614 -11.269 1.00 0.00 O ATOM 96 CB VAL A 6 8.206 12.310 -8.411 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.901 13.666 -8.112 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.832 11.564 -7.104 1.00 0.00 C ATOM 0 H VAL A 6 6.907 10.419 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 6 6.269 13.189 -8.845 1.00 0.00 H new ATOM 0 HB VAL A 6 8.925 11.694 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.764 13.498 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.229 14.121 -9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.198 14.332 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.720 11.453 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.078 12.135 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.434 10.579 -7.348 1.00 0.00 H new ATOM 108 N GLU A 7 6.572 13.963 -11.234 1.00 0.00 N ATOM 109 CA GLU A 7 6.711 14.483 -12.596 1.00 0.00 C ATOM 110 C GLU A 7 7.540 15.775 -12.574 1.00 0.00 C ATOM 111 O GLU A 7 7.198 16.732 -11.870 1.00 0.00 O ATOM 112 CB GLU A 7 5.305 14.708 -13.208 1.00 0.00 C ATOM 113 CG GLU A 7 4.460 13.422 -13.334 1.00 0.00 C ATOM 114 CD GLU A 7 3.076 13.648 -13.968 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.054 13.197 -13.392 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.007 14.273 -15.047 1.00 0.00 O ATOM 0 H GLU A 7 5.801 14.384 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 7 7.238 13.763 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.764 15.427 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.418 15.154 -14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.009 12.695 -13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.329 12.986 -12.344 1.00 0.00 H new ATOM 123 N SER A 8 8.628 15.774 -13.355 1.00 0.00 N ATOM 124 CA SER A 8 9.648 16.829 -13.365 1.00 0.00 C ATOM 125 C SER A 8 9.933 17.263 -14.812 1.00 0.00 C ATOM 126 O SER A 8 9.736 16.485 -15.750 1.00 0.00 O ATOM 127 CB SER A 8 10.928 16.293 -12.679 1.00 0.00 C ATOM 128 OG SER A 8 10.642 15.813 -11.367 1.00 0.00 O ATOM 0 H SER A 8 8.828 15.021 -14.013 1.00 0.00 H new ATOM 0 HA SER A 8 9.294 17.702 -12.817 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.357 15.490 -13.278 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.675 17.085 -12.626 1.00 0.00 H new ATOM 0 HG SER A 8 11.465 15.478 -10.954 1.00 0.00 H new ATOM 134 N GLY A 9 10.398 18.510 -14.967 1.00 0.00 N ATOM 135 CA GLY A 9 10.725 19.089 -16.278 1.00 0.00 C ATOM 136 C GLY A 9 9.652 20.043 -16.793 1.00 0.00 C ATOM 137 O GLY A 9 9.672 20.426 -17.965 1.00 0.00 O ATOM 0 H GLY A 9 10.558 19.147 -14.186 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.673 19.622 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.865 18.284 -17.000 1.00 0.00 H new ATOM 141 N GLY A 10 8.703 20.412 -15.906 1.00 0.00 N ATOM 142 CA GLY A 10 7.626 21.352 -16.237 1.00 0.00 C ATOM 143 C GLY A 10 8.116 22.794 -16.287 1.00 0.00 C ATOM 144 O GLY A 10 7.859 23.588 -15.379 1.00 0.00 O ATOM 0 H GLY A 10 8.667 20.065 -14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.195 21.083 -17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.831 21.266 -15.497 1.00 0.00 H new ATOM 148 N GLY A 11 8.836 23.117 -17.362 1.00 0.00 N ATOM 149 CA GLY A 11 9.394 24.453 -17.575 1.00 0.00 C ATOM 150 C GLY A 11 8.803 25.117 -18.798 1.00 0.00 C ATOM 151 O GLY A 11 7.766 24.673 -19.320 1.00 0.00 O ATOM 0 H GLY A 11 9.049 22.458 -18.111 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.204 25.071 -16.698 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.476 24.382 -17.686 1.00 0.00 H new ATOM 155 N LEU A 12 9.468 26.183 -19.268 1.00 0.00 N ATOM 156 CA LEU A 12 9.053 26.910 -20.458 1.00 0.00 C ATOM 157 C LEU A 12 10.139 26.799 -21.534 1.00 0.00 C ATOM 158 O LEU A 12 11.313 27.078 -21.275 1.00 0.00 O ATOM 159 CB LEU A 12 8.721 28.390 -20.107 1.00 0.00 C ATOM 160 CG LEU A 12 7.885 29.204 -21.166 1.00 0.00 C ATOM 161 CD1 LEU A 12 7.209 30.440 -20.532 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.728 29.623 -22.383 1.00 0.00 C ATOM 0 H LEU A 12 10.308 26.559 -18.827 1.00 0.00 H new ATOM 0 HA LEU A 12 8.140 26.467 -20.857 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.175 28.401 -19.163 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.660 28.917 -19.938 1.00 0.00 H new ATOM 0 HG LEU A 12 7.106 28.529 -21.520 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.642 30.975 -21.294 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.536 30.119 -19.737 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.972 31.099 -20.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.105 30.181 -23.082 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.556 30.251 -22.053 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.121 28.734 -22.877 1.00 0.00 H new ATOM 174 N VAL A 13 9.722 26.372 -22.739 1.00 0.00 N ATOM 175 CA VAL A 13 10.539 26.419 -23.958 1.00 0.00 C ATOM 176 C VAL A 13 9.783 27.210 -25.037 1.00 0.00 C ATOM 177 O VAL A 13 8.573 27.415 -24.930 1.00 0.00 O ATOM 178 CB VAL A 13 10.911 24.981 -24.499 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.729 24.178 -23.456 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.652 24.192 -24.952 1.00 0.00 C ATOM 0 H VAL A 13 8.793 25.979 -22.892 1.00 0.00 H new ATOM 0 HA VAL A 13 11.479 26.912 -23.710 1.00 0.00 H new ATOM 0 HB VAL A 13 11.540 25.122 -25.378 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.968 23.194 -23.860 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.652 24.711 -23.229 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.143 24.063 -22.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.950 23.209 -25.317 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.973 24.075 -24.108 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.148 24.738 -25.750 1.00 0.00 H new ATOM 190 N GLN A 14 10.513 27.678 -26.046 1.00 0.00 N ATOM 191 CA GLN A 14 9.933 28.376 -27.205 1.00 0.00 C ATOM 192 C GLN A 14 9.363 27.366 -28.223 1.00 0.00 C ATOM 193 O GLN A 14 9.734 26.179 -28.216 1.00 0.00 O ATOM 194 CB GLN A 14 10.981 29.320 -27.889 1.00 0.00 C ATOM 195 CG GLN A 14 12.176 28.638 -28.595 1.00 0.00 C ATOM 196 CD GLN A 14 13.172 27.952 -27.659 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.366 28.371 -26.515 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.816 26.903 -28.141 1.00 0.00 N ATOM 0 H GLN A 14 11.528 27.587 -26.089 1.00 0.00 H new ATOM 0 HA GLN A 14 9.115 28.997 -26.841 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.458 29.934 -28.623 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.375 29.996 -27.131 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.790 27.898 -29.297 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.708 29.387 -29.182 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.631 26.584 -29.092 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.498 26.413 -27.562 1.00 0.00 H new ATOM 207 N ALA A 15 8.430 27.850 -29.070 1.00 0.00 N ATOM 208 CA ALA A 15 7.875 27.084 -30.206 1.00 0.00 C ATOM 209 C ALA A 15 8.998 26.670 -31.180 1.00 0.00 C ATOM 210 O ALA A 15 9.648 27.530 -31.792 1.00 0.00 O ATOM 211 CB ALA A 15 6.792 27.909 -30.927 1.00 0.00 C ATOM 0 H ALA A 15 8.039 28.788 -28.984 1.00 0.00 H new ATOM 0 HA ALA A 15 7.412 26.175 -29.823 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.392 27.333 -31.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.988 28.143 -30.229 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.229 28.835 -31.301 1.00 0.00 H new ATOM 217 N GLY A 16 9.225 25.353 -31.278 1.00 0.00 N ATOM 218 CA GLY A 16 10.304 24.767 -32.072 1.00 0.00 C ATOM 219 C GLY A 16 11.343 24.071 -31.199 1.00 0.00 C ATOM 220 O GLY A 16 12.012 23.127 -31.647 1.00 0.00 O ATOM 0 H GLY A 16 8.653 24.657 -30.799 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.886 24.050 -32.779 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.788 25.548 -32.658 1.00 0.00 H new ATOM 224 N GLY A 17 11.444 24.519 -29.933 1.00 0.00 N ATOM 225 CA GLY A 17 12.399 23.963 -28.974 1.00 0.00 C ATOM 226 C GLY A 17 12.013 22.580 -28.454 1.00 0.00 C ATOM 227 O GLY A 17 10.871 22.132 -28.620 1.00 0.00 O ATOM 0 H GLY A 17 10.868 25.271 -29.555 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.380 23.903 -29.445 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.492 24.646 -28.130 1.00 0.00 H new ATOM 231 N SER A 18 12.989 21.899 -27.837 1.00 0.00 N ATOM 232 CA SER A 18 12.813 20.562 -27.246 1.00 0.00 C ATOM 233 C SER A 18 12.738 20.660 -25.708 1.00 0.00 C ATOM 234 O SER A 18 13.277 21.602 -25.111 1.00 0.00 O ATOM 235 CB SER A 18 13.983 19.640 -27.681 1.00 0.00 C ATOM 236 OG SER A 18 15.257 20.197 -27.368 1.00 0.00 O ATOM 0 H SER A 18 13.935 22.265 -27.732 1.00 0.00 H new ATOM 0 HA SER A 18 11.877 20.134 -27.604 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.882 18.672 -27.190 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.921 19.461 -28.754 1.00 0.00 H new ATOM 0 HG SER A 18 15.963 19.582 -27.658 1.00 0.00 H new ATOM 242 N LEU A 19 12.093 19.663 -25.090 1.00 0.00 N ATOM 243 CA LEU A 19 11.908 19.578 -23.633 1.00 0.00 C ATOM 244 C LEU A 19 11.776 18.098 -23.245 1.00 0.00 C ATOM 245 O LEU A 19 11.097 17.332 -23.937 1.00 0.00 O ATOM 246 CB LEU A 19 10.646 20.375 -23.192 1.00 0.00 C ATOM 247 CG LEU A 19 10.331 20.415 -21.659 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.462 21.107 -20.867 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.957 21.082 -21.390 1.00 0.00 C ATOM 0 H LEU A 19 11.678 18.880 -25.595 1.00 0.00 H new ATOM 0 HA LEU A 19 12.768 20.017 -23.126 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.754 21.401 -23.543 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.782 19.952 -23.705 1.00 0.00 H new ATOM 0 HG LEU A 19 10.274 19.386 -21.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.210 21.117 -19.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.395 20.562 -21.013 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.581 22.131 -21.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.763 21.097 -20.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.968 22.103 -21.771 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.173 20.516 -21.893 1.00 0.00 H new ATOM 261 N ARG A 20 12.447 17.701 -22.152 1.00 0.00 N ATOM 262 CA ARG A 20 12.387 16.327 -21.628 1.00 0.00 C ATOM 263 C ARG A 20 11.751 16.324 -20.232 1.00 0.00 C ATOM 264 O ARG A 20 12.103 17.139 -19.367 1.00 0.00 O ATOM 265 CB ARG A 20 13.799 15.686 -21.572 1.00 0.00 C ATOM 266 CG ARG A 20 13.814 14.210 -21.092 1.00 0.00 C ATOM 267 CD ARG A 20 15.237 13.631 -21.005 1.00 0.00 C ATOM 268 NE ARG A 20 15.932 13.695 -22.302 1.00 0.00 N ATOM 269 CZ ARG A 20 17.262 13.707 -22.484 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.102 13.645 -21.448 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.743 13.796 -23.717 1.00 0.00 N ATOM 0 H ARG A 20 13.045 18.322 -21.607 1.00 0.00 H new ATOM 0 HA ARG A 20 11.773 15.733 -22.304 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.248 15.737 -22.564 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.428 16.278 -20.907 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.339 14.145 -20.113 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.220 13.603 -21.776 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.809 14.182 -20.258 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.188 12.595 -20.669 1.00 0.00 H new ATOM 0 HE ARG A 20 15.349 13.734 -23.138 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.736 13.587 -20.498 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.109 13.655 -21.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.105 13.854 -24.510 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.751 13.806 -23.872 1.00 0.00 H new ATOM 285 N LEU A 21 10.802 15.404 -20.038 1.00 0.00 N ATOM 286 CA LEU A 21 10.143 15.157 -18.755 1.00 0.00 C ATOM 287 C LEU A 21 10.765 13.910 -18.108 1.00 0.00 C ATOM 288 O LEU A 21 11.361 13.074 -18.803 1.00 0.00 O ATOM 289 CB LEU A 21 8.607 14.970 -18.949 1.00 0.00 C ATOM 290 CG LEU A 21 7.799 16.200 -19.490 1.00 0.00 C ATOM 291 CD1 LEU A 21 8.060 17.453 -18.646 1.00 0.00 C ATOM 292 CD2 LEU A 21 8.058 16.466 -20.988 1.00 0.00 C ATOM 0 H LEU A 21 10.464 14.798 -20.785 1.00 0.00 H new ATOM 0 HA LEU A 21 10.289 16.017 -18.101 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.452 14.136 -19.634 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.178 14.679 -17.990 1.00 0.00 H new ATOM 0 HG LEU A 21 6.743 15.946 -19.397 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.485 18.288 -19.047 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.758 17.267 -17.615 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.122 17.696 -18.675 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.474 17.328 -21.311 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.118 16.667 -21.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.765 15.591 -21.569 1.00 0.00 H new ATOM 304 N SER A 22 10.635 13.803 -16.784 1.00 0.00 N ATOM 305 CA SER A 22 11.172 12.684 -15.999 1.00 0.00 C ATOM 306 C SER A 22 10.207 12.383 -14.848 1.00 0.00 C ATOM 307 O SER A 22 9.849 13.283 -14.085 1.00 0.00 O ATOM 308 CB SER A 22 12.576 13.045 -15.462 1.00 0.00 C ATOM 309 OG SER A 22 13.182 11.962 -14.767 1.00 0.00 O ATOM 0 H SER A 22 10.148 14.498 -16.218 1.00 0.00 H new ATOM 0 HA SER A 22 11.269 11.797 -16.625 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.215 13.344 -16.293 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.498 13.904 -14.795 1.00 0.00 H new ATOM 0 HG SER A 22 13.718 11.431 -15.392 1.00 0.00 H new ATOM 315 N CYS A 23 9.794 11.116 -14.728 1.00 0.00 N ATOM 316 CA CYS A 23 8.782 10.681 -13.757 1.00 0.00 C ATOM 317 C CYS A 23 9.305 9.503 -12.931 1.00 0.00 C ATOM 318 O CYS A 23 9.395 8.382 -13.432 1.00 0.00 O ATOM 319 CB CYS A 23 7.482 10.287 -14.489 1.00 0.00 C ATOM 320 SG CYS A 23 6.190 9.663 -13.393 1.00 0.00 S ATOM 0 H CYS A 23 10.155 10.357 -15.306 1.00 0.00 H new ATOM 0 HA CYS A 23 8.568 11.508 -13.080 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.101 11.155 -15.027 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.712 9.526 -15.235 1.00 0.00 H new ATOM 0 HG CYS A 23 5.161 10.456 -13.440 1.00 0.00 H new ATOM 326 N VAL A 24 9.669 9.763 -11.664 1.00 0.00 N ATOM 327 CA VAL A 24 10.121 8.711 -10.737 1.00 0.00 C ATOM 328 C VAL A 24 8.884 8.076 -10.074 1.00 0.00 C ATOM 329 O VAL A 24 8.025 8.792 -9.540 1.00 0.00 O ATOM 330 CB VAL A 24 11.084 9.276 -9.635 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.632 8.141 -8.727 1.00 0.00 C ATOM 332 CG2 VAL A 24 12.237 10.100 -10.270 1.00 0.00 C ATOM 0 H VAL A 24 9.659 10.698 -11.256 1.00 0.00 H new ATOM 0 HA VAL A 24 10.679 7.966 -11.304 1.00 0.00 H new ATOM 0 HB VAL A 24 10.506 9.949 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.296 8.566 -7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.801 7.636 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.184 7.424 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.889 10.480 -9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.812 9.463 -10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.820 10.937 -10.831 1.00 0.00 H new ATOM 342 N ALA A 25 8.806 6.736 -10.089 1.00 0.00 N ATOM 343 CA ALA A 25 7.625 6.016 -9.607 1.00 0.00 C ATOM 344 C ALA A 25 7.739 5.751 -8.095 1.00 0.00 C ATOM 345 O ALA A 25 8.440 4.832 -7.668 1.00 0.00 O ATOM 346 CB ALA A 25 7.454 4.698 -10.396 1.00 0.00 C ATOM 0 H ALA A 25 9.552 6.131 -10.432 1.00 0.00 H new ATOM 0 HA ALA A 25 6.739 6.630 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.574 4.168 -10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.331 4.922 -11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.337 4.074 -10.257 1.00 0.00 H new ATOM 352 N SER A 26 7.078 6.629 -7.310 1.00 0.00 N ATOM 353 CA SER A 26 6.863 6.481 -5.847 1.00 0.00 C ATOM 354 C SER A 26 8.183 6.328 -5.057 1.00 0.00 C ATOM 355 O SER A 26 8.205 5.714 -3.984 1.00 0.00 O ATOM 356 CB SER A 26 5.915 5.287 -5.579 1.00 0.00 C ATOM 357 OG SER A 26 4.780 5.290 -6.432 1.00 0.00 O ATOM 0 H SER A 26 6.667 7.485 -7.683 1.00 0.00 H new ATOM 0 HA SER A 26 6.402 7.401 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.464 4.355 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.585 5.316 -4.541 1.00 0.00 H new ATOM 0 HG SER A 26 4.784 6.103 -6.979 1.00 0.00 H new ATOM 363 N GLY A 27 9.260 6.915 -5.580 1.00 0.00 N ATOM 364 CA GLY A 27 10.595 6.736 -5.012 1.00 0.00 C ATOM 365 C GLY A 27 11.217 5.402 -5.426 1.00 0.00 C ATOM 366 O GLY A 27 11.642 4.611 -4.574 1.00 0.00 O ATOM 0 H GLY A 27 9.232 7.521 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.240 7.553 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.537 6.787 -3.925 1.00 0.00 H new ATOM 370 N ARG A 28 11.194 5.149 -6.753 1.00 0.00 N ATOM 371 CA ARG A 28 11.898 4.014 -7.410 1.00 0.00 C ATOM 372 C ARG A 28 11.276 2.638 -7.074 1.00 0.00 C ATOM 373 O ARG A 28 11.946 1.602 -7.187 1.00 0.00 O ATOM 374 CB ARG A 28 13.426 4.053 -7.082 1.00 0.00 C ATOM 375 CG ARG A 28 14.127 5.345 -7.555 1.00 0.00 C ATOM 376 CD ARG A 28 15.628 5.380 -7.247 1.00 0.00 C ATOM 377 NE ARG A 28 16.278 6.508 -7.933 1.00 0.00 N ATOM 378 CZ ARG A 28 17.417 7.095 -7.563 1.00 0.00 C ATOM 379 NH1 ARG A 28 18.060 6.718 -6.462 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.899 8.076 -8.303 1.00 0.00 N ATOM 0 H ARG A 28 10.680 5.733 -7.412 1.00 0.00 H new ATOM 0 HA ARG A 28 11.771 4.140 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.561 3.950 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.911 3.195 -7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.983 5.453 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.648 6.202 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.781 5.466 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.090 4.444 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 28 15.816 6.874 -8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.683 5.967 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.930 7.180 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.402 8.373 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.769 8.537 -8.035 1.00 0.00 H new ATOM 394 N THR A 29 9.983 2.627 -6.709 1.00 0.00 N ATOM 395 CA THR A 29 9.240 1.387 -6.439 1.00 0.00 C ATOM 396 C THR A 29 8.623 0.838 -7.744 1.00 0.00 C ATOM 397 O THR A 29 8.354 1.595 -8.687 1.00 0.00 O ATOM 398 CB THR A 29 8.115 1.606 -5.373 1.00 0.00 C ATOM 399 OG1 THR A 29 7.070 2.423 -5.911 1.00 0.00 O ATOM 400 CG2 THR A 29 8.650 2.271 -4.092 1.00 0.00 C ATOM 0 H THR A 29 9.426 3.474 -6.594 1.00 0.00 H new ATOM 0 HA THR A 29 9.948 0.662 -6.038 1.00 0.00 H new ATOM 0 HB THR A 29 7.730 0.619 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.252 2.295 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.833 2.403 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.419 1.639 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.077 3.243 -4.338 1.00 0.00 H new ATOM 408 N PHE A 30 8.415 -0.489 -7.790 1.00 0.00 N ATOM 409 CA PHE A 30 7.775 -1.178 -8.921 1.00 0.00 C ATOM 410 C PHE A 30 6.388 -1.700 -8.496 1.00 0.00 C ATOM 411 O PHE A 30 6.269 -2.454 -7.525 1.00 0.00 O ATOM 412 CB PHE A 30 8.661 -2.352 -9.422 1.00 0.00 C ATOM 413 CG PHE A 30 8.114 -3.079 -10.660 1.00 0.00 C ATOM 414 CD1 PHE A 30 7.241 -4.171 -10.539 1.00 0.00 C ATOM 415 CD2 PHE A 30 8.468 -2.670 -11.947 1.00 0.00 C ATOM 416 CE1 PHE A 30 6.746 -4.820 -11.655 1.00 0.00 C ATOM 417 CE2 PHE A 30 7.972 -3.323 -13.064 1.00 0.00 C ATOM 418 CZ PHE A 30 7.110 -4.394 -12.918 1.00 0.00 C ATOM 0 H PHE A 30 8.689 -1.118 -7.036 1.00 0.00 H new ATOM 0 HA PHE A 30 7.655 -0.469 -9.740 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.655 -1.968 -9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.777 -3.074 -8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.950 -4.511 -9.556 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.138 -1.833 -12.074 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.076 -5.659 -11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.260 -2.994 -14.052 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.721 -4.897 -13.791 1.00 0.00 H new ATOM 428 N ARG A 31 5.356 -1.274 -9.234 1.00 0.00 N ATOM 429 CA ARG A 31 3.989 -1.835 -9.172 1.00 0.00 C ATOM 430 C ARG A 31 3.381 -1.770 -10.579 1.00 0.00 C ATOM 431 O ARG A 31 2.846 -2.760 -11.096 1.00 0.00 O ATOM 432 CB ARG A 31 3.066 -1.051 -8.192 1.00 0.00 C ATOM 433 CG ARG A 31 3.315 -1.280 -6.685 1.00 0.00 C ATOM 434 CD ARG A 31 2.285 -0.536 -5.816 1.00 0.00 C ATOM 435 NE ARG A 31 2.422 -0.845 -4.382 1.00 0.00 N ATOM 436 CZ ARG A 31 1.508 -0.570 -3.442 1.00 0.00 C ATOM 437 NH1 ARG A 31 0.367 0.042 -3.750 1.00 0.00 N ATOM 438 NH2 ARG A 31 1.756 -0.890 -2.187 1.00 0.00 N ATOM 0 H ARG A 31 5.444 -0.513 -9.908 1.00 0.00 H new ATOM 0 HA ARG A 31 4.060 -2.859 -8.807 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.174 0.014 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.031 -1.315 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.271 -2.347 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.319 -0.943 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.398 0.538 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.280 -0.799 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 31 3.281 -1.305 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.176 0.310 -4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.317 0.243 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.636 -1.342 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.067 -0.685 -1.463 1.00 0.00 H new ATOM 452 N SER A 32 3.472 -0.575 -11.177 1.00 0.00 N ATOM 453 CA SER A 32 2.855 -0.274 -12.466 1.00 0.00 C ATOM 454 C SER A 32 3.610 -0.944 -13.639 1.00 0.00 C ATOM 455 O SER A 32 4.707 -0.523 -14.016 1.00 0.00 O ATOM 456 CB SER A 32 2.768 1.260 -12.637 1.00 0.00 C ATOM 457 OG SER A 32 4.007 1.891 -12.346 1.00 0.00 O ATOM 0 H SER A 32 3.980 0.212 -10.774 1.00 0.00 H new ATOM 0 HA SER A 32 1.848 -0.691 -12.483 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.470 1.496 -13.659 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.994 1.656 -11.980 1.00 0.00 H new ATOM 0 HG SER A 32 4.307 2.400 -13.128 1.00 0.00 H new ATOM 463 N ASN A 33 3.019 -2.035 -14.158 1.00 0.00 N ATOM 464 CA ASN A 33 3.426 -2.663 -15.436 1.00 0.00 C ATOM 465 C ASN A 33 2.651 -2.020 -16.614 1.00 0.00 C ATOM 466 O ASN A 33 2.998 -2.205 -17.786 1.00 0.00 O ATOM 467 CB ASN A 33 3.200 -4.204 -15.383 1.00 0.00 C ATOM 468 CG ASN A 33 1.779 -4.633 -14.969 1.00 0.00 C ATOM 469 OD1 ASN A 33 0.803 -3.920 -15.169 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.660 -5.811 -14.387 1.00 0.00 N ATOM 0 H ASN A 33 2.241 -2.512 -13.703 1.00 0.00 H new ATOM 0 HA ASN A 33 4.490 -2.490 -15.594 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.420 -4.624 -16.365 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.914 -4.638 -14.683 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.742 -6.145 -14.094 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.486 -6.388 -14.230 1.00 0.00 H new ATOM 477 N ALA A 34 1.591 -1.271 -16.258 1.00 0.00 N ATOM 478 CA ALA A 34 0.764 -0.497 -17.188 1.00 0.00 C ATOM 479 C ALA A 34 0.924 0.994 -16.850 1.00 0.00 C ATOM 480 O ALA A 34 0.666 1.411 -15.716 1.00 0.00 O ATOM 481 CB ALA A 34 -0.708 -0.933 -17.058 1.00 0.00 C ATOM 0 H ALA A 34 1.282 -1.189 -15.289 1.00 0.00 H new ATOM 0 HA ALA A 34 1.079 -0.671 -18.217 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.321 -0.356 -17.751 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.795 -1.994 -17.293 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.051 -0.758 -16.038 1.00 0.00 H new ATOM 487 N MET A 35 1.378 1.777 -17.834 1.00 0.00 N ATOM 488 CA MET A 35 1.625 3.229 -17.695 1.00 0.00 C ATOM 489 C MET A 35 1.374 3.914 -19.045 1.00 0.00 C ATOM 490 O MET A 35 1.209 3.237 -20.071 1.00 0.00 O ATOM 491 CB MET A 35 3.076 3.531 -17.176 1.00 0.00 C ATOM 492 CG MET A 35 3.270 3.369 -15.656 1.00 0.00 C ATOM 493 SD MET A 35 4.973 3.637 -15.100 1.00 0.00 S ATOM 494 CE MET A 35 5.814 2.191 -15.747 1.00 0.00 C ATOM 0 H MET A 35 1.590 1.421 -18.766 1.00 0.00 H new ATOM 0 HA MET A 35 0.937 3.627 -16.949 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.774 2.870 -17.689 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.340 4.551 -17.454 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.615 4.071 -15.139 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.957 2.367 -15.365 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.235 1.616 -14.922 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.104 1.572 -16.296 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.615 2.505 -16.416 1.00 0.00 H new ATOM 504 N GLY A 36 1.294 5.253 -19.028 1.00 0.00 N ATOM 505 CA GLY A 36 1.165 6.032 -20.255 1.00 0.00 C ATOM 506 C GLY A 36 1.150 7.531 -20.000 1.00 0.00 C ATOM 507 O GLY A 36 0.684 7.968 -18.952 1.00 0.00 O ATOM 0 H GLY A 36 1.317 5.813 -18.176 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.992 5.790 -20.923 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.247 5.746 -20.767 1.00 0.00 H new ATOM 511 N TRP A 37 1.669 8.321 -20.960 1.00 0.00 N ATOM 512 CA TRP A 37 1.634 9.798 -20.888 1.00 0.00 C ATOM 513 C TRP A 37 0.345 10.307 -21.537 1.00 0.00 C ATOM 514 O TRP A 37 -0.072 9.821 -22.593 1.00 0.00 O ATOM 515 CB TRP A 37 2.871 10.446 -21.574 1.00 0.00 C ATOM 516 CG TRP A 37 4.170 10.247 -20.822 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.095 9.272 -21.026 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.677 11.058 -19.745 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.145 9.425 -20.163 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.910 10.506 -19.357 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.206 12.198 -19.073 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.686 11.045 -18.335 1.00 0.00 C ATOM 523 CZ3 TRP A 37 4.974 12.738 -18.054 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.203 12.160 -17.692 1.00 0.00 C ATOM 0 H TRP A 37 2.121 7.960 -21.800 1.00 0.00 H new ATOM 0 HA TRP A 37 1.661 10.085 -19.837 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.976 10.030 -22.576 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.691 11.515 -21.690 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.013 8.488 -21.764 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.972 8.828 -20.126 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.262 12.646 -19.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.632 10.604 -18.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.623 13.615 -17.531 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.780 12.601 -16.892 1.00 0.00 H new ATOM 535 N PHE A 38 -0.286 11.270 -20.868 1.00 0.00 N ATOM 536 CA PHE A 38 -1.492 11.953 -21.341 1.00 0.00 C ATOM 537 C PHE A 38 -1.209 13.463 -21.388 1.00 0.00 C ATOM 538 O PHE A 38 -0.216 13.932 -20.823 1.00 0.00 O ATOM 539 CB PHE A 38 -2.699 11.644 -20.398 1.00 0.00 C ATOM 540 CG PHE A 38 -3.155 10.180 -20.395 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.421 9.199 -19.729 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.314 9.784 -21.060 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.824 7.876 -19.742 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.719 8.461 -21.066 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.972 7.508 -20.406 1.00 0.00 C ATOM 0 H PHE A 38 0.034 11.606 -19.960 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.754 11.599 -22.338 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.429 11.928 -19.381 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.541 12.271 -20.691 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.524 9.477 -19.195 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.906 10.523 -21.580 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.236 7.129 -19.229 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.620 8.175 -21.588 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.287 6.475 -20.410 1.00 0.00 H new ATOM 555 N ARG A 39 -2.073 14.207 -22.084 1.00 0.00 N ATOM 556 CA ARG A 39 -2.030 15.681 -22.127 1.00 0.00 C ATOM 557 C ARG A 39 -3.414 16.223 -21.787 1.00 0.00 C ATOM 558 O ARG A 39 -4.418 15.596 -22.104 1.00 0.00 O ATOM 559 CB ARG A 39 -1.567 16.195 -23.517 1.00 0.00 C ATOM 560 CG ARG A 39 -2.522 15.904 -24.698 1.00 0.00 C ATOM 561 CD ARG A 39 -2.019 16.506 -26.020 1.00 0.00 C ATOM 562 NE ARG A 39 -2.969 16.287 -27.131 1.00 0.00 N ATOM 563 CZ ARG A 39 -3.238 17.173 -28.107 1.00 0.00 C ATOM 564 NH1 ARG A 39 -2.685 18.387 -28.110 1.00 0.00 N ATOM 565 NH2 ARG A 39 -4.083 16.845 -29.069 1.00 0.00 N ATOM 0 H ARG A 39 -2.829 13.806 -22.639 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.304 16.036 -21.396 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.418 17.273 -23.453 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.597 15.752 -23.742 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.636 14.826 -24.813 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.509 16.306 -24.471 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.854 17.576 -25.891 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.056 16.064 -26.275 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.460 15.393 -27.160 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.045 18.658 -27.363 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.902 19.044 -28.859 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.526 15.926 -29.068 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.292 17.511 -29.813 1.00 0.00 H new ATOM 579 N GLN A 40 -3.460 17.386 -21.154 1.00 0.00 N ATOM 580 CA GLN A 40 -4.711 17.997 -20.691 1.00 0.00 C ATOM 581 C GLN A 40 -4.518 19.509 -20.590 1.00 0.00 C ATOM 582 O GLN A 40 -3.434 19.975 -20.268 1.00 0.00 O ATOM 583 CB GLN A 40 -5.099 17.401 -19.311 1.00 0.00 C ATOM 584 CG GLN A 40 -6.448 17.865 -18.745 1.00 0.00 C ATOM 585 CD GLN A 40 -6.760 17.241 -17.382 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.422 17.799 -16.336 1.00 0.00 O ATOM 587 NE2 GLN A 40 -7.412 16.087 -17.384 1.00 0.00 N ATOM 0 H GLN A 40 -2.630 17.940 -20.943 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.515 17.788 -21.396 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.115 16.314 -19.396 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.318 17.653 -18.594 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.444 18.951 -18.651 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.241 17.608 -19.448 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.677 15.652 -18.268 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.649 15.634 -16.502 1.00 0.00 H new ATOM 596 N ALA A 41 -5.564 20.263 -20.900 1.00 0.00 N ATOM 597 CA ALA A 41 -5.607 21.717 -20.683 1.00 0.00 C ATOM 598 C ALA A 41 -6.586 22.000 -19.518 1.00 0.00 C ATOM 599 O ALA A 41 -7.482 21.182 -19.281 1.00 0.00 O ATOM 600 CB ALA A 41 -6.022 22.426 -21.986 1.00 0.00 C ATOM 0 H ALA A 41 -6.418 19.887 -21.313 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.625 22.106 -20.412 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.053 23.503 -21.820 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.299 22.200 -22.770 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.009 22.078 -22.291 1.00 0.00 H new ATOM 606 N PRO A 42 -6.415 23.123 -18.742 1.00 0.00 N ATOM 607 CA PRO A 42 -7.335 23.476 -17.619 1.00 0.00 C ATOM 608 C PRO A 42 -8.812 23.584 -18.074 1.00 0.00 C ATOM 609 O PRO A 42 -9.170 24.493 -18.833 1.00 0.00 O ATOM 610 CB PRO A 42 -6.784 24.843 -17.113 1.00 0.00 C ATOM 611 CG PRO A 42 -5.347 24.832 -17.533 1.00 0.00 C ATOM 612 CD PRO A 42 -5.312 24.113 -18.862 1.00 0.00 C ATOM 0 HA PRO A 42 -7.352 22.711 -16.843 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.323 25.680 -17.557 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.883 24.938 -16.032 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.959 25.846 -17.627 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.728 24.321 -16.796 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.474 24.798 -19.695 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.351 23.627 -19.032 1.00 0.00 H new ATOM 620 N GLY A 43 -9.645 22.627 -17.628 1.00 0.00 N ATOM 621 CA GLY A 43 -11.063 22.556 -18.013 1.00 0.00 C ATOM 622 C GLY A 43 -11.337 21.567 -19.148 1.00 0.00 C ATOM 623 O GLY A 43 -12.428 21.573 -19.731 1.00 0.00 O ATOM 0 H GLY A 43 -9.354 21.884 -16.993 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.654 22.271 -17.143 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.399 23.547 -18.316 1.00 0.00 H new ATOM 627 N LYS A 44 -10.346 20.712 -19.457 1.00 0.00 N ATOM 628 CA LYS A 44 -10.446 19.669 -20.503 1.00 0.00 C ATOM 629 C LYS A 44 -10.247 18.271 -19.893 1.00 0.00 C ATOM 630 O LYS A 44 -9.865 18.125 -18.723 1.00 0.00 O ATOM 631 CB LYS A 44 -9.380 19.906 -21.620 1.00 0.00 C ATOM 632 CG LYS A 44 -9.561 21.182 -22.496 1.00 0.00 C ATOM 633 CD LYS A 44 -10.509 20.997 -23.720 1.00 0.00 C ATOM 634 CE LYS A 44 -12.010 20.959 -23.377 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.849 20.814 -24.597 1.00 0.00 N ATOM 0 H LYS A 44 -9.442 20.723 -18.985 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.442 19.729 -20.942 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.398 19.952 -21.150 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.378 19.038 -22.279 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.950 21.985 -21.870 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.583 21.502 -22.855 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.332 21.810 -24.424 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.244 20.071 -24.230 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.207 20.129 -22.699 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.287 21.873 -22.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.853 20.792 -24.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.679 21.619 -25.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.602 19.929 -25.085 1.00 0.00 H new ATOM 649 N GLU A 45 -10.512 17.250 -20.715 1.00 0.00 N ATOM 650 CA GLU A 45 -10.205 15.844 -20.401 1.00 0.00 C ATOM 651 C GLU A 45 -8.740 15.539 -20.768 1.00 0.00 C ATOM 652 O GLU A 45 -8.097 16.314 -21.492 1.00 0.00 O ATOM 653 CB GLU A 45 -11.178 14.917 -21.177 1.00 0.00 C ATOM 654 CG GLU A 45 -11.135 15.083 -22.710 1.00 0.00 C ATOM 655 CD GLU A 45 -12.249 14.312 -23.430 1.00 0.00 C ATOM 656 OE1 GLU A 45 -11.968 13.274 -24.070 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.427 14.728 -23.331 1.00 0.00 O ATOM 0 H GLU A 45 -10.950 17.374 -21.628 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.334 15.665 -19.334 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.947 13.881 -20.930 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.194 15.108 -20.832 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.216 16.142 -22.957 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.168 14.742 -23.079 1.00 0.00 H new ATOM 664 N ARG A 46 -8.198 14.426 -20.241 1.00 0.00 N ATOM 665 CA ARG A 46 -6.840 13.969 -20.593 1.00 0.00 C ATOM 666 C ARG A 46 -6.907 13.094 -21.863 1.00 0.00 C ATOM 667 O ARG A 46 -7.667 12.121 -21.926 1.00 0.00 O ATOM 668 CB ARG A 46 -6.122 13.234 -19.402 1.00 0.00 C ATOM 669 CG ARG A 46 -6.587 11.794 -19.053 1.00 0.00 C ATOM 670 CD ARG A 46 -7.989 11.716 -18.438 1.00 0.00 C ATOM 671 NE ARG A 46 -8.433 10.324 -18.244 1.00 0.00 N ATOM 672 CZ ARG A 46 -9.499 9.947 -17.514 1.00 0.00 C ATOM 673 NH1 ARG A 46 -10.222 10.843 -16.847 1.00 0.00 N ATOM 674 NH2 ARG A 46 -9.827 8.661 -17.443 1.00 0.00 N ATOM 0 H ARG A 46 -8.679 13.826 -19.570 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.226 14.845 -20.802 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.056 13.197 -19.626 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.239 13.849 -18.510 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.566 11.188 -19.959 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.873 11.352 -18.358 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.993 12.234 -17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.697 12.235 -19.084 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.890 9.589 -18.698 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.971 11.831 -16.885 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.027 10.542 -16.298 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.272 7.965 -17.940 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.634 8.370 -16.891 1.00 0.00 H new ATOM 688 N GLU A 47 -6.149 13.494 -22.892 1.00 0.00 N ATOM 689 CA GLU A 47 -6.030 12.765 -24.156 1.00 0.00 C ATOM 690 C GLU A 47 -4.816 11.829 -24.100 1.00 0.00 C ATOM 691 O GLU A 47 -3.748 12.226 -23.623 1.00 0.00 O ATOM 692 CB GLU A 47 -5.867 13.755 -25.340 1.00 0.00 C ATOM 693 CG GLU A 47 -5.801 13.085 -26.732 1.00 0.00 C ATOM 694 CD GLU A 47 -5.442 14.054 -27.870 1.00 0.00 C ATOM 695 OE1 GLU A 47 -4.353 13.919 -28.477 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.228 14.983 -28.140 1.00 0.00 O ATOM 0 H GLU A 47 -5.593 14.348 -22.866 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.937 12.180 -24.308 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.701 14.457 -25.328 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.958 14.337 -25.188 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.064 12.283 -26.704 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.765 12.625 -26.950 1.00 0.00 H new ATOM 703 N PHE A 48 -4.996 10.606 -24.607 1.00 0.00 N ATOM 704 CA PHE A 48 -3.949 9.579 -24.672 1.00 0.00 C ATOM 705 C PHE A 48 -2.863 9.980 -25.695 1.00 0.00 C ATOM 706 O PHE A 48 -3.159 10.171 -26.877 1.00 0.00 O ATOM 707 CB PHE A 48 -4.613 8.232 -25.043 1.00 0.00 C ATOM 708 CG PHE A 48 -3.669 7.037 -25.118 1.00 0.00 C ATOM 709 CD1 PHE A 48 -3.311 6.333 -23.970 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.159 6.605 -26.341 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.470 5.242 -24.047 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.320 5.519 -26.412 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.980 4.836 -25.270 1.00 0.00 C ATOM 0 H PHE A 48 -5.888 10.295 -24.991 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.454 9.479 -23.706 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.389 8.015 -24.310 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.108 8.344 -26.008 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.696 6.645 -23.010 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.427 7.131 -27.245 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.196 4.707 -23.150 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.928 5.202 -27.367 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.327 3.978 -25.330 1.00 0.00 H new ATOM 723 N VAL A 49 -1.612 10.125 -25.218 1.00 0.00 N ATOM 724 CA VAL A 49 -0.454 10.503 -26.068 1.00 0.00 C ATOM 725 C VAL A 49 0.453 9.286 -26.294 1.00 0.00 C ATOM 726 O VAL A 49 0.742 8.906 -27.434 1.00 0.00 O ATOM 727 CB VAL A 49 0.389 11.678 -25.425 1.00 0.00 C ATOM 728 CG1 VAL A 49 1.593 12.106 -26.316 1.00 0.00 C ATOM 729 CG2 VAL A 49 -0.511 12.886 -25.093 1.00 0.00 C ATOM 0 H VAL A 49 -1.370 9.985 -24.237 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.849 10.853 -27.022 1.00 0.00 H new ATOM 0 HB VAL A 49 0.807 11.293 -24.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.137 12.915 -25.828 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.259 11.256 -26.460 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.226 12.448 -27.284 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.093 13.679 -24.652 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.980 13.252 -26.006 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.282 12.582 -24.385 1.00 0.00 H new ATOM 739 N ALA A 50 0.878 8.675 -25.181 1.00 0.00 N ATOM 740 CA ALA A 50 1.896 7.620 -25.168 1.00 0.00 C ATOM 741 C ALA A 50 1.519 6.520 -24.171 1.00 0.00 C ATOM 742 O ALA A 50 0.658 6.724 -23.312 1.00 0.00 O ATOM 743 CB ALA A 50 3.266 8.227 -24.825 1.00 0.00 C ATOM 0 H ALA A 50 0.520 8.903 -24.254 1.00 0.00 H new ATOM 0 HA ALA A 50 1.952 7.167 -26.158 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.021 7.440 -24.816 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.530 8.975 -25.573 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.220 8.697 -23.843 1.00 0.00 H new ATOM 749 N ALA A 51 2.191 5.358 -24.286 1.00 0.00 N ATOM 750 CA ALA A 51 1.946 4.194 -23.424 1.00 0.00 C ATOM 751 C ALA A 51 3.249 3.435 -23.149 1.00 0.00 C ATOM 752 O ALA A 51 4.022 3.130 -24.072 1.00 0.00 O ATOM 753 CB ALA A 51 0.909 3.265 -24.042 1.00 0.00 C ATOM 0 H ALA A 51 2.920 5.204 -24.982 1.00 0.00 H new ATOM 0 HA ALA A 51 1.554 4.559 -22.475 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.747 2.412 -23.384 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.029 3.804 -24.175 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.266 2.913 -25.010 1.00 0.00 H new ATOM 759 N ILE A 52 3.462 3.135 -21.863 1.00 0.00 N ATOM 760 CA ILE A 52 4.653 2.464 -21.351 1.00 0.00 C ATOM 761 C ILE A 52 4.276 1.044 -20.874 1.00 0.00 C ATOM 762 O ILE A 52 3.319 0.857 -20.112 1.00 0.00 O ATOM 763 CB ILE A 52 5.329 3.307 -20.194 1.00 0.00 C ATOM 764 CG1 ILE A 52 5.984 4.634 -20.734 1.00 0.00 C ATOM 765 CG2 ILE A 52 6.364 2.473 -19.411 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.022 5.748 -21.123 1.00 0.00 C ATOM 0 H ILE A 52 2.788 3.361 -21.131 1.00 0.00 H new ATOM 0 HA ILE A 52 5.388 2.379 -22.151 1.00 0.00 H new ATOM 0 HB ILE A 52 4.529 3.587 -19.508 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.661 5.017 -19.971 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.592 4.387 -21.604 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.806 3.086 -18.626 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.872 1.609 -18.964 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.146 2.133 -20.090 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.587 6.609 -21.479 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.359 5.397 -21.914 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.430 6.037 -20.255 1.00 0.00 H new ATOM 778 N ARG A 53 5.023 0.050 -21.390 1.00 0.00 N ATOM 779 CA ARG A 53 4.825 -1.390 -21.127 1.00 0.00 C ATOM 780 C ARG A 53 6.086 -1.966 -20.461 1.00 0.00 C ATOM 781 O ARG A 53 7.067 -1.247 -20.235 1.00 0.00 O ATOM 782 CB ARG A 53 4.509 -2.165 -22.454 1.00 0.00 C ATOM 783 CG ARG A 53 3.054 -2.046 -22.980 1.00 0.00 C ATOM 784 CD ARG A 53 2.660 -0.636 -23.439 1.00 0.00 C ATOM 785 NE ARG A 53 1.235 -0.547 -23.800 1.00 0.00 N ATOM 786 CZ ARG A 53 0.281 0.023 -23.050 1.00 0.00 C ATOM 787 NH1 ARG A 53 0.561 0.529 -21.845 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.955 0.095 -23.509 1.00 0.00 N ATOM 0 H ARG A 53 5.804 0.231 -22.020 1.00 0.00 H new ATOM 0 HA ARG A 53 3.973 -1.510 -20.458 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.185 -1.807 -23.230 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.733 -3.220 -22.297 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.924 -2.736 -23.814 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.369 -2.364 -22.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.877 0.077 -22.644 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.269 -0.352 -24.297 1.00 0.00 H new ATOM 0 HE ARG A 53 0.951 -0.951 -24.692 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.513 0.485 -21.482 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.178 0.959 -21.288 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.180 -0.282 -24.430 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.685 0.528 -22.943 1.00 0.00 H new ATOM 851 N SER A 58 6.896 -0.078 -24.382 1.00 0.00 N ATOM 852 CA SER A 58 6.951 1.370 -24.098 1.00 0.00 C ATOM 853 C SER A 58 7.091 2.214 -25.386 1.00 0.00 C ATOM 854 O SER A 58 8.093 2.911 -25.593 1.00 0.00 O ATOM 855 CB SER A 58 8.052 1.703 -23.056 1.00 0.00 C ATOM 856 OG SER A 58 7.910 0.906 -21.888 1.00 0.00 O ATOM 0 HA SER A 58 5.995 1.646 -23.654 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.035 1.537 -23.496 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.997 2.758 -22.789 1.00 0.00 H new ATOM 0 HG SER A 58 8.700 1.016 -21.319 1.00 0.00 H new ATOM 862 N THR A 59 6.060 2.130 -26.241 1.00 0.00 N ATOM 863 CA THR A 59 5.990 2.843 -27.529 1.00 0.00 C ATOM 864 C THR A 59 4.514 3.129 -27.871 1.00 0.00 C ATOM 865 O THR A 59 3.702 2.200 -27.951 1.00 0.00 O ATOM 866 CB THR A 59 6.660 2.019 -28.697 1.00 0.00 C ATOM 867 OG1 THR A 59 6.358 0.621 -28.551 1.00 0.00 O ATOM 868 CG2 THR A 59 8.192 2.214 -28.777 1.00 0.00 C ATOM 0 H THR A 59 5.238 1.556 -26.055 1.00 0.00 H new ATOM 0 HA THR A 59 6.543 3.777 -27.429 1.00 0.00 H new ATOM 0 HB THR A 59 6.240 2.401 -29.628 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.776 0.118 -29.281 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.592 1.621 -29.600 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.416 3.267 -28.946 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.649 1.891 -27.842 1.00 0.00 H new ATOM 876 N TYR A 60 4.199 4.418 -28.054 1.00 0.00 N ATOM 877 CA TYR A 60 2.898 4.912 -28.523 1.00 0.00 C ATOM 878 C TYR A 60 3.071 6.405 -28.816 1.00 0.00 C ATOM 879 O TYR A 60 3.581 7.143 -27.968 1.00 0.00 O ATOM 880 CB TYR A 60 1.743 4.666 -27.488 1.00 0.00 C ATOM 881 CG TYR A 60 0.641 3.703 -27.966 1.00 0.00 C ATOM 882 CD1 TYR A 60 -0.278 4.098 -28.937 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.509 2.413 -27.439 1.00 0.00 C ATOM 884 CE1 TYR A 60 -1.286 3.250 -29.359 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.497 1.561 -27.862 1.00 0.00 C ATOM 886 CZ TYR A 60 -1.391 1.985 -28.821 1.00 0.00 C ATOM 887 OH TYR A 60 -2.401 1.141 -29.245 1.00 0.00 O ATOM 0 H TYR A 60 4.864 5.170 -27.874 1.00 0.00 H new ATOM 0 HA TYR A 60 2.599 4.365 -29.417 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.176 4.272 -26.569 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.286 5.624 -27.240 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.201 5.085 -29.368 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.206 2.075 -26.687 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.990 3.579 -30.109 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.581 0.569 -27.443 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.335 0.287 -28.769 1.00 0.00 H new ATOM 897 N TYR A 61 2.693 6.819 -30.027 1.00 0.00 N ATOM 898 CA TYR A 61 2.867 8.202 -30.506 1.00 0.00 C ATOM 899 C TYR A 61 2.026 8.432 -31.771 1.00 0.00 C ATOM 900 O TYR A 61 1.539 7.479 -32.382 1.00 0.00 O ATOM 901 CB TYR A 61 4.378 8.496 -30.791 1.00 0.00 C ATOM 902 CG TYR A 61 5.086 7.429 -31.654 1.00 0.00 C ATOM 903 CD1 TYR A 61 4.972 7.424 -33.048 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.856 6.412 -31.073 1.00 0.00 C ATOM 905 CE1 TYR A 61 5.588 6.455 -33.818 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.479 5.444 -31.845 1.00 0.00 C ATOM 907 CZ TYR A 61 6.342 5.470 -33.217 1.00 0.00 C ATOM 908 OH TYR A 61 6.953 4.503 -33.997 1.00 0.00 O ATOM 0 H TYR A 61 2.254 6.204 -30.712 1.00 0.00 H new ATOM 0 HA TYR A 61 2.525 8.887 -29.730 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.459 9.461 -31.290 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.904 8.584 -29.840 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.390 8.194 -33.533 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.966 6.382 -29.999 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.478 6.470 -34.892 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.070 4.672 -31.374 1.00 0.00 H new ATOM 0 HH TYR A 61 7.448 3.883 -33.421 1.00 0.00 H new ATOM 918 N ALA A 62 1.872 9.703 -32.164 1.00 0.00 N ATOM 919 CA ALA A 62 1.311 10.067 -33.472 1.00 0.00 C ATOM 920 C ALA A 62 2.395 9.918 -34.557 1.00 0.00 C ATOM 921 O ALA A 62 3.578 10.171 -34.293 1.00 0.00 O ATOM 922 CB ALA A 62 0.767 11.505 -33.436 1.00 0.00 C ATOM 0 H ALA A 62 2.131 10.504 -31.588 1.00 0.00 H new ATOM 0 HA ALA A 62 0.483 9.399 -33.709 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.354 11.762 -34.411 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.015 11.579 -32.680 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.575 12.194 -33.191 1.00 0.00 H new ATOM 928 N ASP A 63 1.996 9.510 -35.772 1.00 0.00 N ATOM 929 CA ASP A 63 2.937 9.360 -36.909 1.00 0.00 C ATOM 930 C ASP A 63 3.554 10.726 -37.302 1.00 0.00 C ATOM 931 O ASP A 63 4.679 10.791 -37.805 1.00 0.00 O ATOM 932 CB ASP A 63 2.218 8.720 -38.123 1.00 0.00 C ATOM 933 CG ASP A 63 3.168 8.404 -39.304 1.00 0.00 C ATOM 934 OD1 ASP A 63 3.267 9.223 -40.246 1.00 0.00 O ATOM 935 OD2 ASP A 63 3.815 7.332 -39.293 1.00 0.00 O ATOM 0 H ASP A 63 1.029 9.276 -35.999 1.00 0.00 H new ATOM 0 HA ASP A 63 3.747 8.701 -36.596 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.730 7.800 -37.803 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.433 9.394 -38.468 1.00 0.00 H new ATOM 940 N SER A 64 2.799 11.808 -37.045 1.00 0.00 N ATOM 941 CA SER A 64 3.237 13.188 -37.308 1.00 0.00 C ATOM 942 C SER A 64 4.346 13.647 -36.329 1.00 0.00 C ATOM 943 O SER A 64 5.154 14.521 -36.664 1.00 0.00 O ATOM 944 CB SER A 64 2.014 14.126 -37.223 1.00 0.00 C ATOM 945 OG SER A 64 1.004 13.737 -38.150 1.00 0.00 O ATOM 0 H SER A 64 1.862 11.748 -36.646 1.00 0.00 H new ATOM 0 HA SER A 64 3.669 13.227 -38.308 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.609 14.110 -36.211 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.323 15.151 -37.426 1.00 0.00 H new ATOM 0 HG SER A 64 0.239 14.346 -38.075 1.00 0.00 H new ATOM 951 N VAL A 65 4.381 13.056 -35.116 1.00 0.00 N ATOM 952 CA VAL A 65 5.391 13.398 -34.081 1.00 0.00 C ATOM 953 C VAL A 65 6.480 12.298 -33.966 1.00 0.00 C ATOM 954 O VAL A 65 7.367 12.386 -33.112 1.00 0.00 O ATOM 955 CB VAL A 65 4.713 13.648 -32.678 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.622 14.741 -32.759 1.00 0.00 C ATOM 957 CG2 VAL A 65 4.160 12.344 -32.057 1.00 0.00 C ATOM 0 H VAL A 65 3.720 12.336 -34.824 1.00 0.00 H new ATOM 0 HA VAL A 65 5.874 14.323 -34.397 1.00 0.00 H new ATOM 0 HB VAL A 65 5.495 14.012 -32.012 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.178 14.885 -31.774 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.068 15.676 -33.096 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.850 14.433 -33.464 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.703 12.566 -31.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.412 11.913 -32.722 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.975 11.633 -31.918 1.00 0.00 H new ATOM 967 N LYS A 66 6.400 11.288 -34.857 1.00 0.00 N ATOM 968 CA LYS A 66 7.281 10.096 -34.855 1.00 0.00 C ATOM 969 C LYS A 66 8.776 10.466 -34.965 1.00 0.00 C ATOM 970 O LYS A 66 9.211 11.028 -35.973 1.00 0.00 O ATOM 971 CB LYS A 66 6.876 9.174 -36.034 1.00 0.00 C ATOM 972 CG LYS A 66 7.760 7.920 -36.235 1.00 0.00 C ATOM 973 CD LYS A 66 7.281 7.042 -37.413 1.00 0.00 C ATOM 974 CE LYS A 66 7.252 7.803 -38.756 1.00 0.00 C ATOM 975 NZ LYS A 66 6.746 6.955 -39.860 1.00 0.00 N ATOM 0 H LYS A 66 5.712 11.275 -35.610 1.00 0.00 H new ATOM 0 HA LYS A 66 7.152 9.582 -33.902 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.846 8.850 -35.882 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.893 9.760 -36.953 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.790 8.230 -36.412 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.758 7.328 -35.320 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.938 6.177 -37.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.283 6.663 -37.194 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.622 8.687 -38.659 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.256 8.152 -38.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.076 7.336 -40.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.100 5.984 -39.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.706 6.949 -39.844 1.00 0.00 H new ATOM 989 N GLY A 67 9.539 10.144 -33.910 1.00 0.00 N ATOM 990 CA GLY A 67 10.989 10.376 -33.870 1.00 0.00 C ATOM 991 C GLY A 67 11.371 11.619 -33.076 1.00 0.00 C ATOM 992 O GLY A 67 12.448 11.667 -32.470 1.00 0.00 O ATOM 0 H GLY A 67 9.168 9.716 -33.062 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.479 9.507 -33.431 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.364 10.473 -34.889 1.00 0.00 H new ATOM 996 N ARG A 68 10.471 12.621 -33.060 1.00 0.00 N ATOM 997 CA ARG A 68 10.656 13.870 -32.297 1.00 0.00 C ATOM 998 C ARG A 68 10.130 13.673 -30.867 1.00 0.00 C ATOM 999 O ARG A 68 10.858 13.861 -29.886 1.00 0.00 O ATOM 1000 CB ARG A 68 9.923 15.042 -33.001 1.00 0.00 C ATOM 1001 CG ARG A 68 10.403 15.314 -34.442 1.00 0.00 C ATOM 1002 CD ARG A 68 9.682 16.507 -35.096 1.00 0.00 C ATOM 1003 NE ARG A 68 8.219 16.323 -35.145 1.00 0.00 N ATOM 1004 CZ ARG A 68 7.331 17.247 -35.550 1.00 0.00 C ATOM 1005 NH1 ARG A 68 7.721 18.446 -35.974 1.00 0.00 N ATOM 1006 NH2 ARG A 68 6.047 16.947 -35.566 1.00 0.00 N ATOM 0 H ARG A 68 9.593 12.587 -33.577 1.00 0.00 H new ATOM 0 HA ARG A 68 11.717 14.117 -32.252 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.854 14.828 -33.020 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.056 15.947 -32.409 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.476 15.505 -34.433 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.243 14.422 -35.048 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.913 17.416 -34.540 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.062 16.647 -36.108 1.00 0.00 H new ATOM 0 HE ARG A 68 7.851 15.420 -34.847 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.713 18.681 -35.997 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.028 19.130 -36.276 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.736 16.021 -35.273 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.365 17.641 -35.872 1.00 0.00 H new ATOM 1020 N PHE A 69 8.845 13.299 -30.776 1.00 0.00 N ATOM 1021 CA PHE A 69 8.214 12.877 -29.519 1.00 0.00 C ATOM 1022 C PHE A 69 8.447 11.363 -29.364 1.00 0.00 C ATOM 1023 O PHE A 69 8.058 10.570 -30.232 1.00 0.00 O ATOM 1024 CB PHE A 69 6.691 13.180 -29.503 1.00 0.00 C ATOM 1025 CG PHE A 69 6.279 14.663 -29.505 1.00 0.00 C ATOM 1026 CD1 PHE A 69 6.823 15.577 -30.412 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.300 15.132 -28.620 1.00 0.00 C ATOM 1028 CE1 PHE A 69 6.406 16.896 -30.433 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.893 16.455 -28.640 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.445 17.334 -29.547 1.00 0.00 C ATOM 0 H PHE A 69 8.213 13.281 -31.576 1.00 0.00 H new ATOM 0 HA PHE A 69 8.657 13.433 -28.693 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.240 12.701 -30.372 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.260 12.709 -28.620 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.581 15.248 -31.108 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.855 14.450 -27.910 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.835 17.585 -31.146 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.142 16.799 -27.944 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.125 18.365 -29.564 1.00 0.00 H new ATOM 1040 N THR A 70 9.083 10.990 -28.256 1.00 0.00 N ATOM 1041 CA THR A 70 9.488 9.616 -27.939 1.00 0.00 C ATOM 1042 C THR A 70 9.397 9.416 -26.419 1.00 0.00 C ATOM 1043 O THR A 70 9.490 10.380 -25.649 1.00 0.00 O ATOM 1044 CB THR A 70 10.956 9.317 -28.445 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.792 10.458 -28.201 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.019 8.947 -29.945 1.00 0.00 C ATOM 0 H THR A 70 9.341 11.656 -27.527 1.00 0.00 H new ATOM 0 HA THR A 70 8.821 8.922 -28.449 1.00 0.00 H new ATOM 0 HB THR A 70 11.311 8.451 -27.887 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.702 10.270 -28.514 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.053 8.754 -30.229 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.421 8.054 -30.125 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.627 9.772 -30.540 1.00 0.00 H new ATOM 1054 N ILE A 71 9.192 8.162 -25.996 1.00 0.00 N ATOM 1055 CA ILE A 71 9.143 7.778 -24.570 1.00 0.00 C ATOM 1056 C ILE A 71 10.152 6.669 -24.296 1.00 0.00 C ATOM 1057 O ILE A 71 10.547 5.928 -25.209 1.00 0.00 O ATOM 1058 CB ILE A 71 7.710 7.321 -24.068 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.121 6.096 -24.853 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.734 8.500 -24.087 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.633 6.381 -26.268 1.00 0.00 C ATOM 0 H ILE A 71 9.054 7.377 -26.633 1.00 0.00 H new ATOM 0 HA ILE A 71 9.392 8.680 -24.011 1.00 0.00 H new ATOM 0 HB ILE A 71 7.845 6.977 -23.043 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.885 5.320 -24.903 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.289 5.688 -24.279 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.756 8.168 -23.739 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.103 9.289 -23.432 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.647 8.884 -25.103 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.248 5.463 -26.712 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.840 7.129 -26.236 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.461 6.756 -26.870 1.00 0.00 H new ATOM 1073 N SER A 72 10.563 6.576 -23.030 1.00 0.00 N ATOM 1074 CA SER A 72 11.506 5.564 -22.563 1.00 0.00 C ATOM 1075 C SER A 72 11.229 5.277 -21.085 1.00 0.00 C ATOM 1076 O SER A 72 10.992 6.198 -20.307 1.00 0.00 O ATOM 1077 CB SER A 72 12.961 6.062 -22.752 1.00 0.00 C ATOM 1078 OG SER A 72 13.913 5.076 -22.368 1.00 0.00 O ATOM 0 H SER A 72 10.246 7.208 -22.295 1.00 0.00 H new ATOM 0 HA SER A 72 11.382 4.649 -23.142 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.119 6.333 -23.796 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.115 6.965 -22.162 1.00 0.00 H new ATOM 0 HG SER A 72 14.819 5.426 -22.503 1.00 0.00 H new ATOM 1084 N ARG A 73 11.243 3.993 -20.719 1.00 0.00 N ATOM 1085 CA ARG A 73 11.143 3.552 -19.324 1.00 0.00 C ATOM 1086 C ARG A 73 12.489 2.970 -18.892 1.00 0.00 C ATOM 1087 O ARG A 73 13.119 2.218 -19.643 1.00 0.00 O ATOM 1088 CB ARG A 73 10.035 2.481 -19.162 1.00 0.00 C ATOM 1089 CG ARG A 73 9.945 1.842 -17.744 1.00 0.00 C ATOM 1090 CD ARG A 73 9.005 0.623 -17.694 1.00 0.00 C ATOM 1091 NE ARG A 73 9.301 -0.334 -18.776 1.00 0.00 N ATOM 1092 CZ ARG A 73 10.214 -1.315 -18.733 1.00 0.00 C ATOM 1093 NH1 ARG A 73 10.847 -1.623 -17.607 1.00 0.00 N ATOM 1094 NH2 ARG A 73 10.457 -2.014 -19.825 1.00 0.00 N ATOM 0 H ARG A 73 11.324 3.225 -21.385 1.00 0.00 H new ATOM 0 HA ARG A 73 10.884 4.407 -18.699 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.073 2.934 -19.402 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.205 1.689 -19.892 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.942 1.539 -17.424 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.597 2.592 -17.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.105 0.125 -16.729 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.971 0.957 -17.775 1.00 0.00 H new ATOM 0 HE ARG A 73 8.761 -0.241 -19.637 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.642 -1.109 -16.750 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.538 -2.374 -17.599 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.953 -1.805 -20.687 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.149 -2.763 -19.807 1.00 0.00 H new ATOM 1108 N ASP A 74 12.920 3.335 -17.689 1.00 0.00 N ATOM 1109 CA ASP A 74 14.088 2.748 -17.037 1.00 0.00 C ATOM 1110 C ASP A 74 13.583 1.885 -15.872 1.00 0.00 C ATOM 1111 O ASP A 74 12.872 2.388 -15.007 1.00 0.00 O ATOM 1112 CB ASP A 74 15.044 3.863 -16.532 1.00 0.00 C ATOM 1113 CG ASP A 74 16.420 3.314 -16.145 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.523 2.616 -15.120 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.406 3.574 -16.865 1.00 0.00 O ATOM 0 H ASP A 74 12.463 4.056 -17.131 1.00 0.00 H new ATOM 0 HA ASP A 74 14.653 2.134 -17.739 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.162 4.618 -17.309 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.597 4.359 -15.670 1.00 0.00 H new ATOM 1120 N ASN A 75 13.924 0.590 -15.877 1.00 0.00 N ATOM 1121 CA ASN A 75 13.462 -0.371 -14.849 1.00 0.00 C ATOM 1122 C ASN A 75 14.417 -0.384 -13.634 1.00 0.00 C ATOM 1123 O ASN A 75 14.006 -0.736 -12.522 1.00 0.00 O ATOM 1124 CB ASN A 75 13.339 -1.789 -15.476 1.00 0.00 C ATOM 1125 CG ASN A 75 12.458 -2.746 -14.657 1.00 0.00 C ATOM 1126 OD1 ASN A 75 11.244 -2.817 -14.868 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.052 -3.473 -13.723 1.00 0.00 N ATOM 0 H ASN A 75 14.525 0.173 -16.588 1.00 0.00 H new ATOM 0 HA ASN A 75 12.481 -0.058 -14.490 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.927 -1.699 -16.481 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.335 -2.221 -15.577 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.504 -4.116 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.058 -3.390 -13.575 1.00 0.00 H new ATOM 1134 N ALA A 76 15.684 0.024 -13.866 1.00 0.00 N ATOM 1135 CA ALA A 76 16.756 -0.036 -12.851 1.00 0.00 C ATOM 1136 C ALA A 76 16.497 0.937 -11.684 1.00 0.00 C ATOM 1137 O ALA A 76 16.727 0.584 -10.528 1.00 0.00 O ATOM 1138 CB ALA A 76 18.129 0.235 -13.491 1.00 0.00 C ATOM 0 H ALA A 76 15.991 0.404 -14.762 1.00 0.00 H new ATOM 0 HA ALA A 76 16.758 -1.045 -12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.903 0.186 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.328 -0.515 -14.257 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.130 1.226 -13.945 1.00 0.00 H new ATOM 1144 N LYS A 77 16.044 2.173 -11.987 1.00 0.00 N ATOM 1145 CA LYS A 77 15.594 3.140 -10.944 1.00 0.00 C ATOM 1146 C LYS A 77 14.115 3.550 -11.139 1.00 0.00 C ATOM 1147 O LYS A 77 13.675 4.553 -10.568 1.00 0.00 O ATOM 1148 CB LYS A 77 16.536 4.387 -10.822 1.00 0.00 C ATOM 1149 CG LYS A 77 16.790 5.223 -12.105 1.00 0.00 C ATOM 1150 CD LYS A 77 17.901 4.622 -12.997 1.00 0.00 C ATOM 1151 CE LYS A 77 18.309 5.543 -14.159 1.00 0.00 C ATOM 1152 NZ LYS A 77 19.295 4.881 -15.058 1.00 0.00 N ATOM 0 H LYS A 77 15.978 2.530 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 77 15.662 2.615 -9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.118 5.051 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.501 4.044 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.866 5.291 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.066 6.239 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.777 4.412 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.559 3.669 -13.400 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.424 5.823 -14.731 1.00 0.00 H new ATOM 0 HE3 LYS A 77 18.737 6.464 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.891 5.603 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.893 4.236 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.790 4.341 -15.789 1.00 0.00 H new ATOM 1166 N ASN A 78 13.360 2.755 -11.940 1.00 0.00 N ATOM 1167 CA ASN A 78 11.886 2.912 -12.132 1.00 0.00 C ATOM 1168 C ASN A 78 11.490 4.374 -12.443 1.00 0.00 C ATOM 1169 O ASN A 78 10.695 4.990 -11.726 1.00 0.00 O ATOM 1170 CB ASN A 78 11.101 2.344 -10.912 1.00 0.00 C ATOM 1171 CG ASN A 78 11.239 0.823 -10.751 1.00 0.00 C ATOM 1172 OD1 ASN A 78 10.342 0.065 -11.373 1.00 0.00 O flip ATOM 1173 ND2 ASN A 78 12.143 0.334 -10.076 1.00 0.00 N flip ATOM 0 H ASN A 78 13.754 1.982 -12.476 1.00 0.00 H new ATOM 0 HA ASN A 78 11.607 2.326 -13.007 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.454 2.831 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.046 2.596 -11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.817 0.941 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.219 -0.679 -9.982 1.00 0.00 H new ATOM 1180 N THR A 79 12.096 4.925 -13.509 1.00 0.00 N ATOM 1181 CA THR A 79 11.868 6.314 -13.942 1.00 0.00 C ATOM 1182 C THR A 79 11.552 6.352 -15.450 1.00 0.00 C ATOM 1183 O THR A 79 12.282 5.772 -16.256 1.00 0.00 O ATOM 1184 CB THR A 79 13.119 7.206 -13.622 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.421 7.123 -12.215 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.904 8.687 -14.007 1.00 0.00 C ATOM 0 H THR A 79 12.759 4.418 -14.096 1.00 0.00 H new ATOM 0 HA THR A 79 11.015 6.714 -13.393 1.00 0.00 H new ATOM 0 HB THR A 79 13.948 6.827 -14.219 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.599 6.190 -11.973 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.799 9.260 -13.765 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.705 8.760 -15.076 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.056 9.088 -13.452 1.00 0.00 H new ATOM 1194 N VAL A 80 10.471 7.059 -15.812 1.00 0.00 N ATOM 1195 CA VAL A 80 9.983 7.161 -17.196 1.00 0.00 C ATOM 1196 C VAL A 80 10.229 8.583 -17.735 1.00 0.00 C ATOM 1197 O VAL A 80 9.813 9.565 -17.121 1.00 0.00 O ATOM 1198 CB VAL A 80 8.450 6.817 -17.278 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.918 6.947 -18.725 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.162 5.406 -16.701 1.00 0.00 C ATOM 0 H VAL A 80 9.904 7.582 -15.144 1.00 0.00 H new ATOM 0 HA VAL A 80 10.530 6.442 -17.806 1.00 0.00 H new ATOM 0 HB VAL A 80 7.917 7.544 -16.665 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.856 6.702 -18.746 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.062 7.969 -19.075 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.461 6.261 -19.375 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.095 5.195 -16.771 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.717 4.660 -17.270 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.471 5.370 -15.656 1.00 0.00 H new ATOM 1210 N TYR A 81 10.914 8.670 -18.881 1.00 0.00 N ATOM 1211 CA TYR A 81 11.233 9.941 -19.547 1.00 0.00 C ATOM 1212 C TYR A 81 10.288 10.172 -20.746 1.00 0.00 C ATOM 1213 O TYR A 81 9.869 9.214 -21.408 1.00 0.00 O ATOM 1214 CB TYR A 81 12.710 9.923 -20.016 1.00 0.00 C ATOM 1215 CG TYR A 81 13.706 9.536 -18.904 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.166 8.219 -18.770 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.173 10.480 -17.984 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.049 7.863 -17.765 1.00 0.00 C ATOM 1219 CE2 TYR A 81 15.059 10.124 -16.978 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.494 8.816 -16.876 1.00 0.00 C ATOM 1221 OH TYR A 81 16.379 8.457 -15.877 1.00 0.00 O ATOM 0 H TYR A 81 11.267 7.852 -19.378 1.00 0.00 H new ATOM 0 HA TYR A 81 11.093 10.760 -18.841 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.811 9.221 -20.843 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.972 10.909 -20.400 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.825 7.466 -19.465 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.838 11.504 -18.058 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.388 6.841 -17.678 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.408 10.867 -16.276 1.00 0.00 H new ATOM 0 HH TYR A 81 16.597 9.244 -15.335 1.00 0.00 H new ATOM 1231 N LEU A 82 9.956 11.450 -21.009 1.00 0.00 N ATOM 1232 CA LEU A 82 9.153 11.875 -22.176 1.00 0.00 C ATOM 1233 C LEU A 82 9.947 12.930 -22.962 1.00 0.00 C ATOM 1234 O LEU A 82 10.027 14.092 -22.555 1.00 0.00 O ATOM 1235 CB LEU A 82 7.780 12.441 -21.716 1.00 0.00 C ATOM 1236 CG LEU A 82 6.849 13.038 -22.825 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.456 11.992 -23.883 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.598 13.711 -22.212 1.00 0.00 C ATOM 0 H LEU A 82 10.240 12.227 -20.412 1.00 0.00 H new ATOM 0 HA LEU A 82 8.955 11.018 -22.820 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.236 11.642 -21.211 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.965 13.218 -20.975 1.00 0.00 H new ATOM 0 HG LEU A 82 7.426 13.808 -23.337 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.811 12.455 -24.630 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.354 11.609 -24.367 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.924 11.171 -23.403 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.974 14.114 -23.010 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.030 12.974 -21.644 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.908 14.519 -21.549 1.00 0.00 H new ATOM 1250 N GLN A 83 10.564 12.505 -24.068 1.00 0.00 N ATOM 1251 CA GLN A 83 11.376 13.376 -24.924 1.00 0.00 C ATOM 1252 C GLN A 83 10.501 13.986 -26.036 1.00 0.00 C ATOM 1253 O GLN A 83 10.192 13.318 -27.015 1.00 0.00 O ATOM 1254 CB GLN A 83 12.557 12.565 -25.530 1.00 0.00 C ATOM 1255 CG GLN A 83 13.546 13.393 -26.373 1.00 0.00 C ATOM 1256 CD GLN A 83 14.116 14.593 -25.612 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.155 14.500 -24.966 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.434 15.730 -25.695 1.00 0.00 N ATOM 0 H GLN A 83 10.514 11.541 -24.397 1.00 0.00 H new ATOM 0 HA GLN A 83 11.786 14.190 -24.327 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.105 12.087 -24.718 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.150 11.768 -26.152 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.366 12.752 -26.697 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.042 13.746 -27.273 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.574 15.770 -26.242 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.771 16.563 -25.212 1.00 0.00 H new ATOM 1267 N MET A 84 10.090 15.256 -25.867 1.00 0.00 N ATOM 1268 CA MET A 84 9.257 15.981 -26.854 1.00 0.00 C ATOM 1269 C MET A 84 10.100 17.051 -27.575 1.00 0.00 C ATOM 1270 O MET A 84 10.469 18.063 -26.973 1.00 0.00 O ATOM 1271 CB MET A 84 8.036 16.638 -26.155 1.00 0.00 C ATOM 1272 CG MET A 84 7.130 15.679 -25.373 1.00 0.00 C ATOM 1273 SD MET A 84 5.566 16.437 -24.852 1.00 0.00 S ATOM 1274 CE MET A 84 6.099 17.829 -23.847 1.00 0.00 C ATOM 0 H MET A 84 10.324 15.811 -25.044 1.00 0.00 H new ATOM 0 HA MET A 84 8.890 15.267 -27.591 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.400 17.405 -25.472 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.435 17.143 -26.911 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.915 14.807 -25.991 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.664 15.322 -24.493 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.554 17.826 -22.903 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.168 17.747 -23.650 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.898 18.759 -24.378 1.00 0.00 H new ATOM 1284 N ASN A 85 10.428 16.806 -28.859 1.00 0.00 N ATOM 1285 CA ASN A 85 11.198 17.758 -29.700 1.00 0.00 C ATOM 1286 C ASN A 85 10.271 18.412 -30.730 1.00 0.00 C ATOM 1287 O ASN A 85 9.328 17.774 -31.205 1.00 0.00 O ATOM 1288 CB ASN A 85 12.380 17.055 -30.425 1.00 0.00 C ATOM 1289 CG ASN A 85 13.391 16.402 -29.478 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.023 15.818 -28.465 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.677 16.522 -29.777 1.00 0.00 N ATOM 0 H ASN A 85 10.170 15.947 -29.345 1.00 0.00 H new ATOM 0 HA ASN A 85 11.614 18.522 -29.044 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.981 16.294 -31.095 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.898 17.786 -31.046 1.00 0.00 H new ATOM 0 HD21 ASN A 85 15.384 16.124 -29.158 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.960 17.012 -30.626 1.00 0.00 H new ATOM 1298 N SER A 86 10.575 19.680 -31.080 1.00 0.00 N ATOM 1299 CA SER A 86 9.762 20.503 -31.993 1.00 0.00 C ATOM 1300 C SER A 86 8.351 20.715 -31.401 1.00 0.00 C ATOM 1301 O SER A 86 7.335 20.300 -31.978 1.00 0.00 O ATOM 1302 CB SER A 86 9.724 19.898 -33.427 1.00 0.00 C ATOM 1303 OG SER A 86 8.993 20.714 -34.338 1.00 0.00 O ATOM 0 H SER A 86 11.402 20.164 -30.731 1.00 0.00 H new ATOM 0 HA SER A 86 10.229 21.483 -32.092 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.743 19.771 -33.793 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.274 18.906 -33.389 1.00 0.00 H new ATOM 0 HG SER A 86 9.251 20.490 -35.257 1.00 0.00 H new ATOM 1309 N LEU A 87 8.322 21.344 -30.219 1.00 0.00 N ATOM 1310 CA LEU A 87 7.080 21.655 -29.501 1.00 0.00 C ATOM 1311 C LEU A 87 6.356 22.851 -30.133 1.00 0.00 C ATOM 1312 O LEU A 87 6.972 23.722 -30.740 1.00 0.00 O ATOM 1313 CB LEU A 87 7.394 21.895 -28.001 1.00 0.00 C ATOM 1314 CG LEU A 87 7.638 20.598 -27.169 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.168 20.911 -25.757 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.346 19.758 -27.104 1.00 0.00 C ATOM 0 H LEU A 87 9.163 21.653 -29.732 1.00 0.00 H new ATOM 0 HA LEU A 87 6.402 20.805 -29.579 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.277 22.530 -27.926 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.566 22.446 -27.554 1.00 0.00 H new ATOM 0 HG LEU A 87 8.409 20.017 -27.674 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.324 19.980 -25.212 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.113 21.449 -25.834 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.443 21.526 -25.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.528 18.855 -26.521 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.556 20.342 -26.632 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.040 19.483 -28.113 1.00 0.00 H new ATOM 1328 N LYS A 88 5.030 22.853 -29.994 1.00 0.00 N ATOM 1329 CA LYS A 88 4.134 23.866 -30.577 1.00 0.00 C ATOM 1330 C LYS A 88 3.540 24.727 -29.441 1.00 0.00 C ATOM 1331 O LYS A 88 3.489 24.263 -28.305 1.00 0.00 O ATOM 1332 CB LYS A 88 3.020 23.129 -31.372 1.00 0.00 C ATOM 1333 CG LYS A 88 3.525 22.291 -32.569 1.00 0.00 C ATOM 1334 CD LYS A 88 2.457 21.316 -33.143 1.00 0.00 C ATOM 1335 CE LYS A 88 2.248 20.032 -32.296 1.00 0.00 C ATOM 1336 NZ LYS A 88 1.669 20.276 -30.951 1.00 0.00 N ATOM 0 H LYS A 88 4.533 22.138 -29.463 1.00 0.00 H new ATOM 0 HA LYS A 88 4.673 24.527 -31.255 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.479 22.473 -30.690 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.306 23.866 -31.738 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.852 22.965 -33.361 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.398 21.717 -32.257 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.506 21.843 -33.224 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.749 21.028 -34.153 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.594 19.353 -32.843 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.207 19.527 -32.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.192 19.414 -30.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.428 20.531 -30.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.981 21.054 -31.005 1.00 0.00 H new ATOM 1350 N PRO A 89 3.072 25.993 -29.717 1.00 0.00 N ATOM 1351 CA PRO A 89 2.528 26.896 -28.661 1.00 0.00 C ATOM 1352 C PRO A 89 1.306 26.293 -27.911 1.00 0.00 C ATOM 1353 O PRO A 89 1.045 26.634 -26.754 1.00 0.00 O ATOM 1354 CB PRO A 89 2.130 28.174 -29.446 1.00 0.00 C ATOM 1355 CG PRO A 89 1.993 27.724 -30.870 1.00 0.00 C ATOM 1356 CD PRO A 89 3.042 26.656 -31.048 1.00 0.00 C ATOM 0 HA PRO A 89 3.258 27.078 -27.873 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.196 28.593 -29.072 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.889 28.950 -29.348 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.995 27.332 -31.065 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.152 28.551 -31.562 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.776 25.957 -31.841 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.011 27.081 -31.309 1.00 0.00 H new ATOM 1364 N GLU A 90 0.582 25.389 -28.601 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.592 24.668 -28.047 1.00 0.00 C ATOM 1366 C GLU A 90 -0.199 23.686 -26.914 1.00 0.00 C ATOM 1367 O GLU A 90 -1.057 23.268 -26.129 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.315 23.924 -29.197 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.409 22.946 -29.974 1.00 0.00 C ATOM 1370 CD GLU A 90 -1.091 22.299 -31.185 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -1.203 21.060 -31.238 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.502 23.040 -32.104 1.00 0.00 O ATOM 0 H GLU A 90 0.793 25.134 -29.566 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.264 25.400 -27.599 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.160 23.372 -28.785 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.722 24.658 -29.893 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.480 23.479 -30.311 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.072 22.161 -29.296 1.00 0.00 H new ATOM 1379 N ASP A 91 1.105 23.344 -26.829 1.00 0.00 N ATOM 1380 CA ASP A 91 1.665 22.513 -25.741 1.00 0.00 C ATOM 1381 C ASP A 91 1.909 23.355 -24.461 1.00 0.00 C ATOM 1382 O ASP A 91 2.641 22.931 -23.565 1.00 0.00 O ATOM 1383 CB ASP A 91 2.983 21.822 -26.202 1.00 0.00 C ATOM 1384 CG ASP A 91 2.797 20.856 -27.388 1.00 0.00 C ATOM 1385 OD1 ASP A 91 2.727 21.322 -28.544 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.716 19.626 -27.174 1.00 0.00 O ATOM 0 H ASP A 91 1.801 23.637 -27.515 1.00 0.00 H new ATOM 0 HA ASP A 91 0.935 21.740 -25.500 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.706 22.589 -26.480 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.408 21.273 -25.362 1.00 0.00 H new ATOM 1391 N THR A 92 1.310 24.566 -24.383 1.00 0.00 N ATOM 1392 CA THR A 92 1.168 25.288 -23.109 1.00 0.00 C ATOM 1393 C THR A 92 -0.059 24.705 -22.372 1.00 0.00 C ATOM 1394 O THR A 92 -1.197 25.154 -22.562 1.00 0.00 O ATOM 1395 CB THR A 92 1.018 26.831 -23.334 1.00 0.00 C ATOM 1396 OG1 THR A 92 2.163 27.319 -24.043 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.868 27.620 -22.016 1.00 0.00 C ATOM 0 H THR A 92 0.920 25.057 -25.187 1.00 0.00 H new ATOM 0 HA THR A 92 2.066 25.155 -22.506 1.00 0.00 H new ATOM 0 HB THR A 92 0.105 26.983 -23.909 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.029 27.196 -25.006 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.768 28.683 -22.237 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.019 27.275 -21.484 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.749 27.460 -21.394 1.00 0.00 H new ATOM 1405 N ALA A 93 0.207 23.672 -21.559 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.826 22.873 -20.882 1.00 0.00 C ATOM 1407 C ALA A 93 -0.169 21.998 -19.793 1.00 0.00 C ATOM 1408 O ALA A 93 0.984 22.228 -19.407 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.574 22.016 -21.929 1.00 0.00 C ATOM 0 H ALA A 93 1.157 23.364 -21.350 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.552 23.524 -20.395 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.341 21.422 -21.432 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.042 22.669 -22.666 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.868 21.353 -22.428 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.909 21.010 -19.281 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.397 20.050 -18.302 1.00 0.00 C ATOM 1417 C VAL A 94 -0.378 18.626 -18.904 1.00 0.00 C ATOM 1418 O VAL A 94 -1.423 18.057 -19.237 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.234 20.121 -16.957 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.758 19.918 -17.170 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.678 19.142 -15.908 1.00 0.00 C ATOM 0 H VAL A 94 -1.884 20.854 -19.536 1.00 0.00 H new ATOM 0 HA VAL A 94 0.631 20.312 -18.052 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.118 21.136 -16.577 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.271 19.978 -16.210 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.139 20.694 -17.834 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.936 18.939 -17.615 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.270 19.211 -14.996 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.728 18.125 -16.297 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.359 19.395 -15.687 1.00 0.00 H new ATOM 1431 N TYR A 95 0.837 18.080 -19.105 1.00 0.00 N ATOM 1432 CA TYR A 95 1.029 16.659 -19.431 1.00 0.00 C ATOM 1433 C TYR A 95 1.058 15.889 -18.111 1.00 0.00 C ATOM 1434 O TYR A 95 1.745 16.284 -17.187 1.00 0.00 O ATOM 1435 CB TYR A 95 2.341 16.422 -20.241 1.00 0.00 C ATOM 1436 CG TYR A 95 2.188 16.571 -21.772 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.360 15.476 -22.634 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.885 17.800 -22.356 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.233 15.610 -24.005 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.758 17.936 -23.730 1.00 0.00 C ATOM 1441 CZ TYR A 95 1.936 16.842 -24.548 1.00 0.00 C ATOM 1442 OH TYR A 95 1.806 16.978 -25.912 1.00 0.00 O ATOM 0 H TYR A 95 1.706 18.610 -19.046 1.00 0.00 H new ATOM 0 HA TYR A 95 0.213 16.311 -20.064 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.098 17.125 -19.895 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.712 15.421 -20.022 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.597 14.508 -22.218 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.746 18.665 -21.724 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.366 14.752 -24.648 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.520 18.898 -24.158 1.00 0.00 H new ATOM 0 HH TYR A 95 2.129 17.862 -26.185 1.00 0.00 H new ATOM 1452 N LEU A 96 0.277 14.813 -18.029 1.00 0.00 N ATOM 1453 CA LEU A 96 0.108 14.025 -16.800 1.00 0.00 C ATOM 1454 C LEU A 96 0.313 12.542 -17.118 1.00 0.00 C ATOM 1455 O LEU A 96 -0.327 11.998 -18.025 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.284 14.290 -16.119 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.602 13.966 -16.924 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -3.850 14.062 -16.014 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -2.777 14.874 -18.162 1.00 0.00 C ATOM 0 H LEU A 96 -0.263 14.457 -18.818 1.00 0.00 H new ATOM 0 HA LEU A 96 0.861 14.338 -16.077 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.313 13.714 -15.194 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.319 15.343 -15.840 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.501 12.941 -17.280 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.743 13.834 -16.596 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.759 13.349 -15.195 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.929 15.071 -15.610 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.699 14.609 -18.680 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.825 15.916 -17.845 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.931 14.738 -18.835 1.00 0.00 H new ATOM 1471 N CYS A 97 1.237 11.897 -16.390 1.00 0.00 N ATOM 1472 CA CYS A 97 1.506 10.470 -16.563 1.00 0.00 C ATOM 1473 C CYS A 97 0.579 9.676 -15.649 1.00 0.00 C ATOM 1474 O CYS A 97 0.321 10.068 -14.499 1.00 0.00 O ATOM 1475 CB CYS A 97 2.978 10.139 -16.246 1.00 0.00 C ATOM 1476 SG CYS A 97 3.466 10.487 -14.553 1.00 0.00 S ATOM 0 H CYS A 97 1.809 12.346 -15.675 1.00 0.00 H new ATOM 0 HA CYS A 97 1.323 10.199 -17.603 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.153 9.083 -16.453 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.619 10.707 -16.920 1.00 0.00 H new ATOM 0 HG CYS A 97 4.312 9.585 -14.151 1.00 0.00 H new ATOM 1482 N ALA A 98 0.058 8.584 -16.184 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.836 7.676 -15.485 1.00 0.00 C ATOM 1484 C ALA A 98 -0.136 6.337 -15.251 1.00 0.00 C ATOM 1485 O ALA A 98 0.749 5.946 -16.021 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.110 7.488 -16.306 1.00 0.00 C ATOM 0 H ALA A 98 0.251 8.297 -17.144 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.104 8.095 -14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.782 6.807 -15.784 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.602 8.451 -16.440 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.857 7.071 -17.281 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.545 5.649 -14.185 1.00 0.00 N ATOM 1493 CA ALA A 99 -0.020 4.335 -13.809 1.00 0.00 C ATOM 1494 C ALA A 99 -1.181 3.371 -13.557 1.00 0.00 C ATOM 1495 O ALA A 99 -2.333 3.787 -13.459 1.00 0.00 O ATOM 1496 CB ALA A 99 0.864 4.464 -12.561 1.00 0.00 C ATOM 0 H ALA A 99 -1.262 5.994 -13.547 1.00 0.00 H new ATOM 0 HA ALA A 99 0.590 3.939 -14.621 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.251 3.483 -12.287 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.696 5.136 -12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.274 4.865 -11.737 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.859 2.086 -13.457 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.846 1.052 -13.189 1.00 0.00 C ATOM 1504 C GLY A 100 -1.289 -0.326 -13.466 1.00 0.00 C ATOM 1505 O GLY A 100 -0.079 -0.490 -13.660 1.00 0.00 O ATOM 0 H GLY A 100 0.093 1.734 -13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.167 1.114 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.729 1.220 -13.806 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.262 2.634 -16.776 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.557 3.619 -15.950 1.00 0.00 C ATOM 1654 C PRO A 110 -5.451 4.060 -14.775 1.00 0.00 C ATOM 1655 O PRO A 110 -6.231 5.008 -14.878 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.255 4.758 -16.951 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.397 4.724 -17.920 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.842 3.273 -17.992 1.00 0.00 C ATOM 0 HA PRO A 110 -3.646 3.250 -15.478 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.192 5.722 -16.447 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.302 4.599 -17.456 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.212 5.366 -17.585 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.088 5.086 -18.900 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.929 3.193 -18.000 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.480 2.793 -18.901 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.387 3.294 -13.681 1.00 0.00 N ATOM 1667 CA ASP A 111 -6.207 3.527 -12.475 1.00 0.00 C ATOM 1668 C ASP A 111 -5.691 4.744 -11.678 1.00 0.00 C ATOM 1669 O ASP A 111 -6.450 5.433 -10.986 1.00 0.00 O ATOM 1670 CB ASP A 111 -6.200 2.244 -11.606 1.00 0.00 C ATOM 1671 CG ASP A 111 -7.006 2.374 -10.296 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -6.401 2.615 -9.229 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -8.249 2.226 -10.329 1.00 0.00 O ATOM 0 H ASP A 111 -4.764 2.490 -13.601 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.231 3.753 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.606 1.418 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.169 1.987 -11.363 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.393 5.000 -11.815 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.671 6.033 -11.061 1.00 0.00 C ATOM 1680 C TYR A 112 -3.227 7.150 -12.008 1.00 0.00 C ATOM 1681 O TYR A 112 -3.012 6.913 -13.196 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.429 5.413 -10.370 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.740 4.155 -9.545 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.648 2.882 -10.115 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -3.129 4.237 -8.210 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -2.929 1.746 -9.385 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -3.409 3.100 -7.480 1.00 0.00 C ATOM 1688 CZ TYR A 112 -3.311 1.860 -8.071 1.00 0.00 C ATOM 1689 OH TYR A 112 -3.585 0.727 -7.337 1.00 0.00 O ATOM 0 H TYR A 112 -3.797 4.487 -12.465 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.334 6.446 -10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.689 5.163 -11.130 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.977 6.161 -9.718 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.351 2.786 -11.149 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -3.213 5.205 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.849 0.772 -9.844 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.705 3.183 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.840 0.981 -6.426 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.137 8.372 -11.472 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.487 9.523 -12.131 1.00 0.00 C ATOM 1701 C TRP A 113 -1.531 10.159 -11.124 1.00 0.00 C ATOM 1702 O TRP A 113 -1.801 10.153 -9.915 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.524 10.562 -12.655 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.188 10.152 -13.955 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -3.793 10.498 -15.221 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.348 9.317 -14.118 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -4.626 9.929 -16.149 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.585 9.199 -15.499 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.197 8.650 -13.230 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -6.639 8.456 -16.012 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.248 7.913 -13.740 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.457 7.815 -15.121 1.00 0.00 C ATOM 0 H TRP A 113 -3.518 8.598 -10.553 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.940 9.177 -13.008 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.292 10.712 -11.896 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.025 11.521 -12.798 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.947 11.128 -15.454 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.545 10.033 -17.160 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.034 8.710 -12.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -6.808 8.386 -17.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.919 7.405 -13.063 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.280 7.222 -15.491 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.410 10.683 -11.627 1.00 0.00 N ATOM 1724 CA GLY A 114 0.635 11.241 -10.779 1.00 0.00 C ATOM 1725 C GLY A 114 0.237 12.548 -10.120 1.00 0.00 C ATOM 1726 O GLY A 114 -0.157 12.567 -8.951 1.00 0.00 O ATOM 0 H GLY A 114 -0.207 10.730 -12.625 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.893 10.516 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.532 11.402 -11.377 1.00 0.00 H new ATOM 1730 N GLN A 115 0.319 13.633 -10.893 1.00 0.00 N ATOM 1731 CA GLN A 115 0.069 15.003 -10.411 1.00 0.00 C ATOM 1732 C GLN A 115 -0.141 15.942 -11.602 1.00 0.00 C ATOM 1733 O GLN A 115 -1.013 16.818 -11.579 1.00 0.00 O ATOM 1734 CB GLN A 115 1.260 15.501 -9.532 1.00 0.00 C ATOM 1735 CG GLN A 115 2.649 15.371 -10.199 1.00 0.00 C ATOM 1736 CD GLN A 115 3.797 15.955 -9.381 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.840 16.418 -10.056 1.00 0.00 O flip ATOM 1738 NE2 GLN A 115 3.748 15.992 -8.151 1.00 0.00 N flip ATOM 0 H GLN A 115 0.563 13.590 -11.882 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.832 15.000 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.092 16.546 -9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.266 14.939 -8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.852 14.316 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.621 15.867 -11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.931 15.627 -7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.525 16.387 -7.621 1.00 0.00 H new ATOM 1747 N GLY A 116 0.672 15.730 -12.646 1.00 0.00 N ATOM 1748 CA GLY A 116 0.674 16.571 -13.829 1.00 0.00 C ATOM 1749 C GLY A 116 1.840 17.551 -13.834 1.00 0.00 C ATOM 1750 O GLY A 116 1.947 18.400 -12.940 1.00 0.00 O ATOM 0 H GLY A 116 1.346 14.965 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.725 15.944 -14.719 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.264 17.124 -13.882 1.00 0.00 H new ATOM 1754 N THR A 117 2.704 17.448 -14.853 1.00 0.00 N ATOM 1755 CA THR A 117 3.816 18.382 -15.066 1.00 0.00 C ATOM 1756 C THR A 117 3.395 19.469 -16.094 1.00 0.00 C ATOM 1757 O THR A 117 3.141 19.183 -17.278 1.00 0.00 O ATOM 1758 CB THR A 117 5.128 17.626 -15.508 1.00 0.00 C ATOM 1759 OG1 THR A 117 6.192 18.556 -15.767 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.920 16.717 -16.733 1.00 0.00 C ATOM 0 H THR A 117 2.650 16.711 -15.556 1.00 0.00 H new ATOM 0 HA THR A 117 4.049 18.875 -14.122 1.00 0.00 H new ATOM 0 HB THR A 117 5.400 16.982 -14.672 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.053 18.089 -15.723 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.860 16.226 -16.986 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.167 15.963 -16.503 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.585 17.317 -17.579 1.00 0.00 H new ATOM 1768 N GLN A 118 3.259 20.718 -15.591 1.00 0.00 N ATOM 1769 CA GLN A 118 2.841 21.880 -16.397 1.00 0.00 C ATOM 1770 C GLN A 118 3.955 22.284 -17.379 1.00 0.00 C ATOM 1771 O GLN A 118 4.907 22.985 -17.010 1.00 0.00 O ATOM 1772 CB GLN A 118 2.477 23.079 -15.462 1.00 0.00 C ATOM 1773 CG GLN A 118 1.194 22.887 -14.613 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.125 23.310 -15.304 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.197 23.273 -16.636 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 -1.074 23.703 -14.628 1.00 0.00 N flip ATOM 0 H GLN A 118 3.437 20.945 -14.613 1.00 0.00 H new ATOM 0 HA GLN A 118 1.958 21.605 -16.974 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.315 23.262 -14.789 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.358 23.973 -16.074 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.117 21.837 -14.332 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.300 23.457 -13.690 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.001 23.725 -13.611 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.934 24.007 -15.084 1.00 0.00 H new ATOM 1785 N VAL A 119 3.812 21.834 -18.632 1.00 0.00 N ATOM 1786 CA VAL A 119 4.718 22.187 -19.732 1.00 0.00 C ATOM 1787 C VAL A 119 4.191 23.467 -20.392 1.00 0.00 C ATOM 1788 O VAL A 119 2.996 23.596 -20.650 1.00 0.00 O ATOM 1789 CB VAL A 119 4.851 21.009 -20.778 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.490 19.757 -20.123 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.487 20.659 -21.418 1.00 0.00 C ATOM 0 H VAL A 119 3.057 21.209 -18.913 1.00 0.00 H new ATOM 0 HA VAL A 119 5.720 22.360 -19.340 1.00 0.00 H new ATOM 0 HB VAL A 119 5.510 21.352 -21.575 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.571 18.961 -20.863 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.483 20.008 -19.750 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.866 19.421 -19.295 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.618 19.845 -22.131 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.788 20.351 -20.640 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.092 21.534 -21.934 1.00 0.00 H new ATOM 1801 N THR A 120 5.070 24.431 -20.626 1.00 0.00 N ATOM 1802 CA THR A 120 4.671 25.753 -21.107 1.00 0.00 C ATOM 1803 C THR A 120 5.505 26.080 -22.340 1.00 0.00 C ATOM 1804 O THR A 120 6.700 26.294 -22.233 1.00 0.00 O ATOM 1805 CB THR A 120 4.880 26.813 -19.969 1.00 0.00 C ATOM 1806 OG1 THR A 120 4.329 26.309 -18.732 1.00 0.00 O ATOM 1807 CG2 THR A 120 4.222 28.164 -20.290 1.00 0.00 C ATOM 0 H THR A 120 6.075 24.324 -20.490 1.00 0.00 H new ATOM 0 HA THR A 120 3.615 25.769 -21.378 1.00 0.00 H new ATOM 0 HB THR A 120 5.954 26.978 -19.880 1.00 0.00 H new ATOM 0 HG1 THR A 120 4.461 26.971 -18.021 1.00 0.00 H new ATOM 0 HG21 THR A 120 4.398 28.859 -19.469 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.651 28.569 -21.206 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.149 28.024 -20.423 1.00 0.00 H new ATOM 1815 N VAL A 121 4.907 26.027 -23.532 1.00 0.00 N ATOM 1816 CA VAL A 121 5.635 26.341 -24.767 1.00 0.00 C ATOM 1817 C VAL A 121 5.185 27.707 -25.291 1.00 0.00 C ATOM 1818 O VAL A 121 4.130 27.819 -25.935 1.00 0.00 O ATOM 1819 CB VAL A 121 5.458 25.222 -25.849 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.316 25.511 -27.111 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.786 23.833 -25.246 1.00 0.00 C ATOM 0 H VAL A 121 3.929 25.772 -23.670 1.00 0.00 H new ATOM 0 HA VAL A 121 6.700 26.383 -24.541 1.00 0.00 H new ATOM 0 HB VAL A 121 4.415 25.217 -26.167 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.169 24.715 -27.841 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.013 26.463 -27.547 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.369 25.558 -26.832 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.659 23.066 -26.010 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.817 23.824 -24.891 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.114 23.630 -24.412 1.00 0.00 H new ATOM 1831 N SER A 122 5.977 28.754 -24.978 1.00 0.00 N ATOM 1832 CA SER A 122 5.703 30.111 -25.469 1.00 0.00 C ATOM 1833 C SER A 122 5.979 30.186 -26.981 1.00 0.00 C ATOM 1834 O SER A 122 7.035 29.748 -27.438 1.00 0.00 O ATOM 1835 CB SER A 122 6.551 31.150 -24.710 1.00 0.00 C ATOM 1836 OG SER A 122 6.219 32.480 -25.080 1.00 0.00 O ATOM 0 H SER A 122 6.807 28.681 -24.390 1.00 0.00 H new ATOM 0 HA SER A 122 4.653 30.341 -25.290 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.403 31.025 -23.637 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.608 30.971 -24.910 1.00 0.00 H new ATOM 0 HG SER A 122 6.777 33.109 -24.576 1.00 0.00 H new ATOM 1842 N SER A 123 5.002 30.707 -27.741 1.00 0.00 N ATOM 1843 CA SER A 123 5.120 30.901 -29.194 1.00 0.00 C ATOM 1844 C SER A 123 6.296 31.845 -29.526 1.00 0.00 C ATOM 1845 O SER A 123 6.161 33.058 -29.400 1.00 0.00 O ATOM 1846 CB SER A 123 3.788 31.465 -29.751 1.00 0.00 C ATOM 1847 OG SER A 123 3.835 31.654 -31.157 1.00 0.00 O ATOM 0 H SER A 123 4.104 31.007 -27.362 1.00 0.00 H new ATOM 0 HA SER A 123 5.323 29.939 -29.666 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.975 30.783 -29.504 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.566 32.415 -29.265 1.00 0.00 H new ATOM 0 HG SER A 123 2.976 32.009 -31.468 1.00 0.00 H new ATOM 1853 N LEU A 124 7.455 31.244 -29.890 1.00 0.00 N ATOM 1854 CA LEU A 124 8.701 31.938 -30.308 1.00 0.00 C ATOM 1855 C LEU A 124 9.510 32.513 -29.119 1.00 0.00 C ATOM 1856 O LEU A 124 10.746 32.384 -29.093 1.00 0.00 O ATOM 1857 CB LEU A 124 8.453 33.015 -31.417 1.00 0.00 C ATOM 1858 CG LEU A 124 8.286 32.498 -32.889 1.00 0.00 C ATOM 1859 CD1 LEU A 124 9.564 31.786 -33.389 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.036 31.603 -33.058 1.00 0.00 C ATOM 0 H LEU A 124 7.553 30.229 -29.902 1.00 0.00 H new ATOM 0 HA LEU A 124 9.323 31.162 -30.754 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.556 33.575 -31.151 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.285 33.719 -31.398 1.00 0.00 H new ATOM 0 HG LEU A 124 8.131 33.377 -33.515 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.412 31.441 -34.412 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.403 32.482 -33.362 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.780 30.932 -32.747 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.964 31.270 -34.093 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.118 30.736 -32.403 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.143 32.172 -32.797 1.00 0.00 H new