USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -2.56 K(o=-3.5,f=-5!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.907 USER MOD Set 2.1: A 53 ASN : amide:sc= -0.204 K(o=-0.39,f=-5.2!) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.182 X(o=-0.39,f=-0.51) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.0467 USER MOD Set 3.2: A 31 SER OG : rot -84:sc= -0.359 USER MOD Single : A 8 THR OG1 : rot 39:sc= 0.0518 USER MOD Single : A 9 MET CE :methyl -175:sc= 0 (180deg=-0.0242) USER MOD Single : A 14 SER OG : rot -56:sc= 0.994 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -9.63! C(o=-9.6!,f=-14!) USER MOD Single : A 32 GLN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= 0.59 (180deg=-0.785) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.934 K(o=-0.93,f=-6.8!) USER MOD Single : A 40 GLN :FLIP amide:sc= -4.83! C(o=-5.4!,f=-4.8!) USER MOD Single : A 46 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-8!) USER MOD Single : A 47 ASN :FLIP amide:sc= -3.57 F(o=-4.1!,f=-3.6) USER MOD Single : A 48 GLN : amide:sc= -4.65! C(o=-4.7!,f=-13!) USER MOD Single : A 49 THR OG1 : rot 85:sc= 0.92 USER MOD Single : A 51 SER OG : rot -147:sc= -0.462 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.719 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -167:sc= -3.72! (180deg=-4.37!) USER MOD Single : A 75 ASN : amide:sc=-0.00438 X(o=-0.0044,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -130:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.095) USER MOD Single : A 85 HIS : no HD1:sc= -2.99! C(o=-3!,f=-4.8!) USER MOD Single : A 87 SER OG : rot -100:sc= -1.85! USER MOD Single : A 88 MET CE :methyl -141:sc= -2.41 (180deg=-4.99!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.888 USER MOD Single : A 93 TYR OH : rot 16:sc= -0.213 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.408 8.296 8.456 1.00 0.00 N ATOM 67 CA THR A 8 -9.335 6.926 8.934 1.00 0.00 C ATOM 68 C THR A 8 -7.974 6.315 8.596 1.00 0.00 C ATOM 69 O THR A 8 -7.705 5.990 7.441 1.00 0.00 O ATOM 70 CB THR A 8 -10.513 6.153 8.338 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.645 6.636 9.057 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.466 4.661 8.674 1.00 0.00 C ATOM 0 HA THR A 8 -9.415 6.882 10.020 1.00 0.00 H new ATOM 0 HB THR A 8 -10.519 6.280 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.553 7.601 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.325 4.160 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.547 4.228 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.493 4.531 9.756 1.00 0.00 H new ATOM 80 N MET A 9 -7.151 6.177 9.626 1.00 0.00 N ATOM 81 CA MET A 9 -5.824 5.610 9.452 1.00 0.00 C ATOM 82 C MET A 9 -5.856 4.087 9.588 1.00 0.00 C ATOM 83 O MET A 9 -6.580 3.550 10.425 1.00 0.00 O ATOM 84 CB MET A 9 -4.877 6.197 10.501 1.00 0.00 C ATOM 85 CG MET A 9 -3.448 5.692 10.294 1.00 0.00 C ATOM 86 SD MET A 9 -2.703 5.303 11.869 1.00 0.00 S ATOM 87 CE MET A 9 -3.377 3.672 12.137 1.00 0.00 C ATOM 0 H MET A 9 -7.377 6.448 10.583 1.00 0.00 H new ATOM 0 HA MET A 9 -5.471 5.859 8.451 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.894 7.285 10.443 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.221 5.926 11.499 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.455 4.807 9.657 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.857 6.450 9.780 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.083 3.314 13.124 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.464 3.713 12.075 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.996 2.991 11.376 1.00 0.00 H new ATOM 97 N LEU A 10 -5.063 3.433 8.753 1.00 0.00 N ATOM 98 CA LEU A 10 -4.991 1.982 8.769 1.00 0.00 C ATOM 99 C LEU A 10 -3.536 1.550 8.960 1.00 0.00 C ATOM 100 O LEU A 10 -2.617 2.248 8.536 1.00 0.00 O ATOM 101 CB LEU A 10 -5.647 1.399 7.515 1.00 0.00 C ATOM 102 CG LEU A 10 -7.177 1.395 7.498 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.710 0.519 6.363 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.739 0.976 8.858 1.00 0.00 C ATOM 0 H LEU A 10 -4.464 3.882 8.060 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.556 1.582 9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.295 1.962 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.299 0.373 7.391 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.519 2.412 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.800 0.533 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.351 0.903 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.359 -0.504 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.828 0.981 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.390 -0.027 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.400 1.675 9.623 1.00 0.00 H new ATOM 116 N ARG A 11 -3.373 0.400 9.599 1.00 0.00 N ATOM 117 CA ARG A 11 -2.045 -0.133 9.851 1.00 0.00 C ATOM 118 C ARG A 11 -1.786 -1.353 8.964 1.00 0.00 C ATOM 119 O ARG A 11 -2.259 -2.450 9.257 1.00 0.00 O ATOM 120 CB ARG A 11 -1.883 -0.535 11.318 1.00 0.00 C ATOM 121 CG ARG A 11 -0.915 0.405 12.040 1.00 0.00 C ATOM 122 CD ARG A 11 -0.563 -0.131 13.429 1.00 0.00 C ATOM 123 NE ARG A 11 -0.022 0.959 14.271 1.00 0.00 N ATOM 124 CZ ARG A 11 0.166 0.864 15.594 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.140 -0.272 16.234 1.00 0.00 N ATOM 126 NH2 ARG A 11 0.662 1.905 16.277 1.00 0.00 N ATOM 0 H ARG A 11 -4.138 -0.177 9.949 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.323 0.650 9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.853 -0.514 11.814 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.515 -1.559 11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.006 0.520 11.450 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.363 1.394 12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.449 -0.558 13.898 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.170 -0.933 13.343 1.00 0.00 H new ATOM 0 HE ARG A 11 0.223 1.838 13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.516 -1.065 15.714 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.003 -0.344 17.241 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.896 2.770 15.789 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.805 1.833 17.284 1.00 0.00 H new ATOM 140 N VAL A 12 -1.036 -1.120 7.897 1.00 0.00 N ATOM 141 CA VAL A 12 -0.708 -2.186 6.966 1.00 0.00 C ATOM 142 C VAL A 12 0.641 -2.796 7.350 1.00 0.00 C ATOM 143 O VAL A 12 1.469 -2.137 7.976 1.00 0.00 O ATOM 144 CB VAL A 12 -0.737 -1.655 5.531 1.00 0.00 C ATOM 145 CG1 VAL A 12 -2.048 -0.918 5.246 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.469 -0.755 5.255 1.00 0.00 C ATOM 0 H VAL A 12 -0.646 -0.209 7.657 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.451 -2.981 7.019 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.679 -2.509 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.043 -0.551 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.886 -1.601 5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.149 -0.077 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.424 -0.391 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.456 0.092 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.388 -1.324 5.398 1.00 0.00 H new ATOM 156 N ARG A 13 0.821 -4.050 6.959 1.00 0.00 N ATOM 157 CA ARG A 13 2.055 -4.756 7.254 1.00 0.00 C ATOM 158 C ARG A 13 2.787 -5.110 5.958 1.00 0.00 C ATOM 159 O ARG A 13 2.221 -5.756 5.078 1.00 0.00 O ATOM 160 CB ARG A 13 1.781 -6.038 8.043 1.00 0.00 C ATOM 161 CG ARG A 13 3.079 -6.800 8.319 1.00 0.00 C ATOM 162 CD ARG A 13 3.548 -6.581 9.759 1.00 0.00 C ATOM 163 NE ARG A 13 3.755 -7.885 10.427 1.00 0.00 N ATOM 164 CZ ARG A 13 4.032 -8.026 11.731 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.139 -6.943 12.513 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.204 -9.248 12.252 1.00 0.00 N ATOM 0 H ARG A 13 0.132 -4.594 6.440 1.00 0.00 H new ATOM 0 HA ARG A 13 2.678 -4.097 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.292 -5.792 8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.094 -6.673 7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.925 -7.864 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.853 -6.470 7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.476 -6.009 9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.809 -5.996 10.306 1.00 0.00 H new ATOM 0 HE ARG A 13 3.682 -8.730 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.010 -6.012 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.350 -7.049 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.124 -10.072 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.415 -9.354 13.244 1.00 0.00 H new ATOM 180 N SER A 14 4.036 -4.672 5.882 1.00 0.00 N ATOM 181 CA SER A 14 4.851 -4.935 4.709 1.00 0.00 C ATOM 182 C SER A 14 6.078 -5.763 5.098 1.00 0.00 C ATOM 183 O SER A 14 6.335 -5.979 6.281 1.00 0.00 O ATOM 184 CB SER A 14 5.283 -3.631 4.034 1.00 0.00 C ATOM 185 OG SER A 14 6.149 -2.862 4.865 1.00 0.00 O ATOM 0 H SER A 14 4.503 -4.137 6.614 1.00 0.00 H new ATOM 0 HA SER A 14 4.251 -5.500 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.789 -3.859 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.400 -3.041 3.786 1.00 0.00 H new ATOM 0 HG SER A 14 5.711 -2.692 5.725 1.00 0.00 H new ATOM 191 N ARG A 15 6.802 -6.203 4.080 1.00 0.00 N ATOM 192 CA ARG A 15 7.995 -7.002 4.301 1.00 0.00 C ATOM 193 C ARG A 15 9.083 -6.158 4.969 1.00 0.00 C ATOM 194 O ARG A 15 9.948 -6.690 5.663 1.00 0.00 O ATOM 195 CB ARG A 15 8.533 -7.565 2.984 1.00 0.00 C ATOM 196 CG ARG A 15 8.996 -6.441 2.055 1.00 0.00 C ATOM 197 CD ARG A 15 9.832 -6.994 0.899 1.00 0.00 C ATOM 198 NE ARG A 15 9.226 -6.607 -0.394 1.00 0.00 N ATOM 199 CZ ARG A 15 9.602 -7.105 -1.580 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.586 -8.013 -1.643 1.00 0.00 N ATOM 201 NH2 ARG A 15 8.996 -6.695 -2.702 1.00 0.00 N ATOM 0 H ARG A 15 6.586 -6.021 3.100 1.00 0.00 H new ATOM 0 HA ARG A 15 7.722 -7.832 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.364 -8.240 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.758 -8.152 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.129 -5.910 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.583 -5.717 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.851 -6.612 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.893 -8.080 0.971 1.00 0.00 H new ATOM 0 HE ARG A 15 8.474 -5.917 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.048 -8.324 -0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.873 -8.393 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.248 -6.003 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.283 -7.074 -3.604 1.00 0.00 H new ATOM 215 N ASP A 16 9.004 -4.856 4.735 1.00 0.00 N ATOM 216 CA ASP A 16 9.971 -3.934 5.305 1.00 0.00 C ATOM 217 C ASP A 16 9.559 -3.591 6.738 1.00 0.00 C ATOM 218 O ASP A 16 10.388 -3.164 7.541 1.00 0.00 O ATOM 219 CB ASP A 16 10.027 -2.631 4.505 1.00 0.00 C ATOM 220 CG ASP A 16 10.796 -2.715 3.186 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.994 -3.066 3.249 1.00 0.00 O ATOM 222 OD2 ASP A 16 10.170 -2.426 2.144 1.00 0.00 O ATOM 0 H ASP A 16 8.285 -4.418 4.159 1.00 0.00 H new ATOM 0 HA ASP A 16 10.949 -4.414 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.008 -2.308 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.484 -1.860 5.126 1.00 0.00 H new ATOM 227 N GLY A 17 8.279 -3.791 7.016 1.00 0.00 N ATOM 228 CA GLY A 17 7.747 -3.508 8.338 1.00 0.00 C ATOM 229 C GLY A 17 6.285 -3.065 8.258 1.00 0.00 C ATOM 230 O GLY A 17 5.666 -3.145 7.199 1.00 0.00 O ATOM 0 H GLY A 17 7.595 -4.146 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.828 -4.397 8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.341 -2.728 8.814 1.00 0.00 H new ATOM 234 N LEU A 18 5.776 -2.607 9.392 1.00 0.00 N ATOM 235 CA LEU A 18 4.398 -2.150 9.464 1.00 0.00 C ATOM 236 C LEU A 18 4.321 -0.699 8.986 1.00 0.00 C ATOM 237 O LEU A 18 5.047 0.161 9.482 1.00 0.00 O ATOM 238 CB LEU A 18 3.835 -2.365 10.870 1.00 0.00 C ATOM 239 CG LEU A 18 2.548 -1.607 11.200 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.314 -2.418 10.800 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.513 -1.201 12.675 1.00 0.00 C ATOM 0 H LEU A 18 6.293 -2.542 10.269 1.00 0.00 H new ATOM 0 HA LEU A 18 3.766 -2.739 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.651 -3.431 11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.598 -2.078 11.593 1.00 0.00 H new ATOM 0 HG LEU A 18 2.534 -0.689 10.612 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.413 -1.855 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.339 -2.613 9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.310 -3.364 11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.588 -0.664 12.883 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.563 -2.093 13.299 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.364 -0.556 12.895 1.00 0.00 H new ATOM 253 N GLU A 19 3.435 -0.471 8.028 1.00 0.00 N ATOM 254 CA GLU A 19 3.253 0.862 7.478 1.00 0.00 C ATOM 255 C GLU A 19 1.806 1.321 7.667 1.00 0.00 C ATOM 256 O GLU A 19 0.887 0.504 7.673 1.00 0.00 O ATOM 257 CB GLU A 19 3.654 0.905 6.002 1.00 0.00 C ATOM 258 CG GLU A 19 5.171 1.030 5.849 1.00 0.00 C ATOM 259 CD GLU A 19 5.617 0.610 4.447 1.00 0.00 C ATOM 260 OE1 GLU A 19 4.948 1.044 3.485 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.617 -0.135 4.369 1.00 0.00 O ATOM 0 H GLU A 19 2.835 -1.187 7.618 1.00 0.00 H new ATOM 0 HA GLU A 19 3.905 1.549 8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.308 0.001 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.165 1.748 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.476 2.059 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.668 0.408 6.594 1.00 0.00 H new ATOM 268 N ARG A 20 1.649 2.628 7.816 1.00 0.00 N ATOM 269 CA ARG A 20 0.329 3.207 8.005 1.00 0.00 C ATOM 270 C ARG A 20 0.004 4.171 6.862 1.00 0.00 C ATOM 271 O ARG A 20 0.907 4.714 6.228 1.00 0.00 O ATOM 272 CB ARG A 20 0.241 3.956 9.336 1.00 0.00 C ATOM 273 CG ARG A 20 1.326 5.031 9.432 1.00 0.00 C ATOM 274 CD ARG A 20 0.829 6.242 10.224 1.00 0.00 C ATOM 275 NE ARG A 20 0.601 7.385 9.310 1.00 0.00 N ATOM 276 CZ ARG A 20 1.562 8.228 8.908 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.821 8.062 9.336 1.00 0.00 N ATOM 278 NH2 ARG A 20 1.263 9.236 8.078 1.00 0.00 N ATOM 0 H ARG A 20 2.414 3.303 7.810 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.393 2.391 8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.742 4.416 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.347 3.252 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.212 4.616 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.623 5.344 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.095 5.992 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.560 6.514 10.985 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.346 7.540 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.048 7.294 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.552 8.704 9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.304 9.361 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.994 9.878 7.772 1.00 0.00 H new ATOM 292 N VAL A 21 -1.289 4.353 6.634 1.00 0.00 N ATOM 293 CA VAL A 21 -1.744 5.242 5.579 1.00 0.00 C ATOM 294 C VAL A 21 -3.135 5.774 5.931 1.00 0.00 C ATOM 295 O VAL A 21 -3.939 5.066 6.536 1.00 0.00 O ATOM 296 CB VAL A 21 -1.705 4.518 4.232 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.091 5.462 3.091 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.330 3.894 3.985 1.00 0.00 C ATOM 0 H VAL A 21 -2.035 3.900 7.162 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.079 6.101 5.491 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.438 3.712 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.055 4.922 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.100 5.839 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.393 6.298 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.329 3.385 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.429 4.676 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.109 3.175 4.774 1.00 0.00 H new ATOM 308 N SER A 22 -3.375 7.016 5.538 1.00 0.00 N ATOM 309 CA SER A 22 -4.655 7.651 5.805 1.00 0.00 C ATOM 310 C SER A 22 -5.602 7.436 4.622 1.00 0.00 C ATOM 311 O SER A 22 -5.208 7.602 3.469 1.00 0.00 O ATOM 312 CB SER A 22 -4.481 9.146 6.081 1.00 0.00 C ATOM 313 OG SER A 22 -5.620 9.704 6.730 1.00 0.00 O ATOM 0 H SER A 22 -2.705 7.600 5.037 1.00 0.00 H new ATOM 0 HA SER A 22 -5.086 7.193 6.695 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.598 9.300 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.306 9.670 5.142 1.00 0.00 H new ATOM 0 HG SER A 22 -5.470 10.659 6.891 1.00 0.00 H new ATOM 319 N VAL A 23 -6.833 7.071 4.950 1.00 0.00 N ATOM 320 CA VAL A 23 -7.839 6.832 3.929 1.00 0.00 C ATOM 321 C VAL A 23 -9.059 7.712 4.206 1.00 0.00 C ATOM 322 O VAL A 23 -8.984 8.653 4.996 1.00 0.00 O ATOM 323 CB VAL A 23 -8.179 5.341 3.868 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.911 4.495 3.736 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.998 4.915 5.087 1.00 0.00 C ATOM 0 H VAL A 23 -7.156 6.935 5.908 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.457 7.105 2.945 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.788 5.172 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.180 3.440 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.383 4.771 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.265 4.671 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.226 3.851 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.425 5.106 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.927 5.484 5.118 1.00 0.00 H new ATOM 335 N ASP A 24 -10.155 7.376 3.541 1.00 0.00 N ATOM 336 CA ASP A 24 -11.390 8.124 3.706 1.00 0.00 C ATOM 337 C ASP A 24 -12.353 7.323 4.583 1.00 0.00 C ATOM 338 O ASP A 24 -12.779 7.795 5.636 1.00 0.00 O ATOM 339 CB ASP A 24 -12.070 8.369 2.358 1.00 0.00 C ATOM 340 CG ASP A 24 -11.125 8.754 1.217 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.316 7.882 0.832 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.233 9.910 0.756 1.00 0.00 O ATOM 0 H ASP A 24 -10.213 6.596 2.887 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.145 9.082 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.612 7.467 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.810 9.160 2.480 1.00 0.00 H new ATOM 347 N GLY A 25 -12.669 6.124 4.117 1.00 0.00 N ATOM 348 CA GLY A 25 -13.575 5.252 4.846 1.00 0.00 C ATOM 349 C GLY A 25 -14.039 4.087 3.969 1.00 0.00 C ATOM 350 O GLY A 25 -13.350 3.702 3.026 1.00 0.00 O ATOM 0 H GLY A 25 -12.314 5.735 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.077 4.866 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.439 5.822 5.186 1.00 0.00 H new ATOM 354 N PRO A 26 -15.236 3.545 4.320 1.00 0.00 N ATOM 355 CA PRO A 26 -15.801 2.432 3.576 1.00 0.00 C ATOM 356 C PRO A 26 -16.368 2.901 2.234 1.00 0.00 C ATOM 357 O PRO A 26 -16.464 2.120 1.290 1.00 0.00 O ATOM 358 CB PRO A 26 -16.859 1.842 4.494 1.00 0.00 C ATOM 359 CG PRO A 26 -17.170 2.920 5.519 1.00 0.00 C ATOM 360 CD PRO A 26 -16.080 3.976 5.431 1.00 0.00 C ATOM 0 HA PRO A 26 -15.057 1.680 3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.752 1.567 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.495 0.936 4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.147 3.362 5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.208 2.494 6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.500 4.965 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.512 4.037 6.359 1.00 0.00 H new ATOM 368 N HIS A 27 -16.729 4.176 2.194 1.00 0.00 N ATOM 369 CA HIS A 27 -17.284 4.758 0.984 1.00 0.00 C ATOM 370 C HIS A 27 -16.313 4.548 -0.179 1.00 0.00 C ATOM 371 O HIS A 27 -16.699 4.653 -1.342 1.00 0.00 O ATOM 372 CB HIS A 27 -17.638 6.231 1.203 1.00 0.00 C ATOM 373 CG HIS A 27 -16.571 7.017 1.926 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.691 8.369 2.199 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.364 6.629 2.430 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.601 8.766 2.838 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.779 7.686 2.980 1.00 0.00 N ATOM 0 H HIS A 27 -16.648 4.821 2.980 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.216 4.254 0.728 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.826 6.697 0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.567 6.291 1.771 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.485 8.959 1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.954 5.631 2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.398 9.768 3.186 1.00 0.00 H new ATOM 385 N ILE A 28 -15.070 4.254 0.175 1.00 0.00 N ATOM 386 CA ILE A 28 -14.041 4.028 -0.824 1.00 0.00 C ATOM 387 C ILE A 28 -13.928 2.528 -1.105 1.00 0.00 C ATOM 388 O ILE A 28 -14.363 1.708 -0.298 1.00 0.00 O ATOM 389 CB ILE A 28 -12.722 4.673 -0.391 1.00 0.00 C ATOM 390 CG1 ILE A 28 -12.024 3.829 0.677 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.943 6.115 0.071 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.749 3.189 0.123 1.00 0.00 C ATOM 0 H ILE A 28 -14.753 4.167 1.141 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.312 4.509 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.059 4.710 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.778 4.453 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.701 3.052 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.990 6.550 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.365 6.698 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.631 6.125 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.272 2.595 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.001 2.546 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.064 3.970 -0.208 1.00 0.00 H new ATOM 404 N THR A 29 -13.342 2.215 -2.251 1.00 0.00 N ATOM 405 CA THR A 29 -13.167 0.828 -2.648 1.00 0.00 C ATOM 406 C THR A 29 -11.686 0.446 -2.613 1.00 0.00 C ATOM 407 O THR A 29 -10.822 1.310 -2.473 1.00 0.00 O ATOM 408 CB THR A 29 -13.810 0.646 -4.024 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.133 1.588 -4.851 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.269 1.104 -4.055 1.00 0.00 C ATOM 0 H THR A 29 -12.982 2.898 -2.918 1.00 0.00 H new ATOM 0 HA THR A 29 -13.661 0.151 -1.951 1.00 0.00 H new ATOM 0 HB THR A 29 -13.753 -0.403 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.487 1.536 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.677 0.953 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.848 0.525 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.324 2.162 -3.797 1.00 0.00 H new ATOM 418 N VAL A 30 -11.439 -0.849 -2.743 1.00 0.00 N ATOM 419 CA VAL A 30 -10.077 -1.356 -2.728 1.00 0.00 C ATOM 420 C VAL A 30 -9.233 -0.567 -3.731 1.00 0.00 C ATOM 421 O VAL A 30 -8.056 -0.307 -3.488 1.00 0.00 O ATOM 422 CB VAL A 30 -10.077 -2.862 -2.999 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.677 -3.350 -3.378 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.620 -3.636 -1.796 1.00 0.00 C ATOM 0 H VAL A 30 -12.159 -1.562 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.627 -1.216 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.739 -3.050 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.704 -4.423 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.343 -2.833 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.986 -3.142 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.609 -4.704 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.996 -3.438 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.642 -3.318 -1.590 1.00 0.00 H new ATOM 434 N SER A 31 -9.868 -0.209 -4.837 1.00 0.00 N ATOM 435 CA SER A 31 -9.190 0.545 -5.878 1.00 0.00 C ATOM 436 C SER A 31 -8.607 1.834 -5.296 1.00 0.00 C ATOM 437 O SER A 31 -7.424 2.120 -5.473 1.00 0.00 O ATOM 438 CB SER A 31 -10.140 0.866 -7.033 1.00 0.00 C ATOM 439 OG SER A 31 -10.695 2.174 -6.920 1.00 0.00 O ATOM 0 H SER A 31 -10.845 -0.427 -5.035 1.00 0.00 H new ATOM 0 HA SER A 31 -8.379 -0.068 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.604 0.780 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.945 0.131 -7.055 1.00 0.00 H new ATOM 0 HG SER A 31 -11.472 2.149 -6.324 1.00 0.00 H new ATOM 445 N GLN A 32 -9.465 2.578 -4.613 1.00 0.00 N ATOM 446 CA GLN A 32 -9.050 3.830 -4.003 1.00 0.00 C ATOM 447 C GLN A 32 -8.048 3.566 -2.877 1.00 0.00 C ATOM 448 O GLN A 32 -7.103 4.331 -2.690 1.00 0.00 O ATOM 449 CB GLN A 32 -10.258 4.616 -3.489 1.00 0.00 C ATOM 450 CG GLN A 32 -11.089 5.165 -4.650 1.00 0.00 C ATOM 451 CD GLN A 32 -11.927 6.365 -4.205 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.432 7.463 -4.010 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.221 6.096 -4.056 1.00 0.00 N ATOM 0 H GLN A 32 -10.446 2.338 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.560 4.437 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.878 3.971 -2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.920 5.438 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.430 5.460 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.743 4.383 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.570 5.155 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.864 6.831 -3.762 1.00 0.00 H new ATOM 462 N LEU A 33 -8.289 2.480 -2.157 1.00 0.00 N ATOM 463 CA LEU A 33 -7.419 2.106 -1.055 1.00 0.00 C ATOM 464 C LEU A 33 -5.992 1.922 -1.576 1.00 0.00 C ATOM 465 O LEU A 33 -5.064 2.569 -1.094 1.00 0.00 O ATOM 466 CB LEU A 33 -7.972 0.877 -0.330 1.00 0.00 C ATOM 467 CG LEU A 33 -7.409 0.613 1.068 1.00 0.00 C ATOM 468 CD1 LEU A 33 -7.970 -0.686 1.649 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.879 0.621 1.054 1.00 0.00 C ATOM 0 H LEU A 33 -9.074 1.848 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.386 2.900 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.054 0.983 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.783 -0.001 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.729 1.423 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.554 -0.850 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.056 -0.615 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.701 -1.520 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.505 0.431 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.517 -0.155 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.523 1.593 0.712 1.00 0.00 H new ATOM 481 N LYS A 34 -5.863 1.037 -2.553 1.00 0.00 N ATOM 482 CA LYS A 34 -4.565 0.760 -3.145 1.00 0.00 C ATOM 483 C LYS A 34 -3.922 2.075 -3.591 1.00 0.00 C ATOM 484 O LYS A 34 -2.928 2.512 -3.012 1.00 0.00 O ATOM 485 CB LYS A 34 -4.696 -0.271 -4.267 1.00 0.00 C ATOM 486 CG LYS A 34 -4.817 -1.687 -3.699 1.00 0.00 C ATOM 487 CD LYS A 34 -5.796 -2.526 -4.522 1.00 0.00 C ATOM 488 CE LYS A 34 -5.695 -4.007 -4.150 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.454 -4.836 -5.114 1.00 0.00 N ATOM 0 H LYS A 34 -6.636 0.502 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.899 0.312 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.572 -0.043 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.828 -0.212 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.838 -2.165 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.154 -1.640 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.814 -2.174 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.586 -2.399 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.650 -4.315 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.083 -4.163 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.056 -5.507 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.050 -4.222 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.790 -5.361 -5.718 1.00 0.00 H new ATOM 503 N THR A 35 -4.515 2.670 -4.615 1.00 0.00 N ATOM 504 CA THR A 35 -4.012 3.926 -5.145 1.00 0.00 C ATOM 505 C THR A 35 -3.424 4.781 -4.022 1.00 0.00 C ATOM 506 O THR A 35 -2.298 5.264 -4.129 1.00 0.00 O ATOM 507 CB THR A 35 -5.154 4.612 -5.898 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.238 3.899 -7.128 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.803 6.041 -6.318 1.00 0.00 C ATOM 0 H THR A 35 -5.340 2.306 -5.092 1.00 0.00 H new ATOM 0 HA THR A 35 -3.194 3.761 -5.846 1.00 0.00 H new ATOM 0 HB THR A 35 -6.045 4.627 -5.270 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.956 4.278 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.647 6.482 -6.848 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.580 6.636 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.932 6.024 -6.973 1.00 0.00 H new ATOM 517 N LEU A 36 -4.213 4.944 -2.970 1.00 0.00 N ATOM 518 CA LEU A 36 -3.785 5.733 -1.828 1.00 0.00 C ATOM 519 C LEU A 36 -2.406 5.252 -1.370 1.00 0.00 C ATOM 520 O LEU A 36 -1.449 6.025 -1.356 1.00 0.00 O ATOM 521 CB LEU A 36 -4.845 5.699 -0.725 1.00 0.00 C ATOM 522 CG LEU A 36 -5.934 6.771 -0.809 1.00 0.00 C ATOM 523 CD1 LEU A 36 -7.015 6.538 0.249 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.332 8.174 -0.714 1.00 0.00 C ATOM 0 H LEU A 36 -5.147 4.543 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.682 6.782 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.324 4.720 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.343 5.794 0.238 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.415 6.693 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.777 7.313 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.473 5.561 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.566 6.573 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.128 8.916 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.809 8.282 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.630 8.325 -1.534 1.00 0.00 H new ATOM 536 N ILE A 37 -2.349 3.980 -1.007 1.00 0.00 N ATOM 537 CA ILE A 37 -1.103 3.387 -0.549 1.00 0.00 C ATOM 538 C ILE A 37 -0.094 3.382 -1.699 1.00 0.00 C ATOM 539 O ILE A 37 1.041 3.826 -1.535 1.00 0.00 O ATOM 540 CB ILE A 37 -1.357 2.003 0.052 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.738 2.110 1.530 1.00 0.00 C ATOM 542 CG2 ILE A 37 -0.155 1.082 -0.165 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.031 1.344 1.820 1.00 0.00 C ATOM 0 H ILE A 37 -3.145 3.343 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.670 3.983 0.254 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.204 1.554 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.931 1.715 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.863 3.158 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.362 0.105 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.030 0.970 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.725 1.514 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.279 1.436 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.841 1.758 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.895 0.292 1.570 1.00 0.00 H new ATOM 555 N GLN A 38 -0.544 2.874 -2.837 1.00 0.00 N ATOM 556 CA GLN A 38 0.306 2.805 -4.014 1.00 0.00 C ATOM 557 C GLN A 38 1.074 4.116 -4.192 1.00 0.00 C ATOM 558 O GLN A 38 2.204 4.117 -4.678 1.00 0.00 O ATOM 559 CB GLN A 38 -0.513 2.475 -5.263 1.00 0.00 C ATOM 560 CG GLN A 38 0.169 3.011 -6.523 1.00 0.00 C ATOM 561 CD GLN A 38 -0.451 4.340 -6.959 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.091 5.407 -6.488 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.401 4.218 -7.881 1.00 0.00 N ATOM 0 H GLN A 38 -1.486 2.506 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 38 1.028 2.001 -3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.639 1.395 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.510 2.907 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.234 3.147 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.078 2.282 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.654 3.295 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.876 5.048 -8.236 1.00 0.00 H new ATOM 572 N ASP A 39 0.430 5.201 -3.788 1.00 0.00 N ATOM 573 CA ASP A 39 1.038 6.516 -3.897 1.00 0.00 C ATOM 574 C ASP A 39 1.871 6.793 -2.644 1.00 0.00 C ATOM 575 O ASP A 39 3.096 6.881 -2.715 1.00 0.00 O ATOM 576 CB ASP A 39 -0.028 7.608 -4.007 1.00 0.00 C ATOM 577 CG ASP A 39 0.398 8.851 -4.792 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.794 8.673 -5.964 1.00 0.00 O ATOM 579 OD2 ASP A 39 0.318 9.950 -4.201 1.00 0.00 O ATOM 0 H ASP A 39 -0.507 5.196 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 39 1.660 6.527 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.914 7.184 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.319 7.913 -3.002 1.00 0.00 H new ATOM 584 N GLN A 40 1.173 6.924 -1.525 1.00 0.00 N ATOM 585 CA GLN A 40 1.834 7.189 -0.258 1.00 0.00 C ATOM 586 C GLN A 40 3.032 6.255 -0.078 1.00 0.00 C ATOM 587 O GLN A 40 4.144 6.710 0.186 1.00 0.00 O ATOM 588 CB GLN A 40 0.854 7.055 0.909 1.00 0.00 C ATOM 589 CG GLN A 40 0.091 8.362 1.138 1.00 0.00 C ATOM 590 CD GLN A 40 -0.818 8.258 2.365 1.00 0.00 C ATOM 591 OE1 GLN A 40 -2.112 8.166 2.073 1.00 0.00 O flip ATOM 592 NE2 GLN A 40 -0.373 8.262 3.501 1.00 0.00 N flip ATOM 0 H GLN A 40 0.157 6.852 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 40 2.198 8.216 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.149 6.249 0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.396 6.783 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.798 9.181 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.506 8.598 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.633 8.335 3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.007 8.192 4.297 1.00 0.00 H new ATOM 601 N LEU A 41 2.765 4.966 -0.229 1.00 0.00 N ATOM 602 CA LEU A 41 3.808 3.964 -0.086 1.00 0.00 C ATOM 603 C LEU A 41 4.670 3.948 -1.350 1.00 0.00 C ATOM 604 O LEU A 41 5.806 3.477 -1.325 1.00 0.00 O ATOM 605 CB LEU A 41 3.200 2.604 0.261 1.00 0.00 C ATOM 606 CG LEU A 41 2.324 2.561 1.515 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.133 1.123 2.001 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.890 3.466 2.611 1.00 0.00 C ATOM 0 H LEU A 41 1.842 4.592 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 41 4.466 4.215 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.603 2.268 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.011 1.886 0.384 1.00 0.00 H new ATOM 0 HG LEU A 41 1.338 2.947 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.507 1.121 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.652 0.535 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.104 0.687 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.248 3.417 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.894 3.134 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.931 4.493 2.249 1.00 0.00 H new ATOM 620 N GLN A 42 4.097 4.468 -2.425 1.00 0.00 N ATOM 621 CA GLN A 42 4.798 4.520 -3.697 1.00 0.00 C ATOM 622 C GLN A 42 5.043 3.105 -4.226 1.00 0.00 C ATOM 623 O GLN A 42 6.159 2.769 -4.618 1.00 0.00 O ATOM 624 CB GLN A 42 6.113 5.291 -3.566 1.00 0.00 C ATOM 625 CG GLN A 42 5.854 6.777 -3.311 1.00 0.00 C ATOM 626 CD GLN A 42 5.097 7.410 -4.479 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.954 6.834 -5.545 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.620 8.625 -4.221 1.00 0.00 N ATOM 0 H GLN A 42 3.154 4.857 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 42 4.172 5.052 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.702 4.875 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.701 5.172 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.279 6.897 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.802 7.295 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.775 9.050 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.099 9.131 -4.937 1.00 0.00 H new ATOM 637 N ILE A 43 3.980 2.314 -4.220 1.00 0.00 N ATOM 638 CA ILE A 43 4.065 0.943 -4.694 1.00 0.00 C ATOM 639 C ILE A 43 2.983 0.705 -5.749 1.00 0.00 C ATOM 640 O ILE A 43 1.872 1.220 -5.632 1.00 0.00 O ATOM 641 CB ILE A 43 4.003 -0.035 -3.519 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.119 0.248 -2.511 1.00 0.00 C ATOM 643 CG2 ILE A 43 4.029 -1.484 -4.010 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.822 -0.416 -1.165 1.00 0.00 C ATOM 0 H ILE A 43 3.055 2.596 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 43 5.026 0.766 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 43 3.055 0.113 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.068 -0.120 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.226 1.324 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.984 -2.159 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.172 -1.663 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.949 -1.663 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.630 -0.200 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.884 -0.028 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.739 -1.494 -1.302 1.00 0.00 H new ATOM 656 N PRO A 44 3.355 -0.096 -6.784 1.00 0.00 N ATOM 657 CA PRO A 44 2.429 -0.408 -7.859 1.00 0.00 C ATOM 658 C PRO A 44 1.382 -1.425 -7.403 1.00 0.00 C ATOM 659 O PRO A 44 1.727 -2.499 -6.910 1.00 0.00 O ATOM 660 CB PRO A 44 3.302 -0.922 -8.993 1.00 0.00 C ATOM 661 CG PRO A 44 4.625 -1.316 -8.355 1.00 0.00 C ATOM 662 CD PRO A 44 4.662 -0.723 -6.956 1.00 0.00 C ATOM 0 HA PRO A 44 1.850 0.458 -8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.838 -1.775 -9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.448 -0.154 -9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.720 -2.401 -8.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.461 -0.946 -8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.834 -1.493 -6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.467 0.005 -6.856 1.00 0.00 H new ATOM 670 N ILE A 45 0.123 -1.053 -7.583 1.00 0.00 N ATOM 671 CA ILE A 45 -0.977 -1.920 -7.196 1.00 0.00 C ATOM 672 C ILE A 45 -0.741 -3.320 -7.765 1.00 0.00 C ATOM 673 O ILE A 45 -0.707 -4.299 -7.020 1.00 0.00 O ATOM 674 CB ILE A 45 -2.315 -1.305 -7.611 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.442 0.130 -7.095 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.485 -2.182 -7.160 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.881 0.635 -7.228 1.00 0.00 C ATOM 0 H ILE A 45 -0.160 -0.162 -7.992 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.021 -2.019 -6.111 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.347 -1.260 -8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.133 0.174 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.771 0.782 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.424 -1.722 -7.468 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.397 -3.168 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.468 -2.281 -6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.944 1.657 -6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.179 0.613 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.546 -0.005 -6.648 1.00 0.00 H new ATOM 689 N HIS A 46 -0.584 -3.372 -9.079 1.00 0.00 N ATOM 690 CA HIS A 46 -0.353 -4.636 -9.756 1.00 0.00 C ATOM 691 C HIS A 46 0.567 -5.513 -8.905 1.00 0.00 C ATOM 692 O HIS A 46 0.475 -6.739 -8.946 1.00 0.00 O ATOM 693 CB HIS A 46 0.188 -4.406 -11.169 1.00 0.00 C ATOM 694 CG HIS A 46 0.833 -3.055 -11.366 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.105 -1.880 -11.441 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.144 -2.704 -11.502 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.950 -0.874 -11.615 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.213 -1.387 -11.653 1.00 0.00 N ATOM 0 H HIS A 46 -0.612 -2.558 -9.693 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.298 -5.167 -9.874 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.917 -5.183 -11.399 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.629 -4.515 -11.882 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.984 -3.383 -11.489 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.685 0.169 -11.710 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.070 -0.847 -11.777 1.00 0.00 H new ATOM 706 N ASN A 47 1.434 -4.851 -8.153 1.00 0.00 N ATOM 707 CA ASN A 47 2.370 -5.555 -7.293 1.00 0.00 C ATOM 708 C ASN A 47 1.773 -5.678 -5.890 1.00 0.00 C ATOM 709 O ASN A 47 1.852 -6.737 -5.269 1.00 0.00 O ATOM 710 CB ASN A 47 3.693 -4.794 -7.179 1.00 0.00 C ATOM 711 CG ASN A 47 4.560 -5.012 -8.421 1.00 0.00 C ATOM 712 OD1 ASN A 47 5.818 -4.604 -8.281 1.00 0.00 O flip ATOM 713 ND2 ASN A 47 4.116 -5.518 -9.439 1.00 0.00 N flip ATOM 0 H ASN A 47 1.508 -3.834 -8.121 1.00 0.00 H new ATOM 0 HA ASN A 47 2.555 -6.537 -7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.495 -3.730 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.232 -5.126 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.139 -5.809 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.722 -5.650 -10.249 1.00 0.00 H new ATOM 720 N GLN A 48 1.190 -4.581 -5.431 1.00 0.00 N ATOM 721 CA GLN A 48 0.580 -4.553 -4.113 1.00 0.00 C ATOM 722 C GLN A 48 -0.372 -5.738 -3.943 1.00 0.00 C ATOM 723 O GLN A 48 -1.036 -6.147 -4.894 1.00 0.00 O ATOM 724 CB GLN A 48 -0.146 -3.228 -3.872 1.00 0.00 C ATOM 725 CG GLN A 48 0.790 -2.039 -4.104 1.00 0.00 C ATOM 726 CD GLN A 48 0.428 -0.869 -3.187 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.130 -0.547 -2.243 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.705 -0.254 -3.516 1.00 0.00 N ATOM 0 H GLN A 48 1.127 -3.704 -5.949 1.00 0.00 H new ATOM 0 HA GLN A 48 1.370 -4.637 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.006 -3.154 -4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.530 -3.200 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.821 -2.342 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.730 -1.722 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.245 -0.575 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.034 0.539 -2.965 1.00 0.00 H new ATOM 737 N THR A 49 -0.407 -6.258 -2.724 1.00 0.00 N ATOM 738 CA THR A 49 -1.267 -7.389 -2.418 1.00 0.00 C ATOM 739 C THR A 49 -2.000 -7.157 -1.095 1.00 0.00 C ATOM 740 O THR A 49 -1.409 -7.281 -0.024 1.00 0.00 O ATOM 741 CB THR A 49 -0.405 -8.652 -2.422 1.00 0.00 C ATOM 742 OG1 THR A 49 0.255 -8.619 -3.684 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.242 -9.932 -2.473 1.00 0.00 C ATOM 0 H THR A 49 0.146 -5.917 -1.938 1.00 0.00 H new ATOM 0 HA THR A 49 -2.047 -7.509 -3.170 1.00 0.00 H new ATOM 0 HB THR A 49 0.224 -8.664 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.063 -8.069 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.581 -10.799 -2.474 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.895 -9.974 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.846 -9.936 -3.380 1.00 0.00 H new ATOM 751 N LEU A 50 -3.278 -6.826 -1.214 1.00 0.00 N ATOM 752 CA LEU A 50 -4.098 -6.577 -0.041 1.00 0.00 C ATOM 753 C LEU A 50 -4.699 -7.897 0.446 1.00 0.00 C ATOM 754 O LEU A 50 -5.354 -8.605 -0.318 1.00 0.00 O ATOM 755 CB LEU A 50 -5.143 -5.499 -0.337 1.00 0.00 C ATOM 756 CG LEU A 50 -4.696 -4.053 -0.112 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.931 -3.914 1.205 1.00 0.00 C ATOM 758 CD2 LEU A 50 -3.885 -3.537 -1.303 1.00 0.00 C ATOM 0 H LEU A 50 -3.765 -6.725 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.489 -6.184 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.460 -5.603 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.018 -5.689 0.284 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.586 -3.429 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.625 -2.877 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.574 -4.213 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.048 -4.553 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.580 -2.507 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.000 -4.159 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.497 -3.577 -2.204 1.00 0.00 H new ATOM 770 N SER A 51 -4.454 -8.189 1.715 1.00 0.00 N ATOM 771 CA SER A 51 -4.962 -9.412 2.313 1.00 0.00 C ATOM 772 C SER A 51 -5.019 -9.266 3.835 1.00 0.00 C ATOM 773 O SER A 51 -4.127 -8.671 4.439 1.00 0.00 O ATOM 774 CB SER A 51 -4.099 -10.614 1.927 1.00 0.00 C ATOM 775 OG SER A 51 -4.756 -11.851 2.192 1.00 0.00 O ATOM 0 H SER A 51 -3.910 -7.600 2.346 1.00 0.00 H new ATOM 0 HA SER A 51 -5.969 -9.586 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.850 -10.556 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.159 -10.577 2.478 1.00 0.00 H new ATOM 0 HG SER A 51 -4.092 -12.526 2.445 1.00 0.00 H new ATOM 781 N THR A 52 -6.076 -9.819 4.412 1.00 0.00 N ATOM 782 CA THR A 52 -6.260 -9.758 5.852 1.00 0.00 C ATOM 783 C THR A 52 -5.604 -10.965 6.525 1.00 0.00 C ATOM 784 O THR A 52 -6.106 -11.469 7.528 1.00 0.00 O ATOM 785 CB THR A 52 -7.760 -9.646 6.132 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.356 -10.531 5.188 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.324 -8.272 5.763 1.00 0.00 C ATOM 0 H THR A 52 -6.814 -10.311 3.908 1.00 0.00 H new ATOM 0 HA THR A 52 -5.769 -8.883 6.277 1.00 0.00 H new ATOM 0 HB THR A 52 -7.948 -9.844 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.330 -10.522 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.392 -8.246 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.816 -7.502 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.167 -8.088 4.700 1.00 0.00 H new ATOM 795 N ASN A 53 -4.492 -11.394 5.946 1.00 0.00 N ATOM 796 CA ASN A 53 -3.763 -12.532 6.477 1.00 0.00 C ATOM 797 C ASN A 53 -2.267 -12.212 6.492 1.00 0.00 C ATOM 798 O ASN A 53 -1.770 -11.511 5.613 1.00 0.00 O ATOM 799 CB ASN A 53 -3.972 -13.774 5.609 1.00 0.00 C ATOM 800 CG ASN A 53 -3.901 -15.050 6.451 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.215 -15.124 7.456 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.648 -16.047 5.985 1.00 0.00 N ATOM 0 H ASN A 53 -4.078 -10.973 5.114 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.133 -12.729 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.940 -13.716 5.112 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.213 -13.807 4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.670 -16.941 6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.199 -15.918 5.137 1.00 0.00 H new ATOM 809 N ARG A 54 -1.591 -12.742 7.502 1.00 0.00 N ATOM 810 CA ARG A 54 -0.162 -12.521 7.643 1.00 0.00 C ATOM 811 C ARG A 54 0.614 -13.464 6.721 1.00 0.00 C ATOM 812 O ARG A 54 1.795 -13.245 6.455 1.00 0.00 O ATOM 813 CB ARG A 54 0.290 -12.744 9.087 1.00 0.00 C ATOM 814 CG ARG A 54 0.197 -14.223 9.468 1.00 0.00 C ATOM 815 CD ARG A 54 -0.890 -14.450 10.522 1.00 0.00 C ATOM 816 NE ARG A 54 -0.287 -14.983 11.764 1.00 0.00 N ATOM 817 CZ ARG A 54 0.358 -14.234 12.668 1.00 0.00 C ATOM 818 NH1 ARG A 54 0.488 -12.914 12.474 1.00 0.00 N ATOM 819 NH2 ARG A 54 0.873 -14.804 13.766 1.00 0.00 N ATOM 0 H ARG A 54 -2.007 -13.323 8.230 1.00 0.00 H new ATOM 0 HA ARG A 54 0.043 -11.487 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.316 -12.397 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.328 -12.151 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.021 -14.818 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.158 -14.565 9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.406 -13.513 10.732 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.637 -15.147 10.142 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.368 -15.984 11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.096 -12.480 11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.979 -12.343 13.162 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.774 -15.808 13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.364 -14.233 14.454 1.00 0.00 H new ATOM 833 N ASN A 55 -0.080 -14.493 6.259 1.00 0.00 N ATOM 834 CA ASN A 55 0.529 -15.470 5.373 1.00 0.00 C ATOM 835 C ASN A 55 0.966 -14.778 4.081 1.00 0.00 C ATOM 836 O ASN A 55 1.882 -15.241 3.403 1.00 0.00 O ATOM 837 CB ASN A 55 -0.464 -16.575 5.006 1.00 0.00 C ATOM 838 CG ASN A 55 -0.896 -17.359 6.246 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.124 -17.601 7.160 1.00 0.00 O ATOM 840 ND2 ASN A 55 -2.169 -17.742 6.228 1.00 0.00 N ATOM 0 H ASN A 55 -1.059 -14.672 6.482 1.00 0.00 H new ATOM 0 HA ASN A 55 1.382 -15.909 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.339 -16.137 4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.009 -17.252 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.553 -18.271 7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.761 -17.506 5.432 1.00 0.00 H new ATOM 847 N LEU A 56 0.289 -13.679 3.778 1.00 0.00 N ATOM 848 CA LEU A 56 0.596 -12.919 2.579 1.00 0.00 C ATOM 849 C LEU A 56 2.102 -12.654 2.519 1.00 0.00 C ATOM 850 O LEU A 56 2.726 -12.832 1.475 1.00 0.00 O ATOM 851 CB LEU A 56 -0.254 -11.648 2.518 1.00 0.00 C ATOM 852 CG LEU A 56 -0.689 -11.198 1.121 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.922 -9.687 1.081 1.00 0.00 C ATOM 854 CD2 LEU A 56 0.317 -11.652 0.062 1.00 0.00 C ATOM 0 H LEU A 56 -0.470 -13.298 4.342 1.00 0.00 H new ATOM 0 HA LEU A 56 0.337 -13.492 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.148 -11.803 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.308 -10.837 2.981 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.640 -11.676 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.230 -9.393 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.703 -9.420 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.001 -9.169 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.015 -11.320 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.294 -11.221 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.390 -12.740 0.072 1.00 0.00 H new ATOM 866 N LEU A 57 2.642 -12.232 3.653 1.00 0.00 N ATOM 867 CA LEU A 57 4.062 -11.941 3.743 1.00 0.00 C ATOM 868 C LEU A 57 4.860 -13.178 3.325 1.00 0.00 C ATOM 869 O LEU A 57 5.983 -13.061 2.838 1.00 0.00 O ATOM 870 CB LEU A 57 4.416 -11.425 5.140 1.00 0.00 C ATOM 871 CG LEU A 57 3.534 -10.298 5.682 1.00 0.00 C ATOM 872 CD1 LEU A 57 4.010 -9.845 7.063 1.00 0.00 C ATOM 873 CD2 LEU A 57 3.459 -9.135 4.691 1.00 0.00 C ATOM 0 H LEU A 57 2.121 -12.085 4.517 1.00 0.00 H new ATOM 0 HA LEU A 57 4.330 -11.140 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.371 -12.262 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.449 -11.077 5.126 1.00 0.00 H new ATOM 0 HG LEU A 57 2.522 -10.684 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.366 -9.044 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.968 -10.685 7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.036 -9.483 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.826 -8.348 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.460 -8.741 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.037 -9.486 3.749 1.00 0.00 H new ATOM 885 N LEU A 58 4.247 -14.335 3.530 1.00 0.00 N ATOM 886 CA LEU A 58 4.886 -15.592 3.180 1.00 0.00 C ATOM 887 C LEU A 58 4.885 -15.753 1.659 1.00 0.00 C ATOM 888 O LEU A 58 5.908 -16.092 1.066 1.00 0.00 O ATOM 889 CB LEU A 58 4.223 -16.754 3.922 1.00 0.00 C ATOM 890 CG LEU A 58 4.017 -16.559 5.426 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.367 -17.794 6.054 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.331 -16.189 6.116 1.00 0.00 C ATOM 0 H LEU A 58 3.315 -14.428 3.934 1.00 0.00 H new ATOM 0 HA LEU A 58 5.928 -15.592 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.252 -16.945 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.828 -17.648 3.771 1.00 0.00 H new ATOM 0 HG LEU A 58 3.331 -15.724 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.232 -17.630 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.398 -17.971 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.008 -18.662 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.156 -16.056 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.059 -16.986 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.715 -15.261 5.693 1.00 0.00 H new ATOM 904 N ALA A 59 3.725 -15.503 1.070 1.00 0.00 N ATOM 905 CA ALA A 59 3.577 -15.617 -0.371 1.00 0.00 C ATOM 906 C ALA A 59 4.794 -14.990 -1.055 1.00 0.00 C ATOM 907 O ALA A 59 4.971 -13.773 -1.021 1.00 0.00 O ATOM 908 CB ALA A 59 2.264 -14.961 -0.803 1.00 0.00 C ATOM 0 H ALA A 59 2.878 -15.222 1.565 1.00 0.00 H new ATOM 0 HA ALA A 59 3.533 -16.664 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.153 -15.046 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.429 -15.460 -0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.273 -13.908 -0.521 1.00 0.00 H new ATOM 914 N LYS A 60 5.601 -15.849 -1.660 1.00 0.00 N ATOM 915 CA LYS A 60 6.796 -15.395 -2.350 1.00 0.00 C ATOM 916 C LYS A 60 6.612 -15.586 -3.857 1.00 0.00 C ATOM 917 O LYS A 60 7.272 -14.922 -4.655 1.00 0.00 O ATOM 918 CB LYS A 60 8.037 -16.093 -1.789 1.00 0.00 C ATOM 919 CG LYS A 60 8.574 -15.352 -0.563 1.00 0.00 C ATOM 920 CD LYS A 60 9.503 -14.209 -0.976 1.00 0.00 C ATOM 921 CE LYS A 60 10.969 -14.637 -0.896 1.00 0.00 C ATOM 922 NZ LYS A 60 11.576 -14.175 0.373 1.00 0.00 N ATOM 0 H LYS A 60 5.451 -16.857 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 60 6.953 -14.330 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.790 -17.120 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.810 -16.142 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.742 -14.957 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.112 -16.048 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.268 -13.894 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.336 -13.348 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.041 -15.722 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.521 -14.225 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.571 -14.474 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.524 -13.138 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.060 -14.588 1.176 1.00 0.00 H new ATOM 936 N SER A 61 5.712 -16.495 -4.201 1.00 0.00 N ATOM 937 CA SER A 61 5.433 -16.781 -5.598 1.00 0.00 C ATOM 938 C SER A 61 4.261 -15.925 -6.084 1.00 0.00 C ATOM 939 O SER A 61 3.519 -15.366 -5.277 1.00 0.00 O ATOM 940 CB SER A 61 5.127 -18.265 -5.806 1.00 0.00 C ATOM 941 OG SER A 61 3.727 -18.515 -5.896 1.00 0.00 O ATOM 0 H SER A 61 5.166 -17.043 -3.536 1.00 0.00 H new ATOM 0 HA SER A 61 6.321 -16.535 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.616 -18.612 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.545 -18.840 -4.980 1.00 0.00 H new ATOM 0 HG SER A 61 3.574 -19.474 -6.030 1.00 0.00 H new ATOM 947 N PRO A 62 4.128 -15.846 -7.435 1.00 0.00 N ATOM 948 CA PRO A 62 3.059 -15.068 -8.038 1.00 0.00 C ATOM 949 C PRO A 62 1.717 -15.790 -7.912 1.00 0.00 C ATOM 950 O PRO A 62 0.662 -15.157 -7.933 1.00 0.00 O ATOM 951 CB PRO A 62 3.490 -14.860 -9.480 1.00 0.00 C ATOM 952 CG PRO A 62 4.548 -15.915 -9.756 1.00 0.00 C ATOM 953 CD PRO A 62 4.988 -16.494 -8.421 1.00 0.00 C ATOM 0 HA PRO A 62 2.903 -14.110 -7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.645 -14.968 -10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.891 -13.857 -9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.147 -16.699 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.397 -15.476 -10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.868 -17.577 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.040 -16.286 -8.227 1.00 0.00 H new ATOM 961 N SER A 63 1.799 -17.107 -7.785 1.00 0.00 N ATOM 962 CA SER A 63 0.603 -17.922 -7.657 1.00 0.00 C ATOM 963 C SER A 63 0.101 -17.891 -6.212 1.00 0.00 C ATOM 964 O SER A 63 -1.101 -17.975 -5.967 1.00 0.00 O ATOM 965 CB SER A 63 0.870 -19.364 -8.095 1.00 0.00 C ATOM 966 OG SER A 63 0.046 -19.749 -9.192 1.00 0.00 O ATOM 0 H SER A 63 2.675 -17.629 -7.768 1.00 0.00 H new ATOM 0 HA SER A 63 -0.165 -17.508 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.918 -19.470 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.694 -20.037 -7.256 1.00 0.00 H new ATOM 0 HG SER A 63 0.247 -20.675 -9.443 1.00 0.00 H new ATOM 972 N ASP A 64 1.048 -17.771 -5.293 1.00 0.00 N ATOM 973 CA ASP A 64 0.717 -17.727 -3.878 1.00 0.00 C ATOM 974 C ASP A 64 -0.159 -16.504 -3.601 1.00 0.00 C ATOM 975 O ASP A 64 -1.179 -16.608 -2.922 1.00 0.00 O ATOM 976 CB ASP A 64 1.979 -17.609 -3.021 1.00 0.00 C ATOM 977 CG ASP A 64 1.822 -18.075 -1.572 1.00 0.00 C ATOM 978 OD1 ASP A 64 0.758 -17.771 -0.990 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.769 -18.724 -1.079 1.00 0.00 O ATOM 0 H ASP A 64 2.044 -17.703 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 64 0.194 -18.649 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.774 -18.189 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.303 -16.568 -3.019 1.00 0.00 H new ATOM 984 N PHE A 65 0.270 -15.373 -4.142 1.00 0.00 N ATOM 985 CA PHE A 65 -0.463 -14.132 -3.961 1.00 0.00 C ATOM 986 C PHE A 65 -1.904 -14.269 -4.455 1.00 0.00 C ATOM 987 O PHE A 65 -2.787 -13.533 -4.017 1.00 0.00 O ATOM 988 CB PHE A 65 0.250 -13.066 -4.796 1.00 0.00 C ATOM 989 CG PHE A 65 1.558 -12.566 -4.180 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.626 -12.303 -2.848 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.654 -12.383 -4.966 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.840 -11.839 -2.276 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.868 -11.918 -4.395 1.00 0.00 C ATOM 994 CZ PHE A 65 3.935 -11.656 -3.062 1.00 0.00 C ATOM 0 H PHE A 65 1.116 -15.290 -4.706 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.493 -13.869 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.458 -13.473 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.421 -12.219 -4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.756 -12.447 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.600 -12.592 -6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.894 -11.632 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.738 -11.772 -5.019 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.858 -11.302 -2.627 1.00 0.00 H new ATOM 1004 N LEU A 66 -2.098 -15.217 -5.360 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.417 -15.461 -5.918 1.00 0.00 C ATOM 1006 C LEU A 66 -4.285 -16.167 -4.874 1.00 0.00 C ATOM 1007 O LEU A 66 -5.506 -16.225 -5.014 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.308 -16.220 -7.242 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.455 -15.558 -8.326 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -2.067 -16.566 -9.410 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -3.164 -14.334 -8.909 1.00 0.00 C ATOM 0 H LEU A 66 -1.363 -15.826 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.909 -14.518 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.898 -17.209 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.313 -16.367 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.531 -15.207 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.461 -16.070 -10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.495 -17.379 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.968 -16.968 -9.872 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.537 -13.882 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.114 -14.639 -9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.348 -13.608 -8.117 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.621 -16.685 -3.852 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.317 -17.385 -2.785 1.00 0.00 C ATOM 1025 C ALA A 67 -5.117 -16.377 -1.957 1.00 0.00 C ATOM 1026 O ALA A 67 -6.173 -16.708 -1.420 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.306 -18.162 -1.940 1.00 0.00 C ATOM 0 H ALA A 67 -2.608 -16.634 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.022 -18.108 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.828 -18.687 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.785 -18.884 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.584 -17.469 -1.509 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.582 -15.167 -1.879 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.233 -14.109 -1.125 1.00 0.00 C ATOM 1035 C PHE A 68 -6.081 -13.224 -2.042 1.00 0.00 C ATOM 1036 O PHE A 68 -5.552 -12.358 -2.737 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.125 -13.260 -0.499 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.158 -14.051 0.384 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.497 -14.349 1.667 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -1.960 -14.458 -0.115 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.599 -15.084 2.486 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.062 -15.193 0.704 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.401 -15.490 1.987 1.00 0.00 C ATOM 0 H PHE A 68 -3.706 -14.896 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.891 -14.540 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.560 -12.775 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.580 -12.469 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.449 -14.027 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.691 -14.222 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.868 -15.320 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.110 -15.516 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.718 -16.049 2.610 1.00 0.00 H new ATOM 1053 N THR A 69 -7.382 -13.473 -2.013 1.00 0.00 N ATOM 1054 CA THR A 69 -8.308 -12.710 -2.833 1.00 0.00 C ATOM 1055 C THR A 69 -9.356 -12.023 -1.955 1.00 0.00 C ATOM 1056 O THR A 69 -10.510 -11.880 -2.356 1.00 0.00 O ATOM 1057 CB THR A 69 -8.911 -13.657 -3.871 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.581 -14.645 -3.093 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.845 -14.445 -4.635 1.00 0.00 C ATOM 0 H THR A 69 -7.817 -14.192 -1.435 1.00 0.00 H new ATOM 0 HA THR A 69 -7.797 -11.907 -3.364 1.00 0.00 H new ATOM 0 HB THR A 69 -9.514 -13.085 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.003 -15.300 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.327 -15.102 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.185 -13.752 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.263 -15.043 -3.934 1.00 0.00 H new ATOM 1067 N ASP A 70 -8.917 -11.616 -0.773 1.00 0.00 N ATOM 1068 CA ASP A 70 -9.803 -10.948 0.165 1.00 0.00 C ATOM 1069 C ASP A 70 -10.111 -9.540 -0.346 1.00 0.00 C ATOM 1070 O ASP A 70 -11.236 -9.059 -0.212 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.150 -10.819 1.543 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.197 -11.956 1.917 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -7.221 -12.150 1.160 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -8.466 -12.606 2.950 1.00 0.00 O ATOM 0 H ASP A 70 -7.959 -11.736 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.713 -11.542 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.601 -9.878 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.936 -10.761 2.296 1.00 0.00 H new ATOM 1079 N MET A 71 -9.093 -8.917 -0.921 1.00 0.00 N ATOM 1080 CA MET A 71 -9.241 -7.573 -1.453 1.00 0.00 C ATOM 1081 C MET A 71 -8.661 -7.475 -2.865 1.00 0.00 C ATOM 1082 O MET A 71 -7.939 -6.530 -3.179 1.00 0.00 O ATOM 1083 CB MET A 71 -8.525 -6.579 -0.536 1.00 0.00 C ATOM 1084 CG MET A 71 -9.100 -6.629 0.881 1.00 0.00 C ATOM 1085 SD MET A 71 -7.880 -6.063 2.055 1.00 0.00 S ATOM 1086 CE MET A 71 -7.636 -4.394 1.468 1.00 0.00 C ATOM 0 H MET A 71 -8.162 -9.318 -1.030 1.00 0.00 H new ATOM 0 HA MET A 71 -10.304 -7.336 -1.500 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.459 -6.807 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.625 -5.571 -0.938 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.992 -6.006 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.405 -7.647 1.123 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.747 -3.970 1.935 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.507 -4.404 0.386 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.505 -3.787 1.725 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.997 -8.465 -3.678 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.518 -8.503 -5.050 1.00 0.00 C ATOM 1098 C ALA A 72 -9.440 -7.657 -5.931 1.00 0.00 C ATOM 1099 O ALA A 72 -8.981 -6.998 -6.863 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.432 -9.956 -5.521 1.00 0.00 C ATOM 0 H ALA A 72 -9.595 -9.248 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.516 -8.079 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.073 -9.984 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.742 -10.506 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.419 -10.414 -5.469 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.723 -7.703 -5.604 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.713 -6.950 -6.354 1.00 0.00 C ATOM 1108 C ASP A 73 -11.531 -5.456 -6.075 1.00 0.00 C ATOM 1109 O ASP A 73 -11.640 -5.018 -4.931 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.133 -7.339 -5.938 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.249 -6.578 -6.657 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.906 -5.791 -7.565 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.421 -6.801 -6.281 1.00 0.00 O ATOM 0 H ASP A 73 -11.100 -8.250 -4.830 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.574 -7.172 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.268 -8.406 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.238 -7.179 -4.865 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.249 -4.697 -7.167 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.051 -3.263 -7.051 1.00 0.00 C ATOM 1120 C PRO A 74 -12.384 -2.539 -6.849 1.00 0.00 C ATOM 1121 O PRO A 74 -12.409 -1.381 -6.434 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.344 -2.858 -8.334 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.588 -3.989 -9.319 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.113 -5.182 -8.538 1.00 0.00 C ATOM 0 HA PRO A 74 -10.455 -2.990 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.737 -1.916 -8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.277 -2.712 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.307 -3.684 -10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.665 -4.249 -9.838 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.069 -5.524 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.425 -6.025 -8.593 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.459 -3.252 -7.151 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.792 -2.692 -7.008 1.00 0.00 C ATOM 1134 C ASN A 75 -15.364 -3.089 -5.645 1.00 0.00 C ATOM 1135 O ASN A 75 -16.513 -2.780 -5.336 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.733 -3.227 -8.089 1.00 0.00 C ATOM 1137 CG ASN A 75 -15.215 -2.882 -9.487 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -14.890 -3.744 -10.287 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.156 -1.577 -9.735 1.00 0.00 N ATOM 0 H ASN A 75 -13.434 -4.212 -7.494 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.714 -1.609 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.829 -4.308 -7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.728 -2.804 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.823 -1.244 -10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.444 -0.909 -9.020 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.535 -3.769 -4.867 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.943 -4.212 -3.545 1.00 0.00 C ATOM 1148 C LEU A 76 -14.651 -3.106 -2.529 1.00 0.00 C ATOM 1149 O LEU A 76 -13.616 -2.447 -2.604 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.287 -5.551 -3.202 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.243 -5.915 -1.716 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.925 -7.260 -1.461 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.807 -5.892 -1.188 1.00 0.00 C ATOM 0 H LEU A 76 -13.582 -4.024 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.017 -4.394 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.819 -6.340 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.266 -5.541 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.802 -5.160 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.880 -7.495 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.967 -7.205 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.415 -8.040 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.804 -6.154 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.204 -6.612 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.388 -4.894 -1.316 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.583 -2.937 -1.602 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.439 -1.922 -0.572 1.00 0.00 C ATOM 1167 C ARG A 77 -14.765 -2.515 0.666 1.00 0.00 C ATOM 1168 O ARG A 77 -14.951 -3.691 0.976 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.798 -1.342 -0.176 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.340 -0.419 -1.269 1.00 0.00 C ATOM 1171 CD ARG A 77 -17.968 -1.227 -2.408 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.322 -0.710 -2.707 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.084 -1.143 -3.721 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -19.628 -2.102 -4.539 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.300 -0.617 -3.918 1.00 0.00 N ATOM 0 H ARG A 77 -16.441 -3.486 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.820 -1.122 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.505 -2.152 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.703 -0.788 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.083 0.256 -0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.533 0.201 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.341 -1.165 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.024 -2.280 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.699 0.021 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.702 -2.502 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.207 -2.432 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.647 0.114 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.879 -0.947 -4.690 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.995 -1.674 1.342 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.292 -2.100 2.540 1.00 0.00 C ATOM 1191 C ILE A 78 -14.309 -2.558 3.587 1.00 0.00 C ATOM 1192 O ILE A 78 -13.954 -3.247 4.542 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.357 -0.995 3.034 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.139 0.276 3.371 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.240 -0.729 2.022 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.457 1.058 4.496 1.00 0.00 C ATOM 0 H ILE A 78 -13.843 -0.699 1.082 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.651 -2.954 2.322 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.884 -1.335 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.219 0.904 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.154 0.014 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.589 0.061 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.658 -1.639 1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.676 -0.419 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.033 1.957 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.400 0.436 5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.451 1.339 4.185 1.00 0.00 H new ATOM 1208 N SER A 79 -15.554 -2.158 3.372 1.00 0.00 N ATOM 1209 CA SER A 79 -16.625 -2.519 4.285 1.00 0.00 C ATOM 1210 C SER A 79 -16.736 -4.042 4.385 1.00 0.00 C ATOM 1211 O SER A 79 -17.096 -4.573 5.435 1.00 0.00 O ATOM 1212 CB SER A 79 -17.958 -1.918 3.835 1.00 0.00 C ATOM 1213 OG SER A 79 -18.408 -2.479 2.605 1.00 0.00 O ATOM 0 H SER A 79 -15.845 -1.587 2.578 1.00 0.00 H new ATOM 0 HA SER A 79 -16.388 -2.113 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.710 -2.085 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.850 -0.839 3.723 1.00 0.00 H new ATOM 0 HG SER A 79 -19.262 -2.071 2.352 1.00 0.00 H new ATOM 1219 N SER A 80 -16.420 -4.700 3.280 1.00 0.00 N ATOM 1220 CA SER A 80 -16.480 -6.151 3.231 1.00 0.00 C ATOM 1221 C SER A 80 -15.685 -6.748 4.394 1.00 0.00 C ATOM 1222 O SER A 80 -16.005 -7.833 4.877 1.00 0.00 O ATOM 1223 CB SER A 80 -15.946 -6.679 1.897 1.00 0.00 C ATOM 1224 OG SER A 80 -15.936 -8.104 1.853 1.00 0.00 O ATOM 0 H SER A 80 -16.122 -4.256 2.412 1.00 0.00 H new ATOM 0 HA SER A 80 -17.523 -6.453 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.561 -6.295 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.935 -6.304 1.737 1.00 0.00 H new ATOM 0 HG SER A 80 -15.056 -8.416 1.555 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.665 -6.012 4.810 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.822 -6.455 5.908 1.00 0.00 C ATOM 1232 C LEU A 81 -14.070 -5.564 7.127 1.00 0.00 C ATOM 1233 O LEU A 81 -13.754 -5.945 8.253 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.356 -6.506 5.472 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.109 -6.726 3.978 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.617 -6.631 3.650 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.716 -8.050 3.511 1.00 0.00 C ATOM 0 H LEU A 81 -14.403 -5.112 4.407 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.080 -7.473 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.877 -5.572 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.861 -7.305 6.024 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.611 -5.931 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.468 -6.791 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.246 -5.643 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.072 -7.391 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.526 -8.182 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.264 -8.873 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.791 -8.040 3.689 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.633 -4.395 6.861 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.927 -3.447 7.922 1.00 0.00 C ATOM 1251 C ASN A 82 -13.618 -2.992 8.571 1.00 0.00 C ATOM 1252 O ASN A 82 -13.449 -3.109 9.784 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.795 -4.087 9.008 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.427 -3.020 9.904 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.097 -2.108 9.449 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.177 -3.185 11.200 1.00 0.00 N ATOM 0 H ASN A 82 -14.894 -4.082 5.926 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.461 -2.605 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.577 -4.689 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.189 -4.762 9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.555 -2.525 11.880 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.608 -3.971 11.514 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.726 -2.482 7.734 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.438 -2.009 8.211 1.00 0.00 C ATOM 1265 C LEU A 83 -11.621 -0.659 8.907 1.00 0.00 C ATOM 1266 O LEU A 83 -11.678 0.379 8.250 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.422 -1.979 7.068 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.084 -3.330 6.435 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -10.354 -4.476 7.411 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -10.830 -3.517 5.112 1.00 0.00 C ATOM 0 H LEU A 83 -12.870 -2.386 6.729 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.030 -2.697 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.802 -1.320 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.499 -1.534 7.440 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.018 -3.344 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.105 -5.425 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.742 -4.346 8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.408 -4.475 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.572 -4.485 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.904 -3.474 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.546 -2.725 4.419 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.707 -0.717 10.228 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.883 0.489 11.020 1.00 0.00 C ATOM 1284 C ALA A 84 -10.510 1.071 11.366 1.00 0.00 C ATOM 1285 O ALA A 84 -9.482 0.464 11.069 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.710 0.166 12.266 1.00 0.00 C ATOM 0 H ALA A 84 -11.658 -1.580 10.770 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.429 1.244 10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.842 1.071 12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.686 -0.217 11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.193 -0.586 12.861 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.539 2.240 11.988 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.310 2.910 12.378 1.00 0.00 C ATOM 1294 C HIS A 85 -8.572 2.065 13.418 1.00 0.00 C ATOM 1295 O HIS A 85 -8.877 2.132 14.607 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.597 4.332 12.865 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.364 5.188 13.023 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.300 6.499 12.583 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.149 4.908 13.577 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.096 6.976 12.864 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.384 5.988 13.480 1.00 0.00 N ATOM 0 H HIS A 85 -11.394 2.740 12.232 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.656 3.010 11.512 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.275 4.816 12.162 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.115 4.279 13.822 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.859 3.967 14.020 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.741 7.972 12.644 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.422 6.067 13.811 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.614 1.289 12.931 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.830 0.432 13.804 1.00 0.00 C ATOM 1311 C GLY A 86 -6.719 -0.981 13.228 1.00 0.00 C ATOM 1312 O GLY A 86 -5.819 -1.736 13.594 1.00 0.00 O ATOM 0 H GLY A 86 -7.363 1.236 11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.834 0.854 13.936 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.292 0.391 14.790 1.00 0.00 H new ATOM 1316 N SER A 87 -7.647 -1.298 12.336 1.00 0.00 N ATOM 1317 CA SER A 87 -7.664 -2.607 11.707 1.00 0.00 C ATOM 1318 C SER A 87 -6.254 -2.987 11.250 1.00 0.00 C ATOM 1319 O SER A 87 -5.371 -2.134 11.176 1.00 0.00 O ATOM 1320 CB SER A 87 -8.631 -2.635 10.522 1.00 0.00 C ATOM 1321 OG SER A 87 -9.972 -2.364 10.920 1.00 0.00 O ATOM 0 H SER A 87 -8.392 -0.670 12.034 1.00 0.00 H new ATOM 0 HA SER A 87 -8.009 -3.335 12.441 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.317 -1.900 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.586 -3.612 10.041 1.00 0.00 H new ATOM 0 HG SER A 87 -10.468 -3.206 10.992 1.00 0.00 H new ATOM 1327 N MET A 88 -6.087 -4.268 10.956 1.00 0.00 N ATOM 1328 CA MET A 88 -4.799 -4.771 10.508 1.00 0.00 C ATOM 1329 C MET A 88 -4.878 -5.271 9.065 1.00 0.00 C ATOM 1330 O MET A 88 -5.898 -5.817 8.647 1.00 0.00 O ATOM 1331 CB MET A 88 -4.353 -5.914 11.422 1.00 0.00 C ATOM 1332 CG MET A 88 -2.947 -6.393 11.053 1.00 0.00 C ATOM 1333 SD MET A 88 -1.752 -5.710 12.191 1.00 0.00 S ATOM 1334 CE MET A 88 -0.599 -4.990 11.034 1.00 0.00 C ATOM 0 H MET A 88 -6.822 -4.973 11.019 1.00 0.00 H new ATOM 0 HA MET A 88 -4.076 -3.956 10.551 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.367 -5.581 12.460 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.056 -6.743 11.343 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.906 -7.482 11.080 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.706 -6.090 10.034 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.419 -5.145 11.391 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.718 -5.464 10.059 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.793 -3.921 10.944 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.786 -5.068 8.341 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.719 -5.492 6.953 1.00 0.00 C ATOM 1346 C VAL A 89 -2.260 -5.757 6.576 1.00 0.00 C ATOM 1347 O VAL A 89 -1.345 -5.260 7.232 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.389 -4.450 6.055 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -3.686 -3.096 6.167 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -4.433 -4.927 4.602 1.00 0.00 C ATOM 0 H VAL A 89 -2.941 -4.616 8.690 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.266 -6.424 6.811 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.416 -4.323 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.182 -2.374 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.730 -2.748 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.644 -3.201 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.914 -4.168 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.418 -5.096 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.999 -5.857 4.541 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.088 -6.539 5.521 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.755 -6.876 5.048 1.00 0.00 C ATOM 1362 C TYR A 90 -0.590 -6.516 3.570 1.00 0.00 C ATOM 1363 O TYR A 90 -1.439 -6.854 2.747 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.622 -8.392 5.209 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.610 -8.864 6.665 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.582 -8.936 7.357 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -1.791 -9.218 7.285 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.593 -9.381 8.727 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -1.780 -9.662 8.655 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.588 -9.722 9.308 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.578 -10.142 10.601 1.00 0.00 O ATOM 0 H TYR A 90 -2.849 -6.949 4.980 1.00 0.00 H new ATOM 0 HA TYR A 90 0.002 -6.327 5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.447 -8.876 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.298 -8.719 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.506 -8.659 6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.723 -9.162 6.743 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.519 -9.442 9.280 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.697 -9.941 9.153 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.493 -10.351 10.884 1.00 0.00 H new ATOM 1381 N LEU A 91 0.508 -5.835 3.279 1.00 0.00 N ATOM 1382 CA LEU A 91 0.796 -5.425 1.915 1.00 0.00 C ATOM 1383 C LEU A 91 2.016 -6.193 1.403 1.00 0.00 C ATOM 1384 O LEU A 91 3.131 -5.980 1.877 1.00 0.00 O ATOM 1385 CB LEU A 91 0.946 -3.905 1.833 1.00 0.00 C ATOM 1386 CG LEU A 91 1.367 -3.345 0.472 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.229 -3.460 -0.543 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.875 -1.908 0.604 1.00 0.00 C ATOM 0 H LEU A 91 1.210 -5.556 3.965 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.037 -5.675 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.004 -3.450 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.680 -3.592 2.575 1.00 0.00 H new ATOM 0 HG LEU A 91 2.195 -3.946 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.554 -3.055 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.045 -4.508 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.635 -2.899 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.168 -1.534 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.084 -1.278 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.736 -1.886 1.272 1.00 0.00 H new ATOM 1400 N ALA A 92 1.763 -7.070 0.443 1.00 0.00 N ATOM 1401 CA ALA A 92 2.828 -7.870 -0.139 1.00 0.00 C ATOM 1402 C ALA A 92 2.978 -7.513 -1.619 1.00 0.00 C ATOM 1403 O ALA A 92 2.037 -7.664 -2.396 1.00 0.00 O ATOM 1404 CB ALA A 92 2.525 -9.355 0.075 1.00 0.00 C ATOM 0 H ALA A 92 0.837 -7.244 0.053 1.00 0.00 H new ATOM 0 HA ALA A 92 3.779 -7.657 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.323 -9.956 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.457 -9.562 1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.579 -9.606 -0.404 1.00 0.00 H new ATOM 1410 N TYR A 93 4.169 -7.046 -1.964 1.00 0.00 N ATOM 1411 CA TYR A 93 4.454 -6.666 -3.337 1.00 0.00 C ATOM 1412 C TYR A 93 5.783 -7.262 -3.806 1.00 0.00 C ATOM 1413 O TYR A 93 6.498 -7.887 -3.024 1.00 0.00 O ATOM 1414 CB TYR A 93 4.565 -5.141 -3.339 1.00 0.00 C ATOM 1415 CG TYR A 93 5.630 -4.593 -2.386 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.411 -4.608 -1.024 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.809 -4.084 -2.890 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.413 -4.092 -0.128 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.812 -3.568 -1.994 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.564 -3.598 -0.657 1.00 0.00 C ATOM 1421 OH TYR A 93 8.511 -3.111 0.190 1.00 0.00 O ATOM 0 H TYR A 93 4.947 -6.922 -1.317 1.00 0.00 H new ATOM 0 HA TYR A 93 3.673 -7.029 -4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.790 -4.805 -4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.598 -4.716 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.488 -5.007 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.980 -4.072 -3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.254 -4.097 0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.739 -3.167 -2.375 1.00 0.00 H new ATOM 0 HH TYR A 93 8.324 -3.419 1.101 1.00 0.00 H new ATOM 1431 N GLU A 94 6.075 -7.048 -5.081 1.00 0.00 N ATOM 1432 CA GLU A 94 7.305 -7.556 -5.663 1.00 0.00 C ATOM 1433 C GLU A 94 8.204 -6.397 -6.099 1.00 0.00 C ATOM 1434 O GLU A 94 7.725 -5.413 -6.660 1.00 0.00 O ATOM 1435 CB GLU A 94 7.011 -8.493 -6.836 1.00 0.00 C ATOM 1436 CG GLU A 94 6.844 -7.707 -8.137 1.00 0.00 C ATOM 1437 CD GLU A 94 6.235 -8.583 -9.234 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.203 -9.224 -8.940 1.00 0.00 O ATOM 1439 OE2 GLU A 94 6.815 -8.593 -10.341 1.00 0.00 O ATOM 0 H GLU A 94 5.480 -6.529 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 94 7.832 -8.133 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.823 -9.213 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.104 -9.063 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.206 -6.840 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.813 -7.329 -8.464 1.00 0.00 H new ATOM 1446 N GLY A 95 9.491 -6.553 -5.824 1.00 0.00 N ATOM 1447 CA GLY A 95 10.461 -5.532 -6.181 1.00 0.00 C ATOM 1448 C GLY A 95 10.495 -4.418 -5.133 1.00 0.00 C ATOM 1449 O GLY A 95 9.850 -4.521 -4.091 1.00 0.00 O ATOM 0 H GLY A 95 9.884 -7.371 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.450 -5.981 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.211 -5.112 -7.155 1.00 0.00 H new ATOM 1453 N GLU A 96 11.255 -3.378 -5.446 1.00 0.00 N ATOM 1454 CA GLU A 96 11.382 -2.246 -4.544 1.00 0.00 C ATOM 1455 C GLU A 96 10.301 -1.205 -4.842 1.00 0.00 C ATOM 1456 O GLU A 96 9.453 -1.417 -5.709 1.00 0.00 O ATOM 1457 CB GLU A 96 12.778 -1.627 -4.634 1.00 0.00 C ATOM 1458 CG GLU A 96 13.692 -2.173 -3.535 1.00 0.00 C ATOM 1459 CD GLU A 96 14.454 -1.041 -2.842 1.00 0.00 C ATOM 1460 OE1 GLU A 96 15.512 -0.655 -3.383 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.960 -0.588 -1.787 1.00 0.00 O ATOM 0 H GLU A 96 11.789 -3.296 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 96 11.244 -2.603 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.212 -1.839 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.705 -0.543 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.099 -2.719 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.399 -2.882 -3.965 1.00 0.00 H new ATOM 1468 N ARG A 97 10.365 -0.104 -4.108 1.00 0.00 N ATOM 1469 CA ARG A 97 9.402 0.969 -4.283 1.00 0.00 C ATOM 1470 C ARG A 97 9.837 1.892 -5.424 1.00 0.00 C ATOM 1471 O ARG A 97 11.003 1.891 -5.817 1.00 0.00 O ATOM 1472 CB ARG A 97 9.253 1.790 -3.001 1.00 0.00 C ATOM 1473 CG ARG A 97 8.945 0.887 -1.805 1.00 0.00 C ATOM 1474 CD ARG A 97 8.035 1.598 -0.801 1.00 0.00 C ATOM 1475 NE ARG A 97 8.532 1.379 0.576 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.501 2.106 1.150 1.00 0.00 C ATOM 1477 NH1 ARG A 97 10.083 3.102 0.469 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.888 1.835 2.404 1.00 0.00 N ATOM 0 H ARG A 97 11.069 0.068 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 97 8.441 0.515 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.170 2.348 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.455 2.522 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.466 -0.029 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.874 0.596 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.003 2.665 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.016 1.223 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 97 8.111 0.628 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.789 3.307 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.820 3.655 0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.445 1.076 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.625 2.388 2.841 1.00 0.00 H new ATOM 1492 N THR A 98 8.877 2.657 -5.922 1.00 0.00 N ATOM 1493 CA THR A 98 9.147 3.583 -7.010 1.00 0.00 C ATOM 1494 C THR A 98 9.795 4.861 -6.474 1.00 0.00 C ATOM 1495 O THR A 98 10.215 4.911 -5.319 1.00 0.00 O ATOM 1496 CB THR A 98 7.834 3.833 -7.754 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.850 3.861 -6.724 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.423 2.648 -8.630 1.00 0.00 C ATOM 0 H THR A 98 7.912 2.655 -5.593 1.00 0.00 H new ATOM 0 HA THR A 98 9.864 3.165 -7.717 1.00 0.00 H new ATOM 0 HB THR A 98 7.932 4.725 -8.373 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.967 4.020 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.485 2.877 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.198 2.458 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.292 1.763 -8.007 1.00 0.00 H new