USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 35 TYR OH : rot -62:sc= -0.137 USER MOD Set 2.2: A 63 GLN : amide:sc= 0.121 X(o=-0.016,f=-0.26) USER MOD Set 3.1: A 17 ASN : amide:sc= -0.954 K(o=-0.95,f=-5.5!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 ASN : amide:sc= 0.893 K(o=2,f=-1.7) USER MOD Set 4.2: A 24 SER OG : rot 107:sc= 1.12 USER MOD Single : A 7 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.7!) USER MOD Single : A 8 GLN : amide:sc= 0.024 K(o=0.024,f=-0.59) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 120:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 20 SER OG : rot -78:sc= 1.25 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.567 K(o=-0.57,f=-4.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.698) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -170:sc= -0.317 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -154:sc= 1.63 USER MOD Single : A 59 THR OG1 : rot 93:sc= 0.702 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.21 K(o=1.2,f=-0.7) USER MOD Single : A 69 TYR OH : rot -164:sc= 1.23 USER MOD Single : A 70 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.087) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 13.325 7.646 0.465 1.00 0.00 N ATOM 96 CA ASN A 7 12.297 7.160 1.376 1.00 0.00 C ATOM 97 C ASN A 7 10.933 7.254 0.703 1.00 0.00 C ATOM 98 O ASN A 7 10.223 8.254 0.828 1.00 0.00 O ATOM 99 CB ASN A 7 12.308 7.954 2.687 1.00 0.00 C ATOM 100 CG ASN A 7 11.272 7.460 3.680 1.00 0.00 C ATOM 101 OD1 ASN A 7 10.901 6.288 3.679 1.00 0.00 O ATOM 102 ND2 ASN A 7 10.803 8.352 4.541 1.00 0.00 N ATOM 0 HA ASN A 7 12.505 6.118 1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.298 7.888 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.125 9.007 2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.109 8.075 5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.136 9.315 4.509 1.00 0.00 H new ATOM 109 N GLN A 8 10.597 6.218 -0.044 1.00 0.00 N ATOM 110 CA GLN A 8 9.373 6.198 -0.823 1.00 0.00 C ATOM 111 C GLN A 8 8.636 4.883 -0.614 1.00 0.00 C ATOM 112 O GLN A 8 9.006 3.854 -1.179 1.00 0.00 O ATOM 113 CB GLN A 8 9.706 6.390 -2.305 1.00 0.00 C ATOM 114 CG GLN A 8 8.490 6.503 -3.210 1.00 0.00 C ATOM 115 CD GLN A 8 8.870 6.593 -4.677 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.942 7.092 -5.026 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.001 6.100 -5.545 1.00 0.00 N ATOM 0 H GLN A 8 11.161 5.372 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 8 8.726 7.011 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.311 7.290 -2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.317 5.552 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.844 5.638 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.913 7.385 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.125 5.695 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.208 6.125 -6.544 1.00 0.00 H new ATOM 126 N VAL A 9 7.608 4.913 0.216 1.00 0.00 N ATOM 127 CA VAL A 9 6.819 3.726 0.490 1.00 0.00 C ATOM 128 C VAL A 9 5.692 3.596 -0.529 1.00 0.00 C ATOM 129 O VAL A 9 4.831 4.463 -0.636 1.00 0.00 O ATOM 130 CB VAL A 9 6.239 3.746 1.919 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.383 2.517 2.175 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.358 3.840 2.944 1.00 0.00 C ATOM 0 H VAL A 9 7.300 5.749 0.713 1.00 0.00 H new ATOM 0 HA VAL A 9 7.480 2.863 0.410 1.00 0.00 H new ATOM 0 HB VAL A 9 5.604 4.626 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.986 2.555 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.558 2.493 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.990 1.620 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.932 3.853 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.019 2.979 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.926 4.755 2.779 1.00 0.00 H new ATOM 142 N THR A 10 5.712 2.514 -1.280 1.00 0.00 N ATOM 143 CA THR A 10 4.741 2.292 -2.331 1.00 0.00 C ATOM 144 C THR A 10 3.553 1.488 -1.807 1.00 0.00 C ATOM 145 O THR A 10 3.651 0.277 -1.604 1.00 0.00 O ATOM 146 CB THR A 10 5.398 1.553 -3.511 1.00 0.00 C ATOM 147 OG1 THR A 10 6.629 2.207 -3.856 1.00 0.00 O ATOM 148 CG2 THR A 10 4.482 1.524 -4.723 1.00 0.00 C ATOM 0 H THR A 10 6.399 1.767 -1.180 1.00 0.00 H new ATOM 0 HA THR A 10 4.378 3.261 -2.674 1.00 0.00 H new ATOM 0 HB THR A 10 5.591 0.524 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.050 1.737 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.975 0.995 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.555 1.012 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.258 2.544 -5.035 1.00 0.00 H new ATOM 156 N VAL A 11 2.448 2.171 -1.556 1.00 0.00 N ATOM 157 CA VAL A 11 1.240 1.521 -1.076 1.00 0.00 C ATOM 158 C VAL A 11 0.393 1.057 -2.255 1.00 0.00 C ATOM 159 O VAL A 11 -0.196 1.868 -2.970 1.00 0.00 O ATOM 160 CB VAL A 11 0.405 2.460 -0.177 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.858 1.768 0.308 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.233 2.950 1.004 1.00 0.00 C ATOM 0 H VAL A 11 2.363 3.180 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 11 1.543 0.662 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 11 0.111 3.323 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.428 2.451 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.464 1.475 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.589 0.882 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.627 3.610 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.563 2.096 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.103 3.495 0.637 1.00 0.00 H new ATOM 172 N ASN A 12 0.348 -0.249 -2.458 1.00 0.00 N ATOM 173 CA ASN A 12 -0.363 -0.827 -3.585 1.00 0.00 C ATOM 174 C ASN A 12 -1.708 -1.381 -3.149 1.00 0.00 C ATOM 175 O ASN A 12 -1.782 -2.196 -2.229 1.00 0.00 O ATOM 176 CB ASN A 12 0.463 -1.944 -4.231 1.00 0.00 C ATOM 177 CG ASN A 12 1.697 -1.434 -4.950 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.709 -0.327 -5.489 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.745 -2.244 -4.970 1.00 0.00 N ATOM 0 H ASN A 12 0.800 -0.933 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.526 -0.034 -4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.766 -2.654 -3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.163 -2.488 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.602 -1.958 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.695 -3.154 -4.511 1.00 0.00 H new ATOM 186 N TYR A 13 -2.763 -0.933 -3.808 1.00 0.00 N ATOM 187 CA TYR A 13 -4.098 -1.453 -3.563 1.00 0.00 C ATOM 188 C TYR A 13 -4.388 -2.569 -4.560 1.00 0.00 C ATOM 189 O TYR A 13 -4.857 -2.321 -5.673 1.00 0.00 O ATOM 190 CB TYR A 13 -5.139 -0.335 -3.672 1.00 0.00 C ATOM 191 CG TYR A 13 -4.927 0.789 -2.678 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.351 0.665 -1.362 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.309 1.977 -3.055 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.165 1.685 -0.450 1.00 0.00 C ATOM 195 CE2 TYR A 13 -4.119 3.001 -2.148 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.551 2.851 -0.848 1.00 0.00 C ATOM 197 OH TYR A 13 -4.368 3.872 0.057 1.00 0.00 O ATOM 0 H TYR A 13 -2.720 -0.205 -4.522 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.153 -1.855 -2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.116 0.075 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.132 -0.759 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.836 -0.247 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.972 2.101 -4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.500 1.569 0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.634 3.915 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.411 4.063 0.146 1.00 0.00 H new ATOM 207 N LEU A 14 -4.088 -3.793 -4.154 1.00 0.00 N ATOM 208 CA LEU A 14 -4.053 -4.922 -5.068 1.00 0.00 C ATOM 209 C LEU A 14 -5.314 -5.770 -5.000 1.00 0.00 C ATOM 210 O LEU A 14 -6.013 -5.804 -3.986 1.00 0.00 O ATOM 211 CB LEU A 14 -2.847 -5.810 -4.748 1.00 0.00 C ATOM 212 CG LEU A 14 -1.488 -5.114 -4.794 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.376 -6.094 -4.458 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.260 -4.498 -6.160 1.00 0.00 C ATOM 0 H LEU A 14 -3.863 -4.030 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.978 -4.511 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.985 -6.235 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.834 -6.642 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.479 -4.318 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.585 -5.581 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.534 -6.495 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.380 -6.910 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.288 -4.005 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.286 -5.279 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.042 -3.766 -6.364 1.00 0.00 H new ATOM 226 N ASP A 15 -5.589 -6.447 -6.102 1.00 0.00 N ATOM 227 CA ASP A 15 -6.603 -7.489 -6.146 1.00 0.00 C ATOM 228 C ASP A 15 -5.943 -8.816 -5.749 1.00 0.00 C ATOM 229 O ASP A 15 -4.817 -8.821 -5.248 1.00 0.00 O ATOM 230 CB ASP A 15 -7.205 -7.556 -7.562 1.00 0.00 C ATOM 231 CG ASP A 15 -8.447 -8.426 -7.660 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.551 -7.942 -7.352 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.320 -9.603 -8.062 1.00 0.00 O ATOM 0 H ASP A 15 -5.116 -6.290 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.415 -7.277 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.453 -6.546 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.450 -7.937 -8.250 1.00 0.00 H new ATOM 238 N GLU A 16 -6.604 -9.931 -5.999 1.00 0.00 N ATOM 239 CA GLU A 16 -6.100 -11.232 -5.580 1.00 0.00 C ATOM 240 C GLU A 16 -5.093 -11.747 -6.597 1.00 0.00 C ATOM 241 O GLU A 16 -4.183 -12.502 -6.263 1.00 0.00 O ATOM 242 CB GLU A 16 -7.246 -12.232 -5.405 1.00 0.00 C ATOM 243 CG GLU A 16 -6.781 -13.616 -4.981 1.00 0.00 C ATOM 244 CD GLU A 16 -7.924 -14.579 -4.753 1.00 0.00 C ATOM 245 OE1 GLU A 16 -8.689 -14.835 -5.705 1.00 0.00 O ATOM 246 OE2 GLU A 16 -8.059 -15.087 -3.619 1.00 0.00 O ATOM 0 H GLU A 16 -7.496 -9.965 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.605 -11.119 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.943 -11.847 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.794 -12.313 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.119 -14.021 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.196 -13.532 -4.065 1.00 0.00 H new ATOM 253 N ASN A 17 -5.252 -11.312 -7.840 1.00 0.00 N ATOM 254 CA ASN A 17 -4.274 -11.602 -8.884 1.00 0.00 C ATOM 255 C ASN A 17 -3.124 -10.609 -8.767 1.00 0.00 C ATOM 256 O ASN A 17 -2.219 -10.566 -9.603 1.00 0.00 O ATOM 257 CB ASN A 17 -4.917 -11.527 -10.274 1.00 0.00 C ATOM 258 CG ASN A 17 -5.319 -10.118 -10.672 1.00 0.00 C ATOM 259 OD1 ASN A 17 -5.595 -9.269 -9.824 1.00 0.00 O ATOM 260 ND2 ASN A 17 -5.378 -9.868 -11.969 1.00 0.00 N ATOM 0 H ASN A 17 -6.049 -10.757 -8.152 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.896 -12.616 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.218 -11.921 -11.012 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.798 -12.169 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.660 -8.945 -12.298 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.141 -10.598 -12.640 1.00 0.00 H new ATOM 267 N ASN A 18 -3.207 -9.804 -7.711 1.00 0.00 N ATOM 268 CA ASN A 18 -2.176 -8.851 -7.325 1.00 0.00 C ATOM 269 C ASN A 18 -2.040 -7.706 -8.322 1.00 0.00 C ATOM 270 O ASN A 18 -0.967 -7.119 -8.464 1.00 0.00 O ATOM 271 CB ASN A 18 -0.817 -9.542 -7.136 1.00 0.00 C ATOM 272 CG ASN A 18 -0.711 -10.315 -5.834 1.00 0.00 C ATOM 273 OD1 ASN A 18 -1.704 -10.793 -5.288 1.00 0.00 O ATOM 274 ND2 ASN A 18 0.506 -10.455 -5.333 1.00 0.00 N ATOM 0 H ASN A 18 -4.013 -9.798 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.494 -8.428 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.645 -10.223 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.028 -8.791 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.644 -10.974 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.306 -10.044 -5.814 1.00 0.00 H new ATOM 281 N THR A 19 -3.120 -7.380 -9.007 1.00 0.00 N ATOM 282 CA THR A 19 -3.128 -6.212 -9.866 1.00 0.00 C ATOM 283 C THR A 19 -3.763 -5.037 -9.133 1.00 0.00 C ATOM 284 O THR A 19 -4.827 -5.175 -8.531 1.00 0.00 O ATOM 285 CB THR A 19 -3.873 -6.494 -11.184 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.221 -7.571 -11.870 1.00 0.00 O ATOM 287 CG2 THR A 19 -3.901 -5.263 -12.080 1.00 0.00 C ATOM 0 H THR A 19 -3.996 -7.903 -8.986 1.00 0.00 H new ATOM 0 HA THR A 19 -2.097 -5.962 -10.117 1.00 0.00 H new ATOM 0 HB THR A 19 -4.903 -6.763 -10.948 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.692 -7.757 -12.709 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.434 -5.496 -13.002 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.408 -4.448 -11.563 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.880 -4.962 -12.317 1.00 0.00 H new ATOM 295 N SER A 20 -3.083 -3.899 -9.149 1.00 0.00 N ATOM 296 CA SER A 20 -3.550 -2.718 -8.442 1.00 0.00 C ATOM 297 C SER A 20 -4.847 -2.206 -9.067 1.00 0.00 C ATOM 298 O SER A 20 -4.858 -1.740 -10.208 1.00 0.00 O ATOM 299 CB SER A 20 -2.468 -1.631 -8.468 1.00 0.00 C ATOM 300 OG SER A 20 -2.636 -0.705 -7.405 1.00 0.00 O ATOM 0 H SER A 20 -2.202 -3.770 -9.647 1.00 0.00 H new ATOM 0 HA SER A 20 -3.752 -2.981 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.484 -2.094 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.504 -1.103 -9.421 1.00 0.00 H new ATOM 0 HG SER A 20 -3.352 -0.075 -7.630 1.00 0.00 H new ATOM 306 N ILE A 21 -5.940 -2.315 -8.320 1.00 0.00 N ATOM 307 CA ILE A 21 -7.246 -1.884 -8.804 1.00 0.00 C ATOM 308 C ILE A 21 -7.428 -0.386 -8.598 1.00 0.00 C ATOM 309 O ILE A 21 -8.272 0.248 -9.234 1.00 0.00 O ATOM 310 CB ILE A 21 -8.391 -2.649 -8.107 1.00 0.00 C ATOM 311 CG1 ILE A 21 -8.257 -2.552 -6.582 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.401 -4.104 -8.557 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.352 -3.274 -5.826 1.00 0.00 C ATOM 0 H ILE A 21 -5.947 -2.699 -7.375 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.286 -2.107 -9.870 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.339 -2.192 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.292 -2.962 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.260 -1.501 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.213 -4.633 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.546 -4.150 -9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.451 -4.571 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.190 -3.161 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.320 -2.849 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.336 -4.333 -6.085 1.00 0.00 H new ATOM 325 N ALA A 22 -6.625 0.169 -7.705 1.00 0.00 N ATOM 326 CA ALA A 22 -6.626 1.597 -7.446 1.00 0.00 C ATOM 327 C ALA A 22 -5.217 2.145 -7.641 1.00 0.00 C ATOM 328 O ALA A 22 -4.254 1.379 -7.601 1.00 0.00 O ATOM 329 CB ALA A 22 -7.131 1.873 -6.035 1.00 0.00 C ATOM 0 H ALA A 22 -5.957 -0.357 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.296 2.097 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.128 2.947 -5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.146 1.490 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.481 1.379 -5.313 1.00 0.00 H new ATOM 335 N PRO A 23 -5.071 3.459 -7.881 1.00 0.00 N ATOM 336 CA PRO A 23 -3.755 4.082 -8.061 1.00 0.00 C ATOM 337 C PRO A 23 -2.853 3.874 -6.848 1.00 0.00 C ATOM 338 O PRO A 23 -3.307 3.963 -5.704 1.00 0.00 O ATOM 339 CB PRO A 23 -4.076 5.569 -8.239 1.00 0.00 C ATOM 340 CG PRO A 23 -5.500 5.606 -8.671 1.00 0.00 C ATOM 341 CD PRO A 23 -6.162 4.440 -7.999 1.00 0.00 C ATOM 0 HA PRO A 23 -3.213 3.651 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.931 6.118 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.425 6.027 -8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.972 6.544 -8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.582 5.530 -9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.566 4.713 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.991 4.052 -8.590 1.00 0.00 H new ATOM 349 N SER A 24 -1.587 3.588 -7.103 1.00 0.00 N ATOM 350 CA SER A 24 -0.630 3.351 -6.038 1.00 0.00 C ATOM 351 C SER A 24 -0.384 4.632 -5.249 1.00 0.00 C ATOM 352 O SER A 24 -0.189 5.706 -5.825 1.00 0.00 O ATOM 353 CB SER A 24 0.682 2.820 -6.617 1.00 0.00 C ATOM 354 OG SER A 24 1.594 2.465 -5.595 1.00 0.00 O ATOM 0 H SER A 24 -1.198 3.514 -8.043 1.00 0.00 H new ATOM 0 HA SER A 24 -1.040 2.603 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.479 1.951 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.131 3.578 -7.259 1.00 0.00 H new ATOM 0 HG SER A 24 1.653 1.489 -5.534 1.00 0.00 H new ATOM 360 N LEU A 25 -0.410 4.512 -3.935 1.00 0.00 N ATOM 361 CA LEU A 25 -0.217 5.650 -3.057 1.00 0.00 C ATOM 362 C LEU A 25 1.233 5.708 -2.596 1.00 0.00 C ATOM 363 O LEU A 25 1.717 4.802 -1.921 1.00 0.00 O ATOM 364 CB LEU A 25 -1.168 5.548 -1.861 1.00 0.00 C ATOM 365 CG LEU A 25 -1.074 6.682 -0.839 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.343 8.027 -1.494 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.053 6.437 0.297 1.00 0.00 C ATOM 0 H LEU A 25 -0.564 3.629 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.441 6.569 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.191 5.506 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.977 4.605 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.062 6.702 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.270 8.817 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.608 8.202 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.344 8.028 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.981 7.248 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.067 6.394 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.814 5.492 0.786 1.00 0.00 H new ATOM 379 N TYR A 26 1.927 6.768 -2.973 1.00 0.00 N ATOM 380 CA TYR A 26 3.336 6.899 -2.650 1.00 0.00 C ATOM 381 C TYR A 26 3.505 7.636 -1.330 1.00 0.00 C ATOM 382 O TYR A 26 3.383 8.859 -1.261 1.00 0.00 O ATOM 383 CB TYR A 26 4.077 7.611 -3.783 1.00 0.00 C ATOM 384 CG TYR A 26 3.864 6.950 -5.127 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.465 5.733 -5.430 1.00 0.00 C ATOM 386 CD2 TYR A 26 3.043 7.531 -6.084 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.254 5.118 -6.651 1.00 0.00 C ATOM 388 CE2 TYR A 26 2.826 6.920 -7.305 1.00 0.00 C ATOM 389 CZ TYR A 26 3.433 5.716 -7.584 1.00 0.00 C ATOM 390 OH TYR A 26 3.213 5.107 -8.801 1.00 0.00 O ATOM 0 H TYR A 26 1.538 7.549 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 26 3.770 5.905 -2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.743 8.647 -3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.143 7.631 -3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.106 5.261 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.566 8.476 -5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.730 4.174 -6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.183 7.385 -8.037 1.00 0.00 H new ATOM 0 HH TYR A 26 2.610 5.661 -9.340 1.00 0.00 H new ATOM 400 N LEU A 27 3.763 6.869 -0.287 1.00 0.00 N ATOM 401 CA LEU A 27 3.877 7.393 1.061 1.00 0.00 C ATOM 402 C LEU A 27 5.319 7.794 1.356 1.00 0.00 C ATOM 403 O LEU A 27 6.207 6.946 1.438 1.00 0.00 O ATOM 404 CB LEU A 27 3.399 6.333 2.058 1.00 0.00 C ATOM 405 CG LEU A 27 3.415 6.745 3.530 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.395 7.839 3.796 1.00 0.00 C ATOM 407 CD2 LEU A 27 3.144 5.541 4.413 1.00 0.00 C ATOM 0 H LEU A 27 3.900 5.860 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 27 3.253 8.282 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.382 6.045 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.022 5.446 1.942 1.00 0.00 H new ATOM 0 HG LEU A 27 4.403 7.139 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.425 8.116 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.629 8.711 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.398 7.476 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.158 5.847 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.167 5.124 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.912 4.786 4.245 1.00 0.00 H new ATOM 419 N SER A 28 5.548 9.087 1.495 1.00 0.00 N ATOM 420 CA SER A 28 6.873 9.601 1.783 1.00 0.00 C ATOM 421 C SER A 28 6.847 10.469 3.036 1.00 0.00 C ATOM 422 O SER A 28 5.987 11.340 3.184 1.00 0.00 O ATOM 423 CB SER A 28 7.400 10.388 0.579 1.00 0.00 C ATOM 424 OG SER A 28 6.381 11.198 0.011 1.00 0.00 O ATOM 0 H SER A 28 4.827 9.804 1.412 1.00 0.00 H new ATOM 0 HA SER A 28 7.547 8.765 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.237 11.015 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.780 9.697 -0.173 1.00 0.00 H new ATOM 0 HG SER A 28 6.744 11.691 -0.754 1.00 0.00 H new ATOM 430 N GLY A 29 7.779 10.215 3.943 1.00 0.00 N ATOM 431 CA GLY A 29 7.825 10.958 5.185 1.00 0.00 C ATOM 432 C GLY A 29 9.230 11.070 5.730 1.00 0.00 C ATOM 433 O GLY A 29 10.194 11.153 4.967 1.00 0.00 O ATOM 0 H GLY A 29 8.505 9.506 3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.418 11.957 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.189 10.469 5.923 1.00 0.00 H new ATOM 437 N LEU A 30 9.354 11.056 7.048 1.00 0.00 N ATOM 438 CA LEU A 30 10.651 11.183 7.695 1.00 0.00 C ATOM 439 C LEU A 30 11.254 9.810 7.957 1.00 0.00 C ATOM 440 O LEU A 30 10.533 8.828 8.115 1.00 0.00 O ATOM 441 CB LEU A 30 10.515 11.956 9.009 1.00 0.00 C ATOM 442 CG LEU A 30 9.986 13.385 8.871 1.00 0.00 C ATOM 443 CD1 LEU A 30 9.793 14.015 10.242 1.00 0.00 C ATOM 444 CD2 LEU A 30 10.934 14.225 8.028 1.00 0.00 C ATOM 0 H LEU A 30 8.570 10.958 7.693 1.00 0.00 H new ATOM 0 HA LEU A 30 11.315 11.734 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.850 11.402 9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.491 11.992 9.494 1.00 0.00 H new ATOM 0 HG LEU A 30 9.019 13.348 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.416 15.031 10.126 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.077 13.426 10.816 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.747 14.040 10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.542 15.238 7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.914 14.255 8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.026 13.784 7.035 1.00 0.00 H new ATOM 456 N PHE A 31 12.576 9.743 7.996 1.00 0.00 N ATOM 457 CA PHE A 31 13.268 8.488 8.256 1.00 0.00 C ATOM 458 C PHE A 31 13.017 8.034 9.691 1.00 0.00 C ATOM 459 O PHE A 31 13.076 8.844 10.620 1.00 0.00 O ATOM 460 CB PHE A 31 14.770 8.651 7.998 1.00 0.00 C ATOM 461 CG PHE A 31 15.562 7.385 8.178 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.479 6.363 7.245 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.387 7.221 9.277 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.207 5.200 7.408 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.117 6.060 9.444 1.00 0.00 C ATOM 466 CZ PHE A 31 17.027 5.049 8.508 1.00 0.00 C ATOM 0 H PHE A 31 13.192 10.543 7.851 1.00 0.00 H new ATOM 0 HA PHE A 31 12.881 7.725 7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.916 9.018 6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.163 9.413 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.839 6.477 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.461 8.009 10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.134 4.410 6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.757 5.943 10.306 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.598 4.141 8.636 1.00 0.00 H new ATOM 476 N ASN A 32 12.710 6.745 9.854 1.00 0.00 N ATOM 477 CA ASN A 32 12.457 6.151 11.171 1.00 0.00 C ATOM 478 C ASN A 32 11.199 6.751 11.810 1.00 0.00 C ATOM 479 O ASN A 32 11.020 6.721 13.029 1.00 0.00 O ATOM 480 CB ASN A 32 13.675 6.335 12.090 1.00 0.00 C ATOM 481 CG ASN A 32 13.591 5.504 13.358 1.00 0.00 C ATOM 482 OD1 ASN A 32 13.007 4.420 13.372 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.172 6.008 14.434 1.00 0.00 N ATOM 0 H ASN A 32 12.630 6.085 9.081 1.00 0.00 H new ATOM 0 HA ASN A 32 12.288 5.083 11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.579 6.065 11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.766 7.388 12.357 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.146 5.495 15.315 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.646 6.910 14.382 1.00 0.00 H new ATOM 490 N GLU A 33 10.319 7.285 10.974 1.00 0.00 N ATOM 491 CA GLU A 33 9.050 7.816 11.443 1.00 0.00 C ATOM 492 C GLU A 33 7.966 6.750 11.351 1.00 0.00 C ATOM 493 O GLU A 33 7.826 6.086 10.321 1.00 0.00 O ATOM 494 CB GLU A 33 8.645 9.047 10.623 1.00 0.00 C ATOM 495 CG GLU A 33 7.219 9.511 10.882 1.00 0.00 C ATOM 496 CD GLU A 33 6.816 10.699 10.034 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.187 10.747 8.840 1.00 0.00 O ATOM 498 OE2 GLU A 33 6.101 11.581 10.551 1.00 0.00 O ATOM 0 H GLU A 33 10.462 7.361 9.967 1.00 0.00 H new ATOM 0 HA GLU A 33 9.167 8.114 12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.330 9.864 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.757 8.820 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.534 8.685 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.114 9.772 11.935 1.00 0.00 H new ATOM 505 N ALA A 34 7.228 6.564 12.437 1.00 0.00 N ATOM 506 CA ALA A 34 6.078 5.676 12.433 1.00 0.00 C ATOM 507 C ALA A 34 4.996 6.247 11.530 1.00 0.00 C ATOM 508 O ALA A 34 4.454 7.324 11.793 1.00 0.00 O ATOM 509 CB ALA A 34 5.550 5.473 13.844 1.00 0.00 C ATOM 0 H ALA A 34 7.407 7.018 13.333 1.00 0.00 H new ATOM 0 HA ALA A 34 6.383 4.703 12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.689 4.805 13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.331 5.034 14.465 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.251 6.434 14.262 1.00 0.00 H new ATOM 515 N TYR A 35 4.697 5.535 10.458 1.00 0.00 N ATOM 516 CA TYR A 35 3.778 6.035 9.453 1.00 0.00 C ATOM 517 C TYR A 35 2.366 5.520 9.692 1.00 0.00 C ATOM 518 O TYR A 35 2.157 4.566 10.439 1.00 0.00 O ATOM 519 CB TYR A 35 4.256 5.646 8.050 1.00 0.00 C ATOM 520 CG TYR A 35 4.288 4.155 7.785 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.412 3.393 8.080 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.194 3.515 7.221 1.00 0.00 C ATOM 523 CE1 TYR A 35 5.440 2.034 7.823 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.215 2.161 6.959 1.00 0.00 C ATOM 525 CZ TYR A 35 4.338 1.424 7.261 1.00 0.00 C ATOM 526 OH TYR A 35 4.359 0.072 6.996 1.00 0.00 O ATOM 0 H TYR A 35 5.077 4.609 10.262 1.00 0.00 H new ATOM 0 HA TYR A 35 3.758 7.122 9.529 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.605 6.118 7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.256 6.051 7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.277 3.869 8.517 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.310 4.087 6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.320 1.454 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.354 1.681 6.519 1.00 0.00 H new ATOM 0 HH TYR A 35 5.068 -0.123 6.348 1.00 0.00 H new ATOM 536 N ASN A 36 1.404 6.166 9.052 1.00 0.00 N ATOM 537 CA ASN A 36 0.012 5.757 9.133 1.00 0.00 C ATOM 538 C ASN A 36 -0.513 5.462 7.738 1.00 0.00 C ATOM 539 O ASN A 36 -0.094 6.094 6.767 1.00 0.00 O ATOM 540 CB ASN A 36 -0.838 6.843 9.803 1.00 0.00 C ATOM 541 CG ASN A 36 -0.576 6.956 11.294 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.198 6.261 12.099 1.00 0.00 O ATOM 543 ND2 ASN A 36 0.337 7.839 11.675 1.00 0.00 N ATOM 0 H ASN A 36 1.565 6.984 8.465 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.054 4.855 9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.633 7.803 9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.893 6.625 9.639 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.546 7.962 12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.831 8.396 10.977 1.00 0.00 H new ATOM 550 N VAL A 37 -1.415 4.500 7.638 1.00 0.00 N ATOM 551 CA VAL A 37 -1.930 4.076 6.346 1.00 0.00 C ATOM 552 C VAL A 37 -3.417 4.381 6.227 1.00 0.00 C ATOM 553 O VAL A 37 -4.231 3.846 6.985 1.00 0.00 O ATOM 554 CB VAL A 37 -1.707 2.565 6.111 1.00 0.00 C ATOM 555 CG1 VAL A 37 -2.196 2.155 4.729 1.00 0.00 C ATOM 556 CG2 VAL A 37 -0.243 2.201 6.290 1.00 0.00 C ATOM 0 H VAL A 37 -1.806 3.998 8.435 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.380 4.635 5.589 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.287 2.019 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.029 1.087 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.261 2.371 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.649 2.713 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.110 1.133 6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.361 2.760 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.072 2.449 7.304 1.00 0.00 H new ATOM 566 N PRO A 38 -3.786 5.262 5.286 1.00 0.00 N ATOM 567 CA PRO A 38 -5.187 5.563 4.995 1.00 0.00 C ATOM 568 C PRO A 38 -5.903 4.345 4.417 1.00 0.00 C ATOM 569 O PRO A 38 -5.631 3.928 3.287 1.00 0.00 O ATOM 570 CB PRO A 38 -5.120 6.690 3.954 1.00 0.00 C ATOM 571 CG PRO A 38 -3.720 7.202 4.013 1.00 0.00 C ATOM 572 CD PRO A 38 -2.872 6.040 4.438 1.00 0.00 C ATOM 0 HA PRO A 38 -5.743 5.844 5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.361 6.319 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.837 7.479 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.402 7.582 3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.636 8.026 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.522 5.461 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.988 6.364 4.987 1.00 0.00 H new ATOM 580 N MET A 39 -6.799 3.766 5.199 1.00 0.00 N ATOM 581 CA MET A 39 -7.510 2.568 4.782 1.00 0.00 C ATOM 582 C MET A 39 -8.668 2.919 3.864 1.00 0.00 C ATOM 583 O MET A 39 -9.772 3.222 4.323 1.00 0.00 O ATOM 584 CB MET A 39 -8.026 1.786 5.991 1.00 0.00 C ATOM 585 CG MET A 39 -6.928 1.203 6.863 1.00 0.00 C ATOM 586 SD MET A 39 -7.580 0.265 8.256 1.00 0.00 S ATOM 587 CE MET A 39 -6.064 -0.301 9.024 1.00 0.00 C ATOM 0 H MET A 39 -7.052 4.106 6.127 1.00 0.00 H new ATOM 0 HA MET A 39 -6.805 1.941 4.236 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.647 2.444 6.598 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.666 0.976 5.641 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.293 0.555 6.258 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.297 2.010 7.236 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.303 -0.898 9.904 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.502 -0.909 8.315 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.464 0.559 9.321 1.00 0.00 H new ATOM 597 N LYS A 40 -8.404 2.915 2.570 1.00 0.00 N ATOM 598 CA LYS A 40 -9.444 3.133 1.583 1.00 0.00 C ATOM 599 C LYS A 40 -10.232 1.844 1.387 1.00 0.00 C ATOM 600 O LYS A 40 -9.667 0.751 1.448 1.00 0.00 O ATOM 601 CB LYS A 40 -8.840 3.587 0.249 1.00 0.00 C ATOM 602 CG LYS A 40 -7.992 4.846 0.352 1.00 0.00 C ATOM 603 CD LYS A 40 -7.471 5.277 -1.011 1.00 0.00 C ATOM 604 CE LYS A 40 -6.559 6.491 -0.904 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.102 6.965 -2.239 1.00 0.00 N ATOM 0 H LYS A 40 -7.475 2.763 2.178 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.110 3.919 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.228 2.781 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.647 3.761 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.584 5.651 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.153 4.667 1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.927 4.452 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.311 5.509 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.087 7.297 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.692 6.241 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.484 7.793 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.576 6.205 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.927 7.229 -2.815 1.00 0.00 H new ATOM 619 N LYS A 41 -11.532 1.960 1.186 1.00 0.00 N ATOM 620 CA LYS A 41 -12.355 0.795 0.925 1.00 0.00 C ATOM 621 C LYS A 41 -12.891 0.848 -0.491 1.00 0.00 C ATOM 622 O LYS A 41 -13.708 1.708 -0.826 1.00 0.00 O ATOM 623 CB LYS A 41 -13.515 0.694 1.920 1.00 0.00 C ATOM 624 CG LYS A 41 -14.374 -0.549 1.723 1.00 0.00 C ATOM 625 CD LYS A 41 -15.446 -0.662 2.792 1.00 0.00 C ATOM 626 CE LYS A 41 -16.255 -1.940 2.640 1.00 0.00 C ATOM 627 NZ LYS A 41 -15.397 -3.154 2.710 1.00 0.00 N ATOM 0 H LYS A 41 -12.038 2.845 1.198 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.732 -0.091 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.115 0.693 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.143 1.580 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.842 -0.516 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.742 -1.436 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.981 -0.640 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.111 0.200 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.012 -1.985 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.783 -1.924 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.978 -3.975 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.960 -3.324 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.653 -3.012 3.422 1.00 0.00 H new ATOM 641 N ILE A 42 -12.425 -0.071 -1.320 1.00 0.00 N ATOM 642 CA ILE A 42 -12.887 -0.145 -2.691 1.00 0.00 C ATOM 643 C ILE A 42 -14.316 -0.670 -2.704 1.00 0.00 C ATOM 644 O ILE A 42 -14.665 -1.548 -1.918 1.00 0.00 O ATOM 645 CB ILE A 42 -11.980 -1.058 -3.550 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.520 -0.605 -3.451 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.433 -1.057 -5.006 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.286 0.818 -3.912 1.00 0.00 C ATOM 0 H ILE A 42 -11.730 -0.773 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.849 0.855 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.060 -2.075 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.190 -0.700 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.901 -1.276 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.781 -1.706 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.458 -1.422 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.385 -0.042 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.229 1.064 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.583 0.916 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.877 1.500 -3.301 1.00 0.00 H new ATOM 660 N LYS A 43 -15.131 -0.097 -3.576 1.00 0.00 N ATOM 661 CA LYS A 43 -16.556 -0.396 -3.639 1.00 0.00 C ATOM 662 C LYS A 43 -16.826 -1.895 -3.781 1.00 0.00 C ATOM 663 O LYS A 43 -16.634 -2.481 -4.848 1.00 0.00 O ATOM 664 CB LYS A 43 -17.177 0.376 -4.803 1.00 0.00 C ATOM 665 CG LYS A 43 -18.656 0.116 -5.008 1.00 0.00 C ATOM 666 CD LYS A 43 -19.233 1.089 -6.021 1.00 0.00 C ATOM 667 CE LYS A 43 -20.703 0.827 -6.288 1.00 0.00 C ATOM 668 NZ LYS A 43 -21.282 1.857 -7.187 1.00 0.00 N ATOM 0 H LYS A 43 -14.823 0.591 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.013 -0.084 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.028 1.443 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.645 0.119 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.807 -0.907 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.183 0.215 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.107 2.109 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.676 1.013 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.823 -0.159 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.249 0.816 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.288 1.650 -7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.189 2.794 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.775 1.849 -8.095 1.00 0.00 H new ATOM 682 N GLY A 44 -17.256 -2.504 -2.682 1.00 0.00 N ATOM 683 CA GLY A 44 -17.630 -3.902 -2.694 1.00 0.00 C ATOM 684 C GLY A 44 -16.473 -4.820 -2.363 1.00 0.00 C ATOM 685 O GLY A 44 -16.585 -6.043 -2.478 1.00 0.00 O ATOM 0 H GLY A 44 -17.352 -2.047 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.434 -4.065 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.023 -4.160 -3.677 1.00 0.00 H new ATOM 689 N TYR A 45 -15.364 -4.234 -1.942 1.00 0.00 N ATOM 690 CA TYR A 45 -14.180 -5.005 -1.609 1.00 0.00 C ATOM 691 C TYR A 45 -13.812 -4.837 -0.142 1.00 0.00 C ATOM 692 O TYR A 45 -13.920 -3.746 0.424 1.00 0.00 O ATOM 693 CB TYR A 45 -13.004 -4.600 -2.502 1.00 0.00 C ATOM 694 CG TYR A 45 -13.189 -4.983 -3.952 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.968 -4.209 -4.803 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.589 -6.124 -4.472 1.00 0.00 C ATOM 697 CE1 TYR A 45 -14.146 -4.558 -6.125 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.761 -6.480 -5.794 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.540 -5.694 -6.619 1.00 0.00 C ATOM 700 OH TYR A 45 -13.715 -6.047 -7.937 1.00 0.00 O ATOM 0 H TYR A 45 -15.260 -3.226 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.405 -6.057 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.861 -3.521 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.094 -5.066 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.443 -3.317 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.978 -6.742 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.757 -3.945 -6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.288 -7.370 -6.182 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.220 -6.872 -8.123 1.00 0.00 H new ATOM 710 N THR A 46 -13.408 -5.933 0.464 1.00 0.00 N ATOM 711 CA THR A 46 -12.967 -5.947 1.843 1.00 0.00 C ATOM 712 C THR A 46 -11.474 -6.261 1.880 1.00 0.00 C ATOM 713 O THR A 46 -10.933 -6.775 0.904 1.00 0.00 O ATOM 714 CB THR A 46 -13.753 -7.014 2.633 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.146 -6.913 2.313 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.572 -6.843 4.132 1.00 0.00 C ATOM 0 H THR A 46 -13.376 -6.846 0.011 1.00 0.00 H new ATOM 0 HA THR A 46 -13.147 -4.974 2.299 1.00 0.00 H new ATOM 0 HB THR A 46 -13.368 -7.994 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.664 -7.477 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.140 -7.611 4.657 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.516 -6.936 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.931 -5.858 4.432 1.00 0.00 H new ATOM 724 N LEU A 47 -10.798 -5.936 2.974 1.00 0.00 N ATOM 725 CA LEU A 47 -9.382 -6.248 3.087 1.00 0.00 C ATOM 726 C LEU A 47 -9.193 -7.753 3.224 1.00 0.00 C ATOM 727 O LEU A 47 -9.699 -8.366 4.168 1.00 0.00 O ATOM 728 CB LEU A 47 -8.753 -5.541 4.289 1.00 0.00 C ATOM 729 CG LEU A 47 -7.233 -5.685 4.393 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.549 -4.962 3.247 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.731 -5.157 5.725 1.00 0.00 C ATOM 0 H LEU A 47 -11.201 -5.464 3.784 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.885 -5.895 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.001 -4.481 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.205 -5.933 5.201 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.988 -6.745 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.469 -5.076 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.880 -5.387 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.806 -3.903 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.648 -5.270 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.991 -4.103 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.193 -5.719 6.537 1.00 0.00 H new ATOM 743 N LEU A 48 -8.486 -8.348 2.278 1.00 0.00 N ATOM 744 CA LEU A 48 -8.202 -9.771 2.331 1.00 0.00 C ATOM 745 C LEU A 48 -7.205 -10.048 3.444 1.00 0.00 C ATOM 746 O LEU A 48 -7.465 -10.849 4.341 1.00 0.00 O ATOM 747 CB LEU A 48 -7.653 -10.268 0.988 1.00 0.00 C ATOM 748 CG LEU A 48 -7.201 -11.733 0.965 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.353 -12.657 1.326 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.636 -12.095 -0.400 1.00 0.00 C ATOM 0 H LEU A 48 -8.099 -7.868 1.465 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.129 -10.307 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.421 -10.130 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.808 -9.640 0.705 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.415 -11.860 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.010 -13.692 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.713 -12.416 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.162 -12.527 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.320 -13.138 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.402 -11.949 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.780 -11.457 -0.620 1.00 0.00 H new ATOM 762 N LYS A 49 -6.087 -9.339 3.397 1.00 0.00 N ATOM 763 CA LYS A 49 -5.015 -9.509 4.363 1.00 0.00 C ATOM 764 C LYS A 49 -3.880 -8.555 4.019 1.00 0.00 C ATOM 765 O LYS A 49 -3.845 -7.998 2.920 1.00 0.00 O ATOM 766 CB LYS A 49 -4.501 -10.956 4.348 1.00 0.00 C ATOM 767 CG LYS A 49 -3.592 -11.302 5.517 1.00 0.00 C ATOM 768 CD LYS A 49 -2.952 -12.664 5.331 1.00 0.00 C ATOM 769 CE LYS A 49 -2.012 -13.005 6.475 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.207 -14.216 6.176 1.00 0.00 N ATOM 0 H LYS A 49 -5.899 -8.630 2.688 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.395 -9.289 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.355 -11.634 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.961 -11.129 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.816 -10.543 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.167 -11.291 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.730 -13.425 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.402 -12.682 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.347 -12.162 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.589 -13.166 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.576 -14.420 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.842 -15.025 6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.638 -14.052 5.321 1.00 0.00 H new ATOM 784 N TYR A 50 -2.969 -8.355 4.954 1.00 0.00 N ATOM 785 CA TYR A 50 -1.795 -7.545 4.701 1.00 0.00 C ATOM 786 C TYR A 50 -0.615 -8.410 4.302 1.00 0.00 C ATOM 787 O TYR A 50 -0.204 -9.303 5.045 1.00 0.00 O ATOM 788 CB TYR A 50 -1.437 -6.705 5.926 1.00 0.00 C ATOM 789 CG TYR A 50 -2.152 -5.381 5.958 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.010 -4.490 4.907 1.00 0.00 C ATOM 791 CD2 TYR A 50 -2.964 -5.024 7.024 1.00 0.00 C ATOM 792 CE1 TYR A 50 -2.658 -3.270 4.915 1.00 0.00 C ATOM 793 CE2 TYR A 50 -3.617 -3.805 7.041 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.461 -2.933 5.985 1.00 0.00 C ATOM 795 OH TYR A 50 -4.107 -1.717 5.998 1.00 0.00 O ATOM 0 H TYR A 50 -3.021 -8.743 5.896 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.029 -6.874 3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.681 -7.266 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.361 -6.531 5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.383 -4.753 4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.088 -5.707 7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.537 -2.585 4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.246 -3.538 7.877 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.301 -1.440 5.078 1.00 0.00 H new ATOM 805 N ASP A 51 -0.084 -8.151 3.117 1.00 0.00 N ATOM 806 CA ASP A 51 1.113 -8.839 2.659 1.00 0.00 C ATOM 807 C ASP A 51 2.344 -8.136 3.215 1.00 0.00 C ATOM 808 O ASP A 51 3.416 -8.724 3.349 1.00 0.00 O ATOM 809 CB ASP A 51 1.158 -8.883 1.128 1.00 0.00 C ATOM 810 CG ASP A 51 2.436 -9.501 0.589 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.518 -10.746 0.506 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.367 -8.741 0.238 1.00 0.00 O ATOM 0 H ASP A 51 -0.462 -7.471 2.457 1.00 0.00 H new ATOM 0 HA ASP A 51 1.096 -9.867 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.303 -9.451 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.058 -7.870 0.738 1.00 0.00 H new ATOM 817 N SER A 52 2.162 -6.872 3.557 1.00 0.00 N ATOM 818 CA SER A 52 3.214 -6.076 4.156 1.00 0.00 C ATOM 819 C SER A 52 2.765 -5.591 5.530 1.00 0.00 C ATOM 820 O SER A 52 1.572 -5.374 5.752 1.00 0.00 O ATOM 821 CB SER A 52 3.536 -4.890 3.250 1.00 0.00 C ATOM 822 OG SER A 52 3.628 -5.304 1.895 1.00 0.00 O ATOM 0 H SER A 52 1.283 -6.372 3.427 1.00 0.00 H new ATOM 0 HA SER A 52 4.113 -6.681 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.763 -4.128 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.476 -4.433 3.561 1.00 0.00 H new ATOM 0 HG SER A 52 4.214 -4.690 1.404 1.00 0.00 H new ATOM 828 N GLU A 53 3.709 -5.432 6.446 1.00 0.00 N ATOM 829 CA GLU A 53 3.384 -5.008 7.801 1.00 0.00 C ATOM 830 C GLU A 53 3.263 -3.495 7.876 1.00 0.00 C ATOM 831 O GLU A 53 4.192 -2.771 7.522 1.00 0.00 O ATOM 832 CB GLU A 53 4.441 -5.497 8.792 1.00 0.00 C ATOM 833 CG GLU A 53 4.501 -7.011 8.918 1.00 0.00 C ATOM 834 CD GLU A 53 3.159 -7.617 9.279 1.00 0.00 C ATOM 835 OE1 GLU A 53 2.549 -7.178 10.276 1.00 0.00 O ATOM 836 OE2 GLU A 53 2.707 -8.533 8.561 1.00 0.00 O ATOM 0 H GLU A 53 4.703 -5.589 6.277 1.00 0.00 H new ATOM 0 HA GLU A 53 2.424 -5.450 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.418 -5.127 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.235 -5.067 9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.847 -7.437 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.234 -7.280 9.678 1.00 0.00 H new ATOM 843 N ILE A 54 2.117 -3.023 8.345 1.00 0.00 N ATOM 844 CA ILE A 54 1.873 -1.591 8.449 1.00 0.00 C ATOM 845 C ILE A 54 2.464 -1.036 9.736 1.00 0.00 C ATOM 846 O ILE A 54 2.686 0.167 9.866 1.00 0.00 O ATOM 847 CB ILE A 54 0.367 -1.254 8.391 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.391 -1.959 9.522 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.203 -1.640 7.035 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.857 -1.588 9.600 1.00 0.00 C ATOM 0 H ILE A 54 1.343 -3.609 8.659 1.00 0.00 H new ATOM 0 HA ILE A 54 2.360 -1.126 7.592 1.00 0.00 H new ATOM 0 HB ILE A 54 0.245 -0.179 8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.305 -3.037 9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.086 -1.718 10.472 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.265 -1.398 7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.317 -1.089 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.070 -2.710 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.325 -2.127 10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.952 -0.515 9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.350 -1.855 8.665 1.00 0.00 H new ATOM 862 N LEU A 55 2.720 -1.920 10.688 1.00 0.00 N ATOM 863 CA LEU A 55 3.332 -1.521 11.941 1.00 0.00 C ATOM 864 C LEU A 55 4.839 -1.400 11.765 1.00 0.00 C ATOM 865 O LEU A 55 5.546 -2.402 11.656 1.00 0.00 O ATOM 866 CB LEU A 55 3.011 -2.523 13.054 1.00 0.00 C ATOM 867 CG LEU A 55 3.534 -2.139 14.439 1.00 0.00 C ATOM 868 CD1 LEU A 55 2.866 -0.864 14.931 1.00 0.00 C ATOM 869 CD2 LEU A 55 3.315 -3.273 15.426 1.00 0.00 C ATOM 0 H LEU A 55 2.513 -2.916 10.615 1.00 0.00 H new ATOM 0 HA LEU A 55 2.923 -0.552 12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.929 -2.645 13.112 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.427 -3.493 12.781 1.00 0.00 H new ATOM 0 HG LEU A 55 4.605 -1.955 14.361 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.252 -0.608 15.918 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.078 -0.051 14.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.789 -1.018 14.992 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.694 -2.981 16.406 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.250 -3.491 15.499 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.845 -4.162 15.083 1.00 0.00 H new ATOM 881 N GLY A 56 5.323 -0.171 11.707 1.00 0.00 N ATOM 882 CA GLY A 56 6.740 0.056 11.553 1.00 0.00 C ATOM 883 C GLY A 56 7.052 1.499 11.237 1.00 0.00 C ATOM 884 O GLY A 56 6.233 2.387 11.481 1.00 0.00 O ATOM 0 H GLY A 56 4.757 0.675 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.255 -0.234 12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.124 -0.581 10.756 1.00 0.00 H new ATOM 888 N VAL A 57 8.233 1.732 10.686 1.00 0.00 N ATOM 889 CA VAL A 57 8.684 3.077 10.373 1.00 0.00 C ATOM 890 C VAL A 57 9.184 3.160 8.937 1.00 0.00 C ATOM 891 O VAL A 57 9.398 2.132 8.290 1.00 0.00 O ATOM 892 CB VAL A 57 9.815 3.528 11.324 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.314 3.607 12.757 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.011 2.589 11.229 1.00 0.00 C ATOM 0 H VAL A 57 8.901 1.000 10.445 1.00 0.00 H new ATOM 0 HA VAL A 57 7.827 3.739 10.501 1.00 0.00 H new ATOM 0 HB VAL A 57 10.136 4.523 11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.127 3.926 13.409 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.496 4.325 12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.959 2.626 13.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.794 2.927 11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.704 1.580 11.504 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.392 2.587 10.208 1.00 0.00 H new ATOM 904 N PHE A 58 9.351 4.382 8.446 1.00 0.00 N ATOM 905 CA PHE A 58 9.923 4.607 7.124 1.00 0.00 C ATOM 906 C PHE A 58 11.352 4.083 7.060 1.00 0.00 C ATOM 907 O PHE A 58 12.189 4.420 7.906 1.00 0.00 O ATOM 908 CB PHE A 58 9.906 6.094 6.775 1.00 0.00 C ATOM 909 CG PHE A 58 8.543 6.640 6.457 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.975 6.425 5.214 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.838 7.378 7.392 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.729 6.933 4.907 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.592 7.892 7.091 1.00 0.00 C ATOM 914 CZ PHE A 58 6.036 7.668 5.848 1.00 0.00 C ATOM 0 H PHE A 58 9.098 5.235 8.945 1.00 0.00 H new ATOM 0 HA PHE A 58 9.314 4.066 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.324 6.656 7.611 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.560 6.262 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.514 5.852 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.267 7.554 8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.297 6.756 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.053 8.469 7.828 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.061 8.067 5.612 1.00 0.00 H new ATOM 924 N THR A 59 11.622 3.262 6.056 1.00 0.00 N ATOM 925 CA THR A 59 12.922 2.634 5.896 1.00 0.00 C ATOM 926 C THR A 59 13.850 3.469 5.013 1.00 0.00 C ATOM 927 O THR A 59 13.470 4.528 4.516 1.00 0.00 O ATOM 928 CB THR A 59 12.758 1.228 5.293 1.00 0.00 C ATOM 929 OG1 THR A 59 11.770 1.254 4.251 1.00 0.00 O ATOM 930 CG2 THR A 59 12.349 0.226 6.361 1.00 0.00 C ATOM 0 H THR A 59 10.947 3.014 5.332 1.00 0.00 H new ATOM 0 HA THR A 59 13.376 2.560 6.884 1.00 0.00 H new ATOM 0 HB THR A 59 13.717 0.920 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.210 1.397 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.239 -0.761 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.114 0.188 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.400 0.531 6.802 1.00 0.00 H new ATOM 938 N GLU A 60 15.073 2.983 4.830 1.00 0.00 N ATOM 939 CA GLU A 60 16.055 3.653 3.986 1.00 0.00 C ATOM 940 C GLU A 60 15.796 3.329 2.520 1.00 0.00 C ATOM 941 O GLU A 60 16.027 4.151 1.628 1.00 0.00 O ATOM 942 CB GLU A 60 17.467 3.213 4.382 1.00 0.00 C ATOM 943 CG GLU A 60 18.542 3.661 3.407 1.00 0.00 C ATOM 944 CD GLU A 60 19.919 3.164 3.783 1.00 0.00 C ATOM 945 OE1 GLU A 60 20.157 1.940 3.698 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.771 3.999 4.158 1.00 0.00 O ATOM 0 H GLU A 60 15.409 2.121 5.259 1.00 0.00 H new ATOM 0 HA GLU A 60 15.967 4.730 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.698 3.610 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.491 2.126 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.292 3.303 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.554 4.750 3.362 1.00 0.00 H new ATOM 953 N SER A 61 15.329 2.118 2.283 1.00 0.00 N ATOM 954 CA SER A 61 15.004 1.673 0.943 1.00 0.00 C ATOM 955 C SER A 61 13.503 1.776 0.709 1.00 0.00 C ATOM 956 O SER A 61 12.720 1.643 1.653 1.00 0.00 O ATOM 957 CB SER A 61 15.483 0.233 0.750 1.00 0.00 C ATOM 958 OG SER A 61 16.873 0.127 1.017 1.00 0.00 O ATOM 0 H SER A 61 15.165 1.420 3.009 1.00 0.00 H new ATOM 0 HA SER A 61 15.509 2.311 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.929 -0.432 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.278 -0.090 -0.271 1.00 0.00 H new ATOM 0 HG SER A 61 17.161 -0.801 0.890 1.00 0.00 H new ATOM 964 N PRO A 62 13.087 2.042 -0.542 1.00 0.00 N ATOM 965 CA PRO A 62 11.675 2.124 -0.916 1.00 0.00 C ATOM 966 C PRO A 62 10.890 0.897 -0.466 1.00 0.00 C ATOM 967 O PRO A 62 11.060 -0.201 -0.996 1.00 0.00 O ATOM 968 CB PRO A 62 11.693 2.225 -2.450 1.00 0.00 C ATOM 969 CG PRO A 62 13.097 1.915 -2.857 1.00 0.00 C ATOM 970 CD PRO A 62 13.961 2.300 -1.692 1.00 0.00 C ATOM 0 HA PRO A 62 11.183 2.972 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.991 1.521 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.400 3.221 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.210 0.857 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.376 2.473 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.872 1.704 -1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.266 3.345 -1.742 1.00 0.00 H new ATOM 978 N GLN A 63 10.043 1.096 0.528 1.00 0.00 N ATOM 979 CA GLN A 63 9.249 0.017 1.084 1.00 0.00 C ATOM 980 C GLN A 63 7.967 -0.144 0.276 1.00 0.00 C ATOM 981 O GLN A 63 7.458 0.824 -0.281 1.00 0.00 O ATOM 982 CB GLN A 63 8.924 0.329 2.547 1.00 0.00 C ATOM 983 CG GLN A 63 8.240 -0.804 3.292 1.00 0.00 C ATOM 984 CD GLN A 63 7.882 -0.419 4.710 1.00 0.00 C ATOM 985 OE1 GLN A 63 6.786 0.071 4.975 1.00 0.00 O ATOM 986 NE2 GLN A 63 8.806 -0.635 5.633 1.00 0.00 N ATOM 0 H GLN A 63 9.887 2.002 0.969 1.00 0.00 H new ATOM 0 HA GLN A 63 9.810 -0.916 1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.848 0.583 3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.284 1.211 2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.336 -1.095 2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.896 -1.675 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.703 -1.044 5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.621 -0.393 6.606 1.00 0.00 H new ATOM 995 N THR A 64 7.465 -1.362 0.182 1.00 0.00 N ATOM 996 CA THR A 64 6.227 -1.611 -0.533 1.00 0.00 C ATOM 997 C THR A 64 5.167 -2.176 0.408 1.00 0.00 C ATOM 998 O THR A 64 5.418 -3.149 1.116 1.00 0.00 O ATOM 999 CB THR A 64 6.445 -2.592 -1.704 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.507 -2.119 -2.543 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.178 -2.749 -2.532 1.00 0.00 C ATOM 0 H THR A 64 7.894 -2.192 0.591 1.00 0.00 H new ATOM 0 HA THR A 64 5.884 -0.657 -0.934 1.00 0.00 H new ATOM 0 HB THR A 64 6.708 -3.564 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.643 -2.746 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.362 -3.446 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.376 -3.133 -1.901 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.887 -1.781 -2.939 1.00 0.00 H new ATOM 1009 N ILE A 65 3.999 -1.552 0.420 1.00 0.00 N ATOM 1010 CA ILE A 65 2.884 -2.042 1.215 1.00 0.00 C ATOM 1011 C ILE A 65 1.835 -2.655 0.303 1.00 0.00 C ATOM 1012 O ILE A 65 1.134 -1.948 -0.420 1.00 0.00 O ATOM 1013 CB ILE A 65 2.227 -0.925 2.056 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.248 -0.300 3.009 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.043 -1.479 2.840 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.681 0.826 3.846 1.00 0.00 C ATOM 0 H ILE A 65 3.799 -0.705 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 65 3.282 -2.790 1.901 1.00 0.00 H new ATOM 0 HB ILE A 65 1.866 -0.151 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.637 -1.074 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.091 0.077 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.590 -0.681 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.305 -1.883 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.386 -2.270 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.459 1.222 4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.318 1.618 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.857 0.450 4.452 1.00 0.00 H new ATOM 1028 N ASN A 66 1.753 -3.973 0.319 1.00 0.00 N ATOM 1029 CA ASN A 66 0.791 -4.681 -0.505 1.00 0.00 C ATOM 1030 C ASN A 66 -0.527 -4.851 0.235 1.00 0.00 C ATOM 1031 O ASN A 66 -0.659 -5.705 1.118 1.00 0.00 O ATOM 1032 CB ASN A 66 1.347 -6.043 -0.924 1.00 0.00 C ATOM 1033 CG ASN A 66 2.543 -5.921 -1.851 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.617 -5.014 -2.682 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.495 -6.826 -1.705 1.00 0.00 N ATOM 0 H ASN A 66 2.342 -4.575 0.894 1.00 0.00 H new ATOM 0 HA ASN A 66 0.607 -4.090 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.636 -6.603 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.563 -6.615 -1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.328 -6.789 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.396 -7.562 -1.005 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.489 -4.012 -0.114 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.818 -4.077 0.461 1.00 0.00 C ATOM 1044 C ILE A 67 -3.742 -4.817 -0.494 1.00 0.00 C ATOM 1045 O ILE A 67 -4.129 -4.283 -1.529 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.374 -2.662 0.740 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.446 -1.914 1.702 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.787 -2.736 1.302 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.910 -0.516 2.044 1.00 0.00 C ATOM 0 H ILE A 67 -1.369 -3.269 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.761 -4.610 1.410 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.417 -2.114 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.354 -2.490 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.451 -1.857 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.157 -1.728 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.439 -3.233 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.778 -3.300 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.199 -0.054 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.975 0.079 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.891 -0.564 2.517 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.070 -6.052 -0.156 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.834 -6.904 -1.057 1.00 0.00 C ATOM 1063 C ILE A 68 -6.306 -6.946 -0.649 1.00 0.00 C ATOM 1064 O ILE A 68 -6.632 -7.131 0.527 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.256 -8.338 -1.086 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.787 -8.302 -1.520 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.067 -9.227 -2.021 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.113 -9.658 -1.518 1.00 0.00 C ATOM 0 H ILE A 68 -3.821 -6.488 0.732 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.759 -6.477 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.316 -8.758 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.725 -7.878 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.239 -7.634 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.643 -10.231 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.100 -9.271 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.038 -8.816 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.076 -9.549 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.142 -10.077 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.635 -10.325 -2.204 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.186 -6.764 -1.623 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.620 -6.756 -1.375 1.00 0.00 C ATOM 1082 C TYR A 69 -9.264 -8.078 -1.774 1.00 0.00 C ATOM 1083 O TYR A 69 -8.725 -8.833 -2.582 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.290 -5.618 -2.149 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.943 -4.237 -1.643 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -7.772 -3.602 -2.039 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -9.797 -3.561 -0.782 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -7.462 -2.336 -1.587 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -9.494 -2.295 -0.323 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.326 -1.685 -0.729 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.026 -0.419 -0.288 1.00 0.00 O ATOM 0 H TYR A 69 -6.929 -6.619 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.763 -6.608 -0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.005 -5.690 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.371 -5.749 -2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.094 -4.107 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.715 -4.034 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.547 -1.856 -1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.168 -1.785 0.350 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.587 -0.201 0.485 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.416 -8.346 -1.184 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.234 -9.486 -1.548 1.00 0.00 C ATOM 1103 C GLN A 70 -12.659 -9.019 -1.797 1.00 0.00 C ATOM 1104 O GLN A 70 -13.191 -8.205 -1.041 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.211 -10.544 -0.441 1.00 0.00 C ATOM 1106 CG GLN A 70 -12.148 -11.713 -0.702 1.00 0.00 C ATOM 1107 CD GLN A 70 -12.113 -12.745 0.405 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -12.847 -12.645 1.386 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -11.278 -13.757 0.244 1.00 0.00 N ATOM 0 H GLN A 70 -10.810 -7.776 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.833 -9.937 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.194 -10.921 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.482 -10.075 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.166 -11.340 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.877 -12.188 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.686 -13.802 -0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.226 -14.492 0.949 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.268 -9.516 -2.859 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.621 -9.120 -3.208 1.00 0.00 C ATOM 1120 C LYS A 71 -15.622 -9.796 -2.275 1.00 0.00 C ATOM 1121 O LYS A 71 -15.500 -10.987 -1.988 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.918 -9.483 -4.664 1.00 0.00 C ATOM 1123 CG LYS A 71 -16.207 -8.877 -5.194 1.00 0.00 C ATOM 1124 CD LYS A 71 -16.475 -9.310 -6.624 1.00 0.00 C ATOM 1125 CE LYS A 71 -17.718 -8.637 -7.184 1.00 0.00 C ATOM 1126 NZ LYS A 71 -18.062 -9.143 -8.538 1.00 0.00 N ATOM 0 H LYS A 71 -12.848 -10.194 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.713 -8.040 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.088 -9.152 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.973 -10.568 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.040 -9.178 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.146 -7.790 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.615 -9.065 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.598 -10.392 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.557 -8.807 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.558 -7.560 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.915 -8.659 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.272 -8.959 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.240 -10.167 -8.491 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.598 -9.029 -1.797 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.613 -9.559 -0.885 1.00 0.00 C ATOM 1142 C LYS A 72 -18.520 -10.551 -1.603 1.00 0.00 C ATOM 1143 O LYS A 72 -19.014 -11.509 -1.006 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.464 -8.427 -0.304 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.661 -7.354 0.410 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.570 -6.316 1.056 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.448 -5.616 0.029 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.391 -4.661 0.665 1.00 0.00 N ATOM 0 H LYS A 72 -16.709 -8.041 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.094 -10.070 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -19.033 -7.964 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.186 -8.851 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.033 -7.815 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.994 -6.864 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.199 -6.799 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.963 -5.577 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.819 -5.084 -0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -20.010 -6.360 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.971 -4.205 -0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -21.009 -5.172 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.854 -3.936 1.182 1.00 0.00 H new