USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 Single : A 10 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -3.03! C(o=-6.9!,f=-3!) USER MOD Single : A 15 THR OG1 : rot 72:sc= 0.478 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00183 USER MOD Single : A 21 THR OG1 : rot 95:sc= 1.12 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.33 F(o=-3.2!,f=-1.3) USER MOD Single : A 36 GLN : amide:sc= -3.25! C(o=-3.2!,f=-7.9!) USER MOD Single : A 39 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.96) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.47) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 49 TYR OH : rot -102:sc= -0.266 USER MOD Single : A 51 SER OG : rot -98:sc= 0.294 USER MOD Single : A 53 TYR OH : rot 164:sc= -0.674! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 115:sc= 1.08 USER MOD Single : A 67 THR OG1 : rot -97:sc= -1.27! USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.48 USER MOD Single : A 73 ASN : amide:sc= -1.74! X(o=-1.7!,f=-1.4) USER MOD Single : A 74 SER OG : rot 74:sc= 0.0852 USER MOD Single : A 78 TYR OH : rot -130:sc= -2.03! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 22:sc= 0.341 USER MOD Single : A 81 SER OG : rot 74:sc= 1.11 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.2 F(o=-7.1!,f=-1.2) USER MOD Single : A 100 THR OG1 : rot -110:sc= -0.87! USER MOD Single : A 101 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.2) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 75.468 -9.511 8.862 1.00 0.00 N ATOM 106 CA ASN A 10 76.033 -10.483 7.931 1.00 0.00 C ATOM 107 C ASN A 10 77.556 -10.410 7.934 1.00 0.00 C ATOM 108 O ASN A 10 78.148 -9.640 8.690 1.00 0.00 O ATOM 109 CB ASN A 10 75.511 -10.216 6.518 1.00 0.00 C ATOM 110 CG ASN A 10 74.436 -11.237 6.160 1.00 0.00 C ATOM 111 OD1 ASN A 10 73.257 -11.023 6.440 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.775 -12.342 5.554 1.00 0.00 N ATOM 0 HA ASN A 10 75.729 -11.480 8.250 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.102 -9.208 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.331 -10.272 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 10 74.062 -13.030 5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 10 75.753 -12.518 5.323 1.00 0.00 H new ATOM 119 N TYR A 11 78.183 -11.216 7.083 1.00 0.00 N ATOM 120 CA TYR A 11 79.639 -11.238 6.996 1.00 0.00 C ATOM 121 C TYR A 11 80.097 -10.902 5.580 1.00 0.00 C ATOM 122 O TYR A 11 80.193 -9.732 5.210 1.00 0.00 O ATOM 123 CB TYR A 11 80.164 -12.620 7.393 1.00 0.00 C ATOM 124 CG TYR A 11 79.882 -12.867 8.857 1.00 0.00 C ATOM 125 CD1 TYR A 11 78.563 -13.022 9.299 1.00 0.00 C ATOM 126 CD2 TYR A 11 80.939 -12.941 9.771 1.00 0.00 C ATOM 127 CE1 TYR A 11 78.301 -13.251 10.655 1.00 0.00 C ATOM 128 CE2 TYR A 11 80.677 -13.170 11.127 1.00 0.00 C ATOM 129 CZ TYR A 11 79.358 -13.325 11.570 1.00 0.00 C ATOM 130 OH TYR A 11 79.100 -13.551 12.906 1.00 0.00 O ATOM 0 H TYR A 11 77.710 -11.858 6.448 1.00 0.00 H new ATOM 0 HA TYR A 11 80.037 -10.489 7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.688 -13.390 6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 11 81.236 -12.682 7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.747 -12.965 8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 11 81.957 -12.821 9.430 1.00 0.00 H new ATOM 0 HE1 TYR A 11 77.283 -13.371 10.995 1.00 0.00 H new ATOM 0 HE2 TYR A 11 81.493 -13.227 11.832 1.00 0.00 H new ATOM 0 HH TYR A 11 79.944 -13.575 13.403 1.00 0.00 H new ATOM 140 N SER A 12 80.378 -11.935 4.792 1.00 0.00 N ATOM 141 CA SER A 12 80.823 -11.740 3.416 1.00 0.00 C ATOM 142 C SER A 12 79.755 -11.012 2.607 1.00 0.00 C ATOM 143 O SER A 12 80.067 -10.146 1.791 1.00 0.00 O ATOM 144 CB SER A 12 81.120 -13.094 2.772 1.00 0.00 C ATOM 145 OG SER A 12 82.202 -13.712 3.456 1.00 0.00 O ATOM 0 H SER A 12 80.306 -12.911 5.080 1.00 0.00 H new ATOM 0 HA SER A 12 81.729 -11.134 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.237 -13.731 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.368 -12.962 1.719 1.00 0.00 H new ATOM 0 HG SER A 12 82.394 -14.581 3.047 1.00 0.00 H new ATOM 151 N GLN A 13 78.496 -11.371 2.839 1.00 0.00 N ATOM 152 CA GLN A 13 77.386 -10.750 2.125 1.00 0.00 C ATOM 153 C GLN A 13 77.454 -9.229 2.237 1.00 0.00 C ATOM 154 O GLN A 13 77.390 -8.519 1.234 1.00 0.00 O ATOM 155 CB GLN A 13 76.056 -11.244 2.700 1.00 0.00 C ATOM 156 CG GLN A 13 75.137 -11.721 1.570 1.00 0.00 C ATOM 157 CD GLN A 13 74.654 -10.532 0.737 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.507 -9.628 0.322 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 73.462 -10.422 0.455 1.00 0.00 N flip ATOM 0 H GLN A 13 78.220 -12.085 3.513 1.00 0.00 H new ATOM 0 HA GLN A 13 77.457 -11.028 1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.235 -12.059 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.572 -10.442 3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 13 75.670 -12.427 0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 13 74.282 -12.252 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 13 72.795 -11.124 0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.140 -9.629 -0.100 1.00 0.00 H new ATOM 168 N ASP A 14 77.579 -8.737 3.464 1.00 0.00 N ATOM 169 CA ASP A 14 77.650 -7.300 3.697 1.00 0.00 C ATOM 170 C ASP A 14 78.937 -6.723 3.118 1.00 0.00 C ATOM 171 O ASP A 14 78.982 -5.558 2.723 1.00 0.00 O ATOM 172 CB ASP A 14 77.582 -7.009 5.199 1.00 0.00 C ATOM 173 CG ASP A 14 78.825 -7.553 5.894 1.00 0.00 C ATOM 174 OD1 ASP A 14 79.904 -7.060 5.609 1.00 0.00 O ATOM 175 OD2 ASP A 14 78.681 -8.455 6.704 1.00 0.00 O ATOM 0 H ASP A 14 77.633 -9.308 4.308 1.00 0.00 H new ATOM 0 HA ASP A 14 76.802 -6.829 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.503 -5.935 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 14 76.688 -7.465 5.626 1.00 0.00 H new ATOM 180 N THR A 15 79.983 -7.542 3.074 1.00 0.00 N ATOM 181 CA THR A 15 81.266 -7.093 2.545 1.00 0.00 C ATOM 182 C THR A 15 81.136 -6.675 1.083 1.00 0.00 C ATOM 183 O THR A 15 81.618 -5.616 0.690 1.00 0.00 O ATOM 184 CB THR A 15 82.306 -8.210 2.665 1.00 0.00 C ATOM 185 OG1 THR A 15 82.247 -8.772 3.970 1.00 0.00 O ATOM 186 CG2 THR A 15 83.702 -7.635 2.415 1.00 0.00 C ATOM 0 H THR A 15 79.969 -8.510 3.395 1.00 0.00 H new ATOM 0 HA THR A 15 81.588 -6.231 3.129 1.00 0.00 H new ATOM 0 HB THR A 15 82.097 -8.985 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.426 -9.300 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.443 -8.429 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 15 83.744 -7.205 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.914 -6.861 3.152 1.00 0.00 H new ATOM 194 N LEU A 16 80.490 -7.513 0.277 1.00 0.00 N ATOM 195 CA LEU A 16 80.324 -7.199 -1.141 1.00 0.00 C ATOM 196 C LEU A 16 79.659 -5.838 -1.309 1.00 0.00 C ATOM 197 O LEU A 16 80.045 -5.051 -2.172 1.00 0.00 O ATOM 198 CB LEU A 16 79.475 -8.260 -1.862 1.00 0.00 C ATOM 199 CG LEU A 16 79.446 -9.579 -1.079 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.574 -10.586 -1.832 1.00 0.00 C ATOM 201 CD2 LEU A 16 80.862 -10.148 -0.952 1.00 0.00 C ATOM 0 H LEU A 16 80.079 -8.399 0.573 1.00 0.00 H new ATOM 0 HA LEU A 16 81.319 -7.186 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 16 78.458 -7.889 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 16 79.879 -8.436 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 16 79.041 -9.395 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 78.548 -11.527 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.562 -10.192 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.990 -10.757 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 80.829 -11.084 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 16 81.271 -10.331 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 16 81.495 -9.434 -0.425 1.00 0.00 H new ATOM 213 N THR A 17 78.655 -5.566 -0.482 1.00 0.00 N ATOM 214 CA THR A 17 77.944 -4.295 -0.553 1.00 0.00 C ATOM 215 C THR A 17 78.787 -3.175 0.045 1.00 0.00 C ATOM 216 O THR A 17 78.806 -2.057 -0.469 1.00 0.00 O ATOM 217 CB THR A 17 76.617 -4.394 0.201 1.00 0.00 C ATOM 218 OG1 THR A 17 76.039 -5.672 -0.028 1.00 0.00 O ATOM 219 CG2 THR A 17 75.665 -3.303 -0.291 1.00 0.00 C ATOM 0 H THR A 17 78.317 -6.203 0.240 1.00 0.00 H new ATOM 0 HA THR A 17 77.750 -4.069 -1.601 1.00 0.00 H new ATOM 0 HB THR A 17 76.794 -4.262 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 17 75.189 -5.738 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.720 -3.375 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.110 -2.324 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.485 -3.431 -1.358 1.00 0.00 H new ATOM 227 N VAL A 18 79.476 -3.481 1.139 1.00 0.00 N ATOM 228 CA VAL A 18 80.312 -2.487 1.804 1.00 0.00 C ATOM 229 C VAL A 18 81.537 -2.143 0.958 1.00 0.00 C ATOM 230 O VAL A 18 81.781 -0.976 0.655 1.00 0.00 O ATOM 231 CB VAL A 18 80.767 -3.015 3.165 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.698 -1.994 3.822 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.545 -3.238 4.060 1.00 0.00 C ATOM 0 H VAL A 18 79.473 -4.400 1.581 1.00 0.00 H new ATOM 0 HA VAL A 18 79.718 -1.583 1.939 1.00 0.00 H new ATOM 0 HB VAL A 18 81.297 -3.958 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.023 -2.369 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.568 -1.833 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.167 -1.052 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 18 79.869 -3.614 5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.016 -2.295 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 18 78.879 -3.964 3.593 1.00 0.00 H new ATOM 243 N ILE A 19 82.307 -3.161 0.585 1.00 0.00 N ATOM 244 CA ILE A 19 83.506 -2.939 -0.216 1.00 0.00 C ATOM 245 C ILE A 19 83.152 -2.365 -1.574 1.00 0.00 C ATOM 246 O ILE A 19 83.896 -1.558 -2.127 1.00 0.00 O ATOM 247 CB ILE A 19 84.293 -4.253 -0.370 1.00 0.00 C ATOM 248 CG1 ILE A 19 85.663 -4.095 0.301 1.00 0.00 C ATOM 249 CG2 ILE A 19 84.490 -4.599 -1.853 1.00 0.00 C ATOM 250 CD1 ILE A 19 86.410 -5.432 0.288 1.00 0.00 C ATOM 0 H ILE A 19 82.125 -4.137 0.821 1.00 0.00 H new ATOM 0 HA ILE A 19 84.135 -2.214 0.300 1.00 0.00 H new ATOM 0 HB ILE A 19 83.731 -5.059 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 19 86.248 -3.337 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 85.537 -3.749 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 19 85.049 -5.531 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 19 83.518 -4.714 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 19 85.044 -3.798 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 19 87.382 -5.310 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.829 -6.178 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 19 86.551 -5.760 -0.742 1.00 0.00 H new ATOM 262 N ALA A 20 82.024 -2.779 -2.119 1.00 0.00 N ATOM 263 CA ALA A 20 81.628 -2.281 -3.420 1.00 0.00 C ATOM 264 C ALA A 20 81.256 -0.805 -3.352 1.00 0.00 C ATOM 265 O ALA A 20 81.746 0.000 -4.138 1.00 0.00 O ATOM 266 CB ALA A 20 80.449 -3.086 -3.967 1.00 0.00 C ATOM 0 H ALA A 20 81.379 -3.444 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 20 82.479 -2.394 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 20 80.166 -2.697 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 20 80.736 -4.133 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 20 79.603 -3.002 -3.284 1.00 0.00 H new ATOM 272 N THR A 21 80.382 -0.455 -2.416 1.00 0.00 N ATOM 273 CA THR A 21 79.948 0.932 -2.277 1.00 0.00 C ATOM 274 C THR A 21 81.119 1.854 -1.949 1.00 0.00 C ATOM 275 O THR A 21 81.131 3.017 -2.353 1.00 0.00 O ATOM 276 CB THR A 21 78.887 1.042 -1.180 1.00 0.00 C ATOM 277 OG1 THR A 21 77.868 0.078 -1.411 1.00 0.00 O ATOM 278 CG2 THR A 21 78.276 2.445 -1.195 1.00 0.00 C ATOM 0 H THR A 21 79.963 -1.103 -1.749 1.00 0.00 H new ATOM 0 HA THR A 21 79.525 1.245 -3.232 1.00 0.00 H new ATOM 0 HB THR A 21 79.348 0.860 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.062 -0.733 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.521 2.521 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.057 3.184 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.814 2.630 -2.165 1.00 0.00 H new ATOM 286 N LEU A 22 82.101 1.341 -1.220 1.00 0.00 N ATOM 287 CA LEU A 22 83.258 2.150 -0.856 1.00 0.00 C ATOM 288 C LEU A 22 84.173 2.340 -2.057 1.00 0.00 C ATOM 289 O LEU A 22 84.547 3.463 -2.396 1.00 0.00 O ATOM 290 CB LEU A 22 84.034 1.463 0.263 1.00 0.00 C ATOM 291 CG LEU A 22 83.585 2.019 1.615 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.974 1.043 2.726 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.267 3.367 1.860 1.00 0.00 C ATOM 0 H LEU A 22 82.122 0.382 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 22 82.907 3.125 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.867 0.387 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.104 1.624 0.129 1.00 0.00 H new ATOM 0 HG LEU A 22 82.503 2.151 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.653 1.441 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.491 0.082 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.056 0.910 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.949 3.766 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.349 3.232 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.990 4.064 1.069 1.00 0.00 H new ATOM 305 N ARG A 23 84.524 1.235 -2.699 1.00 0.00 N ATOM 306 CA ARG A 23 85.387 1.284 -3.868 1.00 0.00 C ATOM 307 C ARG A 23 84.633 1.843 -5.066 1.00 0.00 C ATOM 308 O ARG A 23 85.228 2.453 -5.954 1.00 0.00 O ATOM 309 CB ARG A 23 85.919 -0.115 -4.192 1.00 0.00 C ATOM 310 CG ARG A 23 87.070 -0.466 -3.241 1.00 0.00 C ATOM 311 CD ARG A 23 86.873 -1.878 -2.681 1.00 0.00 C ATOM 312 NE ARG A 23 88.120 -2.378 -2.120 1.00 0.00 N ATOM 313 CZ ARG A 23 88.496 -2.046 -0.890 1.00 0.00 C ATOM 314 NH1 ARG A 23 87.750 -1.251 -0.173 1.00 0.00 N ATOM 315 NH2 ARG A 23 89.609 -2.514 -0.398 1.00 0.00 N ATOM 0 H ARG A 23 84.225 0.297 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 23 86.228 1.942 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 23 85.119 -0.849 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 23 86.264 -0.153 -5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 23 88.021 -0.405 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 23 87.112 0.255 -2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 23 86.099 -1.867 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 23 86.529 -2.545 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 23 88.713 -2.992 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 23 86.879 -0.885 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 23 88.038 -0.996 0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 23 90.192 -3.136 -0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 23 89.896 -2.258 0.547 1.00 0.00 H new ATOM 329 N GLU A 24 83.322 1.624 -5.096 1.00 0.00 N ATOM 330 CA GLU A 24 82.514 2.115 -6.207 1.00 0.00 C ATOM 331 C GLU A 24 82.273 3.611 -6.082 1.00 0.00 C ATOM 332 O GLU A 24 81.987 4.289 -7.064 1.00 0.00 O ATOM 333 CB GLU A 24 81.175 1.373 -6.261 1.00 0.00 C ATOM 334 CG GLU A 24 80.368 1.856 -7.467 1.00 0.00 C ATOM 335 CD GLU A 24 79.062 1.075 -7.567 1.00 0.00 C ATOM 336 OE1 GLU A 24 78.176 1.337 -6.770 1.00 0.00 O ATOM 337 OE2 GLU A 24 78.968 0.226 -8.437 1.00 0.00 O ATOM 0 H GLU A 24 82.804 1.119 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 24 83.061 1.929 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 24 81.346 0.299 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 24 80.614 1.547 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 24 80.158 2.921 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 24 80.950 1.726 -8.380 1.00 0.00 H new ATOM 344 N ALA A 25 82.397 4.113 -4.866 1.00 0.00 N ATOM 345 CA ALA A 25 82.191 5.537 -4.609 1.00 0.00 C ATOM 346 C ALA A 25 83.250 6.371 -5.319 1.00 0.00 C ATOM 347 O ALA A 25 82.947 7.413 -5.899 1.00 0.00 O ATOM 348 CB ALA A 25 82.245 5.811 -3.105 1.00 0.00 C ATOM 0 H ALA A 25 82.638 3.563 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 25 81.210 5.816 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.091 6.875 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.464 5.240 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.219 5.514 -2.716 1.00 0.00 H new ATOM 354 N ILE A 26 84.490 5.906 -5.275 1.00 0.00 N ATOM 355 CA ILE A 26 85.579 6.617 -5.930 1.00 0.00 C ATOM 356 C ILE A 26 85.535 6.360 -7.423 1.00 0.00 C ATOM 357 O ILE A 26 85.952 7.190 -8.230 1.00 0.00 O ATOM 358 CB ILE A 26 86.916 6.145 -5.372 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.060 6.862 -6.111 1.00 0.00 C ATOM 360 CG2 ILE A 26 87.039 4.626 -5.531 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.724 5.917 -7.119 1.00 0.00 C ATOM 0 H ILE A 26 84.766 5.048 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 26 85.468 7.685 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 26 86.976 6.386 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.673 7.740 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.800 7.215 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.997 4.295 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 26 86.230 4.137 -4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.978 4.365 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.530 6.441 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 26 89.129 5.052 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 26 87.985 5.585 -7.848 1.00 0.00 H new ATOM 373 N ASP A 27 85.031 5.190 -7.774 1.00 0.00 N ATOM 374 CA ASP A 27 84.933 4.798 -9.176 1.00 0.00 C ATOM 375 C ASP A 27 83.507 4.382 -9.539 1.00 0.00 C ATOM 376 O ASP A 27 83.299 3.336 -10.154 1.00 0.00 O ATOM 377 CB ASP A 27 85.887 3.637 -9.459 1.00 0.00 C ATOM 378 CG ASP A 27 85.916 3.339 -10.955 1.00 0.00 C ATOM 379 OD1 ASP A 27 85.249 4.046 -11.692 1.00 0.00 O ATOM 380 OD2 ASP A 27 86.606 2.410 -11.340 1.00 0.00 O ATOM 0 H ASP A 27 84.684 4.495 -7.113 1.00 0.00 H new ATOM 0 HA ASP A 27 85.206 5.660 -9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 86.889 3.885 -9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 27 85.568 2.751 -8.909 1.00 0.00 H new ATOM 385 N LEU A 28 82.531 5.207 -9.169 1.00 0.00 N ATOM 386 CA LEU A 28 81.137 4.898 -9.483 1.00 0.00 C ATOM 387 C LEU A 28 80.843 5.224 -10.946 1.00 0.00 C ATOM 388 O LEU A 28 81.491 6.088 -11.536 1.00 0.00 O ATOM 389 CB LEU A 28 80.171 5.691 -8.588 1.00 0.00 C ATOM 390 CG LEU A 28 80.755 7.060 -8.249 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.959 7.862 -9.535 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.778 7.798 -7.340 1.00 0.00 C ATOM 0 H LEU A 28 82.674 6.080 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 28 80.987 3.834 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 28 79.214 5.813 -9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.977 5.135 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 28 81.714 6.940 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 28 81.376 8.839 -9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 81.645 7.328 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 80.001 7.991 -10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 28 80.183 8.778 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.824 7.920 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.627 7.224 -6.426 1.00 0.00 H new ATOM 404 N PRO A 29 79.880 4.564 -11.537 1.00 0.00 N ATOM 405 CA PRO A 29 79.499 4.808 -12.958 1.00 0.00 C ATOM 406 C PRO A 29 79.219 6.286 -13.221 1.00 0.00 C ATOM 407 O PRO A 29 78.949 7.050 -12.296 1.00 0.00 O ATOM 408 CB PRO A 29 78.234 3.966 -13.170 1.00 0.00 C ATOM 409 CG PRO A 29 77.814 3.483 -11.818 1.00 0.00 C ATOM 410 CD PRO A 29 79.053 3.518 -10.928 1.00 0.00 C ATOM 0 HA PRO A 29 80.302 4.535 -13.643 1.00 0.00 H new ATOM 0 HB2 PRO A 29 77.445 4.560 -13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 29 78.433 3.127 -13.837 1.00 0.00 H new ATOM 0 HG2 PRO A 29 77.027 4.117 -11.409 1.00 0.00 H new ATOM 0 HG3 PRO A 29 77.410 2.472 -11.878 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.799 3.757 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 29 79.566 2.556 -10.916 1.00 0.00 H new ATOM 418 N GLN A 30 79.290 6.679 -14.488 1.00 0.00 N ATOM 419 CA GLN A 30 79.045 8.068 -14.864 1.00 0.00 C ATOM 420 C GLN A 30 77.640 8.505 -14.458 1.00 0.00 C ATOM 421 O GLN A 30 77.224 9.626 -14.750 1.00 0.00 O ATOM 422 CB GLN A 30 79.218 8.236 -16.374 1.00 0.00 C ATOM 423 CG GLN A 30 80.680 8.555 -16.687 1.00 0.00 C ATOM 424 CD GLN A 30 80.988 8.220 -18.143 1.00 0.00 C ATOM 425 OE1 GLN A 30 80.624 8.974 -19.045 1.00 0.00 O ATOM 426 NE2 GLN A 30 81.641 7.126 -18.427 1.00 0.00 N ATOM 0 H GLN A 30 79.514 6.061 -15.268 1.00 0.00 H new ATOM 0 HA GLN A 30 79.767 8.695 -14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 30 78.915 7.324 -16.889 1.00 0.00 H new ATOM 0 HB3 GLN A 30 78.574 9.037 -16.738 1.00 0.00 H new ATOM 0 HG2 GLN A 30 80.879 9.610 -16.498 1.00 0.00 H new ATOM 0 HG3 GLN A 30 81.334 7.984 -16.028 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.942 6.503 -17.678 1.00 0.00 H new ATOM 0 HE22 GLN A 30 81.851 6.895 -19.398 1.00 0.00 H new ATOM 435 N ASP A 31 76.913 7.616 -13.789 1.00 0.00 N ATOM 436 CA ASP A 31 75.555 7.928 -13.356 1.00 0.00 C ATOM 437 C ASP A 31 75.566 8.620 -11.996 1.00 0.00 C ATOM 438 O ASP A 31 74.514 8.870 -11.409 1.00 0.00 O ATOM 439 CB ASP A 31 74.728 6.645 -13.266 1.00 0.00 C ATOM 440 CG ASP A 31 74.585 6.018 -14.649 1.00 0.00 C ATOM 441 OD1 ASP A 31 74.888 6.695 -15.618 1.00 0.00 O ATOM 442 OD2 ASP A 31 74.174 4.871 -14.719 1.00 0.00 O ATOM 0 H ASP A 31 77.237 6.682 -13.537 1.00 0.00 H new ATOM 0 HA ASP A 31 75.109 8.601 -14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 31 75.207 5.941 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.743 6.866 -12.854 1.00 0.00 H new ATOM 447 N ALA A 32 76.760 8.932 -11.501 1.00 0.00 N ATOM 448 CA ALA A 32 76.887 9.599 -10.210 1.00 0.00 C ATOM 449 C ALA A 32 78.065 10.566 -10.223 1.00 0.00 C ATOM 450 O ALA A 32 79.082 10.329 -9.573 1.00 0.00 O ATOM 451 CB ALA A 32 77.089 8.563 -9.102 1.00 0.00 C ATOM 0 H ALA A 32 77.645 8.736 -11.969 1.00 0.00 H new ATOM 0 HA ALA A 32 75.971 10.159 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 32 77.183 9.071 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 32 76.233 7.889 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.995 7.991 -9.300 1.00 0.00 H new ATOM 457 N PRO A 33 77.942 11.644 -10.947 1.00 0.00 N ATOM 458 CA PRO A 33 79.013 12.679 -11.048 1.00 0.00 C ATOM 459 C PRO A 33 79.315 13.332 -9.700 1.00 0.00 C ATOM 460 O PRO A 33 79.732 14.490 -9.639 1.00 0.00 O ATOM 461 CB PRO A 33 78.451 13.711 -12.036 1.00 0.00 C ATOM 462 CG PRO A 33 77.298 13.048 -12.717 1.00 0.00 C ATOM 463 CD PRO A 33 76.766 11.993 -11.751 1.00 0.00 C ATOM 0 HA PRO A 33 79.958 12.246 -11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.130 14.614 -11.516 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.210 14.012 -12.758 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.523 13.775 -12.962 1.00 0.00 H new ATOM 0 HG3 PRO A 33 77.613 12.590 -13.655 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.959 12.385 -11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.370 11.127 -12.281 1.00 0.00 H new ATOM 471 N ASN A 34 79.104 12.583 -8.624 1.00 0.00 N ATOM 472 CA ASN A 34 79.358 13.092 -7.283 1.00 0.00 C ATOM 473 C ASN A 34 79.939 11.988 -6.407 1.00 0.00 C ATOM 474 O ASN A 34 79.289 11.512 -5.477 1.00 0.00 O ATOM 475 CB ASN A 34 78.058 13.609 -6.665 1.00 0.00 C ATOM 476 CG ASN A 34 76.932 12.610 -6.909 1.00 0.00 C ATOM 477 OD1 ASN A 34 77.185 11.331 -6.868 1.00 0.00 O flip ATOM 478 ND2 ASN A 34 75.791 13.007 -7.145 1.00 0.00 N flip ATOM 0 H ASN A 34 78.759 11.624 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 34 80.074 13.911 -7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 34 78.191 13.765 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.799 14.575 -7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 34 75.595 14.008 -7.177 1.00 0.00 H new ATOM 0 HD22 ASN A 34 75.041 12.335 -7.309 1.00 0.00 H new ATOM 485 N ARG A 35 81.166 11.585 -6.716 1.00 0.00 N ATOM 486 CA ARG A 35 81.828 10.533 -5.954 1.00 0.00 C ATOM 487 C ARG A 35 81.804 10.868 -4.465 1.00 0.00 C ATOM 488 O ARG A 35 82.010 9.999 -3.618 1.00 0.00 O ATOM 489 CB ARG A 35 83.283 10.381 -6.413 1.00 0.00 C ATOM 490 CG ARG A 35 83.328 9.836 -7.846 1.00 0.00 C ATOM 491 CD ARG A 35 82.930 10.927 -8.849 1.00 0.00 C ATOM 492 NE ARG A 35 83.580 10.684 -10.132 1.00 0.00 N ATOM 493 CZ ARG A 35 84.850 11.020 -10.331 1.00 0.00 C ATOM 494 NH1 ARG A 35 85.536 11.575 -9.369 1.00 0.00 N ATOM 495 NH2 ARG A 35 85.410 10.797 -11.488 1.00 0.00 N ATOM 0 H ARG A 35 81.719 11.967 -7.483 1.00 0.00 H new ATOM 0 HA ARG A 35 81.295 9.597 -6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.790 11.345 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.816 9.707 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.331 9.474 -8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 35 82.654 8.985 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.848 10.938 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.216 11.907 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 35 83.051 10.249 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 35 85.097 11.750 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 35 86.511 11.833 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.873 10.365 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 35 86.385 11.055 -11.641 1.00 0.00 H new ATOM 509 N GLN A 36 81.558 12.138 -4.159 1.00 0.00 N ATOM 510 CA GLN A 36 81.515 12.591 -2.771 1.00 0.00 C ATOM 511 C GLN A 36 80.207 12.184 -2.097 1.00 0.00 C ATOM 512 O GLN A 36 80.211 11.672 -0.978 1.00 0.00 O ATOM 513 CB GLN A 36 81.667 14.112 -2.718 1.00 0.00 C ATOM 514 CG GLN A 36 82.855 14.535 -3.584 1.00 0.00 C ATOM 515 CD GLN A 36 82.435 14.602 -5.049 1.00 0.00 C ATOM 516 OE1 GLN A 36 81.264 14.834 -5.350 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.327 14.413 -5.983 1.00 0.00 N ATOM 0 H GLN A 36 81.386 12.869 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 36 82.338 12.119 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 36 80.755 14.592 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.819 14.438 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 36 83.225 15.507 -3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.674 13.826 -3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 36 84.297 14.221 -5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.055 14.457 -6.965 1.00 0.00 H new ATOM 526 N GLU A 37 79.090 12.424 -2.776 1.00 0.00 N ATOM 527 CA GLU A 37 77.785 12.083 -2.219 1.00 0.00 C ATOM 528 C GLU A 37 77.700 10.594 -1.913 1.00 0.00 C ATOM 529 O GLU A 37 77.450 10.201 -0.773 1.00 0.00 O ATOM 530 CB GLU A 37 76.677 12.469 -3.201 1.00 0.00 C ATOM 531 CG GLU A 37 76.274 13.927 -2.975 1.00 0.00 C ATOM 532 CD GLU A 37 75.230 14.344 -4.005 1.00 0.00 C ATOM 533 OE1 GLU A 37 74.551 13.470 -4.518 1.00 0.00 O ATOM 534 OE2 GLU A 37 75.124 15.532 -4.264 1.00 0.00 O ATOM 0 H GLU A 37 79.061 12.849 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 37 77.656 12.639 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.022 12.331 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.814 11.818 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.874 14.051 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 37 77.150 14.571 -3.051 1.00 0.00 H new ATOM 541 N VAL A 38 77.915 9.769 -2.929 1.00 0.00 N ATOM 542 CA VAL A 38 77.863 8.327 -2.737 1.00 0.00 C ATOM 543 C VAL A 38 78.748 7.930 -1.564 1.00 0.00 C ATOM 544 O VAL A 38 78.408 7.034 -0.791 1.00 0.00 O ATOM 545 CB VAL A 38 78.330 7.616 -4.004 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.291 6.103 -3.787 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.408 7.989 -5.168 1.00 0.00 C ATOM 0 H VAL A 38 78.124 10.068 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 38 76.835 8.033 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 38 79.350 7.922 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.625 5.597 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.949 5.837 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.272 5.795 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.741 7.481 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.388 7.684 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.438 9.067 -5.325 1.00 0.00 H new ATOM 557 N GLN A 39 79.882 8.612 -1.430 1.00 0.00 N ATOM 558 CA GLN A 39 80.798 8.328 -0.336 1.00 0.00 C ATOM 559 C GLN A 39 80.099 8.571 0.996 1.00 0.00 C ATOM 560 O GLN A 39 80.332 7.855 1.970 1.00 0.00 O ATOM 561 CB GLN A 39 82.042 9.215 -0.438 1.00 0.00 C ATOM 562 CG GLN A 39 83.125 8.684 0.505 1.00 0.00 C ATOM 563 CD GLN A 39 83.710 9.829 1.322 1.00 0.00 C ATOM 564 OE1 GLN A 39 82.981 10.722 1.754 1.00 0.00 O ATOM 565 NE2 GLN A 39 84.993 9.856 1.564 1.00 0.00 N ATOM 0 H GLN A 39 80.184 9.356 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 39 81.106 7.284 -0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.411 9.226 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 39 81.791 10.243 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.703 7.930 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.913 8.197 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 85.595 9.115 1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 39 85.393 10.618 2.112 1.00 0.00 H new ATOM 574 N ASP A 40 79.226 9.577 1.027 1.00 0.00 N ATOM 575 CA ASP A 40 78.487 9.885 2.245 1.00 0.00 C ATOM 576 C ASP A 40 77.706 8.657 2.693 1.00 0.00 C ATOM 577 O ASP A 40 77.727 8.290 3.867 1.00 0.00 O ATOM 578 CB ASP A 40 77.528 11.051 1.999 1.00 0.00 C ATOM 579 CG ASP A 40 77.133 11.690 3.326 1.00 0.00 C ATOM 580 OD1 ASP A 40 78.022 12.134 4.036 1.00 0.00 O ATOM 581 OD2 ASP A 40 75.949 11.726 3.616 1.00 0.00 O ATOM 0 H ASP A 40 79.017 10.183 0.234 1.00 0.00 H new ATOM 0 HA ASP A 40 79.191 10.169 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 40 78.001 11.793 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.639 10.697 1.477 1.00 0.00 H new ATOM 586 N THR A 41 77.036 8.013 1.743 1.00 0.00 N ATOM 587 CA THR A 41 76.273 6.811 2.048 1.00 0.00 C ATOM 588 C THR A 41 77.221 5.722 2.524 1.00 0.00 C ATOM 589 O THR A 41 76.892 4.942 3.417 1.00 0.00 O ATOM 590 CB THR A 41 75.515 6.341 0.803 1.00 0.00 C ATOM 591 OG1 THR A 41 74.665 7.384 0.348 1.00 0.00 O ATOM 592 CG2 THR A 41 74.674 5.110 1.147 1.00 0.00 C ATOM 0 H THR A 41 77.006 8.301 0.765 1.00 0.00 H new ATOM 0 HA THR A 41 75.550 7.030 2.834 1.00 0.00 H new ATOM 0 HB THR A 41 76.228 6.083 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.180 7.086 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.136 4.778 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.326 4.310 1.497 1.00 0.00 H new ATOM 0 HG23 THR A 41 73.960 5.364 1.930 1.00 0.00 H new ATOM 600 N ALA A 42 78.411 5.692 1.934 1.00 0.00 N ATOM 601 CA ALA A 42 79.414 4.714 2.319 1.00 0.00 C ATOM 602 C ALA A 42 79.897 5.012 3.732 1.00 0.00 C ATOM 603 O ALA A 42 80.100 4.102 4.533 1.00 0.00 O ATOM 604 CB ALA A 42 80.595 4.758 1.348 1.00 0.00 C ATOM 0 H ALA A 42 78.701 6.330 1.193 1.00 0.00 H new ATOM 0 HA ALA A 42 78.971 3.718 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.340 4.021 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.246 4.533 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.042 5.752 1.364 1.00 0.00 H new ATOM 610 N ARG A 43 80.061 6.302 4.030 1.00 0.00 N ATOM 611 CA ARG A 43 80.505 6.731 5.353 1.00 0.00 C ATOM 612 C ARG A 43 79.640 6.083 6.431 1.00 0.00 C ATOM 613 O ARG A 43 80.098 5.847 7.549 1.00 0.00 O ATOM 614 CB ARG A 43 80.415 8.254 5.469 1.00 0.00 C ATOM 615 CG ARG A 43 81.030 8.708 6.795 1.00 0.00 C ATOM 616 CD ARG A 43 82.011 9.853 6.536 1.00 0.00 C ATOM 617 NE ARG A 43 82.632 10.279 7.786 1.00 0.00 N ATOM 618 CZ ARG A 43 82.069 11.212 8.548 1.00 0.00 C ATOM 619 NH1 ARG A 43 80.938 11.754 8.189 1.00 0.00 N ATOM 620 NH2 ARG A 43 82.648 11.584 9.656 1.00 0.00 N ATOM 0 H ARG A 43 79.893 7.064 3.374 1.00 0.00 H new ATOM 0 HA ARG A 43 81.541 6.422 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 43 80.937 8.723 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 43 79.374 8.572 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 43 80.246 9.034 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 43 81.545 7.875 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.778 9.532 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 43 81.488 10.692 6.077 1.00 0.00 H new ATOM 0 HE ARG A 43 83.512 9.854 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 43 80.485 11.462 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 43 80.507 12.470 8.774 1.00 0.00 H new ATOM 0 HH21 ARG A 43 83.532 11.159 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 43 82.217 12.300 10.241 1.00 0.00 H new ATOM 634 N GLY A 44 78.391 5.788 6.083 1.00 0.00 N ATOM 635 CA GLY A 44 77.475 5.154 7.027 1.00 0.00 C ATOM 636 C GLY A 44 77.888 3.707 7.300 1.00 0.00 C ATOM 637 O GLY A 44 77.920 3.266 8.448 1.00 0.00 O ATOM 0 H GLY A 44 77.992 5.975 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 44 77.463 5.715 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.461 5.178 6.628 1.00 0.00 H new ATOM 641 N GLN A 45 78.209 2.977 6.233 1.00 0.00 N ATOM 642 CA GLN A 45 78.626 1.578 6.365 1.00 0.00 C ATOM 643 C GLN A 45 79.854 1.474 7.264 1.00 0.00 C ATOM 644 O GLN A 45 79.880 0.679 8.200 1.00 0.00 O ATOM 645 CB GLN A 45 78.949 0.997 4.987 1.00 0.00 C ATOM 646 CG GLN A 45 77.743 1.173 4.063 1.00 0.00 C ATOM 647 CD GLN A 45 76.515 0.506 4.675 1.00 0.00 C ATOM 648 OE1 GLN A 45 75.744 1.155 5.383 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.287 -0.757 4.444 1.00 0.00 N ATOM 0 H GLN A 45 78.189 3.325 5.274 1.00 0.00 H new ATOM 0 HA GLN A 45 77.809 1.012 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.820 1.498 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.201 -0.060 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 45 77.549 2.234 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.956 0.737 3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 45 76.927 -1.292 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 45 75.468 -1.210 4.850 1.00 0.00 H new ATOM 658 N ILE A 46 80.861 2.290 6.979 1.00 0.00 N ATOM 659 CA ILE A 46 82.087 2.292 7.778 1.00 0.00 C ATOM 660 C ILE A 46 81.725 2.467 9.242 1.00 0.00 C ATOM 661 O ILE A 46 82.234 1.757 10.109 1.00 0.00 O ATOM 662 CB ILE A 46 83.014 3.425 7.299 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.145 4.532 8.358 1.00 0.00 C ATOM 664 CG2 ILE A 46 82.426 4.022 6.042 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.087 5.622 7.839 1.00 0.00 C ATOM 0 H ILE A 46 80.857 2.956 6.206 1.00 0.00 H new ATOM 0 HA ILE A 46 82.615 1.346 7.659 1.00 0.00 H new ATOM 0 HB ILE A 46 84.005 3.010 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 46 82.166 4.957 8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 46 83.530 4.116 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 46 83.069 4.827 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 46 82.351 3.252 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 46 81.434 4.418 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.182 6.408 8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.068 5.191 7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 46 83.683 6.044 6.919 1.00 0.00 H new ATOM 677 N ASN A 47 80.829 3.403 9.510 1.00 0.00 N ATOM 678 CA ASN A 47 80.392 3.643 10.872 1.00 0.00 C ATOM 679 C ASN A 47 79.762 2.374 11.419 1.00 0.00 C ATOM 680 O ASN A 47 79.906 2.043 12.589 1.00 0.00 O ATOM 681 CB ASN A 47 79.376 4.787 10.909 1.00 0.00 C ATOM 682 CG ASN A 47 79.104 5.198 12.353 1.00 0.00 C ATOM 683 OD1 ASN A 47 78.102 4.787 12.937 1.00 0.00 O ATOM 684 ND2 ASN A 47 79.943 5.990 12.965 1.00 0.00 N ATOM 0 H ASN A 47 80.395 4.003 8.809 1.00 0.00 H new ATOM 0 HA ASN A 47 81.250 3.923 11.484 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.755 5.639 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 47 78.448 4.475 10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 47 79.769 6.270 13.930 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.773 6.329 12.478 1.00 0.00 H new ATOM 691 N ASP A 48 79.069 1.660 10.552 1.00 0.00 N ATOM 692 CA ASP A 48 78.428 0.422 10.953 1.00 0.00 C ATOM 693 C ASP A 48 79.456 -0.684 11.141 1.00 0.00 C ATOM 694 O ASP A 48 79.408 -1.437 12.112 1.00 0.00 O ATOM 695 CB ASP A 48 77.422 -0.008 9.887 1.00 0.00 C ATOM 696 CG ASP A 48 76.570 1.179 9.451 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.525 2.153 10.185 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.973 1.098 8.391 1.00 0.00 O ATOM 0 H ASP A 48 78.936 1.913 9.573 1.00 0.00 H new ATOM 0 HA ASP A 48 77.917 0.595 11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.948 -0.421 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.782 -0.798 10.279 1.00 0.00 H new ATOM 703 N TYR A 49 80.371 -0.785 10.188 1.00 0.00 N ATOM 704 CA TYR A 49 81.395 -1.813 10.230 1.00 0.00 C ATOM 705 C TYR A 49 82.432 -1.526 11.312 1.00 0.00 C ATOM 706 O TYR A 49 82.707 -2.372 12.161 1.00 0.00 O ATOM 707 CB TYR A 49 82.094 -1.895 8.870 1.00 0.00 C ATOM 708 CG TYR A 49 82.940 -3.145 8.804 1.00 0.00 C ATOM 709 CD1 TYR A 49 82.340 -4.384 8.547 1.00 0.00 C ATOM 710 CD2 TYR A 49 84.323 -3.064 8.998 1.00 0.00 C ATOM 711 CE1 TYR A 49 83.126 -5.542 8.484 1.00 0.00 C ATOM 712 CE2 TYR A 49 85.109 -4.221 8.935 1.00 0.00 C ATOM 713 CZ TYR A 49 84.510 -5.460 8.679 1.00 0.00 C ATOM 714 OH TYR A 49 85.283 -6.601 8.616 1.00 0.00 O ATOM 0 H TYR A 49 80.424 -0.167 9.378 1.00 0.00 H new ATOM 0 HA TYR A 49 80.911 -2.761 10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.354 -1.903 8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.718 -1.014 8.718 1.00 0.00 H new ATOM 0 HD1 TYR A 49 81.272 -4.447 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 49 84.785 -2.108 9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 49 82.664 -6.498 8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 49 86.177 -4.158 9.084 1.00 0.00 H new ATOM 0 HH TYR A 49 85.509 -6.894 9.524 1.00 0.00 H new ATOM 724 N ILE A 50 83.022 -0.340 11.254 1.00 0.00 N ATOM 725 CA ILE A 50 84.056 0.046 12.210 1.00 0.00 C ATOM 726 C ILE A 50 83.495 0.382 13.595 1.00 0.00 C ATOM 727 O ILE A 50 84.231 0.332 14.580 1.00 0.00 O ATOM 728 CB ILE A 50 84.829 1.254 11.675 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.678 0.826 10.474 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.744 1.799 12.773 1.00 0.00 C ATOM 731 CD1 ILE A 50 85.777 1.981 9.473 1.00 0.00 C ATOM 0 H ILE A 50 82.804 0.372 10.557 1.00 0.00 H new ATOM 0 HA ILE A 50 84.715 -0.815 12.326 1.00 0.00 H new ATOM 0 HB ILE A 50 84.126 2.028 11.367 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.674 0.534 10.806 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.233 -0.046 9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.295 2.659 12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.143 2.102 13.630 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.447 1.024 13.079 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.382 1.673 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 50 84.778 2.252 9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 50 86.241 2.841 9.955 1.00 0.00 H new ATOM 743 N SER A 51 82.221 0.764 13.674 1.00 0.00 N ATOM 744 CA SER A 51 81.649 1.147 14.971 1.00 0.00 C ATOM 745 C SER A 51 80.626 0.147 15.516 1.00 0.00 C ATOM 746 O SER A 51 79.779 0.516 16.329 1.00 0.00 O ATOM 747 CB SER A 51 80.994 2.522 14.865 1.00 0.00 C ATOM 748 OG SER A 51 79.583 2.365 14.811 1.00 0.00 O ATOM 0 H SER A 51 81.579 0.817 12.883 1.00 0.00 H new ATOM 0 HA SER A 51 82.482 1.163 15.674 1.00 0.00 H new ATOM 0 HB2 SER A 51 81.271 3.137 15.721 1.00 0.00 H new ATOM 0 HB3 SER A 51 81.349 3.039 13.973 1.00 0.00 H new ATOM 0 HG SER A 51 79.284 2.413 13.879 1.00 0.00 H new ATOM 754 N ARG A 52 80.706 -1.112 15.106 1.00 0.00 N ATOM 755 CA ARG A 52 79.769 -2.111 15.622 1.00 0.00 C ATOM 756 C ARG A 52 79.988 -3.469 14.978 1.00 0.00 C ATOM 757 O ARG A 52 79.903 -4.501 15.646 1.00 0.00 O ATOM 758 CB ARG A 52 78.321 -1.675 15.378 1.00 0.00 C ATOM 759 CG ARG A 52 77.417 -2.916 15.359 1.00 0.00 C ATOM 760 CD ARG A 52 75.970 -2.513 15.645 1.00 0.00 C ATOM 761 NE ARG A 52 75.678 -2.652 17.067 1.00 0.00 N ATOM 762 CZ ARG A 52 74.645 -2.023 17.620 1.00 0.00 C ATOM 763 NH1 ARG A 52 73.876 -1.263 16.890 1.00 0.00 N ATOM 764 NH2 ARG A 52 74.403 -2.164 18.894 1.00 0.00 N ATOM 0 H ARG A 52 81.390 -1.463 14.435 1.00 0.00 H new ATOM 0 HA ARG A 52 79.953 -2.195 16.693 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.999 -0.987 16.160 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.244 -1.140 14.432 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.481 -3.408 14.388 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.757 -3.635 16.104 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.804 -1.482 15.332 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.290 -3.136 15.064 1.00 0.00 H new ATOM 0 HE ARG A 52 76.276 -3.241 17.647 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.067 -1.151 15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 52 73.084 -0.781 17.315 1.00 0.00 H new ATOM 0 HH21 ARG A 52 75.006 -2.756 19.465 1.00 0.00 H new ATOM 0 HH22 ARG A 52 73.611 -1.682 19.319 1.00 0.00 H new ATOM 778 N TYR A 53 80.238 -3.471 13.679 1.00 0.00 N ATOM 779 CA TYR A 53 80.430 -4.723 12.965 1.00 0.00 C ATOM 780 C TYR A 53 81.775 -4.752 12.246 1.00 0.00 C ATOM 781 O TYR A 53 81.836 -4.771 11.018 1.00 0.00 O ATOM 782 CB TYR A 53 79.284 -4.916 11.972 1.00 0.00 C ATOM 783 CG TYR A 53 79.146 -6.385 11.655 1.00 0.00 C ATOM 784 CD1 TYR A 53 78.362 -7.208 12.472 1.00 0.00 C ATOM 785 CD2 TYR A 53 79.809 -6.926 10.547 1.00 0.00 C ATOM 786 CE1 TYR A 53 78.241 -8.572 12.181 1.00 0.00 C ATOM 787 CE2 TYR A 53 79.689 -8.290 10.256 1.00 0.00 C ATOM 788 CZ TYR A 53 78.904 -9.113 11.073 1.00 0.00 C ATOM 789 OH TYR A 53 78.786 -10.458 10.786 1.00 0.00 O ATOM 0 H TYR A 53 80.312 -2.632 13.103 1.00 0.00 H new ATOM 0 HA TYR A 53 80.430 -5.541 13.685 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.354 -4.533 12.392 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.478 -4.351 11.060 1.00 0.00 H new ATOM 0 HD1 TYR A 53 77.851 -6.791 13.327 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.413 -6.291 9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 53 77.636 -9.207 12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 53 80.202 -8.707 9.402 1.00 0.00 H new ATOM 0 HH TYR A 53 79.086 -10.624 9.868 1.00 0.00 H new ATOM 799 N ARG A 54 82.852 -4.769 13.027 1.00 0.00 N ATOM 800 CA ARG A 54 84.198 -4.806 12.466 1.00 0.00 C ATOM 801 C ARG A 54 84.772 -6.217 12.556 1.00 0.00 C ATOM 802 O ARG A 54 85.432 -6.691 11.630 1.00 0.00 O ATOM 803 CB ARG A 54 85.109 -3.840 13.228 1.00 0.00 C ATOM 804 CG ARG A 54 86.471 -3.767 12.538 1.00 0.00 C ATOM 805 CD ARG A 54 87.323 -2.688 13.206 1.00 0.00 C ATOM 806 NE ARG A 54 88.711 -3.125 13.299 1.00 0.00 N ATOM 807 CZ ARG A 54 89.070 -4.101 14.126 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.174 -4.689 14.872 1.00 0.00 N ATOM 809 NH2 ARG A 54 90.319 -4.470 14.194 1.00 0.00 N ATOM 0 H ARG A 54 82.819 -4.758 14.046 1.00 0.00 H new ATOM 0 HA ARG A 54 84.144 -4.508 11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 54 84.655 -2.850 13.265 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.230 -4.174 14.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 86.974 -4.732 12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 54 86.343 -3.541 11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 54 87.264 -1.762 12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.935 -2.473 14.202 1.00 0.00 H new ATOM 0 HE ARG A 54 89.419 -2.674 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.197 -4.399 14.820 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.451 -5.438 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 54 91.019 -4.009 13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 54 90.596 -5.219 14.829 1.00 0.00 H new ATOM 823 N ARG A 55 84.518 -6.878 13.680 1.00 0.00 N ATOM 824 CA ARG A 55 85.013 -8.233 13.892 1.00 0.00 C ATOM 825 C ARG A 55 84.492 -9.174 12.809 1.00 0.00 C ATOM 826 O ARG A 55 83.315 -9.535 12.798 1.00 0.00 O ATOM 827 CB ARG A 55 84.572 -8.736 15.268 1.00 0.00 C ATOM 828 CG ARG A 55 84.903 -7.679 16.325 1.00 0.00 C ATOM 829 CD ARG A 55 84.381 -8.133 17.689 1.00 0.00 C ATOM 830 NE ARG A 55 84.271 -6.992 18.592 1.00 0.00 N ATOM 831 CZ ARG A 55 83.954 -7.156 19.873 1.00 0.00 C ATOM 832 NH1 ARG A 55 83.738 -8.354 20.344 1.00 0.00 N ATOM 833 NH2 ARG A 55 83.858 -6.118 20.659 1.00 0.00 N ATOM 0 H ARG A 55 83.974 -6.499 14.456 1.00 0.00 H new ATOM 0 HA ARG A 55 86.102 -8.215 13.842 1.00 0.00 H new ATOM 0 HB2 ARG A 55 83.502 -8.942 15.266 1.00 0.00 H new ATOM 0 HB3 ARG A 55 85.077 -9.673 15.504 1.00 0.00 H new ATOM 0 HG2 ARG A 55 85.981 -7.522 16.371 1.00 0.00 H new ATOM 0 HG3 ARG A 55 84.453 -6.724 16.052 1.00 0.00 H new ATOM 0 HD2 ARG A 55 83.408 -8.610 17.574 1.00 0.00 H new ATOM 0 HD3 ARG A 55 85.053 -8.879 18.114 1.00 0.00 H new ATOM 0 HE ARG A 55 84.440 -6.052 18.234 1.00 0.00 H new ATOM 0 HH11 ARG A 55 83.812 -9.165 19.729 1.00 0.00 H new ATOM 0 HH12 ARG A 55 83.495 -8.479 21.327 1.00 0.00 H new ATOM 0 HH21 ARG A 55 84.026 -5.182 20.290 1.00 0.00 H new ATOM 0 HH22 ARG A 55 83.615 -6.243 21.642 1.00 0.00 H new ATOM 847 N LYS A 56 85.378 -9.567 11.899 1.00 0.00 N ATOM 848 CA LYS A 56 85.001 -10.466 10.814 1.00 0.00 C ATOM 849 C LYS A 56 85.528 -11.873 11.080 1.00 0.00 C ATOM 850 O LYS A 56 86.245 -12.104 12.053 1.00 0.00 O ATOM 851 CB LYS A 56 85.566 -9.951 9.489 1.00 0.00 C ATOM 852 CG LYS A 56 84.419 -9.501 8.584 1.00 0.00 C ATOM 853 CD LYS A 56 84.971 -9.118 7.209 1.00 0.00 C ATOM 854 CE LYS A 56 84.889 -10.324 6.271 1.00 0.00 C ATOM 855 NZ LYS A 56 85.926 -10.198 5.208 1.00 0.00 N ATOM 0 H LYS A 56 86.356 -9.279 11.891 1.00 0.00 H new ATOM 0 HA LYS A 56 83.913 -10.501 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 56 86.247 -9.120 9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.144 -10.735 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.686 -10.302 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.903 -8.651 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.403 -8.284 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 56 86.005 -8.785 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.039 -11.246 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 56 83.898 -10.382 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 85.871 -11.018 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.763 -9.326 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 86.869 -10.163 5.645 1.00 0.00 H new ATOM 869 N GLY A 57 85.169 -12.808 10.207 1.00 0.00 N ATOM 870 CA GLY A 57 85.614 -14.188 10.358 1.00 0.00 C ATOM 871 C GLY A 57 87.106 -14.248 10.668 1.00 0.00 C ATOM 872 O GLY A 57 87.938 -14.238 9.762 1.00 0.00 O ATOM 0 H GLY A 57 84.576 -12.638 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.053 -14.670 11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.406 -14.744 9.444 1.00 0.00 H new ATOM 876 N ASP A 58 87.434 -14.308 11.954 1.00 0.00 N ATOM 877 CA ASP A 58 88.829 -14.368 12.374 1.00 0.00 C ATOM 878 C ASP A 58 89.397 -15.767 12.155 1.00 0.00 C ATOM 879 O ASP A 58 88.935 -16.736 12.758 1.00 0.00 O ATOM 880 CB ASP A 58 88.945 -13.993 13.853 1.00 0.00 C ATOM 881 CG ASP A 58 87.876 -14.724 14.658 1.00 0.00 C ATOM 882 OD1 ASP A 58 87.398 -15.742 14.185 1.00 0.00 O ATOM 883 OD2 ASP A 58 87.551 -14.255 15.737 1.00 0.00 O ATOM 0 H ASP A 58 86.759 -14.316 12.718 1.00 0.00 H new ATOM 0 HA ASP A 58 89.400 -13.660 11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 58 89.935 -14.253 14.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 88.831 -12.916 13.974 1.00 0.00 H new ATOM 912 N LEU A 62 93.263 -11.928 7.890 1.00 0.00 N ATOM 913 CA LEU A 62 93.091 -12.061 6.448 1.00 0.00 C ATOM 914 C LEU A 62 93.421 -10.750 5.742 1.00 0.00 C ATOM 915 O LEU A 62 93.571 -9.707 6.382 1.00 0.00 O ATOM 916 CB LEU A 62 91.651 -12.466 6.128 1.00 0.00 C ATOM 917 CG LEU A 62 90.772 -12.251 7.361 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.299 -12.354 6.963 1.00 0.00 C ATOM 919 CD2 LEU A 62 91.092 -13.322 8.406 1.00 0.00 C ATOM 0 HA LEU A 62 93.774 -12.833 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.274 -11.876 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.616 -13.511 5.822 1.00 0.00 H new ATOM 0 HG LEU A 62 90.967 -11.263 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.673 -12.201 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.070 -11.593 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.103 -13.342 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 62 90.466 -13.170 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 62 90.896 -14.309 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 62 92.142 -13.250 8.691 1.00 0.00 H new ATOM 931 N LYS A 63 93.534 -10.811 4.420 1.00 0.00 N ATOM 932 CA LYS A 63 93.849 -9.627 3.629 1.00 0.00 C ATOM 933 C LYS A 63 92.572 -8.894 3.228 1.00 0.00 C ATOM 934 O LYS A 63 92.573 -7.676 3.054 1.00 0.00 O ATOM 935 CB LYS A 63 94.618 -10.034 2.371 1.00 0.00 C ATOM 936 CG LYS A 63 94.063 -11.364 1.849 1.00 0.00 C ATOM 937 CD LYS A 63 94.372 -11.506 0.357 1.00 0.00 C ATOM 938 CE LYS A 63 93.610 -12.706 -0.208 1.00 0.00 C ATOM 939 NZ LYS A 63 94.322 -13.229 -1.407 1.00 0.00 N ATOM 0 H LYS A 63 93.413 -11.665 3.875 1.00 0.00 H new ATOM 0 HA LYS A 63 94.463 -8.960 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.524 -9.262 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.680 -10.132 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 94.504 -12.194 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 63 92.986 -11.408 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.086 -10.597 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.444 -11.638 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 63 93.528 -13.487 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.595 -12.412 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.803 -14.045 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 94.378 -12.484 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.282 -13.524 -1.139 1.00 0.00 H new ATOM 953 N SER A 64 91.489 -9.647 3.076 1.00 0.00 N ATOM 954 CA SER A 64 90.210 -9.063 2.688 1.00 0.00 C ATOM 955 C SER A 64 89.774 -7.995 3.688 1.00 0.00 C ATOM 956 O SER A 64 89.342 -6.909 3.300 1.00 0.00 O ATOM 957 CB SER A 64 89.143 -10.154 2.611 1.00 0.00 C ATOM 958 OG SER A 64 88.809 -10.389 1.249 1.00 0.00 O ATOM 0 H SER A 64 91.470 -10.657 3.214 1.00 0.00 H new ATOM 0 HA SER A 64 90.330 -8.597 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.511 -11.071 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.256 -9.851 3.168 1.00 0.00 H new ATOM 0 HG SER A 64 88.126 -11.090 1.196 1.00 0.00 H new ATOM 964 N PHE A 65 89.883 -8.311 4.975 1.00 0.00 N ATOM 965 CA PHE A 65 89.491 -7.370 6.018 1.00 0.00 C ATOM 966 C PHE A 65 90.527 -6.257 6.163 1.00 0.00 C ATOM 967 O PHE A 65 90.175 -5.089 6.329 1.00 0.00 O ATOM 968 CB PHE A 65 89.337 -8.103 7.352 1.00 0.00 C ATOM 969 CG PHE A 65 89.680 -7.163 8.483 1.00 0.00 C ATOM 970 CD1 PHE A 65 91.003 -7.057 8.927 1.00 0.00 C ATOM 971 CD2 PHE A 65 88.675 -6.399 9.086 1.00 0.00 C ATOM 972 CE1 PHE A 65 91.321 -6.185 9.975 1.00 0.00 C ATOM 973 CE2 PHE A 65 88.992 -5.527 10.134 1.00 0.00 C ATOM 974 CZ PHE A 65 90.316 -5.419 10.579 1.00 0.00 C ATOM 0 H PHE A 65 90.237 -9.204 5.318 1.00 0.00 H new ATOM 0 HA PHE A 65 88.538 -6.924 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.316 -8.467 7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 65 89.991 -8.975 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 65 91.778 -7.648 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 65 87.654 -6.482 8.743 1.00 0.00 H new ATOM 0 HE1 PHE A 65 92.342 -6.103 10.318 1.00 0.00 H new ATOM 0 HE2 PHE A 65 88.216 -4.937 10.600 1.00 0.00 H new ATOM 0 HZ PHE A 65 90.561 -4.746 11.387 1.00 0.00 H new ATOM 984 N THR A 66 91.802 -6.627 6.105 1.00 0.00 N ATOM 985 CA THR A 66 92.876 -5.646 6.235 1.00 0.00 C ATOM 986 C THR A 66 92.817 -4.628 5.101 1.00 0.00 C ATOM 987 O THR A 66 93.178 -3.465 5.282 1.00 0.00 O ATOM 988 CB THR A 66 94.234 -6.353 6.221 1.00 0.00 C ATOM 989 OG1 THR A 66 94.202 -7.455 7.117 1.00 0.00 O ATOM 990 CG2 THR A 66 95.326 -5.373 6.651 1.00 0.00 C ATOM 0 H THR A 66 92.116 -7.588 5.970 1.00 0.00 H new ATOM 0 HA THR A 66 92.749 -5.122 7.182 1.00 0.00 H new ATOM 0 HB THR A 66 94.448 -6.711 5.214 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.293 -8.290 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.292 -5.877 6.641 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.350 -4.529 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.116 -5.013 7.658 1.00 0.00 H new ATOM 998 N THR A 67 92.355 -5.069 3.938 1.00 0.00 N ATOM 999 CA THR A 67 92.246 -4.193 2.791 1.00 0.00 C ATOM 1000 C THR A 67 91.165 -3.147 3.028 1.00 0.00 C ATOM 1001 O THR A 67 91.313 -1.986 2.645 1.00 0.00 O ATOM 1002 CB THR A 67 91.890 -5.024 1.564 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.147 -6.165 1.970 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.163 -5.474 0.843 1.00 0.00 C ATOM 0 H THR A 67 92.051 -6.028 3.770 1.00 0.00 H new ATOM 0 HA THR A 67 93.198 -3.685 2.634 1.00 0.00 H new ATOM 0 HB THR A 67 91.294 -4.417 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 67 91.747 -6.936 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.896 -6.067 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.732 -4.599 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.770 -6.077 1.518 1.00 0.00 H new ATOM 1012 N MET A 68 90.076 -3.571 3.661 1.00 0.00 N ATOM 1013 CA MET A 68 88.969 -2.668 3.944 1.00 0.00 C ATOM 1014 C MET A 68 89.477 -1.401 4.622 1.00 0.00 C ATOM 1015 O MET A 68 89.115 -0.293 4.235 1.00 0.00 O ATOM 1016 CB MET A 68 87.950 -3.363 4.850 1.00 0.00 C ATOM 1017 CG MET A 68 86.529 -3.032 4.383 1.00 0.00 C ATOM 1018 SD MET A 68 85.378 -3.235 5.765 1.00 0.00 S ATOM 1019 CE MET A 68 84.239 -4.380 4.950 1.00 0.00 C ATOM 0 H MET A 68 89.938 -4.528 3.985 1.00 0.00 H new ATOM 0 HA MET A 68 88.491 -2.397 3.003 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.107 -4.441 4.829 1.00 0.00 H new ATOM 0 HB3 MET A 68 88.088 -3.040 5.882 1.00 0.00 H new ATOM 0 HG2 MET A 68 86.487 -2.010 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.244 -3.686 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.434 -4.643 5.637 1.00 0.00 H new ATOM 0 HE2 MET A 68 83.819 -3.906 4.063 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.777 -5.282 4.659 1.00 0.00 H new ATOM 1029 N GLN A 69 90.322 -1.571 5.636 1.00 0.00 N ATOM 1030 CA GLN A 69 90.872 -0.427 6.356 1.00 0.00 C ATOM 1031 C GLN A 69 91.982 0.236 5.549 1.00 0.00 C ATOM 1032 O GLN A 69 92.323 1.396 5.782 1.00 0.00 O ATOM 1033 CB GLN A 69 91.421 -0.877 7.712 1.00 0.00 C ATOM 1034 CG GLN A 69 90.951 0.093 8.798 1.00 0.00 C ATOM 1035 CD GLN A 69 91.521 -0.323 10.150 1.00 0.00 C ATOM 1036 OE1 GLN A 69 92.689 -0.903 10.203 1.00 0.00 O flip ATOM 1037 NE2 GLN A 69 90.888 -0.113 11.183 1.00 0.00 N flip ATOM 0 H GLN A 69 90.638 -2.480 5.974 1.00 0.00 H new ATOM 0 HA GLN A 69 90.072 0.297 6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.079 -1.887 7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.510 -0.908 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 69 91.271 1.106 8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 69 89.862 0.104 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 69 89.975 0.340 11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 69 91.275 -0.392 12.084 1.00 0.00 H new ATOM 1046 N THR A 70 92.544 -0.503 4.600 1.00 0.00 N ATOM 1047 CA THR A 70 93.617 0.032 3.768 1.00 0.00 C ATOM 1048 C THR A 70 93.059 0.997 2.726 1.00 0.00 C ATOM 1049 O THR A 70 93.564 2.107 2.562 1.00 0.00 O ATOM 1050 CB THR A 70 94.355 -1.111 3.069 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.636 -2.137 4.011 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.663 -0.586 2.478 1.00 0.00 C ATOM 0 H THR A 70 92.279 -1.465 4.388 1.00 0.00 H new ATOM 0 HA THR A 70 94.313 0.574 4.409 1.00 0.00 H new ATOM 0 HB THR A 70 93.732 -1.513 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 70 93.811 -2.621 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.190 -1.400 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.446 0.201 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.288 -0.185 3.276 1.00 0.00 H new ATOM 1060 N ALA A 71 92.017 0.566 2.020 1.00 0.00 N ATOM 1061 CA ALA A 71 91.406 1.407 0.994 1.00 0.00 C ATOM 1062 C ALA A 71 90.568 2.520 1.624 1.00 0.00 C ATOM 1063 O ALA A 71 90.468 3.614 1.069 1.00 0.00 O ATOM 1064 CB ALA A 71 90.533 0.562 0.064 1.00 0.00 C ATOM 0 H ALA A 71 91.582 -0.349 2.137 1.00 0.00 H new ATOM 0 HA ALA A 71 92.207 1.865 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.084 1.202 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.146 -0.199 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.746 0.079 0.643 1.00 0.00 H new ATOM 1070 N LEU A 72 89.963 2.237 2.776 1.00 0.00 N ATOM 1071 CA LEU A 72 89.135 3.234 3.451 1.00 0.00 C ATOM 1072 C LEU A 72 89.913 4.531 3.633 1.00 0.00 C ATOM 1073 O LEU A 72 89.435 5.608 3.275 1.00 0.00 O ATOM 1074 CB LEU A 72 88.689 2.712 4.818 1.00 0.00 C ATOM 1075 CG LEU A 72 87.692 3.692 5.438 1.00 0.00 C ATOM 1076 CD1 LEU A 72 86.292 3.076 5.426 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.104 3.991 6.881 1.00 0.00 C ATOM 0 H LEU A 72 90.029 1.339 3.256 1.00 0.00 H new ATOM 0 HA LEU A 72 88.257 3.426 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.231 1.729 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 72 89.552 2.592 5.473 1.00 0.00 H new ATOM 0 HG LEU A 72 87.686 4.616 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 85.583 3.776 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 72 85.998 2.862 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.297 2.151 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.394 4.689 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 88.110 3.065 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.101 4.431 6.891 1.00 0.00 H new ATOM 1089 N ASN A 73 91.117 4.422 4.178 1.00 0.00 N ATOM 1090 CA ASN A 73 91.954 5.596 4.385 1.00 0.00 C ATOM 1091 C ASN A 73 92.355 6.198 3.042 1.00 0.00 C ATOM 1092 O ASN A 73 92.559 7.407 2.928 1.00 0.00 O ATOM 1093 CB ASN A 73 93.208 5.215 5.175 1.00 0.00 C ATOM 1094 CG ASN A 73 93.917 6.473 5.665 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.244 6.583 6.846 1.00 0.00 O ATOM 1096 ND2 ASN A 73 94.173 7.436 4.821 1.00 0.00 N ATOM 0 H ASN A 73 91.533 3.542 4.482 1.00 0.00 H new ATOM 0 HA ASN A 73 91.386 6.334 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 73 92.937 4.587 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 73 93.880 4.630 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 73 94.645 8.282 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 73 93.901 7.342 3.842 1.00 0.00 H new ATOM 1103 N SER A 74 92.477 5.342 2.032 1.00 0.00 N ATOM 1104 CA SER A 74 92.868 5.791 0.699 1.00 0.00 C ATOM 1105 C SER A 74 91.769 6.626 0.041 1.00 0.00 C ATOM 1106 O SER A 74 91.999 7.777 -0.327 1.00 0.00 O ATOM 1107 CB SER A 74 93.186 4.582 -0.180 1.00 0.00 C ATOM 1108 OG SER A 74 94.027 3.690 0.538 1.00 0.00 O ATOM 0 H SER A 74 92.312 4.338 2.110 1.00 0.00 H new ATOM 0 HA SER A 74 93.753 6.419 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.265 4.077 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.677 4.904 -1.098 1.00 0.00 H new ATOM 0 HG SER A 74 93.504 3.230 1.227 1.00 0.00 H new ATOM 1114 N LEU A 75 90.578 6.048 -0.113 1.00 0.00 N ATOM 1115 CA LEU A 75 89.479 6.778 -0.741 1.00 0.00 C ATOM 1116 C LEU A 75 89.161 8.047 0.045 1.00 0.00 C ATOM 1117 O LEU A 75 88.612 9.004 -0.501 1.00 0.00 O ATOM 1118 CB LEU A 75 88.212 5.913 -0.840 1.00 0.00 C ATOM 1119 CG LEU A 75 87.920 5.217 0.494 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.816 5.974 1.234 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.456 3.781 0.227 1.00 0.00 C ATOM 0 H LEU A 75 90.353 5.098 0.181 1.00 0.00 H new ATOM 0 HA LEU A 75 89.800 7.042 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.363 6.535 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.337 5.167 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 75 88.824 5.204 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.608 5.479 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.140 6.998 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.912 5.986 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.248 3.284 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.551 3.798 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.239 3.238 -0.303 1.00 0.00 H new ATOM 1133 N ALA A 76 89.504 8.044 1.327 1.00 0.00 N ATOM 1134 CA ALA A 76 89.246 9.199 2.181 1.00 0.00 C ATOM 1135 C ALA A 76 90.098 10.391 1.754 1.00 0.00 C ATOM 1136 O ALA A 76 89.653 11.537 1.818 1.00 0.00 O ATOM 1137 CB ALA A 76 89.551 8.849 3.638 1.00 0.00 C ATOM 0 H ALA A 76 89.958 7.261 1.797 1.00 0.00 H new ATOM 0 HA ALA A 76 88.194 9.468 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.356 9.716 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.917 8.021 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.598 8.560 3.731 1.00 0.00 H new ATOM 1143 N GLY A 77 91.322 10.115 1.322 1.00 0.00 N ATOM 1144 CA GLY A 77 92.227 11.175 0.892 1.00 0.00 C ATOM 1145 C GLY A 77 91.729 11.833 -0.391 1.00 0.00 C ATOM 1146 O GLY A 77 91.973 13.016 -0.627 1.00 0.00 O ATOM 0 H GLY A 77 91.710 9.174 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.315 11.924 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.224 10.764 0.731 1.00 0.00 H new ATOM 1150 N TYR A 78 91.034 11.058 -1.216 1.00 0.00 N ATOM 1151 CA TYR A 78 90.508 11.576 -2.475 1.00 0.00 C ATOM 1152 C TYR A 78 89.440 12.635 -2.223 1.00 0.00 C ATOM 1153 O TYR A 78 89.228 13.523 -3.048 1.00 0.00 O ATOM 1154 CB TYR A 78 89.905 10.436 -3.298 1.00 0.00 C ATOM 1155 CG TYR A 78 89.091 11.013 -4.432 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.736 11.603 -5.526 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.693 10.954 -4.392 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.982 12.136 -6.579 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.940 11.487 -5.444 1.00 0.00 C ATOM 1160 CZ TYR A 78 87.584 12.077 -6.538 1.00 0.00 C ATOM 1161 OH TYR A 78 86.842 12.601 -7.576 1.00 0.00 O ATOM 0 H TYR A 78 90.822 10.076 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 78 91.332 12.031 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.697 9.798 -3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.276 9.810 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.815 11.647 -5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.196 10.497 -3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 78 89.479 12.592 -7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.861 11.443 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 78 86.148 13.192 -7.216 1.00 0.00 H new ATOM 1171 N TYR A 79 88.764 12.531 -1.083 1.00 0.00 N ATOM 1172 CA TYR A 79 87.714 13.484 -0.743 1.00 0.00 C ATOM 1173 C TYR A 79 88.200 14.482 0.305 1.00 0.00 C ATOM 1174 O TYR A 79 87.763 15.632 0.327 1.00 0.00 O ATOM 1175 CB TYR A 79 86.489 12.740 -0.209 1.00 0.00 C ATOM 1176 CG TYR A 79 86.010 13.407 1.057 1.00 0.00 C ATOM 1177 CD1 TYR A 79 86.654 13.144 2.271 1.00 0.00 C ATOM 1178 CD2 TYR A 79 84.923 14.288 1.017 1.00 0.00 C ATOM 1179 CE1 TYR A 79 86.211 13.763 3.446 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.480 14.907 2.192 1.00 0.00 C ATOM 1181 CZ TYR A 79 85.124 14.645 3.407 1.00 0.00 C ATOM 1182 OH TYR A 79 84.689 15.254 4.566 1.00 0.00 O ATOM 0 H TYR A 79 88.922 11.804 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 79 87.447 14.032 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.695 12.740 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.740 11.698 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 79 87.492 12.464 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 79 84.426 14.490 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 79 86.708 13.560 4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 79 83.641 15.587 2.161 1.00 0.00 H new ATOM 0 HH TYR A 79 83.927 15.836 4.364 1.00 0.00 H new ATOM 1192 N THR A 80 89.100 14.033 1.174 1.00 0.00 N ATOM 1193 CA THR A 80 89.632 14.898 2.223 1.00 0.00 C ATOM 1194 C THR A 80 89.797 16.326 1.709 1.00 0.00 C ATOM 1195 O THR A 80 88.875 17.137 1.799 1.00 0.00 O ATOM 1196 CB THR A 80 90.983 14.364 2.706 1.00 0.00 C ATOM 1197 OG1 THR A 80 90.818 13.044 3.204 1.00 0.00 O ATOM 1198 CG2 THR A 80 91.524 15.266 3.815 1.00 0.00 C ATOM 0 H THR A 80 89.474 13.084 1.174 1.00 0.00 H new ATOM 0 HA THR A 80 88.928 14.905 3.055 1.00 0.00 H new ATOM 0 HB THR A 80 91.688 14.353 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.002 12.652 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 80 92.486 14.884 4.158 1.00 0.00 H new ATOM 0 HG22 THR A 80 91.651 16.278 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 80 90.821 15.280 4.648 1.00 0.00 H new ATOM 1206 N SER A 81 90.973 16.625 1.169 1.00 0.00 N ATOM 1207 CA SER A 81 91.245 17.958 0.642 1.00 0.00 C ATOM 1208 C SER A 81 92.245 17.884 -0.507 1.00 0.00 C ATOM 1209 O SER A 81 93.196 18.663 -0.566 1.00 0.00 O ATOM 1210 CB SER A 81 91.799 18.855 1.749 1.00 0.00 C ATOM 1211 OG SER A 81 93.199 18.642 1.868 1.00 0.00 O ATOM 0 H SER A 81 91.749 15.968 1.085 1.00 0.00 H new ATOM 0 HA SER A 81 90.311 18.379 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 81 91.597 19.901 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 81 91.304 18.634 2.695 1.00 0.00 H new ATOM 0 HG SER A 81 93.659 19.058 1.109 1.00 0.00 H new ATOM 1217 N TYR A 82 92.024 16.942 -1.418 1.00 0.00 N ATOM 1218 CA TYR A 82 92.913 16.775 -2.563 1.00 0.00 C ATOM 1219 C TYR A 82 92.347 17.481 -3.791 1.00 0.00 C ATOM 1220 O TYR A 82 92.965 18.399 -4.330 1.00 0.00 O ATOM 1221 CB TYR A 82 93.099 15.287 -2.869 1.00 0.00 C ATOM 1222 CG TYR A 82 94.563 15.000 -3.105 1.00 0.00 C ATOM 1223 CD1 TYR A 82 95.282 15.751 -4.042 1.00 0.00 C ATOM 1224 CD2 TYR A 82 95.200 13.982 -2.385 1.00 0.00 C ATOM 1225 CE1 TYR A 82 96.639 15.484 -4.260 1.00 0.00 C ATOM 1226 CE2 TYR A 82 96.558 13.715 -2.604 1.00 0.00 C ATOM 1227 CZ TYR A 82 97.277 14.466 -3.541 1.00 0.00 C ATOM 1228 OH TYR A 82 98.615 14.203 -3.757 1.00 0.00 O ATOM 0 H TYR A 82 91.243 16.287 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 82 93.877 17.219 -2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 82 92.729 14.685 -2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 82 92.517 15.010 -3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 82 94.790 16.536 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 82 94.645 13.403 -1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 82 97.194 16.063 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 82 97.050 12.930 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 82 98.902 13.467 -3.176 1.00 0.00 H new ATOM 1238 N GLY A 83 91.170 17.046 -4.228 1.00 0.00 N ATOM 1239 CA GLY A 83 90.533 17.644 -5.395 1.00 0.00 C ATOM 1240 C GLY A 83 89.169 17.013 -5.658 1.00 0.00 C ATOM 1241 O GLY A 83 88.485 16.581 -4.731 1.00 0.00 O ATOM 0 H GLY A 83 90.642 16.288 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.417 18.717 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.172 17.515 -6.269 1.00 0.00 H new ATOM 1245 N ALA A 84 88.780 16.965 -6.929 1.00 0.00 N ATOM 1246 CA ALA A 84 87.494 16.386 -7.305 1.00 0.00 C ATOM 1247 C ALA A 84 87.497 15.990 -8.778 1.00 0.00 C ATOM 1248 O ALA A 84 86.623 16.398 -9.543 1.00 0.00 O ATOM 1249 CB ALA A 84 86.370 17.390 -7.048 1.00 0.00 C ATOM 0 H ALA A 84 89.332 17.317 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 84 87.328 15.495 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.415 16.948 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 84 86.349 17.650 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.543 18.289 -7.639 1.00 0.00 H new ATOM 1255 N ARG A 85 88.486 15.191 -9.166 1.00 0.00 N ATOM 1256 CA ARG A 85 88.596 14.741 -10.549 1.00 0.00 C ATOM 1257 C ARG A 85 89.877 13.932 -10.751 1.00 0.00 C ATOM 1258 O ARG A 85 89.838 12.823 -11.283 1.00 0.00 O ATOM 1259 CB ARG A 85 88.588 15.942 -11.498 1.00 0.00 C ATOM 1260 CG ARG A 85 87.355 15.874 -12.401 1.00 0.00 C ATOM 1261 CD ARG A 85 87.347 17.077 -13.346 1.00 0.00 C ATOM 1262 NE ARG A 85 88.289 16.865 -14.440 1.00 0.00 N ATOM 1263 CZ ARG A 85 88.288 17.653 -15.509 1.00 0.00 C ATOM 1264 NH1 ARG A 85 87.430 18.633 -15.597 1.00 0.00 N ATOM 1265 NH2 ARG A 85 89.143 17.445 -16.474 1.00 0.00 N ATOM 0 H ARG A 85 89.218 14.844 -8.547 1.00 0.00 H new ATOM 0 HA ARG A 85 87.740 14.104 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 85 88.582 16.870 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.495 15.946 -12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.362 14.947 -12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 85 86.448 15.867 -11.796 1.00 0.00 H new ATOM 0 HD2 ARG A 85 86.344 17.229 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 85 87.612 17.981 -12.798 1.00 0.00 H new ATOM 0 HE ARG A 85 88.960 16.099 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.760 18.794 -14.845 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.429 19.238 -16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 85 89.811 16.677 -16.407 1.00 0.00 H new ATOM 0 HH22 ARG A 85 89.142 18.050 -17.295 1.00 0.00 H new ATOM 1279 N PRO A 86 91.002 14.459 -10.336 1.00 0.00 N ATOM 1280 CA PRO A 86 92.310 13.764 -10.473 1.00 0.00 C ATOM 1281 C PRO A 86 92.554 12.771 -9.338 1.00 0.00 C ATOM 1282 O PRO A 86 92.524 13.139 -8.164 1.00 0.00 O ATOM 1283 CB PRO A 86 93.317 14.910 -10.422 1.00 0.00 C ATOM 1284 CG PRO A 86 92.676 15.955 -9.565 1.00 0.00 C ATOM 1285 CD PRO A 86 91.158 15.775 -9.690 1.00 0.00 C ATOM 0 HA PRO A 86 92.373 13.168 -11.384 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.267 14.582 -9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.528 15.294 -11.420 1.00 0.00 H new ATOM 0 HG2 PRO A 86 92.992 15.849 -8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.973 16.953 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 86 90.672 15.800 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 86 90.711 16.568 -10.289 1.00 0.00 H new ATOM 1293 N ILE A 87 92.792 11.513 -9.696 1.00 0.00 N ATOM 1294 CA ILE A 87 93.036 10.479 -8.698 1.00 0.00 C ATOM 1295 C ILE A 87 94.491 10.004 -8.752 1.00 0.00 C ATOM 1296 O ILE A 87 94.845 9.201 -9.615 1.00 0.00 O ATOM 1297 CB ILE A 87 92.118 9.284 -8.953 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.719 9.780 -9.321 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.035 8.427 -7.689 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.782 8.581 -9.455 1.00 0.00 C ATOM 0 H ILE A 87 92.821 11.187 -10.662 1.00 0.00 H new ATOM 0 HA ILE A 87 92.834 10.903 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 87 92.520 8.689 -9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.349 10.463 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.752 10.338 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.380 7.574 -7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.031 8.071 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.635 9.024 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.783 8.928 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.152 7.916 -10.235 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.742 8.043 -8.508 1.00 0.00 H new ATOM 1312 N PRO A 88 95.336 10.467 -7.861 1.00 0.00 N ATOM 1313 CA PRO A 88 96.766 10.050 -7.841 1.00 0.00 C ATOM 1314 C PRO A 88 96.915 8.536 -7.954 1.00 0.00 C ATOM 1315 O PRO A 88 96.188 7.783 -7.307 1.00 0.00 O ATOM 1316 CB PRO A 88 97.275 10.553 -6.489 1.00 0.00 C ATOM 1317 CG PRO A 88 96.394 11.706 -6.143 1.00 0.00 C ATOM 1318 CD PRO A 88 95.034 11.427 -6.784 1.00 0.00 C ATOM 0 HA PRO A 88 97.326 10.456 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.217 9.772 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.319 10.860 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.299 11.810 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.814 12.640 -6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.331 11.009 -6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.584 12.339 -7.177 1.00 0.00 H new ATOM 1326 N GLU A 89 97.854 8.098 -8.782 1.00 0.00 N ATOM 1327 CA GLU A 89 98.082 6.673 -8.974 1.00 0.00 C ATOM 1328 C GLU A 89 98.036 5.940 -7.641 1.00 0.00 C ATOM 1329 O GLU A 89 97.750 4.751 -7.590 1.00 0.00 O ATOM 1330 CB GLU A 89 99.442 6.448 -9.638 1.00 0.00 C ATOM 1331 CG GLU A 89 99.515 7.255 -10.935 1.00 0.00 C ATOM 1332 CD GLU A 89 100.650 6.736 -11.809 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.116 5.639 -11.550 1.00 0.00 O ATOM 1334 OE2 GLU A 89 101.036 7.442 -12.725 1.00 0.00 O ATOM 0 H GLU A 89 98.466 8.704 -9.328 1.00 0.00 H new ATOM 0 HA GLU A 89 97.295 6.280 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 89 100.243 6.751 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.585 5.388 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 89 98.569 7.182 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 89 99.673 8.309 -10.708 1.00 0.00 H new ATOM 1341 N LYS A 90 98.314 6.658 -6.563 1.00 0.00 N ATOM 1342 CA LYS A 90 98.294 6.054 -5.239 1.00 0.00 C ATOM 1343 C LYS A 90 96.883 5.603 -4.890 1.00 0.00 C ATOM 1344 O LYS A 90 96.636 4.421 -4.692 1.00 0.00 O ATOM 1345 CB LYS A 90 98.785 7.058 -4.196 1.00 0.00 C ATOM 1346 CG LYS A 90 100.229 7.458 -4.508 1.00 0.00 C ATOM 1347 CD LYS A 90 100.723 8.443 -3.447 1.00 0.00 C ATOM 1348 CE LYS A 90 101.451 9.604 -4.127 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.159 10.416 -3.096 1.00 0.00 N ATOM 0 H LYS A 90 98.554 7.649 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 90 98.956 5.188 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 90 98.145 7.940 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.725 6.621 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.867 6.575 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.287 7.912 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.882 8.819 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 90 101.392 7.938 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.164 9.223 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 90 100.739 10.226 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.655 11.206 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.468 10.791 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.849 9.819 -2.597 1.00 0.00 H new ATOM 1363 N LEU A 91 95.958 6.555 -4.840 1.00 0.00 N ATOM 1364 CA LEU A 91 94.574 6.252 -4.530 1.00 0.00 C ATOM 1365 C LEU A 91 93.977 5.435 -5.654 1.00 0.00 C ATOM 1366 O LEU A 91 93.236 4.484 -5.429 1.00 0.00 O ATOM 1367 CB LEU A 91 93.795 7.556 -4.354 1.00 0.00 C ATOM 1368 CG LEU A 91 94.019 8.076 -2.938 1.00 0.00 C ATOM 1369 CD1 LEU A 91 95.502 8.391 -2.737 1.00 0.00 C ATOM 1370 CD2 LEU A 91 93.195 9.347 -2.719 1.00 0.00 C ATOM 0 H LEU A 91 96.146 7.543 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 91 94.519 5.679 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.126 8.295 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.733 7.388 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 91 93.708 7.315 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 91 95.661 8.763 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 91 96.090 7.486 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 91 95.813 9.150 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.357 9.716 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.503 10.108 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 91 92.137 9.123 -2.858 1.00 0.00 H new ATOM 1382 N LYS A 92 94.324 5.809 -6.869 1.00 0.00 N ATOM 1383 CA LYS A 92 93.840 5.101 -8.031 1.00 0.00 C ATOM 1384 C LYS A 92 94.344 3.664 -8.003 1.00 0.00 C ATOM 1385 O LYS A 92 93.555 2.727 -8.022 1.00 0.00 O ATOM 1386 CB LYS A 92 94.313 5.792 -9.311 1.00 0.00 C ATOM 1387 CG LYS A 92 93.248 5.639 -10.399 1.00 0.00 C ATOM 1388 CD LYS A 92 93.721 6.332 -11.679 1.00 0.00 C ATOM 1389 CE LYS A 92 92.632 6.227 -12.748 1.00 0.00 C ATOM 1390 NZ LYS A 92 93.237 6.410 -14.098 1.00 0.00 N ATOM 0 H LYS A 92 94.938 6.597 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 92 92.750 5.103 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.501 6.848 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.254 5.356 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.060 4.583 -10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.306 6.074 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.947 7.379 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 92 94.642 5.871 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 92 92.141 5.256 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 92 91.866 6.983 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 92.495 6.338 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 93.686 7.346 -14.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 93.953 5.673 -14.261 1.00 0.00 H new ATOM 1404 N LYS A 93 95.665 3.498 -7.942 1.00 0.00 N ATOM 1405 CA LYS A 93 96.251 2.163 -7.902 1.00 0.00 C ATOM 1406 C LYS A 93 95.875 1.452 -6.616 1.00 0.00 C ATOM 1407 O LYS A 93 95.613 0.256 -6.615 1.00 0.00 O ATOM 1408 CB LYS A 93 97.774 2.227 -8.026 1.00 0.00 C ATOM 1409 CG LYS A 93 98.317 0.827 -8.314 1.00 0.00 C ATOM 1410 CD LYS A 93 99.773 0.738 -7.853 1.00 0.00 C ATOM 1411 CE LYS A 93 100.463 -0.429 -8.561 1.00 0.00 C ATOM 1412 NZ LYS A 93 101.668 -0.839 -7.786 1.00 0.00 N ATOM 0 H LYS A 93 96.340 4.262 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 93 95.854 1.603 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.057 2.911 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.209 2.616 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.715 0.079 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.248 0.611 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.293 1.670 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.815 0.598 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.775 -1.269 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.749 -0.137 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.137 -1.633 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 102.327 -0.037 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 101.382 -1.134 -6.830 1.00 0.00 H new ATOM 1426 N ARG A 94 95.841 2.197 -5.529 1.00 0.00 N ATOM 1427 CA ARG A 94 95.483 1.619 -4.238 1.00 0.00 C ATOM 1428 C ARG A 94 94.021 1.195 -4.258 1.00 0.00 C ATOM 1429 O ARG A 94 93.696 0.051 -3.946 1.00 0.00 O ATOM 1430 CB ARG A 94 95.719 2.627 -3.105 1.00 0.00 C ATOM 1431 CG ARG A 94 95.317 2.011 -1.762 1.00 0.00 C ATOM 1432 CD ARG A 94 96.182 0.782 -1.472 1.00 0.00 C ATOM 1433 NE ARG A 94 97.552 1.010 -1.919 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.395 -0.002 -2.099 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.004 -1.227 -1.879 1.00 0.00 N ATOM 1436 NH2 ARG A 94 99.616 0.230 -2.496 1.00 0.00 N ATOM 0 H ARG A 94 96.054 3.194 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 94 96.114 0.748 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 94 96.769 2.919 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 94 95.140 3.533 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 94 95.435 2.746 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 94 94.264 1.729 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.172 0.566 -0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 94 95.768 -0.090 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 94 97.869 1.963 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.050 -1.410 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.652 -2.002 -2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 94 99.923 1.187 -2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.263 -0.546 -2.634 1.00 0.00 H new ATOM 1450 N LEU A 95 93.145 2.118 -4.645 1.00 0.00 N ATOM 1451 CA LEU A 95 91.722 1.814 -4.716 1.00 0.00 C ATOM 1452 C LEU A 95 91.452 0.866 -5.866 1.00 0.00 C ATOM 1453 O LEU A 95 90.589 0.006 -5.770 1.00 0.00 O ATOM 1454 CB LEU A 95 90.906 3.089 -4.895 1.00 0.00 C ATOM 1455 CG LEU A 95 91.195 4.017 -3.720 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.855 5.458 -4.098 1.00 0.00 C ATOM 1457 CD2 LEU A 95 90.352 3.603 -2.511 1.00 0.00 C ATOM 0 H LEU A 95 93.393 3.071 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 95 91.425 1.340 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.165 3.576 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.842 2.855 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 95 92.253 3.947 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 95 91.064 6.115 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.459 5.762 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.799 5.526 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 95 90.563 4.270 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 95 89.294 3.665 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.598 2.579 -2.230 1.00 0.00 H new ATOM 1469 N GLN A 96 92.211 1.016 -6.943 1.00 0.00 N ATOM 1470 CA GLN A 96 92.047 0.134 -8.099 1.00 0.00 C ATOM 1471 C GLN A 96 92.599 -1.241 -7.761 1.00 0.00 C ATOM 1472 O GLN A 96 91.969 -2.263 -8.031 1.00 0.00 O ATOM 1473 CB GLN A 96 92.758 0.685 -9.337 1.00 0.00 C ATOM 1474 CG GLN A 96 92.545 -0.271 -10.512 1.00 0.00 C ATOM 1475 CD GLN A 96 93.811 -1.085 -10.758 1.00 0.00 C ATOM 1476 OE1 GLN A 96 94.613 -1.345 -9.762 1.00 0.00 O flip ATOM 1477 NE2 GLN A 96 94.077 -1.494 -11.888 1.00 0.00 N flip ATOM 0 H GLN A 96 92.936 1.726 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 96 90.984 0.068 -8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.370 1.673 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.823 0.801 -9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.709 -0.938 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.285 0.293 -11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.449 -1.290 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 96 94.926 -2.037 -12.047 1.00 0.00 H new ATOM 1486 N LEU A 97 93.768 -1.250 -7.136 1.00 0.00 N ATOM 1487 CA LEU A 97 94.388 -2.500 -6.725 1.00 0.00 C ATOM 1488 C LEU A 97 93.551 -3.103 -5.616 1.00 0.00 C ATOM 1489 O LEU A 97 93.327 -4.308 -5.581 1.00 0.00 O ATOM 1490 CB LEU A 97 95.820 -2.270 -6.227 1.00 0.00 C ATOM 1491 CG LEU A 97 96.451 -3.607 -5.829 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.609 -4.491 -7.068 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.827 -3.351 -5.210 1.00 0.00 C ATOM 0 H LEU A 97 94.302 -0.412 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 97 94.438 -3.175 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.414 -1.795 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.814 -1.592 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 97 95.809 -4.110 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.058 -5.442 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.631 -4.672 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.251 -3.990 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 97 98.280 -4.301 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.465 -2.848 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.717 -2.722 -4.327 1.00 0.00 H new ATOM 1505 N GLU A 98 93.068 -2.246 -4.718 1.00 0.00 N ATOM 1506 CA GLU A 98 92.229 -2.705 -3.624 1.00 0.00 C ATOM 1507 C GLU A 98 90.849 -3.059 -4.159 1.00 0.00 C ATOM 1508 O GLU A 98 90.278 -4.072 -3.781 1.00 0.00 O ATOM 1509 CB GLU A 98 92.106 -1.635 -2.541 1.00 0.00 C ATOM 1510 CG GLU A 98 93.463 -1.437 -1.863 1.00 0.00 C ATOM 1511 CD GLU A 98 93.571 -2.334 -0.635 1.00 0.00 C ATOM 1512 OE1 GLU A 98 92.587 -2.455 0.076 1.00 0.00 O ATOM 1513 OE2 GLU A 98 94.638 -2.888 -0.423 1.00 0.00 O ATOM 0 H GLU A 98 93.243 -1.241 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 98 92.690 -3.587 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.766 -0.697 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.359 -1.932 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 98 94.265 -1.668 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 98 93.584 -0.393 -1.573 1.00 0.00 H new ATOM 1520 N PHE A 99 90.331 -2.228 -5.067 1.00 0.00 N ATOM 1521 CA PHE A 99 89.022 -2.491 -5.666 1.00 0.00 C ATOM 1522 C PHE A 99 89.107 -3.764 -6.454 1.00 0.00 C ATOM 1523 O PHE A 99 88.193 -4.576 -6.444 1.00 0.00 O ATOM 1524 CB PHE A 99 88.603 -1.364 -6.602 1.00 0.00 C ATOM 1525 CG PHE A 99 87.386 -1.759 -7.411 1.00 0.00 C ATOM 1526 CD1 PHE A 99 86.225 -2.224 -6.778 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.419 -1.643 -8.807 1.00 0.00 C ATOM 1528 CE1 PHE A 99 85.103 -2.573 -7.542 1.00 0.00 C ATOM 1529 CE2 PHE A 99 86.297 -1.989 -9.568 1.00 0.00 C ATOM 1530 CZ PHE A 99 85.140 -2.455 -8.937 1.00 0.00 C ATOM 0 H PHE A 99 90.790 -1.380 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 99 88.283 -2.568 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.384 -0.467 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.426 -1.118 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.195 -2.313 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 99 88.313 -1.286 -9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 99 84.209 -2.933 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 99 86.325 -1.896 -10.644 1.00 0.00 H new ATOM 0 HZ PHE A 99 84.275 -2.724 -9.525 1.00 0.00 H new ATOM 1540 N THR A 100 90.225 -3.943 -7.129 1.00 0.00 N ATOM 1541 CA THR A 100 90.414 -5.147 -7.891 1.00 0.00 C ATOM 1542 C THR A 100 90.707 -6.286 -6.929 1.00 0.00 C ATOM 1543 O THR A 100 90.055 -7.323 -6.959 1.00 0.00 O ATOM 1544 CB THR A 100 91.563 -4.979 -8.871 1.00 0.00 C ATOM 1545 OG1 THR A 100 92.743 -4.626 -8.164 1.00 0.00 O ATOM 1546 CG2 THR A 100 91.222 -3.888 -9.888 1.00 0.00 C ATOM 0 H THR A 100 90.999 -3.280 -7.162 1.00 0.00 H new ATOM 0 HA THR A 100 89.512 -5.366 -8.463 1.00 0.00 H new ATOM 0 HB THR A 100 91.727 -5.919 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.976 -3.695 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 100 92.049 -3.772 -10.588 1.00 0.00 H new ATOM 0 HG22 THR A 100 90.321 -4.168 -10.434 1.00 0.00 H new ATOM 0 HG23 THR A 100 91.052 -2.946 -9.367 1.00 0.00 H new ATOM 1554 N GLN A 101 91.673 -6.079 -6.045 1.00 0.00 N ATOM 1555 CA GLN A 101 91.992 -7.116 -5.069 1.00 0.00 C ATOM 1556 C GLN A 101 90.764 -7.386 -4.209 1.00 0.00 C ATOM 1557 O GLN A 101 90.578 -8.491 -3.703 1.00 0.00 O ATOM 1558 CB GLN A 101 93.172 -6.712 -4.184 1.00 0.00 C ATOM 1559 CG GLN A 101 94.466 -6.791 -4.996 1.00 0.00 C ATOM 1560 CD GLN A 101 94.877 -8.248 -5.182 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.408 -8.912 -6.106 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.730 -8.787 -4.355 1.00 0.00 N ATOM 0 H GLN A 101 92.235 -5.230 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 101 92.279 -8.020 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.028 -5.700 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 101 93.233 -7.370 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 101 94.325 -6.318 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 101 95.259 -6.243 -4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 101 96.117 -8.235 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 101 96.010 -9.761 -4.473 1.00 0.00 H new ATOM 1571 N ALA A 102 89.917 -6.371 -4.066 1.00 0.00 N ATOM 1572 CA ALA A 102 88.690 -6.518 -3.289 1.00 0.00 C ATOM 1573 C ALA A 102 87.591 -7.089 -4.166 1.00 0.00 C ATOM 1574 O ALA A 102 86.990 -8.112 -3.846 1.00 0.00 O ATOM 1575 CB ALA A 102 88.233 -5.169 -2.727 1.00 0.00 C ATOM 0 H ALA A 102 90.055 -5.446 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 102 88.893 -7.194 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.317 -5.306 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 102 89.010 -4.762 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 102 88.046 -4.477 -3.548 1.00 0.00 H new ATOM 1581 N GLU A 103 87.338 -6.405 -5.272 1.00 0.00 N ATOM 1582 CA GLU A 103 86.304 -6.813 -6.215 1.00 0.00 C ATOM 1583 C GLU A 103 86.761 -7.983 -7.074 1.00 0.00 C ATOM 1584 O GLU A 103 86.073 -9.000 -7.166 1.00 0.00 O ATOM 1585 CB GLU A 103 85.963 -5.639 -7.127 1.00 0.00 C ATOM 1586 CG GLU A 103 84.606 -5.879 -7.787 1.00 0.00 C ATOM 1587 CD GLU A 103 83.495 -5.771 -6.748 1.00 0.00 C ATOM 1588 OE1 GLU A 103 83.773 -5.290 -5.662 1.00 0.00 O ATOM 1589 OE2 GLU A 103 82.384 -6.169 -7.054 1.00 0.00 O ATOM 0 H GLU A 103 87.839 -5.558 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 103 85.431 -7.125 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.940 -4.713 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.734 -5.522 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.445 -5.150 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.587 -6.865 -8.251 1.00 0.00 H new ATOM 1596 N ARG A 104 87.917 -7.834 -7.712 1.00 0.00 N ATOM 1597 CA ARG A 104 88.424 -8.906 -8.569 1.00 0.00 C ATOM 1598 C ARG A 104 88.518 -10.206 -7.779 1.00 0.00 C ATOM 1599 O ARG A 104 88.315 -11.290 -8.327 1.00 0.00 O ATOM 1600 CB ARG A 104 89.797 -8.549 -9.146 1.00 0.00 C ATOM 1601 CG ARG A 104 89.949 -9.185 -10.530 1.00 0.00 C ATOM 1602 CD ARG A 104 91.387 -9.011 -11.019 1.00 0.00 C ATOM 1603 NE ARG A 104 92.090 -10.288 -10.985 1.00 0.00 N ATOM 1604 CZ ARG A 104 93.327 -10.403 -11.457 1.00 0.00 C ATOM 1605 NH1 ARG A 104 93.932 -9.364 -11.963 1.00 0.00 N ATOM 1606 NH2 ARG A 104 93.937 -11.557 -11.414 1.00 0.00 N ATOM 0 H ARG A 104 88.509 -7.005 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 104 87.727 -9.035 -9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 104 89.903 -7.467 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.586 -8.903 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 104 89.695 -10.244 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.257 -8.721 -11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 104 91.388 -8.614 -12.034 1.00 0.00 H new ATOM 0 HD3 ARG A 104 91.906 -8.285 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 104 91.625 -11.106 -10.593 1.00 0.00 H new ATOM 0 HH11 ARG A 104 93.456 -8.463 -11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 104 94.881 -9.453 -12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 104 93.464 -12.369 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 104 94.886 -11.646 -11.776 1.00 0.00 H new ATOM 1620 N SER A 105 88.818 -10.093 -6.489 1.00 0.00 N ATOM 1621 CA SER A 105 88.924 -11.275 -5.640 1.00 0.00 C ATOM 1622 C SER A 105 87.551 -11.683 -5.112 1.00 0.00 C ATOM 1623 O SER A 105 87.163 -12.847 -5.213 1.00 0.00 O ATOM 1624 CB SER A 105 89.862 -11.004 -4.465 1.00 0.00 C ATOM 1625 OG SER A 105 90.266 -12.242 -3.896 1.00 0.00 O ATOM 0 H SER A 105 88.990 -9.207 -6.013 1.00 0.00 H new ATOM 0 HA SER A 105 89.328 -12.089 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.734 -10.443 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.359 -10.392 -3.716 1.00 0.00 H new ATOM 0 HG SER A 105 90.870 -12.074 -3.142 1.00 0.00 H new ATOM 1631 N ILE A 106 86.818 -10.726 -4.544 1.00 0.00 N ATOM 1632 CA ILE A 106 85.490 -11.028 -4.008 1.00 0.00 C ATOM 1633 C ILE A 106 84.579 -11.565 -5.108 1.00 0.00 C ATOM 1634 O ILE A 106 83.862 -12.545 -4.909 1.00 0.00 O ATOM 1635 CB ILE A 106 84.857 -9.776 -3.396 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.590 -9.408 -2.102 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.385 -10.053 -3.086 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.912 -10.094 -0.909 1.00 0.00 C ATOM 0 H ILE A 106 87.112 -9.755 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 106 85.606 -11.786 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 106 84.934 -8.949 -4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.634 -9.715 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.583 -8.327 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.931 -9.163 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.862 -10.313 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.311 -10.881 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.437 -9.830 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.875 -9.766 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.942 -11.175 -1.046 1.00 0.00 H new ATOM 1650 N GLU A 107 84.610 -10.913 -6.265 1.00 0.00 N ATOM 1651 CA GLU A 107 83.780 -11.331 -7.389 1.00 0.00 C ATOM 1652 C GLU A 107 83.890 -12.838 -7.605 1.00 0.00 C ATOM 1653 O GLU A 107 83.060 -13.438 -8.288 1.00 0.00 O ATOM 1654 CB GLU A 107 84.213 -10.598 -8.659 1.00 0.00 C ATOM 1655 CG GLU A 107 83.328 -11.036 -9.827 1.00 0.00 C ATOM 1656 CD GLU A 107 82.995 -9.837 -10.707 1.00 0.00 C ATOM 1657 OE1 GLU A 107 82.076 -9.112 -10.364 1.00 0.00 O ATOM 1658 OE2 GLU A 107 83.665 -9.659 -11.710 1.00 0.00 O ATOM 0 H GLU A 107 85.196 -10.099 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 107 82.743 -11.083 -7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.136 -9.520 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.258 -10.816 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.839 -11.798 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.410 -11.487 -9.449 1.00 0.00 H new ATOM 1665 N ARG A 108 84.918 -13.441 -7.018 1.00 0.00 N ATOM 1666 CA ARG A 108 85.123 -14.879 -7.153 1.00 0.00 C ATOM 1667 C ARG A 108 85.399 -15.248 -8.607 1.00 0.00 C ATOM 1668 O ARG A 108 85.205 -16.394 -9.014 1.00 0.00 O ATOM 1669 CB ARG A 108 83.887 -15.632 -6.659 1.00 0.00 C ATOM 1670 CG ARG A 108 84.315 -16.958 -6.030 1.00 0.00 C ATOM 1671 CD ARG A 108 84.749 -16.720 -4.583 1.00 0.00 C ATOM 1672 NE ARG A 108 83.612 -16.878 -3.683 1.00 0.00 N ATOM 1673 CZ ARG A 108 83.768 -16.819 -2.364 1.00 0.00 C ATOM 1674 NH1 ARG A 108 84.950 -16.608 -1.856 1.00 0.00 N ATOM 1675 NH2 ARG A 108 82.738 -16.970 -1.579 1.00 0.00 N ATOM 0 H ARG A 108 85.616 -12.962 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 108 85.985 -15.161 -6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 108 83.348 -15.028 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 108 83.204 -15.815 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 108 83.490 -17.670 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 108 85.135 -17.395 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 108 85.537 -17.423 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 108 85.166 -15.718 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 108 82.682 -17.036 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 108 85.755 -16.488 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 108 85.070 -16.563 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 108 81.813 -17.133 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 108 82.857 -16.925 -0.567 1.00 0.00 H new