USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 80 THR OG1 : rot -72:sc= -0.804 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 160:sc= -0.125 (180deg=-0.521) USER MOD Set 2.1: A 48 MET CE :methyl 136:sc= -1.05 (180deg=-4.48!) USER MOD Set 2.2: A 77 HIS : no HD1:sc= -0.297 K(o=-1.3,f=-5!) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 CYS SG : rot 130:sc= -1.63! USER MOD Set 3.3: A 69 ASN : amide:sc= -4.04! K(o=-5.4!,f=-2) USER MOD Set 3.4: A 93 TYR OH : rot -30:sc= 0.295 USER MOD Single : A 6 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.37) USER MOD Single : A 7 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.6) USER MOD Single : A 8 HIS : no HD1:sc= -0.598 K(o=-0.6,f=-1.2!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.0034) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -70:sc= -0.579 USER MOD Single : A 50 GLN : amide:sc= -0.0107 K(o=-0.011,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.8! K(o=-2.8!,f=-1.7) USER MOD Single : A 76 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.015) USER MOD Single : A 79 TYR OH : rot 13:sc= 0.521 USER MOD Single : A 85 GLN : amide:sc= -2.05! K(o=-2!,f=-0.87) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -22.896 15.451 -20.773 1.00 0.00 N ATOM 67 CA HIS A 6 -24.237 15.175 -20.273 1.00 0.00 C ATOM 68 C HIS A 6 -24.426 15.752 -18.874 1.00 0.00 C ATOM 69 O HIS A 6 -23.605 16.538 -18.400 1.00 0.00 O ATOM 70 CB HIS A 6 -24.496 13.667 -20.254 1.00 0.00 C ATOM 71 CG HIS A 6 -25.403 13.205 -21.352 1.00 0.00 C ATOM 72 ND1 HIS A 6 -25.473 13.873 -22.551 1.00 0.00 N ATOM 73 CD2 HIS A 6 -26.251 12.149 -21.382 1.00 0.00 C ATOM 74 CE1 HIS A 6 -26.355 13.213 -23.282 1.00 0.00 C ATOM 75 NE2 HIS A 6 -26.851 12.161 -22.614 1.00 0.00 N ATOM 0 HA HIS A 6 -24.953 15.652 -20.943 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.544 13.141 -20.334 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -24.932 13.393 -19.293 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -26.421 11.436 -20.589 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -26.639 13.486 -24.288 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -27.544 11.496 -22.958 1.00 0.00 H new ATOM 83 N HIS A 7 -25.514 15.359 -18.219 1.00 0.00 N ATOM 84 CA HIS A 7 -25.814 15.840 -16.875 1.00 0.00 C ATOM 85 C HIS A 7 -25.542 14.760 -15.833 1.00 0.00 C ATOM 86 O HIS A 7 -26.414 13.946 -15.525 1.00 0.00 O ATOM 87 CB HIS A 7 -27.272 16.295 -16.791 1.00 0.00 C ATOM 88 CG HIS A 7 -27.490 17.699 -17.262 1.00 0.00 C ATOM 89 ND1 HIS A 7 -26.437 18.507 -17.622 1.00 0.00 N ATOM 90 CD2 HIS A 7 -28.649 18.384 -17.418 1.00 0.00 C ATOM 91 CE1 HIS A 7 -26.972 19.660 -17.983 1.00 0.00 C ATOM 92 NE2 HIS A 7 -28.309 19.632 -17.875 1.00 0.00 N ATOM 0 H HIS A 7 -26.203 14.709 -18.597 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.162 16.688 -16.665 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.889 15.621 -17.386 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -27.611 16.210 -15.759 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -29.646 18.019 -17.221 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -26.406 20.515 -18.322 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -28.951 20.394 -18.092 1.00 0.00 H new ATOM 100 N HIS A 8 -24.327 14.760 -15.294 1.00 0.00 N ATOM 101 CA HIS A 8 -23.937 13.784 -14.282 1.00 0.00 C ATOM 102 C HIS A 8 -23.095 14.442 -13.195 1.00 0.00 C ATOM 103 O HIS A 8 -23.531 14.573 -12.051 1.00 0.00 O ATOM 104 CB HIS A 8 -23.159 12.634 -14.924 1.00 0.00 C ATOM 105 CG HIS A 8 -23.874 11.319 -14.866 1.00 0.00 C ATOM 106 ND1 HIS A 8 -25.122 11.205 -14.302 1.00 0.00 N ATOM 107 CD2 HIS A 8 -23.477 10.101 -15.311 1.00 0.00 C ATOM 108 CE1 HIS A 8 -25.456 9.932 -14.415 1.00 0.00 C ATOM 109 NE2 HIS A 8 -24.489 9.226 -15.019 1.00 0.00 N ATOM 0 H HIS A 8 -23.595 15.426 -15.541 1.00 0.00 H new ATOM 0 HA HIS A 8 -24.843 13.386 -13.825 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -22.955 12.881 -15.966 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -22.195 12.536 -14.425 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -22.543 9.867 -15.801 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.388 9.513 -14.066 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -24.504 8.227 -15.222 1.00 0.00 H new ATOM 117 N HIS A 9 -21.887 14.861 -13.562 1.00 0.00 N ATOM 118 CA HIS A 9 -20.986 15.516 -12.620 1.00 0.00 C ATOM 119 C HIS A 9 -21.041 17.030 -12.786 1.00 0.00 C ATOM 120 O HIS A 9 -21.556 17.537 -13.783 1.00 0.00 O ATOM 121 CB HIS A 9 -19.553 15.020 -12.821 1.00 0.00 C ATOM 122 CG HIS A 9 -19.275 13.706 -12.159 1.00 0.00 C ATOM 123 ND1 HIS A 9 -18.402 13.607 -11.103 1.00 0.00 N ATOM 124 CD2 HIS A 9 -19.774 12.476 -12.440 1.00 0.00 C ATOM 125 CE1 HIS A 9 -18.388 12.329 -10.764 1.00 0.00 C ATOM 126 NE2 HIS A 9 -19.204 11.608 -11.546 1.00 0.00 N ATOM 0 H HIS A 9 -21.510 14.758 -14.504 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.309 15.265 -11.610 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.356 14.928 -13.889 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.861 15.767 -12.432 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.482 12.229 -13.217 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.795 11.919 -9.960 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -19.369 10.603 -11.487 1.00 0.00 H new ATOM 134 N HIS A 10 -20.509 17.750 -11.803 1.00 0.00 N ATOM 135 CA HIS A 10 -20.505 19.208 -11.841 1.00 0.00 C ATOM 136 C HIS A 10 -19.084 19.750 -11.954 1.00 0.00 C ATOM 137 O HIS A 10 -18.294 19.649 -11.015 1.00 0.00 O ATOM 138 CB HIS A 10 -21.181 19.771 -10.589 1.00 0.00 C ATOM 139 CG HIS A 10 -22.659 19.951 -10.739 1.00 0.00 C ATOM 140 ND1 HIS A 10 -23.428 19.034 -11.416 1.00 0.00 N ATOM 141 CD2 HIS A 10 -23.456 20.951 -10.289 1.00 0.00 C ATOM 142 CE1 HIS A 10 -24.666 19.490 -11.363 1.00 0.00 C ATOM 143 NE2 HIS A 10 -24.731 20.648 -10.690 1.00 0.00 N ATOM 0 H HIS A 10 -20.076 17.348 -10.972 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.063 19.524 -12.723 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -20.988 19.103 -9.750 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -20.729 20.732 -10.342 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -23.146 21.818 -9.724 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.517 18.994 -11.805 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -25.570 21.199 -10.511 1.00 0.00 H new ATOM 151 N SER A 11 -18.770 20.332 -13.107 1.00 0.00 N ATOM 152 CA SER A 11 -17.448 20.897 -13.344 1.00 0.00 C ATOM 153 C SER A 11 -17.526 22.411 -13.506 1.00 0.00 C ATOM 154 O SER A 11 -17.909 22.913 -14.562 1.00 0.00 O ATOM 155 CB SER A 11 -16.821 20.272 -14.592 1.00 0.00 C ATOM 156 OG SER A 11 -15.458 19.950 -14.373 1.00 0.00 O ATOM 0 H SER A 11 -19.414 20.424 -13.892 1.00 0.00 H new ATOM 0 HA SER A 11 -16.823 20.673 -12.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.371 19.372 -14.867 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.904 20.964 -15.430 1.00 0.00 H new ATOM 0 HG SER A 11 -15.082 19.551 -15.185 1.00 0.00 H new ATOM 162 N SER A 12 -17.164 23.132 -12.450 1.00 0.00 N ATOM 163 CA SER A 12 -17.198 24.590 -12.471 1.00 0.00 C ATOM 164 C SER A 12 -16.047 25.152 -13.299 1.00 0.00 C ATOM 165 O SER A 12 -16.265 25.791 -14.328 1.00 0.00 O ATOM 166 CB SER A 12 -17.132 25.143 -11.046 1.00 0.00 C ATOM 167 OG SER A 12 -18.429 25.407 -10.539 1.00 0.00 O ATOM 0 H SER A 12 -16.844 22.730 -11.569 1.00 0.00 H new ATOM 0 HA SER A 12 -18.137 24.898 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.624 24.428 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.541 26.059 -11.035 1.00 0.00 H new ATOM 0 HG SER A 12 -18.358 25.758 -9.627 1.00 0.00 H new ATOM 173 N GLY A 13 -14.822 24.912 -12.841 1.00 0.00 N ATOM 174 CA GLY A 13 -13.656 25.405 -13.549 1.00 0.00 C ATOM 175 C GLY A 13 -12.588 24.343 -13.725 1.00 0.00 C ATOM 176 O GLY A 13 -12.853 23.272 -14.271 1.00 0.00 O ATOM 0 H GLY A 13 -14.617 24.385 -11.992 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.960 25.775 -14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.236 26.251 -13.005 1.00 0.00 H new ATOM 390 N ASP A 27 1.203 3.848 -4.269 1.00 0.00 N ATOM 391 CA ASP A 27 0.407 3.091 -5.228 1.00 0.00 C ATOM 392 C ASP A 27 -0.711 2.326 -4.527 1.00 0.00 C ATOM 393 O ASP A 27 -1.859 2.770 -4.513 1.00 0.00 O ATOM 394 CB ASP A 27 1.292 2.119 -6.013 1.00 0.00 C ATOM 395 CG ASP A 27 0.685 1.733 -7.347 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.518 1.398 -7.379 1.00 0.00 O ATOM 397 OD2 ASP A 27 1.414 1.764 -8.362 1.00 0.00 O ATOM 0 HA ASP A 27 -0.042 3.800 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.268 2.574 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.457 1.221 -5.418 1.00 0.00 H new ATOM 402 N TYR A 28 -0.379 1.164 -3.965 1.00 0.00 N ATOM 403 CA TYR A 28 -1.378 0.348 -3.281 1.00 0.00 C ATOM 404 C TYR A 28 -0.862 -0.173 -1.945 1.00 0.00 C ATOM 405 O TYR A 28 0.331 -0.090 -1.652 1.00 0.00 O ATOM 406 CB TYR A 28 -1.803 -0.823 -4.169 1.00 0.00 C ATOM 407 CG TYR A 28 -3.061 -0.551 -4.964 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.312 -0.605 -4.362 1.00 0.00 C ATOM 409 CD2 TYR A 28 -2.997 -0.239 -6.316 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.464 -0.357 -5.085 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.144 0.010 -7.045 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.373 -0.050 -6.426 1.00 0.00 C ATOM 413 OH TYR A 28 -6.517 0.198 -7.150 1.00 0.00 O ATOM 0 H TYR A 28 0.562 0.771 -3.970 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.241 0.983 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.992 -1.060 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.960 -1.703 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.386 -0.845 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.035 -0.190 -6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.429 -0.403 -4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.077 0.251 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.279 0.400 -8.079 1.00 0.00 H new ATOM 423 N ARG A 29 -1.776 -0.692 -1.129 1.00 0.00 N ATOM 424 CA ARG A 29 -1.422 -1.234 0.178 1.00 0.00 C ATOM 425 C ARG A 29 -2.114 -2.574 0.422 1.00 0.00 C ATOM 426 O ARG A 29 -3.294 -2.738 0.112 1.00 0.00 O ATOM 427 CB ARG A 29 -1.796 -0.246 1.285 1.00 0.00 C ATOM 428 CG ARG A 29 -2.953 0.672 0.921 1.00 0.00 C ATOM 429 CD ARG A 29 -4.240 0.249 1.611 1.00 0.00 C ATOM 430 NE ARG A 29 -5.373 0.221 0.690 1.00 0.00 N ATOM 431 CZ ARG A 29 -6.627 0.474 1.053 1.00 0.00 C ATOM 432 NH1 ARG A 29 -6.910 0.773 2.314 1.00 0.00 N ATOM 433 NH2 ARG A 29 -7.600 0.429 0.154 1.00 0.00 N ATOM 0 H ARG A 29 -2.770 -0.748 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.344 -1.395 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.056 -0.804 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.924 0.362 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.708 1.696 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.099 0.664 -0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.107 -0.739 2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.455 0.936 2.429 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.192 -0.006 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.164 0.810 3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.873 0.966 2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.387 0.200 -0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.562 0.623 0.433 1.00 0.00 H new ATOM 447 N LEU A 30 -1.378 -3.521 0.998 1.00 0.00 N ATOM 448 CA LEU A 30 -1.922 -4.841 1.302 1.00 0.00 C ATOM 449 C LEU A 30 -1.598 -5.243 2.739 1.00 0.00 C ATOM 450 O LEU A 30 -0.696 -6.043 2.981 1.00 0.00 O ATOM 451 CB LEU A 30 -1.362 -5.885 0.325 1.00 0.00 C ATOM 452 CG LEU A 30 -2.371 -6.933 -0.158 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.702 -7.907 0.965 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.630 -6.255 -0.675 1.00 0.00 C ATOM 0 H LEU A 30 -0.401 -3.398 1.264 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.006 -4.797 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.957 -5.366 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.530 -6.399 0.805 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.926 -7.497 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.420 -8.645 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.792 -8.413 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.132 -7.361 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.337 -7.012 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.082 -5.669 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.374 -5.598 -1.506 1.00 0.00 H new ATOM 466 N ASP A 31 -2.346 -4.691 3.691 1.00 0.00 N ATOM 467 CA ASP A 31 -2.115 -4.979 5.104 1.00 0.00 C ATOM 468 C ASP A 31 -3.157 -5.953 5.652 1.00 0.00 C ATOM 469 O ASP A 31 -4.031 -5.570 6.432 1.00 0.00 O ATOM 470 CB ASP A 31 -2.133 -3.681 5.917 1.00 0.00 C ATOM 471 CG ASP A 31 -1.500 -2.523 5.172 1.00 0.00 C ATOM 472 OD1 ASP A 31 -2.210 -1.866 4.380 1.00 0.00 O ATOM 473 OD2 ASP A 31 -0.295 -2.271 5.380 1.00 0.00 O ATOM 0 H ASP A 31 -3.114 -4.044 3.511 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.135 -5.447 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.163 -3.428 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.604 -3.837 6.857 1.00 0.00 H new ATOM 478 N MET A 32 -3.085 -7.206 5.204 1.00 0.00 N ATOM 479 CA MET A 32 -4.015 -8.235 5.659 1.00 0.00 C ATOM 480 C MET A 32 -3.286 -9.552 5.952 1.00 0.00 C ATOM 481 O MET A 32 -2.542 -9.665 6.929 1.00 0.00 O ATOM 482 CB MET A 32 -5.112 -8.452 4.614 1.00 0.00 C ATOM 483 CG MET A 32 -6.088 -7.292 4.504 1.00 0.00 C ATOM 484 SD MET A 32 -7.497 -7.667 3.445 1.00 0.00 S ATOM 485 CE MET A 32 -7.931 -6.031 2.863 1.00 0.00 C ATOM 0 H MET A 32 -2.394 -7.531 4.528 1.00 0.00 H new ATOM 0 HA MET A 32 -4.472 -7.893 6.588 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.648 -8.618 3.642 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.665 -9.358 4.863 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.447 -7.029 5.499 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.566 -6.419 4.112 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.789 -6.098 2.194 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.182 -5.397 3.713 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.086 -5.600 2.326 1.00 0.00 H new ATOM 495 N VAL A 33 -3.552 -10.564 5.130 1.00 0.00 N ATOM 496 CA VAL A 33 -2.923 -11.870 5.284 1.00 0.00 C ATOM 497 C VAL A 33 -2.466 -12.412 3.933 1.00 0.00 C ATOM 498 O VAL A 33 -3.255 -12.497 2.992 1.00 0.00 O ATOM 499 CB VAL A 33 -3.879 -12.886 5.939 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.188 -14.228 6.131 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.400 -12.352 7.265 1.00 0.00 C ATOM 0 H VAL A 33 -4.203 -10.502 4.347 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.059 -11.734 5.934 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.729 -13.035 5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.880 -14.931 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.871 -14.616 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.317 -14.100 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.073 -13.083 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.562 -12.170 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.938 -11.419 7.095 1.00 0.00 H new ATOM 511 N GLY A 34 -1.197 -12.789 3.846 1.00 0.00 N ATOM 512 CA GLY A 34 -0.668 -13.328 2.607 1.00 0.00 C ATOM 513 C GLY A 34 -1.244 -14.692 2.280 1.00 0.00 C ATOM 514 O GLY A 34 -0.815 -15.703 2.837 1.00 0.00 O ATOM 0 H GLY A 34 -0.524 -12.731 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.886 -12.639 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.417 -13.402 2.680 1.00 0.00 H new ATOM 518 N GLU A 35 -2.224 -14.721 1.380 1.00 0.00 N ATOM 519 CA GLU A 35 -2.866 -15.971 0.988 1.00 0.00 C ATOM 520 C GLU A 35 -2.294 -16.496 -0.329 1.00 0.00 C ATOM 521 O GLU A 35 -1.805 -15.722 -1.153 1.00 0.00 O ATOM 522 CB GLU A 35 -4.381 -15.773 0.864 1.00 0.00 C ATOM 523 CG GLU A 35 -4.806 -15.058 -0.410 1.00 0.00 C ATOM 524 CD GLU A 35 -6.284 -14.720 -0.422 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.100 -15.617 -0.127 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.625 -13.558 -0.727 1.00 0.00 O ATOM 0 H GLU A 35 -2.590 -13.893 0.909 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.666 -16.711 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.869 -16.747 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.735 -15.204 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.226 -14.141 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.573 -15.686 -1.270 1.00 0.00 H new ATOM 593 N PRO A 40 -5.111 -10.148 -2.263 1.00 0.00 N ATOM 594 CA PRO A 40 -5.593 -8.953 -2.959 1.00 0.00 C ATOM 595 C PRO A 40 -4.488 -8.249 -3.749 1.00 0.00 C ATOM 596 O PRO A 40 -4.706 -7.176 -4.312 1.00 0.00 O ATOM 597 CB PRO A 40 -6.108 -8.055 -1.824 1.00 0.00 C ATOM 598 CG PRO A 40 -5.839 -8.796 -0.546 1.00 0.00 C ATOM 599 CD PRO A 40 -4.816 -9.849 -0.866 1.00 0.00 C ATOM 0 HA PRO A 40 -6.354 -9.196 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.599 -7.091 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.173 -7.854 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.470 -8.119 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.753 -9.248 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.798 -9.482 -0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.923 -10.728 -0.230 1.00 0.00 H new ATOM 607 N ALA A 41 -3.319 -8.889 -3.831 1.00 0.00 N ATOM 608 CA ALA A 41 -2.180 -8.348 -4.580 1.00 0.00 C ATOM 609 C ALA A 41 -2.526 -8.105 -6.047 1.00 0.00 C ATOM 610 O ALA A 41 -1.679 -7.669 -6.824 1.00 0.00 O ATOM 611 CB ALA A 41 -0.995 -9.294 -4.486 1.00 0.00 C ATOM 0 H ALA A 41 -3.135 -9.788 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.923 -7.388 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.155 -8.882 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.709 -9.417 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.269 -10.263 -4.903 1.00 0.00 H new ATOM 617 N VAL A 42 -3.764 -8.406 -6.426 1.00 0.00 N ATOM 618 CA VAL A 42 -4.214 -8.177 -7.792 1.00 0.00 C ATOM 619 C VAL A 42 -3.930 -6.737 -8.200 1.00 0.00 C ATOM 620 O VAL A 42 -3.795 -6.422 -9.382 1.00 0.00 O ATOM 621 CB VAL A 42 -5.719 -8.469 -7.941 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.557 -7.304 -7.429 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.062 -8.788 -9.388 1.00 0.00 C ATOM 0 H VAL A 42 -4.470 -8.807 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.666 -8.857 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.955 -9.342 -7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.615 -7.538 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.338 -7.134 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.318 -6.406 -7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.130 -8.991 -9.473 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.803 -7.938 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.499 -9.664 -9.711 1.00 0.00 H new ATOM 633 N ALA A 43 -3.851 -5.868 -7.198 1.00 0.00 N ATOM 634 CA ALA A 43 -3.559 -4.457 -7.420 1.00 0.00 C ATOM 635 C ALA A 43 -2.095 -4.264 -7.796 1.00 0.00 C ATOM 636 O ALA A 43 -1.762 -3.412 -8.619 1.00 0.00 O ATOM 637 CB ALA A 43 -3.902 -3.646 -6.180 1.00 0.00 C ATOM 0 H ALA A 43 -3.986 -6.119 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.173 -4.103 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.679 -2.594 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.962 -3.758 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.311 -4.003 -5.337 1.00 0.00 H new ATOM 643 N THR A 44 -1.227 -5.061 -7.180 1.00 0.00 N ATOM 644 CA THR A 44 0.205 -4.993 -7.443 1.00 0.00 C ATOM 645 C THR A 44 0.490 -5.110 -8.938 1.00 0.00 C ATOM 646 O THR A 44 1.141 -4.246 -9.531 1.00 0.00 O ATOM 647 CB THR A 44 0.935 -6.107 -6.692 1.00 0.00 C ATOM 648 OG1 THR A 44 0.246 -6.437 -5.500 1.00 0.00 O ATOM 649 CG2 THR A 44 2.357 -5.749 -6.320 1.00 0.00 C ATOM 0 H THR A 44 -1.493 -5.765 -6.492 1.00 0.00 H new ATOM 0 HA THR A 44 0.566 -4.026 -7.094 1.00 0.00 H new ATOM 0 HB THR A 44 0.963 -6.952 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.332 -5.702 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.816 -6.584 -5.790 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.927 -5.536 -7.224 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.354 -4.869 -5.677 1.00 0.00 H new ATOM 657 N LEU A 45 -0.009 -6.186 -9.541 1.00 0.00 N ATOM 658 CA LEU A 45 0.195 -6.437 -10.964 1.00 0.00 C ATOM 659 C LEU A 45 -0.442 -5.345 -11.818 1.00 0.00 C ATOM 660 O LEU A 45 0.206 -4.780 -12.698 1.00 0.00 O ATOM 661 CB LEU A 45 -0.386 -7.799 -11.348 1.00 0.00 C ATOM 662 CG LEU A 45 0.497 -8.643 -12.269 1.00 0.00 C ATOM 663 CD1 LEU A 45 1.582 -9.347 -11.469 1.00 0.00 C ATOM 664 CD2 LEU A 45 -0.345 -9.654 -13.033 1.00 0.00 C ATOM 0 H LEU A 45 -0.559 -6.900 -9.064 1.00 0.00 H new ATOM 0 HA LEU A 45 1.269 -6.434 -11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.579 -8.365 -10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.348 -7.642 -11.836 1.00 0.00 H new ATOM 0 HG LEU A 45 0.977 -7.981 -12.989 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.200 -9.943 -12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.203 -8.605 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.122 -9.998 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.299 -10.246 -13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.852 -10.312 -12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.086 -9.129 -13.636 1.00 0.00 H new ATOM 676 N GLU A 46 -1.719 -5.065 -11.565 1.00 0.00 N ATOM 677 CA GLU A 46 -2.444 -4.053 -12.328 1.00 0.00 C ATOM 678 C GLU A 46 -1.779 -2.685 -12.199 1.00 0.00 C ATOM 679 O GLU A 46 -1.983 -1.805 -13.035 1.00 0.00 O ATOM 680 CB GLU A 46 -3.903 -3.980 -11.862 1.00 0.00 C ATOM 681 CG GLU A 46 -4.117 -3.108 -10.635 1.00 0.00 C ATOM 682 CD GLU A 46 -4.880 -1.836 -10.949 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.080 -1.930 -11.282 1.00 0.00 O ATOM 684 OE2 GLU A 46 -4.277 -0.745 -10.861 1.00 0.00 O ATOM 0 H GLU A 46 -2.271 -5.523 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.422 -4.342 -13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.516 -3.598 -12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.255 -4.988 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.661 -3.676 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.150 -2.850 -10.204 1.00 0.00 H new ATOM 691 N ALA A 47 -0.994 -2.510 -11.141 1.00 0.00 N ATOM 692 CA ALA A 47 -0.296 -1.252 -10.907 1.00 0.00 C ATOM 693 C ALA A 47 0.859 -1.073 -11.889 1.00 0.00 C ATOM 694 O ALA A 47 1.165 0.047 -12.301 1.00 0.00 O ATOM 695 CB ALA A 47 0.209 -1.185 -9.474 1.00 0.00 C ATOM 0 H ALA A 47 -0.826 -3.224 -10.432 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.003 -0.438 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.728 -0.240 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.634 -1.256 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.896 -2.011 -9.291 1.00 0.00 H new ATOM 701 N MET A 48 1.496 -2.184 -12.255 1.00 0.00 N ATOM 702 CA MET A 48 2.631 -2.152 -13.176 1.00 0.00 C ATOM 703 C MET A 48 2.320 -1.326 -14.430 1.00 0.00 C ATOM 704 O MET A 48 3.047 -0.385 -14.743 1.00 0.00 O ATOM 705 CB MET A 48 3.051 -3.573 -13.566 1.00 0.00 C ATOM 706 CG MET A 48 4.320 -4.043 -12.874 1.00 0.00 C ATOM 707 SD MET A 48 5.809 -3.638 -13.807 1.00 0.00 S ATOM 708 CE MET A 48 5.710 -4.835 -15.135 1.00 0.00 C ATOM 0 H MET A 48 1.246 -3.117 -11.928 1.00 0.00 H new ATOM 0 HA MET A 48 3.459 -1.670 -12.656 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.240 -4.261 -13.327 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.198 -3.616 -14.645 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.380 -3.588 -11.885 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.271 -5.122 -12.726 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.947 -4.349 -16.081 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.422 -5.640 -14.953 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.701 -5.246 -15.180 1.00 0.00 H new ATOM 718 N PRO A 49 1.235 -1.648 -15.167 1.00 0.00 N ATOM 719 CA PRO A 49 0.859 -0.899 -16.370 1.00 0.00 C ATOM 720 C PRO A 49 0.402 0.517 -16.038 1.00 0.00 C ATOM 721 O PRO A 49 0.681 1.462 -16.777 1.00 0.00 O ATOM 722 CB PRO A 49 -0.303 -1.706 -16.968 1.00 0.00 C ATOM 723 CG PRO A 49 -0.286 -3.018 -16.256 1.00 0.00 C ATOM 724 CD PRO A 49 0.290 -2.742 -14.898 1.00 0.00 C ATOM 0 HA PRO A 49 1.701 -0.786 -17.053 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.253 -1.193 -16.822 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.175 -1.841 -18.042 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.291 -3.433 -16.177 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.318 -3.747 -16.796 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.479 -2.447 -14.184 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.790 -3.618 -14.484 1.00 0.00 H new ATOM 732 N GLN A 50 -0.308 0.653 -14.920 1.00 0.00 N ATOM 733 CA GLN A 50 -0.815 1.949 -14.481 1.00 0.00 C ATOM 734 C GLN A 50 0.307 2.839 -13.951 1.00 0.00 C ATOM 735 O GLN A 50 0.051 3.940 -13.462 1.00 0.00 O ATOM 736 CB GLN A 50 -1.882 1.760 -13.401 1.00 0.00 C ATOM 737 CG GLN A 50 -3.199 2.449 -13.722 1.00 0.00 C ATOM 738 CD GLN A 50 -4.162 2.446 -12.549 1.00 0.00 C ATOM 739 OE1 GLN A 50 -3.775 2.174 -11.413 1.00 0.00 O ATOM 740 NE2 GLN A 50 -5.425 2.751 -12.822 1.00 0.00 N ATOM 0 H GLN A 50 -0.545 -0.122 -14.301 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.258 2.442 -15.346 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.063 0.694 -13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.502 2.144 -12.454 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.002 3.478 -14.023 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.667 1.952 -14.572 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.701 2.970 -13.779 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.119 2.766 -12.075 1.00 0.00 H new ATOM 749 N LEU A 51 1.546 2.357 -14.048 1.00 0.00 N ATOM 750 CA LEU A 51 2.705 3.106 -13.574 1.00 0.00 C ATOM 751 C LEU A 51 2.660 4.561 -14.037 1.00 0.00 C ATOM 752 O LEU A 51 2.030 4.885 -15.044 1.00 0.00 O ATOM 753 CB LEU A 51 3.993 2.439 -14.065 1.00 0.00 C ATOM 754 CG LEU A 51 4.525 2.954 -15.406 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.848 3.680 -15.213 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.682 1.807 -16.393 1.00 0.00 C ATOM 0 H LEU A 51 1.771 1.448 -14.452 1.00 0.00 H new ATOM 0 HA LEU A 51 2.685 3.102 -12.484 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.766 2.577 -13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.818 1.366 -14.150 1.00 0.00 H new ATOM 0 HG LEU A 51 3.803 3.661 -15.814 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.210 4.039 -16.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.704 4.527 -14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.579 2.996 -14.782 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.061 2.191 -17.340 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.383 1.075 -15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.715 1.332 -16.555 1.00 0.00 H new ATOM 768 N LYS A 52 3.343 5.429 -13.298 1.00 0.00 N ATOM 769 CA LYS A 52 3.388 6.848 -13.630 1.00 0.00 C ATOM 770 C LYS A 52 4.831 7.340 -13.724 1.00 0.00 C ATOM 771 O LYS A 52 5.448 7.281 -14.789 1.00 0.00 O ATOM 772 CB LYS A 52 2.621 7.662 -12.585 1.00 0.00 C ATOM 773 CG LYS A 52 1.195 7.180 -12.364 1.00 0.00 C ATOM 774 CD LYS A 52 0.508 7.961 -11.256 1.00 0.00 C ATOM 775 CE LYS A 52 -0.908 7.460 -11.017 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.502 8.036 -9.780 1.00 0.00 N ATOM 0 H LYS A 52 3.873 5.174 -12.465 1.00 0.00 H new ATOM 0 HA LYS A 52 2.915 6.985 -14.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.160 7.622 -11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.599 8.707 -12.895 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.628 7.283 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.203 6.120 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.086 7.874 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.482 9.019 -11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.533 7.717 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.900 6.373 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.467 7.669 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.921 7.770 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.534 9.072 -9.860 1.00 0.00 H new ATOM 790 N LYS A 53 5.364 7.827 -12.606 1.00 0.00 N ATOM 791 CA LYS A 53 6.734 8.323 -12.566 1.00 0.00 C ATOM 792 C LYS A 53 7.420 7.918 -11.264 1.00 0.00 C ATOM 793 O LYS A 53 8.563 8.296 -11.009 1.00 0.00 O ATOM 794 CB LYS A 53 6.754 9.847 -12.712 1.00 0.00 C ATOM 795 CG LYS A 53 5.634 10.547 -11.957 1.00 0.00 C ATOM 796 CD LYS A 53 4.551 11.043 -12.902 1.00 0.00 C ATOM 797 CE LYS A 53 4.692 12.531 -13.179 1.00 0.00 C ATOM 798 NZ LYS A 53 4.453 12.854 -14.613 1.00 0.00 N ATOM 0 H LYS A 53 4.867 7.888 -11.717 1.00 0.00 H new ATOM 0 HA LYS A 53 7.279 7.878 -13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.712 10.225 -12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.683 10.103 -13.769 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.199 9.860 -11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.042 11.388 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.604 10.491 -13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.570 10.844 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.986 13.084 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.691 12.860 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.559 13.878 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.143 12.346 -15.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.490 12.563 -14.879 1.00 0.00 H new ATOM 812 N GLY A 54 6.712 7.147 -10.445 1.00 0.00 N ATOM 813 CA GLY A 54 7.264 6.704 -9.178 1.00 0.00 C ATOM 814 C GLY A 54 6.188 6.324 -8.180 1.00 0.00 C ATOM 815 O GLY A 54 5.602 7.189 -7.530 1.00 0.00 O ATOM 0 H GLY A 54 5.765 6.821 -10.636 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.916 5.848 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.882 7.497 -8.757 1.00 0.00 H new ATOM 819 N GLU A 55 5.927 5.026 -8.061 1.00 0.00 N ATOM 820 CA GLU A 55 4.907 4.532 -7.143 1.00 0.00 C ATOM 821 C GLU A 55 5.533 3.943 -5.883 1.00 0.00 C ATOM 822 O GLU A 55 6.750 3.967 -5.710 1.00 0.00 O ATOM 823 CB GLU A 55 4.038 3.476 -7.826 1.00 0.00 C ATOM 824 CG GLU A 55 4.777 2.653 -8.867 1.00 0.00 C ATOM 825 CD GLU A 55 4.219 2.845 -10.263 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.073 2.413 -10.510 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.926 3.430 -11.110 1.00 0.00 O ATOM 0 H GLU A 55 6.408 4.297 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 55 4.285 5.380 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.633 2.806 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.190 3.969 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.832 2.927 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.720 1.598 -8.599 1.00 0.00 H new ATOM 834 N ILE A 56 4.679 3.418 -5.009 1.00 0.00 N ATOM 835 CA ILE A 56 5.115 2.815 -3.753 1.00 0.00 C ATOM 836 C ILE A 56 4.033 1.873 -3.219 1.00 0.00 C ATOM 837 O ILE A 56 2.856 2.029 -3.529 1.00 0.00 O ATOM 838 CB ILE A 56 5.449 3.901 -2.696 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.918 4.315 -2.806 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.147 3.418 -1.283 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.241 5.604 -2.082 1.00 0.00 C ATOM 0 H ILE A 56 3.669 3.398 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 56 6.023 2.244 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 56 4.816 4.765 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.543 3.517 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.178 4.425 -3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.393 4.204 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.088 3.172 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.743 2.532 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.299 5.834 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.643 6.415 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.013 5.493 -1.022 1.00 0.00 H new ATOM 853 N LEU A 57 4.436 0.883 -2.436 1.00 0.00 N ATOM 854 CA LEU A 57 3.485 -0.058 -1.865 1.00 0.00 C ATOM 855 C LEU A 57 3.769 -0.296 -0.409 1.00 0.00 C ATOM 856 O LEU A 57 4.903 -0.154 0.049 1.00 0.00 O ATOM 857 CB LEU A 57 3.549 -1.395 -2.586 1.00 0.00 C ATOM 858 CG LEU A 57 2.201 -2.061 -2.857 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.606 -1.546 -4.155 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.352 -3.573 -2.901 1.00 0.00 C ATOM 0 H LEU A 57 5.409 0.711 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 57 2.493 0.380 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.061 -1.251 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.160 -2.078 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 57 1.522 -1.808 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.646 -2.031 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.461 -0.468 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.283 -1.769 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.382 -4.030 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.047 -3.846 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.736 -3.928 -1.945 1.00 0.00 H new ATOM 872 N GLU A 58 2.745 -0.716 0.306 1.00 0.00 N ATOM 873 CA GLU A 58 2.909 -1.061 1.693 1.00 0.00 C ATOM 874 C GLU A 58 2.080 -2.293 2.027 1.00 0.00 C ATOM 875 O GLU A 58 0.852 -2.237 2.048 1.00 0.00 O ATOM 876 CB GLU A 58 2.515 0.109 2.604 1.00 0.00 C ATOM 877 CG GLU A 58 2.702 1.479 1.968 1.00 0.00 C ATOM 878 CD GLU A 58 1.762 2.522 2.541 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.534 2.365 2.382 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.255 3.495 3.149 1.00 0.00 O ATOM 0 H GLU A 58 1.797 -0.824 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 58 3.962 -1.283 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.471 -0.006 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.107 0.060 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.732 1.805 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.540 1.401 0.893 1.00 0.00 H new ATOM 887 N VAL A 59 2.760 -3.402 2.280 1.00 0.00 N ATOM 888 CA VAL A 59 2.088 -4.662 2.566 1.00 0.00 C ATOM 889 C VAL A 59 2.414 -5.162 3.966 1.00 0.00 C ATOM 890 O VAL A 59 3.577 -5.334 4.321 1.00 0.00 O ATOM 891 CB VAL A 59 2.486 -5.751 1.552 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.803 -7.067 1.888 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.149 -5.313 0.136 1.00 0.00 C ATOM 0 H VAL A 59 3.779 -3.455 2.293 1.00 0.00 H new ATOM 0 HA VAL A 59 1.018 -4.467 2.491 1.00 0.00 H new ATOM 0 HB VAL A 59 3.564 -5.901 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.096 -7.825 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.101 -7.387 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.722 -6.934 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.438 -6.096 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.077 -5.132 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.690 -4.397 -0.100 1.00 0.00 H new ATOM 903 N VAL A 60 1.372 -5.402 4.751 1.00 0.00 N ATOM 904 CA VAL A 60 1.530 -5.929 6.098 1.00 0.00 C ATOM 905 C VAL A 60 0.576 -7.098 6.307 1.00 0.00 C ATOM 906 O VAL A 60 -0.610 -6.909 6.577 1.00 0.00 O ATOM 907 CB VAL A 60 1.275 -4.852 7.169 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.381 -5.446 8.566 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.252 -3.698 7.000 1.00 0.00 C ATOM 0 H VAL A 60 0.404 -5.239 4.475 1.00 0.00 H new ATOM 0 HA VAL A 60 2.561 -6.266 6.205 1.00 0.00 H new ATOM 0 HB VAL A 60 0.262 -4.470 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.197 -4.668 9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.642 -6.239 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.380 -5.857 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.060 -2.944 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.272 -4.067 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.124 -3.255 6.012 1.00 0.00 H new ATOM 919 N SER A 61 1.086 -8.306 6.123 1.00 0.00 N ATOM 920 CA SER A 61 0.260 -9.492 6.244 1.00 0.00 C ATOM 921 C SER A 61 0.901 -10.536 7.143 1.00 0.00 C ATOM 922 O SER A 61 2.037 -10.379 7.590 1.00 0.00 O ATOM 923 CB SER A 61 0.000 -10.090 4.861 1.00 0.00 C ATOM 924 OG SER A 61 1.211 -10.275 4.150 1.00 0.00 O ATOM 0 H SER A 61 2.062 -8.488 5.891 1.00 0.00 H new ATOM 0 HA SER A 61 -0.684 -9.193 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.514 -11.046 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.661 -9.433 4.296 1.00 0.00 H new ATOM 0 HG SER A 61 1.018 -10.660 3.270 1.00 0.00 H new ATOM 930 N ASP A 62 0.176 -11.623 7.361 1.00 0.00 N ATOM 931 CA ASP A 62 0.665 -12.715 8.193 1.00 0.00 C ATOM 932 C ASP A 62 0.800 -13.990 7.367 1.00 0.00 C ATOM 933 O ASP A 62 -0.107 -14.353 6.616 1.00 0.00 O ATOM 934 CB ASP A 62 -0.283 -12.954 9.366 1.00 0.00 C ATOM 935 CG ASP A 62 0.402 -12.784 10.707 1.00 0.00 C ATOM 936 OD1 ASP A 62 1.635 -12.971 10.770 1.00 0.00 O ATOM 937 OD2 ASP A 62 -0.294 -12.464 11.693 1.00 0.00 O ATOM 0 H ASP A 62 -0.755 -11.774 6.973 1.00 0.00 H new ATOM 0 HA ASP A 62 1.645 -12.440 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.121 -12.261 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.695 -13.961 9.297 1.00 0.00 H new ATOM 942 N CYS A 63 1.951 -14.645 7.483 1.00 0.00 N ATOM 943 CA CYS A 63 2.214 -15.868 6.734 1.00 0.00 C ATOM 944 C CYS A 63 3.033 -16.854 7.564 1.00 0.00 C ATOM 945 O CYS A 63 4.061 -16.489 8.135 1.00 0.00 O ATOM 946 CB CYS A 63 2.954 -15.545 5.435 1.00 0.00 C ATOM 947 SG CYS A 63 2.072 -14.407 4.342 1.00 0.00 S ATOM 0 H CYS A 63 2.716 -14.349 8.089 1.00 0.00 H new ATOM 0 HA CYS A 63 1.255 -16.329 6.497 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.925 -15.115 5.681 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.143 -16.474 4.897 1.00 0.00 H new ATOM 0 HG CYS A 63 2.870 -13.447 3.979 1.00 0.00 H new ATOM 953 N PRO A 64 2.596 -18.125 7.632 1.00 0.00 N ATOM 954 CA PRO A 64 3.301 -19.159 8.391 1.00 0.00 C ATOM 955 C PRO A 64 4.565 -19.638 7.684 1.00 0.00 C ATOM 956 O PRO A 64 5.232 -20.565 8.144 1.00 0.00 O ATOM 957 CB PRO A 64 2.275 -20.288 8.480 1.00 0.00 C ATOM 958 CG PRO A 64 1.433 -20.128 7.261 1.00 0.00 C ATOM 959 CD PRO A 64 1.379 -18.649 6.981 1.00 0.00 C ATOM 0 HA PRO A 64 3.642 -18.795 9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.760 -21.264 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.677 -20.210 9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.862 -20.669 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.433 -20.531 7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.378 -18.444 5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.477 -18.196 7.394 1.00 0.00 H new ATOM 967 N GLN A 65 4.887 -19.000 6.561 1.00 0.00 N ATOM 968 CA GLN A 65 6.070 -19.364 5.787 1.00 0.00 C ATOM 969 C GLN A 65 6.945 -18.142 5.520 1.00 0.00 C ATOM 970 O GLN A 65 6.847 -17.132 6.216 1.00 0.00 O ATOM 971 CB GLN A 65 5.656 -20.013 4.464 1.00 0.00 C ATOM 972 CG GLN A 65 5.509 -21.524 4.549 1.00 0.00 C ATOM 973 CD GLN A 65 4.948 -22.129 3.278 1.00 0.00 C ATOM 974 OE1 GLN A 65 3.784 -21.920 2.937 1.00 0.00 O ATOM 975 NE2 GLN A 65 5.776 -22.889 2.569 1.00 0.00 N ATOM 0 H GLN A 65 4.346 -18.230 6.168 1.00 0.00 H new ATOM 0 HA GLN A 65 6.651 -20.080 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.710 -19.582 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.397 -19.770 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.482 -21.968 4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.856 -21.775 5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.733 -23.036 2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.454 -23.326 1.705 1.00 0.00 H new ATOM 984 N SER A 66 7.805 -18.243 4.509 1.00 0.00 N ATOM 985 CA SER A 66 8.705 -17.151 4.155 1.00 0.00 C ATOM 986 C SER A 66 8.322 -16.536 2.812 1.00 0.00 C ATOM 987 O SER A 66 8.588 -15.362 2.558 1.00 0.00 O ATOM 988 CB SER A 66 10.148 -17.654 4.101 1.00 0.00 C ATOM 989 OG SER A 66 11.068 -16.595 4.307 1.00 0.00 O ATOM 0 H SER A 66 7.897 -19.071 3.921 1.00 0.00 H new ATOM 0 HA SER A 66 8.619 -16.382 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.297 -18.422 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.337 -18.121 3.134 1.00 0.00 H new ATOM 0 HG SER A 66 11.983 -16.944 4.269 1.00 0.00 H new ATOM 995 N ILE A 67 7.704 -17.343 1.953 1.00 0.00 N ATOM 996 CA ILE A 67 7.293 -16.885 0.629 1.00 0.00 C ATOM 997 C ILE A 67 6.377 -15.669 0.722 1.00 0.00 C ATOM 998 O ILE A 67 5.381 -15.682 1.446 1.00 0.00 O ATOM 999 CB ILE A 67 6.569 -18.001 -0.148 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.369 -19.303 -0.078 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.352 -17.586 -1.596 1.00 0.00 C ATOM 1002 CD1 ILE A 67 6.553 -20.490 0.381 1.00 0.00 C ATOM 0 H ILE A 67 7.477 -18.318 2.150 1.00 0.00 H new ATOM 0 HA ILE A 67 8.202 -16.608 0.095 1.00 0.00 H new ATOM 0 HB ILE A 67 5.595 -18.168 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.785 -19.517 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.211 -19.167 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.839 -18.386 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.745 -16.681 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.316 -17.394 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.185 -21.378 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.158 -20.296 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.727 -20.653 -0.311 1.00 0.00 H new ATOM 1014 N ASN A 68 6.720 -14.620 -0.021 1.00 0.00 N ATOM 1015 CA ASN A 68 5.928 -13.394 -0.030 1.00 0.00 C ATOM 1016 C ASN A 68 4.903 -13.420 -1.160 1.00 0.00 C ATOM 1017 O ASN A 68 5.249 -13.639 -2.320 1.00 0.00 O ATOM 1018 CB ASN A 68 6.841 -12.175 -0.173 1.00 0.00 C ATOM 1019 CG ASN A 68 8.069 -12.464 -1.013 1.00 0.00 C ATOM 1020 OD1 ASN A 68 9.154 -12.709 -0.484 1.00 0.00 O ATOM 1021 ND2 ASN A 68 7.907 -12.432 -2.331 1.00 0.00 N ATOM 0 H ASN A 68 7.542 -14.595 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 68 5.393 -13.325 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.280 -11.356 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.152 -11.840 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.699 -12.615 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.990 -12.225 -2.727 1.00 0.00 H new ATOM 1028 N ASN A 69 3.637 -13.215 -0.806 1.00 0.00 N ATOM 1029 CA ASN A 69 2.547 -13.253 -1.777 1.00 0.00 C ATOM 1030 C ASN A 69 2.542 -12.024 -2.688 1.00 0.00 C ATOM 1031 O ASN A 69 2.864 -12.122 -3.872 1.00 0.00 O ATOM 1032 CB ASN A 69 1.206 -13.368 -1.052 1.00 0.00 C ATOM 1033 CG ASN A 69 1.210 -14.471 -0.011 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.613 -15.529 -0.209 1.00 0.00 O ATOM 1035 ND2 ASN A 69 1.891 -14.232 1.102 1.00 0.00 N ATOM 0 H ASN A 69 3.340 -13.020 0.150 1.00 0.00 H new ATOM 0 HA ASN A 69 2.703 -14.128 -2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.972 -12.418 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.417 -13.560 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.934 -14.940 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.371 -13.341 1.224 1.00 0.00 H new ATOM 1042 N ILE A 70 2.130 -10.881 -2.138 1.00 0.00 N ATOM 1043 CA ILE A 70 2.036 -9.642 -2.915 1.00 0.00 C ATOM 1044 C ILE A 70 3.290 -9.407 -3.768 1.00 0.00 C ATOM 1045 O ILE A 70 3.185 -9.193 -4.978 1.00 0.00 O ATOM 1046 CB ILE A 70 1.785 -8.403 -2.018 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.938 -8.766 -0.790 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.111 -7.295 -2.818 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.349 -9.495 -1.118 1.00 0.00 C ATOM 0 H ILE A 70 1.856 -10.786 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 70 1.178 -9.770 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 70 2.752 -8.044 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.534 -9.387 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.697 -7.853 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.942 -6.432 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.752 -7.006 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.156 -7.653 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.888 -9.715 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.968 -8.869 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.118 -10.427 -1.634 1.00 0.00 H new ATOM 1061 N PRO A 71 4.497 -9.462 -3.166 1.00 0.00 N ATOM 1062 CA PRO A 71 5.751 -9.245 -3.899 1.00 0.00 C ATOM 1063 C PRO A 71 5.962 -10.258 -5.017 1.00 0.00 C ATOM 1064 O PRO A 71 6.604 -9.957 -6.020 1.00 0.00 O ATOM 1065 CB PRO A 71 6.834 -9.406 -2.829 1.00 0.00 C ATOM 1066 CG PRO A 71 6.133 -9.175 -1.539 1.00 0.00 C ATOM 1067 CD PRO A 71 4.742 -9.703 -1.732 1.00 0.00 C ATOM 0 HA PRO A 71 5.759 -8.272 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.280 -10.400 -2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.642 -8.689 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.637 -9.690 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.118 -8.115 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.673 -10.762 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.020 -9.180 -1.105 1.00 0.00 H new ATOM 1075 N LEU A 72 5.436 -11.467 -4.833 1.00 0.00 N ATOM 1076 CA LEU A 72 5.581 -12.520 -5.833 1.00 0.00 C ATOM 1077 C LEU A 72 4.940 -12.106 -7.152 1.00 0.00 C ATOM 1078 O LEU A 72 5.412 -12.477 -8.228 1.00 0.00 O ATOM 1079 CB LEU A 72 4.950 -13.822 -5.334 1.00 0.00 C ATOM 1080 CG LEU A 72 5.388 -15.080 -6.087 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.446 -15.833 -5.295 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.192 -15.976 -6.372 1.00 0.00 C ATOM 0 H LEU A 72 4.908 -11.740 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 72 6.646 -12.683 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.193 -13.945 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.866 -13.733 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 72 5.823 -14.778 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.746 -16.725 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.314 -15.191 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.038 -16.124 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.523 -16.865 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.726 -16.271 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.468 -15.434 -6.981 1.00 0.00 H new ATOM 1094 N ASP A 73 3.864 -11.332 -7.062 1.00 0.00 N ATOM 1095 CA ASP A 73 3.160 -10.860 -8.248 1.00 0.00 C ATOM 1096 C ASP A 73 4.000 -9.839 -9.006 1.00 0.00 C ATOM 1097 O ASP A 73 4.307 -10.027 -10.183 1.00 0.00 O ATOM 1098 CB ASP A 73 1.815 -10.244 -7.856 1.00 0.00 C ATOM 1099 CG ASP A 73 0.807 -11.290 -7.421 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.149 -12.119 -6.552 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.325 -11.280 -7.950 1.00 0.00 O ATOM 0 H ASP A 73 3.460 -11.018 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 73 2.983 -11.714 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.967 -9.531 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.414 -9.686 -8.702 1.00 0.00 H new ATOM 1106 N ALA A 74 4.376 -8.760 -8.324 1.00 0.00 N ATOM 1107 CA ALA A 74 5.189 -7.714 -8.937 1.00 0.00 C ATOM 1108 C ALA A 74 6.520 -8.275 -9.425 1.00 0.00 C ATOM 1109 O ALA A 74 7.038 -7.858 -10.460 1.00 0.00 O ATOM 1110 CB ALA A 74 5.418 -6.576 -7.955 1.00 0.00 C ATOM 0 H ALA A 74 4.131 -8.588 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 74 4.649 -7.325 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.026 -5.804 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.458 -6.152 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.934 -6.955 -7.073 1.00 0.00 H new ATOM 1116 N ARG A 75 7.063 -9.230 -8.677 1.00 0.00 N ATOM 1117 CA ARG A 75 8.324 -9.864 -9.038 1.00 0.00 C ATOM 1118 C ARG A 75 8.180 -10.644 -10.341 1.00 0.00 C ATOM 1119 O ARG A 75 9.094 -10.674 -11.164 1.00 0.00 O ATOM 1120 CB ARG A 75 8.788 -10.798 -7.917 1.00 0.00 C ATOM 1121 CG ARG A 75 10.031 -11.601 -8.267 1.00 0.00 C ATOM 1122 CD ARG A 75 11.136 -11.394 -7.244 1.00 0.00 C ATOM 1123 NE ARG A 75 10.955 -12.237 -6.065 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.656 -13.343 -5.832 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.582 -13.740 -6.695 1.00 0.00 N ATOM 1126 NH2 ARG A 75 11.431 -14.054 -4.736 1.00 0.00 N ATOM 0 H ARG A 75 6.647 -9.582 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 75 9.071 -9.083 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.987 -10.207 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.979 -11.486 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.778 -12.660 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.388 -11.308 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.100 -11.614 -7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.158 -10.347 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 75 10.250 -11.962 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.758 -13.197 -7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.118 -14.589 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.719 -13.753 -4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.969 -14.902 -4.559 1.00 0.00 H new ATOM 1140 N ASN A 76 7.020 -11.271 -10.521 1.00 0.00 N ATOM 1141 CA ASN A 76 6.748 -12.045 -11.726 1.00 0.00 C ATOM 1142 C ASN A 76 6.825 -11.160 -12.965 1.00 0.00 C ATOM 1143 O ASN A 76 7.620 -11.412 -13.871 1.00 0.00 O ATOM 1144 CB ASN A 76 5.368 -12.701 -11.635 1.00 0.00 C ATOM 1145 CG ASN A 76 5.390 -14.156 -12.064 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.758 -15.008 -11.441 1.00 0.00 O ATOM 1147 ND2 ASN A 76 6.123 -14.449 -13.132 1.00 0.00 N ATOM 0 H ASN A 76 6.255 -11.257 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 76 7.506 -12.824 -11.810 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.003 -12.633 -10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.665 -12.151 -12.261 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.177 -15.412 -13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.632 -13.711 -13.619 1.00 0.00 H new ATOM 1154 N HIS A 77 6.006 -10.113 -12.991 1.00 0.00 N ATOM 1155 CA HIS A 77 5.998 -9.177 -14.110 1.00 0.00 C ATOM 1156 C HIS A 77 7.331 -8.441 -14.196 1.00 0.00 C ATOM 1157 O HIS A 77 8.081 -8.605 -15.158 1.00 0.00 O ATOM 1158 CB HIS A 77 4.854 -8.173 -13.956 1.00 0.00 C ATOM 1159 CG HIS A 77 3.782 -8.324 -14.988 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.609 -7.394 -15.985 1.00 0.00 N ATOM 1161 CD2 HIS A 77 2.858 -9.307 -15.135 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.592 -7.824 -16.711 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.107 -8.979 -16.234 1.00 0.00 N ATOM 0 H HIS A 77 5.340 -9.892 -12.251 1.00 0.00 H new ATOM 0 HA HIS A 77 5.849 -9.741 -15.031 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.412 -8.287 -12.966 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.259 -7.162 -14.010 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.738 -10.178 -14.508 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.202 -7.311 -17.577 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.327 -9.513 -16.616 1.00 0.00 H new ATOM 1171 N GLY A 78 7.627 -7.643 -13.173 1.00 0.00 N ATOM 1172 CA GLY A 78 8.883 -6.917 -13.138 1.00 0.00 C ATOM 1173 C GLY A 78 8.707 -5.444 -12.828 1.00 0.00 C ATOM 1174 O GLY A 78 8.700 -4.610 -13.734 1.00 0.00 O ATOM 0 H GLY A 78 7.019 -7.487 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.535 -7.365 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.384 -7.023 -14.100 1.00 0.00 H new ATOM 1178 N TYR A 79 8.586 -5.118 -11.543 1.00 0.00 N ATOM 1179 CA TYR A 79 8.439 -3.731 -11.118 1.00 0.00 C ATOM 1180 C TYR A 79 9.805 -3.074 -10.945 1.00 0.00 C ATOM 1181 O TYR A 79 10.829 -3.646 -11.318 1.00 0.00 O ATOM 1182 CB TYR A 79 7.650 -3.650 -9.808 1.00 0.00 C ATOM 1183 CG TYR A 79 6.437 -2.748 -9.881 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.555 -1.418 -10.268 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.174 -3.226 -9.556 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.449 -0.593 -10.334 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.062 -2.407 -9.619 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.206 -1.092 -10.008 1.00 0.00 C ATOM 1189 OH TYR A 79 3.102 -0.273 -10.072 1.00 0.00 O ATOM 0 H TYR A 79 8.587 -5.795 -10.780 1.00 0.00 H new ATOM 0 HA TYR A 79 7.889 -3.196 -11.892 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.329 -4.653 -9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.311 -3.292 -9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.528 -1.023 -10.521 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.059 -4.255 -9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.558 0.437 -10.639 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.087 -2.795 -9.365 1.00 0.00 H new ATOM 0 HH TYR A 79 3.332 0.549 -10.554 1.00 0.00 H new ATOM 1199 N THR A 80 9.813 -1.873 -10.377 1.00 0.00 N ATOM 1200 CA THR A 80 11.054 -1.141 -10.158 1.00 0.00 C ATOM 1201 C THR A 80 11.814 -1.700 -8.961 1.00 0.00 C ATOM 1202 O THR A 80 12.899 -2.263 -9.110 1.00 0.00 O ATOM 1203 CB THR A 80 10.760 0.344 -9.942 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.580 0.724 -10.626 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.876 1.251 -10.411 1.00 0.00 C ATOM 0 H THR A 80 8.974 -1.386 -10.060 1.00 0.00 H new ATOM 0 HA THR A 80 11.677 -1.258 -11.045 1.00 0.00 H new ATOM 0 HB THR A 80 10.649 0.463 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.753 0.744 -11.590 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.602 2.290 -10.228 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.790 1.016 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.042 1.102 -11.478 1.00 0.00 H new ATOM 1213 N VAL A 81 11.239 -1.540 -7.773 1.00 0.00 N ATOM 1214 CA VAL A 81 11.864 -2.029 -6.551 1.00 0.00 C ATOM 1215 C VAL A 81 10.908 -2.918 -5.759 1.00 0.00 C ATOM 1216 O VAL A 81 9.773 -2.536 -5.487 1.00 0.00 O ATOM 1217 CB VAL A 81 12.336 -0.871 -5.652 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.230 -1.390 -4.536 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.059 0.186 -6.475 1.00 0.00 C ATOM 0 H VAL A 81 10.342 -1.076 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 81 12.731 -2.614 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 81 11.459 -0.409 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.553 -0.557 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.675 -2.105 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.103 -1.880 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.385 0.996 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.927 -0.261 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.384 0.581 -7.234 1.00 0.00 H new ATOM 1229 N LEU A 82 11.384 -4.105 -5.398 1.00 0.00 N ATOM 1230 CA LEU A 82 10.588 -5.064 -4.642 1.00 0.00 C ATOM 1231 C LEU A 82 11.375 -5.595 -3.445 1.00 0.00 C ATOM 1232 O LEU A 82 12.222 -6.476 -3.592 1.00 0.00 O ATOM 1233 CB LEU A 82 10.173 -6.229 -5.547 1.00 0.00 C ATOM 1234 CG LEU A 82 8.673 -6.334 -5.837 1.00 0.00 C ATOM 1235 CD1 LEU A 82 7.904 -6.636 -4.560 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.162 -5.055 -6.483 1.00 0.00 C ATOM 0 H LEU A 82 12.326 -4.427 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 82 9.696 -4.556 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.703 -6.137 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.503 -7.160 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 82 8.514 -7.155 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.840 -6.707 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.251 -7.581 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.070 -5.837 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.094 -5.149 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.334 -4.214 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.692 -4.884 -7.420 1.00 0.00 H new ATOM 1248 N ASP A 83 11.098 -5.049 -2.263 1.00 0.00 N ATOM 1249 CA ASP A 83 11.789 -5.468 -1.048 1.00 0.00 C ATOM 1250 C ASP A 83 10.796 -5.879 0.034 1.00 0.00 C ATOM 1251 O ASP A 83 9.595 -5.636 -0.090 1.00 0.00 O ATOM 1252 CB ASP A 83 12.683 -4.340 -0.530 1.00 0.00 C ATOM 1253 CG ASP A 83 14.144 -4.556 -0.871 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.775 -5.437 -0.249 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.659 -3.844 -1.759 1.00 0.00 O ATOM 0 H ASP A 83 10.402 -4.317 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 83 12.407 -6.331 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.350 -3.393 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.573 -4.261 0.552 1.00 0.00 H new ATOM 1260 N ILE A 84 11.302 -6.510 1.089 1.00 0.00 N ATOM 1261 CA ILE A 84 10.455 -6.952 2.192 1.00 0.00 C ATOM 1262 C ILE A 84 11.110 -6.667 3.543 1.00 0.00 C ATOM 1263 O ILE A 84 12.189 -6.079 3.612 1.00 0.00 O ATOM 1264 CB ILE A 84 10.128 -8.457 2.098 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.373 -9.299 2.394 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.569 -8.796 0.724 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.089 -10.781 2.516 1.00 0.00 C ATOM 0 H ILE A 84 12.292 -6.727 1.204 1.00 0.00 H new ATOM 0 HA ILE A 84 9.527 -6.386 2.114 1.00 0.00 H new ATOM 0 HB ILE A 84 9.370 -8.691 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.104 -9.142 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.827 -8.947 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.344 -9.861 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.657 -8.224 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.305 -8.545 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.017 -11.313 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.382 -10.950 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.663 -11.148 1.582 1.00 0.00 H new ATOM 1279 N GLN A 85 10.436 -7.080 4.611 1.00 0.00 N ATOM 1280 CA GLN A 85 10.936 -6.882 5.966 1.00 0.00 C ATOM 1281 C GLN A 85 10.359 -7.934 6.907 1.00 0.00 C ATOM 1282 O GLN A 85 9.558 -8.772 6.493 1.00 0.00 O ATOM 1283 CB GLN A 85 10.580 -5.480 6.465 1.00 0.00 C ATOM 1284 CG GLN A 85 11.722 -4.483 6.344 1.00 0.00 C ATOM 1285 CD GLN A 85 11.238 -3.056 6.178 1.00 0.00 C ATOM 1286 OE1 GLN A 85 10.832 -2.410 7.144 1.00 0.00 O ATOM 1287 NE2 GLN A 85 11.281 -2.555 4.949 1.00 0.00 N ATOM 0 H GLN A 85 9.536 -7.557 4.563 1.00 0.00 H new ATOM 0 HA GLN A 85 12.021 -6.985 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.724 -5.109 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.272 -5.542 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.351 -4.548 7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.345 -4.752 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.625 -3.126 4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.970 -1.599 4.777 1.00 0.00 H new ATOM 1296 N GLN A 86 10.758 -7.884 8.175 1.00 0.00 N ATOM 1297 CA GLN A 86 10.276 -8.844 9.162 1.00 0.00 C ATOM 1298 C GLN A 86 10.168 -8.210 10.545 1.00 0.00 C ATOM 1299 O GLN A 86 11.010 -7.402 10.937 1.00 0.00 O ATOM 1300 CB GLN A 86 11.207 -10.056 9.218 1.00 0.00 C ATOM 1301 CG GLN A 86 10.686 -11.186 10.093 1.00 0.00 C ATOM 1302 CD GLN A 86 11.787 -12.120 10.555 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.147 -13.067 9.856 1.00 0.00 O ATOM 1304 NE2 GLN A 86 12.327 -11.857 11.739 1.00 0.00 N ATOM 0 H GLN A 86 11.411 -7.192 8.542 1.00 0.00 H new ATOM 0 HA GLN A 86 9.281 -9.166 8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.360 -10.432 8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.181 -9.738 9.591 1.00 0.00 H new ATOM 0 HG2 GLN A 86 10.183 -10.764 10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.940 -11.756 9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.997 -11.061 12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.072 -12.451 12.103 1.00 0.00 H new ATOM 1313 N ASP A 87 9.127 -8.590 11.282 1.00 0.00 N ATOM 1314 CA ASP A 87 8.910 -8.075 12.630 1.00 0.00 C ATOM 1315 C ASP A 87 8.679 -9.227 13.607 1.00 0.00 C ATOM 1316 O ASP A 87 9.359 -10.252 13.535 1.00 0.00 O ATOM 1317 CB ASP A 87 7.719 -7.113 12.643 1.00 0.00 C ATOM 1318 CG ASP A 87 7.866 -6.021 13.685 1.00 0.00 C ATOM 1319 OD1 ASP A 87 8.731 -6.162 14.576 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.115 -5.026 13.612 1.00 0.00 O ATOM 0 H ASP A 87 8.420 -9.254 10.967 1.00 0.00 H new ATOM 0 HA ASP A 87 9.800 -7.529 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.612 -6.659 11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.805 -7.674 12.836 1.00 0.00 H new ATOM 1325 N GLY A 88 7.720 -9.061 14.514 1.00 0.00 N ATOM 1326 CA GLY A 88 7.418 -10.110 15.470 1.00 0.00 C ATOM 1327 C GLY A 88 6.783 -11.321 14.810 1.00 0.00 C ATOM 1328 O GLY A 88 7.406 -11.963 13.964 1.00 0.00 O ATOM 0 H GLY A 88 7.149 -8.221 14.603 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.335 -10.413 15.976 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.746 -9.720 16.234 1.00 0.00 H new ATOM 1332 N PRO A 89 5.528 -11.655 15.162 1.00 0.00 N ATOM 1333 CA PRO A 89 4.826 -12.798 14.584 1.00 0.00 C ATOM 1334 C PRO A 89 4.147 -12.459 13.259 1.00 0.00 C ATOM 1335 O PRO A 89 3.147 -13.074 12.891 1.00 0.00 O ATOM 1336 CB PRO A 89 3.786 -13.123 15.651 1.00 0.00 C ATOM 1337 CG PRO A 89 3.454 -11.804 16.263 1.00 0.00 C ATOM 1338 CD PRO A 89 4.700 -10.956 16.165 1.00 0.00 C ATOM 0 HA PRO A 89 5.499 -13.622 14.347 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.904 -13.592 15.215 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.182 -13.816 16.393 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.622 -11.332 15.739 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.149 -11.925 17.302 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.467 -9.938 15.851 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.211 -10.885 17.125 1.00 0.00 H new ATOM 1346 N THR A 90 4.692 -11.472 12.552 1.00 0.00 N ATOM 1347 CA THR A 90 4.134 -11.045 11.271 1.00 0.00 C ATOM 1348 C THR A 90 5.239 -10.688 10.285 1.00 0.00 C ATOM 1349 O THR A 90 6.426 -10.810 10.591 1.00 0.00 O ATOM 1350 CB THR A 90 3.210 -9.842 11.470 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.908 -8.771 12.082 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.998 -10.148 12.321 1.00 0.00 C ATOM 0 H THR A 90 5.520 -10.953 12.844 1.00 0.00 H new ATOM 0 HA THR A 90 3.560 -11.876 10.861 1.00 0.00 H new ATOM 0 HB THR A 90 2.869 -9.573 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.302 -8.010 12.200 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.387 -9.251 12.421 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.411 -10.936 11.849 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.321 -10.479 13.308 1.00 0.00 H new ATOM 1360 N ILE A 91 4.836 -10.240 9.100 1.00 0.00 N ATOM 1361 CA ILE A 91 5.784 -9.872 8.056 1.00 0.00 C ATOM 1362 C ILE A 91 5.219 -8.759 7.176 1.00 0.00 C ATOM 1363 O ILE A 91 4.004 -8.648 7.007 1.00 0.00 O ATOM 1364 CB ILE A 91 6.139 -11.088 7.180 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.266 -10.732 6.209 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.906 -11.578 6.430 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.045 -11.931 5.714 1.00 0.00 C ATOM 0 H ILE A 91 3.857 -10.123 8.839 1.00 0.00 H new ATOM 0 HA ILE A 91 6.689 -9.513 8.547 1.00 0.00 H new ATOM 0 HB ILE A 91 6.488 -11.896 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.843 -10.206 5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.952 -10.042 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.172 -12.438 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.136 -11.868 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.527 -10.779 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.827 -11.600 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.498 -12.446 6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.372 -12.612 5.193 1.00 0.00 H new ATOM 1379 N ARG A 92 6.101 -7.930 6.622 1.00 0.00 N ATOM 1380 CA ARG A 92 5.675 -6.825 5.772 1.00 0.00 C ATOM 1381 C ARG A 92 6.599 -6.662 4.566 1.00 0.00 C ATOM 1382 O ARG A 92 7.816 -6.795 4.680 1.00 0.00 O ATOM 1383 CB ARG A 92 5.625 -5.523 6.584 1.00 0.00 C ATOM 1384 CG ARG A 92 6.864 -4.653 6.440 1.00 0.00 C ATOM 1385 CD ARG A 92 6.843 -3.481 7.408 1.00 0.00 C ATOM 1386 NE ARG A 92 5.723 -2.579 7.153 1.00 0.00 N ATOM 1387 CZ ARG A 92 5.803 -1.256 7.257 1.00 0.00 C ATOM 1388 NH1 ARG A 92 6.946 -0.682 7.607 1.00 0.00 N ATOM 1389 NH2 ARG A 92 4.739 -0.504 7.009 1.00 0.00 N ATOM 0 H ARG A 92 7.111 -8.003 6.747 1.00 0.00 H new ATOM 0 HA ARG A 92 4.676 -7.052 5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.752 -4.948 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.487 -5.769 7.637 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.755 -5.256 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.930 -4.280 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.781 -3.856 8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.779 -2.928 7.328 1.00 0.00 H new ATOM 0 HE ARG A 92 4.829 -2.987 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.768 -1.256 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.004 0.333 7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.858 -0.941 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.802 0.511 7.089 1.00 0.00 H new ATOM 1403 N TYR A 93 6.010 -6.358 3.412 1.00 0.00 N ATOM 1404 CA TYR A 93 6.775 -6.139 2.190 1.00 0.00 C ATOM 1405 C TYR A 93 6.386 -4.806 1.559 1.00 0.00 C ATOM 1406 O TYR A 93 5.227 -4.401 1.622 1.00 0.00 O ATOM 1407 CB TYR A 93 6.537 -7.272 1.190 1.00 0.00 C ATOM 1408 CG TYR A 93 5.917 -8.511 1.794 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.670 -9.388 2.561 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.579 -8.812 1.579 1.00 0.00 C ATOM 1411 CE1 TYR A 93 6.105 -10.527 3.104 1.00 0.00 C ATOM 1412 CE2 TYR A 93 4.005 -9.945 2.121 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.772 -10.798 2.884 1.00 0.00 C ATOM 1414 OH TYR A 93 4.205 -11.929 3.425 1.00 0.00 O ATOM 0 H TYR A 93 5.001 -6.258 3.299 1.00 0.00 H new ATOM 0 HA TYR A 93 7.833 -6.120 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.890 -6.907 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.488 -7.542 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.715 -9.178 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.976 -8.148 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.705 -11.201 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.961 -10.161 1.948 1.00 0.00 H new ATOM 0 HH TYR A 93 4.884 -12.632 3.500 1.00 0.00 H new ATOM 1424 N LEU A 94 7.353 -4.127 0.954 1.00 0.00 N ATOM 1425 CA LEU A 94 7.092 -2.833 0.332 1.00 0.00 C ATOM 1426 C LEU A 94 7.804 -2.705 -1.011 1.00 0.00 C ATOM 1427 O LEU A 94 8.862 -3.299 -1.224 1.00 0.00 O ATOM 1428 CB LEU A 94 7.539 -1.702 1.261 1.00 0.00 C ATOM 1429 CG LEU A 94 8.756 -2.021 2.131 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.652 -0.798 2.259 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.315 -2.508 3.503 1.00 0.00 C ATOM 0 H LEU A 94 8.319 -4.447 0.880 1.00 0.00 H new ATOM 0 HA LEU A 94 6.019 -2.760 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.764 -0.823 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.706 -1.436 1.912 1.00 0.00 H new ATOM 0 HG LEU A 94 9.327 -2.816 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.513 -1.041 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.993 -0.492 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.092 0.017 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.193 -2.731 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.724 -1.733 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.712 -3.409 3.393 1.00 0.00 H new ATOM 1443 N ILE A 95 7.220 -1.918 -1.911 1.00 0.00 N ATOM 1444 CA ILE A 95 7.806 -1.687 -3.229 1.00 0.00 C ATOM 1445 C ILE A 95 7.825 -0.195 -3.552 1.00 0.00 C ATOM 1446 O ILE A 95 7.071 0.582 -2.970 1.00 0.00 O ATOM 1447 CB ILE A 95 7.059 -2.470 -4.339 1.00 0.00 C ATOM 1448 CG1 ILE A 95 5.992 -1.601 -5.023 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.418 -3.723 -3.761 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.480 -0.922 -6.284 1.00 0.00 C ATOM 0 H ILE A 95 6.340 -1.428 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 95 8.831 -2.057 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 95 7.793 -2.756 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.130 -2.223 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.649 -0.841 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.897 -4.263 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.190 -4.362 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.707 -3.443 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.674 -0.326 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.323 -0.274 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.795 -1.676 -7.005 1.00 0.00 H new ATOM 1462 N GLN A 96 8.710 0.207 -4.457 1.00 0.00 N ATOM 1463 CA GLN A 96 8.820 1.611 -4.837 1.00 0.00 C ATOM 1464 C GLN A 96 9.389 1.760 -6.243 1.00 0.00 C ATOM 1465 O GLN A 96 10.059 0.860 -6.751 1.00 0.00 O ATOM 1466 CB GLN A 96 9.703 2.361 -3.837 1.00 0.00 C ATOM 1467 CG GLN A 96 11.136 1.854 -3.788 1.00 0.00 C ATOM 1468 CD GLN A 96 11.657 1.715 -2.371 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.255 0.812 -1.636 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.556 2.610 -1.980 1.00 0.00 N ATOM 0 H GLN A 96 9.359 -0.415 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 96 7.818 2.040 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.710 3.420 -4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.263 2.278 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.193 0.887 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.779 2.538 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.860 3.341 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.942 2.566 -1.037 1.00 0.00 H new ATOM 1479 N LYS A 97 9.133 2.909 -6.860 1.00 0.00 N ATOM 1480 CA LYS A 97 9.633 3.185 -8.202 1.00 0.00 C ATOM 1481 C LYS A 97 10.454 4.471 -8.219 1.00 0.00 C ATOM 1482 O LYS A 97 10.008 5.465 -7.608 1.00 0.00 O ATOM 1483 CB LYS A 97 8.472 3.291 -9.192 1.00 0.00 C ATOM 1484 CG LYS A 97 8.882 3.813 -10.559 1.00 0.00 C ATOM 1485 CD LYS A 97 8.044 3.199 -11.668 1.00 0.00 C ATOM 1486 CE LYS A 97 8.554 3.607 -13.040 1.00 0.00 C ATOM 1487 NZ LYS A 97 9.971 3.201 -13.250 1.00 0.00 N ATOM 1488 OXT LYS A 97 11.535 4.472 -8.843 1.00 0.00 O ATOM 0 H LYS A 97 8.582 3.664 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 97 10.278 2.359 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.016 2.308 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.709 3.949 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.777 4.898 -10.581 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.935 3.591 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.061 2.113 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.006 3.511 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.929 3.153 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.465 4.687 -13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.179 3.181 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.601 3.883 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.124 2.255 -12.846 1.00 0.00 H new