USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 794 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 18 GLN :FLIP amide:sc= -0.527 F(o=-2.1,f=-0.53) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.0204 USER MOD Set 2.2: A 13 THR OG1 : rot -46:sc= -0.478 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.647 F(o=-2.9!,f=-0.65) USER MOD Single : A 20 SER OG : rot -22:sc= 0.451! USER MOD Single : A 23 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.025) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.357 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -51:sc= 0.328 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -69:sc= -3.46! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 1:sc= -0.131 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 69 THR OG1 : rot -170:sc= -1.23 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.067) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.659 22.028 4.510 1.00 0.00 N ATOM 2 CA GLY A 1 -17.290 22.117 4.984 1.00 0.00 C ATOM 3 C GLY A 1 -16.450 23.065 4.151 1.00 0.00 C ATOM 4 O GLY A 1 -16.529 24.283 4.315 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.192 21.368 5.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.102 22.968 4.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.665 21.684 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.289 22.451 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.838 21.125 4.968 1.00 0.00 H new ATOM 8 N SER A 2 -15.640 22.507 3.256 1.00 0.00 N ATOM 9 CA SER A 2 -14.778 23.311 2.399 1.00 0.00 C ATOM 10 C SER A 2 -13.634 23.923 3.201 1.00 0.00 C ATOM 11 O SER A 2 -13.803 24.292 4.363 1.00 0.00 O ATOM 12 CB SER A 2 -15.587 24.416 1.718 1.00 0.00 C ATOM 13 OG SER A 2 -15.581 24.258 0.309 1.00 0.00 O ATOM 0 H SER A 2 -15.563 21.501 3.106 1.00 0.00 H new ATOM 0 HA SER A 2 -14.355 22.658 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.613 24.398 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.172 25.389 1.980 1.00 0.00 H new ATOM 0 HG SER A 2 -16.106 24.976 -0.103 1.00 0.00 H new ATOM 19 N SER A 3 -12.467 24.028 2.571 1.00 0.00 N ATOM 20 CA SER A 3 -11.292 24.592 3.226 1.00 0.00 C ATOM 21 C SER A 3 -10.795 23.672 4.336 1.00 0.00 C ATOM 22 O SER A 3 -11.491 23.440 5.324 1.00 0.00 O ATOM 23 CB SER A 3 -11.616 25.973 3.799 1.00 0.00 C ATOM 24 OG SER A 3 -10.882 26.986 3.135 1.00 0.00 O ATOM 0 H SER A 3 -12.311 23.730 1.608 1.00 0.00 H new ATOM 0 HA SER A 3 -10.503 24.692 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.684 26.170 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.385 25.991 4.864 1.00 0.00 H new ATOM 0 HG SER A 3 -11.108 27.859 3.519 1.00 0.00 H new ATOM 30 N GLY A 4 -9.585 23.149 4.165 1.00 0.00 N ATOM 31 CA GLY A 4 -9.014 22.259 5.160 1.00 0.00 C ATOM 32 C GLY A 4 -7.716 21.627 4.696 1.00 0.00 C ATOM 33 O GLY A 4 -7.491 20.434 4.897 1.00 0.00 O ATOM 0 H GLY A 4 -8.990 23.325 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.835 22.815 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.733 21.474 5.396 1.00 0.00 H new ATOM 37 N SER A 5 -6.860 22.430 4.071 1.00 0.00 N ATOM 38 CA SER A 5 -5.579 21.941 3.572 1.00 0.00 C ATOM 39 C SER A 5 -4.456 22.915 3.911 1.00 0.00 C ATOM 40 O SER A 5 -4.662 24.128 3.948 1.00 0.00 O ATOM 41 CB SER A 5 -5.646 21.729 2.058 1.00 0.00 C ATOM 42 OG SER A 5 -5.479 20.361 1.726 1.00 0.00 O ATOM 0 H SER A 5 -7.030 23.421 3.898 1.00 0.00 H new ATOM 0 HA SER A 5 -5.368 20.988 4.057 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.605 22.084 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.872 22.322 1.570 1.00 0.00 H new ATOM 0 HG SER A 5 -5.528 20.252 0.753 1.00 0.00 H new ATOM 48 N SER A 6 -3.267 22.375 4.159 1.00 0.00 N ATOM 49 CA SER A 6 -2.111 23.195 4.499 1.00 0.00 C ATOM 50 C SER A 6 -0.837 22.355 4.521 1.00 0.00 C ATOM 51 O SER A 6 -0.889 21.131 4.613 1.00 0.00 O ATOM 52 CB SER A 6 -2.316 23.864 5.859 1.00 0.00 C ATOM 53 OG SER A 6 -2.461 22.899 6.887 1.00 0.00 O ATOM 0 H SER A 6 -3.079 21.373 4.131 1.00 0.00 H new ATOM 0 HA SER A 6 -2.006 23.965 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.467 24.511 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.201 24.499 5.825 1.00 0.00 H new ATOM 0 HG SER A 6 -2.589 23.353 7.746 1.00 0.00 H new ATOM 59 N GLY A 7 0.308 23.027 4.434 1.00 0.00 N ATOM 60 CA GLY A 7 1.580 22.328 4.444 1.00 0.00 C ATOM 61 C GLY A 7 2.623 23.035 5.287 1.00 0.00 C ATOM 62 O GLY A 7 2.800 24.249 5.176 1.00 0.00 O ATOM 0 H GLY A 7 0.377 24.042 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.433 21.318 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.947 22.233 3.422 1.00 0.00 H new ATOM 66 N ILE A 8 3.313 22.276 6.131 1.00 0.00 N ATOM 67 CA ILE A 8 4.344 22.839 6.995 1.00 0.00 C ATOM 68 C ILE A 8 5.706 22.219 6.701 1.00 0.00 C ATOM 69 O ILE A 8 6.025 21.133 7.187 1.00 0.00 O ATOM 70 CB ILE A 8 4.007 22.627 8.484 1.00 0.00 C ATOM 71 CG1 ILE A 8 2.885 21.597 8.634 1.00 0.00 C ATOM 72 CG2 ILE A 8 3.612 23.947 9.129 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.670 21.143 10.061 1.00 0.00 C ATOM 0 H ILE A 8 3.177 21.270 6.235 1.00 0.00 H new ATOM 0 HA ILE A 8 4.381 23.908 6.787 1.00 0.00 H new ATOM 0 HB ILE A 8 4.893 22.247 8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.957 22.024 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.114 20.729 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.377 23.782 10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.439 24.653 9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.737 24.353 8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.860 20.414 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.585 20.686 10.439 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.410 22.001 10.681 1.00 0.00 H new ATOM 85 N LEU A 9 6.507 22.919 5.904 1.00 0.00 N ATOM 86 CA LEU A 9 7.837 22.439 5.546 1.00 0.00 C ATOM 87 C LEU A 9 8.736 23.595 5.119 1.00 0.00 C ATOM 88 O LEU A 9 8.299 24.744 5.053 1.00 0.00 O ATOM 89 CB LEU A 9 7.743 21.409 4.419 1.00 0.00 C ATOM 90 CG LEU A 9 6.924 20.154 4.724 1.00 0.00 C ATOM 91 CD1 LEU A 9 5.435 20.452 4.624 1.00 0.00 C ATOM 92 CD2 LEU A 9 7.308 19.024 3.781 1.00 0.00 C ATOM 0 H LEU A 9 6.259 23.819 5.494 1.00 0.00 H new ATOM 0 HA LEU A 9 8.275 21.967 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.313 21.896 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.753 21.102 4.149 1.00 0.00 H new ATOM 0 HG LEU A 9 7.143 19.839 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.867 19.548 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.171 21.230 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.199 20.792 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.715 18.139 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.118 19.329 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.366 18.793 3.902 1.00 0.00 H new ATOM 104 N THR A 10 9.995 23.283 4.829 1.00 0.00 N ATOM 105 CA THR A 10 10.956 24.295 4.407 1.00 0.00 C ATOM 106 C THR A 10 11.189 24.239 2.901 1.00 0.00 C ATOM 107 O THR A 10 11.459 25.258 2.268 1.00 0.00 O ATOM 108 CB THR A 10 12.305 24.126 5.131 1.00 0.00 C ATOM 109 OG1 THR A 10 12.549 22.740 5.394 1.00 0.00 O ATOM 110 CG2 THR A 10 12.319 24.905 6.438 1.00 0.00 C ATOM 0 H THR A 10 10.373 22.337 4.879 1.00 0.00 H new ATOM 0 HA THR A 10 10.530 25.263 4.670 1.00 0.00 H new ATOM 0 HB THR A 10 13.091 24.517 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.409 22.641 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.282 24.770 6.931 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.162 25.964 6.232 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.524 24.540 7.088 1.00 0.00 H new ATOM 118 N GLU A 11 11.083 23.040 2.336 1.00 0.00 N ATOM 119 CA GLU A 11 11.283 22.852 0.904 1.00 0.00 C ATOM 120 C GLU A 11 11.065 21.394 0.511 1.00 0.00 C ATOM 121 O GLU A 11 10.640 21.097 -0.605 1.00 0.00 O ATOM 122 CB GLU A 11 12.691 23.296 0.501 1.00 0.00 C ATOM 123 CG GLU A 11 13.756 22.240 0.748 1.00 0.00 C ATOM 124 CD GLU A 11 15.080 22.583 0.095 1.00 0.00 C ATOM 125 OE1 GLU A 11 15.115 22.709 -1.147 1.00 0.00 O ATOM 126 OE2 GLU A 11 16.082 22.726 0.826 1.00 0.00 O ATOM 0 H GLU A 11 10.860 22.186 2.847 1.00 0.00 H new ATOM 0 HA GLU A 11 10.552 23.465 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.691 23.560 -0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.951 24.198 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.904 22.123 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.406 21.280 0.368 1.00 0.00 H new ATOM 133 N ASN A 12 11.361 20.487 1.436 1.00 0.00 N ATOM 134 CA ASN A 12 11.198 19.060 1.188 1.00 0.00 C ATOM 135 C ASN A 12 11.252 18.270 2.493 1.00 0.00 C ATOM 136 O ASN A 12 11.555 17.076 2.497 1.00 0.00 O ATOM 137 CB ASN A 12 12.283 18.561 0.232 1.00 0.00 C ATOM 138 CG ASN A 12 13.593 18.277 0.941 1.00 0.00 C ATOM 139 OD1 ASN A 12 13.870 19.033 1.997 1.00 0.00 O flip ATOM 140 ND2 ASN A 12 14.346 17.388 0.544 1.00 0.00 N flip ATOM 0 H ASN A 12 11.715 20.716 2.365 1.00 0.00 H new ATOM 0 HA ASN A 12 10.220 18.906 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.937 17.654 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.448 19.306 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.092 16.832 -0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.224 17.208 1.031 1.00 0.00 H new ATOM 147 N THR A 13 10.956 18.945 3.599 1.00 0.00 N ATOM 148 CA THR A 13 10.972 18.308 4.910 1.00 0.00 C ATOM 149 C THR A 13 10.512 16.857 4.821 1.00 0.00 C ATOM 150 O THR A 13 9.379 16.561 4.441 1.00 0.00 O ATOM 151 CB THR A 13 10.072 19.058 5.910 1.00 0.00 C ATOM 152 OG1 THR A 13 10.233 20.472 5.748 1.00 0.00 O ATOM 153 CG2 THR A 13 10.408 18.666 7.341 1.00 0.00 C ATOM 0 H THR A 13 10.702 19.933 3.613 1.00 0.00 H new ATOM 0 HA THR A 13 12.002 18.340 5.264 1.00 0.00 H new ATOM 0 HB THR A 13 9.036 18.784 5.709 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.187 20.687 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.759 19.209 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.257 17.594 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.448 18.914 7.551 1.00 0.00 H new ATOM 161 N PRO A 14 11.411 15.928 5.180 1.00 0.00 N ATOM 162 CA PRO A 14 11.119 14.492 5.151 1.00 0.00 C ATOM 163 C PRO A 14 10.120 14.081 6.226 1.00 0.00 C ATOM 164 O PRO A 14 9.902 14.807 7.196 1.00 0.00 O ATOM 165 CB PRO A 14 12.483 13.848 5.415 1.00 0.00 C ATOM 166 CG PRO A 14 13.250 14.879 6.167 1.00 0.00 C ATOM 167 CD PRO A 14 12.780 16.209 5.643 1.00 0.00 C ATOM 0 HA PRO A 14 10.663 14.188 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.382 12.930 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.983 13.584 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.069 14.796 7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.322 14.756 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.793 16.974 6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.413 16.568 4.831 1.00 0.00 H new ATOM 175 N VAL A 15 9.512 12.911 6.048 1.00 0.00 N ATOM 176 CA VAL A 15 8.537 12.404 7.005 1.00 0.00 C ATOM 177 C VAL A 15 8.594 10.883 7.093 1.00 0.00 C ATOM 178 O VAL A 15 9.103 10.217 6.192 1.00 0.00 O ATOM 179 CB VAL A 15 7.106 12.832 6.627 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.207 12.831 7.855 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.117 14.200 5.964 1.00 0.00 C ATOM 0 H VAL A 15 9.678 12.298 5.250 1.00 0.00 H new ATOM 0 HA VAL A 15 8.792 12.831 7.975 1.00 0.00 H new ATOM 0 HB VAL A 15 6.706 12.112 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.200 13.136 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.175 11.829 8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.601 13.528 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.098 14.486 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.536 14.934 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.725 14.161 5.060 1.00 0.00 H new ATOM 191 N PHE A 16 8.068 10.338 8.186 1.00 0.00 N ATOM 192 CA PHE A 16 8.059 8.895 8.392 1.00 0.00 C ATOM 193 C PHE A 16 6.711 8.432 8.939 1.00 0.00 C ATOM 194 O PHE A 16 6.226 8.953 9.943 1.00 0.00 O ATOM 195 CB PHE A 16 9.179 8.489 9.353 1.00 0.00 C ATOM 196 CG PHE A 16 9.755 7.133 9.063 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.662 6.957 8.031 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.389 6.033 9.823 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.195 5.711 7.761 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.919 4.785 9.559 1.00 0.00 C ATOM 201 CZ PHE A 16 10.822 4.622 8.526 1.00 0.00 C ATOM 0 H PHE A 16 7.643 10.875 8.942 1.00 0.00 H new ATOM 0 HA PHE A 16 8.225 8.414 7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.976 9.231 9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.794 8.501 10.373 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.956 7.804 7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.682 6.153 10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.902 5.588 6.954 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.627 3.936 10.160 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.235 3.646 8.317 1.00 0.00 H new ATOM 211 N GLU A 17 6.114 7.450 8.272 1.00 0.00 N ATOM 212 CA GLU A 17 4.823 6.917 8.690 1.00 0.00 C ATOM 213 C GLU A 17 4.793 5.397 8.561 1.00 0.00 C ATOM 214 O GLU A 17 5.469 4.825 7.707 1.00 0.00 O ATOM 215 CB GLU A 17 3.698 7.534 7.857 1.00 0.00 C ATOM 216 CG GLU A 17 2.460 7.880 8.667 1.00 0.00 C ATOM 217 CD GLU A 17 2.615 9.172 9.448 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.736 10.239 8.812 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.617 9.113 10.695 1.00 0.00 O ATOM 0 H GLU A 17 6.504 7.007 7.440 1.00 0.00 H new ATOM 0 HA GLU A 17 4.674 7.177 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.069 8.437 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.421 6.839 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.604 7.965 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.244 7.066 9.358 1.00 0.00 H new ATOM 226 N GLN A 18 4.004 4.752 9.414 1.00 0.00 N ATOM 227 CA GLN A 18 3.887 3.298 9.395 1.00 0.00 C ATOM 228 C GLN A 18 2.453 2.872 9.102 1.00 0.00 C ATOM 229 O GLN A 18 1.502 3.438 9.645 1.00 0.00 O ATOM 230 CB GLN A 18 4.344 2.712 10.732 1.00 0.00 C ATOM 231 CG GLN A 18 5.773 2.198 10.714 1.00 0.00 C ATOM 232 CD GLN A 18 6.000 1.069 11.701 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.435 -0.080 11.196 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 5.788 1.228 12.903 1.00 0.00 N flip ATOM 0 H GLN A 18 3.437 5.212 10.126 1.00 0.00 H new ATOM 0 HA GLN A 18 4.529 2.916 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.251 3.475 11.504 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.677 1.896 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.018 1.852 9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.453 3.018 10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.454 2.128 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.946 0.460 13.555 1.00 0.00 H new ATOM 243 N LEU A 19 2.302 1.872 8.241 1.00 0.00 N ATOM 244 CA LEU A 19 0.983 1.369 7.875 1.00 0.00 C ATOM 245 C LEU A 19 0.938 -0.153 7.957 1.00 0.00 C ATOM 246 O LEU A 19 1.679 -0.845 7.257 1.00 0.00 O ATOM 247 CB LEU A 19 0.615 1.826 6.462 1.00 0.00 C ATOM 248 CG LEU A 19 -0.507 2.861 6.363 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.125 4.135 7.101 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.827 3.163 4.906 1.00 0.00 C ATOM 0 H LEU A 19 3.077 1.393 7.783 1.00 0.00 H new ATOM 0 HA LEU A 19 0.259 1.774 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.507 2.240 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.326 0.950 5.882 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.399 2.447 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.935 4.860 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.054 3.907 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.781 4.553 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.627 3.901 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.062 3.556 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.145 2.248 4.406 1.00 0.00 H new ATOM 262 N SER A 20 0.063 -0.670 8.813 1.00 0.00 N ATOM 263 CA SER A 20 -0.077 -2.111 8.988 1.00 0.00 C ATOM 264 C SER A 20 -1.057 -2.688 7.971 1.00 0.00 C ATOM 265 O SER A 20 -2.206 -2.251 7.881 1.00 0.00 O ATOM 266 CB SER A 20 -0.549 -2.431 10.407 1.00 0.00 C ATOM 267 OG SER A 20 -1.945 -2.667 10.439 1.00 0.00 O ATOM 0 H SER A 20 -0.560 -0.112 9.397 1.00 0.00 H new ATOM 0 HA SER A 20 0.899 -2.568 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.020 -3.308 10.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.302 -1.603 11.071 1.00 0.00 H new ATOM 0 HG SER A 20 -2.367 -2.240 9.664 1.00 0.00 H new ATOM 273 N VAL A 21 -0.597 -3.673 7.207 1.00 0.00 N ATOM 274 CA VAL A 21 -1.432 -4.313 6.197 1.00 0.00 C ATOM 275 C VAL A 21 -1.490 -5.822 6.407 1.00 0.00 C ATOM 276 O VAL A 21 -0.564 -6.436 6.936 1.00 0.00 O ATOM 277 CB VAL A 21 -0.915 -4.023 4.775 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.558 -2.552 4.627 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.281 -4.905 4.453 1.00 0.00 C ATOM 0 H VAL A 21 0.350 -4.046 7.268 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.433 -3.896 6.304 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.709 -4.253 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.195 -2.366 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.442 -1.942 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.219 -2.292 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.633 -4.687 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.081 -4.709 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.012 -5.953 4.516 1.00 0.00 H new ATOM 289 N PRO A 22 -2.605 -6.436 5.982 1.00 0.00 N ATOM 290 CA PRO A 22 -2.811 -7.881 6.112 1.00 0.00 C ATOM 291 C PRO A 22 -1.901 -8.681 5.188 1.00 0.00 C ATOM 292 O PRO A 22 -1.535 -8.217 4.108 1.00 0.00 O ATOM 293 CB PRO A 22 -4.277 -8.067 5.712 1.00 0.00 C ATOM 294 CG PRO A 22 -4.578 -6.908 4.825 1.00 0.00 C ATOM 295 CD PRO A 22 -3.750 -5.765 5.343 1.00 0.00 C ATOM 0 HA PRO A 22 -2.580 -8.237 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.429 -9.013 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.928 -8.076 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.327 -7.134 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.640 -6.663 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.430 -5.103 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.307 -5.155 6.055 1.00 0.00 H new ATOM 303 N GLN A 23 -1.540 -9.886 5.617 1.00 0.00 N ATOM 304 CA GLN A 23 -0.671 -10.750 4.826 1.00 0.00 C ATOM 305 C GLN A 23 -1.437 -11.374 3.664 1.00 0.00 C ATOM 306 O GLN A 23 -0.845 -11.997 2.783 1.00 0.00 O ATOM 307 CB GLN A 23 -0.072 -11.849 5.707 1.00 0.00 C ATOM 308 CG GLN A 23 -1.012 -13.018 5.944 1.00 0.00 C ATOM 309 CD GLN A 23 -0.435 -14.337 5.467 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.096 -15.098 4.761 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.805 -14.615 5.853 1.00 0.00 N ATOM 0 H GLN A 23 -1.836 -10.286 6.507 1.00 0.00 H new ATOM 0 HA GLN A 23 0.136 -10.140 4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.843 -12.217 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.210 -11.419 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.237 -13.088 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.955 -12.831 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.317 -13.955 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.245 -15.488 5.564 1.00 0.00 H new ATOM 320 N ARG A 24 -2.754 -11.202 3.669 1.00 0.00 N ATOM 321 CA ARG A 24 -3.601 -11.749 2.616 1.00 0.00 C ATOM 322 C ARG A 24 -3.629 -10.821 1.404 1.00 0.00 C ATOM 323 O ARG A 24 -3.849 -11.264 0.277 1.00 0.00 O ATOM 324 CB ARG A 24 -5.022 -11.968 3.137 1.00 0.00 C ATOM 325 CG ARG A 24 -5.883 -10.716 3.104 1.00 0.00 C ATOM 326 CD ARG A 24 -6.830 -10.659 4.291 1.00 0.00 C ATOM 327 NE ARG A 24 -8.224 -10.836 3.890 1.00 0.00 N ATOM 328 CZ ARG A 24 -9.252 -10.670 4.713 1.00 0.00 C ATOM 329 NH1 ARG A 24 -9.045 -10.322 5.976 1.00 0.00 N ATOM 330 NH2 ARG A 24 -10.491 -10.849 4.273 1.00 0.00 N ATOM 0 H ARG A 24 -3.258 -10.688 4.391 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.183 -12.708 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.502 -12.745 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.971 -12.337 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.243 -9.833 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.457 -10.693 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.558 -11.433 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.718 -9.701 4.798 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.418 -11.102 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.094 -10.181 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.837 -10.195 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.654 -11.114 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.280 -10.721 4.906 1.00 0.00 H new ATOM 344 N SER A 25 -3.404 -9.534 1.646 1.00 0.00 N ATOM 345 CA SER A 25 -3.409 -8.544 0.575 1.00 0.00 C ATOM 346 C SER A 25 -1.996 -8.035 0.300 1.00 0.00 C ATOM 347 O SER A 25 -1.760 -7.323 -0.676 1.00 0.00 O ATOM 348 CB SER A 25 -4.323 -7.372 0.939 1.00 0.00 C ATOM 349 OG SER A 25 -5.539 -7.830 1.503 1.00 0.00 O ATOM 0 H SER A 25 -3.216 -9.152 2.573 1.00 0.00 H new ATOM 0 HA SER A 25 -3.787 -9.023 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.815 -6.716 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.532 -6.779 0.048 1.00 0.00 H new ATOM 0 HG SER A 25 -6.105 -7.062 1.729 1.00 0.00 H new ATOM 355 N VAL A 26 -1.061 -8.406 1.168 1.00 0.00 N ATOM 356 CA VAL A 26 0.328 -7.989 1.019 1.00 0.00 C ATOM 357 C VAL A 26 0.890 -8.419 -0.330 1.00 0.00 C ATOM 358 O VAL A 26 1.880 -7.867 -0.807 1.00 0.00 O ATOM 359 CB VAL A 26 1.211 -8.572 2.139 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.490 -10.046 1.887 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.510 -7.788 2.256 1.00 0.00 C ATOM 0 H VAL A 26 -1.240 -8.994 1.982 1.00 0.00 H new ATOM 0 HA VAL A 26 0.340 -6.901 1.084 1.00 0.00 H new ATOM 0 HB VAL A 26 0.674 -8.485 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.115 -10.440 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.549 -10.595 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.007 -10.161 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.121 -8.213 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.054 -7.842 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.287 -6.746 2.487 1.00 0.00 H new ATOM 371 N GLY A 27 0.248 -9.409 -0.944 1.00 0.00 N ATOM 372 CA GLY A 27 0.697 -9.897 -2.235 1.00 0.00 C ATOM 373 C GLY A 27 0.296 -8.979 -3.373 1.00 0.00 C ATOM 374 O GLY A 27 0.868 -9.041 -4.461 1.00 0.00 O ATOM 0 H GLY A 27 -0.575 -9.882 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.782 -10.003 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.282 -10.890 -2.409 1.00 0.00 H new ATOM 378 N ARG A 28 -0.694 -8.127 -3.123 1.00 0.00 N ATOM 379 CA ARG A 28 -1.173 -7.196 -4.136 1.00 0.00 C ATOM 380 C ARG A 28 -0.527 -5.824 -3.964 1.00 0.00 C ATOM 381 O ARG A 28 -0.366 -5.077 -4.929 1.00 0.00 O ATOM 382 CB ARG A 28 -2.696 -7.067 -4.062 1.00 0.00 C ATOM 383 CG ARG A 28 -3.311 -6.389 -5.276 1.00 0.00 C ATOM 384 CD ARG A 28 -3.964 -7.399 -6.206 1.00 0.00 C ATOM 385 NE ARG A 28 -3.141 -7.674 -7.381 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.163 -8.573 -7.398 1.00 0.00 C ATOM 387 NH1 ARG A 28 -1.887 -9.280 -6.311 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.458 -8.766 -8.505 1.00 0.00 N ATOM 0 H ARG A 28 -1.179 -8.063 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.895 -7.589 -5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.131 -8.060 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.961 -6.502 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.053 -5.660 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.540 -5.840 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.144 -8.327 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.936 -7.023 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.327 -7.147 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.426 -9.135 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.135 -9.969 -6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.667 -8.224 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.707 -9.456 -8.518 1.00 0.00 H new ATOM 402 N ILE A 29 -0.161 -5.499 -2.728 1.00 0.00 N ATOM 403 CA ILE A 29 0.468 -4.219 -2.429 1.00 0.00 C ATOM 404 C ILE A 29 1.944 -4.230 -2.809 1.00 0.00 C ATOM 405 O ILE A 29 2.457 -3.262 -3.371 1.00 0.00 O ATOM 406 CB ILE A 29 0.336 -3.862 -0.937 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.131 -3.918 -0.505 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.921 -2.483 -0.669 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.320 -4.336 0.937 1.00 0.00 C ATOM 0 H ILE A 29 -0.290 -6.105 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.052 -3.466 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 29 0.895 -4.592 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.583 -2.937 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.665 -4.615 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.820 -2.245 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.976 -2.475 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.386 -1.740 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.384 -4.354 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.898 -5.330 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.814 -3.626 1.591 1.00 0.00 H new ATOM 421 N ILE A 30 2.621 -5.330 -2.500 1.00 0.00 N ATOM 422 CA ILE A 30 4.039 -5.468 -2.812 1.00 0.00 C ATOM 423 C ILE A 30 4.241 -6.156 -4.158 1.00 0.00 C ATOM 424 O ILE A 30 5.283 -6.004 -4.794 1.00 0.00 O ATOM 425 CB ILE A 30 4.780 -6.266 -1.723 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.864 -5.451 -0.432 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.170 -6.653 -2.204 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.104 -4.590 -0.341 1.00 0.00 C ATOM 0 H ILE A 30 2.211 -6.139 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 30 4.452 -4.460 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 30 4.221 -7.179 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.983 -4.814 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.840 -6.131 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.681 -7.216 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.087 -7.268 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.739 -5.752 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.097 -4.040 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.990 -5.223 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.120 -3.885 -1.173 1.00 0.00 H new ATOM 440 N GLY A 31 3.235 -6.912 -4.588 1.00 0.00 N ATOM 441 CA GLY A 31 3.322 -7.610 -5.856 1.00 0.00 C ATOM 442 C GLY A 31 3.820 -9.034 -5.702 1.00 0.00 C ATOM 443 O GLY A 31 3.454 -9.727 -4.753 1.00 0.00 O ATOM 0 H GLY A 31 2.362 -7.053 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.340 -7.621 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.991 -7.065 -6.522 1.00 0.00 H new ATOM 447 N ARG A 32 4.657 -9.471 -6.638 1.00 0.00 N ATOM 448 CA ARG A 32 5.203 -10.822 -6.602 1.00 0.00 C ATOM 449 C ARG A 32 6.604 -10.826 -5.996 1.00 0.00 C ATOM 450 O ARG A 32 7.349 -11.796 -6.134 1.00 0.00 O ATOM 451 CB ARG A 32 5.245 -11.415 -8.012 1.00 0.00 C ATOM 452 CG ARG A 32 6.391 -10.888 -8.861 1.00 0.00 C ATOM 453 CD ARG A 32 6.228 -11.280 -10.321 1.00 0.00 C ATOM 454 NE ARG A 32 7.474 -11.778 -10.896 1.00 0.00 N ATOM 455 CZ ARG A 32 7.563 -12.307 -12.111 1.00 0.00 C ATOM 456 NH1 ARG A 32 6.484 -12.405 -12.876 1.00 0.00 N ATOM 457 NH2 ARG A 32 8.733 -12.738 -12.565 1.00 0.00 N ATOM 0 H ARG A 32 4.971 -8.909 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 32 4.553 -11.433 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.327 -12.499 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.302 -11.200 -8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.438 -9.802 -8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.336 -11.278 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.457 -12.046 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.885 -10.417 -10.892 1.00 0.00 H new ATOM 0 HE ARG A 32 8.323 -11.716 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.583 -12.074 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.555 -12.812 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.566 -12.663 -11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.800 -13.144 -13.498 1.00 0.00 H new ATOM 471 N GLY A 33 6.955 -9.735 -5.323 1.00 0.00 N ATOM 472 CA GLY A 33 8.265 -9.633 -4.706 1.00 0.00 C ATOM 473 C GLY A 33 8.742 -8.199 -4.592 1.00 0.00 C ATOM 474 O GLY A 33 9.690 -7.908 -3.863 1.00 0.00 O ATOM 0 H GLY A 33 6.356 -8.920 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.231 -10.081 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.984 -10.207 -5.291 1.00 0.00 H new ATOM 478 N GLY A 34 8.086 -7.298 -5.318 1.00 0.00 N ATOM 479 CA GLY A 34 8.464 -5.898 -5.282 1.00 0.00 C ATOM 480 C GLY A 34 8.085 -5.163 -6.552 1.00 0.00 C ATOM 481 O GLY A 34 7.837 -3.957 -6.529 1.00 0.00 O ATOM 0 H GLY A 34 7.299 -7.514 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.984 -5.417 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.540 -5.819 -5.127 1.00 0.00 H new ATOM 485 N GLU A 35 8.040 -5.889 -7.665 1.00 0.00 N ATOM 486 CA GLU A 35 7.691 -5.297 -8.950 1.00 0.00 C ATOM 487 C GLU A 35 6.527 -4.321 -8.801 1.00 0.00 C ATOM 488 O GLU A 35 6.382 -3.383 -9.586 1.00 0.00 O ATOM 489 CB GLU A 35 7.328 -6.388 -9.959 1.00 0.00 C ATOM 490 CG GLU A 35 5.899 -6.886 -9.830 1.00 0.00 C ATOM 491 CD GLU A 35 4.955 -6.209 -10.806 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.266 -5.085 -11.250 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.905 -6.805 -11.125 1.00 0.00 O ATOM 0 H GLU A 35 8.241 -6.888 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 35 8.559 -4.749 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.480 -6.003 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.010 -7.229 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.877 -7.963 -9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.549 -6.714 -8.812 1.00 0.00 H new ATOM 500 N THR A 36 5.698 -4.547 -7.786 1.00 0.00 N ATOM 501 CA THR A 36 4.546 -3.692 -7.534 1.00 0.00 C ATOM 502 C THR A 36 4.882 -2.604 -6.519 1.00 0.00 C ATOM 503 O THR A 36 4.485 -1.449 -6.680 1.00 0.00 O ATOM 504 CB THR A 36 3.344 -4.504 -7.019 1.00 0.00 C ATOM 505 OG1 THR A 36 2.971 -5.493 -7.986 1.00 0.00 O ATOM 506 CG2 THR A 36 2.159 -3.595 -6.733 1.00 0.00 C ATOM 0 H THR A 36 5.804 -5.316 -7.125 1.00 0.00 H new ATOM 0 HA THR A 36 4.281 -3.230 -8.485 1.00 0.00 H new ATOM 0 HB THR A 36 3.636 -4.995 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.117 -5.898 -7.727 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.322 -4.192 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.437 -2.862 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.867 -3.079 -7.648 1.00 0.00 H new ATOM 514 N ILE A 37 5.614 -2.980 -5.477 1.00 0.00 N ATOM 515 CA ILE A 37 6.004 -2.035 -4.437 1.00 0.00 C ATOM 516 C ILE A 37 6.934 -0.961 -4.992 1.00 0.00 C ATOM 517 O ILE A 37 7.050 0.126 -4.426 1.00 0.00 O ATOM 518 CB ILE A 37 6.701 -2.747 -3.263 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.468 -1.976 -1.961 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.190 -2.891 -3.540 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.006 -1.805 -1.613 1.00 0.00 C ATOM 0 H ILE A 37 5.949 -3.932 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 37 5.089 -1.567 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 37 6.273 -3.744 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.969 -2.497 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.931 -0.993 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.669 -3.396 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.336 -3.477 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.633 -1.904 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.917 -1.250 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.504 -1.257 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.542 -2.785 -1.499 1.00 0.00 H new ATOM 533 N ARG A 38 7.594 -1.274 -6.102 1.00 0.00 N ATOM 534 CA ARG A 38 8.514 -0.335 -6.734 1.00 0.00 C ATOM 535 C ARG A 38 7.756 0.676 -7.591 1.00 0.00 C ATOM 536 O ARG A 38 8.010 1.878 -7.519 1.00 0.00 O ATOM 537 CB ARG A 38 9.532 -1.086 -7.593 1.00 0.00 C ATOM 538 CG ARG A 38 10.427 -2.023 -6.797 1.00 0.00 C ATOM 539 CD ARG A 38 11.803 -2.151 -7.431 1.00 0.00 C ATOM 540 NE ARG A 38 12.847 -2.369 -6.433 1.00 0.00 N ATOM 541 CZ ARG A 38 13.445 -1.386 -5.769 1.00 0.00 C ATOM 542 NH1 ARG A 38 13.103 -0.125 -5.995 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.387 -1.664 -4.877 1.00 0.00 N ATOM 0 H ARG A 38 7.509 -2.170 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 38 9.041 0.205 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.001 -1.661 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.154 -0.363 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.528 -1.652 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.961 -3.006 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.800 -2.979 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.026 -1.247 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 38 13.132 -3.328 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.379 0.092 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.564 0.628 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.652 -2.633 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.846 -0.909 -4.368 1.00 0.00 H new ATOM 557 N SER A 39 6.827 0.179 -8.400 1.00 0.00 N ATOM 558 CA SER A 39 6.037 1.037 -9.274 1.00 0.00 C ATOM 559 C SER A 39 5.292 2.096 -8.467 1.00 0.00 C ATOM 560 O SER A 39 4.890 3.130 -9.001 1.00 0.00 O ATOM 561 CB SER A 39 5.041 0.201 -10.080 1.00 0.00 C ATOM 562 OG SER A 39 4.710 0.838 -11.302 1.00 0.00 O ATOM 0 H SER A 39 6.603 -0.814 -8.468 1.00 0.00 H new ATOM 0 HA SER A 39 6.718 1.540 -9.960 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.467 -0.782 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.137 0.042 -9.493 1.00 0.00 H new ATOM 0 HG SER A 39 4.073 0.282 -11.799 1.00 0.00 H new ATOM 568 N ILE A 40 5.112 1.829 -7.177 1.00 0.00 N ATOM 569 CA ILE A 40 4.418 2.760 -6.296 1.00 0.00 C ATOM 570 C ILE A 40 5.375 3.804 -5.733 1.00 0.00 C ATOM 571 O ILE A 40 5.116 5.005 -5.813 1.00 0.00 O ATOM 572 CB ILE A 40 3.735 2.024 -5.128 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.827 0.911 -5.657 1.00 0.00 C ATOM 574 CG2 ILE A 40 2.940 3.003 -4.278 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.484 -0.134 -4.619 1.00 0.00 C ATOM 0 H ILE A 40 5.437 0.977 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 40 3.657 3.257 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 40 4.506 1.572 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.905 1.354 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.316 0.426 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.463 2.468 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.610 3.763 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.176 3.481 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.838 -0.891 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.399 -0.604 -4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.967 0.339 -3.784 1.00 0.00 H new ATOM 587 N CYS A 41 6.484 3.339 -5.168 1.00 0.00 N ATOM 588 CA CYS A 41 7.482 4.233 -4.592 1.00 0.00 C ATOM 589 C CYS A 41 7.960 5.249 -5.624 1.00 0.00 C ATOM 590 O CYS A 41 8.311 6.379 -5.283 1.00 0.00 O ATOM 591 CB CYS A 41 8.670 3.429 -4.062 1.00 0.00 C ATOM 592 SG CYS A 41 9.950 3.099 -5.296 1.00 0.00 S ATOM 0 H CYS A 41 6.715 2.348 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 41 7.019 4.772 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.116 3.969 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.306 2.480 -3.669 1.00 0.00 H new ATOM 0 HG CYS A 41 9.405 2.592 -6.362 1.00 0.00 H new ATOM 598 N LYS A 42 7.973 4.841 -6.889 1.00 0.00 N ATOM 599 CA LYS A 42 8.408 5.714 -7.972 1.00 0.00 C ATOM 600 C LYS A 42 7.298 6.683 -8.369 1.00 0.00 C ATOM 601 O LYS A 42 7.565 7.815 -8.770 1.00 0.00 O ATOM 602 CB LYS A 42 8.832 4.883 -9.185 1.00 0.00 C ATOM 603 CG LYS A 42 7.667 4.258 -9.933 1.00 0.00 C ATOM 604 CD LYS A 42 8.075 3.805 -11.324 1.00 0.00 C ATOM 605 CE LYS A 42 8.941 2.556 -11.271 1.00 0.00 C ATOM 606 NZ LYS A 42 10.191 2.714 -12.065 1.00 0.00 N ATOM 0 H LYS A 42 7.687 3.909 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 42 9.262 6.292 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.394 5.517 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.507 4.093 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.287 3.406 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.853 4.979 -10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.184 3.606 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.620 4.606 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.195 2.334 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.375 1.705 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.754 1.842 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.949 2.901 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.744 3.510 -11.687 1.00 0.00 H new ATOM 620 N ALA A 43 6.055 6.231 -8.251 1.00 0.00 N ATOM 621 CA ALA A 43 4.905 7.059 -8.595 1.00 0.00 C ATOM 622 C ALA A 43 4.679 8.144 -7.548 1.00 0.00 C ATOM 623 O ALA A 43 4.270 9.258 -7.873 1.00 0.00 O ATOM 624 CB ALA A 43 3.660 6.198 -8.743 1.00 0.00 C ATOM 0 H ALA A 43 5.818 5.296 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 43 5.111 7.547 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.809 6.829 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.818 5.463 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.459 5.684 -7.803 1.00 0.00 H new ATOM 630 N SER A 44 4.946 7.811 -6.289 1.00 0.00 N ATOM 631 CA SER A 44 4.767 8.756 -5.193 1.00 0.00 C ATOM 632 C SER A 44 6.100 9.379 -4.790 1.00 0.00 C ATOM 633 O SER A 44 6.163 10.549 -4.414 1.00 0.00 O ATOM 634 CB SER A 44 4.133 8.059 -3.988 1.00 0.00 C ATOM 635 OG SER A 44 4.953 7.001 -3.521 1.00 0.00 O ATOM 0 H SER A 44 5.287 6.893 -6.003 1.00 0.00 H new ATOM 0 HA SER A 44 4.103 9.549 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.975 8.782 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.153 7.669 -4.263 1.00 0.00 H new ATOM 0 HG SER A 44 4.951 6.272 -4.176 1.00 0.00 H new ATOM 641 N GLY A 45 7.166 8.589 -4.873 1.00 0.00 N ATOM 642 CA GLY A 45 8.484 9.079 -4.514 1.00 0.00 C ATOM 643 C GLY A 45 8.843 8.774 -3.074 1.00 0.00 C ATOM 644 O GLY A 45 9.954 9.062 -2.630 1.00 0.00 O ATOM 0 H GLY A 45 7.140 7.618 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.227 8.630 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.524 10.156 -4.675 1.00 0.00 H new ATOM 648 N ALA A 46 7.900 8.192 -2.341 1.00 0.00 N ATOM 649 CA ALA A 46 8.122 7.848 -0.941 1.00 0.00 C ATOM 650 C ALA A 46 8.611 6.410 -0.800 1.00 0.00 C ATOM 651 O ALA A 46 8.057 5.494 -1.407 1.00 0.00 O ATOM 652 CB ALA A 46 6.848 8.056 -0.137 1.00 0.00 C ATOM 0 H ALA A 46 6.974 7.948 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 46 8.896 8.508 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.029 7.795 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.543 9.100 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.057 7.422 -0.538 1.00 0.00 H new ATOM 658 N LYS A 47 9.651 6.219 0.003 1.00 0.00 N ATOM 659 CA LYS A 47 10.214 4.893 0.225 1.00 0.00 C ATOM 660 C LYS A 47 9.242 4.013 1.005 1.00 0.00 C ATOM 661 O LYS A 47 8.907 4.308 2.153 1.00 0.00 O ATOM 662 CB LYS A 47 11.541 5.000 0.982 1.00 0.00 C ATOM 663 CG LYS A 47 12.723 4.427 0.219 1.00 0.00 C ATOM 664 CD LYS A 47 12.630 2.914 0.102 1.00 0.00 C ATOM 665 CE LYS A 47 13.998 2.288 -0.123 1.00 0.00 C ATOM 666 NZ LYS A 47 14.106 1.660 -1.469 1.00 0.00 N ATOM 0 H LYS A 47 10.122 6.967 0.512 1.00 0.00 H new ATOM 0 HA LYS A 47 10.393 4.434 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.738 6.048 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.449 4.481 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.763 4.868 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.650 4.698 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.186 2.504 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.968 2.652 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.769 3.051 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.184 1.537 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.053 1.245 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.387 0.914 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.954 2.382 -2.202 1.00 0.00 H new ATOM 680 N ILE A 48 8.794 2.932 0.376 1.00 0.00 N ATOM 681 CA ILE A 48 7.864 2.009 1.011 1.00 0.00 C ATOM 682 C ILE A 48 8.511 0.648 1.244 1.00 0.00 C ATOM 683 O ILE A 48 8.931 -0.023 0.299 1.00 0.00 O ATOM 684 CB ILE A 48 6.590 1.821 0.165 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.013 3.180 -0.234 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.560 1.006 0.933 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.676 3.284 -1.706 1.00 0.00 C ATOM 0 H ILE A 48 9.061 2.674 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 48 7.592 2.448 1.971 1.00 0.00 H new ATOM 0 HB ILE A 48 6.850 1.277 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.113 3.370 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.730 3.960 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.666 0.882 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.975 0.027 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.300 1.525 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.272 4.274 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.578 3.126 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.936 2.527 -1.964 1.00 0.00 H new ATOM 699 N THR A 49 8.589 0.243 2.508 1.00 0.00 N ATOM 700 CA THR A 49 9.184 -1.038 2.865 1.00 0.00 C ATOM 701 C THR A 49 8.274 -1.827 3.800 1.00 0.00 C ATOM 702 O THR A 49 7.445 -1.251 4.506 1.00 0.00 O ATOM 703 CB THR A 49 10.556 -0.850 3.541 1.00 0.00 C ATOM 704 OG1 THR A 49 11.244 -2.104 3.610 1.00 0.00 O ATOM 705 CG2 THR A 49 10.396 -0.276 4.940 1.00 0.00 C ATOM 0 H THR A 49 8.247 0.785 3.302 1.00 0.00 H new ATOM 0 HA THR A 49 9.316 -1.594 1.937 1.00 0.00 H new ATOM 0 HB THR A 49 11.138 -0.149 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.116 -1.976 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.378 -0.152 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.898 0.692 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.797 -0.956 5.546 1.00 0.00 H new ATOM 713 N CYS A 50 8.434 -3.144 3.800 1.00 0.00 N ATOM 714 CA CYS A 50 7.625 -4.013 4.649 1.00 0.00 C ATOM 715 C CYS A 50 8.400 -4.431 5.894 1.00 0.00 C ATOM 716 O CYS A 50 9.594 -4.722 5.826 1.00 0.00 O ATOM 717 CB CYS A 50 7.180 -5.251 3.870 1.00 0.00 C ATOM 718 SG CYS A 50 8.370 -6.612 3.906 1.00 0.00 S ATOM 0 H CYS A 50 9.116 -3.635 3.222 1.00 0.00 H new ATOM 0 HA CYS A 50 6.743 -3.455 4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.231 -5.601 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.998 -4.969 2.833 1.00 0.00 H new ATOM 0 HG CYS A 50 9.396 -6.272 4.629 1.00 0.00 H new ATOM 724 N ASP A 51 7.713 -4.456 7.031 1.00 0.00 N ATOM 725 CA ASP A 51 8.337 -4.838 8.292 1.00 0.00 C ATOM 726 C ASP A 51 9.343 -5.965 8.082 1.00 0.00 C ATOM 727 O ASP A 51 9.260 -6.713 7.108 1.00 0.00 O ATOM 728 CB ASP A 51 7.272 -5.270 9.302 1.00 0.00 C ATOM 729 CG ASP A 51 7.464 -4.623 10.659 1.00 0.00 C ATOM 730 OD1 ASP A 51 8.195 -5.199 11.494 1.00 0.00 O ATOM 731 OD2 ASP A 51 6.886 -3.541 10.888 1.00 0.00 O ATOM 0 H ASP A 51 6.724 -4.216 7.105 1.00 0.00 H new ATOM 0 HA ASP A 51 8.868 -3.970 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.285 -5.013 8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.299 -6.354 9.413 1.00 0.00 H new ATOM 736 N LYS A 52 10.295 -6.080 9.002 1.00 0.00 N ATOM 737 CA LYS A 52 11.320 -7.115 8.918 1.00 0.00 C ATOM 738 C LYS A 52 11.539 -7.774 10.276 1.00 0.00 C ATOM 739 O LYS A 52 11.600 -9.000 10.378 1.00 0.00 O ATOM 740 CB LYS A 52 12.635 -6.521 8.410 1.00 0.00 C ATOM 741 CG LYS A 52 12.938 -5.143 8.974 1.00 0.00 C ATOM 742 CD LYS A 52 14.174 -5.161 9.857 1.00 0.00 C ATOM 743 CE LYS A 52 14.789 -3.777 9.984 1.00 0.00 C ATOM 744 NZ LYS A 52 15.289 -3.515 11.362 1.00 0.00 N ATOM 0 H LYS A 52 10.378 -5.469 9.815 1.00 0.00 H new ATOM 0 HA LYS A 52 10.977 -7.874 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.452 -7.196 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.600 -6.460 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.085 -4.438 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.083 -4.789 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.910 -5.535 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.909 -5.850 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.611 -3.679 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.047 -3.024 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.701 -2.561 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.500 -3.583 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.016 -4.217 11.607 1.00 0.00 H new ATOM 758 N GLU A 53 11.654 -6.954 11.316 1.00 0.00 N ATOM 759 CA GLU A 53 11.866 -7.459 12.667 1.00 0.00 C ATOM 760 C GLU A 53 11.058 -8.732 12.904 1.00 0.00 C ATOM 761 O GLU A 53 11.430 -9.573 13.722 1.00 0.00 O ATOM 762 CB GLU A 53 11.479 -6.398 13.699 1.00 0.00 C ATOM 763 CG GLU A 53 12.463 -5.242 13.781 1.00 0.00 C ATOM 764 CD GLU A 53 13.672 -5.566 14.635 1.00 0.00 C ATOM 765 OE1 GLU A 53 14.370 -6.554 14.325 1.00 0.00 O ATOM 766 OE2 GLU A 53 13.921 -4.832 15.614 1.00 0.00 O ATOM 0 H GLU A 53 11.604 -5.937 11.249 1.00 0.00 H new ATOM 0 HA GLU A 53 12.925 -7.694 12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.492 -6.007 13.453 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.401 -6.868 14.679 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.793 -4.978 12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.957 -4.367 14.190 1.00 0.00 H new ATOM 773 N SER A 54 9.949 -8.866 12.183 1.00 0.00 N ATOM 774 CA SER A 54 9.086 -10.034 12.317 1.00 0.00 C ATOM 775 C SER A 54 9.488 -11.123 11.328 1.00 0.00 C ATOM 776 O SER A 54 9.943 -10.834 10.222 1.00 0.00 O ATOM 777 CB SER A 54 7.624 -9.641 12.095 1.00 0.00 C ATOM 778 OG SER A 54 7.434 -9.088 10.804 1.00 0.00 O ATOM 0 H SER A 54 9.627 -8.180 11.500 1.00 0.00 H new ATOM 0 HA SER A 54 9.200 -10.426 13.328 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.987 -10.517 12.216 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.320 -8.918 12.852 1.00 0.00 H new ATOM 0 HG SER A 54 6.491 -8.847 10.687 1.00 0.00 H new ATOM 784 N GLU A 55 9.316 -12.376 11.735 1.00 0.00 N ATOM 785 CA GLU A 55 9.660 -13.509 10.885 1.00 0.00 C ATOM 786 C GLU A 55 9.231 -13.258 9.443 1.00 0.00 C ATOM 787 O GLU A 55 9.889 -13.698 8.501 1.00 0.00 O ATOM 788 CB GLU A 55 9.004 -14.788 11.410 1.00 0.00 C ATOM 789 CG GLU A 55 9.428 -15.155 12.822 1.00 0.00 C ATOM 790 CD GLU A 55 10.296 -16.397 12.866 1.00 0.00 C ATOM 791 OE1 GLU A 55 10.197 -17.225 11.936 1.00 0.00 O ATOM 792 OE2 GLU A 55 11.076 -16.541 13.831 1.00 0.00 O ATOM 0 H GLU A 55 8.940 -12.632 12.648 1.00 0.00 H new ATOM 0 HA GLU A 55 10.743 -13.630 10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.921 -14.667 11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.248 -15.613 10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.973 -14.320 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.540 -15.315 13.434 1.00 0.00 H new ATOM 799 N GLY A 56 8.119 -12.549 9.278 1.00 0.00 N ATOM 800 CA GLY A 56 7.618 -12.252 7.948 1.00 0.00 C ATOM 801 C GLY A 56 7.404 -13.501 7.117 1.00 0.00 C ATOM 802 O GLY A 56 7.576 -13.483 5.897 1.00 0.00 O ATOM 0 H GLY A 56 7.556 -12.175 10.041 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.677 -11.709 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.321 -11.595 7.436 1.00 0.00 H new ATOM 806 N THR A 57 7.029 -14.593 7.777 1.00 0.00 N ATOM 807 CA THR A 57 6.794 -15.857 7.091 1.00 0.00 C ATOM 808 C THR A 57 5.314 -16.046 6.778 1.00 0.00 C ATOM 809 O THR A 57 4.876 -15.827 5.648 1.00 0.00 O ATOM 810 CB THR A 57 7.285 -17.051 7.932 1.00 0.00 C ATOM 811 OG1 THR A 57 8.704 -16.976 8.107 1.00 0.00 O ATOM 812 CG2 THR A 57 6.921 -18.369 7.266 1.00 0.00 C ATOM 0 H THR A 57 6.882 -14.627 8.786 1.00 0.00 H new ATOM 0 HA THR A 57 7.358 -15.821 6.159 1.00 0.00 H new ATOM 0 HB THR A 57 6.796 -17.007 8.905 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.008 -17.737 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.278 -19.197 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.838 -18.436 7.160 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.385 -18.419 6.281 1.00 0.00 H new ATOM 820 N LEU A 58 4.549 -16.453 7.784 1.00 0.00 N ATOM 821 CA LEU A 58 3.116 -16.671 7.616 1.00 0.00 C ATOM 822 C LEU A 58 2.329 -16.017 8.746 1.00 0.00 C ATOM 823 O LEU A 58 1.237 -16.466 9.099 1.00 0.00 O ATOM 824 CB LEU A 58 2.810 -18.169 7.566 1.00 0.00 C ATOM 825 CG LEU A 58 1.888 -18.628 6.436 1.00 0.00 C ATOM 826 CD1 LEU A 58 2.665 -18.770 5.137 1.00 0.00 C ATOM 827 CD2 LEU A 58 1.210 -19.941 6.801 1.00 0.00 C ATOM 0 H LEU A 58 4.896 -16.639 8.725 1.00 0.00 H new ATOM 0 HA LEU A 58 2.812 -16.213 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.753 -18.709 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.360 -18.460 8.516 1.00 0.00 H new ATOM 0 HG LEU A 58 1.117 -17.871 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.992 -19.097 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.102 -17.809 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.459 -19.506 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.558 -20.253 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.967 -20.706 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.619 -19.806 7.707 1.00 0.00 H new ATOM 839 N LEU A 59 2.888 -14.952 9.312 1.00 0.00 N ATOM 840 CA LEU A 59 2.238 -14.235 10.402 1.00 0.00 C ATOM 841 C LEU A 59 0.805 -13.865 10.032 1.00 0.00 C ATOM 842 O LEU A 59 0.301 -14.262 8.981 1.00 0.00 O ATOM 843 CB LEU A 59 3.028 -12.972 10.751 1.00 0.00 C ATOM 844 CG LEU A 59 3.713 -12.265 9.582 1.00 0.00 C ATOM 845 CD1 LEU A 59 2.712 -11.973 8.474 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.380 -10.980 10.052 1.00 0.00 C ATOM 0 H LEU A 59 3.790 -14.567 9.033 1.00 0.00 H new ATOM 0 HA LEU A 59 2.212 -14.892 11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.351 -12.265 11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.788 -13.235 11.487 1.00 0.00 H new ATOM 0 HG LEU A 59 4.483 -12.926 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.218 -11.469 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.281 -12.908 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.919 -11.332 8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.863 -10.490 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.629 -10.314 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.127 -11.214 10.810 1.00 0.00 H new ATOM 858 N LEU A 60 0.153 -13.100 10.903 1.00 0.00 N ATOM 859 CA LEU A 60 -1.222 -12.674 10.667 1.00 0.00 C ATOM 860 C LEU A 60 -1.277 -11.567 9.619 1.00 0.00 C ATOM 861 O LEU A 60 -1.899 -11.722 8.568 1.00 0.00 O ATOM 862 CB LEU A 60 -1.857 -12.189 11.971 1.00 0.00 C ATOM 863 CG LEU A 60 -3.090 -12.960 12.444 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.695 -14.041 13.438 1.00 0.00 C ATOM 865 CD2 LEU A 60 -4.108 -12.011 13.061 1.00 0.00 C ATOM 0 H LEU A 60 0.555 -12.763 11.778 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.783 -13.531 10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.103 -12.232 12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.132 -11.141 11.850 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.548 -13.441 11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.585 -14.579 13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.004 -14.737 12.963 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.212 -13.583 14.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.979 -12.577 13.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.660 -11.502 13.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.415 -11.274 12.319 1.00 0.00 H new ATOM 877 N SER A 61 -0.619 -10.449 9.911 1.00 0.00 N ATOM 878 CA SER A 61 -0.595 -9.314 8.996 1.00 0.00 C ATOM 879 C SER A 61 0.806 -8.717 8.909 1.00 0.00 C ATOM 880 O SER A 61 1.617 -8.873 9.822 1.00 0.00 O ATOM 881 CB SER A 61 -1.591 -8.245 9.448 1.00 0.00 C ATOM 882 OG SER A 61 -1.400 -7.914 10.812 1.00 0.00 O ATOM 0 H SER A 61 -0.095 -10.305 10.774 1.00 0.00 H new ATOM 0 HA SER A 61 -0.882 -9.670 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.474 -7.352 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.609 -8.605 9.297 1.00 0.00 H new ATOM 0 HG SER A 61 -2.048 -7.228 11.076 1.00 0.00 H new ATOM 888 N ARG A 62 1.083 -8.032 7.804 1.00 0.00 N ATOM 889 CA ARG A 62 2.385 -7.411 7.596 1.00 0.00 C ATOM 890 C ARG A 62 2.324 -5.912 7.872 1.00 0.00 C ATOM 891 O ARG A 62 1.244 -5.347 8.051 1.00 0.00 O ATOM 892 CB ARG A 62 2.870 -7.658 6.166 1.00 0.00 C ATOM 893 CG ARG A 62 3.710 -8.915 6.015 1.00 0.00 C ATOM 894 CD ARG A 62 5.192 -8.587 5.923 1.00 0.00 C ATOM 895 NE ARG A 62 5.816 -9.196 4.751 1.00 0.00 N ATOM 896 CZ ARG A 62 5.819 -8.637 3.546 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.235 -7.462 3.356 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.407 -9.252 2.529 1.00 0.00 N ATOM 0 H ARG A 62 0.423 -7.893 7.039 1.00 0.00 H new ATOM 0 HA ARG A 62 3.090 -7.863 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.006 -7.728 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.455 -6.799 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.534 -9.575 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.400 -9.456 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.322 -7.506 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.697 -8.935 6.824 1.00 0.00 H new ATOM 0 HE ARG A 62 6.275 -10.100 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.782 -6.985 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.239 -7.035 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.858 -10.156 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.408 -8.821 1.604 1.00 0.00 H new ATOM 912 N LEU A 63 3.488 -5.274 7.906 1.00 0.00 N ATOM 913 CA LEU A 63 3.567 -3.839 8.160 1.00 0.00 C ATOM 914 C LEU A 63 4.301 -3.124 7.030 1.00 0.00 C ATOM 915 O LEU A 63 5.105 -3.730 6.320 1.00 0.00 O ATOM 916 CB LEU A 63 4.276 -3.576 9.491 1.00 0.00 C ATOM 917 CG LEU A 63 3.675 -2.474 10.364 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.279 -2.510 11.760 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.888 -1.109 9.724 1.00 0.00 C ATOM 0 H LEU A 63 4.390 -5.727 7.761 1.00 0.00 H new ATOM 0 HA LEU A 63 2.551 -3.448 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.284 -4.503 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.315 -3.321 9.282 1.00 0.00 H new ATOM 0 HG LEU A 63 2.603 -2.649 10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.839 -1.719 12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.074 -3.477 12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.357 -2.360 11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.454 -0.337 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.956 -0.924 9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.407 -1.087 8.746 1.00 0.00 H new ATOM 931 N ILE A 64 4.020 -1.836 6.871 1.00 0.00 N ATOM 932 CA ILE A 64 4.656 -1.040 5.829 1.00 0.00 C ATOM 933 C ILE A 64 5.258 0.239 6.405 1.00 0.00 C ATOM 934 O ILE A 64 4.787 0.759 7.417 1.00 0.00 O ATOM 935 CB ILE A 64 3.659 -0.669 4.717 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.189 -1.926 3.982 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.292 0.315 3.743 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.235 -2.511 3.058 1.00 0.00 C ATOM 0 H ILE A 64 3.356 -1.321 7.450 1.00 0.00 H new ATOM 0 HA ILE A 64 5.450 -1.653 5.403 1.00 0.00 H new ATOM 0 HB ILE A 64 2.792 -0.192 5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.901 -2.680 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.297 -1.687 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.574 0.567 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.581 1.220 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.175 -0.137 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.834 -3.399 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.506 -1.774 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.119 -2.782 3.635 1.00 0.00 H new ATOM 950 N LYS A 65 6.299 0.742 5.752 1.00 0.00 N ATOM 951 CA LYS A 65 6.965 1.961 6.195 1.00 0.00 C ATOM 952 C LYS A 65 7.102 2.955 5.046 1.00 0.00 C ATOM 953 O LYS A 65 7.879 2.738 4.115 1.00 0.00 O ATOM 954 CB LYS A 65 8.345 1.633 6.768 1.00 0.00 C ATOM 955 CG LYS A 65 8.420 1.752 8.281 1.00 0.00 C ATOM 956 CD LYS A 65 9.724 1.189 8.820 1.00 0.00 C ATOM 957 CE LYS A 65 9.506 -0.140 9.529 1.00 0.00 C ATOM 958 NZ LYS A 65 9.740 -0.031 10.996 1.00 0.00 N ATOM 0 H LYS A 65 6.701 0.324 4.913 1.00 0.00 H new ATOM 0 HA LYS A 65 6.354 2.416 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.618 0.618 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.082 2.301 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.328 2.799 8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.580 1.222 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.430 1.054 8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.172 1.903 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.488 -0.485 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.176 -0.890 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.581 -0.957 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.719 0.274 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.083 0.666 11.401 1.00 0.00 H new ATOM 972 N ILE A 66 6.344 4.043 5.117 1.00 0.00 N ATOM 973 CA ILE A 66 6.384 5.071 4.084 1.00 0.00 C ATOM 974 C ILE A 66 7.195 6.279 4.541 1.00 0.00 C ATOM 975 O ILE A 66 6.873 6.911 5.548 1.00 0.00 O ATOM 976 CB ILE A 66 4.968 5.534 3.696 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.106 4.334 3.296 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.034 6.546 2.562 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.726 4.348 3.914 1.00 0.00 C ATOM 0 H ILE A 66 5.694 4.236 5.879 1.00 0.00 H new ATOM 0 HA ILE A 66 6.863 4.624 3.213 1.00 0.00 H new ATOM 0 HB ILE A 66 4.510 6.015 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.009 4.313 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.617 3.417 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.025 6.864 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.616 7.411 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.508 6.089 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.172 3.468 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.814 4.338 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.196 5.248 3.601 1.00 0.00 H new ATOM 991 N SER A 67 8.246 6.597 3.792 1.00 0.00 N ATOM 992 CA SER A 67 9.104 7.729 4.122 1.00 0.00 C ATOM 993 C SER A 67 9.263 8.657 2.921 1.00 0.00 C ATOM 994 O SER A 67 9.224 8.217 1.772 1.00 0.00 O ATOM 995 CB SER A 67 10.476 7.238 4.587 1.00 0.00 C ATOM 996 OG SER A 67 10.961 6.207 3.745 1.00 0.00 O ATOM 0 H SER A 67 8.524 6.087 2.953 1.00 0.00 H new ATOM 0 HA SER A 67 8.633 8.287 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.181 8.069 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.407 6.873 5.612 1.00 0.00 H new ATOM 0 HG SER A 67 11.840 5.912 4.063 1.00 0.00 H new ATOM 1002 N GLY A 68 9.445 9.945 3.196 1.00 0.00 N ATOM 1003 CA GLY A 68 9.608 10.916 2.129 1.00 0.00 C ATOM 1004 C GLY A 68 9.052 12.277 2.495 1.00 0.00 C ATOM 1005 O GLY A 68 8.818 12.567 3.669 1.00 0.00 O ATOM 0 H GLY A 68 9.483 10.334 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.667 11.012 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.108 10.552 1.231 1.00 0.00 H new ATOM 1009 N THR A 69 8.841 13.119 1.487 1.00 0.00 N ATOM 1010 CA THR A 69 8.312 14.460 1.709 1.00 0.00 C ATOM 1011 C THR A 69 6.807 14.424 1.947 1.00 0.00 C ATOM 1012 O THR A 69 6.103 13.576 1.400 1.00 0.00 O ATOM 1013 CB THR A 69 8.609 15.385 0.514 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.638 15.180 -0.518 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.004 15.127 -0.036 1.00 0.00 C ATOM 0 H THR A 69 9.028 12.896 0.509 1.00 0.00 H new ATOM 0 HA THR A 69 8.808 14.853 2.596 1.00 0.00 H new ATOM 0 HB THR A 69 8.557 16.417 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.920 15.650 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.191 15.792 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.743 15.313 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.079 14.091 -0.367 1.00 0.00 H new ATOM 1023 N GLN A 70 6.321 15.350 2.768 1.00 0.00 N ATOM 1024 CA GLN A 70 4.898 15.424 3.078 1.00 0.00 C ATOM 1025 C GLN A 70 4.055 15.164 1.834 1.00 0.00 C ATOM 1026 O GLN A 70 2.917 14.702 1.926 1.00 0.00 O ATOM 1027 CB GLN A 70 4.552 16.793 3.665 1.00 0.00 C ATOM 1028 CG GLN A 70 3.275 16.797 4.489 1.00 0.00 C ATOM 1029 CD GLN A 70 3.481 16.253 5.889 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.090 16.905 6.738 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.974 15.051 6.138 1.00 0.00 N ATOM 0 H GLN A 70 6.891 16.059 3.230 1.00 0.00 H new ATOM 0 HA GLN A 70 4.673 14.653 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.379 17.130 4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.452 17.513 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.891 17.815 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.517 16.202 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.476 14.546 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.082 14.633 7.062 1.00 0.00 H new ATOM 1040 N LYS A 71 4.620 15.463 0.669 1.00 0.00 N ATOM 1041 CA LYS A 71 3.922 15.261 -0.595 1.00 0.00 C ATOM 1042 C LYS A 71 3.820 13.776 -0.929 1.00 0.00 C ATOM 1043 O LYS A 71 2.737 13.270 -1.219 1.00 0.00 O ATOM 1044 CB LYS A 71 4.645 16.000 -1.724 1.00 0.00 C ATOM 1045 CG LYS A 71 4.273 17.470 -1.824 1.00 0.00 C ATOM 1046 CD LYS A 71 5.237 18.228 -2.720 1.00 0.00 C ATOM 1047 CE LYS A 71 4.670 19.578 -3.134 1.00 0.00 C ATOM 1048 NZ LYS A 71 4.944 19.879 -4.566 1.00 0.00 N ATOM 0 H LYS A 71 5.560 15.846 0.574 1.00 0.00 H new ATOM 0 HA LYS A 71 2.914 15.663 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.721 15.916 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.418 15.511 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.260 17.564 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.273 17.915 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.182 18.374 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.452 17.635 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.594 19.589 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.102 20.360 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.542 20.807 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.971 19.894 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.510 19.147 -5.164 1.00 0.00 H new ATOM 1062 N GLU A 72 4.955 13.086 -0.885 1.00 0.00 N ATOM 1063 CA GLU A 72 4.991 11.658 -1.183 1.00 0.00 C ATOM 1064 C GLU A 72 4.320 10.854 -0.074 1.00 0.00 C ATOM 1065 O GLU A 72 3.281 10.228 -0.285 1.00 0.00 O ATOM 1066 CB GLU A 72 6.435 11.189 -1.365 1.00 0.00 C ATOM 1067 CG GLU A 72 7.329 12.217 -2.039 1.00 0.00 C ATOM 1068 CD GLU A 72 6.718 12.779 -3.308 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.617 13.363 -3.227 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.339 12.634 -4.381 1.00 0.00 O ATOM 0 H GLU A 72 5.860 13.491 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 72 4.443 11.493 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.853 10.940 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.439 10.273 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.527 13.033 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.290 11.759 -2.275 1.00 0.00 H new ATOM 1077 N VAL A 73 4.922 10.875 1.112 1.00 0.00 N ATOM 1078 CA VAL A 73 4.383 10.150 2.256 1.00 0.00 C ATOM 1079 C VAL A 73 2.862 10.240 2.298 1.00 0.00 C ATOM 1080 O VAL A 73 2.189 9.342 2.805 1.00 0.00 O ATOM 1081 CB VAL A 73 4.955 10.686 3.582 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.350 9.945 4.764 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.472 10.572 3.591 1.00 0.00 C ATOM 0 H VAL A 73 5.783 11.386 1.305 1.00 0.00 H new ATOM 0 HA VAL A 73 4.679 9.108 2.137 1.00 0.00 H new ATOM 0 HB VAL A 73 4.691 11.740 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.767 10.338 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.269 10.083 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.581 8.883 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.860 10.955 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.759 9.527 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.885 11.153 2.766 1.00 0.00 H new ATOM 1093 N ALA A 74 2.324 11.331 1.762 1.00 0.00 N ATOM 1094 CA ALA A 74 0.881 11.539 1.736 1.00 0.00 C ATOM 1095 C ALA A 74 0.261 10.928 0.484 1.00 0.00 C ATOM 1096 O ALA A 74 -0.821 10.346 0.537 1.00 0.00 O ATOM 1097 CB ALA A 74 0.561 13.025 1.816 1.00 0.00 C ATOM 0 H ALA A 74 2.866 12.085 1.340 1.00 0.00 H new ATOM 0 HA ALA A 74 0.450 11.039 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.520 13.166 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.963 13.434 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.010 13.540 0.967 1.00 0.00 H new ATOM 1103 N ALA A 75 0.955 11.065 -0.641 1.00 0.00 N ATOM 1104 CA ALA A 75 0.473 10.525 -1.907 1.00 0.00 C ATOM 1105 C ALA A 75 0.623 9.008 -1.949 1.00 0.00 C ATOM 1106 O ALA A 75 -0.345 8.286 -2.184 1.00 0.00 O ATOM 1107 CB ALA A 75 1.216 11.164 -3.071 1.00 0.00 C ATOM 0 H ALA A 75 1.853 11.545 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.587 10.761 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.846 10.751 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.053 12.242 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.282 10.957 -2.979 1.00 0.00 H new ATOM 1113 N ALA A 76 1.843 8.533 -1.723 1.00 0.00 N ATOM 1114 CA ALA A 76 2.119 7.101 -1.734 1.00 0.00 C ATOM 1115 C ALA A 76 1.134 6.345 -0.851 1.00 0.00 C ATOM 1116 O ALA A 76 0.643 5.278 -1.221 1.00 0.00 O ATOM 1117 CB ALA A 76 3.548 6.836 -1.282 1.00 0.00 C ATOM 0 H ALA A 76 2.656 9.118 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 76 2.000 6.741 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.741 5.763 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.242 7.337 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.686 7.217 -0.270 1.00 0.00 H new ATOM 1123 N LYS A 77 0.848 6.902 0.321 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.080 6.281 1.259 1.00 0.00 C ATOM 1125 C LYS A 77 -1.353 5.834 0.548 1.00 0.00 C ATOM 1126 O LYS A 77 -1.940 4.808 0.893 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.429 7.257 2.385 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.835 6.572 3.679 1.00 0.00 C ATOM 1129 CD LYS A 77 0.110 6.924 4.816 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.633 7.568 5.978 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.072 8.954 5.655 1.00 0.00 N ATOM 0 H LYS A 77 1.246 7.784 0.644 1.00 0.00 H new ATOM 0 HA LYS A 77 0.406 5.403 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.431 7.899 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.242 7.904 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.851 6.866 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.844 5.492 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.617 6.023 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.880 7.604 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.502 6.962 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.012 7.587 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.574 9.358 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.241 9.539 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.708 8.934 4.833 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.774 6.608 -0.447 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.977 6.289 -1.207 1.00 0.00 C ATOM 1147 C HIS A 78 -2.718 5.138 -2.176 1.00 0.00 C ATOM 1148 O HIS A 78 -3.390 4.107 -2.125 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.461 7.520 -1.976 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.849 7.377 -2.521 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.843 8.306 -2.299 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.405 6.408 -3.284 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.952 7.914 -2.901 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.713 6.765 -3.506 1.00 0.00 N ATOM 0 H HIS A 78 -1.300 7.460 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.751 5.982 -0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.426 8.387 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.775 7.717 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.912 5.519 -3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.893 8.443 -2.899 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.390 6.229 -4.050 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.742 5.323 -3.057 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.394 4.300 -4.038 1.00 0.00 C ATOM 1164 C LEU A 79 -1.280 2.930 -3.379 1.00 0.00 C ATOM 1165 O LEU A 79 -1.760 1.930 -3.915 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.079 4.657 -4.732 1.00 0.00 C ATOM 1167 CG LEU A 79 0.007 6.064 -5.324 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.405 6.333 -5.861 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.032 6.248 -6.420 1.00 0.00 C ATOM 0 H LEU A 79 -1.178 6.171 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.190 4.259 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.732 4.536 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.094 3.937 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.200 6.783 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.447 7.339 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.129 6.246 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.642 5.607 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.955 7.255 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.858 5.520 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.029 6.100 -6.005 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.642 2.891 -2.214 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.468 1.644 -1.481 1.00 0.00 C ATOM 1183 C ILE A 80 -1.813 1.043 -1.088 1.00 0.00 C ATOM 1184 O ILE A 80 -2.006 -0.171 -1.155 1.00 0.00 O ATOM 1185 CB ILE A 80 0.379 1.852 -0.210 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.777 2.351 -0.579 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.466 0.558 0.586 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.295 3.432 0.343 1.00 0.00 C ATOM 0 H ILE A 80 -0.237 3.709 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 80 0.053 0.957 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.104 2.606 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.470 1.510 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.760 2.733 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.067 0.721 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.536 0.241 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.929 -0.216 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.291 3.738 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.624 4.290 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.345 3.048 1.362 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.742 1.902 -0.681 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.071 1.456 -0.280 1.00 0.00 C ATOM 1202 C LEU A 81 -4.843 0.901 -1.474 1.00 0.00 C ATOM 1203 O LEU A 81 -5.626 -0.037 -1.335 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.849 2.613 0.350 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.770 2.723 1.873 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.539 4.166 2.293 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -6.038 2.176 2.514 1.00 0.00 C ATOM 0 H LEU A 81 -2.599 2.910 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.954 0.660 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.486 3.546 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.897 2.517 0.066 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.925 2.126 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.486 4.224 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.603 4.524 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.362 4.785 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.964 2.262 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.898 2.746 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.161 1.128 2.241 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.612 1.485 -2.644 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.285 1.047 -3.862 1.00 0.00 C ATOM 1221 C GLU A 82 -5.118 -0.456 -4.065 1.00 0.00 C ATOM 1222 O GLU A 82 -5.962 -1.109 -4.677 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.736 1.801 -5.075 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.185 3.251 -5.145 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.866 3.588 -6.457 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.276 3.304 -7.521 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -6.989 4.133 -6.421 1.00 0.00 O ATOM 0 H GLU A 82 -3.965 2.262 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.348 1.267 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.647 1.768 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.050 1.288 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.869 3.456 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.321 3.902 -5.011 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.021 -0.999 -3.547 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.741 -2.423 -3.669 1.00 0.00 C ATOM 1236 C LYS A 83 -4.439 -3.212 -2.567 1.00 0.00 C ATOM 1237 O LYS A 83 -4.895 -4.335 -2.786 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.232 -2.675 -3.612 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.531 -2.475 -4.945 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.632 -1.035 -5.418 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.722 -0.773 -6.609 1.00 0.00 C ATOM 1242 NZ LYS A 83 -1.463 -0.839 -7.899 1.00 0.00 N ATOM 0 H LYS A 83 -3.311 -0.472 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.124 -2.760 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.788 -2.007 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.055 -3.694 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.482 -2.755 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.972 -3.136 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.663 -0.812 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.367 -0.363 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.261 0.209 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.086 -1.505 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.808 -0.655 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.882 -1.784 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.218 -0.124 -7.903 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.523 -2.617 -1.381 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.169 -3.263 -0.245 1.00 0.00 C ATOM 1258 C VAL A 84 -6.636 -3.556 -0.542 1.00 0.00 C ATOM 1259 O VAL A 84 -7.135 -4.643 -0.247 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.076 -2.394 1.023 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.030 -2.904 2.092 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.648 -2.361 1.542 1.00 0.00 C ATOM 0 H VAL A 84 -4.151 -1.688 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.642 -4.201 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.368 -1.376 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.950 -2.277 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.052 -2.869 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.773 -3.932 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.601 -1.742 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.325 -3.374 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.993 -1.943 0.778 1.00 0.00 H new ATOM 1272 N SER A 85 -7.323 -2.580 -1.126 1.00 0.00 N ATOM 1273 CA SER A 85 -8.734 -2.731 -1.459 1.00 0.00 C ATOM 1274 C SER A 85 -8.914 -3.678 -2.642 1.00 0.00 C ATOM 1275 O SER A 85 -9.964 -4.302 -2.797 1.00 0.00 O ATOM 1276 CB SER A 85 -9.353 -1.369 -1.782 1.00 0.00 C ATOM 1277 OG SER A 85 -9.824 -0.732 -0.607 1.00 0.00 O ATOM 0 H SER A 85 -6.925 -1.675 -1.378 1.00 0.00 H new ATOM 0 HA SER A 85 -9.243 -3.157 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.612 -0.736 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.176 -1.497 -2.485 1.00 0.00 H new ATOM 0 HG SER A 85 -10.213 0.137 -0.840 1.00 0.00 H new ATOM 1283 N GLU A 86 -7.883 -3.778 -3.474 1.00 0.00 N ATOM 1284 CA GLU A 86 -7.928 -4.648 -4.644 1.00 0.00 C ATOM 1285 C GLU A 86 -8.012 -6.114 -4.230 1.00 0.00 C ATOM 1286 O GLU A 86 -9.017 -6.782 -4.474 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.693 -4.425 -5.520 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.932 -3.467 -6.676 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.599 -4.082 -8.021 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -6.912 -5.275 -8.223 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -6.026 -3.370 -8.873 1.00 0.00 O ATOM 0 H GLU A 86 -7.007 -3.268 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.822 -4.398 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.883 -4.039 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.361 -5.384 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.976 -3.153 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.329 -2.571 -6.531 1.00 0.00 H new ATOM 1298 N ASP A 87 -6.950 -6.607 -3.602 1.00 0.00 N ATOM 1299 CA ASP A 87 -6.905 -7.993 -3.152 1.00 0.00 C ATOM 1300 C ASP A 87 -8.047 -8.291 -2.186 1.00 0.00 C ATOM 1301 O ASP A 87 -8.641 -9.368 -2.225 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.563 -8.289 -2.480 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.124 -9.728 -2.672 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -5.677 -10.614 -1.986 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.229 -9.969 -3.508 1.00 0.00 O ATOM 0 H ASP A 87 -6.110 -6.068 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.017 -8.635 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.802 -7.623 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.639 -8.074 -1.414 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.349 -7.328 -1.320 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.419 -7.488 -0.343 1.00 0.00 C ATOM 1312 C GLU A 88 -10.676 -8.050 -1.000 1.00 0.00 C ATOM 1313 O GLU A 88 -11.289 -8.986 -0.489 1.00 0.00 O ATOM 1314 CB GLU A 88 -9.735 -6.148 0.325 1.00 0.00 C ATOM 1315 CG GLU A 88 -10.997 -6.172 1.171 1.00 0.00 C ATOM 1316 CD GLU A 88 -10.702 -6.197 2.658 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.070 -5.240 3.154 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -11.103 -7.173 3.326 1.00 0.00 O ATOM 0 H GLU A 88 -7.868 -6.430 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.080 -8.193 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.893 -5.857 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.838 -5.383 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.602 -5.296 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.590 -7.048 0.907 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.053 -7.471 -2.136 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.237 -7.913 -2.862 1.00 0.00 C ATOM 1327 C GLU A 89 -11.895 -9.051 -3.820 1.00 0.00 C ATOM 1328 O GLU A 89 -12.616 -10.045 -3.904 1.00 0.00 O ATOM 1329 CB GLU A 89 -12.852 -6.746 -3.637 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.297 -6.461 -3.263 1.00 0.00 C ATOM 1331 CD GLU A 89 -15.099 -5.895 -4.418 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -15.238 -6.594 -5.444 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -15.587 -4.752 -4.297 1.00 0.00 O ATOM 0 H GLU A 89 -10.555 -6.695 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.962 -8.279 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.257 -5.850 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.797 -6.961 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.767 -7.382 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.321 -5.758 -2.430 1.00 0.00 H new ATOM 1340 N LEU A 90 -10.789 -8.897 -4.540 1.00 0.00 N ATOM 1341 CA LEU A 90 -10.350 -9.909 -5.494 1.00 0.00 C ATOM 1342 C LEU A 90 -10.444 -11.306 -4.886 1.00 0.00 C ATOM 1343 O LEU A 90 -10.819 -12.264 -5.563 1.00 0.00 O ATOM 1344 CB LEU A 90 -8.914 -9.630 -5.939 1.00 0.00 C ATOM 1345 CG LEU A 90 -7.870 -10.672 -5.534 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -8.100 -11.976 -6.282 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -6.465 -10.148 -5.792 1.00 0.00 C ATOM 0 H LEU A 90 -10.180 -8.081 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.007 -9.865 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.903 -9.537 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.611 -8.665 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.973 -10.866 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.348 -12.705 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.093 -12.360 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.024 -11.798 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.736 -10.903 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.349 -9.925 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.303 -9.240 -5.211 1.00 0.00 H new ATOM 1359 N ARG A 91 -10.101 -11.413 -3.607 1.00 0.00 N ATOM 1360 CA ARG A 91 -10.148 -12.692 -2.908 1.00 0.00 C ATOM 1361 C ARG A 91 -11.590 -13.125 -2.662 1.00 0.00 C ATOM 1362 O ARG A 91 -11.902 -14.316 -2.669 1.00 0.00 O ATOM 1363 CB ARG A 91 -9.399 -12.598 -1.578 1.00 0.00 C ATOM 1364 CG ARG A 91 -7.890 -12.709 -1.719 1.00 0.00 C ATOM 1365 CD ARG A 91 -7.458 -14.145 -1.967 1.00 0.00 C ATOM 1366 NE ARG A 91 -6.127 -14.221 -2.563 1.00 0.00 N ATOM 1367 CZ ARG A 91 -5.003 -14.195 -1.856 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -5.049 -14.094 -0.535 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -3.829 -14.268 -2.470 1.00 0.00 N ATOM 0 H ARG A 91 -9.788 -10.630 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.665 -13.439 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.642 -11.649 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.752 -13.388 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.553 -12.079 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.410 -12.335 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.465 -14.693 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.178 -14.632 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.057 -14.298 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.949 -14.036 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.184 -14.074 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.789 -14.344 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.967 -14.248 -1.926 1.00 0.00 H new ATOM 1383 N LYS A 92 -12.466 -12.150 -2.444 1.00 0.00 N ATOM 1384 CA LYS A 92 -13.877 -12.429 -2.197 1.00 0.00 C ATOM 1385 C LYS A 92 -14.590 -12.811 -3.489 1.00 0.00 C ATOM 1386 O LYS A 92 -15.474 -13.668 -3.491 1.00 0.00 O ATOM 1387 CB LYS A 92 -14.555 -11.210 -1.569 1.00 0.00 C ATOM 1388 CG LYS A 92 -13.947 -10.792 -0.240 1.00 0.00 C ATOM 1389 CD LYS A 92 -14.981 -10.797 0.873 1.00 0.00 C ATOM 1390 CE LYS A 92 -15.509 -9.398 1.150 1.00 0.00 C ATOM 1391 NZ LYS A 92 -16.374 -9.363 2.361 1.00 0.00 N ATOM 0 H LYS A 92 -12.224 -11.159 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.941 -13.270 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.496 -10.373 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.613 -11.429 -1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.132 -11.468 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -13.517 -9.795 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.808 -11.452 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -14.538 -11.206 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.671 -8.713 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.076 -9.046 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.714 -8.393 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.187 -9.997 2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.826 -9.674 3.188 1.00 0.00 H new ATOM 1405 N ARG A 93 -14.199 -12.173 -4.587 1.00 0.00 N ATOM 1406 CA ARG A 93 -14.802 -12.447 -5.886 1.00 0.00 C ATOM 1407 C ARG A 93 -14.620 -13.912 -6.272 1.00 0.00 C ATOM 1408 O ARG A 93 -15.407 -14.465 -7.040 1.00 0.00 O ATOM 1409 CB ARG A 93 -14.188 -11.546 -6.958 1.00 0.00 C ATOM 1410 CG ARG A 93 -14.435 -10.065 -6.724 1.00 0.00 C ATOM 1411 CD ARG A 93 -15.200 -9.438 -7.879 1.00 0.00 C ATOM 1412 NE ARG A 93 -16.644 -9.603 -7.732 1.00 0.00 N ATOM 1413 CZ ARG A 93 -17.513 -9.386 -8.713 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -17.085 -8.999 -9.907 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -18.811 -9.557 -8.502 1.00 0.00 N ATOM 0 H ARG A 93 -13.467 -11.463 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 93 -15.869 -12.238 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.113 -11.724 -6.999 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -14.594 -11.824 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.996 -9.930 -5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.482 -9.552 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.961 -8.376 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.877 -9.891 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 93 -17.005 -9.901 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -16.087 -8.868 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -17.754 -8.833 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -19.144 -9.856 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -19.477 -9.390 -9.257 1.00 0.00 H new ATOM 1429 N ILE A 94 -13.575 -14.534 -5.735 1.00 0.00 N ATOM 1430 CA ILE A 94 -13.290 -15.933 -6.022 1.00 0.00 C ATOM 1431 C ILE A 94 -13.953 -16.851 -5.001 1.00 0.00 C ATOM 1432 O ILE A 94 -14.514 -17.888 -5.354 1.00 0.00 O ATOM 1433 CB ILE A 94 -11.774 -16.208 -6.034 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -11.051 -15.164 -6.888 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -11.494 -17.610 -6.554 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -9.544 -15.240 -6.789 1.00 0.00 C ATOM 0 H ILE A 94 -12.912 -14.090 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 94 -13.697 -16.140 -7.012 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.399 -16.138 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.345 -15.292 -7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.377 -14.169 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.419 -17.789 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.982 -18.341 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.880 -17.705 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.099 -14.471 -7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.239 -15.082 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.207 -16.222 -7.121 1.00 0.00 H new ATOM 1448 N ALA A 95 -13.885 -16.461 -3.732 1.00 0.00 N ATOM 1449 CA ALA A 95 -14.483 -17.247 -2.659 1.00 0.00 C ATOM 1450 C ALA A 95 -15.959 -16.907 -2.487 1.00 0.00 C ATOM 1451 O ALA A 95 -16.578 -17.274 -1.487 1.00 0.00 O ATOM 1452 CB ALA A 95 -13.731 -17.017 -1.356 1.00 0.00 C ATOM 0 H ALA A 95 -13.422 -15.606 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.409 -18.301 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.187 -17.609 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.690 -17.316 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.776 -15.961 -1.091 1.00 0.00 H new ATOM 1458 N HIS A 96 -16.518 -16.205 -3.467 1.00 0.00 N ATOM 1459 CA HIS A 96 -17.924 -15.816 -3.423 1.00 0.00 C ATOM 1460 C HIS A 96 -18.808 -17.012 -3.085 1.00 0.00 C ATOM 1461 O HIS A 96 -18.419 -18.162 -3.290 1.00 0.00 O ATOM 1462 CB HIS A 96 -18.350 -15.214 -4.763 1.00 0.00 C ATOM 1463 CG HIS A 96 -18.500 -16.229 -5.854 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -19.724 -16.689 -6.291 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -17.570 -16.872 -6.600 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -19.542 -17.572 -7.257 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -18.244 -17.700 -7.464 1.00 0.00 N ATOM 0 H HIS A 96 -16.020 -15.894 -4.301 1.00 0.00 H new ATOM 0 HA HIS A 96 -18.044 -15.066 -2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -19.297 -14.690 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -17.614 -14.470 -5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -16.499 -16.755 -6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -20.322 -18.099 -7.787 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -17.812 -18.314 -8.154 1.00 0.00 H new ATOM 1475 N SER A 97 -19.999 -16.733 -2.566 1.00 0.00 N ATOM 1476 CA SER A 97 -20.937 -17.786 -2.195 1.00 0.00 C ATOM 1477 C SER A 97 -20.533 -18.433 -0.873 1.00 0.00 C ATOM 1478 O SER A 97 -21.283 -18.399 0.102 1.00 0.00 O ATOM 1479 CB SER A 97 -21.006 -18.847 -3.295 1.00 0.00 C ATOM 1480 OG SER A 97 -22.348 -19.210 -3.568 1.00 0.00 O ATOM 0 H SER A 97 -20.337 -15.787 -2.393 1.00 0.00 H new ATOM 0 HA SER A 97 -21.922 -17.335 -2.073 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.537 -18.466 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 97 -20.442 -19.729 -2.991 1.00 0.00 H new ATOM 0 HG SER A 97 -22.366 -19.888 -4.275 1.00 0.00 H new ATOM 1486 N ALA A 98 -19.342 -19.021 -0.850 1.00 0.00 N ATOM 1487 CA ALA A 98 -18.835 -19.674 0.351 1.00 0.00 C ATOM 1488 C ALA A 98 -19.668 -20.904 0.699 1.00 0.00 C ATOM 1489 O ALA A 98 -19.937 -21.171 1.870 1.00 0.00 O ATOM 1490 CB ALA A 98 -18.821 -18.696 1.517 1.00 0.00 C ATOM 0 H ALA A 98 -18.710 -19.059 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 98 -17.814 -20.002 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -18.440 -19.197 2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.179 -17.849 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -19.834 -18.341 1.706 1.00 0.00 H new ATOM 1496 N SER A 99 -20.071 -21.649 -0.325 1.00 0.00 N ATOM 1497 CA SER A 99 -20.876 -22.849 -0.127 1.00 0.00 C ATOM 1498 C SER A 99 -20.002 -24.099 -0.141 1.00 0.00 C ATOM 1499 O SER A 99 -19.629 -24.597 -1.202 1.00 0.00 O ATOM 1500 CB SER A 99 -21.951 -22.951 -1.211 1.00 0.00 C ATOM 1501 OG SER A 99 -23.245 -23.033 -0.640 1.00 0.00 O ATOM 0 H SER A 99 -19.853 -21.443 -1.300 1.00 0.00 H new ATOM 0 HA SER A 99 -21.358 -22.777 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 99 -21.894 -22.082 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 99 -21.766 -23.830 -1.829 1.00 0.00 H new ATOM 0 HG SER A 99 -23.914 -23.096 -1.353 1.00 0.00 H new ATOM 1507 N GLY A 100 -19.677 -24.600 1.047 1.00 0.00 N ATOM 1508 CA GLY A 100 -18.849 -25.787 1.150 1.00 0.00 C ATOM 1509 C GLY A 100 -17.498 -25.611 0.485 1.00 0.00 C ATOM 1510 O GLY A 100 -17.125 -24.514 0.070 1.00 0.00 O ATOM 0 H GLY A 100 -19.972 -24.205 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.703 -26.035 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -19.368 -26.629 0.693 1.00 0.00 H new ATOM 1514 N PRO A 101 -16.739 -26.712 0.377 1.00 0.00 N ATOM 1515 CA PRO A 101 -15.410 -26.699 -0.241 1.00 0.00 C ATOM 1516 C PRO A 101 -15.473 -26.476 -1.748 1.00 0.00 C ATOM 1517 O PRO A 101 -16.193 -27.178 -2.459 1.00 0.00 O ATOM 1518 CB PRO A 101 -14.861 -28.094 0.071 1.00 0.00 C ATOM 1519 CG PRO A 101 -16.070 -28.946 0.250 1.00 0.00 C ATOM 1520 CD PRO A 101 -17.121 -28.053 0.849 1.00 0.00 C ATOM 0 HA PRO A 101 -14.791 -25.887 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.233 -28.463 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.246 -28.085 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.403 -29.356 -0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -15.858 -29.792 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.121 -28.328 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.124 -28.110 1.937 1.00 0.00 H new ATOM 1528 N SER A 102 -14.715 -25.496 -2.229 1.00 0.00 N ATOM 1529 CA SER A 102 -14.688 -25.179 -3.651 1.00 0.00 C ATOM 1530 C SER A 102 -14.579 -26.449 -4.489 1.00 0.00 C ATOM 1531 O SER A 102 -13.495 -27.012 -4.646 1.00 0.00 O ATOM 1532 CB SER A 102 -13.517 -24.245 -3.965 1.00 0.00 C ATOM 1533 OG SER A 102 -13.661 -23.005 -3.296 1.00 0.00 O ATOM 0 H SER A 102 -14.111 -24.908 -1.654 1.00 0.00 H new ATOM 0 HA SER A 102 -15.622 -24.677 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.581 -24.717 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.460 -24.077 -5.040 1.00 0.00 H new ATOM 0 HG SER A 102 -12.900 -22.427 -3.511 1.00 0.00 H new ATOM 1539 N SER A 103 -15.710 -26.897 -5.026 1.00 0.00 N ATOM 1540 CA SER A 103 -15.742 -28.103 -5.845 1.00 0.00 C ATOM 1541 C SER A 103 -15.455 -29.341 -5.001 1.00 0.00 C ATOM 1542 O SER A 103 -14.381 -29.470 -4.416 1.00 0.00 O ATOM 1543 CB SER A 103 -14.726 -28.000 -6.984 1.00 0.00 C ATOM 1544 OG SER A 103 -15.240 -28.560 -8.179 1.00 0.00 O ATOM 0 H SER A 103 -16.616 -26.443 -4.908 1.00 0.00 H new ATOM 0 HA SER A 103 -16.742 -28.198 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.467 -26.954 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.807 -28.515 -6.703 1.00 0.00 H new ATOM 0 HG SER A 103 -14.572 -28.480 -8.892 1.00 0.00 H new ATOM 1550 N GLY A 104 -16.425 -30.248 -4.943 1.00 0.00 N ATOM 1551 CA GLY A 104 -16.258 -31.464 -4.168 1.00 0.00 C ATOM 1552 C GLY A 104 -16.102 -32.692 -5.043 1.00 0.00 C ATOM 1553 O GLY A 104 -14.983 -33.133 -5.311 1.00 0.00 O ATOM 0 H GLY A 104 -17.323 -30.163 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -15.382 -31.365 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -17.120 -31.595 -3.513 1.00 0.00 H new TER 1557 GLY A 104