USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 673 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 67 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.857) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0623 (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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= 0.108 F(o=-1.2!,f=0.11) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 18 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.322 (180deg=-1.45) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= 0.0607 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.35! C(o=-2.4!,f=-6.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.01 K(o=1,f=-0.32) USER MOD Single : A 45 ASN : amide:sc= -1.63 K(o=-1.6,f=-5.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.494 (180deg=-0.937) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00769 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -31:sc= -0.179 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -52:sc= 0.946 USER MOD Single : A 91 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.260 20.449 -6.890 1.00 0.00 N ATOM 2 CA GLY A 1 8.613 20.309 -7.395 1.00 0.00 C ATOM 3 C GLY A 1 8.655 20.143 -8.901 1.00 0.00 C ATOM 4 O GLY A 1 7.642 20.312 -9.580 1.00 0.00 O ATOM 0 H1 GLY A 1 7.173 21.348 -6.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.590 20.439 -7.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.046 19.660 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.195 21.186 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.086 19.447 -6.924 1.00 0.00 H new ATOM 8 N SER A 2 9.831 19.812 -9.426 1.00 0.00 N ATOM 9 CA SER A 2 10.002 19.628 -10.862 1.00 0.00 C ATOM 10 C SER A 2 9.630 18.208 -11.277 1.00 0.00 C ATOM 11 O SER A 2 8.878 18.005 -12.230 1.00 0.00 O ATOM 12 CB SER A 2 11.447 19.928 -11.267 1.00 0.00 C ATOM 13 OG SER A 2 11.653 21.320 -11.432 1.00 0.00 O ATOM 0 H SER A 2 10.679 19.666 -8.878 1.00 0.00 H new ATOM 0 HA SER A 2 9.336 20.323 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.128 19.544 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.682 19.410 -12.197 1.00 0.00 H new ATOM 0 HG SER A 2 12.584 21.485 -11.689 1.00 0.00 H new ATOM 19 N SER A 3 10.162 17.228 -10.553 1.00 0.00 N ATOM 20 CA SER A 3 9.889 15.826 -10.847 1.00 0.00 C ATOM 21 C SER A 3 9.449 15.084 -9.589 1.00 0.00 C ATOM 22 O SER A 3 9.910 15.378 -8.487 1.00 0.00 O ATOM 23 CB SER A 3 11.130 15.157 -11.440 1.00 0.00 C ATOM 24 OG SER A 3 10.937 13.760 -11.584 1.00 0.00 O ATOM 0 H SER A 3 10.784 17.379 -9.759 1.00 0.00 H new ATOM 0 HA SER A 3 9.079 15.783 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.356 15.598 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.990 15.344 -10.797 1.00 0.00 H new ATOM 0 HG SER A 3 11.744 13.356 -11.967 1.00 0.00 H new ATOM 30 N GLY A 4 8.551 14.118 -9.763 1.00 0.00 N ATOM 31 CA GLY A 4 8.063 13.347 -8.635 1.00 0.00 C ATOM 32 C GLY A 4 6.658 12.822 -8.856 1.00 0.00 C ATOM 33 O GLY A 4 6.169 12.795 -9.985 1.00 0.00 O ATOM 0 H GLY A 4 8.153 13.856 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.736 12.509 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.079 13.969 -7.740 1.00 0.00 H new ATOM 37 N SER A 5 6.008 12.403 -7.776 1.00 0.00 N ATOM 38 CA SER A 5 4.652 11.870 -7.858 1.00 0.00 C ATOM 39 C SER A 5 3.622 12.968 -7.612 1.00 0.00 C ATOM 40 O SER A 5 2.660 13.112 -8.367 1.00 0.00 O ATOM 41 CB SER A 5 4.463 10.741 -6.843 1.00 0.00 C ATOM 42 OG SER A 5 4.840 9.491 -7.395 1.00 0.00 O ATOM 0 H SER A 5 6.397 12.422 -6.833 1.00 0.00 H new ATOM 0 HA SER A 5 4.503 11.474 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.059 10.944 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.421 10.703 -6.526 1.00 0.00 H new ATOM 0 HG SER A 5 4.712 8.786 -6.726 1.00 0.00 H new ATOM 48 N SER A 6 3.831 13.740 -6.550 1.00 0.00 N ATOM 49 CA SER A 6 2.919 14.823 -6.202 1.00 0.00 C ATOM 50 C SER A 6 1.487 14.310 -6.081 1.00 0.00 C ATOM 51 O SER A 6 0.545 14.951 -6.544 1.00 0.00 O ATOM 52 CB SER A 6 2.987 15.934 -7.251 1.00 0.00 C ATOM 53 OG SER A 6 4.234 16.606 -7.201 1.00 0.00 O ATOM 0 H SER A 6 4.623 13.635 -5.916 1.00 0.00 H new ATOM 0 HA SER A 6 3.226 15.226 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.838 15.510 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.179 16.646 -7.084 1.00 0.00 H new ATOM 0 HG SER A 6 4.254 17.310 -7.882 1.00 0.00 H new ATOM 59 N GLY A 7 1.332 13.148 -5.454 1.00 0.00 N ATOM 60 CA GLY A 7 0.014 12.567 -5.283 1.00 0.00 C ATOM 61 C GLY A 7 0.016 11.396 -4.321 1.00 0.00 C ATOM 62 O GLY A 7 1.074 10.877 -3.968 1.00 0.00 O ATOM 0 H GLY A 7 2.096 12.599 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.672 13.332 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.362 12.237 -6.251 1.00 0.00 H new ATOM 66 N MET A 8 -1.172 10.980 -3.894 1.00 0.00 N ATOM 67 CA MET A 8 -1.302 9.863 -2.965 1.00 0.00 C ATOM 68 C MET A 8 -0.924 8.549 -3.640 1.00 0.00 C ATOM 69 O MET A 8 -1.438 8.218 -4.708 1.00 0.00 O ATOM 70 CB MET A 8 -2.732 9.782 -2.429 1.00 0.00 C ATOM 71 CG MET A 8 -3.068 10.871 -1.423 1.00 0.00 C ATOM 72 SD MET A 8 -2.220 10.647 0.152 1.00 0.00 S ATOM 73 CE MET A 8 -3.375 11.431 1.273 1.00 0.00 C ATOM 0 H MET A 8 -2.058 11.399 -4.176 1.00 0.00 H new ATOM 0 HA MET A 8 -0.619 10.033 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.428 9.844 -3.265 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.881 8.809 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.800 11.841 -1.841 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.145 10.884 -1.253 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.990 11.374 2.291 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.503 12.476 0.992 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.337 10.921 1.220 1.00 0.00 H new ATOM 83 N ALA A 9 -0.022 7.803 -3.010 1.00 0.00 N ATOM 84 CA ALA A 9 0.424 6.524 -3.549 1.00 0.00 C ATOM 85 C ALA A 9 -0.653 5.456 -3.388 1.00 0.00 C ATOM 86 O ALA A 9 -1.067 5.142 -2.273 1.00 0.00 O ATOM 87 CB ALA A 9 1.712 6.085 -2.868 1.00 0.00 C ATOM 0 H ALA A 9 0.414 8.063 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 9 0.615 6.653 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.034 5.129 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.487 6.833 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.539 5.979 -1.797 1.00 0.00 H new ATOM 93 N ASN A 10 -1.102 4.902 -4.510 1.00 0.00 N ATOM 94 CA ASN A 10 -2.132 3.870 -4.493 1.00 0.00 C ATOM 95 C ASN A 10 -1.589 2.569 -3.910 1.00 0.00 C ATOM 96 O ASN A 10 -0.599 2.023 -4.398 1.00 0.00 O ATOM 97 CB ASN A 10 -2.662 3.626 -5.908 1.00 0.00 C ATOM 98 CG ASN A 10 -2.739 4.901 -6.724 1.00 0.00 C ATOM 99 OD1 ASN A 10 -1.635 5.257 -7.371 1.00 0.00 O flip ATOM 100 ND2 ASN A 10 -3.778 5.558 -6.773 1.00 0.00 N flip ATOM 0 H ASN A 10 -0.769 5.150 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.949 4.217 -3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.016 2.911 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.653 3.175 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.603 5.247 -6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.815 6.414 -7.327 1.00 0.00 H new ATOM 107 N TYR A 11 -2.244 2.078 -2.864 1.00 0.00 N ATOM 108 CA TYR A 11 -1.826 0.842 -2.212 1.00 0.00 C ATOM 109 C TYR A 11 -1.714 -0.296 -3.223 1.00 0.00 C ATOM 110 O TYR A 11 -0.677 -0.952 -3.324 1.00 0.00 O ATOM 111 CB TYR A 11 -2.814 0.463 -1.108 1.00 0.00 C ATOM 112 CG TYR A 11 -2.933 1.504 -0.018 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.803 2.008 0.615 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.175 1.985 0.378 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.907 2.958 1.612 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.288 2.937 1.373 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.151 3.420 1.987 1.00 0.00 C ATOM 118 OH TYR A 11 -3.259 4.368 2.979 1.00 0.00 O ATOM 0 H TYR A 11 -3.066 2.517 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.844 1.009 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.796 0.300 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.504 -0.483 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.827 1.651 0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.067 1.608 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.019 3.337 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.261 3.301 1.668 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.204 4.586 3.122 1.00 0.00 H new ATOM 128 N TYR A 12 -2.789 -0.523 -3.969 1.00 0.00 N ATOM 129 CA TYR A 12 -2.815 -1.582 -4.970 1.00 0.00 C ATOM 130 C TYR A 12 -1.598 -1.494 -5.887 1.00 0.00 C ATOM 131 O TYR A 12 -0.991 -2.509 -6.229 1.00 0.00 O ATOM 132 CB TYR A 12 -4.098 -1.499 -5.799 1.00 0.00 C ATOM 133 CG TYR A 12 -5.298 -2.121 -5.121 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.440 -3.501 -5.048 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.289 -1.329 -4.556 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.535 -4.075 -4.430 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.387 -1.894 -3.935 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.505 -3.267 -3.875 1.00 0.00 C ATOM 139 OH TYR A 12 -8.597 -3.833 -3.259 1.00 0.00 O ATOM 0 H TYR A 12 -3.654 0.013 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.788 -2.539 -4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.315 -0.453 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.935 -1.994 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.682 -4.136 -5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.200 -0.254 -4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.630 -5.150 -4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.148 -1.264 -3.499 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.185 -3.126 -2.920 1.00 0.00 H new ATOM 149 N GLU A 13 -1.247 -0.274 -6.279 1.00 0.00 N ATOM 150 CA GLU A 13 -0.103 -0.053 -7.156 1.00 0.00 C ATOM 151 C GLU A 13 1.205 -0.349 -6.428 1.00 0.00 C ATOM 152 O GLU A 13 2.013 -1.157 -6.885 1.00 0.00 O ATOM 153 CB GLU A 13 -0.098 1.388 -7.671 1.00 0.00 C ATOM 154 CG GLU A 13 -1.185 1.672 -8.694 1.00 0.00 C ATOM 155 CD GLU A 13 -0.810 2.788 -9.649 1.00 0.00 C ATOM 156 OE1 GLU A 13 0.401 2.978 -9.892 1.00 0.00 O ATOM 157 OE2 GLU A 13 -1.725 3.471 -10.154 1.00 0.00 O ATOM 0 H GLU A 13 -1.738 0.577 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.190 -0.734 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.219 2.067 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.873 1.602 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.389 0.765 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.106 1.937 -8.175 1.00 0.00 H new ATOM 164 N VAL A 14 1.406 0.312 -5.292 1.00 0.00 N ATOM 165 CA VAL A 14 2.615 0.120 -4.500 1.00 0.00 C ATOM 166 C VAL A 14 2.983 -1.356 -4.407 1.00 0.00 C ATOM 167 O VAL A 14 4.150 -1.726 -4.540 1.00 0.00 O ATOM 168 CB VAL A 14 2.450 0.687 -3.077 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.690 0.408 -2.243 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.157 2.179 -3.129 1.00 0.00 C ATOM 0 H VAL A 14 0.747 0.985 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 14 3.414 0.659 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 14 1.604 0.190 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.554 0.816 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.850 -0.668 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.556 0.876 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.043 2.563 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.981 2.695 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.236 2.350 -3.687 1.00 0.00 H new ATOM 180 N LEU A 15 1.980 -2.197 -4.178 1.00 0.00 N ATOM 181 CA LEU A 15 2.197 -3.635 -4.068 1.00 0.00 C ATOM 182 C LEU A 15 2.251 -4.285 -5.447 1.00 0.00 C ATOM 183 O LEU A 15 3.074 -5.164 -5.699 1.00 0.00 O ATOM 184 CB LEU A 15 1.087 -4.276 -3.233 1.00 0.00 C ATOM 185 CG LEU A 15 1.197 -4.095 -1.718 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.180 -4.131 -1.075 1.00 0.00 C ATOM 187 CD2 LEU A 15 2.097 -5.165 -1.118 1.00 0.00 C ATOM 0 H LEU A 15 1.009 -1.907 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 15 3.155 -3.796 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.131 -3.866 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.067 -5.344 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 15 1.642 -3.120 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.082 -4.001 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.793 -3.328 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.654 -5.090 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.164 -5.021 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.680 -6.150 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.092 -5.091 -1.556 1.00 0.00 H new ATOM 199 N GLY A 16 1.368 -3.844 -6.338 1.00 0.00 N ATOM 200 CA GLY A 16 1.333 -4.392 -7.682 1.00 0.00 C ATOM 201 C GLY A 16 0.230 -5.416 -7.862 1.00 0.00 C ATOM 202 O GLY A 16 0.430 -6.450 -8.500 1.00 0.00 O ATOM 0 H GLY A 16 0.676 -3.117 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.193 -3.582 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.294 -4.854 -7.908 1.00 0.00 H new ATOM 206 N VAL A 17 -0.939 -5.129 -7.297 1.00 0.00 N ATOM 207 CA VAL A 17 -2.079 -6.033 -7.398 1.00 0.00 C ATOM 208 C VAL A 17 -3.375 -5.261 -7.614 1.00 0.00 C ATOM 209 O VAL A 17 -3.446 -4.062 -7.345 1.00 0.00 O ATOM 210 CB VAL A 17 -2.217 -6.905 -6.136 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.966 -7.743 -5.925 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.498 -6.037 -4.918 1.00 0.00 C ATOM 0 H VAL A 17 -1.121 -4.278 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.897 -6.678 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.059 -7.583 -6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.083 -8.352 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.813 -8.392 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.104 -7.087 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.593 -6.669 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.677 -5.334 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.426 -5.485 -5.071 1.00 0.00 H new ATOM 222 N GLN A 18 -4.398 -5.956 -8.100 1.00 0.00 N ATOM 223 CA GLN A 18 -5.693 -5.335 -8.352 1.00 0.00 C ATOM 224 C GLN A 18 -6.737 -5.830 -7.357 1.00 0.00 C ATOM 225 O GLN A 18 -6.607 -6.917 -6.796 1.00 0.00 O ATOM 226 CB GLN A 18 -6.153 -5.628 -9.781 1.00 0.00 C ATOM 227 CG GLN A 18 -5.234 -5.053 -10.847 1.00 0.00 C ATOM 228 CD GLN A 18 -5.087 -3.548 -10.741 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.077 -2.821 -10.650 1.00 0.00 O ATOM 230 NE2 GLN A 18 -3.847 -3.072 -10.752 1.00 0.00 N ATOM 0 H GLN A 18 -4.355 -6.949 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.582 -4.258 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.223 -6.707 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.156 -5.224 -9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.251 -5.517 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.623 -5.308 -11.833 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.056 -3.711 -10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.686 -2.067 -10.683 1.00 0.00 H new ATOM 239 N ALA A 19 -7.772 -5.024 -7.143 1.00 0.00 N ATOM 240 CA ALA A 19 -8.839 -5.380 -6.217 1.00 0.00 C ATOM 241 C ALA A 19 -9.394 -6.766 -6.527 1.00 0.00 C ATOM 242 O ALA A 19 -9.666 -7.554 -5.620 1.00 0.00 O ATOM 243 CB ALA A 19 -9.950 -4.342 -6.266 1.00 0.00 C ATOM 0 H ALA A 19 -7.894 -4.120 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.421 -5.400 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.740 -4.621 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.549 -3.367 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.358 -4.293 -7.276 1.00 0.00 H new ATOM 249 N SER A 20 -9.561 -7.058 -7.813 1.00 0.00 N ATOM 250 CA SER A 20 -10.088 -8.348 -8.242 1.00 0.00 C ATOM 251 C SER A 20 -9.242 -9.492 -7.690 1.00 0.00 C ATOM 252 O SER A 20 -9.716 -10.619 -7.555 1.00 0.00 O ATOM 253 CB SER A 20 -10.133 -8.422 -9.769 1.00 0.00 C ATOM 254 OG SER A 20 -10.879 -9.546 -10.204 1.00 0.00 O ATOM 0 H SER A 20 -9.339 -6.418 -8.576 1.00 0.00 H new ATOM 0 HA SER A 20 -11.101 -8.447 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.578 -7.510 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.119 -8.480 -10.163 1.00 0.00 H new ATOM 0 HG SER A 20 -10.894 -9.570 -11.184 1.00 0.00 H new ATOM 260 N ALA A 21 -7.987 -9.191 -7.375 1.00 0.00 N ATOM 261 CA ALA A 21 -7.074 -10.192 -6.836 1.00 0.00 C ATOM 262 C ALA A 21 -7.663 -10.864 -5.600 1.00 0.00 C ATOM 263 O ALA A 21 -8.657 -10.398 -5.043 1.00 0.00 O ATOM 264 CB ALA A 21 -5.731 -9.559 -6.505 1.00 0.00 C ATOM 0 H ALA A 21 -7.579 -8.262 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.924 -10.958 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.060 -10.318 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.297 -9.133 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.872 -8.772 -5.764 1.00 0.00 H new ATOM 270 N SER A 22 -7.044 -11.961 -5.176 1.00 0.00 N ATOM 271 CA SER A 22 -7.510 -12.699 -4.008 1.00 0.00 C ATOM 272 C SER A 22 -6.728 -12.294 -2.762 1.00 0.00 C ATOM 273 O SER A 22 -5.646 -11.711 -2.839 1.00 0.00 O ATOM 274 CB SER A 22 -7.373 -14.205 -4.243 1.00 0.00 C ATOM 275 OG SER A 22 -8.561 -14.745 -4.795 1.00 0.00 O ATOM 0 H SER A 22 -6.218 -12.358 -5.624 1.00 0.00 H new ATOM 0 HA SER A 22 -8.561 -12.457 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.536 -14.397 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.146 -14.704 -3.301 1.00 0.00 H new ATOM 0 HG SER A 22 -8.447 -15.708 -4.937 1.00 0.00 H new ATOM 281 N PRO A 23 -7.288 -12.609 -1.585 1.00 0.00 N ATOM 282 CA PRO A 23 -6.662 -12.288 -0.299 1.00 0.00 C ATOM 283 C PRO A 23 -5.412 -13.123 -0.039 1.00 0.00 C ATOM 284 O PRO A 23 -4.688 -12.886 0.927 1.00 0.00 O ATOM 285 CB PRO A 23 -7.752 -12.626 0.721 1.00 0.00 C ATOM 286 CG PRO A 23 -8.599 -13.649 0.045 1.00 0.00 C ATOM 287 CD PRO A 23 -8.576 -13.304 -1.419 1.00 0.00 C ATOM 0 HA PRO A 23 -6.326 -11.252 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.323 -13.015 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.333 -11.743 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.210 -14.653 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.617 -13.632 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.635 -14.196 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.416 -12.666 -1.695 1.00 0.00 H new ATOM 295 N GLU A 24 -5.165 -14.098 -0.908 1.00 0.00 N ATOM 296 CA GLU A 24 -4.002 -14.967 -0.771 1.00 0.00 C ATOM 297 C GLU A 24 -2.836 -14.451 -1.609 1.00 0.00 C ATOM 298 O GLU A 24 -1.688 -14.457 -1.164 1.00 0.00 O ATOM 299 CB GLU A 24 -4.354 -16.396 -1.190 1.00 0.00 C ATOM 300 CG GLU A 24 -3.154 -17.328 -1.239 1.00 0.00 C ATOM 301 CD GLU A 24 -3.504 -18.701 -1.777 1.00 0.00 C ATOM 302 OE1 GLU A 24 -4.386 -19.362 -1.188 1.00 0.00 O ATOM 303 OE2 GLU A 24 -2.898 -19.116 -2.787 1.00 0.00 O ATOM 0 H GLU A 24 -5.754 -14.306 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.701 -14.967 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.089 -16.800 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.826 -16.372 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.379 -16.884 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.737 -17.430 -0.237 1.00 0.00 H new ATOM 310 N ASP A 25 -3.139 -14.007 -2.824 1.00 0.00 N ATOM 311 CA ASP A 25 -2.117 -13.488 -3.725 1.00 0.00 C ATOM 312 C ASP A 25 -1.451 -12.249 -3.134 1.00 0.00 C ATOM 313 O ASP A 25 -0.231 -12.094 -3.208 1.00 0.00 O ATOM 314 CB ASP A 25 -2.730 -13.152 -5.086 1.00 0.00 C ATOM 315 CG ASP A 25 -2.788 -14.355 -6.006 1.00 0.00 C ATOM 316 OD1 ASP A 25 -1.733 -14.985 -6.227 1.00 0.00 O ATOM 317 OD2 ASP A 25 -3.890 -14.666 -6.507 1.00 0.00 O ATOM 0 H ASP A 25 -4.084 -13.996 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.358 -14.259 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.737 -12.760 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.146 -12.363 -5.560 1.00 0.00 H new ATOM 322 N ILE A 26 -2.258 -11.371 -2.549 1.00 0.00 N ATOM 323 CA ILE A 26 -1.746 -10.147 -1.946 1.00 0.00 C ATOM 324 C ILE A 26 -0.829 -10.456 -0.767 1.00 0.00 C ATOM 325 O ILE A 26 0.213 -9.824 -0.594 1.00 0.00 O ATOM 326 CB ILE A 26 -2.890 -9.234 -1.467 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.796 -8.856 -2.640 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.329 -7.987 -0.801 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.221 -8.556 -2.231 1.00 0.00 C ATOM 0 H ILE A 26 -3.269 -11.484 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.178 -9.629 -2.719 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.485 -9.778 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.380 -7.983 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.798 -9.671 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.150 -7.352 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.722 -8.275 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.713 -7.439 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.806 -8.296 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.655 -9.435 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.230 -7.721 -1.530 1.00 0.00 H new ATOM 341 N LYS A 27 -1.224 -11.434 0.041 1.00 0.00 N ATOM 342 CA LYS A 27 -0.438 -11.831 1.203 1.00 0.00 C ATOM 343 C LYS A 27 0.956 -12.291 0.785 1.00 0.00 C ATOM 344 O LYS A 27 1.962 -11.790 1.287 1.00 0.00 O ATOM 345 CB LYS A 27 -1.148 -12.951 1.966 1.00 0.00 C ATOM 346 CG LYS A 27 -2.096 -12.449 3.041 1.00 0.00 C ATOM 347 CD LYS A 27 -2.254 -13.461 4.163 1.00 0.00 C ATOM 348 CE LYS A 27 -3.146 -14.620 3.747 1.00 0.00 C ATOM 349 NZ LYS A 27 -2.407 -15.623 2.930 1.00 0.00 N ATOM 0 H LYS A 27 -2.084 -11.967 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.336 -10.964 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.706 -13.564 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.400 -13.597 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.722 -11.509 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.070 -12.239 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.274 -13.841 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.678 -12.971 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.552 -15.103 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.993 -14.240 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.760 -16.577 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.552 -15.422 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.392 -15.571 3.151 1.00 0.00 H new ATOM 363 N LYS A 28 1.007 -13.246 -0.137 1.00 0.00 N ATOM 364 CA LYS A 28 2.277 -13.771 -0.625 1.00 0.00 C ATOM 365 C LYS A 28 3.112 -12.668 -1.267 1.00 0.00 C ATOM 366 O LYS A 28 4.338 -12.661 -1.157 1.00 0.00 O ATOM 367 CB LYS A 28 2.033 -14.894 -1.636 1.00 0.00 C ATOM 368 CG LYS A 28 1.307 -14.437 -2.890 1.00 0.00 C ATOM 369 CD LYS A 28 1.554 -15.383 -4.053 1.00 0.00 C ATOM 370 CE LYS A 28 1.175 -14.745 -5.380 1.00 0.00 C ATOM 371 NZ LYS A 28 1.214 -15.727 -6.499 1.00 0.00 N ATOM 0 H LYS A 28 0.183 -13.672 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 28 2.828 -14.170 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.991 -15.331 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.452 -15.683 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.237 -14.376 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.639 -13.434 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.605 -15.670 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.977 -16.297 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.174 -14.319 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.857 -13.922 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.810 -15.356 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.609 -16.626 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.250 -15.886 -6.855 1.00 0.00 H new ATOM 385 N ALA A 29 2.440 -11.736 -1.935 1.00 0.00 N ATOM 386 CA ALA A 29 3.120 -10.626 -2.591 1.00 0.00 C ATOM 387 C ALA A 29 3.918 -9.801 -1.587 1.00 0.00 C ATOM 388 O ALA A 29 5.103 -9.536 -1.790 1.00 0.00 O ATOM 389 CB ALA A 29 2.114 -9.747 -3.319 1.00 0.00 C ATOM 0 H ALA A 29 1.425 -11.728 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 29 3.818 -11.039 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.636 -8.922 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.591 -10.338 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.393 -9.350 -2.604 1.00 0.00 H new ATOM 395 N TYR A 30 3.262 -9.398 -0.505 1.00 0.00 N ATOM 396 CA TYR A 30 3.910 -8.600 0.529 1.00 0.00 C ATOM 397 C TYR A 30 5.134 -9.320 1.085 1.00 0.00 C ATOM 398 O TYR A 30 6.210 -8.734 1.208 1.00 0.00 O ATOM 399 CB TYR A 30 2.925 -8.296 1.660 1.00 0.00 C ATOM 400 CG TYR A 30 3.596 -7.983 2.978 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.218 -6.759 3.191 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.607 -8.911 4.012 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.833 -6.469 4.393 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.217 -8.629 5.219 1.00 0.00 C ATOM 405 CZ TYR A 30 4.829 -7.407 5.404 1.00 0.00 C ATOM 406 OH TYR A 30 5.439 -7.122 6.605 1.00 0.00 O ATOM 0 H TYR A 30 2.282 -9.611 -0.321 1.00 0.00 H new ATOM 0 HA TYR A 30 4.236 -7.663 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.301 -7.451 1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.262 -9.151 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.221 -6.021 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.130 -9.870 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.314 -5.513 4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.215 -9.361 6.013 1.00 0.00 H new ATOM 0 HH TYR A 30 5.345 -7.888 7.209 1.00 0.00 H new ATOM 416 N ARG A 31 4.962 -10.595 1.420 1.00 0.00 N ATOM 417 CA ARG A 31 6.052 -11.396 1.963 1.00 0.00 C ATOM 418 C ARG A 31 7.349 -11.137 1.203 1.00 0.00 C ATOM 419 O ARG A 31 8.361 -10.754 1.791 1.00 0.00 O ATOM 420 CB ARG A 31 5.700 -12.883 1.901 1.00 0.00 C ATOM 421 CG ARG A 31 4.424 -13.239 2.646 1.00 0.00 C ATOM 422 CD ARG A 31 4.458 -14.671 3.156 1.00 0.00 C ATOM 423 NE ARG A 31 5.091 -14.770 4.468 1.00 0.00 N ATOM 424 CZ ARG A 31 4.445 -14.573 5.612 1.00 0.00 C ATOM 425 NH1 ARG A 31 3.155 -14.268 5.605 1.00 0.00 N ATOM 426 NH2 ARG A 31 5.090 -14.680 6.767 1.00 0.00 N ATOM 0 H ARG A 31 4.078 -11.095 1.325 1.00 0.00 H new ATOM 0 HA ARG A 31 6.198 -11.107 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.596 -13.180 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.526 -13.461 2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.288 -12.556 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.567 -13.107 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.441 -15.059 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.998 -15.296 2.445 1.00 0.00 H new ATOM 0 HE ARG A 31 6.083 -15.003 4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.656 -14.184 4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.662 -14.117 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.083 -14.914 6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.593 -14.528 7.645 1.00 0.00 H new ATOM 440 N LYS A 32 7.313 -11.348 -0.109 1.00 0.00 N ATOM 441 CA LYS A 32 8.484 -11.137 -0.951 1.00 0.00 C ATOM 442 C LYS A 32 8.795 -9.650 -1.088 1.00 0.00 C ATOM 443 O LYS A 32 9.894 -9.202 -0.758 1.00 0.00 O ATOM 444 CB LYS A 32 8.260 -11.751 -2.335 1.00 0.00 C ATOM 445 CG LYS A 32 8.548 -13.241 -2.392 1.00 0.00 C ATOM 446 CD LYS A 32 7.467 -14.046 -1.689 1.00 0.00 C ATOM 447 CE LYS A 32 6.350 -14.434 -2.645 1.00 0.00 C ATOM 448 NZ LYS A 32 5.679 -15.697 -2.230 1.00 0.00 N ATOM 0 H LYS A 32 6.484 -11.665 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 32 9.334 -11.626 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.227 -11.577 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.895 -11.239 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.621 -13.559 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.513 -13.444 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.905 -14.945 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.056 -13.463 -0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.615 -13.630 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.756 -14.552 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.924 -15.928 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.375 -16.470 -2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.269 -15.577 -1.282 1.00 0.00 H new ATOM 462 N LEU A 33 7.820 -8.889 -1.575 1.00 0.00 N ATOM 463 CA LEU A 33 7.990 -7.451 -1.754 1.00 0.00 C ATOM 464 C LEU A 33 8.796 -6.850 -0.607 1.00 0.00 C ATOM 465 O LEU A 33 9.837 -6.231 -0.824 1.00 0.00 O ATOM 466 CB LEU A 33 6.626 -6.765 -1.848 1.00 0.00 C ATOM 467 CG LEU A 33 5.841 -7.006 -3.138 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.437 -6.431 -3.024 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.572 -6.402 -4.328 1.00 0.00 C ATOM 0 H LEU A 33 6.905 -9.244 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 33 8.538 -7.288 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.016 -7.097 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.773 -5.691 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 33 5.759 -8.081 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.893 -6.612 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.913 -6.911 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.497 -5.358 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.999 -6.583 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.686 -5.328 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.556 -6.861 -4.422 1.00 0.00 H new ATOM 481 N ALA A 34 8.308 -7.040 0.615 1.00 0.00 N ATOM 482 CA ALA A 34 8.985 -6.521 1.797 1.00 0.00 C ATOM 483 C ALA A 34 10.492 -6.735 1.705 1.00 0.00 C ATOM 484 O ALA A 34 11.275 -5.806 1.909 1.00 0.00 O ATOM 485 CB ALA A 34 8.432 -7.178 3.053 1.00 0.00 C ATOM 0 H ALA A 34 7.447 -7.549 0.812 1.00 0.00 H new ATOM 0 HA ALA A 34 8.800 -5.448 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.947 -6.781 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.365 -6.969 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.587 -8.255 2.999 1.00 0.00 H new ATOM 491 N LEU A 35 10.893 -7.963 1.397 1.00 0.00 N ATOM 492 CA LEU A 35 12.307 -8.299 1.278 1.00 0.00 C ATOM 493 C LEU A 35 12.927 -7.625 0.058 1.00 0.00 C ATOM 494 O LEU A 35 14.071 -7.172 0.101 1.00 0.00 O ATOM 495 CB LEU A 35 12.485 -9.815 1.182 1.00 0.00 C ATOM 496 CG LEU A 35 12.414 -10.584 2.502 1.00 0.00 C ATOM 497 CD1 LEU A 35 11.993 -12.025 2.259 1.00 0.00 C ATOM 498 CD2 LEU A 35 13.754 -10.533 3.222 1.00 0.00 C ATOM 0 H LEU A 35 10.259 -8.743 1.225 1.00 0.00 H new ATOM 0 HA LEU A 35 12.817 -7.935 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.720 -10.209 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.450 -10.019 0.717 1.00 0.00 H new ATOM 0 HG LEU A 35 11.665 -10.110 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.948 -12.556 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.011 -12.042 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.718 -12.511 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.685 -11.085 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.523 -10.981 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.016 -9.496 3.431 1.00 0.00 H new ATOM 510 N ARG A 36 12.162 -7.560 -1.027 1.00 0.00 N ATOM 511 CA ARG A 36 12.636 -6.940 -2.259 1.00 0.00 C ATOM 512 C ARG A 36 13.011 -5.480 -2.023 1.00 0.00 C ATOM 513 O ARG A 36 14.116 -5.051 -2.356 1.00 0.00 O ATOM 514 CB ARG A 36 11.564 -7.034 -3.347 1.00 0.00 C ATOM 515 CG ARG A 36 11.887 -6.224 -4.592 1.00 0.00 C ATOM 516 CD ARG A 36 11.151 -6.758 -5.810 1.00 0.00 C ATOM 517 NE ARG A 36 9.845 -6.127 -5.981 1.00 0.00 N ATOM 518 CZ ARG A 36 9.641 -5.055 -6.738 1.00 0.00 C ATOM 519 NH1 ARG A 36 10.651 -4.497 -7.390 1.00 0.00 N ATOM 520 NH2 ARG A 36 8.423 -4.538 -6.843 1.00 0.00 N ATOM 0 H ARG A 36 11.212 -7.929 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 36 13.526 -7.477 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.434 -8.079 -3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.613 -6.693 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.615 -5.181 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.961 -6.249 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.755 -6.589 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.023 -7.836 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 36 9.046 -6.532 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.589 -4.891 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.491 -3.674 -7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.643 -4.964 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.267 -3.715 -7.424 1.00 0.00 H new ATOM 534 N TRP A 37 12.084 -4.722 -1.449 1.00 0.00 N ATOM 535 CA TRP A 37 12.317 -3.310 -1.170 1.00 0.00 C ATOM 536 C TRP A 37 13.025 -3.129 0.169 1.00 0.00 C ATOM 537 O TRP A 37 13.028 -2.037 0.738 1.00 0.00 O ATOM 538 CB TRP A 37 10.993 -2.544 -1.168 1.00 0.00 C ATOM 539 CG TRP A 37 10.529 -2.156 -2.539 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.480 -2.690 -3.231 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.100 -1.152 -3.385 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.364 -2.078 -4.456 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.346 -1.130 -4.574 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.174 -0.267 -3.252 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.634 -0.260 -5.622 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.459 0.596 -4.294 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.691 0.595 -5.466 1.00 0.00 C ATOM 0 H TRP A 37 11.164 -5.061 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 37 12.958 -2.911 -1.956 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.227 -3.158 -0.693 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.103 -1.645 -0.561 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.836 -3.478 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.661 -2.294 -5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.770 -0.258 -2.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.044 -0.260 -6.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.288 1.283 -4.203 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.938 1.282 -6.262 1.00 0.00 H new ATOM 558 N HIS A 38 13.625 -4.206 0.666 1.00 0.00 N ATOM 559 CA HIS A 38 14.337 -4.165 1.938 1.00 0.00 C ATOM 560 C HIS A 38 15.617 -3.344 1.818 1.00 0.00 C ATOM 561 O HIS A 38 16.338 -3.415 0.822 1.00 0.00 O ATOM 562 CB HIS A 38 14.668 -5.582 2.407 1.00 0.00 C ATOM 563 CG HIS A 38 14.838 -5.698 3.890 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.035 -5.461 4.532 1.00 0.00 N ATOM 565 CD2 HIS A 38 13.952 -6.027 4.860 1.00 0.00 C ATOM 566 CE1 HIS A 38 15.879 -5.640 5.831 1.00 0.00 C ATOM 567 NE2 HIS A 38 14.624 -5.984 6.057 1.00 0.00 N ATOM 0 H HIS A 38 13.632 -5.117 0.208 1.00 0.00 H new ATOM 0 HA HIS A 38 13.689 -3.689 2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 38 13.874 -6.257 2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.584 -5.913 1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.911 -6.277 4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.647 -5.525 6.581 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.220 -6.185 6.972 1.00 0.00 H new ATOM 575 N PRO A 39 15.908 -2.545 2.855 1.00 0.00 N ATOM 576 CA PRO A 39 17.102 -1.695 2.888 1.00 0.00 C ATOM 577 C PRO A 39 18.387 -2.505 3.026 1.00 0.00 C ATOM 578 O PRO A 39 19.405 -2.181 2.414 1.00 0.00 O ATOM 579 CB PRO A 39 16.883 -0.825 4.128 1.00 0.00 C ATOM 580 CG PRO A 39 15.985 -1.630 5.002 1.00 0.00 C ATOM 581 CD PRO A 39 15.095 -2.410 4.074 1.00 0.00 C ATOM 0 HA PRO A 39 17.223 -1.126 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.826 -0.603 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.428 0.130 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.560 -2.297 5.644 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.398 -0.986 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.833 -3.382 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.160 -1.885 3.878 1.00 0.00 H new ATOM 589 N ASP A 40 18.332 -3.559 3.832 1.00 0.00 N ATOM 590 CA ASP A 40 19.492 -4.417 4.049 1.00 0.00 C ATOM 591 C ASP A 40 19.862 -5.163 2.771 1.00 0.00 C ATOM 592 O ASP A 40 21.041 -5.363 2.475 1.00 0.00 O ATOM 593 CB ASP A 40 19.212 -5.415 5.173 1.00 0.00 C ATOM 594 CG ASP A 40 20.470 -5.821 5.914 1.00 0.00 C ATOM 595 OD1 ASP A 40 21.057 -4.961 6.603 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.870 -7.000 5.804 1.00 0.00 O ATOM 0 H ASP A 40 17.497 -3.840 4.346 1.00 0.00 H new ATOM 0 HA ASP A 40 20.332 -3.785 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.505 -4.976 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.737 -6.303 4.756 1.00 0.00 H new ATOM 601 N LYS A 41 18.849 -5.573 2.016 1.00 0.00 N ATOM 602 CA LYS A 41 19.066 -6.297 0.769 1.00 0.00 C ATOM 603 C LYS A 41 19.624 -5.371 -0.307 1.00 0.00 C ATOM 604 O LYS A 41 20.219 -5.826 -1.283 1.00 0.00 O ATOM 605 CB LYS A 41 17.758 -6.927 0.286 1.00 0.00 C ATOM 606 CG LYS A 41 17.450 -8.264 0.939 1.00 0.00 C ATOM 607 CD LYS A 41 18.258 -9.389 0.314 1.00 0.00 C ATOM 608 CE LYS A 41 17.613 -10.743 0.565 1.00 0.00 C ATOM 609 NZ LYS A 41 18.172 -11.797 -0.327 1.00 0.00 N ATOM 0 H LYS A 41 17.868 -5.416 2.246 1.00 0.00 H new ATOM 0 HA LYS A 41 19.794 -7.086 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.937 -6.238 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.807 -7.062 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.667 -8.208 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.386 -8.481 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.348 -9.221 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.268 -9.384 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.764 -11.030 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.537 -10.668 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.707 -12.705 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.006 -11.536 -1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.194 -11.887 -0.160 1.00 0.00 H new ATOM 623 N ASN A 42 19.429 -4.069 -0.121 1.00 0.00 N ATOM 624 CA ASN A 42 19.914 -3.080 -1.076 1.00 0.00 C ATOM 625 C ASN A 42 21.096 -2.303 -0.502 1.00 0.00 C ATOM 626 O ASN A 42 20.936 -1.396 0.315 1.00 0.00 O ATOM 627 CB ASN A 42 18.790 -2.113 -1.456 1.00 0.00 C ATOM 628 CG ASN A 42 17.732 -2.769 -2.322 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.978 -3.093 -3.484 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.546 -2.968 -1.758 1.00 0.00 N ATOM 0 H ASN A 42 18.939 -3.675 0.682 1.00 0.00 H new ATOM 0 HA ASN A 42 20.248 -3.608 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.325 -1.726 -0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.212 -1.260 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.795 -3.405 -2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.387 -2.683 -0.792 1.00 0.00 H new ATOM 637 N PRO A 43 22.311 -2.665 -0.940 1.00 0.00 N ATOM 638 CA PRO A 43 23.543 -2.015 -0.484 1.00 0.00 C ATOM 639 C PRO A 43 23.672 -0.588 -1.006 1.00 0.00 C ATOM 640 O PRO A 43 23.920 0.343 -0.240 1.00 0.00 O ATOM 641 CB PRO A 43 24.647 -2.900 -1.066 1.00 0.00 C ATOM 642 CG PRO A 43 24.027 -3.547 -2.256 1.00 0.00 C ATOM 643 CD PRO A 43 22.575 -3.738 -1.914 1.00 0.00 C ATOM 0 HA PRO A 43 23.579 -1.925 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.520 -2.311 -1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 43 24.982 -3.642 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.140 -2.923 -3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.505 -4.502 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.939 -3.647 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.389 -4.723 -1.487 1.00 0.00 H new ATOM 651 N ASP A 44 23.502 -0.424 -2.313 1.00 0.00 N ATOM 652 CA ASP A 44 23.599 0.891 -2.938 1.00 0.00 C ATOM 653 C ASP A 44 22.768 1.917 -2.174 1.00 0.00 C ATOM 654 O ASP A 44 23.289 2.932 -1.713 1.00 0.00 O ATOM 655 CB ASP A 44 23.135 0.822 -4.394 1.00 0.00 C ATOM 656 CG ASP A 44 24.078 0.016 -5.265 1.00 0.00 C ATOM 657 OD1 ASP A 44 25.298 0.282 -5.222 1.00 0.00 O ATOM 658 OD2 ASP A 44 23.597 -0.880 -5.990 1.00 0.00 O ATOM 0 H ASP A 44 23.296 -1.185 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 44 24.643 1.203 -2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 44 22.140 0.379 -4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.051 1.833 -4.794 1.00 0.00 H new ATOM 663 N ASN A 45 21.474 1.646 -2.046 1.00 0.00 N ATOM 664 CA ASN A 45 20.570 2.547 -1.339 1.00 0.00 C ATOM 665 C ASN A 45 19.865 1.825 -0.196 1.00 0.00 C ATOM 666 O ASN A 45 19.026 0.953 -0.421 1.00 0.00 O ATOM 667 CB ASN A 45 19.536 3.128 -2.306 1.00 0.00 C ATOM 668 CG ASN A 45 18.647 2.058 -2.911 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.119 0.991 -3.302 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.352 2.342 -2.991 1.00 0.00 N ATOM 0 H ASN A 45 21.027 0.810 -2.422 1.00 0.00 H new ATOM 0 HA ASN A 45 21.163 3.360 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.918 3.855 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.049 3.664 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.704 1.662 -3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.005 3.240 -2.654 1.00 0.00 H new ATOM 677 N LYS A 46 20.211 2.193 1.033 1.00 0.00 N ATOM 678 CA LYS A 46 19.611 1.583 2.213 1.00 0.00 C ATOM 679 C LYS A 46 18.404 2.386 2.687 1.00 0.00 C ATOM 680 O LYS A 46 17.280 1.886 2.695 1.00 0.00 O ATOM 681 CB LYS A 46 20.642 1.479 3.339 1.00 0.00 C ATOM 682 CG LYS A 46 21.437 0.185 3.319 1.00 0.00 C ATOM 683 CD LYS A 46 22.828 0.376 3.900 1.00 0.00 C ATOM 684 CE LYS A 46 23.430 -0.946 4.351 1.00 0.00 C ATOM 685 NZ LYS A 46 24.824 -0.780 4.847 1.00 0.00 N ATOM 0 H LYS A 46 20.905 2.912 1.238 1.00 0.00 H new ATOM 0 HA LYS A 46 19.275 0.582 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.331 2.320 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.131 1.567 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.906 -0.578 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.516 -0.178 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.475 0.836 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.779 1.062 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.813 -1.376 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.422 -1.651 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.199 -1.703 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.419 -0.394 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.829 -0.127 5.656 1.00 0.00 H new ATOM 699 N GLU A 47 18.645 3.633 3.080 1.00 0.00 N ATOM 700 CA GLU A 47 17.577 4.504 3.554 1.00 0.00 C ATOM 701 C GLU A 47 16.420 4.537 2.560 1.00 0.00 C ATOM 702 O GLU A 47 15.294 4.164 2.890 1.00 0.00 O ATOM 703 CB GLU A 47 18.107 5.921 3.782 1.00 0.00 C ATOM 704 CG GLU A 47 17.215 6.769 4.673 1.00 0.00 C ATOM 705 CD GLU A 47 17.532 6.599 6.146 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.841 5.462 6.560 1.00 0.00 O ATOM 707 OE2 GLU A 47 17.470 7.603 6.886 1.00 0.00 O ATOM 0 H GLU A 47 19.570 4.062 3.079 1.00 0.00 H new ATOM 0 HA GLU A 47 17.210 4.104 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.100 5.861 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.220 6.417 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.327 7.818 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.173 6.503 4.496 1.00 0.00 H new ATOM 714 N GLU A 48 16.706 4.985 1.341 1.00 0.00 N ATOM 715 CA GLU A 48 15.689 5.068 0.300 1.00 0.00 C ATOM 716 C GLU A 48 14.795 3.831 0.313 1.00 0.00 C ATOM 717 O GLU A 48 13.577 3.934 0.451 1.00 0.00 O ATOM 718 CB GLU A 48 16.345 5.222 -1.074 1.00 0.00 C ATOM 719 CG GLU A 48 15.361 5.150 -2.230 1.00 0.00 C ATOM 720 CD GLU A 48 15.803 5.975 -3.423 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.613 6.906 -3.233 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.338 5.690 -4.547 1.00 0.00 O ATOM 0 H GLU A 48 17.633 5.296 1.051 1.00 0.00 H new ATOM 0 HA GLU A 48 15.072 5.944 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.868 6.177 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.096 4.442 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.241 4.111 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.384 5.498 -1.894 1.00 0.00 H new ATOM 729 N ALA A 49 15.411 2.662 0.168 1.00 0.00 N ATOM 730 CA ALA A 49 14.673 1.405 0.164 1.00 0.00 C ATOM 731 C ALA A 49 13.816 1.268 1.418 1.00 0.00 C ATOM 732 O ALA A 49 12.673 0.817 1.353 1.00 0.00 O ATOM 733 CB ALA A 49 15.632 0.230 0.047 1.00 0.00 C ATOM 0 H ALA A 49 16.419 2.560 0.052 1.00 0.00 H new ATOM 0 HA ALA A 49 14.009 1.405 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.067 -0.702 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.198 0.313 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.320 0.236 0.893 1.00 0.00 H new ATOM 739 N GLU A 50 14.377 1.659 2.558 1.00 0.00 N ATOM 740 CA GLU A 50 13.663 1.578 3.827 1.00 0.00 C ATOM 741 C GLU A 50 12.251 2.143 3.695 1.00 0.00 C ATOM 742 O GLU A 50 11.271 1.483 4.038 1.00 0.00 O ATOM 743 CB GLU A 50 14.426 2.334 4.917 1.00 0.00 C ATOM 744 CG GLU A 50 14.076 1.888 6.326 1.00 0.00 C ATOM 745 CD GLU A 50 14.442 2.922 7.373 1.00 0.00 C ATOM 746 OE1 GLU A 50 15.465 3.615 7.189 1.00 0.00 O ATOM 747 OE2 GLU A 50 13.708 3.037 8.376 1.00 0.00 O ATOM 0 H GLU A 50 15.323 2.035 2.629 1.00 0.00 H new ATOM 0 HA GLU A 50 13.591 0.527 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.496 2.201 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.219 3.400 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.007 1.681 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.593 0.954 6.547 1.00 0.00 H new ATOM 754 N LYS A 51 12.156 3.370 3.194 1.00 0.00 N ATOM 755 CA LYS A 51 10.867 4.026 3.015 1.00 0.00 C ATOM 756 C LYS A 51 9.854 3.073 2.387 1.00 0.00 C ATOM 757 O LYS A 51 8.788 2.824 2.951 1.00 0.00 O ATOM 758 CB LYS A 51 11.022 5.271 2.139 1.00 0.00 C ATOM 759 CG LYS A 51 9.699 5.869 1.692 1.00 0.00 C ATOM 760 CD LYS A 51 8.888 6.375 2.873 1.00 0.00 C ATOM 761 CE LYS A 51 9.122 7.858 3.115 1.00 0.00 C ATOM 762 NZ LYS A 51 10.538 8.145 3.477 1.00 0.00 N ATOM 0 H LYS A 51 12.958 3.930 2.905 1.00 0.00 H new ATOM 0 HA LYS A 51 10.500 4.324 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.584 6.025 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.611 5.014 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.885 6.690 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.124 5.118 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.828 6.198 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.156 5.813 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.856 8.419 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.466 8.203 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.599 9.082 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.880 7.422 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.125 8.131 2.619 1.00 0.00 H new ATOM 776 N LYS A 52 10.195 2.542 1.218 1.00 0.00 N ATOM 777 CA LYS A 52 9.317 1.614 0.514 1.00 0.00 C ATOM 778 C LYS A 52 8.855 0.494 1.441 1.00 0.00 C ATOM 779 O LYS A 52 7.685 0.108 1.429 1.00 0.00 O ATOM 780 CB LYS A 52 10.036 1.021 -0.699 1.00 0.00 C ATOM 781 CG LYS A 52 10.364 2.045 -1.772 1.00 0.00 C ATOM 782 CD LYS A 52 9.198 2.245 -2.726 1.00 0.00 C ATOM 783 CE LYS A 52 9.548 3.225 -3.836 1.00 0.00 C ATOM 784 NZ LYS A 52 9.611 4.627 -3.339 1.00 0.00 N ATOM 0 H LYS A 52 11.073 2.738 0.738 1.00 0.00 H new ATOM 0 HA LYS A 52 8.441 2.167 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.959 0.546 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.413 0.239 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.619 2.995 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.241 1.719 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.914 1.287 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.333 2.613 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.508 2.951 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.805 3.154 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.852 5.264 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.687 4.898 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.338 4.701 -2.599 1.00 0.00 H new ATOM 798 N PHE A 53 9.778 -0.023 2.245 1.00 0.00 N ATOM 799 CA PHE A 53 9.464 -1.098 3.178 1.00 0.00 C ATOM 800 C PHE A 53 8.224 -0.760 4.000 1.00 0.00 C ATOM 801 O PHE A 53 7.318 -1.581 4.146 1.00 0.00 O ATOM 802 CB PHE A 53 10.652 -1.358 4.108 1.00 0.00 C ATOM 803 CG PHE A 53 10.503 -2.601 4.937 1.00 0.00 C ATOM 804 CD1 PHE A 53 10.774 -3.848 4.395 1.00 0.00 C ATOM 805 CD2 PHE A 53 10.093 -2.524 6.258 1.00 0.00 C ATOM 806 CE1 PHE A 53 10.638 -4.993 5.156 1.00 0.00 C ATOM 807 CE2 PHE A 53 9.954 -3.667 7.024 1.00 0.00 C ATOM 808 CZ PHE A 53 10.228 -4.903 6.472 1.00 0.00 C ATOM 0 H PHE A 53 10.750 0.285 2.269 1.00 0.00 H new ATOM 0 HA PHE A 53 9.260 -1.999 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.560 -1.436 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.779 -0.502 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.095 -3.925 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.879 -1.560 6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.852 -5.958 4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.632 -3.593 8.052 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.122 -5.797 7.068 1.00 0.00 H new ATOM 818 N LYS A 54 8.191 0.455 4.537 1.00 0.00 N ATOM 819 CA LYS A 54 7.064 0.905 5.345 1.00 0.00 C ATOM 820 C LYS A 54 5.774 0.898 4.530 1.00 0.00 C ATOM 821 O LYS A 54 4.719 0.494 5.022 1.00 0.00 O ATOM 822 CB LYS A 54 7.328 2.311 5.889 1.00 0.00 C ATOM 823 CG LYS A 54 6.448 2.681 7.071 1.00 0.00 C ATOM 824 CD LYS A 54 6.764 4.075 7.585 1.00 0.00 C ATOM 825 CE LYS A 54 5.580 4.677 8.326 1.00 0.00 C ATOM 826 NZ LYS A 54 6.007 5.713 9.307 1.00 0.00 N ATOM 0 H LYS A 54 8.933 1.146 4.427 1.00 0.00 H new ATOM 0 HA LYS A 54 6.950 0.215 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.374 2.385 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.172 3.036 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.400 2.630 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.589 1.956 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.627 4.032 8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.037 4.719 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.889 5.120 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.037 3.887 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.171 6.099 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.646 5.285 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.503 6.480 8.809 1.00 0.00 H new ATOM 840 N LEU A 55 5.865 1.345 3.283 1.00 0.00 N ATOM 841 CA LEU A 55 4.706 1.389 2.399 1.00 0.00 C ATOM 842 C LEU A 55 4.187 -0.017 2.111 1.00 0.00 C ATOM 843 O LEU A 55 2.995 -0.291 2.252 1.00 0.00 O ATOM 844 CB LEU A 55 5.065 2.091 1.088 1.00 0.00 C ATOM 845 CG LEU A 55 4.939 3.615 1.087 1.00 0.00 C ATOM 846 CD1 LEU A 55 5.891 4.228 0.072 1.00 0.00 C ATOM 847 CD2 LEU A 55 3.504 4.031 0.794 1.00 0.00 C ATOM 0 H LEU A 55 6.730 1.682 2.861 1.00 0.00 H new ATOM 0 HA LEU A 55 3.919 1.952 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.091 1.831 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.427 1.693 0.299 1.00 0.00 H new ATOM 0 HG LEU A 55 5.209 3.984 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.788 5.313 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.916 3.958 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.653 3.853 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.433 5.119 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.207 3.651 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.843 3.622 1.558 1.00 0.00 H new ATOM 859 N VAL A 56 5.091 -0.904 1.709 1.00 0.00 N ATOM 860 CA VAL A 56 4.726 -2.283 1.404 1.00 0.00 C ATOM 861 C VAL A 56 3.998 -2.930 2.576 1.00 0.00 C ATOM 862 O VAL A 56 3.005 -3.635 2.391 1.00 0.00 O ATOM 863 CB VAL A 56 5.966 -3.128 1.054 1.00 0.00 C ATOM 864 CG1 VAL A 56 5.593 -4.597 0.929 1.00 0.00 C ATOM 865 CG2 VAL A 56 6.611 -2.622 -0.227 1.00 0.00 C ATOM 0 H VAL A 56 6.081 -0.693 1.587 1.00 0.00 H new ATOM 0 HA VAL A 56 4.062 -2.251 0.540 1.00 0.00 H new ATOM 0 HB VAL A 56 6.691 -3.030 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.481 -5.178 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.181 -4.949 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.849 -4.718 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.485 -3.230 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.895 -2.689 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.916 -1.584 -0.095 1.00 0.00 H new ATOM 875 N SER A 57 4.497 -2.686 3.784 1.00 0.00 N ATOM 876 CA SER A 57 3.895 -3.248 4.987 1.00 0.00 C ATOM 877 C SER A 57 2.565 -2.570 5.297 1.00 0.00 C ATOM 878 O SER A 57 1.557 -3.236 5.532 1.00 0.00 O ATOM 879 CB SER A 57 4.847 -3.098 6.176 1.00 0.00 C ATOM 880 OG SER A 57 4.183 -3.370 7.398 1.00 0.00 O ATOM 0 H SER A 57 5.316 -2.103 3.955 1.00 0.00 H new ATOM 0 HA SER A 57 3.709 -4.307 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.691 -3.777 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.252 -2.086 6.196 1.00 0.00 H new ATOM 0 HG SER A 57 4.813 -3.269 8.142 1.00 0.00 H new ATOM 886 N GLU A 58 2.571 -1.240 5.296 1.00 0.00 N ATOM 887 CA GLU A 58 1.365 -0.471 5.578 1.00 0.00 C ATOM 888 C GLU A 58 0.250 -0.829 4.599 1.00 0.00 C ATOM 889 O GLU A 58 -0.822 -1.280 5.000 1.00 0.00 O ATOM 890 CB GLU A 58 1.661 1.028 5.505 1.00 0.00 C ATOM 891 CG GLU A 58 0.567 1.894 6.108 1.00 0.00 C ATOM 892 CD GLU A 58 0.837 3.377 5.938 1.00 0.00 C ATOM 893 OE1 GLU A 58 0.497 3.923 4.868 1.00 0.00 O ATOM 894 OE2 GLU A 58 1.388 3.990 6.876 1.00 0.00 O ATOM 0 H GLU A 58 3.397 -0.674 5.103 1.00 0.00 H new ATOM 0 HA GLU A 58 1.033 -0.720 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.599 1.230 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.804 1.311 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.386 1.646 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.471 1.665 7.169 1.00 0.00 H new ATOM 901 N ALA A 59 0.512 -0.623 3.312 1.00 0.00 N ATOM 902 CA ALA A 59 -0.467 -0.925 2.275 1.00 0.00 C ATOM 903 C ALA A 59 -0.923 -2.378 2.357 1.00 0.00 C ATOM 904 O ALA A 59 -2.109 -2.675 2.209 1.00 0.00 O ATOM 905 CB ALA A 59 0.112 -0.628 0.900 1.00 0.00 C ATOM 0 H ALA A 59 1.394 -0.248 2.963 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.338 -0.289 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.630 -0.858 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.381 0.426 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.000 -1.239 0.739 1.00 0.00 H new ATOM 911 N TYR A 60 0.025 -3.278 2.592 1.00 0.00 N ATOM 912 CA TYR A 60 -0.280 -4.700 2.690 1.00 0.00 C ATOM 913 C TYR A 60 -1.450 -4.943 3.638 1.00 0.00 C ATOM 914 O TYR A 60 -2.321 -5.769 3.367 1.00 0.00 O ATOM 915 CB TYR A 60 0.949 -5.475 3.170 1.00 0.00 C ATOM 916 CG TYR A 60 0.622 -6.835 3.743 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.254 -7.693 3.090 1.00 0.00 C ATOM 918 CD2 TYR A 60 1.188 -7.262 4.938 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.557 -8.937 3.609 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.893 -8.505 5.464 1.00 0.00 C ATOM 921 CZ TYR A 60 0.020 -9.338 4.797 1.00 0.00 C ATOM 922 OH TYR A 60 -0.278 -10.576 5.318 1.00 0.00 O ATOM 0 H TYR A 60 1.011 -3.048 2.718 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.560 -5.054 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.639 -5.598 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.467 -4.886 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.706 -7.382 2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.870 -6.611 5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.241 -9.591 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.344 -8.822 6.393 1.00 0.00 H new ATOM 0 HH TYR A 60 0.212 -10.704 6.157 1.00 0.00 H new ATOM 932 N GLU A 61 -1.462 -4.216 4.751 1.00 0.00 N ATOM 933 CA GLU A 61 -2.525 -4.352 5.740 1.00 0.00 C ATOM 934 C GLU A 61 -3.800 -3.660 5.267 1.00 0.00 C ATOM 935 O GLU A 61 -4.902 -4.184 5.431 1.00 0.00 O ATOM 936 CB GLU A 61 -2.081 -3.766 7.082 1.00 0.00 C ATOM 937 CG GLU A 61 -0.835 -4.424 7.651 1.00 0.00 C ATOM 938 CD GLU A 61 -1.138 -5.727 8.366 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.295 -6.757 7.678 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.218 -5.716 9.612 1.00 0.00 O ATOM 0 H GLU A 61 -0.748 -3.528 4.990 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.735 -5.414 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.894 -2.699 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.895 -3.867 7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.128 -4.613 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.351 -3.737 8.345 1.00 0.00 H new ATOM 947 N VAL A 62 -3.642 -2.478 4.680 1.00 0.00 N ATOM 948 CA VAL A 62 -4.779 -1.713 4.182 1.00 0.00 C ATOM 949 C VAL A 62 -5.699 -2.585 3.335 1.00 0.00 C ATOM 950 O VAL A 62 -6.923 -2.465 3.405 1.00 0.00 O ATOM 951 CB VAL A 62 -4.320 -0.506 3.344 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.508 0.153 2.659 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.574 0.494 4.215 1.00 0.00 C ATOM 0 H VAL A 62 -2.737 -2.029 4.538 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.325 -1.353 5.054 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.638 -0.861 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.163 1.004 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.995 -0.568 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.218 0.496 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.257 1.341 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.231 0.845 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.699 0.014 4.653 1.00 0.00 H new ATOM 963 N LEU A 63 -5.103 -3.463 2.536 1.00 0.00 N ATOM 964 CA LEU A 63 -5.870 -4.357 1.675 1.00 0.00 C ATOM 965 C LEU A 63 -6.222 -5.648 2.406 1.00 0.00 C ATOM 966 O LEU A 63 -7.367 -6.099 2.374 1.00 0.00 O ATOM 967 CB LEU A 63 -5.078 -4.676 0.405 1.00 0.00 C ATOM 968 CG LEU A 63 -4.552 -3.473 -0.378 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.492 -3.909 -1.378 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.692 -2.757 -1.085 1.00 0.00 C ATOM 0 H LEU A 63 -4.092 -3.575 2.466 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.797 -3.852 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.231 -5.305 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.713 -5.265 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.094 -2.778 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.129 -3.039 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.662 -4.376 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.924 -4.624 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.299 -1.903 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.179 -3.444 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.416 -2.410 -0.348 1.00 0.00 H new ATOM 982 N SER A 64 -5.230 -6.238 3.067 1.00 0.00 N ATOM 983 CA SER A 64 -5.435 -7.478 3.805 1.00 0.00 C ATOM 984 C SER A 64 -6.681 -7.390 4.682 1.00 0.00 C ATOM 985 O SER A 64 -7.442 -8.350 4.796 1.00 0.00 O ATOM 986 CB SER A 64 -4.211 -7.790 4.669 1.00 0.00 C ATOM 987 OG SER A 64 -4.210 -9.145 5.083 1.00 0.00 O ATOM 0 H SER A 64 -4.277 -5.877 3.106 1.00 0.00 H new ATOM 0 HA SER A 64 -5.577 -8.282 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.302 -7.578 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.204 -7.139 5.544 1.00 0.00 H new ATOM 0 HG SER A 64 -3.417 -9.319 5.632 1.00 0.00 H new ATOM 993 N ASP A 65 -6.881 -6.230 5.298 1.00 0.00 N ATOM 994 CA ASP A 65 -8.035 -6.014 6.163 1.00 0.00 C ATOM 995 C ASP A 65 -9.275 -5.676 5.341 1.00 0.00 C ATOM 996 O ASP A 65 -9.199 -4.939 4.359 1.00 0.00 O ATOM 997 CB ASP A 65 -7.748 -4.891 7.161 1.00 0.00 C ATOM 998 CG ASP A 65 -7.044 -5.390 8.407 1.00 0.00 C ATOM 999 OD1 ASP A 65 -5.810 -5.579 8.357 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -7.726 -5.590 9.434 1.00 0.00 O ATOM 0 H ASP A 65 -6.260 -5.425 5.215 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.225 -6.937 6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.134 -4.130 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.685 -4.412 7.444 1.00 0.00 H new ATOM 1005 N SER A 66 -10.416 -6.221 5.750 1.00 0.00 N ATOM 1006 CA SER A 66 -11.672 -5.982 5.049 1.00 0.00 C ATOM 1007 C SER A 66 -12.159 -4.554 5.278 1.00 0.00 C ATOM 1008 O SER A 66 -12.568 -3.867 4.342 1.00 0.00 O ATOM 1009 CB SER A 66 -12.738 -6.977 5.514 1.00 0.00 C ATOM 1010 OG SER A 66 -13.992 -6.697 4.916 1.00 0.00 O ATOM 0 H SER A 66 -10.497 -6.831 6.563 1.00 0.00 H new ATOM 0 HA SER A 66 -11.496 -6.121 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.429 -7.991 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.831 -6.934 6.599 1.00 0.00 H new ATOM 0 HG SER A 66 -14.656 -7.347 5.228 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.111 -4.114 6.531 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.545 -2.768 6.886 1.00 0.00 C ATOM 1018 C LYS A 67 -11.683 -1.717 6.193 1.00 0.00 C ATOM 1019 O LYS A 67 -12.196 -0.742 5.643 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.483 -2.573 8.403 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.097 -2.783 8.987 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.066 -2.476 10.475 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.093 -0.978 10.736 1.00 0.00 C ATOM 1024 NZ LYS A 67 -9.782 -0.339 10.432 1.00 0.00 N ATOM 0 H LYS A 67 -11.776 -4.670 7.318 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.575 -2.646 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.821 -1.566 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.177 -3.266 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.784 -3.814 8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.382 -2.145 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.920 -2.947 10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.168 -2.907 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.871 -0.517 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.353 -0.795 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.407 0.111 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.112 -1.062 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.910 0.381 9.692 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.371 -1.923 6.221 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.437 -0.996 5.592 1.00 0.00 C ATOM 1040 C LYS A 68 -9.559 -1.047 4.073 1.00 0.00 C ATOM 1041 O LYS A 68 -9.622 -0.011 3.411 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.002 -1.324 6.011 1.00 0.00 C ATOM 1043 CG LYS A 68 -7.575 -0.647 7.302 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.271 -1.223 7.828 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.517 -2.392 8.769 1.00 0.00 C ATOM 1046 NZ LYS A 68 -6.653 -1.947 10.184 1.00 0.00 N ATOM 0 H LYS A 68 -9.930 -2.724 6.673 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.685 0.012 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.904 -2.403 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.322 -1.026 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.459 0.423 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.356 -0.767 8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.654 -1.551 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.713 -0.446 8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.422 -2.918 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.694 -3.102 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.230 -2.634 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.711 -1.881 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.114 -1.015 10.212 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.593 -2.258 3.527 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.708 -2.443 2.085 1.00 0.00 C ATOM 1062 C ARG A 69 -10.979 -1.788 1.553 1.00 0.00 C ATOM 1063 O ARG A 69 -10.929 -0.963 0.640 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.706 -3.933 1.739 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.574 -4.212 0.251 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.443 -5.702 -0.027 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.648 -5.967 -1.223 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.752 -7.078 -1.943 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.614 -8.022 -1.591 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -7.994 -7.247 -3.019 1.00 0.00 N ATOM 0 H ARG A 69 -9.543 -3.126 4.061 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.849 -1.966 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.884 -4.419 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.629 -4.383 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.445 -3.818 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.702 -3.689 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.982 -6.192 0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.435 -6.137 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.976 -5.260 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.199 -7.896 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.692 -8.874 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.330 -6.523 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.075 -8.101 -3.571 1.00 0.00 H new ATOM 1084 N SER A 70 -12.117 -2.162 2.129 1.00 0.00 N ATOM 1085 CA SER A 70 -13.402 -1.614 1.709 1.00 0.00 C ATOM 1086 C SER A 70 -13.421 -0.096 1.859 1.00 0.00 C ATOM 1087 O SER A 70 -13.725 0.630 0.912 1.00 0.00 O ATOM 1088 CB SER A 70 -14.536 -2.233 2.529 1.00 0.00 C ATOM 1089 OG SER A 70 -15.798 -1.947 1.951 1.00 0.00 O ATOM 0 H SER A 70 -12.176 -2.842 2.887 1.00 0.00 H new ATOM 0 HA SER A 70 -13.547 -1.859 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.397 -3.312 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.504 -1.848 3.548 1.00 0.00 H new ATOM 0 HG SER A 70 -16.506 -2.355 2.492 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.093 0.378 3.056 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.071 1.810 3.332 1.00 0.00 C ATOM 1097 C LEU A 71 -12.186 2.545 2.330 1.00 0.00 C ATOM 1098 O LEU A 71 -12.574 3.578 1.785 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.571 2.068 4.755 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.627 1.998 5.859 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.965 1.971 7.229 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.588 3.173 5.753 1.00 0.00 C ATOM 0 H LEU A 71 -12.839 -0.208 3.851 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.089 2.188 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.789 1.343 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.109 3.055 4.783 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.196 1.077 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.731 1.921 8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.317 1.097 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.371 2.875 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.333 3.107 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.034 4.106 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.087 3.149 4.784 1.00 0.00 H new ATOM 1114 N TYR A 72 -10.998 2.003 2.089 1.00 0.00 N ATOM 1115 CA TYR A 72 -10.058 2.606 1.152 1.00 0.00 C ATOM 1116 C TYR A 72 -10.758 2.997 -0.146 1.00 0.00 C ATOM 1117 O TYR A 72 -10.766 4.166 -0.532 1.00 0.00 O ATOM 1118 CB TYR A 72 -8.910 1.640 0.855 1.00 0.00 C ATOM 1119 CG TYR A 72 -7.974 2.126 -0.229 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -7.426 3.402 -0.179 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -7.638 1.309 -1.301 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -6.571 3.850 -1.168 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -6.783 1.749 -2.293 1.00 0.00 C ATOM 1124 CZ TYR A 72 -6.253 3.020 -2.222 1.00 0.00 C ATOM 1125 OH TYR A 72 -5.401 3.463 -3.208 1.00 0.00 O ATOM 0 H TYR A 72 -10.663 1.146 2.530 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.654 3.508 1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.339 1.475 1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.325 0.676 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.672 4.054 0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.052 0.313 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.154 4.845 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.531 1.101 -3.120 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.279 2.757 -3.877 1.00 0.00 H new ATOM 1135 N ASP A 73 -11.345 2.010 -0.813 1.00 0.00 N ATOM 1136 CA ASP A 73 -12.050 2.249 -2.067 1.00 0.00 C ATOM 1137 C ASP A 73 -12.972 3.459 -1.951 1.00 0.00 C ATOM 1138 O ASP A 73 -13.044 4.287 -2.860 1.00 0.00 O ATOM 1139 CB ASP A 73 -12.858 1.014 -2.466 1.00 0.00 C ATOM 1140 CG ASP A 73 -13.739 1.263 -3.675 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -13.216 1.746 -4.701 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -14.952 0.976 -3.594 1.00 0.00 O ATOM 0 H ASP A 73 -11.347 1.037 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.308 2.453 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.176 0.191 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.479 0.703 -1.626 1.00 0.00 H new ATOM 1147 N ARG A 74 -13.674 3.555 -0.827 1.00 0.00 N ATOM 1148 CA ARG A 74 -14.593 4.663 -0.593 1.00 0.00 C ATOM 1149 C ARG A 74 -13.832 5.974 -0.425 1.00 0.00 C ATOM 1150 O ARG A 74 -14.203 6.997 -1.000 1.00 0.00 O ATOM 1151 CB ARG A 74 -15.445 4.392 0.649 1.00 0.00 C ATOM 1152 CG ARG A 74 -16.180 3.063 0.606 1.00 0.00 C ATOM 1153 CD ARG A 74 -17.330 3.029 1.600 1.00 0.00 C ATOM 1154 NE ARG A 74 -18.355 4.021 1.285 1.00 0.00 N ATOM 1155 CZ ARG A 74 -19.193 4.524 2.185 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -19.126 4.131 3.450 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -20.098 5.423 1.821 1.00 0.00 N ATOM 0 H ARG A 74 -13.624 2.880 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.246 4.751 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.804 4.415 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.172 5.196 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.562 2.890 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.484 2.254 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.777 2.035 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.947 3.210 2.604 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.432 4.345 0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.430 3.441 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.770 4.519 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.151 5.729 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.741 5.808 2.513 1.00 0.00 H new ATOM 1171 N ALA A 75 -12.766 5.936 0.368 1.00 0.00 N ATOM 1172 CA ALA A 75 -11.952 7.121 0.610 1.00 0.00 C ATOM 1173 C ALA A 75 -11.560 7.795 -0.700 1.00 0.00 C ATOM 1174 O ALA A 75 -11.466 9.020 -0.776 1.00 0.00 O ATOM 1175 CB ALA A 75 -10.710 6.754 1.409 1.00 0.00 C ATOM 0 H ALA A 75 -12.446 5.098 0.853 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.547 7.828 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.111 7.648 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.007 6.325 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.121 6.026 0.852 1.00 0.00 H new ATOM 1181 N GLY A 76 -11.331 6.987 -1.731 1.00 0.00 N ATOM 1182 CA GLY A 76 -10.950 7.524 -3.024 1.00 0.00 C ATOM 1183 C GLY A 76 -12.145 7.991 -3.832 1.00 0.00 C ATOM 1184 O GLY A 76 -12.100 8.013 -5.063 1.00 0.00 O ATOM 0 H GLY A 76 -11.403 5.970 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.264 8.359 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.411 6.762 -3.586 1.00 0.00 H new ATOM 1188 N CYS A 77 -13.215 8.365 -3.140 1.00 0.00 N ATOM 1189 CA CYS A 77 -14.429 8.831 -3.802 1.00 0.00 C ATOM 1190 C CYS A 77 -14.821 7.896 -4.941 1.00 0.00 C ATOM 1191 O CYS A 77 -15.382 8.329 -5.948 1.00 0.00 O ATOM 1192 CB CYS A 77 -14.230 10.250 -4.336 1.00 0.00 C ATOM 1193 SG CYS A 77 -13.371 10.327 -5.926 1.00 0.00 S ATOM 0 H CYS A 77 -13.267 8.355 -2.121 1.00 0.00 H new ATOM 0 HA CYS A 77 -15.235 8.836 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -15.204 10.728 -4.438 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -13.667 10.827 -3.603 1.00 0.00 H new ATOM 0 HG CYS A 77 -12.532 9.338 -6.014 1.00 0.00 H new ATOM 1199 N ASP A 78 -14.520 6.613 -4.776 1.00 0.00 N ATOM 1200 CA ASP A 78 -14.840 5.615 -5.791 1.00 0.00 C ATOM 1201 C ASP A 78 -16.150 5.958 -6.495 1.00 0.00 C ATOM 1202 O ASP A 78 -16.262 5.830 -7.714 1.00 0.00 O ATOM 1203 CB ASP A 78 -14.935 4.226 -5.159 1.00 0.00 C ATOM 1204 CG ASP A 78 -15.651 4.245 -3.823 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -16.354 5.238 -3.540 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -15.510 3.266 -3.060 1.00 0.00 O ATOM 0 H ASP A 78 -14.055 6.239 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.039 5.615 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.460 3.556 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.932 3.822 -5.024 1.00 0.00 H new ATOM 1211 N SER A 79 -17.137 6.393 -5.719 1.00 0.00 N ATOM 1212 CA SER A 79 -18.440 6.749 -6.267 1.00 0.00 C ATOM 1213 C SER A 79 -18.567 8.261 -6.430 1.00 0.00 C ATOM 1214 O SER A 79 -18.276 9.021 -5.506 1.00 0.00 O ATOM 1215 CB SER A 79 -19.558 6.227 -5.362 1.00 0.00 C ATOM 1216 OG SER A 79 -20.830 6.440 -5.948 1.00 0.00 O ATOM 0 H SER A 79 -17.059 6.507 -4.708 1.00 0.00 H new ATOM 0 HA SER A 79 -18.531 6.286 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.413 5.163 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.511 6.728 -4.395 1.00 0.00 H new ATOM 0 HG SER A 79 -21.527 6.096 -5.351 1.00 0.00 H new ATOM 1222 N TRP A 80 -19.002 8.688 -7.609 1.00 0.00 N ATOM 1223 CA TRP A 80 -19.167 10.109 -7.894 1.00 0.00 C ATOM 1224 C TRP A 80 -19.740 10.843 -6.686 1.00 0.00 C ATOM 1225 O TRP A 80 -19.149 11.805 -6.196 1.00 0.00 O ATOM 1226 CB TRP A 80 -20.080 10.304 -9.105 1.00 0.00 C ATOM 1227 CG TRP A 80 -19.339 10.340 -10.408 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -19.348 9.383 -11.382 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -18.480 11.384 -10.877 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -18.546 9.769 -12.428 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -18.002 10.994 -12.143 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -18.069 12.612 -10.351 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -17.134 11.788 -12.888 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -17.207 13.399 -11.092 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -16.748 12.985 -12.349 1.00 0.00 C ATOM 0 H TRP A 80 -19.247 8.071 -8.384 1.00 0.00 H new ATOM 0 HA TRP A 80 -18.185 10.526 -8.117 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -20.811 9.496 -9.133 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -20.636 11.234 -8.986 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -19.904 8.458 -11.337 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -18.382 9.231 -13.279 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -18.418 12.940 -9.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -16.778 11.470 -13.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -16.882 14.349 -10.695 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -16.076 13.623 -12.904 1.00 0.00 H new ATOM 1246 N ARG A 81 -20.893 10.383 -6.212 1.00 0.00 N ATOM 1247 CA ARG A 81 -21.545 10.998 -5.062 1.00 0.00 C ATOM 1248 C ARG A 81 -21.709 9.990 -3.927 1.00 0.00 C ATOM 1249 O ARG A 81 -22.312 8.933 -4.106 1.00 0.00 O ATOM 1250 CB ARG A 81 -22.911 11.558 -5.462 1.00 0.00 C ATOM 1251 CG ARG A 81 -23.866 10.506 -6.002 1.00 0.00 C ATOM 1252 CD ARG A 81 -25.195 11.119 -6.415 1.00 0.00 C ATOM 1253 NE ARG A 81 -26.275 10.137 -6.414 1.00 0.00 N ATOM 1254 CZ ARG A 81 -27.378 10.257 -7.144 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -27.546 11.312 -7.929 1.00 0.00 N ATOM 1256 NH2 ARG A 81 -28.317 9.320 -7.090 1.00 0.00 N ATOM 0 H ARG A 81 -21.395 9.587 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 81 -20.914 11.815 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -23.365 12.038 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -22.770 12.331 -6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -23.413 10.007 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -24.036 9.743 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -25.445 11.933 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -25.100 11.552 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 81 -26.177 9.314 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -26.827 12.034 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.394 11.401 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -28.192 8.507 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -29.164 9.413 -7.651 1.00 0.00 H new ATOM 1270 N ALA A 82 -21.168 10.327 -2.761 1.00 0.00 N ATOM 1271 CA ALA A 82 -21.256 9.453 -1.598 1.00 0.00 C ATOM 1272 C ALA A 82 -21.999 10.135 -0.454 1.00 0.00 C ATOM 1273 O ALA A 82 -21.633 11.228 -0.027 1.00 0.00 O ATOM 1274 CB ALA A 82 -19.864 9.032 -1.148 1.00 0.00 C ATOM 0 H ALA A 82 -20.664 11.199 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 82 -21.819 8.564 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -19.944 8.380 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -19.366 8.498 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -19.284 9.916 -0.885 1.00 0.00 H new ATOM 1280 N GLY A 83 -23.048 9.480 0.037 1.00 0.00 N ATOM 1281 CA GLY A 83 -23.827 10.039 1.126 1.00 0.00 C ATOM 1282 C GLY A 83 -25.312 10.067 0.822 1.00 0.00 C ATOM 1283 O GLY A 83 -26.037 9.129 1.150 1.00 0.00 O ATOM 0 H GLY A 83 -23.371 8.573 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -23.655 9.454 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -23.482 11.052 1.332 1.00 0.00 H new ATOM 1287 N GLY A 84 -25.766 11.147 0.193 1.00 0.00 N ATOM 1288 CA GLY A 84 -27.172 11.274 -0.143 1.00 0.00 C ATOM 1289 C GLY A 84 -27.561 10.426 -1.337 1.00 0.00 C ATOM 1290 O GLY A 84 -27.475 10.874 -2.480 1.00 0.00 O ATOM 0 H GLY A 84 -25.185 11.936 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -27.776 10.984 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -27.399 12.319 -0.354 1.00 0.00 H new ATOM 1294 N GLY A 85 -27.990 9.195 -1.074 1.00 0.00 N ATOM 1295 CA GLY A 85 -28.385 8.302 -2.146 1.00 0.00 C ATOM 1296 C GLY A 85 -29.288 7.183 -1.666 1.00 0.00 C ATOM 1297 O GLY A 85 -30.386 7.432 -1.170 1.00 0.00 O ATOM 0 H GLY A 85 -28.071 8.801 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -28.899 8.873 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -27.494 7.874 -2.605 1.00 0.00 H new ATOM 1301 N ALA A 86 -28.825 5.946 -1.815 1.00 0.00 N ATOM 1302 CA ALA A 86 -29.598 4.785 -1.392 1.00 0.00 C ATOM 1303 C ALA A 86 -28.740 3.820 -0.581 1.00 0.00 C ATOM 1304 O ALA A 86 -27.512 3.861 -0.647 1.00 0.00 O ATOM 1305 CB ALA A 86 -30.193 4.078 -2.601 1.00 0.00 C ATOM 0 H ALA A 86 -27.918 5.722 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 86 -30.410 5.133 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -30.768 3.213 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -30.847 4.764 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -29.391 3.750 -3.262 1.00 0.00 H new ATOM 1311 N SER A 87 -29.395 2.952 0.184 1.00 0.00 N ATOM 1312 CA SER A 87 -28.692 1.979 1.011 1.00 0.00 C ATOM 1313 C SER A 87 -29.060 0.555 0.607 1.00 0.00 C ATOM 1314 O SER A 87 -30.152 0.305 0.099 1.00 0.00 O ATOM 1315 CB SER A 87 -29.020 2.203 2.489 1.00 0.00 C ATOM 1316 OG SER A 87 -28.787 3.549 2.865 1.00 0.00 O ATOM 0 H SER A 87 -30.412 2.903 0.248 1.00 0.00 H new ATOM 0 HA SER A 87 -27.621 2.116 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 87 -30.062 1.945 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 87 -28.412 1.540 3.104 1.00 0.00 H new ATOM 0 HG SER A 87 -29.006 3.666 3.813 1.00 0.00 H new ATOM 1322 N GLY A 88 -28.139 -0.376 0.837 1.00 0.00 N ATOM 1323 CA GLY A 88 -28.384 -1.764 0.491 1.00 0.00 C ATOM 1324 C GLY A 88 -28.005 -2.715 1.609 1.00 0.00 C ATOM 1325 O GLY A 88 -26.857 -3.142 1.727 1.00 0.00 O ATOM 0 H GLY A 88 -27.227 -0.194 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -29.439 -1.894 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -27.818 -2.017 -0.405 1.00 0.00 H new ATOM 1329 N PRO A 89 -28.987 -3.061 2.455 1.00 0.00 N ATOM 1330 CA PRO A 89 -28.774 -3.971 3.585 1.00 0.00 C ATOM 1331 C PRO A 89 -28.525 -5.406 3.134 1.00 0.00 C ATOM 1332 O PRO A 89 -29.452 -6.112 2.737 1.00 0.00 O ATOM 1333 CB PRO A 89 -30.086 -3.877 4.368 1.00 0.00 C ATOM 1334 CG PRO A 89 -31.102 -3.470 3.357 1.00 0.00 C ATOM 1335 CD PRO A 89 -30.380 -2.590 2.375 1.00 0.00 C ATOM 0 HA PRO A 89 -27.894 -3.699 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -30.343 -4.832 4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -30.015 -3.147 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -31.529 -4.341 2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -31.927 -2.935 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -30.783 -2.697 1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -30.464 -1.537 2.642 1.00 0.00 H new ATOM 1343 N SER A 90 -27.267 -5.831 3.197 1.00 0.00 N ATOM 1344 CA SER A 90 -26.895 -7.182 2.792 1.00 0.00 C ATOM 1345 C SER A 90 -27.404 -7.487 1.386 1.00 0.00 C ATOM 1346 O SER A 90 -27.840 -8.601 1.100 1.00 0.00 O ATOM 1347 CB SER A 90 -27.454 -8.206 3.782 1.00 0.00 C ATOM 1348 OG SER A 90 -28.767 -8.598 3.423 1.00 0.00 O ATOM 0 H SER A 90 -26.488 -5.259 3.525 1.00 0.00 H new ATOM 0 HA SER A 90 -25.807 -7.247 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.805 -9.081 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.460 -7.781 4.786 1.00 0.00 H new ATOM 0 HG SER A 90 -29.324 -7.801 3.299 1.00 0.00 H new ATOM 1354 N SER A 91 -27.343 -6.487 0.513 1.00 0.00 N ATOM 1355 CA SER A 91 -27.801 -6.645 -0.863 1.00 0.00 C ATOM 1356 C SER A 91 -26.721 -7.295 -1.723 1.00 0.00 C ATOM 1357 O SER A 91 -25.551 -6.923 -1.656 1.00 0.00 O ATOM 1358 CB SER A 91 -28.191 -5.288 -1.453 1.00 0.00 C ATOM 1359 OG SER A 91 -27.093 -4.392 -1.438 1.00 0.00 O ATOM 0 H SER A 91 -26.981 -5.559 0.733 1.00 0.00 H new ATOM 0 HA SER A 91 -28.676 -7.295 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 91 -28.543 -5.420 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 91 -29.018 -4.864 -0.884 1.00 0.00 H new ATOM 0 HG SER A 91 -27.315 -3.594 -1.961 1.00 0.00 H new ATOM 1365 N GLY A 92 -27.125 -8.270 -2.532 1.00 0.00 N ATOM 1366 CA GLY A 92 -26.181 -8.957 -3.394 1.00 0.00 C ATOM 1367 C GLY A 92 -25.767 -8.118 -4.586 1.00 0.00 C ATOM 1368 O GLY A 92 -25.942 -8.529 -5.734 1.00 0.00 O ATOM 0 H GLY A 92 -28.089 -8.596 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -25.296 -9.225 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -26.626 -9.888 -3.746 1.00 0.00 H new TER 1372 GLY A 92