USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 93 GLN :FLIP amide:sc= -0.307 F(o=-5.7!,f=0.011) USER MOD Set 1.2: A 97 THR OG1 : rot 118:sc= 0.319 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -160:sc= -1.47 (180deg=-0.205) USER MOD Set 2.2: A 19 LYS NZ :NH3+ 173:sc= -1.71 (180deg=-1.56!) USER MOD Single : A 6 ASN :FLIP amide:sc= -3.48! C(o=-6.7!,f=-3.5!) USER MOD Single : A 9 THR OG1 : rot 69:sc= 0.342 USER MOD Single : A 11 ASN : amide:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 13 ASN : amide:sc= -4.28 K(o=-4.3,f=-7.9!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.43! C(o=-6.6!,f=-4.4!) USER MOD Single : A 25 GLN : amide:sc= 0.488 K(o=0.49,f=-0.85) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 53:sc= 0.687 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -4.91! C(o=-10!,f=-4.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -137:sc= -2.72! (180deg=-5.29!) USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= -0.645 (180deg=-4.11!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0731 (180deg=-0.51) USER MOD Single : A 63 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-6.8!) USER MOD Single : A 71 GLN : amide:sc= -10.7! C(o=-11!,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.245 F(o=-4.5!,f=-0.25) USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= -0.271 (180deg=-1.32!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 75:sc= 0.0366 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -2.11! C(o=-3.1!,f=-2.1!) USER MOD Single : A 103 GLN :FLIP amide:sc= -5.07! C(o=-9.7!,f=-5.1!) USER MOD Single : A 104 LYS NZ :NH3+ 140:sc= 0.151 (180deg=-0.411) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 11.598 4.919 10.888 1.00 0.00 N ATOM 14 CA ASP A 2 10.391 4.043 10.834 1.00 0.00 C ATOM 15 C ASP A 2 9.645 4.289 9.530 1.00 0.00 C ATOM 16 O ASP A 2 8.799 3.516 9.126 1.00 0.00 O ATOM 17 CB ASP A 2 9.464 4.424 11.989 1.00 0.00 C ATOM 18 CG ASP A 2 9.903 3.711 13.272 1.00 0.00 C ATOM 19 OD1 ASP A 2 11.055 3.863 13.646 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.081 3.025 13.857 1.00 0.00 O ATOM 0 HA ASP A 2 10.692 2.998 10.902 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.482 5.503 12.139 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.437 4.153 11.746 1.00 0.00 H new ATOM 25 N LEU A 3 9.941 5.371 8.882 1.00 0.00 N ATOM 26 CA LEU A 3 9.240 5.697 7.611 1.00 0.00 C ATOM 27 C LEU A 3 9.985 5.056 6.445 1.00 0.00 C ATOM 28 O LEU A 3 9.414 4.347 5.645 1.00 0.00 O ATOM 29 CB LEU A 3 9.201 7.215 7.418 1.00 0.00 C ATOM 30 CG LEU A 3 8.560 7.882 8.640 1.00 0.00 C ATOM 31 CD1 LEU A 3 8.526 9.396 8.419 1.00 0.00 C ATOM 32 CD2 LEU A 3 7.127 7.359 8.838 1.00 0.00 C ATOM 0 H LEU A 3 10.642 6.051 9.176 1.00 0.00 H new ATOM 0 HA LEU A 3 8.221 5.313 7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.211 7.598 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.635 7.461 6.520 1.00 0.00 H new ATOM 0 HG LEU A 3 9.146 7.648 9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.071 9.880 9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.542 9.767 8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.940 9.621 7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.681 7.840 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.531 7.586 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.151 6.280 8.992 1.00 0.00 H new ATOM 44 N GLU A 4 11.262 5.286 6.357 1.00 0.00 N ATOM 45 CA GLU A 4 12.046 4.675 5.258 1.00 0.00 C ATOM 46 C GLU A 4 12.005 3.178 5.460 1.00 0.00 C ATOM 47 O GLU A 4 12.147 2.393 4.538 1.00 0.00 O ATOM 48 CB GLU A 4 13.492 5.157 5.333 1.00 0.00 C ATOM 49 CG GLU A 4 13.511 6.679 5.467 1.00 0.00 C ATOM 50 CD GLU A 4 12.809 7.303 4.259 1.00 0.00 C ATOM 51 OE1 GLU A 4 13.466 7.489 3.248 1.00 0.00 O ATOM 52 OE2 GLU A 4 11.625 7.577 4.364 1.00 0.00 O ATOM 0 H GLU A 4 11.795 5.871 7.000 1.00 0.00 H new ATOM 0 HA GLU A 4 11.635 4.951 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.996 4.699 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.036 4.852 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.012 6.981 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.539 7.037 5.530 1.00 0.00 H new ATOM 59 N ASP A 5 11.805 2.780 6.677 1.00 0.00 N ATOM 60 CA ASP A 5 11.751 1.336 6.972 1.00 0.00 C ATOM 61 C ASP A 5 10.425 0.776 6.446 1.00 0.00 C ATOM 62 O ASP A 5 10.375 -0.281 5.850 1.00 0.00 O ATOM 63 CB ASP A 5 11.849 1.172 8.487 1.00 0.00 C ATOM 64 CG ASP A 5 11.350 -0.210 8.922 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.768 -1.184 8.319 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.560 -0.269 9.850 1.00 0.00 O ATOM 0 H ASP A 5 11.677 3.395 7.480 1.00 0.00 H new ATOM 0 HA ASP A 5 12.567 0.795 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.883 1.306 8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.261 1.947 8.979 1.00 0.00 H new ATOM 71 N ASN A 6 9.350 1.485 6.669 1.00 0.00 N ATOM 72 CA ASN A 6 8.029 1.006 6.192 1.00 0.00 C ATOM 73 C ASN A 6 8.108 0.812 4.670 1.00 0.00 C ATOM 74 O ASN A 6 7.579 -0.133 4.123 1.00 0.00 O ATOM 75 CB ASN A 6 6.951 2.048 6.583 1.00 0.00 C ATOM 76 CG ASN A 6 5.897 2.205 5.479 1.00 0.00 C ATOM 77 OD1 ASN A 6 6.268 2.675 4.323 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 4.740 1.890 5.671 1.00 0.00 N flip ATOM 0 H ASN A 6 9.335 2.377 7.163 1.00 0.00 H new ATOM 0 HA ASN A 6 7.760 0.054 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.466 1.742 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.426 3.010 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.455 1.522 6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.053 1.993 4.924 1.00 0.00 H new ATOM 85 N TRP A 7 8.757 1.713 3.984 1.00 0.00 N ATOM 86 CA TRP A 7 8.855 1.586 2.501 1.00 0.00 C ATOM 87 C TRP A 7 9.386 0.196 2.163 1.00 0.00 C ATOM 88 O TRP A 7 8.787 -0.533 1.397 1.00 0.00 O ATOM 89 CB TRP A 7 9.810 2.662 1.945 1.00 0.00 C ATOM 90 CG TRP A 7 9.098 3.973 1.751 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.352 4.613 2.682 1.00 0.00 C ATOM 92 CD2 TRP A 7 9.079 4.823 0.566 1.00 0.00 C ATOM 93 NE1 TRP A 7 7.872 5.793 2.143 1.00 0.00 N ATOM 94 CE2 TRP A 7 8.293 5.968 0.842 1.00 0.00 C ATOM 95 CE3 TRP A 7 9.658 4.709 -0.709 1.00 0.00 C ATOM 96 CZ2 TRP A 7 8.093 6.964 -0.112 1.00 0.00 C ATOM 97 CZ3 TRP A 7 9.458 5.710 -1.673 1.00 0.00 C ATOM 98 CH2 TRP A 7 8.678 6.836 -1.375 1.00 0.00 C ATOM 0 H TRP A 7 9.222 2.528 4.384 1.00 0.00 H new ATOM 0 HA TRP A 7 7.872 1.726 2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.647 2.798 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.226 2.327 0.995 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.162 4.259 3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.279 6.453 2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.261 3.846 -0.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.490 7.829 0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.908 5.612 -2.650 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.529 7.603 -2.120 1.00 0.00 H new ATOM 109 N GLU A 8 10.492 -0.193 2.730 1.00 0.00 N ATOM 110 CA GLU A 8 11.018 -1.536 2.430 1.00 0.00 C ATOM 111 C GLU A 8 9.966 -2.568 2.833 1.00 0.00 C ATOM 112 O GLU A 8 9.855 -3.622 2.239 1.00 0.00 O ATOM 113 CB GLU A 8 12.299 -1.768 3.228 1.00 0.00 C ATOM 114 CG GLU A 8 12.972 -3.041 2.730 1.00 0.00 C ATOM 115 CD GLU A 8 14.026 -3.500 3.739 1.00 0.00 C ATOM 116 OE1 GLU A 8 14.381 -2.708 4.596 1.00 0.00 O ATOM 117 OE2 GLU A 8 14.459 -4.636 3.639 1.00 0.00 O ATOM 0 H GLU A 8 11.046 0.362 3.383 1.00 0.00 H new ATOM 0 HA GLU A 8 11.240 -1.626 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.972 -0.918 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.070 -1.854 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.228 -3.824 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.437 -2.862 1.761 1.00 0.00 H new ATOM 124 N THR A 9 9.186 -2.269 3.838 1.00 0.00 N ATOM 125 CA THR A 9 8.141 -3.236 4.265 1.00 0.00 C ATOM 126 C THR A 9 7.084 -3.329 3.174 1.00 0.00 C ATOM 127 O THR A 9 6.791 -4.396 2.672 1.00 0.00 O ATOM 128 CB THR A 9 7.498 -2.778 5.579 1.00 0.00 C ATOM 129 OG1 THR A 9 8.515 -2.393 6.493 1.00 0.00 O ATOM 130 CG2 THR A 9 6.678 -3.923 6.175 1.00 0.00 C ATOM 0 H THR A 9 9.229 -1.403 4.376 1.00 0.00 H new ATOM 0 HA THR A 9 8.594 -4.214 4.427 1.00 0.00 H new ATOM 0 HB THR A 9 6.843 -1.929 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.943 -1.569 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.222 -3.596 7.109 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.897 -4.216 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.330 -4.775 6.369 1.00 0.00 H new ATOM 138 N LEU A 10 6.527 -2.221 2.777 1.00 0.00 N ATOM 139 CA LEU A 10 5.513 -2.269 1.690 1.00 0.00 C ATOM 140 C LEU A 10 6.185 -2.895 0.473 1.00 0.00 C ATOM 141 O LEU A 10 5.590 -3.647 -0.274 1.00 0.00 O ATOM 142 CB LEU A 10 5.036 -0.855 1.323 1.00 0.00 C ATOM 143 CG LEU A 10 4.612 -0.055 2.567 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.761 1.141 2.131 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.791 -0.935 3.511 1.00 0.00 C ATOM 0 H LEU A 10 6.727 -1.294 3.153 1.00 0.00 H new ATOM 0 HA LEU A 10 4.648 -2.846 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.835 -0.325 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.197 -0.923 0.631 1.00 0.00 H new ATOM 0 HG LEU A 10 5.506 0.289 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.458 1.711 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.344 1.779 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.875 0.785 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.498 -0.355 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.898 -1.288 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.390 -1.789 3.825 1.00 0.00 H new ATOM 157 N ASN A 11 7.435 -2.582 0.268 1.00 0.00 N ATOM 158 CA ASN A 11 8.163 -3.163 -0.896 1.00 0.00 C ATOM 159 C ASN A 11 8.384 -4.665 -0.674 1.00 0.00 C ATOM 160 O ASN A 11 7.925 -5.492 -1.437 1.00 0.00 O ATOM 161 CB ASN A 11 9.511 -2.451 -1.080 1.00 0.00 C ATOM 162 CG ASN A 11 10.004 -2.659 -2.517 1.00 0.00 C ATOM 163 OD1 ASN A 11 11.034 -3.265 -2.736 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.308 -2.171 -3.514 1.00 0.00 N ATOM 0 H ASN A 11 7.982 -1.951 0.854 1.00 0.00 H new ATOM 0 HA ASN A 11 7.566 -3.023 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.404 -1.387 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.242 -2.843 -0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.631 -2.300 -4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.443 -1.662 -3.331 1.00 0.00 H new ATOM 171 N ASP A 12 9.092 -5.019 0.368 1.00 0.00 N ATOM 172 CA ASP A 12 9.358 -6.462 0.648 1.00 0.00 C ATOM 173 C ASP A 12 8.028 -7.215 0.737 1.00 0.00 C ATOM 174 O ASP A 12 7.981 -8.430 0.673 1.00 0.00 O ATOM 175 CB ASP A 12 10.129 -6.583 1.972 1.00 0.00 C ATOM 176 CG ASP A 12 10.138 -8.039 2.450 1.00 0.00 C ATOM 177 OD1 ASP A 12 10.838 -8.836 1.847 1.00 0.00 O ATOM 178 OD2 ASP A 12 9.448 -8.329 3.413 1.00 0.00 O ATOM 0 H ASP A 12 9.499 -4.368 1.039 1.00 0.00 H new ATOM 0 HA ASP A 12 9.955 -6.895 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.152 -6.230 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.669 -5.947 2.728 1.00 0.00 H new ATOM 183 N ASN A 13 6.944 -6.506 0.861 1.00 0.00 N ATOM 184 CA ASN A 13 5.629 -7.176 0.935 1.00 0.00 C ATOM 185 C ASN A 13 5.275 -7.662 -0.476 1.00 0.00 C ATOM 186 O ASN A 13 4.988 -8.814 -0.696 1.00 0.00 O ATOM 187 CB ASN A 13 4.573 -6.146 1.396 1.00 0.00 C ATOM 188 CG ASN A 13 4.110 -6.396 2.840 1.00 0.00 C ATOM 189 OD1 ASN A 13 4.025 -7.524 3.284 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.808 -5.364 3.594 1.00 0.00 N ATOM 0 H ASN A 13 6.917 -5.488 0.914 1.00 0.00 H new ATOM 0 HA ASN A 13 5.654 -8.012 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.989 -5.142 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.713 -6.187 0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.501 -5.508 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.881 -4.419 3.218 1.00 0.00 H new ATOM 197 N LEU A 14 5.288 -6.769 -1.426 1.00 0.00 N ATOM 198 CA LEU A 14 4.936 -7.143 -2.823 1.00 0.00 C ATOM 199 C LEU A 14 5.826 -8.283 -3.306 1.00 0.00 C ATOM 200 O LEU A 14 5.470 -9.017 -4.210 1.00 0.00 O ATOM 201 CB LEU A 14 5.128 -5.918 -3.717 1.00 0.00 C ATOM 202 CG LEU A 14 4.066 -4.853 -3.367 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.598 -3.454 -3.673 1.00 0.00 C ATOM 204 CD2 LEU A 14 2.796 -5.091 -4.187 1.00 0.00 C ATOM 0 H LEU A 14 5.530 -5.787 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 14 3.899 -7.477 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.129 -5.508 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.041 -6.203 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 14 3.838 -4.931 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.839 -2.713 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.495 -3.269 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.840 -3.380 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.052 -4.335 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.031 -5.027 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.398 -6.081 -3.963 1.00 0.00 H new ATOM 216 N LYS A 15 6.969 -8.457 -2.711 1.00 0.00 N ATOM 217 CA LYS A 15 7.854 -9.565 -3.151 1.00 0.00 C ATOM 218 C LYS A 15 7.230 -10.896 -2.740 1.00 0.00 C ATOM 219 O LYS A 15 6.999 -11.756 -3.562 1.00 0.00 O ATOM 220 CB LYS A 15 9.229 -9.438 -2.485 1.00 0.00 C ATOM 221 CG LYS A 15 10.195 -10.529 -3.029 1.00 0.00 C ATOM 222 CD LYS A 15 11.090 -11.081 -1.901 1.00 0.00 C ATOM 223 CE LYS A 15 11.702 -12.406 -2.349 1.00 0.00 C ATOM 224 NZ LYS A 15 12.543 -12.185 -3.557 1.00 0.00 N ATOM 0 H LYS A 15 7.327 -7.885 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 15 7.971 -9.519 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.643 -8.448 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.128 -9.538 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.620 -11.341 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.817 -10.109 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.877 -10.366 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.504 -11.226 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.305 -12.829 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.914 -13.126 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.679 -13.088 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.071 -11.508 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.468 -11.804 -3.271 1.00 0.00 H new ATOM 238 N VAL A 16 6.976 -11.089 -1.478 1.00 0.00 N ATOM 239 CA VAL A 16 6.398 -12.398 -1.051 1.00 0.00 C ATOM 240 C VAL A 16 5.150 -12.720 -1.872 1.00 0.00 C ATOM 241 O VAL A 16 4.775 -13.861 -1.982 1.00 0.00 O ATOM 242 CB VAL A 16 6.029 -12.391 0.440 1.00 0.00 C ATOM 243 CG1 VAL A 16 7.300 -12.387 1.288 1.00 0.00 C ATOM 244 CG2 VAL A 16 5.168 -11.166 0.772 1.00 0.00 C ATOM 0 H VAL A 16 7.139 -10.412 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 16 7.159 -13.160 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 16 5.453 -13.289 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.032 -12.382 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.888 -13.278 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.888 -11.498 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.915 -11.176 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.723 -10.257 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.253 -11.193 0.180 1.00 0.00 H new ATOM 254 N ILE A 17 4.492 -11.748 -2.448 1.00 0.00 N ATOM 255 CA ILE A 17 3.273 -12.077 -3.254 1.00 0.00 C ATOM 256 C ILE A 17 3.679 -12.802 -4.544 1.00 0.00 C ATOM 257 O ILE A 17 3.510 -14.005 -4.684 1.00 0.00 O ATOM 258 CB ILE A 17 2.519 -10.794 -3.620 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.397 -9.918 -2.380 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.123 -11.151 -4.140 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.496 -8.714 -2.675 1.00 0.00 C ATOM 0 H ILE A 17 4.737 -10.759 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 17 2.627 -12.721 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 17 3.062 -10.255 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.984 -10.498 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.384 -9.576 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.587 -10.238 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.214 -11.782 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.573 -11.687 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.415 -8.093 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.926 -8.128 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.505 -9.063 -2.966 1.00 0.00 H new ATOM 273 N GLU A 18 4.212 -12.079 -5.494 1.00 0.00 N ATOM 274 CA GLU A 18 4.621 -12.719 -6.782 1.00 0.00 C ATOM 275 C GLU A 18 5.422 -13.979 -6.470 1.00 0.00 C ATOM 276 O GLU A 18 5.435 -14.929 -7.227 1.00 0.00 O ATOM 277 CB GLU A 18 5.474 -11.733 -7.608 1.00 0.00 C ATOM 278 CG GLU A 18 5.121 -10.297 -7.203 1.00 0.00 C ATOM 279 CD GLU A 18 5.533 -9.322 -8.310 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.056 -9.482 -9.422 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.315 -8.432 -8.026 1.00 0.00 O ATOM 0 H GLU A 18 4.382 -11.075 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 18 3.738 -12.983 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.534 -11.921 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.291 -11.879 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.050 -10.216 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.627 -10.038 -6.273 1.00 0.00 H new ATOM 288 N LYS A 19 6.084 -13.981 -5.346 1.00 0.00 N ATOM 289 CA LYS A 19 6.898 -15.169 -4.944 1.00 0.00 C ATOM 290 C LYS A 19 6.142 -15.967 -3.869 1.00 0.00 C ATOM 291 O LYS A 19 6.644 -16.944 -3.349 1.00 0.00 O ATOM 292 CB LYS A 19 8.266 -14.680 -4.406 1.00 0.00 C ATOM 293 CG LYS A 19 9.355 -14.842 -5.480 1.00 0.00 C ATOM 294 CD LYS A 19 9.073 -13.923 -6.688 1.00 0.00 C ATOM 295 CE LYS A 19 9.639 -12.521 -6.438 1.00 0.00 C ATOM 296 NZ LYS A 19 11.095 -12.612 -6.133 1.00 0.00 N ATOM 0 H LYS A 19 6.098 -13.206 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 19 7.067 -15.821 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.194 -13.634 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.537 -15.247 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.330 -14.603 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.396 -15.880 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.520 -14.347 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.999 -13.862 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.480 -11.893 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.113 -12.049 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.499 -11.655 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.229 -13.094 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.574 -13.150 -6.883 1.00 0.00 H new ATOM 310 N ALA A 20 4.936 -15.578 -3.542 1.00 0.00 N ATOM 311 CA ALA A 20 4.169 -16.348 -2.515 1.00 0.00 C ATOM 312 C ALA A 20 4.066 -17.782 -3.010 1.00 0.00 C ATOM 313 O ALA A 20 4.154 -18.730 -2.256 1.00 0.00 O ATOM 314 CB ALA A 20 2.749 -15.772 -2.349 1.00 0.00 C ATOM 0 H ALA A 20 4.453 -14.770 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 20 4.676 -16.290 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.209 -16.347 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.813 -14.731 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.219 -15.830 -3.300 1.00 0.00 H new ATOM 320 N ASP A 21 3.879 -17.928 -4.290 1.00 0.00 N ATOM 321 CA ASP A 21 3.766 -19.284 -4.907 1.00 0.00 C ATOM 322 C ASP A 21 2.524 -20.014 -4.364 1.00 0.00 C ATOM 323 O ASP A 21 2.066 -20.976 -4.952 1.00 0.00 O ATOM 324 CB ASP A 21 5.052 -20.109 -4.620 1.00 0.00 C ATOM 325 CG ASP A 21 5.928 -20.196 -5.877 1.00 0.00 C ATOM 326 OD1 ASP A 21 6.013 -19.206 -6.584 1.00 0.00 O ATOM 327 OD2 ASP A 21 6.496 -21.251 -6.107 1.00 0.00 O ATOM 0 H ASP A 21 3.798 -17.154 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 21 3.657 -19.174 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.614 -19.646 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.781 -21.111 -4.288 1.00 0.00 H new ATOM 332 N ASN A 22 1.969 -19.577 -3.258 1.00 0.00 N ATOM 333 CA ASN A 22 0.754 -20.266 -2.708 1.00 0.00 C ATOM 334 C ASN A 22 -0.156 -19.245 -2.028 1.00 0.00 C ATOM 335 O ASN A 22 0.301 -18.312 -1.404 1.00 0.00 O ATOM 336 CB ASN A 22 1.144 -21.340 -1.682 1.00 0.00 C ATOM 337 CG ASN A 22 2.449 -21.984 -2.102 1.00 0.00 C ATOM 338 OD1 ASN A 22 3.485 -21.226 -2.249 1.00 0.00 O flip ATOM 339 ND2 ASN A 22 2.527 -23.181 -2.297 1.00 0.00 N flip ATOM 0 H ASN A 22 2.300 -18.780 -2.715 1.00 0.00 H new ATOM 0 HA ASN A 22 0.234 -20.742 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.247 -20.894 -0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.360 -22.094 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.704 -23.772 -2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.416 -23.595 -2.579 1.00 0.00 H new ATOM 346 N ALA A 23 -1.439 -19.433 -2.136 1.00 0.00 N ATOM 347 CA ALA A 23 -2.401 -18.487 -1.500 1.00 0.00 C ATOM 348 C ALA A 23 -2.114 -18.374 0.003 1.00 0.00 C ATOM 349 O ALA A 23 -2.581 -17.469 0.662 1.00 0.00 O ATOM 350 CB ALA A 23 -3.836 -18.994 -1.722 1.00 0.00 C ATOM 0 H ALA A 23 -1.869 -20.208 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.289 -17.502 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.541 -18.304 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.039 -19.056 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.946 -19.982 -1.274 1.00 0.00 H new ATOM 356 N ALA A 24 -1.358 -19.287 0.548 1.00 0.00 N ATOM 357 CA ALA A 24 -1.057 -19.230 2.009 1.00 0.00 C ATOM 358 C ALA A 24 -0.180 -18.009 2.305 1.00 0.00 C ATOM 359 O ALA A 24 -0.506 -17.178 3.129 1.00 0.00 O ATOM 360 CB ALA A 24 -0.309 -20.498 2.423 1.00 0.00 C ATOM 0 H ALA A 24 -0.936 -20.069 0.047 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.990 -19.154 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.088 -20.458 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.928 -21.370 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.623 -20.570 1.862 1.00 0.00 H new ATOM 366 N GLN A 25 0.935 -17.909 1.641 1.00 0.00 N ATOM 367 CA GLN A 25 1.857 -16.768 1.868 1.00 0.00 C ATOM 368 C GLN A 25 1.233 -15.462 1.365 1.00 0.00 C ATOM 369 O GLN A 25 1.643 -14.385 1.752 1.00 0.00 O ATOM 370 CB GLN A 25 3.167 -17.049 1.125 1.00 0.00 C ATOM 371 CG GLN A 25 3.483 -18.557 1.183 1.00 0.00 C ATOM 372 CD GLN A 25 4.986 -18.785 1.016 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.674 -19.112 1.964 1.00 0.00 O ATOM 374 NE2 GLN A 25 5.523 -18.632 -0.159 1.00 0.00 N ATOM 0 H GLN A 25 1.250 -18.580 0.941 1.00 0.00 H new ATOM 0 HA GLN A 25 2.048 -16.658 2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.085 -16.724 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.981 -16.479 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.148 -18.971 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.938 -19.081 0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.944 -18.358 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.523 -18.786 -0.287 1.00 0.00 H new ATOM 383 N VAL A 26 0.246 -15.538 0.512 1.00 0.00 N ATOM 384 CA VAL A 26 -0.381 -14.274 0.010 1.00 0.00 C ATOM 385 C VAL A 26 -1.176 -13.640 1.148 1.00 0.00 C ATOM 386 O VAL A 26 -1.060 -12.457 1.401 1.00 0.00 O ATOM 387 CB VAL A 26 -1.320 -14.541 -1.177 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.887 -13.209 -1.715 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.550 -15.225 -2.308 1.00 0.00 C ATOM 0 H VAL A 26 -0.150 -16.403 0.145 1.00 0.00 H new ATOM 0 HA VAL A 26 0.410 -13.606 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.133 -15.182 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.551 -13.409 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.444 -12.705 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.067 -12.571 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.222 -15.411 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.266 -14.580 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.144 -16.172 -1.951 1.00 0.00 H new ATOM 399 N LYS A 27 -1.975 -14.395 1.864 1.00 0.00 N ATOM 400 CA LYS A 27 -2.724 -13.769 2.983 1.00 0.00 C ATOM 401 C LYS A 27 -1.695 -13.114 3.877 1.00 0.00 C ATOM 402 O LYS A 27 -1.720 -11.932 4.149 1.00 0.00 O ATOM 403 CB LYS A 27 -3.413 -14.835 3.828 1.00 0.00 C ATOM 404 CG LYS A 27 -4.520 -15.581 3.037 1.00 0.00 C ATOM 405 CD LYS A 27 -4.340 -17.098 3.203 1.00 0.00 C ATOM 406 CE LYS A 27 -4.489 -17.488 4.676 1.00 0.00 C ATOM 407 NZ LYS A 27 -4.800 -18.942 4.778 1.00 0.00 N ATOM 0 H LYS A 27 -2.135 -15.392 1.723 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.465 -13.074 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.672 -15.553 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.850 -14.370 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.504 -15.280 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.471 -15.312 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.079 -17.628 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.358 -17.398 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.570 -17.263 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.283 -16.902 5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.901 -19.206 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.688 -19.143 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.028 -19.493 4.351 1.00 0.00 H new ATOM 421 N ASP A 28 -0.779 -13.919 4.319 1.00 0.00 N ATOM 422 CA ASP A 28 0.302 -13.438 5.202 1.00 0.00 C ATOM 423 C ASP A 28 0.975 -12.222 4.573 1.00 0.00 C ATOM 424 O ASP A 28 1.423 -11.323 5.258 1.00 0.00 O ATOM 425 CB ASP A 28 1.337 -14.553 5.346 1.00 0.00 C ATOM 426 CG ASP A 28 0.667 -15.802 5.922 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.255 -15.646 6.707 1.00 0.00 O ATOM 428 OD2 ASP A 28 1.086 -16.892 5.570 1.00 0.00 O ATOM 0 H ASP A 28 -0.736 -14.914 4.098 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.108 -13.164 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.780 -14.780 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.148 -14.229 5.999 1.00 0.00 H new ATOM 433 N ALA A 29 1.067 -12.193 3.275 1.00 0.00 N ATOM 434 CA ALA A 29 1.730 -11.046 2.612 1.00 0.00 C ATOM 435 C ALA A 29 0.874 -9.789 2.746 1.00 0.00 C ATOM 436 O ALA A 29 1.225 -8.852 3.434 1.00 0.00 O ATOM 437 CB ALA A 29 1.922 -11.344 1.130 1.00 0.00 C ATOM 0 H ALA A 29 0.711 -12.914 2.647 1.00 0.00 H new ATOM 0 HA ALA A 29 2.696 -10.886 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.410 -10.496 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.542 -12.233 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.951 -11.516 0.665 1.00 0.00 H new ATOM 443 N LEU A 30 -0.241 -9.759 2.071 1.00 0.00 N ATOM 444 CA LEU A 30 -1.116 -8.559 2.132 1.00 0.00 C ATOM 445 C LEU A 30 -1.494 -8.279 3.587 1.00 0.00 C ATOM 446 O LEU A 30 -1.861 -7.176 3.941 1.00 0.00 O ATOM 447 CB LEU A 30 -2.373 -8.811 1.295 1.00 0.00 C ATOM 448 CG LEU A 30 -2.015 -8.901 -0.196 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.279 -9.249 -0.989 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.443 -7.560 -0.698 1.00 0.00 C ATOM 0 H LEU A 30 -0.583 -10.516 1.479 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.589 -7.692 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.852 -9.736 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.091 -8.007 1.455 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.258 -9.673 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.036 -9.315 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.672 -10.206 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.029 -8.473 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.195 -7.643 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.185 -6.773 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.544 -7.314 -0.133 1.00 0.00 H new ATOM 462 N THR A 31 -1.379 -9.258 4.441 1.00 0.00 N ATOM 463 CA THR A 31 -1.700 -9.032 5.877 1.00 0.00 C ATOM 464 C THR A 31 -0.706 -8.018 6.431 1.00 0.00 C ATOM 465 O THR A 31 -1.043 -7.144 7.206 1.00 0.00 O ATOM 466 CB THR A 31 -1.533 -10.340 6.649 1.00 0.00 C ATOM 467 OG1 THR A 31 -2.518 -11.272 6.230 1.00 0.00 O ATOM 468 CG2 THR A 31 -1.685 -10.082 8.150 1.00 0.00 C ATOM 0 H THR A 31 -1.077 -10.204 4.206 1.00 0.00 H new ATOM 0 HA THR A 31 -2.724 -8.673 5.978 1.00 0.00 H new ATOM 0 HB THR A 31 -0.540 -10.745 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.494 -11.356 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.565 -11.019 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.924 -9.373 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.674 -9.671 8.350 1.00 0.00 H new ATOM 476 N LYS A 32 0.527 -8.155 6.040 1.00 0.00 N ATOM 477 CA LYS A 32 1.585 -7.236 6.528 1.00 0.00 C ATOM 478 C LYS A 32 1.434 -5.869 5.843 1.00 0.00 C ATOM 479 O LYS A 32 1.720 -4.841 6.426 1.00 0.00 O ATOM 480 CB LYS A 32 2.946 -7.867 6.200 1.00 0.00 C ATOM 481 CG LYS A 32 3.370 -8.813 7.332 1.00 0.00 C ATOM 482 CD LYS A 32 4.567 -9.657 6.880 1.00 0.00 C ATOM 483 CE LYS A 32 5.181 -10.370 8.090 1.00 0.00 C ATOM 484 NZ LYS A 32 5.984 -11.537 7.625 1.00 0.00 N ATOM 0 H LYS A 32 0.850 -8.875 5.394 1.00 0.00 H new ATOM 0 HA LYS A 32 1.503 -7.083 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.885 -8.415 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.695 -7.087 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.633 -8.238 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.539 -9.462 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.249 -10.389 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.313 -9.022 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.813 -9.680 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.394 -10.703 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.401 -12.021 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.369 -12.198 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.743 -11.207 6.995 1.00 0.00 H new ATOM 498 N MET A 33 0.969 -5.843 4.620 1.00 0.00 N ATOM 499 CA MET A 33 0.782 -4.535 3.921 1.00 0.00 C ATOM 500 C MET A 33 -0.316 -3.761 4.622 1.00 0.00 C ATOM 501 O MET A 33 -0.092 -2.749 5.257 1.00 0.00 O ATOM 502 CB MET A 33 0.320 -4.777 2.486 1.00 0.00 C ATOM 503 CG MET A 33 1.477 -5.305 1.649 1.00 0.00 C ATOM 504 SD MET A 33 1.045 -5.222 -0.109 1.00 0.00 S ATOM 505 CE MET A 33 1.844 -3.637 -0.476 1.00 0.00 C ATOM 0 H MET A 33 0.712 -6.667 4.077 1.00 0.00 H new ATOM 0 HA MET A 33 1.725 -3.989 3.931 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.503 -5.492 2.476 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.058 -3.850 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.375 -4.718 1.841 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.702 -6.334 1.930 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.697 -3.390 -1.528 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.405 -2.856 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.911 -3.710 -0.266 1.00 0.00 H new ATOM 515 N ARG A 34 -1.516 -4.250 4.493 1.00 0.00 N ATOM 516 CA ARG A 34 -2.683 -3.581 5.125 1.00 0.00 C ATOM 517 C ARG A 34 -2.317 -3.220 6.561 1.00 0.00 C ATOM 518 O ARG A 34 -2.802 -2.256 7.116 1.00 0.00 O ATOM 519 CB ARG A 34 -3.884 -4.548 5.113 1.00 0.00 C ATOM 520 CG ARG A 34 -5.215 -3.795 5.416 1.00 0.00 C ATOM 521 CD ARG A 34 -6.379 -4.354 4.570 1.00 0.00 C ATOM 522 NE ARG A 34 -7.452 -3.328 4.468 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.325 -3.191 5.434 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.226 -3.924 6.508 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.297 -2.324 5.327 1.00 0.00 N ATOM 0 H ARG A 34 -1.740 -5.096 3.969 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.948 -2.676 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.952 -5.036 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.730 -5.333 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.455 -3.887 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.090 -2.732 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.023 -4.625 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.771 -5.263 5.026 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.507 -2.730 3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.469 -4.603 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.905 -3.819 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.378 -1.750 4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.974 -2.221 6.083 1.00 0.00 H new ATOM 539 N ALA A 35 -1.446 -3.987 7.154 1.00 0.00 N ATOM 540 CA ALA A 35 -1.025 -3.695 8.554 1.00 0.00 C ATOM 541 C ALA A 35 -0.087 -2.485 8.573 1.00 0.00 C ATOM 542 O ALA A 35 -0.407 -1.453 9.131 1.00 0.00 O ATOM 543 CB ALA A 35 -0.303 -4.904 9.141 1.00 0.00 C ATOM 0 H ALA A 35 -1.007 -4.804 6.730 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.910 -3.477 9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.002 -4.684 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.973 -5.764 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.578 -5.129 8.540 1.00 0.00 H new ATOM 549 N ALA A 36 1.072 -2.598 7.976 1.00 0.00 N ATOM 550 CA ALA A 36 2.010 -1.440 7.981 1.00 0.00 C ATOM 551 C ALA A 36 1.358 -0.262 7.262 1.00 0.00 C ATOM 552 O ALA A 36 1.569 0.882 7.612 1.00 0.00 O ATOM 553 CB ALA A 36 3.310 -1.827 7.274 1.00 0.00 C ATOM 0 H ALA A 36 1.405 -3.432 7.492 1.00 0.00 H new ATOM 0 HA ALA A 36 2.237 -1.157 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.994 -0.978 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.771 -2.667 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.093 -2.112 6.244 1.00 0.00 H new ATOM 559 N ALA A 37 0.559 -0.528 6.269 1.00 0.00 N ATOM 560 CA ALA A 37 -0.110 0.587 5.549 1.00 0.00 C ATOM 561 C ALA A 37 -0.974 1.357 6.547 1.00 0.00 C ATOM 562 O ALA A 37 -1.060 2.568 6.504 1.00 0.00 O ATOM 563 CB ALA A 37 -0.986 0.025 4.430 1.00 0.00 C ATOM 0 H ALA A 37 0.341 -1.464 5.927 1.00 0.00 H new ATOM 0 HA ALA A 37 0.635 1.251 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.475 0.845 3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.367 -0.537 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.742 -0.635 4.856 1.00 0.00 H new ATOM 569 N LEU A 38 -1.607 0.663 7.457 1.00 0.00 N ATOM 570 CA LEU A 38 -2.450 1.362 8.464 1.00 0.00 C ATOM 571 C LEU A 38 -1.540 2.219 9.351 1.00 0.00 C ATOM 572 O LEU A 38 -1.963 3.210 9.913 1.00 0.00 O ATOM 573 CB LEU A 38 -3.206 0.328 9.335 1.00 0.00 C ATOM 574 CG LEU A 38 -4.573 -0.018 8.710 1.00 0.00 C ATOM 575 CD1 LEU A 38 -5.038 -1.392 9.213 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.620 1.033 9.114 1.00 0.00 C ATOM 0 H LEU A 38 -1.575 -0.353 7.544 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.182 1.992 7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.607 -0.577 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.350 0.727 10.339 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.467 -0.032 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.004 -1.634 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.308 -2.150 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.132 -1.369 10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.581 0.779 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.718 1.051 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.304 2.015 8.762 1.00 0.00 H new ATOM 588 N ASP A 39 -0.291 1.844 9.487 1.00 0.00 N ATOM 589 CA ASP A 39 0.632 2.643 10.347 1.00 0.00 C ATOM 590 C ASP A 39 1.220 3.808 9.545 1.00 0.00 C ATOM 591 O ASP A 39 1.410 4.891 10.063 1.00 0.00 O ATOM 592 CB ASP A 39 1.768 1.746 10.847 1.00 0.00 C ATOM 593 CG ASP A 39 2.630 2.517 11.848 1.00 0.00 C ATOM 594 OD1 ASP A 39 2.274 3.641 12.165 1.00 0.00 O ATOM 595 OD2 ASP A 39 3.632 1.972 12.281 1.00 0.00 O ATOM 0 H ASP A 39 0.125 1.025 9.043 1.00 0.00 H new ATOM 0 HA ASP A 39 0.075 3.039 11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.358 0.852 11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.378 1.413 10.007 1.00 0.00 H new ATOM 600 N ALA A 40 1.516 3.600 8.292 1.00 0.00 N ATOM 601 CA ALA A 40 2.094 4.706 7.478 1.00 0.00 C ATOM 602 C ALA A 40 1.136 5.890 7.471 1.00 0.00 C ATOM 603 O ALA A 40 1.439 6.905 8.055 1.00 0.00 O ATOM 604 CB ALA A 40 2.362 4.225 6.044 1.00 0.00 C ATOM 0 H ALA A 40 1.384 2.717 7.799 1.00 0.00 H new ATOM 0 HA ALA A 40 3.041 5.019 7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.784 5.042 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.065 3.393 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.427 3.899 5.589 1.00 0.00 H new ATOM 610 N GLN A 41 -0.003 5.754 6.813 1.00 0.00 N ATOM 611 CA GLN A 41 -1.028 6.861 6.727 1.00 0.00 C ATOM 612 C GLN A 41 -0.454 8.195 7.228 1.00 0.00 C ATOM 613 O GLN A 41 -0.078 9.056 6.460 1.00 0.00 O ATOM 614 CB GLN A 41 -2.264 6.476 7.565 1.00 0.00 C ATOM 615 CG GLN A 41 -3.495 7.248 7.071 1.00 0.00 C ATOM 616 CD GLN A 41 -3.180 8.745 6.985 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.029 9.424 8.085 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 -3.065 9.295 5.908 1.00 0.00 N flip ATOM 0 H GLN A 41 -0.271 4.902 6.321 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.310 6.989 5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.444 5.403 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.084 6.698 8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.798 6.876 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.333 7.083 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.184 8.761 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.850 10.291 5.864 1.00 0.00 H new ATOM 627 N LYS A 42 -0.387 8.347 8.518 1.00 0.00 N ATOM 628 CA LYS A 42 0.161 9.592 9.127 1.00 0.00 C ATOM 629 C LYS A 42 1.594 9.864 8.617 1.00 0.00 C ATOM 630 O LYS A 42 2.306 10.670 9.182 1.00 0.00 O ATOM 631 CB LYS A 42 0.226 9.449 10.665 1.00 0.00 C ATOM 632 CG LYS A 42 -0.976 8.677 11.239 1.00 0.00 C ATOM 633 CD LYS A 42 -2.227 9.551 11.191 1.00 0.00 C ATOM 634 CE LYS A 42 -3.468 8.685 11.420 1.00 0.00 C ATOM 635 NZ LYS A 42 -4.693 9.517 11.250 1.00 0.00 N ATOM 0 H LYS A 42 -0.695 7.647 9.192 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.497 10.414 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.148 8.936 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.266 10.440 11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.138 7.763 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.770 8.378 12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.169 10.329 11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.295 10.054 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.479 7.854 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.444 8.254 12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.536 8.929 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.682 10.296 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.716 9.908 10.286 1.00 0.00 H new ATOM 649 N ALA A 43 2.040 9.194 7.588 1.00 0.00 N ATOM 650 CA ALA A 43 3.431 9.420 7.104 1.00 0.00 C ATOM 651 C ALA A 43 3.518 10.744 6.344 1.00 0.00 C ATOM 652 O ALA A 43 2.579 11.171 5.702 1.00 0.00 O ATOM 653 CB ALA A 43 3.834 8.275 6.175 1.00 0.00 C ATOM 0 H ALA A 43 1.503 8.503 7.064 1.00 0.00 H new ATOM 0 HA ALA A 43 4.104 9.458 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.851 8.437 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.785 7.331 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.153 8.240 5.325 1.00 0.00 H new ATOM 659 N THR A 44 4.652 11.390 6.409 1.00 0.00 N ATOM 660 CA THR A 44 4.829 12.688 5.695 1.00 0.00 C ATOM 661 C THR A 44 6.320 12.875 5.381 1.00 0.00 C ATOM 662 O THR A 44 7.006 13.637 6.033 1.00 0.00 O ATOM 663 CB THR A 44 4.334 13.846 6.595 1.00 0.00 C ATOM 664 OG1 THR A 44 4.445 13.457 7.956 1.00 0.00 O ATOM 665 CG2 THR A 44 2.869 14.181 6.283 1.00 0.00 C ATOM 0 H THR A 44 5.469 11.071 6.930 1.00 0.00 H new ATOM 0 HA THR A 44 4.253 12.688 4.770 1.00 0.00 H new ATOM 0 HB THR A 44 4.945 14.728 6.404 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.135 14.187 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.538 14.997 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.779 14.481 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.249 13.303 6.463 1.00 0.00 H new ATOM 673 N PRO A 45 6.811 12.183 4.385 1.00 0.00 N ATOM 674 CA PRO A 45 8.243 12.275 3.972 1.00 0.00 C ATOM 675 C PRO A 45 8.748 13.721 3.786 1.00 0.00 C ATOM 676 O PRO A 45 9.865 14.023 4.159 1.00 0.00 O ATOM 677 CB PRO A 45 8.315 11.477 2.658 1.00 0.00 C ATOM 678 CG PRO A 45 7.142 10.544 2.699 1.00 0.00 C ATOM 679 CD PRO A 45 6.060 11.223 3.552 1.00 0.00 C ATOM 0 HA PRO A 45 8.895 11.877 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.262 12.138 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.253 10.927 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.772 10.345 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.427 9.584 3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.320 11.727 2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.522 10.499 4.164 1.00 0.00 H new ATOM 687 N PRO A 46 7.966 14.622 3.222 1.00 0.00 N ATOM 688 CA PRO A 46 8.405 16.019 3.020 1.00 0.00 C ATOM 689 C PRO A 46 7.985 16.915 4.186 1.00 0.00 C ATOM 690 O PRO A 46 8.673 17.019 5.182 1.00 0.00 O ATOM 691 CB PRO A 46 7.681 16.414 1.732 1.00 0.00 C ATOM 692 CG PRO A 46 6.390 15.638 1.754 1.00 0.00 C ATOM 693 CD PRO A 46 6.594 14.442 2.710 1.00 0.00 C ATOM 0 HA PRO A 46 9.488 16.124 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.495 17.487 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.276 16.165 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.568 16.268 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.132 15.291 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.863 14.448 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.484 13.491 2.188 1.00 0.00 H new ATOM 701 N LYS A 47 6.859 17.561 4.074 1.00 0.00 N ATOM 702 CA LYS A 47 6.404 18.444 5.181 1.00 0.00 C ATOM 703 C LYS A 47 5.038 19.049 4.848 1.00 0.00 C ATOM 704 O LYS A 47 4.936 19.992 4.089 1.00 0.00 O ATOM 705 CB LYS A 47 7.427 19.575 5.394 1.00 0.00 C ATOM 706 CG LYS A 47 8.044 19.985 4.047 1.00 0.00 C ATOM 707 CD LYS A 47 8.606 21.407 4.143 1.00 0.00 C ATOM 708 CE LYS A 47 9.645 21.483 5.267 1.00 0.00 C ATOM 709 NZ LYS A 47 8.952 21.609 6.582 1.00 0.00 N ATOM 0 H LYS A 47 6.237 17.516 3.267 1.00 0.00 H new ATOM 0 HA LYS A 47 6.318 17.851 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.941 20.434 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.210 19.245 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.837 19.289 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.290 19.935 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.062 21.692 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.799 22.114 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.271 20.590 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.305 22.336 5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.438 22.321 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.966 21.903 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.968 20.692 7.072 1.00 0.00 H new ATOM 723 N LEU A 48 3.988 18.539 5.435 1.00 0.00 N ATOM 724 CA LEU A 48 2.640 19.119 5.176 1.00 0.00 C ATOM 725 C LEU A 48 2.488 20.331 6.101 1.00 0.00 C ATOM 726 O LEU A 48 3.419 20.715 6.780 1.00 0.00 O ATOM 727 CB LEU A 48 1.546 18.056 5.468 1.00 0.00 C ATOM 728 CG LEU A 48 0.779 17.693 4.181 1.00 0.00 C ATOM 729 CD1 LEU A 48 0.050 16.360 4.375 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.246 18.787 3.870 1.00 0.00 C ATOM 0 H LEU A 48 4.006 17.749 6.080 1.00 0.00 H new ATOM 0 HA LEU A 48 2.531 19.424 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.005 17.161 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.851 18.439 6.215 1.00 0.00 H new ATOM 0 HG LEU A 48 1.485 17.606 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.492 16.105 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.776 15.577 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.654 16.447 5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.788 18.530 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.949 18.873 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.268 19.738 3.730 1.00 0.00 H new ATOM 742 N GLU A 49 1.344 20.951 6.127 1.00 0.00 N ATOM 743 CA GLU A 49 1.182 22.145 7.004 1.00 0.00 C ATOM 744 C GLU A 49 2.331 23.112 6.718 1.00 0.00 C ATOM 745 O GLU A 49 2.657 23.976 7.507 1.00 0.00 O ATOM 746 CB GLU A 49 1.217 21.719 8.474 1.00 0.00 C ATOM 747 CG GLU A 49 0.116 20.689 8.735 1.00 0.00 C ATOM 748 CD GLU A 49 -1.248 21.381 8.736 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.293 22.559 9.051 1.00 0.00 O ATOM 750 OE2 GLU A 49 -2.224 20.721 8.421 1.00 0.00 O ATOM 0 H GLU A 49 0.521 20.688 5.586 1.00 0.00 H new ATOM 0 HA GLU A 49 0.226 22.629 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.191 21.295 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.077 22.587 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.141 19.914 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.285 20.196 9.692 1.00 0.00 H new ATOM 757 N ASP A 50 2.937 22.960 5.574 1.00 0.00 N ATOM 758 CA ASP A 50 4.070 23.846 5.177 1.00 0.00 C ATOM 759 C ASP A 50 3.967 24.104 3.679 1.00 0.00 C ATOM 760 O ASP A 50 3.792 25.224 3.242 1.00 0.00 O ATOM 761 CB ASP A 50 5.408 23.167 5.496 1.00 0.00 C ATOM 762 CG ASP A 50 5.673 23.241 6.999 1.00 0.00 C ATOM 763 OD1 ASP A 50 6.170 24.265 7.443 1.00 0.00 O ATOM 764 OD2 ASP A 50 5.376 22.276 7.683 1.00 0.00 O ATOM 0 H ASP A 50 2.692 22.248 4.886 1.00 0.00 H new ATOM 0 HA ASP A 50 4.021 24.785 5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.386 22.127 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.215 23.655 4.949 1.00 0.00 H new ATOM 769 N LYS A 51 4.046 23.075 2.889 1.00 0.00 N ATOM 770 CA LYS A 51 3.919 23.267 1.426 1.00 0.00 C ATOM 771 C LYS A 51 2.482 23.725 1.135 1.00 0.00 C ATOM 772 O LYS A 51 1.869 24.388 1.947 1.00 0.00 O ATOM 773 CB LYS A 51 4.249 21.942 0.717 1.00 0.00 C ATOM 774 CG LYS A 51 3.196 20.854 1.055 1.00 0.00 C ATOM 775 CD LYS A 51 3.146 19.774 -0.050 1.00 0.00 C ATOM 776 CE LYS A 51 4.209 18.703 0.206 1.00 0.00 C ATOM 777 NZ LYS A 51 3.831 17.910 1.411 1.00 0.00 N ATOM 0 H LYS A 51 4.193 22.113 3.193 1.00 0.00 H new ATOM 0 HA LYS A 51 4.612 24.023 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.281 22.100 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.239 21.601 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.439 20.391 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.214 21.314 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.157 19.316 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.310 20.233 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.298 18.048 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.183 19.169 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.543 18.051 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.902 18.224 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.785 16.901 1.162 1.00 0.00 H new ATOM 791 N SER A 52 1.919 23.356 0.015 1.00 0.00 N ATOM 792 CA SER A 52 0.518 23.755 -0.262 1.00 0.00 C ATOM 793 C SER A 52 -0.415 22.833 0.544 1.00 0.00 C ATOM 794 O SER A 52 -0.246 21.630 0.523 1.00 0.00 O ATOM 795 CB SER A 52 0.229 23.593 -1.754 1.00 0.00 C ATOM 796 OG SER A 52 -1.067 24.101 -2.038 1.00 0.00 O ATOM 0 H SER A 52 2.369 22.800 -0.712 1.00 0.00 H new ATOM 0 HA SER A 52 0.358 24.795 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.978 24.125 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.290 22.542 -2.036 1.00 0.00 H new ATOM 0 HG SER A 52 -1.255 24.000 -2.994 1.00 0.00 H new ATOM 802 N PRO A 53 -1.386 23.366 1.251 1.00 0.00 N ATOM 803 CA PRO A 53 -2.333 22.539 2.062 1.00 0.00 C ATOM 804 C PRO A 53 -3.440 21.946 1.195 1.00 0.00 C ATOM 805 O PRO A 53 -4.198 21.104 1.627 1.00 0.00 O ATOM 806 CB PRO A 53 -2.920 23.562 3.026 1.00 0.00 C ATOM 807 CG PRO A 53 -3.000 24.795 2.196 1.00 0.00 C ATOM 808 CD PRO A 53 -1.715 24.802 1.367 1.00 0.00 C ATOM 0 HA PRO A 53 -1.848 21.691 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.901 23.257 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.285 23.704 3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.882 24.783 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.071 25.686 2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.867 25.261 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.919 25.360 1.861 1.00 0.00 H new ATOM 816 N ASP A 54 -3.543 22.414 -0.017 1.00 0.00 N ATOM 817 CA ASP A 54 -4.603 21.924 -0.935 1.00 0.00 C ATOM 818 C ASP A 54 -5.967 22.406 -0.433 1.00 0.00 C ATOM 819 O ASP A 54 -6.156 23.582 -0.191 1.00 0.00 O ATOM 820 CB ASP A 54 -4.567 20.394 -1.017 1.00 0.00 C ATOM 821 CG ASP A 54 -3.113 19.918 -1.009 1.00 0.00 C ATOM 822 OD1 ASP A 54 -2.581 19.720 0.071 1.00 0.00 O ATOM 823 OD2 ASP A 54 -2.557 19.760 -2.084 1.00 0.00 O ATOM 0 H ASP A 54 -2.928 23.125 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.431 22.321 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.107 19.961 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.067 20.056 -1.925 1.00 0.00 H new ATOM 828 N SER A 55 -6.923 21.529 -0.278 1.00 0.00 N ATOM 829 CA SER A 55 -8.257 22.001 0.199 1.00 0.00 C ATOM 830 C SER A 55 -9.202 20.857 0.613 1.00 0.00 C ATOM 831 O SER A 55 -10.058 21.078 1.441 1.00 0.00 O ATOM 832 CB SER A 55 -8.922 22.823 -0.905 1.00 0.00 C ATOM 833 OG SER A 55 -10.126 23.393 -0.408 1.00 0.00 O ATOM 0 H SER A 55 -6.843 20.528 -0.456 1.00 0.00 H new ATOM 0 HA SER A 55 -8.078 22.602 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.248 23.609 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.135 22.191 -1.767 1.00 0.00 H new ATOM 0 HG SER A 55 -10.553 23.922 -1.114 1.00 0.00 H new ATOM 839 N PRO A 56 -9.095 19.665 0.054 1.00 0.00 N ATOM 840 CA PRO A 56 -10.000 18.522 0.421 1.00 0.00 C ATOM 841 C PRO A 56 -10.013 18.221 1.921 1.00 0.00 C ATOM 842 O PRO A 56 -9.921 17.080 2.322 1.00 0.00 O ATOM 843 CB PRO A 56 -9.414 17.336 -0.361 1.00 0.00 C ATOM 844 CG PRO A 56 -8.766 17.975 -1.539 1.00 0.00 C ATOM 845 CD PRO A 56 -8.137 19.250 -0.988 1.00 0.00 C ATOM 0 HA PRO A 56 -11.039 18.744 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.694 16.778 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.190 16.633 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.014 17.321 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.494 18.197 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.145 19.066 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.024 20.011 -1.760 1.00 0.00 H new ATOM 853 N GLU A 57 -10.119 19.226 2.754 1.00 0.00 N ATOM 854 CA GLU A 57 -10.122 18.981 4.223 1.00 0.00 C ATOM 855 C GLU A 57 -8.977 18.030 4.537 1.00 0.00 C ATOM 856 O GLU A 57 -9.040 17.249 5.463 1.00 0.00 O ATOM 857 CB GLU A 57 -11.450 18.341 4.634 1.00 0.00 C ATOM 858 CG GLU A 57 -12.603 19.286 4.293 1.00 0.00 C ATOM 859 CD GLU A 57 -13.929 18.526 4.378 1.00 0.00 C ATOM 860 OE1 GLU A 57 -14.061 17.527 3.690 1.00 0.00 O ATOM 861 OE2 GLU A 57 -14.788 18.956 5.130 1.00 0.00 O ATOM 0 H GLU A 57 -10.203 20.204 2.477 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.002 19.917 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.582 17.390 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.446 18.126 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.611 20.130 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.469 19.694 3.291 1.00 0.00 H new ATOM 868 N MET A 58 -7.953 18.074 3.717 1.00 0.00 N ATOM 869 CA MET A 58 -6.789 17.173 3.878 1.00 0.00 C ATOM 870 C MET A 58 -7.244 15.737 3.640 1.00 0.00 C ATOM 871 O MET A 58 -6.449 14.828 3.534 1.00 0.00 O ATOM 872 CB MET A 58 -6.190 17.329 5.274 1.00 0.00 C ATOM 873 CG MET A 58 -5.807 18.799 5.521 1.00 0.00 C ATOM 874 SD MET A 58 -5.910 19.158 7.297 1.00 0.00 S ATOM 875 CE MET A 58 -7.467 20.083 7.274 1.00 0.00 C ATOM 0 H MET A 58 -7.883 18.716 2.927 1.00 0.00 H new ATOM 0 HA MET A 58 -6.017 17.431 3.153 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.908 17.000 6.026 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.310 16.694 5.374 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.797 18.989 5.158 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.474 19.458 4.966 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.689 20.447 8.277 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.378 20.929 6.593 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.273 19.430 6.938 1.00 0.00 H new ATOM 885 N LYS A 59 -8.528 15.550 3.519 1.00 0.00 N ATOM 886 CA LYS A 59 -9.098 14.202 3.267 1.00 0.00 C ATOM 887 C LYS A 59 -8.376 13.545 2.100 1.00 0.00 C ATOM 888 O LYS A 59 -8.003 12.396 2.149 1.00 0.00 O ATOM 889 CB LYS A 59 -10.565 14.387 2.874 1.00 0.00 C ATOM 890 CG LYS A 59 -11.303 13.024 2.806 1.00 0.00 C ATOM 891 CD LYS A 59 -11.435 12.562 1.351 1.00 0.00 C ATOM 892 CE LYS A 59 -12.000 11.141 1.315 1.00 0.00 C ATOM 893 NZ LYS A 59 -13.304 11.107 2.035 1.00 0.00 N ATOM 0 H LYS A 59 -9.221 16.295 3.586 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.993 13.581 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.059 15.036 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.625 14.885 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.757 12.278 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.291 13.115 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.089 13.239 0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.462 12.590 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.134 10.817 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.298 10.447 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.822 10.243 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.134 11.113 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.867 11.941 1.772 1.00 0.00 H new ATOM 907 N ASP A 60 -8.192 14.262 1.040 1.00 0.00 N ATOM 908 CA ASP A 60 -7.516 13.668 -0.134 1.00 0.00 C ATOM 909 C ASP A 60 -6.186 13.043 0.308 1.00 0.00 C ATOM 910 O ASP A 60 -5.622 12.210 -0.373 1.00 0.00 O ATOM 911 CB ASP A 60 -7.299 14.769 -1.171 1.00 0.00 C ATOM 912 CG ASP A 60 -6.358 14.275 -2.272 1.00 0.00 C ATOM 913 OD1 ASP A 60 -6.583 13.185 -2.770 1.00 0.00 O ATOM 914 OD2 ASP A 60 -5.429 14.997 -2.598 1.00 0.00 O ATOM 0 H ASP A 60 -8.480 15.235 0.934 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.124 12.880 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.254 15.065 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.879 15.653 -0.692 1.00 0.00 H new ATOM 919 N PHE A 61 -5.697 13.418 1.462 1.00 0.00 N ATOM 920 CA PHE A 61 -4.425 12.823 1.966 1.00 0.00 C ATOM 921 C PHE A 61 -4.694 11.397 2.458 1.00 0.00 C ATOM 922 O PHE A 61 -4.245 10.427 1.879 1.00 0.00 O ATOM 923 CB PHE A 61 -3.875 13.662 3.133 1.00 0.00 C ATOM 924 CG PHE A 61 -2.405 13.362 3.322 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.476 13.933 2.454 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.973 12.514 4.351 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.110 13.662 2.606 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.606 12.241 4.506 1.00 0.00 C ATOM 929 CZ PHE A 61 0.327 12.815 3.631 1.00 0.00 C ATOM 0 H PHE A 61 -6.124 14.111 2.077 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.694 12.808 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.017 14.723 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.424 13.436 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.810 14.586 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.692 12.071 5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.607 14.107 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.272 11.589 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.380 12.604 3.748 1.00 0.00 H new ATOM 939 N ARG A 62 -5.432 11.275 3.531 1.00 0.00 N ATOM 940 CA ARG A 62 -5.742 9.932 4.090 1.00 0.00 C ATOM 941 C ARG A 62 -6.456 9.097 3.021 1.00 0.00 C ATOM 942 O ARG A 62 -6.378 7.885 3.004 1.00 0.00 O ATOM 943 CB ARG A 62 -6.628 10.088 5.349 1.00 0.00 C ATOM 944 CG ARG A 62 -7.500 11.364 5.259 1.00 0.00 C ATOM 945 CD ARG A 62 -6.850 12.604 5.957 1.00 0.00 C ATOM 946 NE ARG A 62 -5.471 12.310 6.484 1.00 0.00 N ATOM 947 CZ ARG A 62 -5.272 12.069 7.765 1.00 0.00 C ATOM 948 NH1 ARG A 62 -6.277 12.009 8.600 1.00 0.00 N ATOM 949 NH2 ARG A 62 -4.060 11.873 8.206 1.00 0.00 N ATOM 0 H ARG A 62 -5.835 12.058 4.046 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.822 9.423 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.268 9.213 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.998 10.135 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.682 11.599 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.471 11.166 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.796 13.430 5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.488 12.931 6.778 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.679 12.297 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.229 12.149 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.108 11.822 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.271 11.907 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.902 11.686 9.196 1.00 0.00 H new ATOM 963 N HIS A 63 -7.136 9.748 2.122 1.00 0.00 N ATOM 964 CA HIS A 63 -7.845 9.009 1.037 1.00 0.00 C ATOM 965 C HIS A 63 -6.820 8.234 0.217 1.00 0.00 C ATOM 966 O HIS A 63 -7.006 7.084 -0.082 1.00 0.00 O ATOM 967 CB HIS A 63 -8.587 10.012 0.130 1.00 0.00 C ATOM 968 CG HIS A 63 -9.774 9.347 -0.503 1.00 0.00 C ATOM 969 ND1 HIS A 63 -10.552 8.439 0.192 1.00 0.00 N ATOM 970 CD2 HIS A 63 -10.330 9.442 -1.753 1.00 0.00 C ATOM 971 CE1 HIS A 63 -11.523 8.026 -0.631 1.00 0.00 C ATOM 972 NE2 HIS A 63 -11.438 8.604 -1.833 1.00 0.00 N ATOM 0 H HIS A 63 -7.233 10.763 2.090 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.568 8.318 1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.910 10.874 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.914 10.385 -0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -9.964 10.070 -2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.284 7.311 -0.357 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.052 8.462 -2.635 1.00 0.00 H new ATOM 980 N GLY A 64 -5.733 8.846 -0.141 1.00 0.00 N ATOM 981 CA GLY A 64 -4.727 8.109 -0.946 1.00 0.00 C ATOM 982 C GLY A 64 -4.236 6.899 -0.152 1.00 0.00 C ATOM 983 O GLY A 64 -3.930 5.865 -0.712 1.00 0.00 O ATOM 0 H GLY A 64 -5.498 9.813 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.165 7.786 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.890 8.763 -1.190 1.00 0.00 H new ATOM 987 N PHE A 65 -4.186 7.002 1.148 1.00 0.00 N ATOM 988 CA PHE A 65 -3.747 5.831 1.961 1.00 0.00 C ATOM 989 C PHE A 65 -4.943 4.898 2.141 1.00 0.00 C ATOM 990 O PHE A 65 -4.829 3.694 2.035 1.00 0.00 O ATOM 991 CB PHE A 65 -3.264 6.292 3.336 1.00 0.00 C ATOM 992 CG PHE A 65 -1.965 7.045 3.202 1.00 0.00 C ATOM 993 CD1 PHE A 65 -0.746 6.359 3.211 1.00 0.00 C ATOM 994 CD2 PHE A 65 -1.984 8.436 3.087 1.00 0.00 C ATOM 995 CE1 PHE A 65 0.456 7.069 3.101 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.787 9.146 2.980 1.00 0.00 C ATOM 997 CZ PHE A 65 0.435 8.465 2.987 1.00 0.00 C ATOM 0 H PHE A 65 -4.428 7.838 1.679 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.929 5.320 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.017 6.929 3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.129 5.431 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.732 5.283 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.926 8.964 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.398 6.541 3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.804 10.222 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.361 9.015 2.905 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.096 5.453 2.399 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.308 4.608 2.573 1.00 0.00 C ATOM 1009 C ASP A 66 -7.676 4.009 1.219 1.00 0.00 C ATOM 1010 O ASP A 66 -7.930 2.827 1.098 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.466 5.465 3.094 1.00 0.00 C ATOM 1012 CG ASP A 66 -9.624 4.559 3.516 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -9.643 3.416 3.091 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -10.473 5.024 4.259 1.00 0.00 O ATOM 0 H ASP A 66 -6.249 6.457 2.497 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.111 3.813 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.135 6.067 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.796 6.158 2.320 1.00 0.00 H new ATOM 1019 N ILE A 67 -7.685 4.814 0.190 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.012 4.284 -1.160 1.00 0.00 C ATOM 1021 C ILE A 67 -7.063 3.114 -1.448 1.00 0.00 C ATOM 1022 O ILE A 67 -7.471 2.054 -1.877 1.00 0.00 O ATOM 1023 CB ILE A 67 -7.817 5.393 -2.214 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -8.971 6.421 -2.113 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -7.780 4.785 -3.625 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -10.336 5.795 -2.466 1.00 0.00 C ATOM 0 H ILE A 67 -7.480 5.813 0.228 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.048 3.948 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.869 5.897 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.009 6.825 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.771 7.257 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.642 5.578 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.953 4.078 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.718 4.267 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.116 6.552 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.309 5.414 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.549 4.976 -1.779 1.00 0.00 H new ATOM 1038 N LEU A 68 -5.794 3.306 -1.198 1.00 0.00 N ATOM 1039 CA LEU A 68 -4.797 2.220 -1.433 1.00 0.00 C ATOM 1040 C LEU A 68 -5.157 1.014 -0.555 1.00 0.00 C ATOM 1041 O LEU A 68 -5.189 -0.113 -1.004 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.397 2.760 -1.072 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.382 1.624 -0.848 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.321 0.709 -2.080 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.000 2.242 -0.611 1.00 0.00 C ATOM 0 H LEU A 68 -5.403 4.176 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.802 1.904 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.042 3.411 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.464 3.369 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.689 1.031 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.599 -0.089 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.305 0.275 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.016 1.290 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.270 1.449 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.711 2.831 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.035 2.886 0.268 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.429 1.249 0.696 1.00 0.00 N ATOM 1058 CA VAL A 69 -5.776 0.134 1.608 1.00 0.00 C ATOM 1059 C VAL A 69 -7.060 -0.550 1.136 1.00 0.00 C ATOM 1060 O VAL A 69 -7.322 -1.679 1.483 1.00 0.00 O ATOM 1061 CB VAL A 69 -5.993 0.705 3.012 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -6.605 -0.360 3.919 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -4.651 1.179 3.597 1.00 0.00 C ATOM 0 H VAL A 69 -5.425 2.174 1.126 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.969 -0.599 1.616 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.675 1.553 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.756 0.054 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.563 -0.680 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.933 -1.216 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.812 1.584 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.961 0.337 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.227 1.952 2.956 1.00 0.00 H new ATOM 1073 N GLY A 70 -7.867 0.123 0.366 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.141 -0.500 -0.092 1.00 0.00 C ATOM 1075 C GLY A 70 -8.874 -1.494 -1.222 1.00 0.00 C ATOM 1076 O GLY A 70 -9.331 -2.619 -1.181 1.00 0.00 O ATOM 0 H GLY A 70 -7.702 1.073 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.624 -1.009 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.828 0.273 -0.435 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.137 -1.111 -2.229 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.873 -2.079 -3.324 1.00 0.00 C ATOM 1082 C GLN A 71 -6.999 -3.191 -2.753 1.00 0.00 C ATOM 1083 O GLN A 71 -7.078 -4.332 -3.162 1.00 0.00 O ATOM 1084 CB GLN A 71 -7.225 -1.357 -4.523 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.703 -1.260 -4.367 1.00 0.00 C ATOM 1086 CD GLN A 71 -5.052 -2.563 -4.824 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.850 -2.634 -4.946 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.805 -3.597 -5.089 1.00 0.00 N ATOM 0 H GLN A 71 -7.715 -0.189 -2.338 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.795 -2.521 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.464 -1.891 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.646 -0.356 -4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.320 -0.426 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.447 -1.060 -3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.817 -3.531 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.381 -4.471 -5.401 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.218 -2.882 -1.758 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.408 -3.940 -1.107 1.00 0.00 C ATOM 1099 C ILE A 72 -6.370 -4.773 -0.250 1.00 0.00 C ATOM 1100 O ILE A 72 -6.199 -5.964 -0.078 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.306 -3.294 -0.231 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.049 -3.068 -1.076 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -3.948 -4.201 0.955 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.071 -2.167 -0.318 1.00 0.00 C ATOM 0 H ILE A 72 -6.107 -1.945 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.912 -4.572 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.684 -2.345 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.576 -4.023 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.317 -2.610 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.172 -3.726 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.834 -4.363 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.584 -5.159 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.178 -2.009 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.545 -1.207 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.792 -2.642 0.622 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.381 -4.140 0.294 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.354 -4.883 1.148 1.00 0.00 C ATOM 1118 C ASP A 73 -9.021 -5.991 0.327 1.00 0.00 C ATOM 1119 O ASP A 73 -9.027 -7.146 0.705 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.429 -3.928 1.677 1.00 0.00 C ATOM 1121 CG ASP A 73 -10.338 -4.677 2.653 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -10.018 -5.809 2.977 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -11.337 -4.108 3.059 1.00 0.00 O ATOM 0 H ASP A 73 -7.572 -3.144 0.183 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.819 -5.322 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.963 -3.078 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.016 -3.529 0.850 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.590 -5.638 -0.796 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.270 -6.655 -1.649 1.00 0.00 C ATOM 1130 C ASP A 74 -9.249 -7.666 -2.159 1.00 0.00 C ATOM 1131 O ASP A 74 -9.558 -8.817 -2.356 1.00 0.00 O ATOM 1132 CB ASP A 74 -10.937 -5.959 -2.841 1.00 0.00 C ATOM 1133 CG ASP A 74 -12.218 -5.264 -2.377 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -12.527 -5.358 -1.201 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -12.869 -4.651 -3.207 1.00 0.00 O ATOM 0 H ASP A 74 -9.613 -4.685 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.026 -7.172 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.254 -5.231 -3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.167 -6.688 -3.618 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.031 -7.265 -2.374 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.031 -8.246 -2.857 1.00 0.00 C ATOM 1142 C ALA A 75 -6.713 -9.192 -1.706 1.00 0.00 C ATOM 1143 O ALA A 75 -6.448 -10.360 -1.904 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.766 -7.524 -3.330 1.00 0.00 C ATOM 0 H ALA A 75 -7.689 -6.314 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.425 -8.808 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.039 -8.256 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.018 -6.843 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.339 -6.958 -2.502 1.00 0.00 H new ATOM 1150 N LEU A 76 -6.774 -8.706 -0.495 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.518 -9.584 0.664 1.00 0.00 C ATOM 1152 C LEU A 76 -7.513 -10.746 0.556 1.00 0.00 C ATOM 1153 O LEU A 76 -7.229 -11.874 0.908 1.00 0.00 O ATOM 1154 CB LEU A 76 -6.763 -8.754 1.952 1.00 0.00 C ATOM 1155 CG LEU A 76 -5.676 -9.023 3.045 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.073 -7.698 3.542 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -6.301 -9.756 4.242 1.00 0.00 C ATOM 0 H LEU A 76 -6.991 -7.736 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.499 -9.971 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.770 -7.693 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.747 -8.993 2.354 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.893 -9.637 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.319 -7.904 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.612 -7.172 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.860 -7.078 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.536 -9.938 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.094 -9.143 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.717 -10.707 3.910 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.676 -10.452 0.041 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.715 -11.482 -0.140 1.00 0.00 C ATOM 1171 C LYS A 77 -9.261 -12.484 -1.197 1.00 0.00 C ATOM 1172 O LYS A 77 -9.417 -13.681 -1.052 1.00 0.00 O ATOM 1173 CB LYS A 77 -10.991 -10.795 -0.626 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.166 -11.756 -0.471 1.00 0.00 C ATOM 1175 CD LYS A 77 -12.677 -11.749 0.995 1.00 0.00 C ATOM 1176 CE LYS A 77 -12.977 -13.181 1.464 1.00 0.00 C ATOM 1177 NZ LYS A 77 -13.754 -13.133 2.733 1.00 0.00 N ATOM 0 H LYS A 77 -8.947 -9.518 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.893 -12.003 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.171 -9.886 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.884 -10.497 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.972 -11.468 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.860 -12.764 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.929 -11.296 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.577 -11.139 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.541 -13.715 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.047 -13.729 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.958 -14.102 3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.200 -12.638 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.648 -12.626 2.574 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.710 -11.994 -2.270 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.253 -12.901 -3.350 1.00 0.00 C ATOM 1193 C LEU A 78 -7.208 -13.842 -2.760 1.00 0.00 C ATOM 1194 O LEU A 78 -7.092 -14.992 -3.144 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.653 -12.045 -4.485 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.734 -11.745 -5.534 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.948 -11.083 -4.860 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.155 -10.803 -6.597 1.00 0.00 C ATOM 0 H LEU A 78 -8.557 -11.001 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.074 -13.490 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.257 -11.114 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.819 -12.572 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.054 -12.675 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.711 -10.873 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.356 -11.755 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.638 -10.151 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.918 -10.586 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.835 -9.874 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.300 -11.279 -7.078 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.466 -13.365 -1.807 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.443 -14.216 -1.156 1.00 0.00 C ATOM 1212 C ALA A 79 -6.134 -15.376 -0.429 1.00 0.00 C ATOM 1213 O ALA A 79 -5.823 -16.530 -0.644 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.659 -13.372 -0.143 1.00 0.00 C ATOM 0 H ALA A 79 -6.526 -12.412 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.762 -14.614 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.904 -13.992 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.173 -12.544 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.342 -12.980 0.610 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.055 -15.070 0.447 1.00 0.00 N ATOM 1221 CA ASN A 80 -7.750 -16.145 1.211 1.00 0.00 C ATOM 1222 C ASN A 80 -8.745 -16.910 0.327 1.00 0.00 C ATOM 1223 O ASN A 80 -9.265 -17.932 0.726 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.486 -15.527 2.413 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.546 -16.563 3.531 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -7.426 -17.001 4.031 1.00 0.00 O flip ATOM 1227 ND2 ASN A 80 -9.610 -16.975 3.949 1.00 0.00 N flip ATOM 0 H ASN A 80 -7.356 -14.120 0.666 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.000 -16.854 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.967 -14.631 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.492 -15.222 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.483 -16.627 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.630 -17.669 4.697 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.027 -16.434 -0.857 1.00 0.00 N ATOM 1235 CA GLU A 81 -10.003 -17.159 -1.731 1.00 0.00 C ATOM 1236 C GLU A 81 -9.251 -18.135 -2.640 1.00 0.00 C ATOM 1237 O GLU A 81 -9.844 -18.981 -3.280 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.771 -16.149 -2.586 1.00 0.00 C ATOM 1239 CG GLU A 81 -11.866 -15.490 -1.746 1.00 0.00 C ATOM 1240 CD GLU A 81 -12.589 -14.438 -2.588 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -11.942 -13.487 -2.994 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.777 -14.603 -2.814 1.00 0.00 O ATOM 0 H GLU A 81 -8.630 -15.583 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.705 -17.714 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.089 -15.391 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.212 -16.649 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.574 -16.242 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.431 -15.027 -0.860 1.00 0.00 H new ATOM 1249 N GLY A 82 -7.948 -18.040 -2.689 1.00 0.00 N ATOM 1250 CA GLY A 82 -7.156 -18.981 -3.541 1.00 0.00 C ATOM 1251 C GLY A 82 -6.851 -18.341 -4.896 1.00 0.00 C ATOM 1252 O GLY A 82 -6.405 -19.004 -5.811 1.00 0.00 O ATOM 0 H GLY A 82 -7.396 -17.352 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.226 -19.243 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.712 -19.907 -3.686 1.00 0.00 H new ATOM 1256 N LYS A 83 -7.071 -17.058 -5.036 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.771 -16.385 -6.340 1.00 0.00 C ATOM 1258 C LYS A 83 -5.357 -15.806 -6.259 1.00 0.00 C ATOM 1259 O LYS A 83 -5.152 -14.645 -5.961 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.784 -15.269 -6.627 1.00 0.00 C ATOM 1261 CG LYS A 83 -9.181 -15.677 -6.171 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.537 -17.064 -6.729 1.00 0.00 C ATOM 1263 CE LYS A 83 -11.057 -17.255 -6.712 1.00 0.00 C ATOM 1264 NZ LYS A 83 -11.701 -16.201 -7.547 1.00 0.00 N ATOM 0 H LYS A 83 -7.444 -16.448 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.841 -17.109 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.481 -14.356 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.795 -15.047 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.226 -15.692 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.911 -14.942 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.160 -17.165 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.057 -17.840 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.314 -18.243 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.429 -17.201 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.582 -16.572 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.915 -15.373 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.055 -15.922 -8.313 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.390 -16.632 -6.500 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.962 -16.205 -6.428 1.00 0.00 C ATOM 1280 C VAL A 84 -2.596 -15.400 -7.671 1.00 0.00 C ATOM 1281 O VAL A 84 -2.229 -14.249 -7.576 1.00 0.00 O ATOM 1282 CB VAL A 84 -2.069 -17.449 -6.321 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.629 -17.032 -6.022 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.584 -18.341 -5.189 1.00 0.00 C ATOM 0 H VAL A 84 -4.526 -17.611 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.812 -15.576 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.095 -17.994 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.001 -17.920 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.261 -16.394 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.597 -16.485 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.954 -19.227 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.557 -17.789 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.609 -18.644 -5.402 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.700 -15.979 -8.836 1.00 0.00 N ATOM 1295 CA LYS A 85 -2.351 -15.211 -10.066 1.00 0.00 C ATOM 1296 C LYS A 85 -3.064 -13.858 -10.030 1.00 0.00 C ATOM 1297 O LYS A 85 -2.516 -12.844 -10.414 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.802 -15.988 -11.313 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.974 -17.293 -11.480 1.00 0.00 C ATOM 1300 CD LYS A 85 -2.774 -18.508 -10.984 1.00 0.00 C ATOM 1301 CE LYS A 85 -2.008 -19.791 -11.314 1.00 0.00 C ATOM 1302 NZ LYS A 85 -2.802 -20.972 -10.873 1.00 0.00 N ATOM 0 H LYS A 85 -3.008 -16.939 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.272 -15.063 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.861 -16.232 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.686 -15.363 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.707 -17.429 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.041 -17.212 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.937 -18.435 -9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.757 -18.527 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.817 -19.848 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.038 -19.786 -10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.281 -21.844 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.962 -20.919 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.717 -20.979 -11.367 1.00 0.00 H new ATOM 1316 N GLU A 86 -4.276 -13.833 -9.549 1.00 0.00 N ATOM 1317 CA GLU A 86 -5.024 -12.555 -9.462 1.00 0.00 C ATOM 1318 C GLU A 86 -4.357 -11.672 -8.420 1.00 0.00 C ATOM 1319 O GLU A 86 -4.129 -10.498 -8.635 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.470 -12.815 -9.037 1.00 0.00 C ATOM 1321 CG GLU A 86 -7.149 -13.754 -10.043 1.00 0.00 C ATOM 1322 CD GLU A 86 -6.553 -15.164 -9.952 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -5.913 -15.458 -8.956 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -6.752 -15.928 -10.881 1.00 0.00 O ATOM 0 H GLU A 86 -4.781 -14.652 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.021 -12.069 -10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.492 -13.258 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.016 -11.873 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.220 -13.793 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.024 -13.365 -11.054 1.00 0.00 H new ATOM 1331 N ALA A 87 -4.044 -12.231 -7.281 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.395 -11.410 -6.224 1.00 0.00 C ATOM 1333 C ALA A 87 -2.006 -10.988 -6.705 1.00 0.00 C ATOM 1334 O ALA A 87 -1.607 -9.847 -6.590 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.270 -12.232 -4.940 1.00 0.00 C ATOM 0 H ALA A 87 -4.208 -13.209 -7.041 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.998 -10.525 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.794 -11.629 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.262 -12.536 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.665 -13.118 -5.133 1.00 0.00 H new ATOM 1341 N GLN A 88 -1.279 -11.914 -7.253 1.00 0.00 N ATOM 1342 CA GLN A 88 0.080 -11.628 -7.769 1.00 0.00 C ATOM 1343 C GLN A 88 -0.024 -10.588 -8.899 1.00 0.00 C ATOM 1344 O GLN A 88 0.556 -9.521 -8.832 1.00 0.00 O ATOM 1345 CB GLN A 88 0.664 -12.982 -8.250 1.00 0.00 C ATOM 1346 CG GLN A 88 1.406 -12.865 -9.583 1.00 0.00 C ATOM 1347 CD GLN A 88 2.334 -14.072 -9.755 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.444 -13.937 -10.230 1.00 0.00 O ATOM 1349 NE2 GLN A 88 1.920 -15.258 -9.386 1.00 0.00 N ATOM 0 H GLN A 88 -1.579 -12.882 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 88 0.741 -11.204 -7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.345 -13.369 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.144 -13.706 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.693 -12.820 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.984 -11.941 -9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.988 -15.372 -8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.529 -16.068 -9.497 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.755 -10.891 -9.932 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.886 -9.919 -11.054 1.00 0.00 C ATOM 1360 C ALA A 89 -1.342 -8.572 -10.489 1.00 0.00 C ATOM 1361 O ALA A 89 -0.894 -7.523 -10.912 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.918 -10.431 -12.059 1.00 0.00 C ATOM 0 H ALA A 89 -1.266 -11.766 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 89 0.074 -9.803 -11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.012 -9.719 -12.879 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.596 -11.396 -12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.883 -10.544 -11.564 1.00 0.00 H new ATOM 1368 N ALA A 90 -2.204 -8.589 -9.511 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.644 -7.303 -8.910 1.00 0.00 C ATOM 1370 C ALA A 90 -1.416 -6.652 -8.282 1.00 0.00 C ATOM 1371 O ALA A 90 -1.253 -5.455 -8.314 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.702 -7.566 -7.835 1.00 0.00 C ATOM 0 H ALA A 90 -2.618 -9.429 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.082 -6.652 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.020 -6.619 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.561 -8.065 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.279 -8.201 -7.056 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.528 -7.445 -7.740 1.00 0.00 N ATOM 1379 CA ALA A 91 0.712 -6.877 -7.132 1.00 0.00 C ATOM 1380 C ALA A 91 1.326 -5.886 -8.126 1.00 0.00 C ATOM 1381 O ALA A 91 1.750 -4.808 -7.762 1.00 0.00 O ATOM 1382 CB ALA A 91 1.706 -8.007 -6.843 1.00 0.00 C ATOM 0 H ALA A 91 -0.608 -8.461 -7.692 1.00 0.00 H new ATOM 0 HA ALA A 91 0.476 -6.369 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.611 -7.591 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.256 -8.719 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.959 -8.516 -7.773 1.00 0.00 H new ATOM 1388 N GLU A 92 1.344 -6.231 -9.384 1.00 0.00 N ATOM 1389 CA GLU A 92 1.892 -5.292 -10.397 1.00 0.00 C ATOM 1390 C GLU A 92 0.976 -4.065 -10.440 1.00 0.00 C ATOM 1391 O GLU A 92 1.399 -2.969 -10.750 1.00 0.00 O ATOM 1392 CB GLU A 92 1.941 -5.988 -11.769 1.00 0.00 C ATOM 1393 CG GLU A 92 3.271 -6.762 -11.921 1.00 0.00 C ATOM 1394 CD GLU A 92 3.070 -7.994 -12.811 1.00 0.00 C ATOM 1395 OE1 GLU A 92 2.440 -7.855 -13.846 1.00 0.00 O ATOM 1396 OE2 GLU A 92 3.549 -9.053 -12.440 1.00 0.00 O ATOM 0 H GLU A 92 1.004 -7.120 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 92 2.906 -4.985 -10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.099 -6.672 -11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.848 -5.249 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.031 -6.112 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.636 -7.069 -10.941 1.00 0.00 H new ATOM 1403 N GLN A 93 -0.273 -4.236 -10.086 1.00 0.00 N ATOM 1404 CA GLN A 93 -1.205 -3.078 -10.056 1.00 0.00 C ATOM 1405 C GLN A 93 -0.824 -2.245 -8.836 1.00 0.00 C ATOM 1406 O GLN A 93 -0.798 -1.030 -8.875 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.660 -3.583 -9.921 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.687 -2.480 -10.296 1.00 0.00 C ATOM 1409 CD GLN A 93 -4.257 -1.802 -9.033 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -3.485 -1.583 -7.999 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 -5.425 -1.469 -8.991 1.00 0.00 N flip ATOM 0 H GLN A 93 -0.684 -5.130 -9.817 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.137 -2.488 -10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.806 -4.450 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.837 -3.913 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.209 -1.733 -10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.500 -2.917 -10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.032 -1.637 -9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.798 -1.022 -8.154 1.00 0.00 H new ATOM 1420 N LEU A 94 -0.503 -2.906 -7.752 1.00 0.00 N ATOM 1421 CA LEU A 94 -0.094 -2.176 -6.523 1.00 0.00 C ATOM 1422 C LEU A 94 1.189 -1.407 -6.851 1.00 0.00 C ATOM 1423 O LEU A 94 1.361 -0.261 -6.489 1.00 0.00 O ATOM 1424 CB LEU A 94 0.198 -3.180 -5.397 1.00 0.00 C ATOM 1425 CG LEU A 94 -1.101 -3.614 -4.694 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -2.023 -4.342 -5.670 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.766 -4.573 -3.552 1.00 0.00 C ATOM 0 H LEU A 94 -0.508 -3.923 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.886 -1.501 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.704 -4.054 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.876 -2.731 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.600 -2.722 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.936 -4.641 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.274 -3.678 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.518 -5.227 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.685 -4.881 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.258 -5.451 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.115 -4.072 -2.835 1.00 0.00 H new ATOM 1439 N LYS A 95 2.088 -2.047 -7.547 1.00 0.00 N ATOM 1440 CA LYS A 95 3.363 -1.384 -7.928 1.00 0.00 C ATOM 1441 C LYS A 95 3.050 -0.082 -8.667 1.00 0.00 C ATOM 1442 O LYS A 95 3.599 0.964 -8.373 1.00 0.00 O ATOM 1443 CB LYS A 95 4.161 -2.324 -8.845 1.00 0.00 C ATOM 1444 CG LYS A 95 4.711 -3.534 -8.041 1.00 0.00 C ATOM 1445 CD LYS A 95 6.121 -3.914 -8.528 1.00 0.00 C ATOM 1446 CE LYS A 95 7.123 -2.782 -8.215 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.435 -3.377 -7.839 1.00 0.00 N ATOM 0 H LYS A 95 1.991 -3.010 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 95 3.950 -1.161 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.524 -2.678 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.986 -1.779 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.741 -3.288 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.040 -4.386 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.443 -4.837 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.103 -4.105 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.240 -2.134 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.746 -2.161 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.113 -2.617 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.315 -3.978 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.794 -3.952 -8.628 1.00 0.00 H new ATOM 1461 N THR A 96 2.166 -0.136 -9.623 1.00 0.00 N ATOM 1462 CA THR A 96 1.817 1.101 -10.379 1.00 0.00 C ATOM 1463 C THR A 96 1.048 2.057 -9.467 1.00 0.00 C ATOM 1464 O THR A 96 1.152 3.265 -9.586 1.00 0.00 O ATOM 1465 CB THR A 96 0.952 0.742 -11.590 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.654 -0.174 -12.419 1.00 0.00 O ATOM 1467 CG2 THR A 96 0.638 2.012 -12.381 1.00 0.00 C ATOM 0 H THR A 96 1.671 -0.979 -9.914 1.00 0.00 H new ATOM 0 HA THR A 96 2.733 1.583 -10.722 1.00 0.00 H new ATOM 0 HB THR A 96 0.022 0.284 -11.253 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.643 -1.063 -12.007 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.022 1.760 -13.244 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.100 2.714 -11.744 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.568 2.469 -12.720 1.00 0.00 H new ATOM 1475 N THR A 97 0.281 1.534 -8.551 1.00 0.00 N ATOM 1476 CA THR A 97 -0.480 2.426 -7.637 1.00 0.00 C ATOM 1477 C THR A 97 0.517 3.279 -6.852 1.00 0.00 C ATOM 1478 O THR A 97 0.381 4.483 -6.755 1.00 0.00 O ATOM 1479 CB THR A 97 -1.312 1.586 -6.663 1.00 0.00 C ATOM 1480 OG1 THR A 97 -2.440 1.055 -7.344 1.00 0.00 O ATOM 1481 CG2 THR A 97 -1.789 2.453 -5.489 1.00 0.00 C ATOM 0 H THR A 97 0.150 0.534 -8.397 1.00 0.00 H new ATOM 0 HA THR A 97 -1.150 3.063 -8.214 1.00 0.00 H new ATOM 0 HB THR A 97 -0.695 0.774 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.398 0.076 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.379 1.845 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.925 2.859 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.401 3.272 -5.867 1.00 0.00 H new ATOM 1489 N ILE A 98 1.524 2.661 -6.299 1.00 0.00 N ATOM 1490 CA ILE A 98 2.535 3.430 -5.531 1.00 0.00 C ATOM 1491 C ILE A 98 3.013 4.586 -6.397 1.00 0.00 C ATOM 1492 O ILE A 98 3.274 5.671 -5.918 1.00 0.00 O ATOM 1493 CB ILE A 98 3.722 2.525 -5.220 1.00 0.00 C ATOM 1494 CG1 ILE A 98 3.294 1.428 -4.243 1.00 0.00 C ATOM 1495 CG2 ILE A 98 4.859 3.350 -4.601 1.00 0.00 C ATOM 1496 CD1 ILE A 98 4.416 0.391 -4.110 1.00 0.00 C ATOM 0 H ILE A 98 1.688 1.655 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 98 2.102 3.800 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 98 4.073 2.068 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.069 1.862 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.381 0.948 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.704 2.698 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.171 4.124 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.511 3.815 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.109 -0.390 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.620 -0.052 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.318 0.876 -3.737 1.00 0.00 H new ATOM 1508 N ARG A 99 3.131 4.360 -7.676 1.00 0.00 N ATOM 1509 CA ARG A 99 3.595 5.448 -8.565 1.00 0.00 C ATOM 1510 C ARG A 99 2.704 6.674 -8.331 1.00 0.00 C ATOM 1511 O ARG A 99 3.171 7.793 -8.221 1.00 0.00 O ATOM 1512 CB ARG A 99 3.492 4.997 -10.029 1.00 0.00 C ATOM 1513 CG ARG A 99 4.460 5.825 -10.890 1.00 0.00 C ATOM 1514 CD ARG A 99 5.923 5.406 -10.635 1.00 0.00 C ATOM 1515 NE ARG A 99 6.680 5.486 -11.914 1.00 0.00 N ATOM 1516 CZ ARG A 99 6.597 4.518 -12.787 1.00 0.00 C ATOM 1517 NH1 ARG A 99 5.839 3.482 -12.541 1.00 0.00 N ATOM 1518 NH2 ARG A 99 7.265 4.585 -13.905 1.00 0.00 N ATOM 0 H ARG A 99 2.926 3.473 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 99 4.634 5.696 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.731 3.937 -10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.471 5.123 -10.388 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.219 5.693 -11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.337 6.884 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.376 6.057 -9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.960 4.391 -10.238 1.00 0.00 H new ATOM 0 HE ARG A 99 7.265 6.299 -12.109 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.313 3.430 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.773 2.725 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.854 5.395 -14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.198 3.828 -14.585 1.00 0.00 H new ATOM 1532 N ALA A 100 1.420 6.462 -8.237 1.00 0.00 N ATOM 1533 CA ALA A 100 0.497 7.602 -7.991 1.00 0.00 C ATOM 1534 C ALA A 100 0.798 8.200 -6.617 1.00 0.00 C ATOM 1535 O ALA A 100 0.755 9.392 -6.421 1.00 0.00 O ATOM 1536 CB ALA A 100 -0.951 7.110 -8.029 1.00 0.00 C ATOM 0 H ALA A 100 0.972 5.549 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 100 0.637 8.360 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.625 7.948 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.163 6.678 -9.007 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.098 6.353 -7.259 1.00 0.00 H new ATOM 1542 N TYR A 101 1.125 7.391 -5.657 1.00 0.00 N ATOM 1543 CA TYR A 101 1.435 7.953 -4.315 1.00 0.00 C ATOM 1544 C TYR A 101 2.708 8.787 -4.440 1.00 0.00 C ATOM 1545 O TYR A 101 2.928 9.724 -3.700 1.00 0.00 O ATOM 1546 CB TYR A 101 1.644 6.799 -3.317 1.00 0.00 C ATOM 1547 CG TYR A 101 2.565 7.203 -2.185 1.00 0.00 C ATOM 1548 CD1 TYR A 101 3.947 7.175 -2.388 1.00 0.00 C ATOM 1549 CD2 TYR A 101 2.045 7.597 -0.950 1.00 0.00 C ATOM 1550 CE1 TYR A 101 4.814 7.543 -1.357 1.00 0.00 C ATOM 1551 CE2 TYR A 101 2.913 7.966 0.086 1.00 0.00 C ATOM 1552 CZ TYR A 101 4.298 7.939 -0.118 1.00 0.00 C ATOM 1553 OH TYR A 101 5.154 8.302 0.903 1.00 0.00 O ATOM 0 H TYR A 101 1.192 6.376 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 101 0.617 8.577 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.681 6.489 -2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.062 5.938 -3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.345 6.868 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.977 7.617 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.882 7.522 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.514 8.271 1.042 1.00 0.00 H new ATOM 0 HH TYR A 101 4.632 8.551 1.694 1.00 0.00 H new ATOM 1563 N ASN A 102 3.554 8.446 -5.364 1.00 0.00 N ATOM 1564 CA ASN A 102 4.811 9.222 -5.516 1.00 0.00 C ATOM 1565 C ASN A 102 4.496 10.649 -5.989 1.00 0.00 C ATOM 1566 O ASN A 102 5.178 11.580 -5.607 1.00 0.00 O ATOM 1567 CB ASN A 102 5.787 8.484 -6.462 1.00 0.00 C ATOM 1568 CG ASN A 102 6.592 9.457 -7.343 1.00 0.00 C ATOM 1569 OD1 ASN A 102 6.984 10.602 -6.855 1.00 0.00 O flip ATOM 1570 ND2 ASN A 102 6.867 9.163 -8.488 1.00 0.00 N flip ATOM 0 H ASN A 102 3.433 7.671 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 102 5.308 9.306 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.474 7.878 -5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.226 7.800 -7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.562 8.269 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.403 9.810 -9.066 1.00 0.00 H new ATOM 1577 N GLN A 103 3.463 10.870 -6.770 1.00 0.00 N ATOM 1578 CA GLN A 103 3.192 12.280 -7.151 1.00 0.00 C ATOM 1579 C GLN A 103 2.788 12.958 -5.856 1.00 0.00 C ATOM 1580 O GLN A 103 2.896 14.156 -5.689 1.00 0.00 O ATOM 1581 CB GLN A 103 2.088 12.384 -8.235 1.00 0.00 C ATOM 1582 CG GLN A 103 0.679 12.302 -7.629 1.00 0.00 C ATOM 1583 CD GLN A 103 0.294 13.624 -6.970 1.00 0.00 C ATOM 1584 OE1 GLN A 103 0.245 13.668 -5.669 1.00 0.00 O flip ATOM 1585 NE2 GLN A 103 0.043 14.610 -7.632 1.00 0.00 N flip ATOM 0 H GLN A 103 2.826 10.166 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 103 4.063 12.756 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.197 13.325 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.217 11.583 -8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.043 12.055 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.641 11.499 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.084 14.565 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.209 15.484 -7.170 1.00 0.00 H new ATOM 1594 N LYS A 104 2.366 12.158 -4.913 1.00 0.00 N ATOM 1595 CA LYS A 104 1.997 12.691 -3.576 1.00 0.00 C ATOM 1596 C LYS A 104 3.299 12.888 -2.778 1.00 0.00 C ATOM 1597 O LYS A 104 3.433 13.835 -2.028 1.00 0.00 O ATOM 1598 CB LYS A 104 1.007 11.706 -2.886 1.00 0.00 C ATOM 1599 CG LYS A 104 1.509 11.262 -1.509 1.00 0.00 C ATOM 1600 CD LYS A 104 0.423 10.450 -0.790 1.00 0.00 C ATOM 1601 CE LYS A 104 -0.573 11.381 -0.068 1.00 0.00 C ATOM 1602 NZ LYS A 104 -1.938 10.786 -0.130 1.00 0.00 N ATOM 0 H LYS A 104 2.261 11.149 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 104 1.487 13.652 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.033 12.185 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.865 10.831 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.411 10.661 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.777 12.134 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.110 9.830 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 104 0.885 9.776 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.271 11.520 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.572 12.366 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.421 10.929 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.483 11.246 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.864 9.767 -0.327 1.00 0.00 H new ATOM 1616 N TYR A 105 4.268 12.009 -2.944 1.00 0.00 N ATOM 1617 CA TYR A 105 5.558 12.163 -2.204 1.00 0.00 C ATOM 1618 C TYR A 105 6.549 12.911 -3.105 1.00 0.00 C ATOM 1619 O TYR A 105 7.712 13.055 -2.785 1.00 0.00 O ATOM 1620 CB TYR A 105 6.071 10.758 -1.759 1.00 0.00 C ATOM 1621 CG TYR A 105 7.515 10.516 -2.166 1.00 0.00 C ATOM 1622 CD1 TYR A 105 7.843 10.469 -3.519 1.00 0.00 C ATOM 1623 CD2 TYR A 105 8.509 10.324 -1.196 1.00 0.00 C ATOM 1624 CE1 TYR A 105 9.164 10.233 -3.917 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.834 10.090 -1.590 1.00 0.00 C ATOM 1626 CZ TYR A 105 10.161 10.044 -2.953 1.00 0.00 C ATOM 1627 OH TYR A 105 11.466 9.810 -3.344 1.00 0.00 O ATOM 0 H TYR A 105 4.216 11.197 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 105 5.430 12.751 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.981 10.667 -0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.438 9.987 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.075 10.615 -4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.254 10.356 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.414 10.197 -4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.602 9.945 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 105 12.031 9.702 -2.550 1.00 0.00 H new ATOM 1637 N GLY A 106 6.091 13.386 -4.233 1.00 0.00 N ATOM 1638 CA GLY A 106 6.995 14.123 -5.161 1.00 0.00 C ATOM 1639 C GLY A 106 7.071 15.594 -4.744 1.00 0.00 C ATOM 1640 O GLY A 106 6.659 16.434 -5.530 1.00 0.00 O ATOM 1641 OXT GLY A 106 7.539 15.857 -3.649 1.00 0.00 O ATOM 0 H GLY A 106 5.126 13.294 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.990 13.678 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.626 14.043 -6.184 1.00 0.00 H new