USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 HIS : no HD1:sc= -1.33 K(o=-3.1,f=-4.1!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.77 K(o=-3.1,f=-0.58) USER MOD Set 2.1: A 30 SER OG : rot -17:sc= 1.13 USER MOD Set 2.2: A 33 THR OG1 : rot 67:sc= 1.51 USER MOD Set 3.1: A 14 ASN : amide:sc= -1.64! K(o=-1.6!,f=0.58) USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 10 SER OG : rot 180:sc= -0.0817 USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -111:sc= -1.03 (180deg=-2.48!) USER MOD Single : A 4 THR OG1 : rot 38:sc= 0.455 USER MOD Single : A 8 ASN : amide:sc= -2.65! C(o=-2.7!,f=-4.5!) USER MOD Single : A 12 SER OG : rot -19:sc= 0.291 USER MOD Single : A 20 SER OG : rot 180:sc=-0.000468 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 22 SER OG : rot -53:sc= 0.322 USER MOD Single : A 23 SER OG : rot 90:sc= 0.153 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.687 (180deg=-2.73) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-0.73) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.226 USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.428 (180deg=-1.14) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.0227 (180deg=-0.316) USER MOD Single : A 71 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.5!) USER MOD Single : A 72 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 76 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.692 5.123 13.085 1.00 0.00 N ATOM 2 CA ALA A 1 7.021 5.263 12.426 1.00 0.00 C ATOM 3 C ALA A 1 6.830 5.456 10.919 1.00 0.00 C ATOM 4 O ALA A 1 6.067 4.757 10.282 1.00 0.00 O ATOM 5 CB ALA A 1 7.857 4.007 12.690 1.00 0.00 C ATOM 0 H1 ALA A 1 5.824 4.992 14.108 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.128 5.980 12.916 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.195 4.299 12.692 1.00 0.00 H new ATOM 0 HA ALA A 1 7.540 6.131 12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.829 4.109 12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.996 3.881 13.764 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.342 3.135 12.286 1.00 0.00 H new ATOM 13 N GLU A 2 7.510 6.413 10.347 1.00 0.00 N ATOM 14 CA GLU A 2 7.362 6.669 8.887 1.00 0.00 C ATOM 15 C GLU A 2 8.206 5.675 8.088 1.00 0.00 C ATOM 16 O GLU A 2 9.392 5.530 8.308 1.00 0.00 O ATOM 17 CB GLU A 2 7.816 8.094 8.579 1.00 0.00 C ATOM 18 CG GLU A 2 6.815 9.079 9.187 1.00 0.00 C ATOM 19 CD GLU A 2 7.263 10.512 8.904 1.00 0.00 C ATOM 20 OE1 GLU A 2 8.015 11.045 9.702 1.00 0.00 O ATOM 21 OE2 GLU A 2 6.842 11.054 7.896 1.00 0.00 O ATOM 0 H GLU A 2 8.163 7.030 10.830 1.00 0.00 H new ATOM 0 HA GLU A 2 6.316 6.546 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.811 8.269 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.883 8.243 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.823 8.909 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.739 8.917 10.262 1.00 0.00 H new ATOM 28 N LYS A 3 7.596 4.993 7.155 1.00 0.00 N ATOM 29 CA LYS A 3 8.346 4.006 6.325 1.00 0.00 C ATOM 30 C LYS A 3 7.812 4.049 4.896 1.00 0.00 C ATOM 31 O LYS A 3 6.701 4.480 4.661 1.00 0.00 O ATOM 32 CB LYS A 3 8.147 2.608 6.905 1.00 0.00 C ATOM 33 CG LYS A 3 8.828 2.530 8.270 1.00 0.00 C ATOM 34 CD LYS A 3 8.716 1.105 8.815 1.00 0.00 C ATOM 35 CE LYS A 3 7.242 0.735 9.042 1.00 0.00 C ATOM 36 NZ LYS A 3 6.706 0.093 7.809 1.00 0.00 N ATOM 0 H LYS A 3 6.604 5.078 6.931 1.00 0.00 H new ATOM 0 HA LYS A 3 9.408 4.250 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.084 2.390 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.566 1.859 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.876 2.816 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.363 3.233 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.170 0.404 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.267 1.022 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.151 0.056 9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.663 1.626 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.014 0.726 7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.486 -0.092 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.243 -0.805 8.058 1.00 0.00 H new ATOM 50 N THR A 4 8.596 3.613 3.939 1.00 0.00 N ATOM 51 CA THR A 4 8.140 3.629 2.513 1.00 0.00 C ATOM 52 C THR A 4 8.177 2.207 1.950 1.00 0.00 C ATOM 53 O THR A 4 9.189 1.534 1.994 1.00 0.00 O ATOM 54 CB THR A 4 9.072 4.531 1.707 1.00 0.00 C ATOM 55 OG1 THR A 4 10.387 3.993 1.729 1.00 0.00 O ATOM 56 CG2 THR A 4 9.076 5.929 2.328 1.00 0.00 C ATOM 0 H THR A 4 9.536 3.245 4.085 1.00 0.00 H new ATOM 0 HA THR A 4 7.120 4.009 2.452 1.00 0.00 H new ATOM 0 HB THR A 4 8.727 4.591 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.341 3.015 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.740 6.579 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.066 6.338 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.426 5.868 3.359 1.00 0.00 H new ATOM 64 N GLY A 5 7.066 1.751 1.426 1.00 0.00 N ATOM 65 CA GLY A 5 6.994 0.371 0.855 1.00 0.00 C ATOM 66 C GLY A 5 7.048 0.439 -0.672 1.00 0.00 C ATOM 67 O GLY A 5 6.410 1.271 -1.290 1.00 0.00 O ATOM 0 H GLY A 5 6.197 2.282 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.821 -0.232 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.073 -0.117 1.174 1.00 0.00 H new ATOM 71 N ILE A 6 7.801 -0.438 -1.290 1.00 0.00 N ATOM 72 CA ILE A 6 7.893 -0.434 -2.780 1.00 0.00 C ATOM 73 C ILE A 6 6.898 -1.446 -3.355 1.00 0.00 C ATOM 74 O ILE A 6 6.952 -2.625 -3.066 1.00 0.00 O ATOM 75 CB ILE A 6 9.317 -0.804 -3.191 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.312 -0.001 -2.343 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.528 -0.482 -4.671 1.00 0.00 C ATOM 78 CD1 ILE A 6 9.970 1.490 -2.393 1.00 0.00 C ATOM 0 H ILE A 6 8.356 -1.156 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 6 7.652 0.556 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 6 9.476 -1.870 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.288 -0.352 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.326 -0.161 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.545 -0.747 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.820 -1.052 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.370 0.584 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.684 2.048 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.018 1.840 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.964 1.646 -2.003 1.00 0.00 H new ATOM 90 N VAL A 7 5.981 -0.981 -4.158 1.00 0.00 N ATOM 91 CA VAL A 7 4.960 -1.888 -4.755 1.00 0.00 C ATOM 92 C VAL A 7 5.578 -2.713 -5.884 1.00 0.00 C ATOM 93 O VAL A 7 6.277 -2.196 -6.732 1.00 0.00 O ATOM 94 CB VAL A 7 3.810 -1.041 -5.299 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.838 -1.920 -6.093 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.070 -0.395 -4.126 1.00 0.00 C ATOM 0 H VAL A 7 5.895 -0.001 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 7 4.590 -2.573 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 7 4.209 -0.271 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.023 -1.307 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.365 -2.384 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.434 -2.695 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.247 0.212 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.676 -1.173 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.759 0.237 -3.565 1.00 0.00 H new ATOM 106 N ASN A 8 5.314 -3.998 -5.905 1.00 0.00 N ATOM 107 CA ASN A 8 5.873 -4.870 -6.981 1.00 0.00 C ATOM 108 C ASN A 8 4.801 -5.859 -7.441 1.00 0.00 C ATOM 109 O ASN A 8 4.565 -6.868 -6.808 1.00 0.00 O ATOM 110 CB ASN A 8 7.083 -5.633 -6.439 1.00 0.00 C ATOM 111 CG ASN A 8 6.753 -6.233 -5.070 1.00 0.00 C ATOM 112 OD1 ASN A 8 6.766 -5.540 -4.073 1.00 0.00 O ATOM 113 ND2 ASN A 8 6.460 -7.501 -4.979 1.00 0.00 N ATOM 0 H ASN A 8 4.733 -4.480 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 8 6.184 -4.256 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.365 -6.424 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.938 -4.963 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.242 -7.910 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.449 -8.083 -5.816 1.00 0.00 H new ATOM 120 N VAL A 9 4.152 -5.573 -8.546 1.00 0.00 N ATOM 121 CA VAL A 9 3.091 -6.491 -9.068 1.00 0.00 C ATOM 122 C VAL A 9 3.270 -6.681 -10.574 1.00 0.00 C ATOM 123 O VAL A 9 3.504 -5.742 -11.308 1.00 0.00 O ATOM 124 CB VAL A 9 1.704 -5.901 -8.790 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.368 -6.055 -7.305 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.687 -4.416 -9.162 1.00 0.00 C ATOM 0 H VAL A 9 4.313 -4.739 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 9 3.178 -7.455 -8.566 1.00 0.00 H new ATOM 0 HB VAL A 9 0.964 -6.432 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.381 -5.635 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.371 -7.112 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.112 -5.528 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.699 -4.002 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.430 -3.884 -8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.920 -4.303 -10.221 1.00 0.00 H new ATOM 136 N SER A 10 3.161 -7.897 -11.033 1.00 0.00 N ATOM 137 CA SER A 10 3.317 -8.169 -12.487 1.00 0.00 C ATOM 138 C SER A 10 2.221 -7.440 -13.267 1.00 0.00 C ATOM 139 O SER A 10 2.457 -6.893 -14.327 1.00 0.00 O ATOM 140 CB SER A 10 3.185 -9.673 -12.718 1.00 0.00 C ATOM 141 OG SER A 10 1.911 -10.100 -12.255 1.00 0.00 O ATOM 0 H SER A 10 2.969 -8.718 -10.459 1.00 0.00 H new ATOM 0 HA SER A 10 4.292 -7.819 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.297 -9.903 -13.778 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.976 -10.206 -12.190 1.00 0.00 H new ATOM 0 HG SER A 10 1.816 -11.064 -12.401 1.00 0.00 H new ATOM 147 N SER A 11 1.019 -7.437 -12.750 1.00 0.00 N ATOM 148 CA SER A 11 -0.111 -6.754 -13.451 1.00 0.00 C ATOM 149 C SER A 11 -0.389 -5.402 -12.794 1.00 0.00 C ATOM 150 O SER A 11 0.010 -4.366 -13.287 1.00 0.00 O ATOM 151 CB SER A 11 -1.361 -7.623 -13.342 1.00 0.00 C ATOM 152 OG SER A 11 -1.169 -8.820 -14.086 1.00 0.00 O ATOM 0 H SER A 11 0.770 -7.881 -11.866 1.00 0.00 H new ATOM 0 HA SER A 11 0.153 -6.601 -14.497 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.563 -7.859 -12.297 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.228 -7.082 -13.720 1.00 0.00 H new ATOM 0 HG SER A 11 -1.970 -9.381 -14.016 1.00 0.00 H new ATOM 158 N SER A 12 -1.077 -5.405 -11.686 1.00 0.00 N ATOM 159 CA SER A 12 -1.385 -4.119 -11.003 1.00 0.00 C ATOM 160 C SER A 12 -1.772 -4.390 -9.552 1.00 0.00 C ATOM 161 O SER A 12 -2.024 -5.516 -9.172 1.00 0.00 O ATOM 162 CB SER A 12 -2.550 -3.430 -11.709 1.00 0.00 C ATOM 163 OG SER A 12 -2.214 -3.226 -13.074 1.00 0.00 O ATOM 0 H SER A 12 -1.438 -6.240 -11.225 1.00 0.00 H new ATOM 0 HA SER A 12 -0.505 -3.477 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.450 -4.040 -11.631 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.769 -2.476 -11.229 1.00 0.00 H new ATOM 0 HG SER A 12 -1.241 -3.279 -13.183 1.00 0.00 H new ATOM 169 N LEU A 13 -1.822 -3.361 -8.738 1.00 0.00 N ATOM 170 CA LEU A 13 -2.194 -3.539 -7.298 1.00 0.00 C ATOM 171 C LEU A 13 -3.490 -2.784 -7.001 1.00 0.00 C ATOM 172 O LEU A 13 -3.635 -1.620 -7.323 1.00 0.00 O ATOM 173 CB LEU A 13 -1.064 -2.992 -6.414 1.00 0.00 C ATOM 174 CG LEU A 13 -1.462 -3.068 -4.929 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.865 -4.506 -4.556 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.271 -2.630 -4.069 1.00 0.00 C ATOM 0 H LEU A 13 -1.620 -2.400 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.343 -4.598 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.152 -3.564 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.847 -1.959 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.312 -2.410 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.144 -4.544 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.712 -4.817 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.025 -5.177 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.545 -2.681 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.576 -3.291 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.004 -1.606 -4.323 1.00 0.00 H new ATOM 188 N ASN A 14 -4.436 -3.443 -6.381 1.00 0.00 N ATOM 189 CA ASN A 14 -5.731 -2.778 -6.054 1.00 0.00 C ATOM 190 C ASN A 14 -5.651 -2.151 -4.661 1.00 0.00 C ATOM 191 O ASN A 14 -5.056 -2.699 -3.753 1.00 0.00 O ATOM 192 CB ASN A 14 -6.850 -3.817 -6.079 1.00 0.00 C ATOM 193 CG ASN A 14 -7.097 -4.269 -7.521 1.00 0.00 C ATOM 194 OD1 ASN A 14 -7.682 -5.309 -7.749 1.00 0.00 O ATOM 195 ND2 ASN A 14 -6.668 -3.535 -8.515 1.00 0.00 N ATOM 0 H ASN A 14 -4.365 -4.417 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.935 -1.999 -6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.580 -4.673 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.762 -3.394 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.825 -3.837 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.176 -2.661 -8.329 1.00 0.00 H new ATOM 202 N VAL A 15 -6.245 -1.001 -4.487 1.00 0.00 N ATOM 203 CA VAL A 15 -6.204 -0.330 -3.158 1.00 0.00 C ATOM 204 C VAL A 15 -7.386 -0.808 -2.317 1.00 0.00 C ATOM 205 O VAL A 15 -8.518 -0.775 -2.754 1.00 0.00 O ATOM 206 CB VAL A 15 -6.303 1.181 -3.368 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.362 1.888 -2.014 1.00 0.00 C ATOM 208 CG2 VAL A 15 -5.075 1.658 -4.144 1.00 0.00 C ATOM 0 H VAL A 15 -6.758 -0.497 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.274 -0.572 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.207 1.414 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.432 2.965 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.236 1.543 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.460 1.661 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.138 2.735 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.173 1.424 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.037 1.155 -5.110 1.00 0.00 H new ATOM 218 N ARG A 16 -7.128 -1.261 -1.114 1.00 0.00 N ATOM 219 CA ARG A 16 -8.228 -1.761 -0.233 1.00 0.00 C ATOM 220 C ARG A 16 -8.488 -0.763 0.894 1.00 0.00 C ATOM 221 O ARG A 16 -7.578 -0.284 1.541 1.00 0.00 O ATOM 222 CB ARG A 16 -7.806 -3.107 0.359 1.00 0.00 C ATOM 223 CG ARG A 16 -7.790 -4.159 -0.753 1.00 0.00 C ATOM 224 CD ARG A 16 -7.193 -5.467 -0.226 1.00 0.00 C ATOM 225 NE ARG A 16 -8.021 -5.983 0.904 1.00 0.00 N ATOM 226 CZ ARG A 16 -7.471 -6.666 1.877 1.00 0.00 C ATOM 227 NH1 ARG A 16 -6.193 -6.929 1.863 1.00 0.00 N ATOM 228 NH2 ARG A 16 -8.208 -7.103 2.857 1.00 0.00 N ATOM 0 H ARG A 16 -6.196 -1.306 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.142 -1.878 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.819 -3.025 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.497 -3.404 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.803 -4.332 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.206 -3.797 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.152 -6.207 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.169 -5.301 0.108 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.025 -5.802 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.613 -6.602 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.774 -7.462 2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.210 -6.913 2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.783 -7.635 3.616 1.00 0.00 H new ATOM 242 N GLU A 17 -9.731 -0.449 1.131 1.00 0.00 N ATOM 243 CA GLU A 17 -10.073 0.515 2.213 1.00 0.00 C ATOM 244 C GLU A 17 -9.821 -0.126 3.580 1.00 0.00 C ATOM 245 O GLU A 17 -9.443 0.538 4.527 1.00 0.00 O ATOM 246 CB GLU A 17 -11.551 0.894 2.090 1.00 0.00 C ATOM 247 CG GLU A 17 -12.423 -0.349 2.302 1.00 0.00 C ATOM 248 CD GLU A 17 -13.889 0.005 2.052 1.00 0.00 C ATOM 249 OE1 GLU A 17 -14.146 0.763 1.133 1.00 0.00 O ATOM 250 OE2 GLU A 17 -14.730 -0.488 2.786 1.00 0.00 O ATOM 0 H GLU A 17 -10.530 -0.822 0.618 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.452 1.406 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.803 1.657 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.746 1.323 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.110 -1.145 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.297 -0.725 3.317 1.00 0.00 H new ATOM 257 N GLY A 18 -10.060 -1.411 3.694 1.00 0.00 N ATOM 258 CA GLY A 18 -9.873 -2.116 5.002 1.00 0.00 C ATOM 259 C GLY A 18 -8.853 -3.240 4.853 1.00 0.00 C ATOM 260 O GLY A 18 -7.932 -3.164 4.063 1.00 0.00 O ATOM 0 H GLY A 18 -10.379 -2.006 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.537 -1.408 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.825 -2.522 5.344 1.00 0.00 H new ATOM 264 N ALA A 19 -9.015 -4.287 5.615 1.00 0.00 N ATOM 265 CA ALA A 19 -8.068 -5.431 5.539 1.00 0.00 C ATOM 266 C ALA A 19 -8.832 -6.724 5.825 1.00 0.00 C ATOM 267 O ALA A 19 -8.725 -7.302 6.888 1.00 0.00 O ATOM 268 CB ALA A 19 -6.963 -5.242 6.580 1.00 0.00 C ATOM 0 H ALA A 19 -9.770 -4.398 6.292 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.620 -5.482 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.267 -6.079 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.430 -4.313 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.405 -5.199 7.576 1.00 0.00 H new ATOM 274 N SER A 20 -9.605 -7.181 4.875 1.00 0.00 N ATOM 275 CA SER A 20 -10.384 -8.438 5.067 1.00 0.00 C ATOM 276 C SER A 20 -10.384 -9.216 3.750 1.00 0.00 C ATOM 277 O SER A 20 -11.401 -9.711 3.314 1.00 0.00 O ATOM 278 CB SER A 20 -11.822 -8.090 5.464 1.00 0.00 C ATOM 279 OG SER A 20 -11.802 -7.183 6.560 1.00 0.00 O ATOM 0 H SER A 20 -9.730 -6.733 3.967 1.00 0.00 H new ATOM 0 HA SER A 20 -9.935 -9.043 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.347 -7.645 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.365 -8.995 5.736 1.00 0.00 H new ATOM 0 HG SER A 20 -12.721 -6.958 6.815 1.00 0.00 H new ATOM 285 N THR A 21 -9.242 -9.316 3.119 1.00 0.00 N ATOM 286 CA THR A 21 -9.142 -10.055 1.824 1.00 0.00 C ATOM 287 C THR A 21 -10.222 -9.577 0.850 1.00 0.00 C ATOM 288 O THR A 21 -9.986 -8.729 0.011 1.00 0.00 O ATOM 289 CB THR A 21 -9.319 -11.555 2.073 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.615 -11.800 2.598 1.00 0.00 O ATOM 291 CG2 THR A 21 -8.266 -12.036 3.067 1.00 0.00 C ATOM 0 H THR A 21 -8.365 -8.913 3.449 1.00 0.00 H new ATOM 0 HA THR A 21 -8.161 -9.864 1.390 1.00 0.00 H new ATOM 0 HB THR A 21 -9.202 -12.094 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.728 -12.761 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.393 -13.104 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.271 -11.851 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.380 -11.497 4.007 1.00 0.00 H new ATOM 299 N SER A 22 -11.398 -10.127 0.945 1.00 0.00 N ATOM 300 CA SER A 22 -12.492 -9.722 0.025 1.00 0.00 C ATOM 301 C SER A 22 -12.959 -8.311 0.396 1.00 0.00 C ATOM 302 O SER A 22 -14.139 -8.032 0.471 1.00 0.00 O ATOM 303 CB SER A 22 -13.646 -10.715 0.171 1.00 0.00 C ATOM 304 OG SER A 22 -14.634 -10.445 -0.814 1.00 0.00 O ATOM 0 H SER A 22 -11.649 -10.844 1.625 1.00 0.00 H new ATOM 0 HA SER A 22 -12.143 -9.721 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.278 -11.735 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.081 -10.639 1.168 1.00 0.00 H new ATOM 0 HG SER A 22 -14.890 -9.500 -0.770 1.00 0.00 H new ATOM 310 N SER A 23 -12.032 -7.421 0.642 1.00 0.00 N ATOM 311 CA SER A 23 -12.401 -6.029 1.025 1.00 0.00 C ATOM 312 C SER A 23 -12.807 -5.225 -0.212 1.00 0.00 C ATOM 313 O SER A 23 -12.565 -5.617 -1.336 1.00 0.00 O ATOM 314 CB SER A 23 -11.205 -5.358 1.695 1.00 0.00 C ATOM 315 OG SER A 23 -10.317 -4.877 0.696 1.00 0.00 O ATOM 0 H SER A 23 -11.029 -7.602 0.593 1.00 0.00 H new ATOM 0 HA SER A 23 -13.244 -6.063 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.541 -4.535 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.691 -6.068 2.344 1.00 0.00 H new ATOM 0 HG SER A 23 -10.562 -3.959 0.456 1.00 0.00 H new ATOM 321 N LYS A 24 -13.432 -4.098 -0.001 1.00 0.00 N ATOM 322 CA LYS A 24 -13.875 -3.251 -1.142 1.00 0.00 C ATOM 323 C LYS A 24 -12.691 -2.479 -1.733 1.00 0.00 C ATOM 324 O LYS A 24 -11.848 -1.955 -1.023 1.00 0.00 O ATOM 325 CB LYS A 24 -14.930 -2.264 -0.645 1.00 0.00 C ATOM 326 CG LYS A 24 -15.449 -1.427 -1.816 1.00 0.00 C ATOM 327 CD LYS A 24 -16.569 -0.508 -1.326 1.00 0.00 C ATOM 328 CE LYS A 24 -17.097 0.317 -2.500 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.213 1.187 -2.033 1.00 0.00 N ATOM 0 H LYS A 24 -13.656 -3.726 0.922 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.293 -3.890 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.754 -2.803 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.502 -1.613 0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.639 -0.836 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.818 -2.079 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.375 -1.099 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.197 0.151 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.297 0.927 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.444 -0.343 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.573 1.749 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.979 0.595 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.867 1.826 -1.288 1.00 0.00 H new ATOM 343 N VAL A 25 -12.635 -2.403 -3.039 1.00 0.00 N ATOM 344 CA VAL A 25 -11.529 -1.668 -3.712 1.00 0.00 C ATOM 345 C VAL A 25 -11.973 -0.227 -3.981 1.00 0.00 C ATOM 346 O VAL A 25 -13.035 0.013 -4.525 1.00 0.00 O ATOM 347 CB VAL A 25 -11.204 -2.357 -5.038 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.206 -1.510 -5.834 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.592 -3.729 -4.753 1.00 0.00 C ATOM 0 H VAL A 25 -13.316 -2.824 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.644 -1.664 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.118 -2.473 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.979 -2.006 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.639 -0.530 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.289 -1.390 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.358 -4.226 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.679 -3.606 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.302 -4.335 -4.190 1.00 0.00 H new ATOM 359 N ILE A 26 -11.164 0.731 -3.602 1.00 0.00 N ATOM 360 CA ILE A 26 -11.514 2.168 -3.824 1.00 0.00 C ATOM 361 C ILE A 26 -10.611 2.753 -4.913 1.00 0.00 C ATOM 362 O ILE A 26 -10.800 3.871 -5.350 1.00 0.00 O ATOM 363 CB ILE A 26 -11.319 2.935 -2.512 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.876 2.770 -2.018 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.281 2.384 -1.458 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.660 3.644 -0.782 1.00 0.00 C ATOM 0 H ILE A 26 -10.266 0.577 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.552 2.253 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.520 3.993 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.679 1.725 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.176 3.053 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.146 2.927 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.308 2.506 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.076 1.326 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.635 3.528 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.840 4.688 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.351 3.340 0.004 1.00 0.00 H new ATOM 378 N GLY A 27 -9.632 2.013 -5.357 1.00 0.00 N ATOM 379 CA GLY A 27 -8.735 2.551 -6.415 1.00 0.00 C ATOM 380 C GLY A 27 -7.653 1.529 -6.765 1.00 0.00 C ATOM 381 O GLY A 27 -7.670 0.406 -6.299 1.00 0.00 O ATOM 0 H GLY A 27 -9.417 1.069 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.316 2.794 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.273 3.477 -6.073 1.00 0.00 H new ATOM 385 N SER A 28 -6.709 1.912 -7.590 1.00 0.00 N ATOM 386 CA SER A 28 -5.619 0.968 -7.983 1.00 0.00 C ATOM 387 C SER A 28 -4.303 1.731 -8.134 1.00 0.00 C ATOM 388 O SER A 28 -4.289 2.914 -8.409 1.00 0.00 O ATOM 389 CB SER A 28 -5.976 0.309 -9.314 1.00 0.00 C ATOM 390 OG SER A 28 -7.063 -0.585 -9.119 1.00 0.00 O ATOM 0 H SER A 28 -6.647 2.840 -8.009 1.00 0.00 H new ATOM 0 HA SER A 28 -5.508 0.206 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.242 1.069 -10.049 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.114 -0.229 -9.709 1.00 0.00 H new ATOM 0 HG SER A 28 -7.295 -1.008 -9.972 1.00 0.00 H new ATOM 396 N LEU A 29 -3.193 1.051 -7.956 1.00 0.00 N ATOM 397 CA LEU A 29 -1.857 1.713 -8.086 1.00 0.00 C ATOM 398 C LEU A 29 -1.007 0.958 -9.108 1.00 0.00 C ATOM 399 O LEU A 29 -1.135 -0.237 -9.282 1.00 0.00 O ATOM 400 CB LEU A 29 -1.151 1.695 -6.729 1.00 0.00 C ATOM 401 CG LEU A 29 -1.973 2.488 -5.704 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.295 2.391 -4.335 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.077 3.966 -6.134 1.00 0.00 C ATOM 0 H LEU A 29 -3.157 0.058 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.993 2.742 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.023 0.667 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.154 2.127 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.978 2.071 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.874 2.952 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.239 1.346 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.289 2.805 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.662 4.518 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.078 4.397 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.564 4.028 -7.107 1.00 0.00 H new ATOM 415 N SER A 30 -0.151 1.663 -9.795 1.00 0.00 N ATOM 416 CA SER A 30 0.706 1.016 -10.826 1.00 0.00 C ATOM 417 C SER A 30 1.889 0.293 -10.176 1.00 0.00 C ATOM 418 O SER A 30 2.205 0.496 -9.021 1.00 0.00 O ATOM 419 CB SER A 30 1.234 2.086 -11.775 1.00 0.00 C ATOM 420 OG SER A 30 2.106 2.951 -11.058 1.00 0.00 O ATOM 0 H SER A 30 -0.008 2.667 -9.685 1.00 0.00 H new ATOM 0 HA SER A 30 0.108 0.285 -11.370 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.764 1.623 -12.607 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.406 2.654 -12.200 1.00 0.00 H new ATOM 0 HG SER A 30 1.964 2.834 -10.095 1.00 0.00 H new ATOM 426 N GLY A 31 2.538 -0.556 -10.928 1.00 0.00 N ATOM 427 CA GLY A 31 3.702 -1.320 -10.391 1.00 0.00 C ATOM 428 C GLY A 31 4.869 -0.382 -10.057 1.00 0.00 C ATOM 429 O GLY A 31 5.001 0.696 -10.604 1.00 0.00 O ATOM 0 H GLY A 31 2.309 -0.755 -11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.402 -1.866 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.024 -2.061 -11.123 1.00 0.00 H new ATOM 433 N ASN A 32 5.717 -0.804 -9.154 1.00 0.00 N ATOM 434 CA ASN A 32 6.889 0.025 -8.749 1.00 0.00 C ATOM 435 C ASN A 32 6.411 1.386 -8.236 1.00 0.00 C ATOM 436 O ASN A 32 7.091 2.384 -8.373 1.00 0.00 O ATOM 437 CB ASN A 32 7.832 0.222 -9.944 1.00 0.00 C ATOM 438 CG ASN A 32 8.194 -1.138 -10.552 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.291 -1.270 -11.756 1.00 0.00 O ATOM 440 ND2 ASN A 32 8.405 -2.159 -9.766 1.00 0.00 N ATOM 0 H ASN A 32 5.644 -1.701 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 32 7.428 -0.489 -7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.354 0.851 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.736 0.739 -9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.651 -3.066 -10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.324 -2.050 -8.755 1.00 0.00 H new ATOM 447 N THR A 33 5.249 1.434 -7.635 1.00 0.00 N ATOM 448 CA THR A 33 4.730 2.731 -7.103 1.00 0.00 C ATOM 449 C THR A 33 5.156 2.901 -5.641 1.00 0.00 C ATOM 450 O THR A 33 4.981 2.021 -4.821 1.00 0.00 O ATOM 451 CB THR A 33 3.202 2.750 -7.203 1.00 0.00 C ATOM 452 OG1 THR A 33 2.829 2.774 -8.573 1.00 0.00 O ATOM 453 CG2 THR A 33 2.653 3.999 -6.505 1.00 0.00 C ATOM 0 H THR A 33 4.637 0.631 -7.490 1.00 0.00 H new ATOM 0 HA THR A 33 5.141 3.552 -7.691 1.00 0.00 H new ATOM 0 HB THR A 33 2.793 1.862 -6.722 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.089 1.930 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.566 4.009 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.946 3.987 -5.455 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.057 4.891 -6.984 1.00 0.00 H new ATOM 461 N LYS A 34 5.717 4.033 -5.317 1.00 0.00 N ATOM 462 CA LYS A 34 6.162 4.287 -3.919 1.00 0.00 C ATOM 463 C LYS A 34 4.961 4.694 -3.063 1.00 0.00 C ATOM 464 O LYS A 34 4.170 5.528 -3.457 1.00 0.00 O ATOM 465 CB LYS A 34 7.186 5.423 -3.935 1.00 0.00 C ATOM 466 CG LYS A 34 7.721 5.661 -2.523 1.00 0.00 C ATOM 467 CD LYS A 34 8.821 6.724 -2.572 1.00 0.00 C ATOM 468 CE LYS A 34 9.381 6.941 -1.166 1.00 0.00 C ATOM 469 NZ LYS A 34 8.283 7.370 -0.254 1.00 0.00 N ATOM 0 H LYS A 34 5.887 4.800 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 34 6.608 3.385 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.007 5.175 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.726 6.334 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.914 5.986 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.115 4.732 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.616 6.409 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.421 7.659 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.835 6.021 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.166 7.697 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.681 7.924 0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.603 7.955 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.798 6.531 0.124 1.00 0.00 H new ATOM 483 N VAL A 35 4.816 4.114 -1.890 1.00 0.00 N ATOM 484 CA VAL A 35 3.661 4.471 -1.000 1.00 0.00 C ATOM 485 C VAL A 35 4.168 4.832 0.397 1.00 0.00 C ATOM 486 O VAL A 35 4.988 4.146 0.975 1.00 0.00 O ATOM 487 CB VAL A 35 2.692 3.289 -0.917 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.904 3.196 -2.224 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.471 1.988 -0.703 1.00 0.00 C ATOM 0 H VAL A 35 5.448 3.409 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 35 3.140 5.333 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 35 2.010 3.439 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.211 2.356 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.344 4.119 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.594 3.047 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.774 1.152 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.156 1.833 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.039 2.052 0.225 1.00 0.00 H new ATOM 499 N THR A 36 3.680 5.917 0.935 1.00 0.00 N ATOM 500 CA THR A 36 4.119 6.354 2.288 1.00 0.00 C ATOM 501 C THR A 36 3.347 5.572 3.351 1.00 0.00 C ATOM 502 O THR A 36 2.137 5.467 3.299 1.00 0.00 O ATOM 503 CB THR A 36 3.836 7.851 2.447 1.00 0.00 C ATOM 504 OG1 THR A 36 4.714 8.583 1.606 1.00 0.00 O ATOM 505 CG2 THR A 36 4.055 8.277 3.902 1.00 0.00 C ATOM 0 H THR A 36 2.991 6.523 0.490 1.00 0.00 H new ATOM 0 HA THR A 36 5.186 6.167 2.407 1.00 0.00 H new ATOM 0 HB THR A 36 2.801 8.052 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.536 9.542 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.851 9.343 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.383 7.715 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.087 8.076 4.188 1.00 0.00 H new ATOM 513 N ILE A 37 4.042 5.026 4.317 1.00 0.00 N ATOM 514 CA ILE A 37 3.364 4.247 5.396 1.00 0.00 C ATOM 515 C ILE A 37 3.322 5.072 6.681 1.00 0.00 C ATOM 516 O ILE A 37 4.336 5.536 7.168 1.00 0.00 O ATOM 517 CB ILE A 37 4.148 2.960 5.643 1.00 0.00 C ATOM 518 CG1 ILE A 37 4.160 2.131 4.356 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.484 2.158 6.764 1.00 0.00 C ATOM 520 CD1 ILE A 37 5.127 0.957 4.506 1.00 0.00 C ATOM 0 H ILE A 37 5.056 5.087 4.404 1.00 0.00 H new ATOM 0 HA ILE A 37 2.345 4.010 5.092 1.00 0.00 H new ATOM 0 HB ILE A 37 5.169 3.202 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.157 1.763 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.459 2.755 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.046 1.240 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.469 2.753 7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.462 1.909 6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.132 0.370 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.131 1.335 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.809 0.328 5.337 1.00 0.00 H new ATOM 532 N VAL A 38 2.148 5.240 7.236 1.00 0.00 N ATOM 533 CA VAL A 38 1.998 6.014 8.504 1.00 0.00 C ATOM 534 C VAL A 38 1.645 5.034 9.623 1.00 0.00 C ATOM 535 O VAL A 38 1.499 5.407 10.771 1.00 0.00 O ATOM 536 CB VAL A 38 0.875 7.048 8.343 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.329 8.143 7.375 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.377 6.371 7.781 1.00 0.00 C ATOM 0 H VAL A 38 1.276 4.868 6.858 1.00 0.00 H new ATOM 0 HA VAL A 38 2.925 6.536 8.743 1.00 0.00 H new ATOM 0 HB VAL A 38 0.647 7.483 9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.533 8.879 7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.220 8.631 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.558 7.700 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.171 7.110 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.149 5.933 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.705 5.587 8.464 1.00 0.00 H new ATOM 548 N GLY A 39 1.513 3.773 9.296 1.00 0.00 N ATOM 549 CA GLY A 39 1.176 2.768 10.342 1.00 0.00 C ATOM 550 C GLY A 39 1.063 1.374 9.716 1.00 0.00 C ATOM 551 O GLY A 39 1.278 1.194 8.533 1.00 0.00 O ATOM 0 H GLY A 39 1.624 3.400 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.943 2.766 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.236 3.036 10.825 1.00 0.00 H new ATOM 555 N GLU A 40 0.726 0.384 10.506 1.00 0.00 N ATOM 556 CA GLU A 40 0.597 -1.006 9.967 1.00 0.00 C ATOM 557 C GLU A 40 -0.580 -1.711 10.641 1.00 0.00 C ATOM 558 O GLU A 40 -1.034 -1.314 11.697 1.00 0.00 O ATOM 559 CB GLU A 40 1.889 -1.785 10.242 1.00 0.00 C ATOM 560 CG GLU A 40 2.154 -1.851 11.749 1.00 0.00 C ATOM 561 CD GLU A 40 3.470 -2.589 12.000 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.012 -3.130 11.049 1.00 0.00 O ATOM 563 OE2 GLU A 40 3.914 -2.601 13.135 1.00 0.00 O ATOM 0 H GLU A 40 0.534 0.479 11.503 1.00 0.00 H new ATOM 0 HA GLU A 40 0.423 -0.962 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.809 -2.793 9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.727 -1.303 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.203 -0.845 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.334 -2.364 12.252 1.00 0.00 H new ATOM 570 N GLU A 41 -1.076 -2.762 10.042 1.00 0.00 N ATOM 571 CA GLU A 41 -2.219 -3.498 10.653 1.00 0.00 C ATOM 572 C GLU A 41 -2.183 -4.963 10.206 1.00 0.00 C ATOM 573 O GLU A 41 -2.400 -5.279 9.054 1.00 0.00 O ATOM 574 CB GLU A 41 -3.539 -2.857 10.212 1.00 0.00 C ATOM 575 CG GLU A 41 -4.708 -3.569 10.898 1.00 0.00 C ATOM 576 CD GLU A 41 -6.025 -2.907 10.492 1.00 0.00 C ATOM 577 OE1 GLU A 41 -6.492 -3.182 9.399 1.00 0.00 O ATOM 578 OE2 GLU A 41 -6.546 -2.136 11.282 1.00 0.00 O ATOM 0 H GLU A 41 -0.739 -3.141 9.157 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.141 -3.450 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.544 -1.798 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.644 -2.924 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.719 -4.623 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.587 -3.527 11.980 1.00 0.00 H new ATOM 585 N GLY A 42 -1.925 -5.854 11.124 1.00 0.00 N ATOM 586 CA GLY A 42 -1.890 -7.307 10.791 1.00 0.00 C ATOM 587 C GLY A 42 -0.907 -7.582 9.650 1.00 0.00 C ATOM 588 O GLY A 42 0.205 -7.092 9.633 1.00 0.00 O ATOM 0 H GLY A 42 -1.735 -5.635 12.102 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.600 -7.879 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.887 -7.643 10.506 1.00 0.00 H new ATOM 592 N ALA A 43 -1.314 -8.383 8.701 1.00 0.00 N ATOM 593 CA ALA A 43 -0.422 -8.718 7.557 1.00 0.00 C ATOM 594 C ALA A 43 -0.637 -7.695 6.442 1.00 0.00 C ATOM 595 O ALA A 43 -0.418 -7.974 5.278 1.00 0.00 O ATOM 596 CB ALA A 43 -0.776 -10.116 7.046 1.00 0.00 C ATOM 0 H ALA A 43 -2.234 -8.822 8.671 1.00 0.00 H new ATOM 0 HA ALA A 43 0.621 -8.697 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.128 -10.372 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.637 -10.842 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.816 -10.131 6.719 1.00 0.00 H new ATOM 602 N PHE A 44 -1.071 -6.510 6.796 1.00 0.00 N ATOM 603 CA PHE A 44 -1.321 -5.448 5.772 1.00 0.00 C ATOM 604 C PHE A 44 -0.681 -4.141 6.229 1.00 0.00 C ATOM 605 O PHE A 44 -0.545 -3.886 7.409 1.00 0.00 O ATOM 606 CB PHE A 44 -2.830 -5.238 5.620 1.00 0.00 C ATOM 607 CG PHE A 44 -3.493 -6.556 5.310 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.608 -6.991 3.986 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.989 -7.347 6.352 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.221 -8.216 3.702 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.602 -8.573 6.069 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.716 -9.009 4.744 1.00 0.00 C ATOM 0 H PHE A 44 -1.264 -6.231 7.758 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.891 -5.754 4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.243 -4.818 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.030 -4.522 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.223 -6.381 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.899 -7.012 7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.312 -8.550 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.987 -9.183 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.186 -9.957 4.526 1.00 0.00 H new ATOM 622 N TYR A 45 -0.289 -3.309 5.296 1.00 0.00 N ATOM 623 CA TYR A 45 0.347 -2.004 5.652 1.00 0.00 C ATOM 624 C TYR A 45 -0.620 -0.859 5.363 1.00 0.00 C ATOM 625 O TYR A 45 -1.308 -0.845 4.359 1.00 0.00 O ATOM 626 CB TYR A 45 1.625 -1.819 4.821 1.00 0.00 C ATOM 627 CG TYR A 45 2.755 -2.604 5.448 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.224 -2.243 6.718 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.332 -3.683 4.770 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.268 -2.960 7.307 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.379 -4.399 5.361 1.00 0.00 C ATOM 632 CZ TYR A 45 4.847 -4.037 6.630 1.00 0.00 C ATOM 633 OH TYR A 45 5.878 -4.743 7.212 1.00 0.00 O ATOM 0 H TYR A 45 -0.383 -3.480 4.295 1.00 0.00 H new ATOM 0 HA TYR A 45 0.595 -2.001 6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.458 -2.156 3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.888 -0.762 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.778 -1.410 7.242 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.970 -3.963 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.628 -2.682 8.286 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.826 -5.231 4.838 1.00 0.00 H new ATOM 0 HH TYR A 45 6.165 -5.460 6.609 1.00 0.00 H new ATOM 643 N LYS A 46 -0.665 0.108 6.240 1.00 0.00 N ATOM 644 CA LYS A 46 -1.570 1.270 6.034 1.00 0.00 C ATOM 645 C LYS A 46 -0.797 2.369 5.309 1.00 0.00 C ATOM 646 O LYS A 46 0.315 2.695 5.675 1.00 0.00 O ATOM 647 CB LYS A 46 -2.039 1.788 7.393 1.00 0.00 C ATOM 648 CG LYS A 46 -3.048 2.917 7.186 1.00 0.00 C ATOM 649 CD LYS A 46 -3.579 3.388 8.542 1.00 0.00 C ATOM 650 CE LYS A 46 -4.603 4.503 8.326 1.00 0.00 C ATOM 651 NZ LYS A 46 -5.138 4.952 9.641 1.00 0.00 N ATOM 0 H LYS A 46 -0.109 0.141 7.095 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.435 0.973 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.494 0.979 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.188 2.148 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.577 3.748 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.872 2.572 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.038 2.555 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.758 3.748 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.139 5.341 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.416 4.146 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.834 5.710 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.596 4.151 10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.358 5.309 10.230 1.00 0.00 H new ATOM 665 N ILE A 47 -1.375 2.939 4.280 1.00 0.00 N ATOM 666 CA ILE A 47 -0.677 4.019 3.513 1.00 0.00 C ATOM 667 C ILE A 47 -1.582 5.241 3.381 1.00 0.00 C ATOM 668 O ILE A 47 -2.790 5.151 3.472 1.00 0.00 O ATOM 669 CB ILE A 47 -0.306 3.495 2.123 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.556 2.965 1.409 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.718 2.369 2.266 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.211 2.651 -0.048 1.00 0.00 C ATOM 0 H ILE A 47 -2.305 2.701 3.936 1.00 0.00 H new ATOM 0 HA ILE A 47 0.228 4.310 4.047 1.00 0.00 H new ATOM 0 HB ILE A 47 0.119 4.308 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.922 2.069 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.356 3.704 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.985 1.993 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.610 2.750 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.290 1.561 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.097 2.274 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.865 3.558 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.425 1.897 -0.081 1.00 0.00 H new ATOM 684 N GLU A 48 -0.995 6.386 3.170 1.00 0.00 N ATOM 685 CA GLU A 48 -1.804 7.628 3.036 1.00 0.00 C ATOM 686 C GLU A 48 -2.339 7.737 1.606 1.00 0.00 C ATOM 687 O GLU A 48 -1.654 8.182 0.706 1.00 0.00 O ATOM 688 CB GLU A 48 -0.920 8.834 3.356 1.00 0.00 C ATOM 689 CG GLU A 48 -1.759 10.111 3.296 1.00 0.00 C ATOM 690 CD GLU A 48 -0.892 11.311 3.682 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.172 11.095 4.240 1.00 0.00 O ATOM 692 OE2 GLU A 48 -1.308 12.426 3.415 1.00 0.00 O ATOM 0 H GLU A 48 0.013 6.515 3.084 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.646 7.600 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.479 8.722 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.096 8.894 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.161 10.248 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.610 10.031 3.972 1.00 0.00 H new ATOM 699 N TYR A 49 -3.560 7.329 1.396 1.00 0.00 N ATOM 700 CA TYR A 49 -4.158 7.398 0.032 1.00 0.00 C ATOM 701 C TYR A 49 -4.760 8.787 -0.202 1.00 0.00 C ATOM 702 O TYR A 49 -5.007 9.531 0.726 1.00 0.00 O ATOM 703 CB TYR A 49 -5.253 6.340 -0.091 1.00 0.00 C ATOM 704 CG TYR A 49 -5.847 6.390 -1.477 1.00 0.00 C ATOM 705 CD1 TYR A 49 -5.154 5.825 -2.554 1.00 0.00 C ATOM 706 CD2 TYR A 49 -7.090 7.000 -1.687 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.702 5.871 -3.841 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.638 7.046 -2.974 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.944 6.480 -4.051 1.00 0.00 C ATOM 710 OH TYR A 49 -7.484 6.525 -5.320 1.00 0.00 O ATOM 0 H TYR A 49 -4.174 6.948 2.116 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.384 7.215 -0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.841 5.350 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.028 6.515 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.196 5.353 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.626 7.435 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.166 5.436 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.596 7.518 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.351 6.982 -5.291 1.00 0.00 H new ATOM 720 N LYS A 50 -4.986 9.142 -1.437 1.00 0.00 N ATOM 721 CA LYS A 50 -5.561 10.484 -1.737 1.00 0.00 C ATOM 722 C LYS A 50 -7.030 10.541 -1.304 1.00 0.00 C ATOM 723 O LYS A 50 -7.897 9.955 -1.922 1.00 0.00 O ATOM 724 CB LYS A 50 -5.454 10.750 -3.238 1.00 0.00 C ATOM 725 CG LYS A 50 -3.981 10.935 -3.616 1.00 0.00 C ATOM 726 CD LYS A 50 -3.863 11.177 -5.123 1.00 0.00 C ATOM 727 CE LYS A 50 -2.393 11.391 -5.494 1.00 0.00 C ATOM 728 NZ LYS A 50 -2.275 11.599 -6.966 1.00 0.00 N ATOM 0 H LYS A 50 -4.797 8.560 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.006 11.244 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.883 9.919 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.024 11.641 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.558 11.777 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.409 10.051 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.267 10.326 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.452 12.049 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.995 12.255 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.801 10.528 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.276 11.744 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.639 10.763 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.827 12.436 -7.244 1.00 0.00 H new ATOM 742 N GLY A 51 -7.311 11.258 -0.245 1.00 0.00 N ATOM 743 CA GLY A 51 -8.717 11.378 0.248 1.00 0.00 C ATOM 744 C GLY A 51 -8.938 10.406 1.407 1.00 0.00 C ATOM 745 O GLY A 51 -9.906 10.507 2.133 1.00 0.00 O ATOM 0 H GLY A 51 -6.620 11.770 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.913 12.399 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.416 11.162 -0.560 1.00 0.00 H new ATOM 749 N SER A 52 -8.052 9.465 1.596 1.00 0.00 N ATOM 750 CA SER A 52 -8.234 8.504 2.720 1.00 0.00 C ATOM 751 C SER A 52 -6.967 7.670 2.910 1.00 0.00 C ATOM 752 O SER A 52 -5.900 8.032 2.456 1.00 0.00 O ATOM 753 CB SER A 52 -9.405 7.574 2.410 1.00 0.00 C ATOM 754 OG SER A 52 -9.041 6.702 1.349 1.00 0.00 O ATOM 0 H SER A 52 -7.218 9.321 1.026 1.00 0.00 H new ATOM 0 HA SER A 52 -8.436 9.063 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.671 6.997 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.284 8.156 2.133 1.00 0.00 H new ATOM 0 HG SER A 52 -9.789 6.102 1.147 1.00 0.00 H new ATOM 760 N HIS A 53 -7.083 6.550 3.590 1.00 0.00 N ATOM 761 CA HIS A 53 -5.899 5.665 3.831 1.00 0.00 C ATOM 762 C HIS A 53 -6.120 4.315 3.145 1.00 0.00 C ATOM 763 O HIS A 53 -7.080 3.619 3.413 1.00 0.00 O ATOM 764 CB HIS A 53 -5.731 5.455 5.334 1.00 0.00 C ATOM 765 CG HIS A 53 -5.362 6.764 5.978 1.00 0.00 C ATOM 766 ND1 HIS A 53 -6.313 7.629 6.495 1.00 0.00 N ATOM 767 CD2 HIS A 53 -4.149 7.370 6.191 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.662 8.697 6.992 1.00 0.00 C ATOM 769 NE2 HIS A 53 -4.340 8.590 6.831 1.00 0.00 N ATOM 0 H HIS A 53 -7.957 6.210 3.991 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.002 6.131 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.656 5.072 5.765 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.958 4.711 5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.191 6.961 5.905 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.149 9.538 7.463 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.625 9.259 7.116 1.00 0.00 H new ATOM 777 N GLY A 54 -5.238 3.946 2.254 1.00 0.00 N ATOM 778 CA GLY A 54 -5.386 2.647 1.533 1.00 0.00 C ATOM 779 C GLY A 54 -4.681 1.530 2.304 1.00 0.00 C ATOM 780 O GLY A 54 -3.861 1.777 3.168 1.00 0.00 O ATOM 0 H GLY A 54 -4.417 4.492 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.443 2.407 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.965 2.729 0.531 1.00 0.00 H new ATOM 784 N TYR A 55 -4.994 0.298 1.986 1.00 0.00 N ATOM 785 CA TYR A 55 -4.352 -0.864 2.674 1.00 0.00 C ATOM 786 C TYR A 55 -3.881 -1.875 1.631 1.00 0.00 C ATOM 787 O TYR A 55 -4.581 -2.168 0.681 1.00 0.00 O ATOM 788 CB TYR A 55 -5.366 -1.523 3.606 1.00 0.00 C ATOM 789 CG TYR A 55 -5.635 -0.604 4.769 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.589 0.413 4.656 1.00 0.00 C ATOM 791 CD2 TYR A 55 -4.921 -0.768 5.961 1.00 0.00 C ATOM 792 CE1 TYR A 55 -6.830 1.267 5.738 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.162 0.085 7.042 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.117 1.103 6.932 1.00 0.00 C ATOM 795 OH TYR A 55 -6.354 1.945 7.999 1.00 0.00 O ATOM 0 H TYR A 55 -5.675 0.046 1.270 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.496 -0.519 3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.291 -1.731 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.983 -2.479 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.139 0.539 3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.184 -1.553 6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.566 2.053 5.652 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.611 -0.041 7.962 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.965 1.560 8.812 1.00 0.00 H new ATOM 805 N VAL A 56 -2.699 -2.417 1.805 1.00 0.00 N ATOM 806 CA VAL A 56 -2.178 -3.424 0.827 1.00 0.00 C ATOM 807 C VAL A 56 -1.484 -4.562 1.575 1.00 0.00 C ATOM 808 O VAL A 56 -1.034 -4.405 2.693 1.00 0.00 O ATOM 809 CB VAL A 56 -1.182 -2.753 -0.117 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.913 -1.720 -0.974 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.091 -2.055 0.699 1.00 0.00 C ATOM 0 H VAL A 56 -2.073 -2.205 2.582 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.011 -3.827 0.251 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.727 -3.507 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.204 -1.240 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.690 -2.215 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.367 -0.968 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.619 -1.577 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.544 -1.301 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.431 -2.790 1.313 1.00 0.00 H new ATOM 821 N ALA A 57 -1.397 -5.709 0.960 1.00 0.00 N ATOM 822 CA ALA A 57 -0.738 -6.872 1.615 1.00 0.00 C ATOM 823 C ALA A 57 0.783 -6.694 1.609 1.00 0.00 C ATOM 824 O ALA A 57 1.355 -6.147 0.689 1.00 0.00 O ATOM 825 CB ALA A 57 -1.112 -8.148 0.862 1.00 0.00 C ATOM 0 H ALA A 57 -1.758 -5.891 0.023 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.076 -6.941 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.633 -9.004 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.194 -8.280 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.777 -8.072 -0.172 1.00 0.00 H new ATOM 831 N LYS A 58 1.434 -7.158 2.639 1.00 0.00 N ATOM 832 CA LYS A 58 2.916 -7.032 2.718 1.00 0.00 C ATOM 833 C LYS A 58 3.577 -7.929 1.665 1.00 0.00 C ATOM 834 O LYS A 58 4.755 -7.813 1.388 1.00 0.00 O ATOM 835 CB LYS A 58 3.373 -7.457 4.115 1.00 0.00 C ATOM 836 CG LYS A 58 2.907 -8.888 4.396 1.00 0.00 C ATOM 837 CD LYS A 58 3.017 -9.174 5.895 1.00 0.00 C ATOM 838 CE LYS A 58 4.462 -8.998 6.358 1.00 0.00 C ATOM 839 NZ LYS A 58 5.383 -9.643 5.380 1.00 0.00 N ATOM 0 H LYS A 58 0.999 -7.623 3.436 1.00 0.00 H new ATOM 0 HA LYS A 58 3.205 -5.998 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.459 -7.397 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.966 -6.778 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.877 -9.018 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.515 -9.597 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.364 -8.501 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.681 -10.189 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.698 -7.938 6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.595 -9.441 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.288 -9.857 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.956 -10.525 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.548 -8.998 4.581 1.00 0.00 H new ATOM 853 N GLU A 59 2.833 -8.830 1.087 1.00 0.00 N ATOM 854 CA GLU A 59 3.418 -9.744 0.063 1.00 0.00 C ATOM 855 C GLU A 59 3.809 -8.953 -1.188 1.00 0.00 C ATOM 856 O GLU A 59 4.788 -9.253 -1.841 1.00 0.00 O ATOM 857 CB GLU A 59 2.378 -10.802 -0.309 1.00 0.00 C ATOM 858 CG GLU A 59 3.008 -11.862 -1.217 1.00 0.00 C ATOM 859 CD GLU A 59 4.007 -12.694 -0.411 1.00 0.00 C ATOM 860 OE1 GLU A 59 4.040 -12.537 0.798 1.00 0.00 O ATOM 861 OE2 GLU A 59 4.718 -13.481 -1.016 1.00 0.00 O ATOM 0 H GLU A 59 1.842 -8.974 1.279 1.00 0.00 H new ATOM 0 HA GLU A 59 4.309 -10.221 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.986 -11.271 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.535 -10.332 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.234 -12.506 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.511 -11.384 -2.058 1.00 0.00 H new ATOM 868 N TYR A 60 3.043 -7.957 -1.541 1.00 0.00 N ATOM 869 CA TYR A 60 3.367 -7.163 -2.760 1.00 0.00 C ATOM 870 C TYR A 60 4.232 -5.965 -2.376 1.00 0.00 C ATOM 871 O TYR A 60 4.597 -5.164 -3.214 1.00 0.00 O ATOM 872 CB TYR A 60 2.066 -6.676 -3.399 1.00 0.00 C ATOM 873 CG TYR A 60 1.249 -7.871 -3.835 1.00 0.00 C ATOM 874 CD1 TYR A 60 1.685 -8.660 -4.904 1.00 0.00 C ATOM 875 CD2 TYR A 60 0.057 -8.193 -3.170 1.00 0.00 C ATOM 876 CE1 TYR A 60 0.934 -9.770 -5.311 1.00 0.00 C ATOM 877 CE2 TYR A 60 -0.695 -9.302 -3.577 1.00 0.00 C ATOM 878 CZ TYR A 60 -0.255 -10.091 -4.648 1.00 0.00 C ATOM 879 OH TYR A 60 -0.995 -11.186 -5.048 1.00 0.00 O ATOM 0 H TYR A 60 2.207 -7.659 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 60 3.913 -7.784 -3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.501 -6.074 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.284 -6.037 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.603 -8.413 -5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.281 -7.585 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.273 -10.378 -6.137 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.614 -9.549 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.791 -11.268 -4.482 1.00 0.00 H new ATOM 889 N ILE A 61 4.564 -5.837 -1.113 1.00 0.00 N ATOM 890 CA ILE A 61 5.412 -4.689 -0.658 1.00 0.00 C ATOM 891 C ILE A 61 6.761 -5.210 -0.173 1.00 0.00 C ATOM 892 O ILE A 61 6.838 -6.069 0.684 1.00 0.00 O ATOM 893 CB ILE A 61 4.704 -3.960 0.483 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.306 -3.515 0.024 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.528 -2.743 0.904 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.394 -2.677 -1.261 1.00 0.00 C ATOM 0 H ILE A 61 4.283 -6.482 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 61 5.570 -4.001 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 61 4.601 -4.633 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.680 -4.390 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.828 -2.932 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.021 -2.224 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.513 -3.069 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.638 -2.067 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.393 -2.373 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.001 -1.791 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.850 -3.271 -2.052 1.00 0.00 H new ATOM 908 N LYS A 62 7.833 -4.691 -0.720 1.00 0.00 N ATOM 909 CA LYS A 62 9.191 -5.150 -0.303 1.00 0.00 C ATOM 910 C LYS A 62 10.155 -3.962 -0.274 1.00 0.00 C ATOM 911 O LYS A 62 9.845 -2.885 -0.744 1.00 0.00 O ATOM 912 CB LYS A 62 9.699 -6.205 -1.299 1.00 0.00 C ATOM 913 CG LYS A 62 10.011 -5.559 -2.655 1.00 0.00 C ATOM 914 CD LYS A 62 10.405 -6.645 -3.656 1.00 0.00 C ATOM 915 CE LYS A 62 10.780 -5.992 -4.986 1.00 0.00 C ATOM 916 NZ LYS A 62 11.137 -7.046 -5.977 1.00 0.00 N ATOM 0 H LYS A 62 7.824 -3.968 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 62 9.135 -5.586 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.594 -6.685 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.948 -6.985 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.141 -5.012 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.820 -4.836 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.245 -7.223 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.579 -7.341 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.946 -5.396 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.620 -5.312 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.392 -6.600 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.945 -7.596 -5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.324 -7.678 -6.120 1.00 0.00 H new ATOM 930 N ASP A 63 11.328 -4.167 0.268 1.00 0.00 N ATOM 931 CA ASP A 63 12.346 -3.078 0.333 1.00 0.00 C ATOM 932 C ASP A 63 11.814 -1.922 1.181 1.00 0.00 C ATOM 933 O ASP A 63 11.813 -0.778 0.769 1.00 0.00 O ATOM 934 CB ASP A 63 12.681 -2.591 -1.085 1.00 0.00 C ATOM 935 CG ASP A 63 13.937 -1.717 -1.043 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.330 -1.331 0.045 1.00 0.00 O ATOM 937 OD2 ASP A 63 14.487 -1.452 -2.101 1.00 0.00 O ATOM 0 H ASP A 63 11.626 -5.054 0.673 1.00 0.00 H new ATOM 0 HA ASP A 63 13.256 -3.462 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.841 -3.443 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.844 -2.024 -1.493 1.00 0.00 H new ATOM 942 N ILE A 64 11.368 -2.218 2.373 1.00 0.00 N ATOM 943 CA ILE A 64 10.842 -1.149 3.265 1.00 0.00 C ATOM 944 C ILE A 64 12.012 -0.337 3.820 1.00 0.00 C ATOM 945 O ILE A 64 12.980 -0.888 4.306 1.00 0.00 O ATOM 946 CB ILE A 64 10.067 -1.787 4.418 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.848 -2.520 3.856 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.605 -0.700 5.389 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.205 -3.373 4.952 1.00 0.00 C ATOM 0 H ILE A 64 11.346 -3.159 2.767 1.00 0.00 H new ATOM 0 HA ILE A 64 10.178 -0.493 2.703 1.00 0.00 H new ATOM 0 HB ILE A 64 10.710 -2.491 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.125 -1.801 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.146 -3.151 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.053 -1.157 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.473 -0.173 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.959 0.005 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.337 -3.893 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.928 -4.103 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.891 -2.731 5.775 1.00 0.00 H new ATOM 961 N LYS A 65 11.933 0.971 3.743 1.00 0.00 N ATOM 962 CA LYS A 65 13.044 1.833 4.256 1.00 0.00 C ATOM 963 C LYS A 65 12.564 2.646 5.456 1.00 0.00 C ATOM 964 O LYS A 65 11.498 3.229 5.440 1.00 0.00 O ATOM 965 CB LYS A 65 13.483 2.785 3.145 1.00 0.00 C ATOM 966 CG LYS A 65 14.125 1.976 2.018 1.00 0.00 C ATOM 967 CD LYS A 65 14.546 2.915 0.888 1.00 0.00 C ATOM 968 CE LYS A 65 15.120 2.095 -0.270 1.00 0.00 C ATOM 969 NZ LYS A 65 16.393 1.449 0.160 1.00 0.00 N ATOM 0 H LYS A 65 11.143 1.480 3.345 1.00 0.00 H new ATOM 0 HA LYS A 65 13.879 1.204 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.626 3.342 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.192 3.516 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.992 1.433 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.421 1.233 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.690 3.497 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.290 3.625 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.403 1.336 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.299 2.739 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.925 1.139 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.963 2.131 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.180 0.626 0.758 1.00 0.00 H new ATOM 983 N ASP A 66 13.358 2.688 6.496 1.00 0.00 N ATOM 984 CA ASP A 66 12.984 3.461 7.718 1.00 0.00 C ATOM 985 C ASP A 66 13.788 4.759 7.765 1.00 0.00 C ATOM 986 O ASP A 66 15.001 4.757 7.691 1.00 0.00 O ATOM 987 CB ASP A 66 13.276 2.617 8.961 1.00 0.00 C ATOM 988 CG ASP A 66 14.751 2.212 8.979 1.00 0.00 C ATOM 989 OD1 ASP A 66 15.421 2.446 7.987 1.00 0.00 O ATOM 990 OD2 ASP A 66 15.183 1.670 9.982 1.00 0.00 O ATOM 0 H ASP A 66 14.260 2.214 6.550 1.00 0.00 H new ATOM 0 HA ASP A 66 11.921 3.702 7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.034 3.183 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.645 1.728 8.964 1.00 0.00 H new ATOM 995 N GLU A 67 13.114 5.872 7.880 1.00 0.00 N ATOM 996 CA GLU A 67 13.816 7.184 7.928 1.00 0.00 C ATOM 997 C GLU A 67 13.934 7.629 9.387 1.00 0.00 C ATOM 998 O GLU A 67 14.704 8.508 9.719 1.00 0.00 O ATOM 999 CB GLU A 67 12.988 8.211 7.146 1.00 0.00 C ATOM 1000 CG GLU A 67 12.939 7.828 5.657 1.00 0.00 C ATOM 1001 CD GLU A 67 11.863 6.760 5.422 1.00 0.00 C ATOM 1002 OE1 GLU A 67 11.285 6.301 6.393 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.636 6.421 4.272 1.00 0.00 O ATOM 0 H GLU A 67 12.097 5.927 7.943 1.00 0.00 H new ATOM 0 HA GLU A 67 14.811 7.100 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.977 8.258 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.424 9.204 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.725 8.710 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.911 7.452 5.338 1.00 0.00 H new ATOM 1010 N VAL A 68 13.167 7.031 10.261 1.00 0.00 N ATOM 1011 CA VAL A 68 13.222 7.421 11.703 1.00 0.00 C ATOM 1012 C VAL A 68 14.191 6.511 12.462 1.00 0.00 C ATOM 1013 O VAL A 68 14.250 5.318 12.238 1.00 0.00 O ATOM 1014 CB VAL A 68 11.824 7.311 12.315 1.00 0.00 C ATOM 1015 CG1 VAL A 68 10.929 8.399 11.723 1.00 0.00 C ATOM 1016 CG2 VAL A 68 11.225 5.937 12.007 1.00 0.00 C ATOM 0 H VAL A 68 12.504 6.288 10.039 1.00 0.00 H new ATOM 0 HA VAL A 68 13.574 8.450 11.779 1.00 0.00 H new ATOM 0 HB VAL A 68 11.893 7.436 13.396 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.931 8.325 12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.350 9.379 11.948 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.866 8.270 10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.230 5.867 12.446 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.155 5.804 10.927 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.863 5.159 12.428 1.00 0.00 H new ATOM 1026 N LEU A 69 14.951 7.075 13.362 1.00 0.00 N ATOM 1027 CA LEU A 69 15.921 6.264 14.151 1.00 0.00 C ATOM 1028 C LEU A 69 15.189 5.659 15.354 1.00 0.00 C ATOM 1029 O LEU A 69 15.756 4.929 16.141 1.00 0.00 O ATOM 1030 CB LEU A 69 17.053 7.181 14.633 1.00 0.00 C ATOM 1031 CG LEU A 69 18.052 7.408 13.492 1.00 0.00 C ATOM 1032 CD1 LEU A 69 17.349 8.108 12.324 1.00 0.00 C ATOM 1033 CD2 LEU A 69 19.208 8.282 13.990 1.00 0.00 C ATOM 0 H LEU A 69 14.941 8.070 13.586 1.00 0.00 H new ATOM 0 HA LEU A 69 16.340 5.464 13.541 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.645 8.135 14.967 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.558 6.733 15.489 1.00 0.00 H new ATOM 0 HG LEU A 69 18.441 6.447 13.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.061 8.268 11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 69 16.528 7.486 11.968 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.957 9.069 12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 19.918 8.443 13.179 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.819 9.242 14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.711 7.783 14.818 1.00 0.00 H new ATOM 1045 N GLU A 70 13.928 5.960 15.494 1.00 0.00 N ATOM 1046 CA GLU A 70 13.142 5.408 16.635 1.00 0.00 C ATOM 1047 C GLU A 70 13.853 5.701 17.957 1.00 0.00 C ATOM 1048 O GLU A 70 13.624 6.718 18.583 1.00 0.00 O ATOM 1049 CB GLU A 70 12.982 3.892 16.469 1.00 0.00 C ATOM 1050 CG GLU A 70 12.156 3.335 17.634 1.00 0.00 C ATOM 1051 CD GLU A 70 11.903 1.843 17.418 1.00 0.00 C ATOM 1052 OE1 GLU A 70 12.545 1.273 16.553 1.00 0.00 O ATOM 1053 OE2 GLU A 70 11.071 1.297 18.123 1.00 0.00 O ATOM 0 H GLU A 70 13.404 6.568 14.864 1.00 0.00 H new ATOM 0 HA GLU A 70 12.160 5.880 16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.491 3.669 15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.961 3.413 16.441 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.684 3.492 18.575 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.208 3.868 17.708 1.00 0.00 H new ATOM 1060 N HIS A 71 14.703 4.809 18.400 1.00 0.00 N ATOM 1061 CA HIS A 71 15.416 5.024 19.692 1.00 0.00 C ATOM 1062 C HIS A 71 16.844 4.493 19.585 1.00 0.00 C ATOM 1063 O HIS A 71 17.133 3.606 18.808 1.00 0.00 O ATOM 1064 CB HIS A 71 14.676 4.284 20.806 1.00 0.00 C ATOM 1065 CG HIS A 71 13.351 4.951 21.052 1.00 0.00 C ATOM 1066 ND1 HIS A 71 12.145 4.341 20.743 1.00 0.00 N ATOM 1067 CD2 HIS A 71 13.027 6.178 21.575 1.00 0.00 C ATOM 1068 CE1 HIS A 71 11.161 5.195 21.082 1.00 0.00 C ATOM 1069 NE2 HIS A 71 11.644 6.329 21.594 1.00 0.00 N ATOM 0 H HIS A 71 14.933 3.939 17.920 1.00 0.00 H new ATOM 0 HA HIS A 71 15.446 6.090 19.919 1.00 0.00 H new ATOM 0 HB2 HIS A 71 14.525 3.241 20.527 1.00 0.00 H new ATOM 0 HB3 HIS A 71 15.272 4.287 21.718 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.738 6.915 21.920 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.109 4.988 20.955 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.113 7.134 21.928 1.00 0.00 H new ATOM 1077 N HIS A 72 17.739 5.042 20.357 1.00 0.00 N ATOM 1078 CA HIS A 72 19.157 4.593 20.304 1.00 0.00 C ATOM 1079 C HIS A 72 19.335 3.275 21.067 1.00 0.00 C ATOM 1080 O HIS A 72 18.507 2.886 21.866 1.00 0.00 O ATOM 1081 CB HIS A 72 20.038 5.668 20.935 1.00 0.00 C ATOM 1082 CG HIS A 72 21.473 5.234 20.873 1.00 0.00 C ATOM 1083 ND1 HIS A 72 22.159 5.126 19.675 1.00 0.00 N ATOM 1084 CD2 HIS A 72 22.365 4.872 21.852 1.00 0.00 C ATOM 1085 CE1 HIS A 72 23.408 4.716 19.959 1.00 0.00 C ATOM 1086 NE2 HIS A 72 23.587 4.546 21.272 1.00 0.00 N ATOM 0 H HIS A 72 17.547 5.787 21.027 1.00 0.00 H new ATOM 0 HA HIS A 72 19.442 4.432 19.264 1.00 0.00 H new ATOM 0 HB2 HIS A 72 19.909 6.614 20.409 1.00 0.00 H new ATOM 0 HB3 HIS A 72 19.741 5.836 21.970 1.00 0.00 H new ATOM 0 HD2 HIS A 72 22.151 4.845 22.910 1.00 0.00 H new ATOM 0 HE1 HIS A 72 24.173 4.545 19.216 1.00 0.00 H new ATOM 0 HE2 HIS A 72 24.437 4.242 21.747 1.00 0.00 H new ATOM 1094 N HIS A 73 20.417 2.586 20.816 1.00 0.00 N ATOM 1095 CA HIS A 73 20.663 1.291 21.510 1.00 0.00 C ATOM 1096 C HIS A 73 20.987 1.528 22.989 1.00 0.00 C ATOM 1097 O HIS A 73 21.798 2.365 23.337 1.00 0.00 O ATOM 1098 CB HIS A 73 21.841 0.580 20.837 1.00 0.00 C ATOM 1099 CG HIS A 73 21.420 0.094 19.476 1.00 0.00 C ATOM 1100 ND1 HIS A 73 21.535 0.881 18.339 1.00 0.00 N ATOM 1101 CD2 HIS A 73 20.880 -1.095 19.054 1.00 0.00 C ATOM 1102 CE1 HIS A 73 21.071 0.162 17.300 1.00 0.00 C ATOM 1103 NE2 HIS A 73 20.659 -1.050 17.681 1.00 0.00 N ATOM 0 H HIS A 73 21.143 2.867 20.157 1.00 0.00 H new ATOM 0 HA HIS A 73 19.766 0.675 21.444 1.00 0.00 H new ATOM 0 HB2 HIS A 73 22.687 1.261 20.746 1.00 0.00 H new ATOM 0 HB3 HIS A 73 22.171 -0.259 21.449 1.00 0.00 H new ATOM 0 HD2 HIS A 73 20.660 -1.938 19.692 1.00 0.00 H new ATOM 0 HE1 HIS A 73 21.036 0.521 16.282 1.00 0.00 H new ATOM 0 HE2 HIS A 73 20.267 -1.785 17.092 1.00 0.00 H new ATOM 1111 N HIS A 74 20.354 0.786 23.860 1.00 0.00 N ATOM 1112 CA HIS A 74 20.609 0.941 25.321 1.00 0.00 C ATOM 1113 C HIS A 74 21.827 0.101 25.715 1.00 0.00 C ATOM 1114 O HIS A 74 22.382 0.258 26.784 1.00 0.00 O ATOM 1115 CB HIS A 74 19.377 0.473 26.098 1.00 0.00 C ATOM 1116 CG HIS A 74 19.103 -0.977 25.797 1.00 0.00 C ATOM 1117 ND1 HIS A 74 18.381 -1.379 24.683 1.00 0.00 N ATOM 1118 CD2 HIS A 74 19.437 -2.131 26.462 1.00 0.00 C ATOM 1119 CE1 HIS A 74 18.305 -2.724 24.712 1.00 0.00 C ATOM 1120 NE2 HIS A 74 18.932 -3.232 25.776 1.00 0.00 N ATOM 0 H HIS A 74 19.665 0.073 23.618 1.00 0.00 H new ATOM 0 HA HIS A 74 20.806 1.987 25.555 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.538 0.608 27.168 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.513 1.080 25.827 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.006 -2.177 27.379 1.00 0.00 H new ATOM 0 HE1 HIS A 74 17.799 -3.319 23.966 1.00 0.00 H new ATOM 0 HE2 HIS A 74 19.022 -4.215 26.031 1.00 0.00 H new ATOM 1128 N HIS A 75 22.245 -0.788 24.858 1.00 0.00 N ATOM 1129 CA HIS A 75 23.427 -1.635 25.179 1.00 0.00 C ATOM 1130 C HIS A 75 24.674 -0.751 25.260 1.00 0.00 C ATOM 1131 O HIS A 75 25.528 -0.938 26.104 1.00 0.00 O ATOM 1132 CB HIS A 75 23.619 -2.679 24.079 1.00 0.00 C ATOM 1133 CG HIS A 75 22.535 -3.719 24.165 1.00 0.00 C ATOM 1134 ND1 HIS A 75 21.315 -3.571 23.524 1.00 0.00 N ATOM 1135 CD2 HIS A 75 22.475 -4.929 24.812 1.00 0.00 C ATOM 1136 CE1 HIS A 75 20.580 -4.665 23.795 1.00 0.00 C ATOM 1137 NE2 HIS A 75 21.239 -5.525 24.576 1.00 0.00 N ATOM 0 H HIS A 75 21.819 -0.965 23.948 1.00 0.00 H new ATOM 0 HA HIS A 75 23.268 -2.136 26.134 1.00 0.00 H new ATOM 0 HB2 HIS A 75 23.597 -2.198 23.101 1.00 0.00 H new ATOM 0 HB3 HIS A 75 24.596 -3.151 24.180 1.00 0.00 H new ATOM 0 HD2 HIS A 75 23.266 -5.354 25.412 1.00 0.00 H new ATOM 0 HE1 HIS A 75 19.578 -4.828 23.426 1.00 0.00 H new ATOM 0 HE2 HIS A 75 20.908 -6.425 24.925 1.00 0.00 H new ATOM 1145 N HIS A 76 24.787 0.207 24.380 1.00 0.00 N ATOM 1146 CA HIS A 76 25.979 1.101 24.396 1.00 0.00 C ATOM 1147 C HIS A 76 25.778 2.204 25.437 1.00 0.00 C ATOM 1148 O HIS A 76 24.638 2.459 25.791 1.00 0.00 O ATOM 1149 CB HIS A 76 26.155 1.731 23.014 1.00 0.00 C ATOM 1150 CG HIS A 76 26.410 0.651 21.998 1.00 0.00 C ATOM 1151 ND1 HIS A 76 27.401 -0.303 22.168 1.00 0.00 N ATOM 1152 CD2 HIS A 76 25.817 0.366 20.793 1.00 0.00 C ATOM 1153 CE1 HIS A 76 27.375 -1.110 21.091 1.00 0.00 C ATOM 1154 NE2 HIS A 76 26.429 -0.747 20.222 1.00 0.00 N ATOM 1155 OXT HIS A 76 26.769 2.777 25.861 1.00 0.00 O ATOM 0 H HIS A 76 24.104 0.409 23.650 1.00 0.00 H new ATOM 0 HA HIS A 76 26.866 0.522 24.651 1.00 0.00 H new ATOM 0 HB2 HIS A 76 25.263 2.296 22.744 1.00 0.00 H new ATOM 0 HB3 HIS A 76 26.986 2.436 23.027 1.00 0.00 H new ATOM 0 HD2 HIS A 76 25.000 0.920 20.355 1.00 0.00 H new ATOM 0 HE1 HIS A 76 28.039 -1.949 20.947 1.00 0.00 H new ATOM 0 HE2 HIS A 76 26.203 -1.190 19.331 1.00 0.00 H new TER 1163 HIS A 76