USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 962 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 70 SER OG : rot -155:sc= 0.649 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0.599 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 174:sc= 1.28 (180deg=-0.997) USER MOD Set 2.2: A 49 SER OG : rot -6:sc= 0.847 USER MOD Set 2.3: A 80 THR OG1 : rot 160:sc= 0.696 USER MOD Set 3.1: A 11 MET CE :methyl 143:sc= -2.59! (180deg=-4.59!) USER MOD Set 3.2: A 18 GLN : amide:sc= -0.857 K(o=-3.5,f=-4.7) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.239 (180deg=-0.819) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.25 (180deg=1.17) USER MOD Single : A 2 THR OG1 : rot 72:sc= 0.424 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0248 F(o=-1.2!,f=-0.025) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 72:sc= 0.0108 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -120:sc= -0.895 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ -113:sc= 1.23 (180deg=-0.223) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.49 (180deg=1.36) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.099) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00767) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -9:sc= 0.892 USER MOD Single : A 62 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.39) USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.408 K(o=0.41,f=-11!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -165:sc= 0.534 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 91 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.25) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 87:sc= 1.08 USER MOD Single : A 100 TYR OH : rot 80:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.31) USER MOD Single : A 102 GLN :FLIP amide:sc= -1.05 F(o=-3.1!,f=-1) USER MOD Single : A 105 ASN : amide:sc= -0.0405 K(o=-0.041,f=-0.88) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.09) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.611 -10.255 11.226 1.00 0.00 N ATOM 2 CA MET A 1 -3.551 -9.416 10.452 1.00 0.00 C ATOM 3 C MET A 1 -3.598 -9.857 9.001 1.00 0.00 C ATOM 4 O MET A 1 -2.563 -10.007 8.352 1.00 0.00 O ATOM 5 CB MET A 1 -3.148 -7.945 10.525 1.00 0.00 C ATOM 6 CG MET A 1 -4.052 -7.020 9.722 1.00 0.00 C ATOM 7 SD MET A 1 -3.569 -5.292 9.846 1.00 0.00 S ATOM 8 CE MET A 1 -1.921 -5.355 9.153 1.00 0.00 C ATOM 0 H1 MET A 1 -2.658 -9.992 12.231 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.870 -11.256 11.118 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.644 -10.108 10.874 1.00 0.00 H new ATOM 0 HA MET A 1 -4.541 -9.536 10.891 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.153 -7.628 11.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.125 -7.840 10.165 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.036 -7.323 8.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.079 -7.131 10.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.623 -4.357 8.831 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.222 -5.716 9.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.912 -6.030 8.297 1.00 0.00 H new ATOM 20 N THR A 2 -4.804 -10.072 8.504 1.00 0.00 N ATOM 21 CA THR A 2 -5.006 -10.442 7.119 1.00 0.00 C ATOM 22 C THR A 2 -5.622 -9.285 6.332 1.00 0.00 C ATOM 23 O THR A 2 -5.825 -8.191 6.871 1.00 0.00 O ATOM 24 CB THR A 2 -5.894 -11.697 7.010 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.122 -12.248 8.315 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.233 -12.744 6.126 1.00 0.00 C ATOM 0 H THR A 2 -5.664 -9.995 9.047 1.00 0.00 H new ATOM 0 HA THR A 2 -4.032 -10.672 6.688 1.00 0.00 H new ATOM 0 HB THR A 2 -6.846 -11.409 6.564 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.732 -11.665 8.814 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.875 -13.623 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.078 -12.333 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.272 -13.028 6.554 1.00 0.00 H new ATOM 34 N ILE A 3 -5.918 -9.536 5.065 1.00 0.00 N ATOM 35 CA ILE A 3 -6.388 -8.502 4.152 1.00 0.00 C ATOM 36 C ILE A 3 -7.660 -7.811 4.655 1.00 0.00 C ATOM 37 O ILE A 3 -7.756 -6.584 4.615 1.00 0.00 O ATOM 38 CB ILE A 3 -6.649 -9.097 2.755 1.00 0.00 C ATOM 39 CG1 ILE A 3 -5.357 -9.666 2.169 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.241 -8.051 1.816 1.00 0.00 C ATOM 41 CD1 ILE A 3 -5.542 -10.361 0.833 1.00 0.00 C ATOM 0 H ILE A 3 -5.840 -10.460 4.641 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.600 -7.751 4.096 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.373 -9.905 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.636 -8.857 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.928 -10.373 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.415 -8.498 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.185 -7.689 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.546 -7.217 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.581 -10.737 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.237 -11.193 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.941 -9.653 0.107 1.00 0.00 H new ATOM 53 N SER A 4 -8.626 -8.588 5.137 1.00 0.00 N ATOM 54 CA SER A 4 -9.905 -8.029 5.568 1.00 0.00 C ATOM 55 C SER A 4 -9.722 -7.070 6.744 1.00 0.00 C ATOM 56 O SER A 4 -10.323 -5.995 6.774 1.00 0.00 O ATOM 57 CB SER A 4 -10.878 -9.150 5.937 1.00 0.00 C ATOM 58 OG SER A 4 -11.012 -10.072 4.867 1.00 0.00 O ATOM 0 H SER A 4 -8.549 -9.600 5.239 1.00 0.00 H new ATOM 0 HA SER A 4 -10.322 -7.462 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.522 -9.668 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.852 -8.726 6.182 1.00 0.00 H new ATOM 0 HG SER A 4 -11.637 -10.782 5.123 1.00 0.00 H new ATOM 64 N GLU A 5 -8.881 -7.451 7.701 1.00 0.00 N ATOM 65 CA GLU A 5 -8.606 -6.597 8.850 1.00 0.00 C ATOM 66 C GLU A 5 -7.876 -5.337 8.407 1.00 0.00 C ATOM 67 O GLU A 5 -8.116 -4.255 8.940 1.00 0.00 O ATOM 68 CB GLU A 5 -7.771 -7.321 9.910 1.00 0.00 C ATOM 69 CG GLU A 5 -8.373 -8.629 10.385 1.00 0.00 C ATOM 70 CD GLU A 5 -7.876 -9.817 9.596 1.00 0.00 C ATOM 71 OE1 GLU A 5 -8.415 -10.089 8.505 1.00 0.00 O ATOM 72 OE2 GLU A 5 -6.933 -10.486 10.067 1.00 0.00 O ATOM 0 H GLU A 5 -8.381 -8.340 7.704 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.566 -6.332 9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.778 -7.516 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.640 -6.661 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.136 -8.772 11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.459 -8.574 10.307 1.00 0.00 H new ATOM 79 N LEU A 6 -6.993 -5.488 7.427 1.00 0.00 N ATOM 80 CA LEU A 6 -6.251 -4.361 6.878 1.00 0.00 C ATOM 81 C LEU A 6 -7.209 -3.376 6.221 1.00 0.00 C ATOM 82 O LEU A 6 -7.113 -2.164 6.425 1.00 0.00 O ATOM 83 CB LEU A 6 -5.219 -4.858 5.861 1.00 0.00 C ATOM 84 CG LEU A 6 -4.276 -3.788 5.309 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.454 -3.169 6.427 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.367 -4.380 4.245 1.00 0.00 C ATOM 0 H LEU A 6 -6.773 -6.385 6.995 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.727 -3.852 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.620 -5.640 6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.748 -5.318 5.026 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.878 -3.002 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.790 -2.410 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.120 -2.709 7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.861 -3.943 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.702 -3.606 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.774 -5.185 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.972 -4.775 3.429 1.00 0.00 H new ATOM 98 N LEU A 7 -8.141 -3.912 5.443 1.00 0.00 N ATOM 99 CA LEU A 7 -9.166 -3.102 4.802 1.00 0.00 C ATOM 100 C LEU A 7 -10.021 -2.404 5.851 1.00 0.00 C ATOM 101 O LEU A 7 -10.333 -1.221 5.721 1.00 0.00 O ATOM 102 CB LEU A 7 -10.053 -3.967 3.900 1.00 0.00 C ATOM 103 CG LEU A 7 -9.326 -4.679 2.756 1.00 0.00 C ATOM 104 CD1 LEU A 7 -10.303 -5.507 1.936 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.604 -3.674 1.871 1.00 0.00 C ATOM 0 H LEU A 7 -8.207 -4.910 5.241 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.671 -2.350 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.548 -4.717 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.835 -3.337 3.475 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.584 -5.350 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.768 -6.006 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.773 -6.254 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.069 -4.855 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.094 -4.200 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.327 -2.976 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.873 -3.125 2.465 1.00 0.00 H new ATOM 117 N GLN A 8 -10.382 -3.142 6.895 1.00 0.00 N ATOM 118 CA GLN A 8 -11.163 -2.595 7.999 1.00 0.00 C ATOM 119 C GLN A 8 -10.417 -1.436 8.659 1.00 0.00 C ATOM 120 O GLN A 8 -10.992 -0.380 8.924 1.00 0.00 O ATOM 121 CB GLN A 8 -11.444 -3.688 9.033 1.00 0.00 C ATOM 122 CG GLN A 8 -12.344 -3.240 10.173 1.00 0.00 C ATOM 123 CD GLN A 8 -12.484 -4.290 11.261 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.430 -5.058 11.497 1.00 0.00 O flip ATOM 125 NE2 GLN A 8 -13.526 -4.399 11.901 1.00 0.00 N flip ATOM 0 H GLN A 8 -10.144 -4.128 7.000 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.108 -2.223 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.905 -4.539 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.497 -4.036 9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.943 -2.324 10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.331 -3.000 9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.318 -3.791 11.693 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.599 -5.097 12.641 1.00 0.00 H new ATOM 134 N TYR A 9 -9.127 -1.641 8.896 1.00 0.00 N ATOM 135 CA TYR A 9 -8.288 -0.636 9.534 1.00 0.00 C ATOM 136 C TYR A 9 -8.209 0.629 8.680 1.00 0.00 C ATOM 137 O TYR A 9 -8.295 1.742 9.194 1.00 0.00 O ATOM 138 CB TYR A 9 -6.887 -1.206 9.771 1.00 0.00 C ATOM 139 CG TYR A 9 -5.994 -0.322 10.617 1.00 0.00 C ATOM 140 CD1 TYR A 9 -6.044 -0.381 12.002 1.00 0.00 C ATOM 141 CD2 TYR A 9 -5.099 0.563 10.029 1.00 0.00 C ATOM 142 CE1 TYR A 9 -5.230 0.420 12.779 1.00 0.00 C ATOM 143 CE2 TYR A 9 -4.281 1.366 10.800 1.00 0.00 C ATOM 144 CZ TYR A 9 -4.350 1.289 12.174 1.00 0.00 C ATOM 145 OH TYR A 9 -3.537 2.087 12.944 1.00 0.00 O ATOM 0 H TYR A 9 -8.637 -2.502 8.653 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.733 -0.369 10.493 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.979 -2.179 10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.407 -1.373 8.807 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.730 -1.064 12.480 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.042 0.624 8.952 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.284 0.365 13.856 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.591 2.050 10.328 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.976 2.641 12.362 1.00 0.00 H new ATOM 155 N CYS A 10 -8.060 0.445 7.373 1.00 0.00 N ATOM 156 CA CYS A 10 -7.985 1.560 6.438 1.00 0.00 C ATOM 157 C CYS A 10 -9.340 2.248 6.283 1.00 0.00 C ATOM 158 O CYS A 10 -9.427 3.334 5.724 1.00 0.00 O ATOM 159 CB CYS A 10 -7.487 1.073 5.078 1.00 0.00 C ATOM 160 SG CYS A 10 -5.890 0.231 5.141 1.00 0.00 S ATOM 0 H CYS A 10 -7.988 -0.473 6.935 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.281 2.288 6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.227 0.395 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.411 1.926 4.404 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.034 -0.932 5.705 1.00 0.00 H new ATOM 166 N MET A 11 -10.398 1.604 6.759 1.00 0.00 N ATOM 167 CA MET A 11 -11.716 2.225 6.752 1.00 0.00 C ATOM 168 C MET A 11 -11.891 3.088 7.987 1.00 0.00 C ATOM 169 O MET A 11 -12.490 4.160 7.927 1.00 0.00 O ATOM 170 CB MET A 11 -12.827 1.175 6.678 1.00 0.00 C ATOM 171 CG MET A 11 -12.936 0.466 5.334 1.00 0.00 C ATOM 172 SD MET A 11 -13.840 1.407 4.076 1.00 0.00 S ATOM 173 CE MET A 11 -12.722 2.762 3.710 1.00 0.00 C ATOM 0 H MET A 11 -10.371 0.663 7.151 1.00 0.00 H new ATOM 0 HA MET A 11 -11.789 2.852 5.863 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.658 0.430 7.455 1.00 0.00 H new ATOM 0 HB3 MET A 11 -13.780 1.656 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.933 0.255 4.964 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.431 -0.494 5.480 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.767 2.993 2.646 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.015 3.641 4.285 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.704 2.476 3.977 1.00 0.00 H new ATOM 183 N ALA A 12 -11.345 2.617 9.104 1.00 0.00 N ATOM 184 CA ALA A 12 -11.359 3.377 10.344 1.00 0.00 C ATOM 185 C ALA A 12 -10.337 4.502 10.279 1.00 0.00 C ATOM 186 O ALA A 12 -10.306 5.390 11.132 1.00 0.00 O ATOM 187 CB ALA A 12 -11.070 2.469 11.530 1.00 0.00 C ATOM 0 H ALA A 12 -10.886 1.709 9.173 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.351 3.809 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.085 3.055 12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.830 1.689 11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.088 2.011 11.407 1.00 0.00 H new ATOM 193 N LYS A 13 -9.493 4.444 9.261 1.00 0.00 N ATOM 194 CA LYS A 13 -8.512 5.480 9.008 1.00 0.00 C ATOM 195 C LYS A 13 -9.021 6.417 7.916 1.00 0.00 C ATOM 196 O LYS A 13 -8.973 6.088 6.732 1.00 0.00 O ATOM 197 CB LYS A 13 -7.179 4.853 8.610 1.00 0.00 C ATOM 198 CG LYS A 13 -6.064 5.865 8.461 1.00 0.00 C ATOM 199 CD LYS A 13 -4.703 5.227 8.649 1.00 0.00 C ATOM 200 CE LYS A 13 -3.587 6.249 8.486 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.240 5.663 8.722 1.00 0.00 N ATOM 0 H LYS A 13 -9.471 3.677 8.589 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.357 6.061 9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.894 4.116 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.303 4.318 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.118 6.324 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.196 6.663 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.644 4.776 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.572 4.423 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.626 6.668 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.748 7.073 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.515 6.398 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.190 5.286 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.072 4.894 8.042 1.00 0.00 H new ATOM 215 N PRO A 14 -9.531 7.593 8.312 1.00 0.00 N ATOM 216 CA PRO A 14 -10.163 8.547 7.392 1.00 0.00 C ATOM 217 C PRO A 14 -9.222 9.036 6.300 1.00 0.00 C ATOM 218 O PRO A 14 -7.998 9.000 6.445 1.00 0.00 O ATOM 219 CB PRO A 14 -10.572 9.712 8.298 1.00 0.00 C ATOM 220 CG PRO A 14 -10.595 9.145 9.671 1.00 0.00 C ATOM 221 CD PRO A 14 -9.522 8.098 9.692 1.00 0.00 C ATOM 0 HA PRO A 14 -10.995 8.087 6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.863 10.537 8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.549 10.105 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.405 9.917 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.569 8.713 9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.553 8.518 9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.740 7.310 10.412 1.00 0.00 H new ATOM 229 N GLY A 15 -9.806 9.489 5.203 1.00 0.00 N ATOM 230 CA GLY A 15 -9.021 9.960 4.083 1.00 0.00 C ATOM 231 C GLY A 15 -8.797 8.873 3.056 1.00 0.00 C ATOM 232 O GLY A 15 -8.792 9.134 1.852 1.00 0.00 O ATOM 0 H GLY A 15 -10.816 9.539 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.527 10.804 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.059 10.325 4.442 1.00 0.00 H new ATOM 236 N ALA A 16 -8.630 7.650 3.533 1.00 0.00 N ATOM 237 CA ALA A 16 -8.388 6.516 2.664 1.00 0.00 C ATOM 238 C ALA A 16 -9.693 5.981 2.094 1.00 0.00 C ATOM 239 O ALA A 16 -10.642 5.695 2.828 1.00 0.00 O ATOM 240 CB ALA A 16 -7.650 5.423 3.420 1.00 0.00 C ATOM 0 H ALA A 16 -8.658 7.419 4.526 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.767 6.848 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.474 4.577 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.695 5.809 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.251 5.099 4.270 1.00 0.00 H new ATOM 246 N GLU A 17 -9.741 5.875 0.780 1.00 0.00 N ATOM 247 CA GLU A 17 -10.878 5.292 0.097 1.00 0.00 C ATOM 248 C GLU A 17 -10.416 4.078 -0.695 1.00 0.00 C ATOM 249 O GLU A 17 -9.348 4.097 -1.313 1.00 0.00 O ATOM 250 CB GLU A 17 -11.540 6.318 -0.826 1.00 0.00 C ATOM 251 CG GLU A 17 -12.810 5.810 -1.492 1.00 0.00 C ATOM 252 CD GLU A 17 -13.458 6.844 -2.386 1.00 0.00 C ATOM 253 OE1 GLU A 17 -13.076 6.932 -3.571 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.352 7.568 -1.913 1.00 0.00 O ATOM 0 H GLU A 17 -8.996 6.189 0.159 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.619 4.982 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.775 7.213 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.828 6.613 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.576 4.923 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.520 5.504 -0.724 1.00 0.00 H new ATOM 261 N GLN A 18 -11.212 3.023 -0.663 1.00 0.00 N ATOM 262 CA GLN A 18 -10.836 1.769 -1.294 1.00 0.00 C ATOM 263 C GLN A 18 -11.619 1.541 -2.579 1.00 0.00 C ATOM 264 O GLN A 18 -12.851 1.586 -2.588 1.00 0.00 O ATOM 265 CB GLN A 18 -11.058 0.612 -0.319 1.00 0.00 C ATOM 266 CG GLN A 18 -10.155 0.683 0.900 1.00 0.00 C ATOM 267 CD GLN A 18 -10.585 -0.247 2.014 1.00 0.00 C ATOM 268 OE1 GLN A 18 -11.180 -1.299 1.777 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.279 0.132 3.242 1.00 0.00 N ATOM 0 H GLN A 18 -12.124 3.010 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.779 1.819 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.099 0.612 0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.886 -0.331 -0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.135 0.438 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.141 1.706 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.785 1.011 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.536 -0.455 4.036 1.00 0.00 H new ATOM 278 N SER A 19 -10.893 1.316 -3.659 1.00 0.00 N ATOM 279 CA SER A 19 -11.496 1.039 -4.952 1.00 0.00 C ATOM 280 C SER A 19 -11.150 -0.378 -5.398 1.00 0.00 C ATOM 281 O SER A 19 -9.974 -0.716 -5.557 1.00 0.00 O ATOM 282 CB SER A 19 -10.992 2.049 -5.987 1.00 0.00 C ATOM 283 OG SER A 19 -11.095 3.379 -5.500 1.00 0.00 O ATOM 0 H SER A 19 -9.873 1.320 -3.666 1.00 0.00 H new ATOM 0 HA SER A 19 -12.579 1.127 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.954 1.830 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.569 1.950 -6.906 1.00 0.00 H new ATOM 0 HG SER A 19 -11.679 3.899 -6.091 1.00 0.00 H new ATOM 289 N VAL A 20 -12.159 -1.214 -5.582 1.00 0.00 N ATOM 290 CA VAL A 20 -11.928 -2.592 -5.970 1.00 0.00 C ATOM 291 C VAL A 20 -12.921 -3.052 -7.036 1.00 0.00 C ATOM 292 O VAL A 20 -14.117 -2.763 -6.967 1.00 0.00 O ATOM 293 CB VAL A 20 -11.994 -3.529 -4.746 1.00 0.00 C ATOM 294 CG1 VAL A 20 -13.370 -3.498 -4.096 1.00 0.00 C ATOM 295 CG2 VAL A 20 -11.604 -4.952 -5.127 1.00 0.00 C ATOM 0 H VAL A 20 -13.141 -0.962 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.926 -2.641 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.274 -3.165 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.382 -4.169 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.594 -2.483 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.121 -3.819 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.659 -5.592 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.288 -5.325 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.586 -4.958 -5.517 1.00 0.00 H new ATOM 305 N HIS A 21 -12.399 -3.733 -8.042 1.00 0.00 N ATOM 306 CA HIS A 21 -13.222 -4.363 -9.060 1.00 0.00 C ATOM 307 C HIS A 21 -13.066 -5.875 -8.983 1.00 0.00 C ATOM 308 O HIS A 21 -11.942 -6.391 -8.975 1.00 0.00 O ATOM 309 CB HIS A 21 -12.840 -3.865 -10.456 1.00 0.00 C ATOM 310 CG HIS A 21 -13.329 -2.483 -10.758 1.00 0.00 C ATOM 311 ND1 HIS A 21 -12.605 -1.338 -10.483 1.00 0.00 N ATOM 312 CD2 HIS A 21 -14.486 -2.064 -11.323 1.00 0.00 C ATOM 313 CE1 HIS A 21 -13.298 -0.280 -10.863 1.00 0.00 C ATOM 314 NE2 HIS A 21 -14.439 -0.695 -11.378 1.00 0.00 N ATOM 0 H HIS A 21 -11.396 -3.864 -8.176 1.00 0.00 H new ATOM 0 HA HIS A 21 -14.263 -4.097 -8.878 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.755 -3.886 -10.555 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.241 -4.553 -11.200 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.295 -2.691 -11.666 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.984 0.749 -10.768 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -15.170 -0.093 -11.757 1.00 0.00 H new ATOM 323 N ASN A 22 -14.188 -6.582 -8.923 1.00 0.00 N ATOM 324 CA ASN A 22 -14.171 -8.035 -8.786 1.00 0.00 C ATOM 325 C ASN A 22 -13.908 -8.698 -10.131 1.00 0.00 C ATOM 326 O ASN A 22 -14.790 -9.315 -10.731 1.00 0.00 O ATOM 327 CB ASN A 22 -15.483 -8.554 -8.182 1.00 0.00 C ATOM 328 CG ASN A 22 -15.465 -10.057 -7.927 1.00 0.00 C ATOM 329 OD1 ASN A 22 -14.406 -10.658 -7.720 1.00 0.00 O ATOM 330 ND2 ASN A 22 -16.637 -10.674 -7.935 1.00 0.00 N ATOM 0 H ASN A 22 -15.122 -6.174 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.361 -8.294 -8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.676 -8.034 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.307 -8.315 -8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.686 -11.679 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.491 -10.144 -8.110 1.00 0.00 H new ATOM 337 N ASP A 23 -12.700 -8.503 -10.620 1.00 0.00 N ATOM 338 CA ASP A 23 -12.223 -9.202 -11.799 1.00 0.00 C ATOM 339 C ASP A 23 -11.243 -10.270 -11.353 1.00 0.00 C ATOM 340 O ASP A 23 -11.526 -11.463 -11.425 1.00 0.00 O ATOM 341 CB ASP A 23 -11.556 -8.228 -12.770 1.00 0.00 C ATOM 342 CG ASP A 23 -11.146 -8.896 -14.062 1.00 0.00 C ATOM 343 OD1 ASP A 23 -12.040 -9.348 -14.808 1.00 0.00 O ATOM 344 OD2 ASP A 23 -9.934 -8.965 -14.345 1.00 0.00 O ATOM 0 H ASP A 23 -12.022 -7.858 -10.214 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.061 -9.663 -12.323 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.242 -7.410 -12.989 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.678 -7.790 -12.296 1.00 0.00 H new ATOM 349 N TRP A 24 -10.095 -9.826 -10.873 1.00 0.00 N ATOM 350 CA TRP A 24 -9.177 -10.692 -10.151 1.00 0.00 C ATOM 351 C TRP A 24 -9.037 -10.171 -8.722 1.00 0.00 C ATOM 352 O TRP A 24 -8.406 -10.795 -7.870 1.00 0.00 O ATOM 353 CB TRP A 24 -7.815 -10.761 -10.856 1.00 0.00 C ATOM 354 CG TRP A 24 -7.042 -9.474 -10.846 1.00 0.00 C ATOM 355 CD1 TRP A 24 -7.432 -8.271 -11.360 1.00 0.00 C ATOM 356 CD2 TRP A 24 -5.728 -9.277 -10.314 1.00 0.00 C ATOM 357 NE1 TRP A 24 -6.446 -7.334 -11.163 1.00 0.00 N ATOM 358 CE2 TRP A 24 -5.388 -7.929 -10.523 1.00 0.00 C ATOM 359 CE3 TRP A 24 -4.808 -10.113 -9.674 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -4.164 -7.399 -10.117 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -3.597 -9.585 -9.272 1.00 0.00 C ATOM 362 CH2 TRP A 24 -3.283 -8.240 -9.495 1.00 0.00 C ATOM 0 H TRP A 24 -9.774 -8.863 -10.971 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.573 -11.707 -10.128 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.213 -11.535 -10.380 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -7.971 -11.068 -11.890 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.376 -8.083 -11.849 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.493 -6.355 -11.446 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.040 -11.153 -9.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.920 -6.361 -10.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.879 -10.222 -8.776 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.326 -7.859 -9.170 1.00 0.00 H new ATOM 373 N LYS A 25 -9.689 -9.025 -8.491 1.00 0.00 N ATOM 374 CA LYS A 25 -9.705 -8.332 -7.202 1.00 0.00 C ATOM 375 C LYS A 25 -8.362 -7.701 -6.855 1.00 0.00 C ATOM 376 O LYS A 25 -7.453 -8.351 -6.345 1.00 0.00 O ATOM 377 CB LYS A 25 -10.176 -9.238 -6.066 1.00 0.00 C ATOM 378 CG LYS A 25 -11.678 -9.468 -6.057 1.00 0.00 C ATOM 379 CD LYS A 25 -12.127 -10.084 -4.746 1.00 0.00 C ATOM 380 CE LYS A 25 -11.546 -11.472 -4.556 1.00 0.00 C ATOM 381 NZ LYS A 25 -11.656 -11.933 -3.149 1.00 0.00 N ATOM 0 H LYS A 25 -10.230 -8.546 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.428 -7.524 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.670 -10.200 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.878 -8.799 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.195 -8.521 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.954 -10.123 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.821 -9.444 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.215 -10.138 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.064 -12.174 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.498 -11.471 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.706 -12.008 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.220 -11.250 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.120 -12.864 -3.124 1.00 0.00 H new ATOM 395 N ALA A 26 -8.259 -6.419 -7.148 1.00 0.00 N ATOM 396 CA ALA A 26 -7.121 -5.619 -6.736 1.00 0.00 C ATOM 397 C ALA A 26 -7.629 -4.381 -6.018 1.00 0.00 C ATOM 398 O ALA A 26 -8.100 -3.437 -6.655 1.00 0.00 O ATOM 399 CB ALA A 26 -6.264 -5.238 -7.934 1.00 0.00 C ATOM 0 H ALA A 26 -8.961 -5.903 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.493 -6.200 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.417 -4.639 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.899 -6.142 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.861 -4.660 -8.640 1.00 0.00 H new ATOM 405 N THR A 27 -7.571 -4.400 -4.695 1.00 0.00 N ATOM 406 CA THR A 27 -8.115 -3.317 -3.901 1.00 0.00 C ATOM 407 C THR A 27 -7.128 -2.160 -3.840 1.00 0.00 C ATOM 408 O THR A 27 -6.022 -2.296 -3.315 1.00 0.00 O ATOM 409 CB THR A 27 -8.454 -3.791 -2.476 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.237 -4.995 -2.539 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.224 -2.721 -1.713 1.00 0.00 C ATOM 0 H THR A 27 -7.152 -5.155 -4.152 1.00 0.00 H new ATOM 0 HA THR A 27 -9.035 -2.979 -4.379 1.00 0.00 H new ATOM 0 HB THR A 27 -7.520 -3.986 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.450 -5.295 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.451 -3.082 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.620 -1.816 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.153 -2.498 -2.237 1.00 0.00 H new ATOM 419 N GLN A 28 -7.539 -1.030 -4.380 1.00 0.00 N ATOM 420 CA GLN A 28 -6.687 0.139 -4.456 1.00 0.00 C ATOM 421 C GLN A 28 -7.017 1.112 -3.333 1.00 0.00 C ATOM 422 O GLN A 28 -8.154 1.568 -3.210 1.00 0.00 O ATOM 423 CB GLN A 28 -6.852 0.811 -5.819 1.00 0.00 C ATOM 424 CG GLN A 28 -6.450 -0.091 -6.978 1.00 0.00 C ATOM 425 CD GLN A 28 -6.740 0.513 -8.339 1.00 0.00 C ATOM 426 OE1 GLN A 28 -7.698 1.269 -8.515 1.00 0.00 O ATOM 427 NE2 GLN A 28 -5.911 0.180 -9.313 1.00 0.00 N ATOM 0 H GLN A 28 -8.469 -0.897 -4.777 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.648 -0.170 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.891 1.114 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.249 1.719 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.385 -0.311 -6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.978 -1.041 -6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.130 -0.449 -9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.052 0.552 -10.252 1.00 0.00 H new ATOM 436 N ILE A 29 -6.025 1.409 -2.508 1.00 0.00 N ATOM 437 CA ILE A 29 -6.205 2.332 -1.400 1.00 0.00 C ATOM 438 C ILE A 29 -5.666 3.702 -1.787 1.00 0.00 C ATOM 439 O ILE A 29 -4.462 3.886 -1.968 1.00 0.00 O ATOM 440 CB ILE A 29 -5.496 1.836 -0.120 1.00 0.00 C ATOM 441 CG1 ILE A 29 -5.895 0.389 0.186 1.00 0.00 C ATOM 442 CG2 ILE A 29 -5.841 2.739 1.059 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.145 -0.216 1.356 1.00 0.00 C ATOM 0 H ILE A 29 -5.084 1.022 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.272 2.396 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.419 1.872 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.964 0.353 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.721 -0.221 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.335 2.378 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.517 3.757 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.919 2.728 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.481 -1.241 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.076 -0.213 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.338 0.370 2.254 1.00 0.00 H new ATOM 455 N LYS A 30 -6.568 4.651 -1.937 1.00 0.00 N ATOM 456 CA LYS A 30 -6.208 5.975 -2.407 1.00 0.00 C ATOM 457 C LYS A 30 -6.840 7.048 -1.535 1.00 0.00 C ATOM 458 O LYS A 30 -7.687 6.757 -0.695 1.00 0.00 O ATOM 459 CB LYS A 30 -6.681 6.160 -3.849 1.00 0.00 C ATOM 460 CG LYS A 30 -8.192 6.081 -3.990 1.00 0.00 C ATOM 461 CD LYS A 30 -8.654 6.464 -5.383 1.00 0.00 C ATOM 462 CE LYS A 30 -10.170 6.537 -5.446 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.714 7.540 -4.490 1.00 0.00 N ATOM 0 H LYS A 30 -7.561 4.529 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.123 6.071 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.337 7.126 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.222 5.397 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.525 5.068 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.659 6.741 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.227 7.428 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.290 5.734 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.480 6.794 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.591 5.557 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.751 7.467 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.329 7.359 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.442 8.496 -4.798 1.00 0.00 H new ATOM 477 N VAL A 31 -6.413 8.283 -1.733 1.00 0.00 N ATOM 478 CA VAL A 31 -7.075 9.423 -1.120 1.00 0.00 C ATOM 479 C VAL A 31 -8.265 9.812 -2.006 1.00 0.00 C ATOM 480 O VAL A 31 -9.018 8.938 -2.449 1.00 0.00 O ATOM 481 CB VAL A 31 -6.108 10.622 -0.957 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.561 11.536 0.176 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.681 10.140 -0.717 1.00 0.00 C ATOM 0 H VAL A 31 -5.610 8.523 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.415 9.151 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.125 11.194 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.866 12.370 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.559 11.918 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.583 10.974 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.020 11.000 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.648 9.537 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.353 9.538 -1.564 1.00 0.00 H new ATOM 493 N GLU A 32 -8.442 11.101 -2.267 1.00 0.00 N ATOM 494 CA GLU A 32 -9.451 11.552 -3.226 1.00 0.00 C ATOM 495 C GLU A 32 -9.246 10.855 -4.571 1.00 0.00 C ATOM 496 O GLU A 32 -10.105 10.105 -5.035 1.00 0.00 O ATOM 497 CB GLU A 32 -9.403 13.074 -3.416 1.00 0.00 C ATOM 498 CG GLU A 32 -10.083 13.869 -2.308 1.00 0.00 C ATOM 499 CD GLU A 32 -9.308 13.866 -1.007 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.399 12.877 -0.258 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.626 14.870 -0.719 1.00 0.00 O ATOM 0 H GLU A 32 -7.905 11.851 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.431 11.291 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.361 13.387 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.873 13.324 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.219 14.898 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.077 13.457 -2.132 1.00 0.00 H new ATOM 508 N ASP A 33 -8.098 11.096 -5.188 1.00 0.00 N ATOM 509 CA ASP A 33 -7.742 10.415 -6.430 1.00 0.00 C ATOM 510 C ASP A 33 -6.273 9.998 -6.401 1.00 0.00 C ATOM 511 O ASP A 33 -5.743 9.443 -7.360 1.00 0.00 O ATOM 512 CB ASP A 33 -8.020 11.324 -7.632 1.00 0.00 C ATOM 513 CG ASP A 33 -7.802 10.626 -8.966 1.00 0.00 C ATOM 514 OD1 ASP A 33 -8.591 9.719 -9.308 1.00 0.00 O ATOM 515 OD2 ASP A 33 -6.850 10.994 -9.684 1.00 0.00 O ATOM 0 H ASP A 33 -7.397 11.756 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.354 9.518 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.048 11.683 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.373 12.200 -7.576 1.00 0.00 H new ATOM 520 N VAL A 34 -5.624 10.246 -5.273 1.00 0.00 N ATOM 521 CA VAL A 34 -4.204 9.952 -5.129 1.00 0.00 C ATOM 522 C VAL A 34 -3.994 8.510 -4.682 1.00 0.00 C ATOM 523 O VAL A 34 -4.185 8.181 -3.511 1.00 0.00 O ATOM 524 CB VAL A 34 -3.529 10.897 -4.113 1.00 0.00 C ATOM 525 CG1 VAL A 34 -2.024 10.663 -4.072 1.00 0.00 C ATOM 526 CG2 VAL A 34 -3.836 12.349 -4.441 1.00 0.00 C ATOM 0 H VAL A 34 -6.058 10.650 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.746 10.103 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.935 10.676 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.570 11.341 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.824 9.632 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.600 10.848 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.350 12.997 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.465 12.583 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.914 12.509 -4.408 1.00 0.00 H new ATOM 536 N LEU A 35 -3.632 7.652 -5.624 1.00 0.00 N ATOM 537 CA LEU A 35 -3.318 6.264 -5.318 1.00 0.00 C ATOM 538 C LEU A 35 -1.865 6.147 -4.880 1.00 0.00 C ATOM 539 O LEU A 35 -0.952 6.557 -5.604 1.00 0.00 O ATOM 540 CB LEU A 35 -3.577 5.370 -6.538 1.00 0.00 C ATOM 541 CG LEU A 35 -3.296 3.879 -6.329 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.216 3.306 -5.266 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.457 3.119 -7.637 1.00 0.00 C ATOM 0 H LEU A 35 -3.548 7.894 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.964 5.931 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.618 5.488 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.963 5.726 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.266 3.768 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.001 2.246 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.055 3.831 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.253 3.429 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.254 2.061 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.476 3.239 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.757 3.511 -8.374 1.00 0.00 H new ATOM 555 N PHE A 36 -1.655 5.608 -3.693 1.00 0.00 N ATOM 556 CA PHE A 36 -0.312 5.473 -3.147 1.00 0.00 C ATOM 557 C PHE A 36 0.113 4.010 -3.048 1.00 0.00 C ATOM 558 O PHE A 36 1.287 3.684 -3.230 1.00 0.00 O ATOM 559 CB PHE A 36 -0.217 6.160 -1.779 1.00 0.00 C ATOM 560 CG PHE A 36 -1.383 5.895 -0.861 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.436 4.744 -0.091 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.420 6.809 -0.763 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.501 4.508 0.755 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.489 6.577 0.082 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.528 5.427 0.843 1.00 0.00 C ATOM 0 H PHE A 36 -2.396 5.256 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 36 0.375 5.966 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.698 5.833 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.130 7.236 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.634 4.023 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.393 7.713 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.531 3.606 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.293 7.295 0.146 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.361 5.246 1.507 1.00 0.00 H new ATOM 575 N ALA A 37 -0.846 3.132 -2.769 1.00 0.00 N ATOM 576 CA ALA A 37 -0.570 1.710 -2.629 1.00 0.00 C ATOM 577 C ALA A 37 -1.847 0.905 -2.811 1.00 0.00 C ATOM 578 O ALA A 37 -2.944 1.424 -2.613 1.00 0.00 O ATOM 579 CB ALA A 37 0.046 1.417 -1.268 1.00 0.00 C ATOM 0 H ALA A 37 -1.825 3.384 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 37 0.142 1.419 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.246 0.349 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.979 1.970 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.645 1.722 -0.482 1.00 0.00 H new ATOM 585 N MET A 38 -1.711 -0.355 -3.189 1.00 0.00 N ATOM 586 CA MET A 38 -2.874 -1.204 -3.392 1.00 0.00 C ATOM 587 C MET A 38 -2.573 -2.649 -3.022 1.00 0.00 C ATOM 588 O MET A 38 -1.469 -3.150 -3.262 1.00 0.00 O ATOM 589 CB MET A 38 -3.363 -1.114 -4.843 1.00 0.00 C ATOM 590 CG MET A 38 -2.375 -1.641 -5.873 1.00 0.00 C ATOM 591 SD MET A 38 -2.934 -1.360 -7.563 1.00 0.00 S ATOM 592 CE MET A 38 -1.474 -1.830 -8.486 1.00 0.00 C ATOM 0 H MET A 38 -0.815 -0.810 -3.361 1.00 0.00 H new ATOM 0 HA MET A 38 -3.666 -0.846 -2.735 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.296 -1.670 -4.934 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.589 -0.073 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.409 -1.158 -5.727 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.224 -2.709 -5.715 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.664 -1.710 -9.553 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.638 -1.195 -8.193 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.230 -2.871 -8.276 1.00 0.00 H new ATOM 602 N VAL A 39 -3.555 -3.300 -2.420 1.00 0.00 N ATOM 603 CA VAL A 39 -3.455 -4.711 -2.086 1.00 0.00 C ATOM 604 C VAL A 39 -4.180 -5.544 -3.135 1.00 0.00 C ATOM 605 O VAL A 39 -5.408 -5.515 -3.242 1.00 0.00 O ATOM 606 CB VAL A 39 -4.019 -5.025 -0.677 1.00 0.00 C ATOM 607 CG1 VAL A 39 -3.045 -4.588 0.406 1.00 0.00 C ATOM 608 CG2 VAL A 39 -5.371 -4.359 -0.464 1.00 0.00 C ATOM 0 H VAL A 39 -4.439 -2.868 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.396 -4.969 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.154 -6.105 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.463 -4.819 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.100 -5.117 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.873 -3.514 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.741 -4.598 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.264 -3.279 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.077 -4.723 -1.210 1.00 0.00 H new ATOM 618 N LYS A 40 -3.411 -6.267 -3.922 1.00 0.00 N ATOM 619 CA LYS A 40 -3.956 -7.030 -5.027 1.00 0.00 C ATOM 620 C LYS A 40 -4.016 -8.508 -4.663 1.00 0.00 C ATOM 621 O LYS A 40 -3.008 -9.106 -4.274 1.00 0.00 O ATOM 622 CB LYS A 40 -3.108 -6.791 -6.287 1.00 0.00 C ATOM 623 CG LYS A 40 -1.646 -7.189 -6.142 1.00 0.00 C ATOM 624 CD LYS A 40 -0.752 -6.414 -7.095 1.00 0.00 C ATOM 625 CE LYS A 40 0.667 -6.965 -7.091 1.00 0.00 C ATOM 626 NZ LYS A 40 1.590 -6.143 -7.918 1.00 0.00 N ATOM 0 H LYS A 40 -2.399 -6.343 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.974 -6.700 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.544 -7.349 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.161 -5.735 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.322 -7.014 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.540 -8.257 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.162 -6.465 -8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.737 -5.362 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.037 -7.004 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.659 -7.988 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.563 -6.494 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.312 -6.208 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.542 -5.151 -7.610 1.00 0.00 H new ATOM 640 N GLU A 41 -5.204 -9.087 -4.754 1.00 0.00 N ATOM 641 CA GLU A 41 -5.380 -10.491 -4.434 1.00 0.00 C ATOM 642 C GLU A 41 -4.921 -11.344 -5.605 1.00 0.00 C ATOM 643 O GLU A 41 -5.553 -11.366 -6.661 1.00 0.00 O ATOM 644 CB GLU A 41 -6.848 -10.794 -4.103 1.00 0.00 C ATOM 645 CG GLU A 41 -7.336 -10.158 -2.809 1.00 0.00 C ATOM 646 CD GLU A 41 -8.803 -10.443 -2.528 1.00 0.00 C ATOM 647 OE1 GLU A 41 -9.134 -11.582 -2.131 1.00 0.00 O ATOM 648 OE2 GLU A 41 -9.636 -9.530 -2.707 1.00 0.00 O ATOM 0 H GLU A 41 -6.055 -8.607 -5.046 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.777 -10.727 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.474 -10.447 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.979 -11.874 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.734 -10.527 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.183 -9.080 -2.859 1.00 0.00 H new ATOM 655 N VAL A 42 -3.820 -12.047 -5.414 1.00 0.00 N ATOM 656 CA VAL A 42 -3.309 -12.946 -6.429 1.00 0.00 C ATOM 657 C VAL A 42 -3.187 -14.350 -5.856 1.00 0.00 C ATOM 658 O VAL A 42 -2.412 -14.592 -4.927 1.00 0.00 O ATOM 659 CB VAL A 42 -1.953 -12.459 -7.004 1.00 0.00 C ATOM 660 CG1 VAL A 42 -0.926 -12.225 -5.903 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.421 -13.445 -8.037 1.00 0.00 C ATOM 0 H VAL A 42 -3.261 -12.012 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.016 -12.959 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.130 -11.503 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.010 -11.885 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.298 -11.467 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.755 -13.155 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.469 -13.085 -8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.276 -14.419 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.137 -13.538 -8.854 1.00 0.00 H new ATOM 671 N GLU A 43 -4.002 -15.262 -6.382 1.00 0.00 N ATOM 672 CA GLU A 43 -4.059 -16.630 -5.884 1.00 0.00 C ATOM 673 C GLU A 43 -4.538 -16.617 -4.428 1.00 0.00 C ATOM 674 O GLU A 43 -4.219 -17.508 -3.639 1.00 0.00 O ATOM 675 CB GLU A 43 -2.684 -17.291 -6.025 1.00 0.00 C ATOM 676 CG GLU A 43 -2.700 -18.802 -5.920 1.00 0.00 C ATOM 677 CD GLU A 43 -1.329 -19.395 -6.142 1.00 0.00 C ATOM 678 OE1 GLU A 43 -0.980 -19.687 -7.305 1.00 0.00 O ATOM 679 OE2 GLU A 43 -0.583 -19.559 -5.157 1.00 0.00 O ATOM 0 H GLU A 43 -4.636 -15.074 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.767 -17.216 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.257 -17.011 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.023 -16.893 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.067 -19.094 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.395 -19.210 -6.654 1.00 0.00 H new ATOM 686 N ASN A 44 -5.313 -15.574 -4.102 1.00 0.00 N ATOM 687 CA ASN A 44 -5.874 -15.353 -2.761 1.00 0.00 C ATOM 688 C ASN A 44 -4.785 -14.990 -1.747 1.00 0.00 C ATOM 689 O ASN A 44 -5.071 -14.735 -0.579 1.00 0.00 O ATOM 690 CB ASN A 44 -6.673 -16.578 -2.285 1.00 0.00 C ATOM 691 CG ASN A 44 -7.559 -16.279 -1.083 1.00 0.00 C ATOM 692 OD1 ASN A 44 -8.686 -15.802 -1.234 1.00 0.00 O ATOM 693 ND2 ASN A 44 -7.079 -16.584 0.113 1.00 0.00 N ATOM 0 H ASN A 44 -5.572 -14.849 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.557 -14.507 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.293 -16.942 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.980 -17.380 -2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.646 -16.426 0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.142 -16.977 0.201 1.00 0.00 H new ATOM 700 N ARG A 45 -3.539 -14.941 -2.193 1.00 0.00 N ATOM 701 CA ARG A 45 -2.444 -14.577 -1.311 1.00 0.00 C ATOM 702 C ARG A 45 -2.141 -13.086 -1.433 1.00 0.00 C ATOM 703 O ARG A 45 -2.070 -12.543 -2.536 1.00 0.00 O ATOM 704 CB ARG A 45 -1.203 -15.431 -1.593 1.00 0.00 C ATOM 705 CG ARG A 45 -1.344 -16.860 -1.083 1.00 0.00 C ATOM 706 CD ARG A 45 -0.035 -17.632 -1.161 1.00 0.00 C ATOM 707 NE ARG A 45 0.290 -18.062 -2.522 1.00 0.00 N ATOM 708 CZ ARG A 45 1.535 -18.226 -2.969 1.00 0.00 C ATOM 709 NH1 ARG A 45 2.569 -17.932 -2.189 1.00 0.00 N ATOM 710 NH2 ARG A 45 1.742 -18.697 -4.188 1.00 0.00 N ATOM 0 H ARG A 45 -3.263 -15.147 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.744 -14.777 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.016 -15.450 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.334 -14.967 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.692 -16.842 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.105 -17.379 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.773 -17.008 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.095 -18.507 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.480 -18.247 -3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.412 -17.580 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.520 -18.059 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.949 -18.934 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.694 -18.823 -4.531 1.00 0.00 H new ATOM 724 N PRO A 46 -1.984 -12.410 -0.286 1.00 0.00 N ATOM 725 CA PRO A 46 -1.830 -10.955 -0.228 1.00 0.00 C ATOM 726 C PRO A 46 -0.535 -10.450 -0.858 1.00 0.00 C ATOM 727 O PRO A 46 0.569 -10.773 -0.413 1.00 0.00 O ATOM 728 CB PRO A 46 -1.847 -10.649 1.272 1.00 0.00 C ATOM 729 CG PRO A 46 -1.430 -11.917 1.928 1.00 0.00 C ATOM 730 CD PRO A 46 -1.952 -13.022 1.055 1.00 0.00 C ATOM 0 HA PRO A 46 -2.617 -10.458 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.165 -9.835 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.840 -10.342 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.345 -11.971 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.839 -11.989 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.302 -13.897 1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.942 -13.350 1.371 1.00 0.00 H new ATOM 738 N ALA A 47 -0.688 -9.662 -1.909 1.00 0.00 N ATOM 739 CA ALA A 47 0.429 -8.974 -2.522 1.00 0.00 C ATOM 740 C ALA A 47 0.132 -7.482 -2.592 1.00 0.00 C ATOM 741 O ALA A 47 -0.920 -7.072 -3.077 1.00 0.00 O ATOM 742 CB ALA A 47 0.716 -9.535 -3.906 1.00 0.00 C ATOM 0 H ALA A 47 -1.587 -9.484 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 47 1.319 -9.129 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.559 -9.003 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.958 -10.595 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.163 -9.410 -4.539 1.00 0.00 H new ATOM 748 N VAL A 48 1.053 -6.673 -2.110 1.00 0.00 N ATOM 749 CA VAL A 48 0.841 -5.233 -2.060 1.00 0.00 C ATOM 750 C VAL A 48 1.835 -4.515 -2.967 1.00 0.00 C ATOM 751 O VAL A 48 2.955 -4.985 -3.177 1.00 0.00 O ATOM 752 CB VAL A 48 0.958 -4.702 -0.607 1.00 0.00 C ATOM 753 CG1 VAL A 48 2.356 -4.929 -0.054 1.00 0.00 C ATOM 754 CG2 VAL A 48 0.574 -3.230 -0.519 1.00 0.00 C ATOM 0 H VAL A 48 1.955 -6.983 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.169 -5.030 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 48 0.254 -5.266 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.410 -4.548 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.579 -5.996 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.083 -4.406 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.667 -2.891 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.236 -2.643 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.456 -3.102 -0.851 1.00 0.00 H new ATOM 764 N SER A 49 1.406 -3.403 -3.542 1.00 0.00 N ATOM 765 CA SER A 49 2.266 -2.609 -4.396 1.00 0.00 C ATOM 766 C SER A 49 2.267 -1.154 -3.959 1.00 0.00 C ATOM 767 O SER A 49 1.215 -0.529 -3.843 1.00 0.00 O ATOM 768 CB SER A 49 1.829 -2.737 -5.856 1.00 0.00 C ATOM 769 OG SER A 49 1.955 -4.079 -6.292 1.00 0.00 O ATOM 0 H SER A 49 0.463 -3.031 -3.430 1.00 0.00 H new ATOM 0 HA SER A 49 3.284 -2.987 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.795 -2.408 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.437 -2.085 -6.483 1.00 0.00 H new ATOM 0 HG SER A 49 2.392 -4.610 -5.594 1.00 0.00 H new ATOM 775 N LEU A 50 3.459 -0.636 -3.705 1.00 0.00 N ATOM 776 CA LEU A 50 3.626 0.739 -3.262 1.00 0.00 C ATOM 777 C LEU A 50 4.184 1.579 -4.403 1.00 0.00 C ATOM 778 O LEU A 50 4.945 1.072 -5.228 1.00 0.00 O ATOM 779 CB LEU A 50 4.577 0.818 -2.052 1.00 0.00 C ATOM 780 CG LEU A 50 4.122 0.085 -0.777 1.00 0.00 C ATOM 781 CD1 LEU A 50 4.244 -1.424 -0.925 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.936 0.556 0.416 1.00 0.00 C ATOM 0 H LEU A 50 4.333 -1.154 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 50 2.652 1.123 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.545 0.416 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.731 1.869 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 50 3.071 0.322 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.914 -1.908 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.622 -1.760 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.283 -1.688 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.605 0.031 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.991 0.347 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.796 1.628 0.552 1.00 0.00 H new ATOM 794 N LYS A 51 3.787 2.848 -4.462 1.00 0.00 N ATOM 795 CA LYS A 51 4.317 3.771 -5.460 1.00 0.00 C ATOM 796 C LYS A 51 5.833 3.894 -5.321 1.00 0.00 C ATOM 797 O LYS A 51 6.569 3.779 -6.300 1.00 0.00 O ATOM 798 CB LYS A 51 3.657 5.149 -5.315 1.00 0.00 C ATOM 799 CG LYS A 51 4.314 6.240 -6.149 1.00 0.00 C ATOM 800 CD LYS A 51 3.619 7.581 -5.959 1.00 0.00 C ATOM 801 CE LYS A 51 2.293 7.640 -6.700 1.00 0.00 C ATOM 802 NZ LYS A 51 2.481 7.840 -8.162 1.00 0.00 N ATOM 0 H LYS A 51 3.100 3.260 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 51 4.090 3.377 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.608 5.070 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.681 5.444 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.364 6.330 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.287 5.961 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.450 7.755 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.269 8.381 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.740 6.716 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.688 8.453 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.553 7.942 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.045 8.699 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.977 7.019 -8.564 1.00 0.00 H new ATOM 816 N THR A 52 6.287 4.125 -4.094 1.00 0.00 N ATOM 817 CA THR A 52 7.708 4.211 -3.806 1.00 0.00 C ATOM 818 C THR A 52 7.937 4.332 -2.299 1.00 0.00 C ATOM 819 O THR A 52 7.142 4.954 -1.587 1.00 0.00 O ATOM 820 CB THR A 52 8.374 5.401 -4.540 1.00 0.00 C ATOM 821 OG1 THR A 52 9.790 5.388 -4.320 1.00 0.00 O ATOM 822 CG2 THR A 52 7.799 6.735 -4.080 1.00 0.00 C ATOM 0 H THR A 52 5.685 4.256 -3.281 1.00 0.00 H new ATOM 0 HA THR A 52 8.171 3.294 -4.170 1.00 0.00 H new ATOM 0 HB THR A 52 8.167 5.289 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.201 6.143 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.290 7.547 -4.616 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.729 6.760 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.967 6.854 -3.010 1.00 0.00 H new ATOM 830 N SER A 53 8.998 3.695 -1.820 1.00 0.00 N ATOM 831 CA SER A 53 9.380 3.759 -0.416 1.00 0.00 C ATOM 832 C SER A 53 10.864 3.436 -0.264 1.00 0.00 C ATOM 833 O SER A 53 11.359 2.481 -0.861 1.00 0.00 O ATOM 834 CB SER A 53 8.552 2.786 0.424 1.00 0.00 C ATOM 835 OG SER A 53 7.167 3.077 0.349 1.00 0.00 O ATOM 0 H SER A 53 9.616 3.121 -2.393 1.00 0.00 H new ATOM 0 HA SER A 53 9.189 4.771 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.729 1.767 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.878 2.833 1.463 1.00 0.00 H new ATOM 0 HG SER A 53 7.037 3.929 -0.117 1.00 0.00 H new ATOM 841 N PRO A 54 11.580 4.222 0.550 1.00 0.00 N ATOM 842 CA PRO A 54 13.034 4.095 0.706 1.00 0.00 C ATOM 843 C PRO A 54 13.468 2.718 1.207 1.00 0.00 C ATOM 844 O PRO A 54 14.241 2.025 0.545 1.00 0.00 O ATOM 845 CB PRO A 54 13.394 5.181 1.727 1.00 0.00 C ATOM 846 CG PRO A 54 12.110 5.554 2.386 1.00 0.00 C ATOM 847 CD PRO A 54 11.027 5.304 1.378 1.00 0.00 C ATOM 0 HA PRO A 54 13.543 4.210 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.115 4.810 2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.849 6.043 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.948 4.960 3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.121 6.600 2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.093 5.008 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.814 6.195 0.787 1.00 0.00 H new ATOM 855 N GLU A 55 12.956 2.313 2.362 1.00 0.00 N ATOM 856 CA GLU A 55 13.363 1.052 2.967 1.00 0.00 C ATOM 857 C GLU A 55 12.867 -0.131 2.148 1.00 0.00 C ATOM 858 O GLU A 55 13.550 -1.145 2.040 1.00 0.00 O ATOM 859 CB GLU A 55 12.857 0.954 4.407 1.00 0.00 C ATOM 860 CG GLU A 55 13.441 -0.224 5.170 1.00 0.00 C ATOM 861 CD GLU A 55 13.230 -0.108 6.663 1.00 0.00 C ATOM 862 OE1 GLU A 55 13.899 0.737 7.292 1.00 0.00 O ATOM 863 OE2 GLU A 55 12.400 -0.858 7.218 1.00 0.00 O ATOM 0 H GLU A 55 12.262 2.836 2.896 1.00 0.00 H new ATOM 0 HA GLU A 55 14.453 1.024 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.101 1.876 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.770 0.870 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.984 -1.147 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.509 -0.295 4.961 1.00 0.00 H new ATOM 870 N LEU A 56 11.688 0.009 1.550 1.00 0.00 N ATOM 871 CA LEU A 56 11.128 -1.054 0.722 1.00 0.00 C ATOM 872 C LEU A 56 12.009 -1.308 -0.497 1.00 0.00 C ATOM 873 O LEU A 56 12.226 -2.454 -0.887 1.00 0.00 O ATOM 874 CB LEU A 56 9.698 -0.720 0.282 1.00 0.00 C ATOM 875 CG LEU A 56 8.598 -1.024 1.310 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.645 -2.487 1.729 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.713 -0.115 2.525 1.00 0.00 C ATOM 0 H LEU A 56 11.105 0.843 1.622 1.00 0.00 H new ATOM 0 HA LEU A 56 11.095 -1.961 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.653 0.340 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.480 -1.274 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 56 7.635 -0.830 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.858 -2.682 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.496 -3.121 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.615 -2.707 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.921 -0.354 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.683 -0.263 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.618 0.925 2.212 1.00 0.00 H new ATOM 889 N ALA A 57 12.526 -0.236 -1.085 1.00 0.00 N ATOM 890 CA ALA A 57 13.446 -0.357 -2.206 1.00 0.00 C ATOM 891 C ALA A 57 14.769 -0.955 -1.740 1.00 0.00 C ATOM 892 O ALA A 57 15.388 -1.752 -2.443 1.00 0.00 O ATOM 893 CB ALA A 57 13.669 1.000 -2.855 1.00 0.00 C ATOM 0 H ALA A 57 12.324 0.724 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 57 13.009 -1.024 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.359 0.894 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.718 1.391 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.090 1.689 -2.123 1.00 0.00 H new ATOM 899 N GLU A 58 15.187 -0.570 -0.540 1.00 0.00 N ATOM 900 CA GLU A 58 16.416 -1.080 0.049 1.00 0.00 C ATOM 901 C GLU A 58 16.342 -2.582 0.275 1.00 0.00 C ATOM 902 O GLU A 58 17.302 -3.302 0.003 1.00 0.00 O ATOM 903 CB GLU A 58 16.714 -0.362 1.363 1.00 0.00 C ATOM 904 CG GLU A 58 17.349 1.002 1.164 1.00 0.00 C ATOM 905 CD GLU A 58 18.590 0.926 0.300 1.00 0.00 C ATOM 906 OE1 GLU A 58 19.626 0.427 0.783 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.533 1.356 -0.871 1.00 0.00 O ATOM 0 H GLU A 58 14.688 0.099 0.047 1.00 0.00 H new ATOM 0 HA GLU A 58 17.227 -0.886 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.788 -0.247 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.378 -0.981 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.626 1.675 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.607 1.427 2.134 1.00 0.00 H new ATOM 914 N LEU A 59 15.200 -3.046 0.762 1.00 0.00 N ATOM 915 CA LEU A 59 14.971 -4.475 0.963 1.00 0.00 C ATOM 916 C LEU A 59 15.257 -5.264 -0.311 1.00 0.00 C ATOM 917 O LEU A 59 15.758 -6.384 -0.252 1.00 0.00 O ATOM 918 CB LEU A 59 13.533 -4.735 1.418 1.00 0.00 C ATOM 919 CG LEU A 59 13.350 -4.982 2.920 1.00 0.00 C ATOM 920 CD1 LEU A 59 13.868 -3.808 3.734 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.886 -5.244 3.237 1.00 0.00 C ATOM 0 H LEU A 59 14.413 -2.453 1.027 1.00 0.00 H new ATOM 0 HA LEU A 59 15.657 -4.810 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.920 -3.881 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.150 -5.600 0.876 1.00 0.00 H new ATOM 0 HG LEU A 59 13.931 -5.863 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.726 -4.010 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.929 -3.665 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.321 -2.906 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.771 -5.418 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.290 -4.380 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.546 -6.122 2.688 1.00 0.00 H new ATOM 933 N LEU A 60 14.955 -4.663 -1.457 1.00 0.00 N ATOM 934 CA LEU A 60 15.185 -5.304 -2.746 1.00 0.00 C ATOM 935 C LEU A 60 16.681 -5.530 -2.967 1.00 0.00 C ATOM 936 O LEU A 60 17.097 -6.595 -3.420 1.00 0.00 O ATOM 937 CB LEU A 60 14.586 -4.443 -3.870 1.00 0.00 C ATOM 938 CG LEU A 60 14.218 -5.179 -5.169 1.00 0.00 C ATOM 939 CD1 LEU A 60 13.348 -4.295 -6.051 1.00 0.00 C ATOM 940 CD2 LEU A 60 15.461 -5.603 -5.939 1.00 0.00 C ATOM 0 H LEU A 60 14.549 -3.729 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 60 14.693 -6.277 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.689 -3.956 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.298 -3.654 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 60 13.662 -6.075 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.096 -4.830 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.433 -4.037 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.891 -3.384 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 15.165 -6.120 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.048 -4.721 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.061 -6.271 -5.322 1.00 0.00 H new ATOM 952 N ARG A 61 17.487 -4.532 -2.630 1.00 0.00 N ATOM 953 CA ARG A 61 18.932 -4.640 -2.798 1.00 0.00 C ATOM 954 C ARG A 61 19.543 -5.526 -1.717 1.00 0.00 C ATOM 955 O ARG A 61 20.483 -6.280 -1.975 1.00 0.00 O ATOM 956 CB ARG A 61 19.594 -3.259 -2.767 1.00 0.00 C ATOM 957 CG ARG A 61 19.203 -2.357 -3.928 1.00 0.00 C ATOM 958 CD ARG A 61 18.205 -1.295 -3.499 1.00 0.00 C ATOM 959 NE ARG A 61 17.775 -0.462 -4.621 1.00 0.00 N ATOM 960 CZ ARG A 61 17.468 0.830 -4.519 1.00 0.00 C ATOM 961 NH1 ARG A 61 17.557 1.455 -3.353 1.00 0.00 N ATOM 962 NH2 ARG A 61 17.079 1.499 -5.598 1.00 0.00 N ATOM 0 H ARG A 61 17.169 -3.644 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 61 19.114 -5.095 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 61 19.333 -2.764 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.677 -3.387 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 61 20.094 -1.877 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 61 18.773 -2.959 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.336 -1.775 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.654 -0.665 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 61 17.706 -0.898 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.863 0.946 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.320 2.445 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.017 1.023 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.842 2.489 -5.527 1.00 0.00 H new ATOM 976 N GLN A 62 19.002 -5.435 -0.511 1.00 0.00 N ATOM 977 CA GLN A 62 19.546 -6.163 0.628 1.00 0.00 C ATOM 978 C GLN A 62 19.158 -7.642 0.612 1.00 0.00 C ATOM 979 O GLN A 62 20.025 -8.510 0.511 1.00 0.00 O ATOM 980 CB GLN A 62 19.105 -5.514 1.948 1.00 0.00 C ATOM 981 CG GLN A 62 20.067 -4.450 2.465 1.00 0.00 C ATOM 982 CD GLN A 62 20.171 -3.233 1.565 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.971 -3.203 0.630 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.391 -2.206 1.862 1.00 0.00 N ATOM 0 H GLN A 62 18.185 -4.863 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 62 20.632 -6.110 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.122 -5.064 1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.997 -6.291 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.744 -4.131 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.057 -4.892 2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.740 -2.269 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.440 -1.351 1.308 1.00 0.00 H new ATOM 993 N GLN A 63 17.867 -7.933 0.711 1.00 0.00 N ATOM 994 CA GLN A 63 17.404 -9.309 0.879 1.00 0.00 C ATOM 995 C GLN A 63 16.509 -9.743 -0.280 1.00 0.00 C ATOM 996 O GLN A 63 15.345 -9.350 -0.353 1.00 0.00 O ATOM 997 CB GLN A 63 16.630 -9.444 2.190 1.00 0.00 C ATOM 998 CG GLN A 63 17.393 -8.961 3.414 1.00 0.00 C ATOM 999 CD GLN A 63 18.581 -9.833 3.777 1.00 0.00 C ATOM 1000 OE1 GLN A 63 19.746 -9.505 3.242 1.00 0.00 O flip ATOM 1001 NE2 GLN A 63 18.456 -10.787 4.544 1.00 0.00 N flip ATOM 0 H GLN A 63 17.121 -7.238 0.678 1.00 0.00 H new ATOM 0 HA GLN A 63 18.283 -9.954 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.700 -8.882 2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.359 -10.490 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 63 17.742 -7.944 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.711 -8.920 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.541 -11.009 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.267 -11.356 4.787 1.00 0.00 H new ATOM 1010 N HIS A 64 17.037 -10.580 -1.166 1.00 0.00 N ATOM 1011 CA HIS A 64 16.289 -11.028 -2.344 1.00 0.00 C ATOM 1012 C HIS A 64 15.300 -12.149 -2.009 1.00 0.00 C ATOM 1013 O HIS A 64 14.701 -12.744 -2.904 1.00 0.00 O ATOM 1014 CB HIS A 64 17.243 -11.492 -3.450 1.00 0.00 C ATOM 1015 CG HIS A 64 17.915 -10.370 -4.180 1.00 0.00 C ATOM 1016 ND1 HIS A 64 17.793 -10.179 -5.542 1.00 0.00 N ATOM 1017 CD2 HIS A 64 18.721 -9.376 -3.739 1.00 0.00 C ATOM 1018 CE1 HIS A 64 18.492 -9.122 -5.901 1.00 0.00 C ATOM 1019 NE2 HIS A 64 19.063 -8.616 -4.828 1.00 0.00 N ATOM 0 H HIS A 64 17.979 -10.964 -1.095 1.00 0.00 H new ATOM 0 HA HIS A 64 15.716 -10.171 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.006 -12.136 -3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 64 16.687 -12.097 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 64 19.036 -9.212 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 64 18.582 -8.736 -6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 64 19.663 -7.791 -4.810 1.00 0.00 H new ATOM 1028 N SER A 65 15.130 -12.438 -0.726 1.00 0.00 N ATOM 1029 CA SER A 65 14.156 -13.436 -0.297 1.00 0.00 C ATOM 1030 C SER A 65 12.990 -12.779 0.435 1.00 0.00 C ATOM 1031 O SER A 65 11.901 -13.345 0.532 1.00 0.00 O ATOM 1032 CB SER A 65 14.827 -14.483 0.592 1.00 0.00 C ATOM 1033 OG SER A 65 15.865 -15.148 -0.111 1.00 0.00 O ATOM 0 H SER A 65 15.650 -11.999 0.034 1.00 0.00 H new ATOM 0 HA SER A 65 13.761 -13.932 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.233 -14.004 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.087 -15.209 0.930 1.00 0.00 H new ATOM 0 HG SER A 65 16.283 -15.813 0.475 1.00 0.00 H new ATOM 1039 N ASP A 66 13.219 -11.574 0.937 1.00 0.00 N ATOM 1040 CA ASP A 66 12.173 -10.832 1.627 1.00 0.00 C ATOM 1041 C ASP A 66 11.353 -10.036 0.627 1.00 0.00 C ATOM 1042 O ASP A 66 10.188 -9.721 0.869 1.00 0.00 O ATOM 1043 CB ASP A 66 12.770 -9.902 2.687 1.00 0.00 C ATOM 1044 CG ASP A 66 13.369 -10.665 3.855 1.00 0.00 C ATOM 1045 OD1 ASP A 66 14.463 -11.243 3.699 1.00 0.00 O ATOM 1046 OD2 ASP A 66 12.749 -10.686 4.942 1.00 0.00 O ATOM 0 H ASP A 66 14.115 -11.091 0.880 1.00 0.00 H new ATOM 0 HA ASP A 66 11.521 -11.545 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.540 -9.281 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.995 -9.230 3.055 1.00 0.00 H new ATOM 1051 N VAL A 67 11.966 -9.723 -0.505 1.00 0.00 N ATOM 1052 CA VAL A 67 11.284 -9.011 -1.573 1.00 0.00 C ATOM 1053 C VAL A 67 11.106 -9.922 -2.787 1.00 0.00 C ATOM 1054 O VAL A 67 12.018 -10.666 -3.162 1.00 0.00 O ATOM 1055 CB VAL A 67 12.056 -7.733 -1.980 1.00 0.00 C ATOM 1056 CG1 VAL A 67 13.417 -8.079 -2.561 1.00 0.00 C ATOM 1057 CG2 VAL A 67 11.251 -6.897 -2.964 1.00 0.00 C ATOM 0 H VAL A 67 12.939 -9.953 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 67 10.304 -8.712 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 67 12.212 -7.140 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.938 -7.163 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.003 -8.619 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.287 -8.704 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.818 -6.005 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.050 -7.483 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.307 -6.603 -2.505 1.00 0.00 H new ATOM 1067 N ARG A 68 9.923 -9.887 -3.386 1.00 0.00 N ATOM 1068 CA ARG A 68 9.641 -10.699 -4.561 1.00 0.00 C ATOM 1069 C ARG A 68 8.943 -9.864 -5.629 1.00 0.00 C ATOM 1070 O ARG A 68 7.717 -9.798 -5.677 1.00 0.00 O ATOM 1071 CB ARG A 68 8.787 -11.917 -4.188 1.00 0.00 C ATOM 1072 CG ARG A 68 9.504 -12.906 -3.284 1.00 0.00 C ATOM 1073 CD ARG A 68 8.583 -14.019 -2.817 1.00 0.00 C ATOM 1074 NE ARG A 68 9.280 -14.964 -1.951 1.00 0.00 N ATOM 1075 CZ ARG A 68 8.766 -15.483 -0.839 1.00 0.00 C ATOM 1076 NH1 ARG A 68 7.532 -15.168 -0.455 1.00 0.00 N ATOM 1077 NH2 ARG A 68 9.490 -16.324 -0.115 1.00 0.00 N ATOM 0 H ARG A 68 9.144 -9.305 -3.077 1.00 0.00 H new ATOM 0 HA ARG A 68 10.588 -11.058 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.879 -11.576 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.479 -12.428 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.352 -13.336 -3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.906 -12.380 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.736 -13.591 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.180 -14.546 -3.682 1.00 0.00 H new ATOM 0 HE ARG A 68 10.224 -15.245 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.972 -14.524 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.145 -15.570 0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.435 -16.569 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.103 -16.726 0.739 1.00 0.00 H new ATOM 1091 N PRO A 69 9.728 -9.187 -6.476 1.00 0.00 N ATOM 1092 CA PRO A 69 9.204 -8.346 -7.545 1.00 0.00 C ATOM 1093 C PRO A 69 8.788 -9.167 -8.758 1.00 0.00 C ATOM 1094 O PRO A 69 9.566 -9.977 -9.266 1.00 0.00 O ATOM 1095 CB PRO A 69 10.382 -7.422 -7.901 1.00 0.00 C ATOM 1096 CG PRO A 69 11.505 -7.805 -6.985 1.00 0.00 C ATOM 1097 CD PRO A 69 11.190 -9.180 -6.471 1.00 0.00 C ATOM 0 HA PRO A 69 8.310 -7.805 -7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.672 -7.545 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.110 -6.375 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 69 12.457 -7.799 -7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.594 -7.095 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 69 11.603 -9.958 -7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.594 -9.343 -5.472 1.00 0.00 H new ATOM 1105 N SER A 70 7.562 -8.970 -9.212 1.00 0.00 N ATOM 1106 CA SER A 70 7.067 -9.672 -10.380 1.00 0.00 C ATOM 1107 C SER A 70 6.517 -8.685 -11.404 1.00 0.00 C ATOM 1108 O SER A 70 5.881 -7.689 -11.046 1.00 0.00 O ATOM 1109 CB SER A 70 5.994 -10.689 -9.978 1.00 0.00 C ATOM 1110 OG SER A 70 4.946 -10.077 -9.240 1.00 0.00 O ATOM 0 H SER A 70 6.892 -8.329 -8.788 1.00 0.00 H new ATOM 0 HA SER A 70 7.897 -10.211 -10.837 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.584 -11.159 -10.872 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.447 -11.480 -9.381 1.00 0.00 H new ATOM 0 HG SER A 70 4.511 -10.747 -8.672 1.00 0.00 H new ATOM 1116 N ARG A 71 6.755 -8.968 -12.678 1.00 0.00 N ATOM 1117 CA ARG A 71 6.296 -8.099 -13.753 1.00 0.00 C ATOM 1118 C ARG A 71 4.820 -8.340 -14.070 1.00 0.00 C ATOM 1119 O ARG A 71 4.382 -8.166 -15.207 1.00 0.00 O ATOM 1120 CB ARG A 71 7.143 -8.301 -15.011 1.00 0.00 C ATOM 1121 CG ARG A 71 7.298 -9.752 -15.437 1.00 0.00 C ATOM 1122 CD ARG A 71 7.517 -9.859 -16.937 1.00 0.00 C ATOM 1123 NE ARG A 71 6.284 -9.594 -17.673 1.00 0.00 N ATOM 1124 CZ ARG A 71 6.208 -8.922 -18.821 1.00 0.00 C ATOM 1125 NH1 ARG A 71 7.296 -8.406 -19.384 1.00 0.00 N ATOM 1126 NH2 ARG A 71 5.030 -8.764 -19.405 1.00 0.00 N ATOM 0 H ARG A 71 7.264 -9.794 -12.992 1.00 0.00 H new ATOM 0 HA ARG A 71 6.408 -7.069 -13.414 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.694 -7.740 -15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.133 -7.877 -14.840 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.140 -10.201 -14.910 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.408 -10.315 -15.155 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.287 -9.152 -17.246 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.883 -10.856 -17.183 1.00 0.00 H new ATOM 0 HE ARG A 71 5.414 -9.951 -17.278 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.205 -8.522 -18.937 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.221 -7.894 -20.263 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.191 -9.155 -18.976 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.961 -8.251 -20.284 1.00 0.00 H new ATOM 1140 N HIS A 72 4.053 -8.712 -13.047 1.00 0.00 N ATOM 1141 CA HIS A 72 2.618 -8.932 -13.201 1.00 0.00 C ATOM 1142 C HIS A 72 1.926 -7.605 -13.505 1.00 0.00 C ATOM 1143 O HIS A 72 0.799 -7.571 -13.993 1.00 0.00 O ATOM 1144 CB HIS A 72 2.031 -9.549 -11.928 1.00 0.00 C ATOM 1145 CG HIS A 72 1.033 -10.642 -12.182 1.00 0.00 C ATOM 1146 ND1 HIS A 72 -0.281 -10.410 -12.537 1.00 0.00 N ATOM 1147 CD2 HIS A 72 1.167 -11.991 -12.115 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -0.909 -11.567 -12.674 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -0.051 -12.538 -12.422 1.00 0.00 N ATOM 0 H HIS A 72 4.403 -8.867 -12.102 1.00 0.00 H new ATOM 0 HA HIS A 72 2.454 -9.623 -14.028 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.844 -9.948 -11.322 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.553 -8.763 -11.343 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.067 -12.533 -11.866 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.946 -11.695 -12.946 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.261 -13.536 -12.451 1.00 0.00 H new ATOM 1158 N LEU A 73 2.623 -6.521 -13.180 1.00 0.00 N ATOM 1159 CA LEU A 73 2.191 -5.168 -13.506 1.00 0.00 C ATOM 1160 C LEU A 73 3.412 -4.353 -13.919 1.00 0.00 C ATOM 1161 O LEU A 73 3.531 -3.917 -15.064 1.00 0.00 O ATOM 1162 CB LEU A 73 1.499 -4.510 -12.307 1.00 0.00 C ATOM 1163 CG LEU A 73 0.149 -5.116 -11.910 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -0.311 -4.558 -10.572 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.890 -4.837 -12.985 1.00 0.00 C ATOM 0 H LEU A 73 3.511 -6.558 -12.679 1.00 0.00 H new ATOM 0 HA LEU A 73 1.472 -5.207 -14.324 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.168 -4.565 -11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.352 -3.453 -12.530 1.00 0.00 H new ATOM 0 HG LEU A 73 0.268 -6.195 -11.812 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.271 -4.999 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.425 -4.799 -9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.417 -3.476 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.845 -5.273 -12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.006 -3.760 -13.109 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.565 -5.278 -13.928 1.00 0.00 H new ATOM 1177 N ASN A 74 4.322 -4.177 -12.970 1.00 0.00 N ATOM 1178 CA ASN A 74 5.607 -3.544 -13.219 1.00 0.00 C ATOM 1179 C ASN A 74 6.589 -4.015 -12.152 1.00 0.00 C ATOM 1180 O ASN A 74 6.320 -3.893 -10.956 1.00 0.00 O ATOM 1181 CB ASN A 74 5.476 -2.014 -13.215 1.00 0.00 C ATOM 1182 CG ASN A 74 6.745 -1.308 -13.675 1.00 0.00 C ATOM 1183 OD1 ASN A 74 7.862 -1.743 -13.394 1.00 0.00 O ATOM 1184 ND2 ASN A 74 6.579 -0.210 -14.396 1.00 0.00 N ATOM 0 H ASN A 74 4.187 -4.471 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 74 5.974 -3.829 -14.205 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.650 -1.724 -13.864 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.224 -1.679 -12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.391 0.304 -14.737 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.639 0.122 -14.610 1.00 0.00 H new ATOM 1191 N LYS A 75 7.701 -4.578 -12.593 1.00 0.00 N ATOM 1192 CA LYS A 75 8.656 -5.219 -11.697 1.00 0.00 C ATOM 1193 C LYS A 75 9.647 -4.221 -11.101 1.00 0.00 C ATOM 1194 O LYS A 75 10.148 -4.418 -9.995 1.00 0.00 O ATOM 1195 CB LYS A 75 9.424 -6.306 -12.462 1.00 0.00 C ATOM 1196 CG LYS A 75 10.337 -7.151 -11.586 1.00 0.00 C ATOM 1197 CD LYS A 75 11.228 -8.066 -12.414 1.00 0.00 C ATOM 1198 CE LYS A 75 12.247 -7.272 -13.219 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.157 -8.152 -14.001 1.00 0.00 N ATOM 0 H LYS A 75 7.969 -4.605 -13.577 1.00 0.00 H new ATOM 0 HA LYS A 75 8.093 -5.658 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.708 -6.960 -12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.021 -5.834 -13.242 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.957 -6.498 -10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.734 -7.751 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.746 -8.764 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.613 -8.661 -13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.725 -6.598 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.836 -6.651 -12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.833 -7.567 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.676 -8.778 -13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.599 -8.726 -14.665 1.00 0.00 H new ATOM 1213 N ALA A 76 9.927 -3.149 -11.828 1.00 0.00 N ATOM 1214 CA ALA A 76 11.025 -2.267 -11.455 1.00 0.00 C ATOM 1215 C ALA A 76 10.561 -0.881 -11.009 1.00 0.00 C ATOM 1216 O ALA A 76 11.173 -0.280 -10.127 1.00 0.00 O ATOM 1217 CB ALA A 76 12.014 -2.149 -12.602 1.00 0.00 C ATOM 0 H ALA A 76 9.418 -2.871 -12.667 1.00 0.00 H new ATOM 0 HA ALA A 76 11.512 -2.722 -10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.830 -1.487 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.413 -3.135 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.509 -1.740 -13.477 1.00 0.00 H new ATOM 1223 N HIS A 77 9.513 -0.349 -11.625 1.00 0.00 N ATOM 1224 CA HIS A 77 9.042 0.988 -11.262 1.00 0.00 C ATOM 1225 C HIS A 77 8.042 0.900 -10.119 1.00 0.00 C ATOM 1226 O HIS A 77 7.890 1.836 -9.338 1.00 0.00 O ATOM 1227 CB HIS A 77 8.419 1.704 -12.462 1.00 0.00 C ATOM 1228 CG HIS A 77 8.356 3.195 -12.304 1.00 0.00 C ATOM 1229 ND1 HIS A 77 9.332 4.041 -12.784 1.00 0.00 N ATOM 1230 CD2 HIS A 77 7.431 3.993 -11.715 1.00 0.00 C ATOM 1231 CE1 HIS A 77 9.016 5.287 -12.496 1.00 0.00 C ATOM 1232 NE2 HIS A 77 7.866 5.290 -11.849 1.00 0.00 N ATOM 0 H HIS A 77 8.980 -0.808 -12.364 1.00 0.00 H new ATOM 0 HA HIS A 77 9.903 1.572 -10.936 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.995 1.466 -13.356 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.411 1.321 -12.620 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.522 3.669 -11.231 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.600 6.160 -12.747 1.00 0.00 H new ATOM 0 HE2 HIS A 77 7.380 6.118 -11.505 1.00 0.00 H new ATOM 1241 N TRP A 78 7.356 -0.224 -10.045 1.00 0.00 N ATOM 1242 CA TRP A 78 6.501 -0.527 -8.913 1.00 0.00 C ATOM 1243 C TRP A 78 7.173 -1.581 -8.055 1.00 0.00 C ATOM 1244 O TRP A 78 8.118 -2.235 -8.496 1.00 0.00 O ATOM 1245 CB TRP A 78 5.131 -1.036 -9.373 1.00 0.00 C ATOM 1246 CG TRP A 78 4.205 0.043 -9.838 1.00 0.00 C ATOM 1247 CD1 TRP A 78 4.128 0.579 -11.088 1.00 0.00 C ATOM 1248 CD2 TRP A 78 3.211 0.709 -9.051 1.00 0.00 C ATOM 1249 NE1 TRP A 78 3.153 1.544 -11.128 1.00 0.00 N ATOM 1250 CE2 TRP A 78 2.575 1.643 -9.887 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.802 0.609 -7.717 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 1.546 2.468 -9.433 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.783 1.427 -7.268 1.00 0.00 C ATOM 1254 CH2 TRP A 78 1.167 2.349 -8.123 1.00 0.00 C ATOM 0 H TRP A 78 7.375 -0.949 -10.762 1.00 0.00 H new ATOM 0 HA TRP A 78 6.346 0.386 -8.339 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.274 -1.752 -10.183 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.660 -1.575 -8.551 1.00 0.00 H new ATOM 0 HD1 TRP A 78 4.744 0.287 -11.925 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.899 2.097 -11.946 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.275 -0.096 -7.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 1.065 3.176 -10.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 1.456 1.354 -6.241 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.377 2.979 -7.741 1.00 0.00 H new ATOM 1265 N SER A 79 6.698 -1.748 -6.838 1.00 0.00 N ATOM 1266 CA SER A 79 7.238 -2.767 -5.961 1.00 0.00 C ATOM 1267 C SER A 79 6.121 -3.669 -5.463 1.00 0.00 C ATOM 1268 O SER A 79 5.114 -3.199 -4.935 1.00 0.00 O ATOM 1269 CB SER A 79 7.954 -2.125 -4.775 1.00 0.00 C ATOM 1270 OG SER A 79 8.885 -1.148 -5.208 1.00 0.00 O ATOM 0 H SER A 79 5.942 -1.194 -6.435 1.00 0.00 H new ATOM 0 HA SER A 79 7.957 -3.364 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.223 -1.665 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.470 -2.893 -4.199 1.00 0.00 H new ATOM 0 HG SER A 79 9.328 -0.751 -4.429 1.00 0.00 H new ATOM 1276 N THR A 80 6.304 -4.964 -5.649 1.00 0.00 N ATOM 1277 CA THR A 80 5.317 -5.945 -5.238 1.00 0.00 C ATOM 1278 C THR A 80 5.824 -6.739 -4.042 1.00 0.00 C ATOM 1279 O THR A 80 6.819 -7.456 -4.134 1.00 0.00 O ATOM 1280 CB THR A 80 4.962 -6.906 -6.394 1.00 0.00 C ATOM 1281 OG1 THR A 80 4.422 -6.165 -7.503 1.00 0.00 O ATOM 1282 CG2 THR A 80 3.953 -7.953 -5.947 1.00 0.00 C ATOM 0 H THR A 80 7.135 -5.363 -6.086 1.00 0.00 H new ATOM 0 HA THR A 80 4.413 -5.406 -4.954 1.00 0.00 H new ATOM 0 HB THR A 80 5.876 -7.414 -6.701 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.498 -6.699 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.722 -8.615 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.372 -8.535 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.041 -7.459 -5.612 1.00 0.00 H new ATOM 1290 N VAL A 81 5.151 -6.582 -2.921 1.00 0.00 N ATOM 1291 CA VAL A 81 5.507 -7.303 -1.715 1.00 0.00 C ATOM 1292 C VAL A 81 4.525 -8.444 -1.480 1.00 0.00 C ATOM 1293 O VAL A 81 3.331 -8.216 -1.284 1.00 0.00 O ATOM 1294 CB VAL A 81 5.516 -6.375 -0.482 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.921 -7.141 0.770 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.441 -5.186 -0.703 1.00 0.00 C ATOM 0 H VAL A 81 4.350 -5.958 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 81 6.512 -7.701 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 81 4.503 -5.997 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.920 -6.466 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.213 -7.951 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.920 -7.555 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.430 -4.547 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.456 -5.542 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.101 -4.616 -1.567 1.00 0.00 H new ATOM 1306 N TYR A 82 5.031 -9.667 -1.533 1.00 0.00 N ATOM 1307 CA TYR A 82 4.220 -10.840 -1.250 1.00 0.00 C ATOM 1308 C TYR A 82 4.211 -11.121 0.242 1.00 0.00 C ATOM 1309 O TYR A 82 5.243 -11.468 0.818 1.00 0.00 O ATOM 1310 CB TYR A 82 4.751 -12.070 -1.993 1.00 0.00 C ATOM 1311 CG TYR A 82 4.466 -12.077 -3.479 1.00 0.00 C ATOM 1312 CD1 TYR A 82 5.253 -11.353 -4.363 1.00 0.00 C ATOM 1313 CD2 TYR A 82 3.414 -12.823 -3.995 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.997 -11.366 -5.721 1.00 0.00 C ATOM 1315 CE2 TYR A 82 3.154 -12.844 -5.352 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.949 -12.115 -6.209 1.00 0.00 C ATOM 1317 OH TYR A 82 3.691 -12.129 -7.562 1.00 0.00 O ATOM 0 H TYR A 82 6.002 -9.872 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 82 3.206 -10.635 -1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.829 -12.133 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.314 -12.964 -1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.079 -10.770 -3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.790 -13.396 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.615 -10.792 -6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.332 -13.429 -5.739 1.00 0.00 H new ATOM 0 HH TYR A 82 2.920 -12.706 -7.742 1.00 0.00 H new ATOM 1327 N LEU A 83 3.055 -10.971 0.864 1.00 0.00 N ATOM 1328 CA LEU A 83 2.918 -11.257 2.281 1.00 0.00 C ATOM 1329 C LEU A 83 2.746 -12.756 2.476 1.00 0.00 C ATOM 1330 O LEU A 83 1.663 -13.249 2.797 1.00 0.00 O ATOM 1331 CB LEU A 83 1.740 -10.483 2.878 1.00 0.00 C ATOM 1332 CG LEU A 83 1.819 -8.961 2.710 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.563 -8.297 3.252 1.00 0.00 C ATOM 1334 CD2 LEU A 83 3.059 -8.407 3.403 1.00 0.00 C ATOM 0 H LEU A 83 2.198 -10.653 0.411 1.00 0.00 H new ATOM 0 HA LEU A 83 3.818 -10.934 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.819 -10.838 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.673 -10.714 3.941 1.00 0.00 H new ATOM 0 HG LEU A 83 1.893 -8.738 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.638 -7.217 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.307 -8.667 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.457 -8.530 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.096 -7.326 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.017 -8.642 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.951 -8.856 2.967 1.00 0.00 H new ATOM 1346 N ASP A 84 3.826 -13.479 2.231 1.00 0.00 N ATOM 1347 CA ASP A 84 3.829 -14.927 2.319 1.00 0.00 C ATOM 1348 C ASP A 84 5.174 -15.399 2.837 1.00 0.00 C ATOM 1349 O ASP A 84 6.146 -15.484 2.082 1.00 0.00 O ATOM 1350 CB ASP A 84 3.541 -15.551 0.949 1.00 0.00 C ATOM 1351 CG ASP A 84 3.378 -17.057 1.018 1.00 0.00 C ATOM 1352 OD1 ASP A 84 2.301 -17.515 1.441 1.00 0.00 O ATOM 1353 OD2 ASP A 84 4.312 -17.789 0.621 1.00 0.00 O ATOM 0 H ASP A 84 4.725 -13.077 1.965 1.00 0.00 H new ATOM 0 HA ASP A 84 3.045 -15.242 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.634 -15.109 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.354 -15.308 0.265 1.00 0.00 H new ATOM 1358 N GLY A 85 5.239 -15.644 4.136 1.00 0.00 N ATOM 1359 CA GLY A 85 6.474 -16.081 4.753 1.00 0.00 C ATOM 1360 C GLY A 85 7.362 -14.917 5.139 1.00 0.00 C ATOM 1361 O GLY A 85 7.780 -14.797 6.291 1.00 0.00 O ATOM 0 H GLY A 85 4.453 -15.547 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.246 -16.672 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.011 -16.733 4.065 1.00 0.00 H new ATOM 1365 N SER A 86 7.638 -14.053 4.178 1.00 0.00 N ATOM 1366 CA SER A 86 8.491 -12.897 4.402 1.00 0.00 C ATOM 1367 C SER A 86 7.712 -11.747 5.039 1.00 0.00 C ATOM 1368 O SER A 86 6.551 -11.513 4.695 1.00 0.00 O ATOM 1369 CB SER A 86 9.110 -12.453 3.074 1.00 0.00 C ATOM 1370 OG SER A 86 9.785 -13.536 2.449 1.00 0.00 O ATOM 0 H SER A 86 7.280 -14.131 3.226 1.00 0.00 H new ATOM 0 HA SER A 86 9.284 -13.180 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.331 -12.073 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.808 -11.634 3.248 1.00 0.00 H new ATOM 0 HG SER A 86 10.361 -13.194 1.734 1.00 0.00 H new ATOM 1376 N LEU A 87 8.370 -11.058 5.980 1.00 0.00 N ATOM 1377 CA LEU A 87 7.827 -9.878 6.655 1.00 0.00 C ATOM 1378 C LEU A 87 6.691 -10.227 7.626 1.00 0.00 C ATOM 1379 O LEU A 87 5.749 -10.942 7.282 1.00 0.00 O ATOM 1380 CB LEU A 87 7.358 -8.833 5.640 1.00 0.00 C ATOM 1381 CG LEU A 87 8.433 -8.324 4.674 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.855 -7.267 3.748 1.00 0.00 C ATOM 1383 CD2 LEU A 87 9.628 -7.773 5.439 1.00 0.00 C ATOM 0 H LEU A 87 9.306 -11.310 6.296 1.00 0.00 H new ATOM 0 HA LEU A 87 8.640 -9.456 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.542 -9.259 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.950 -7.981 6.184 1.00 0.00 H new ATOM 0 HG LEU A 87 8.776 -9.163 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.631 -6.915 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.035 -7.697 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.484 -6.430 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.379 -7.417 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.305 -6.947 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.057 -8.560 6.059 1.00 0.00 H new ATOM 1395 N PRO A 88 6.794 -9.743 8.875 1.00 0.00 N ATOM 1396 CA PRO A 88 5.756 -9.929 9.892 1.00 0.00 C ATOM 1397 C PRO A 88 4.638 -8.886 9.790 1.00 0.00 C ATOM 1398 O PRO A 88 4.667 -8.016 8.916 1.00 0.00 O ATOM 1399 CB PRO A 88 6.533 -9.754 11.194 1.00 0.00 C ATOM 1400 CG PRO A 88 7.613 -8.782 10.857 1.00 0.00 C ATOM 1401 CD PRO A 88 7.956 -9.005 9.406 1.00 0.00 C ATOM 0 HA PRO A 88 5.248 -10.889 9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.893 -9.375 11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.946 -10.702 11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.278 -7.758 11.023 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.486 -8.938 11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.104 -8.061 8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.877 -9.578 9.297 1.00 0.00 H new ATOM 1409 N ASP A 89 3.673 -8.959 10.711 1.00 0.00 N ATOM 1410 CA ASP A 89 2.510 -8.065 10.694 1.00 0.00 C ATOM 1411 C ASP A 89 2.937 -6.605 10.781 1.00 0.00 C ATOM 1412 O ASP A 89 2.343 -5.737 10.142 1.00 0.00 O ATOM 1413 CB ASP A 89 1.559 -8.362 11.860 1.00 0.00 C ATOM 1414 CG ASP A 89 0.949 -9.749 11.818 1.00 0.00 C ATOM 1415 OD1 ASP A 89 0.022 -9.980 11.013 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.376 -10.610 12.619 1.00 0.00 O ATOM 0 H ASP A 89 3.674 -9.629 11.480 1.00 0.00 H new ATOM 0 HA ASP A 89 1.994 -8.242 9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.102 -8.243 12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.758 -7.623 11.859 1.00 0.00 H new ATOM 1421 N SER A 90 3.970 -6.350 11.582 1.00 0.00 N ATOM 1422 CA SER A 90 4.458 -4.996 11.831 1.00 0.00 C ATOM 1423 C SER A 90 4.771 -4.259 10.529 1.00 0.00 C ATOM 1424 O SER A 90 4.450 -3.079 10.376 1.00 0.00 O ATOM 1425 CB SER A 90 5.706 -5.075 12.705 1.00 0.00 C ATOM 1426 OG SER A 90 5.515 -6.014 13.751 1.00 0.00 O ATOM 0 H SER A 90 4.491 -7.075 12.075 1.00 0.00 H new ATOM 0 HA SER A 90 3.677 -4.433 12.341 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.565 -5.364 12.099 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.928 -4.093 13.124 1.00 0.00 H new ATOM 0 HG SER A 90 6.323 -6.057 14.304 1.00 0.00 H new ATOM 1432 N GLN A 91 5.370 -4.972 9.583 1.00 0.00 N ATOM 1433 CA GLN A 91 5.739 -4.393 8.308 1.00 0.00 C ATOM 1434 C GLN A 91 4.501 -4.026 7.500 1.00 0.00 C ATOM 1435 O GLN A 91 4.479 -3.009 6.810 1.00 0.00 O ATOM 1436 CB GLN A 91 6.600 -5.387 7.538 1.00 0.00 C ATOM 1437 CG GLN A 91 7.985 -5.583 8.130 1.00 0.00 C ATOM 1438 CD GLN A 91 8.876 -4.370 7.956 1.00 0.00 C ATOM 1439 OE1 GLN A 91 9.584 -4.244 6.957 1.00 0.00 O ATOM 1440 NE2 GLN A 91 8.854 -3.467 8.923 1.00 0.00 N ATOM 0 H GLN A 91 5.610 -5.959 9.681 1.00 0.00 H new ATOM 0 HA GLN A 91 6.306 -3.478 8.483 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.089 -6.349 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.700 -5.046 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.892 -5.810 9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.457 -6.445 7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.254 -3.605 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.437 -2.633 8.855 1.00 0.00 H new ATOM 1449 N ILE A 92 3.461 -4.847 7.617 1.00 0.00 N ATOM 1450 CA ILE A 92 2.227 -4.642 6.867 1.00 0.00 C ATOM 1451 C ILE A 92 1.568 -3.318 7.254 1.00 0.00 C ATOM 1452 O ILE A 92 1.046 -2.599 6.397 1.00 0.00 O ATOM 1453 CB ILE A 92 1.228 -5.799 7.097 1.00 0.00 C ATOM 1454 CG1 ILE A 92 1.923 -7.149 6.891 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.038 -5.666 6.155 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.045 -8.343 7.198 1.00 0.00 C ATOM 0 H ILE A 92 3.449 -5.664 8.227 1.00 0.00 H new ATOM 0 HA ILE A 92 2.494 -4.616 5.810 1.00 0.00 H new ATOM 0 HB ILE A 92 0.865 -5.747 8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.264 -7.217 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.810 -7.190 7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.657 -6.488 6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.468 -4.718 6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.386 -5.697 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.607 -9.261 7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.724 -8.301 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.170 -8.328 6.548 1.00 0.00 H new ATOM 1468 N TYR A 93 1.607 -2.993 8.546 1.00 0.00 N ATOM 1469 CA TYR A 93 1.067 -1.723 9.033 1.00 0.00 C ATOM 1470 C TYR A 93 1.798 -0.558 8.378 1.00 0.00 C ATOM 1471 O TYR A 93 1.178 0.391 7.893 1.00 0.00 O ATOM 1472 CB TYR A 93 1.207 -1.601 10.556 1.00 0.00 C ATOM 1473 CG TYR A 93 0.409 -2.612 11.352 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.963 -2.478 11.510 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.036 -3.686 11.961 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.687 -3.392 12.255 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.321 -4.606 12.702 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.039 -4.455 12.847 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.749 -5.365 13.597 1.00 0.00 O ATOM 0 H TYR A 93 2.005 -3.589 9.272 1.00 0.00 H new ATOM 0 HA TYR A 93 0.009 -1.696 8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.260 -1.703 10.819 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.899 -0.599 10.856 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.473 -1.648 11.045 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.104 -3.806 11.854 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.754 -3.273 12.372 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.827 -5.440 13.166 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.140 -6.051 13.941 1.00 0.00 H new ATOM 1489 N TYR A 94 3.122 -0.654 8.350 1.00 0.00 N ATOM 1490 CA TYR A 94 3.959 0.424 7.843 1.00 0.00 C ATOM 1491 C TYR A 94 3.785 0.590 6.336 1.00 0.00 C ATOM 1492 O TYR A 94 3.862 1.705 5.822 1.00 0.00 O ATOM 1493 CB TYR A 94 5.430 0.160 8.182 1.00 0.00 C ATOM 1494 CG TYR A 94 6.324 1.361 7.971 1.00 0.00 C ATOM 1495 CD1 TYR A 94 6.324 2.412 8.878 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.167 1.444 6.870 1.00 0.00 C ATOM 1497 CE1 TYR A 94 7.134 3.515 8.693 1.00 0.00 C ATOM 1498 CE2 TYR A 94 7.983 2.544 6.678 1.00 0.00 C ATOM 1499 CZ TYR A 94 7.961 3.577 7.591 1.00 0.00 C ATOM 1500 OH TYR A 94 8.766 4.676 7.401 1.00 0.00 O ATOM 0 H TYR A 94 3.640 -1.471 8.674 1.00 0.00 H new ATOM 0 HA TYR A 94 3.647 1.351 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.503 -0.159 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.793 -0.665 7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.679 2.366 9.743 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.185 0.637 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.120 4.325 9.407 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.634 2.594 5.818 1.00 0.00 H new ATOM 0 HH TYR A 94 9.287 4.562 6.579 1.00 0.00 H new ATOM 1510 N LEU A 95 3.544 -0.519 5.637 1.00 0.00 N ATOM 1511 CA LEU A 95 3.324 -0.493 4.189 1.00 0.00 C ATOM 1512 C LEU A 95 2.202 0.476 3.826 1.00 0.00 C ATOM 1513 O LEU A 95 2.344 1.308 2.927 1.00 0.00 O ATOM 1514 CB LEU A 95 2.977 -1.892 3.671 1.00 0.00 C ATOM 1515 CG LEU A 95 4.082 -2.939 3.823 1.00 0.00 C ATOM 1516 CD1 LEU A 95 3.589 -4.306 3.379 1.00 0.00 C ATOM 1517 CD2 LEU A 95 5.314 -2.533 3.028 1.00 0.00 C ATOM 0 H LEU A 95 3.496 -1.450 6.051 1.00 0.00 H new ATOM 0 HA LEU A 95 4.248 -0.156 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.090 -2.246 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.714 -1.816 2.616 1.00 0.00 H new ATOM 0 HG LEU A 95 4.355 -2.998 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.389 -5.037 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.737 -4.602 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.287 -4.262 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.090 -3.289 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.053 -2.444 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.683 -1.574 3.393 1.00 0.00 H new ATOM 1529 N VAL A 96 1.093 0.368 4.541 1.00 0.00 N ATOM 1530 CA VAL A 96 -0.053 1.233 4.306 1.00 0.00 C ATOM 1531 C VAL A 96 0.196 2.625 4.878 1.00 0.00 C ATOM 1532 O VAL A 96 -0.073 3.634 4.221 1.00 0.00 O ATOM 1533 CB VAL A 96 -1.339 0.642 4.928 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -2.531 1.564 4.705 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -1.619 -0.740 4.358 1.00 0.00 C ATOM 0 H VAL A 96 0.962 -0.311 5.290 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.190 1.307 3.227 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.182 0.550 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.421 1.123 5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.334 2.532 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.692 1.698 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.528 -1.141 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.748 -0.669 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.782 -1.402 4.580 1.00 0.00 H new ATOM 1545 N ASP A 97 0.731 2.670 6.092 1.00 0.00 N ATOM 1546 CA ASP A 97 0.936 3.932 6.797 1.00 0.00 C ATOM 1547 C ASP A 97 1.873 4.859 6.031 1.00 0.00 C ATOM 1548 O ASP A 97 1.528 6.009 5.764 1.00 0.00 O ATOM 1549 CB ASP A 97 1.491 3.686 8.199 1.00 0.00 C ATOM 1550 CG ASP A 97 1.641 4.973 8.985 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.639 5.429 9.578 1.00 0.00 O ATOM 1552 OD2 ASP A 97 2.752 5.536 9.014 1.00 0.00 O ATOM 0 H ASP A 97 1.032 1.845 6.611 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.037 4.417 6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.829 3.008 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.460 3.192 8.124 1.00 0.00 H new ATOM 1557 N ALA A 98 3.044 4.350 5.667 1.00 0.00 N ATOM 1558 CA ALA A 98 4.050 5.153 4.983 1.00 0.00 C ATOM 1559 C ALA A 98 3.523 5.684 3.653 1.00 0.00 C ATOM 1560 O ALA A 98 3.697 6.861 3.331 1.00 0.00 O ATOM 1561 CB ALA A 98 5.318 4.340 4.763 1.00 0.00 C ATOM 0 H ALA A 98 3.321 3.383 5.835 1.00 0.00 H new ATOM 0 HA ALA A 98 4.285 6.008 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.059 4.954 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.715 4.018 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.088 3.465 4.154 1.00 0.00 H new ATOM 1567 N SER A 99 2.868 4.815 2.894 1.00 0.00 N ATOM 1568 CA SER A 99 2.318 5.190 1.599 1.00 0.00 C ATOM 1569 C SER A 99 1.234 6.254 1.755 1.00 0.00 C ATOM 1570 O SER A 99 1.212 7.244 1.024 1.00 0.00 O ATOM 1571 CB SER A 99 1.758 3.955 0.896 1.00 0.00 C ATOM 1572 OG SER A 99 2.753 2.954 0.776 1.00 0.00 O ATOM 0 H SER A 99 2.705 3.842 3.155 1.00 0.00 H new ATOM 0 HA SER A 99 3.118 5.613 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.908 3.565 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.389 4.229 -0.092 1.00 0.00 H new ATOM 0 HG SER A 99 2.766 2.406 1.589 1.00 0.00 H new ATOM 1578 N TYR A 100 0.348 6.052 2.720 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.722 7.003 2.986 1.00 0.00 C ATOM 1580 C TYR A 100 -0.151 8.331 3.464 1.00 0.00 C ATOM 1581 O TYR A 100 -0.565 9.396 3.010 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.683 6.430 4.036 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.743 7.407 4.508 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.919 7.594 3.792 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.563 8.141 5.673 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.883 8.487 4.225 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -3.520 9.033 6.111 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.679 9.203 5.385 1.00 0.00 C ATOM 1589 OH TYR A 100 -5.629 10.095 5.820 1.00 0.00 O ATOM 0 H TYR A 100 0.349 5.237 3.333 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.271 7.178 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -2.175 5.551 3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.105 6.095 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.083 7.034 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.657 8.011 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.791 8.622 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.362 9.596 7.019 1.00 0.00 H new ATOM 0 HH TYR A 100 -6.349 9.610 6.275 1.00 0.00 H new ATOM 1599 N GLN A 101 0.814 8.253 4.368 1.00 0.00 N ATOM 1600 CA GLN A 101 1.382 9.436 4.996 1.00 0.00 C ATOM 1601 C GLN A 101 2.046 10.345 3.973 1.00 0.00 C ATOM 1602 O GLN A 101 1.795 11.549 3.951 1.00 0.00 O ATOM 1603 CB GLN A 101 2.401 9.029 6.053 1.00 0.00 C ATOM 1604 CG GLN A 101 2.757 10.144 7.020 1.00 0.00 C ATOM 1605 CD GLN A 101 1.536 10.742 7.693 1.00 0.00 C ATOM 1606 OE1 GLN A 101 1.089 10.259 8.732 1.00 0.00 O ATOM 1607 NE2 GLN A 101 0.995 11.801 7.111 1.00 0.00 N ATOM 0 H GLN A 101 1.223 7.374 4.685 1.00 0.00 H new ATOM 0 HA GLN A 101 0.566 9.987 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.008 8.183 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.309 8.687 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.435 9.758 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.293 10.928 6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.397 12.170 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.176 12.247 7.524 1.00 0.00 H new ATOM 1616 N GLN A 102 2.894 9.766 3.132 1.00 0.00 N ATOM 1617 CA GLN A 102 3.607 10.548 2.125 1.00 0.00 C ATOM 1618 C GLN A 102 2.634 11.183 1.133 1.00 0.00 C ATOM 1619 O GLN A 102 2.871 12.288 0.644 1.00 0.00 O ATOM 1620 CB GLN A 102 4.652 9.697 1.392 1.00 0.00 C ATOM 1621 CG GLN A 102 4.088 8.505 0.638 1.00 0.00 C ATOM 1622 CD GLN A 102 5.159 7.754 -0.129 1.00 0.00 C ATOM 1623 OE1 GLN A 102 4.989 6.450 -0.275 1.00 0.00 O flip ATOM 1624 NE2 GLN A 102 6.137 8.344 -0.583 1.00 0.00 N flip ATOM 0 H GLN A 102 3.105 8.768 3.125 1.00 0.00 H new ATOM 0 HA GLN A 102 4.134 11.348 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.189 10.333 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.381 9.338 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.605 7.827 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.319 8.846 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.232 9.351 -0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.853 7.827 -1.093 1.00 0.00 H new ATOM 1633 N ALA A 103 1.529 10.498 0.860 1.00 0.00 N ATOM 1634 CA ALA A 103 0.503 11.033 -0.022 1.00 0.00 C ATOM 1635 C ALA A 103 -0.173 12.240 0.618 1.00 0.00 C ATOM 1636 O ALA A 103 -0.480 13.222 -0.057 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.521 9.962 -0.361 1.00 0.00 C ATOM 0 H ALA A 103 1.323 9.573 1.237 1.00 0.00 H new ATOM 0 HA ALA A 103 0.978 11.356 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.280 10.381 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.025 9.129 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.993 9.607 0.555 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.388 12.166 1.928 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.960 13.280 2.677 1.00 0.00 C ATOM 1645 C VAL A 104 -0.004 14.468 2.693 1.00 0.00 C ATOM 1646 O VAL A 104 -0.430 15.621 2.628 1.00 0.00 O ATOM 1647 CB VAL A 104 -1.301 12.873 4.129 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.810 14.067 4.927 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -2.330 11.754 4.138 1.00 0.00 C ATOM 0 H VAL A 104 -0.174 11.345 2.494 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.883 13.566 2.173 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.387 12.514 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.042 13.752 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.043 14.841 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.709 14.463 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.559 11.479 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.240 12.092 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.930 10.888 3.611 1.00 0.00 H new ATOM 1659 N ASN A 105 1.291 14.182 2.758 1.00 0.00 N ATOM 1660 CA ASN A 105 2.308 15.231 2.769 1.00 0.00 C ATOM 1661 C ASN A 105 2.324 15.986 1.443 1.00 0.00 C ATOM 1662 O ASN A 105 2.744 17.143 1.380 1.00 0.00 O ATOM 1663 CB ASN A 105 3.698 14.645 3.056 1.00 0.00 C ATOM 1664 CG ASN A 105 3.800 14.032 4.439 1.00 0.00 C ATOM 1665 OD1 ASN A 105 3.093 14.435 5.366 1.00 0.00 O ATOM 1666 ND2 ASN A 105 4.691 13.063 4.597 1.00 0.00 N ATOM 0 H ASN A 105 1.663 13.233 2.804 1.00 0.00 H new ATOM 0 HA ASN A 105 2.054 15.930 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.929 13.886 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.447 15.430 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.810 12.623 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.257 12.757 3.806 1.00 0.00 H new ATOM 1673 N LEU A 106 1.849 15.324 0.393 1.00 0.00 N ATOM 1674 CA LEU A 106 1.782 15.926 -0.935 1.00 0.00 C ATOM 1675 C LEU A 106 0.468 16.685 -1.121 1.00 0.00 C ATOM 1676 O LEU A 106 0.276 17.381 -2.121 1.00 0.00 O ATOM 1677 CB LEU A 106 1.912 14.844 -2.011 1.00 0.00 C ATOM 1678 CG LEU A 106 3.221 14.052 -1.987 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.205 12.969 -3.055 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.413 14.977 -2.183 1.00 0.00 C ATOM 0 H LEU A 106 1.503 14.365 0.436 1.00 0.00 H new ATOM 0 HA LEU A 106 2.607 16.631 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.082 14.146 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.808 15.313 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 106 3.316 13.575 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.143 12.415 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.375 12.288 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.086 13.428 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.333 14.394 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.326 15.484 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.435 15.717 -1.383 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.431 16.548 -0.156 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.723 17.216 -0.218 1.00 0.00 C ATOM 1694 C LEU A 107 -1.606 18.658 0.262 1.00 0.00 C ATOM 1695 O LEU A 107 -0.753 18.976 1.096 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.762 16.463 0.621 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.103 15.055 0.130 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.107 14.397 1.062 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.646 15.100 -1.290 1.00 0.00 C ATOM 0 H LEU A 107 -0.289 15.980 0.679 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.052 17.221 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.396 16.394 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.679 17.052 0.649 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.189 14.461 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.339 13.396 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.684 14.330 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.019 14.992 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.883 14.089 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.549 15.711 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.896 15.533 -1.953 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.451 19.552 -0.275 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.473 20.964 0.117 1.00 0.00 C ATOM 1713 C PRO A 108 -2.862 21.155 1.582 1.00 0.00 C ATOM 1714 O PRO A 108 -3.415 20.245 2.214 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.531 21.586 -0.805 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.694 20.614 -1.921 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.442 19.263 -1.323 1.00 0.00 C ATOM 0 HA PRO A 108 -1.489 21.423 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.472 21.741 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.209 22.560 -1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.695 20.672 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.991 20.822 -2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.352 18.827 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.057 18.559 -2.061 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.584 22.347 2.102 1.00 0.00 N ATOM 1726 CA GLU A 109 -2.833 22.678 3.502 1.00 0.00 C ATOM 1727 C GLU A 109 -4.276 22.363 3.889 1.00 0.00 C ATOM 1728 O GLU A 109 -4.533 21.722 4.907 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.559 24.165 3.733 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.241 24.517 5.175 1.00 0.00 C ATOM 1731 CD GLU A 109 -0.857 24.063 5.577 1.00 0.00 C ATOM 1732 OE1 GLU A 109 0.120 24.756 5.227 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -0.734 23.008 6.232 1.00 0.00 O ATOM 0 H GLU A 109 -2.179 23.113 1.563 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.168 22.076 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.725 24.473 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.429 24.738 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.323 25.595 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.979 24.056 5.832 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.205 22.806 3.046 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.632 22.646 3.278 1.00 0.00 C ATOM 1742 C GLU A 110 -7.002 21.199 3.591 1.00 0.00 C ATOM 1743 O GLU A 110 -7.675 20.920 4.583 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.386 23.110 2.038 1.00 0.00 C ATOM 1745 CG GLU A 110 -8.890 23.024 2.162 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.590 23.419 0.882 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.646 24.626 0.579 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.069 22.523 0.160 1.00 0.00 O ATOM 0 H GLU A 110 -4.983 23.290 2.176 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.907 23.248 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.108 24.142 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.067 22.509 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.173 22.006 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.224 23.672 2.972 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.540 20.288 2.750 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.909 18.881 2.858 1.00 0.00 C ATOM 1757 C LYS A 111 -6.351 18.252 4.129 1.00 0.00 C ATOM 1758 O LYS A 111 -7.058 17.535 4.835 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.426 18.109 1.630 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.414 18.114 0.467 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.701 19.519 -0.038 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.752 19.511 -1.138 1.00 0.00 C ATOM 1763 NZ LYS A 111 -9.058 20.880 -1.630 1.00 0.00 N ATOM 0 H LYS A 111 -5.905 20.497 1.980 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.996 18.826 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.481 18.536 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.224 17.077 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.015 17.511 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.346 17.646 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.043 20.141 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.781 19.966 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.402 18.898 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.665 19.049 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.930 20.859 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.187 21.519 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.272 21.221 -2.219 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.094 18.537 4.430 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.446 17.957 5.596 1.00 0.00 C ATOM 1779 C ARG A 112 -5.135 18.394 6.887 1.00 0.00 C ATOM 1780 O ARG A 112 -5.329 17.586 7.796 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.976 18.344 5.638 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.198 17.928 4.404 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.706 18.166 4.578 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.395 19.560 4.896 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.719 20.173 4.505 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.602 19.530 3.753 1.00 0.00 N ATOM 1787 NH2 ARG A 112 0.950 21.428 4.859 1.00 0.00 N ATOM 0 H ARG A 112 -4.503 19.165 3.885 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.527 16.873 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.898 19.424 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.516 17.891 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.377 16.873 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.558 18.487 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.329 17.522 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.187 17.881 3.663 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.069 20.091 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.427 18.565 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.456 20.001 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.272 21.929 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.806 21.894 4.557 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.514 19.669 6.958 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.196 20.205 8.126 1.00 0.00 C ATOM 1803 C LYS A 113 -7.527 19.493 8.357 1.00 0.00 C ATOM 1804 O LYS A 113 -7.955 19.310 9.499 1.00 0.00 O ATOM 1805 CB LYS A 113 -6.437 21.703 7.951 1.00 0.00 C ATOM 1806 CG LYS A 113 -5.166 22.517 7.770 1.00 0.00 C ATOM 1807 CD LYS A 113 -5.468 24.001 7.601 1.00 0.00 C ATOM 1808 CE LYS A 113 -6.434 24.248 6.451 1.00 0.00 C ATOM 1809 NZ LYS A 113 -6.757 25.690 6.290 1.00 0.00 N ATOM 0 H LYS A 113 -5.358 20.350 6.215 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.560 20.039 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.082 21.858 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.976 22.078 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.516 22.374 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.622 22.154 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.893 24.394 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.540 24.544 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.000 23.869 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.353 23.688 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.417 25.811 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.196 26.047 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.884 26.222 6.099 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.177 19.094 7.269 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.426 18.370 7.340 1.00 0.00 C ATOM 1825 C LEU A 114 -9.199 16.948 7.839 1.00 0.00 C ATOM 1826 O LEU A 114 -9.948 16.450 8.679 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.072 18.352 5.960 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.651 19.689 5.494 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.189 19.572 4.077 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.742 20.155 6.448 1.00 0.00 C ATOM 0 H LEU A 114 -7.848 19.266 6.319 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.089 18.870 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.329 18.023 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.870 17.609 5.960 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.854 20.432 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.597 20.533 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.382 19.282 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.975 18.817 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.144 21.108 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.540 19.413 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.324 20.278 7.447 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.145 16.313 7.335 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.813 14.937 7.706 1.00 0.00 C ATOM 1844 C LEU A 115 -7.504 14.816 9.197 1.00 0.00 C ATOM 1845 O LEU A 115 -7.710 13.761 9.795 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.622 14.439 6.884 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.862 14.367 5.375 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.600 13.917 4.655 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -8.021 13.431 5.059 1.00 0.00 C ATOM 0 H LEU A 115 -7.501 16.731 6.664 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.684 14.318 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.772 15.095 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.344 13.447 7.240 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.123 15.365 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.790 13.872 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.796 14.627 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.309 12.930 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.175 13.394 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.792 12.431 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.927 13.797 5.543 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.007 15.897 9.792 1.00 0.00 N ATOM 1862 CA VAL A 116 -6.721 15.921 11.223 1.00 0.00 C ATOM 1863 C VAL A 116 -8.017 15.909 12.033 1.00 0.00 C ATOM 1864 O VAL A 116 -8.096 15.298 13.097 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.878 17.160 11.610 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -5.606 17.192 13.105 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -4.573 17.179 10.837 1.00 0.00 C ATOM 0 H VAL A 116 -6.794 16.768 9.305 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.145 15.025 11.454 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.452 18.050 11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -5.012 18.073 13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.551 17.231 13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -5.059 16.295 13.395 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.994 18.057 11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.002 16.278 11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.784 17.215 9.768 1.00 0.00 H new ATOM 1877 N GLN A 117 -9.035 16.573 11.506 1.00 0.00 N ATOM 1878 CA GLN A 117 -10.320 16.670 12.170 1.00 0.00 C ATOM 1879 C GLN A 117 -11.103 15.366 12.064 1.00 0.00 C ATOM 1880 O GLN A 117 -11.928 15.054 12.926 1.00 0.00 O ATOM 1881 CB GLN A 117 -11.118 17.807 11.545 1.00 0.00 C ATOM 1882 CG GLN A 117 -10.483 19.173 11.728 1.00 0.00 C ATOM 1883 CD GLN A 117 -10.364 19.564 13.185 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -9.362 19.281 13.842 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -11.394 20.206 13.705 1.00 0.00 N ATOM 0 H GLN A 117 -8.991 17.057 10.609 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.150 16.868 13.228 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.237 17.612 10.479 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.117 17.820 11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.493 19.174 11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.077 19.920 11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.206 20.422 13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.378 20.486 14.686 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.851 14.627 10.997 1.00 0.00 N ATOM 1895 CA LEU A 118 -11.571 13.393 10.721 1.00 0.00 C ATOM 1896 C LEU A 118 -11.207 12.304 11.728 1.00 0.00 C ATOM 1897 O LEU A 118 -12.090 11.894 12.508 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.279 12.922 9.293 1.00 0.00 C ATOM 1899 CG LEU A 118 -11.696 13.894 8.187 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.325 13.338 6.822 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.188 14.178 8.256 1.00 0.00 C ATOM 0 H LEU A 118 -10.145 14.863 10.300 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.638 13.592 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.210 12.731 9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.788 11.972 9.130 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.161 14.832 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.629 14.042 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.247 13.186 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.833 12.386 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.464 14.871 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.742 13.247 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.430 14.620 9.223 1.00 0.00 H new TER 1913 LEU A 118