USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot -55:sc= 0.253 USER MOD Set 1.2: A 38 CYS SG : rot -146:sc= 1.67 USER MOD Set 1.3: A 41 CYS SG : rot 170:sc= 0.611 USER MOD Set 2.1: A 9 CYS SG : rot -8:sc= -0.465! USER MOD Set 2.2: A 14 THR OG1 : rot 100:sc= -0.641! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc=-0.000992 X(o=-0.00099,f=-0.43) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.571 X(o=-0.57,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc=-0.00108 (180deg=-0.159) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000605) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.974) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.116) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -164:sc= -0.575 (180deg=-1.12) USER MOD Single : A 82 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 87 LYS NZ :NH3+ -124:sc= 0.0823 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0495) USER MOD Single : A 95 THR OG1 : rot 57:sc= 0.0157 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 77:sc= 0.0473 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.91) USER MOD Single : A 112 THR OG1 : rot 87:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.107 6.022 17.339 1.00 0.00 N ATOM 2 CA ALA A 1 -12.130 6.410 16.366 1.00 0.00 C ATOM 3 C ALA A 1 -12.593 6.666 14.911 1.00 0.00 C ATOM 4 O ALA A 1 -13.645 6.217 14.489 1.00 0.00 O ATOM 5 CB ALA A 1 -10.926 5.394 16.421 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.645 5.888 18.261 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.831 6.764 17.419 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.556 5.131 17.044 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.839 7.416 16.669 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.175 5.679 15.684 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.482 5.410 17.416 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.287 4.389 16.201 1.00 0.00 H new ATOM 12 N GLU A 2 -11.721 7.319 14.153 1.00 0.00 N ATOM 13 CA GLU A 2 -12.052 7.711 12.743 1.00 0.00 C ATOM 14 C GLU A 2 -10.709 8.042 11.989 1.00 0.00 C ATOM 15 O GLU A 2 -10.204 9.163 11.983 1.00 0.00 O ATOM 16 CB GLU A 2 -13.027 8.908 12.726 1.00 0.00 C ATOM 17 CG GLU A 2 -13.614 9.316 11.360 1.00 0.00 C ATOM 18 CD GLU A 2 -14.721 10.339 11.411 1.00 0.00 C ATOM 19 OE1 GLU A 2 -15.879 10.119 11.680 1.00 0.00 O ATOM 20 OE2 GLU A 2 -14.264 11.486 10.896 1.00 0.00 O ATOM 0 H GLU A 2 -10.789 7.595 14.462 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.553 6.889 12.232 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.856 8.679 13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.510 9.772 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.808 9.708 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.991 8.422 10.864 1.00 0.00 H new ATOM 28 N GLU A 3 -10.047 6.902 11.636 1.00 0.00 N ATOM 29 CA GLU A 3 -8.628 6.788 11.111 1.00 0.00 C ATOM 30 C GLU A 3 -8.433 5.709 10.007 1.00 0.00 C ATOM 31 O GLU A 3 -9.237 4.776 9.848 1.00 0.00 O ATOM 32 CB GLU A 3 -7.695 6.492 12.339 1.00 0.00 C ATOM 33 CG GLU A 3 -7.943 5.144 12.986 1.00 0.00 C ATOM 34 CD GLU A 3 -7.087 4.887 14.228 1.00 0.00 C ATOM 35 OE1 GLU A 3 -6.179 4.066 14.284 1.00 0.00 O ATOM 36 OE2 GLU A 3 -7.482 5.649 15.314 1.00 0.00 O ATOM 0 H GLU A 3 -10.497 5.989 11.708 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.376 7.729 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.656 6.543 12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.834 7.274 13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.995 5.072 13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.750 4.359 12.254 1.00 0.00 H new ATOM 44 N GLY A 4 -7.263 5.860 9.303 1.00 0.00 N ATOM 45 CA GLY A 4 -6.619 4.785 8.594 1.00 0.00 C ATOM 46 C GLY A 4 -6.014 3.715 9.520 1.00 0.00 C ATOM 47 O GLY A 4 -5.842 3.812 10.726 1.00 0.00 O ATOM 0 H GLY A 4 -6.767 6.749 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.343 4.313 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.831 5.197 7.964 1.00 0.00 H new ATOM 51 N GLN A 5 -5.858 2.514 8.890 1.00 0.00 N ATOM 52 CA GLN A 5 -5.486 1.248 9.545 1.00 0.00 C ATOM 53 C GLN A 5 -4.669 0.372 8.496 1.00 0.00 C ATOM 54 O GLN A 5 -5.128 0.168 7.351 1.00 0.00 O ATOM 55 CB GLN A 5 -6.814 0.562 10.046 1.00 0.00 C ATOM 56 CG GLN A 5 -7.674 -0.178 8.989 1.00 0.00 C ATOM 57 CD GLN A 5 -8.989 -0.650 9.549 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.025 -0.005 9.296 1.00 0.00 O ATOM 59 NE2 GLN A 5 -8.954 -1.636 10.507 1.00 0.00 N ATOM 0 H GLN A 5 -5.994 2.410 7.885 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.843 1.387 10.414 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.551 -0.152 10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.435 1.328 10.510 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.859 0.486 8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.117 -1.033 8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.087 -2.143 10.686 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.795 -1.861 11.039 1.00 0.00 H new ATOM 68 N VAL A 6 -3.557 -0.167 9.009 1.00 0.00 N ATOM 69 CA VAL A 6 -2.606 -1.067 8.349 1.00 0.00 C ATOM 70 C VAL A 6 -3.047 -2.488 8.742 1.00 0.00 C ATOM 71 O VAL A 6 -3.188 -2.924 9.867 1.00 0.00 O ATOM 72 CB VAL A 6 -1.105 -0.719 8.752 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.105 -1.628 8.019 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.779 0.745 8.489 1.00 0.00 C ATOM 0 H VAL A 6 -3.278 0.030 9.970 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.614 -0.964 7.264 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.013 -0.899 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.910 -1.365 8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.301 -2.668 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.214 -1.496 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.253 0.945 8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.909 0.962 7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.447 1.377 9.074 1.00 0.00 H new ATOM 84 N ILE A 7 -3.200 -3.300 7.693 1.00 0.00 N ATOM 85 CA ILE A 7 -3.750 -4.718 7.635 1.00 0.00 C ATOM 86 C ILE A 7 -2.602 -5.552 6.876 1.00 0.00 C ATOM 87 O ILE A 7 -2.305 -5.342 5.668 1.00 0.00 O ATOM 88 CB ILE A 7 -5.269 -4.840 7.117 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.203 -5.804 7.958 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.374 -5.175 5.603 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.668 -7.229 7.928 1.00 0.00 C ATOM 0 H ILE A 7 -2.927 -2.983 6.763 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.920 -5.157 8.618 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.654 -3.834 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.262 -5.454 8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.215 -5.781 7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.424 -5.243 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.890 -4.390 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.882 -6.127 5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.323 -7.876 8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.632 -7.583 6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.665 -7.250 8.354 1.00 0.00 H new ATOM 103 N ALA A 8 -2.093 -6.569 7.582 1.00 0.00 N ATOM 104 CA ALA A 8 -1.241 -7.686 7.039 1.00 0.00 C ATOM 105 C ALA A 8 -1.977 -8.490 5.926 1.00 0.00 C ATOM 106 O ALA A 8 -3.206 -8.670 5.885 1.00 0.00 O ATOM 107 CB ALA A 8 -0.776 -8.616 8.153 1.00 0.00 C ATOM 0 H ALA A 8 -2.257 -6.659 8.585 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.363 -7.225 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.163 -9.412 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.188 -8.051 8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.643 -9.051 8.650 1.00 0.00 H new ATOM 113 N CYS A 9 -1.171 -8.974 4.967 1.00 0.00 N ATOM 114 CA CYS A 9 -1.622 -9.617 3.729 1.00 0.00 C ATOM 115 C CYS A 9 -0.593 -10.703 3.180 1.00 0.00 C ATOM 116 O CYS A 9 0.634 -10.459 3.133 1.00 0.00 O ATOM 117 CB CYS A 9 -2.032 -8.505 2.698 1.00 0.00 C ATOM 118 SG CYS A 9 -3.407 -7.487 3.372 1.00 0.00 S ATOM 0 H CYS A 9 -0.155 -8.925 5.038 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.511 -10.214 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.174 -7.870 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.338 -8.965 1.758 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.846 -8.024 4.471 1.00 0.00 H new ATOM 124 N HIS A 10 -1.221 -11.870 2.770 1.00 0.00 N ATOM 125 CA HIS A 10 -0.452 -13.106 2.546 1.00 0.00 C ATOM 126 C HIS A 10 -1.110 -14.036 1.463 1.00 0.00 C ATOM 127 O HIS A 10 -0.445 -14.962 1.052 1.00 0.00 O ATOM 128 CB HIS A 10 -0.173 -14.014 3.753 1.00 0.00 C ATOM 129 CG HIS A 10 0.633 -13.478 4.892 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.999 -13.311 4.908 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.055 -12.655 5.944 1.00 0.00 C ATOM 132 CE1 HIS A 10 2.118 -12.423 5.956 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.995 -11.867 6.559 1.00 0.00 N ATOM 0 H HIS A 10 -2.223 -11.954 2.600 1.00 0.00 H new ATOM 0 HA HIS A 10 0.499 -12.675 2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.135 -14.335 4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.332 -14.906 3.384 1.00 0.00 H new ATOM 0 HD1 HIS A 10 2.718 -13.725 4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.992 -12.664 6.210 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.101 -12.155 6.315 1.00 0.00 H new ATOM 141 N THR A 11 -2.382 -13.875 1.022 1.00 0.00 N ATOM 142 CA THR A 11 -3.286 -14.904 0.420 1.00 0.00 C ATOM 143 C THR A 11 -4.237 -14.238 -0.681 1.00 0.00 C ATOM 144 O THR A 11 -4.102 -13.001 -0.818 1.00 0.00 O ATOM 145 CB THR A 11 -4.020 -15.683 1.552 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.793 -14.788 2.372 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.142 -16.574 2.443 1.00 0.00 C ATOM 0 H THR A 11 -2.840 -12.965 1.078 1.00 0.00 H new ATOM 0 HA THR A 11 -2.714 -15.653 -0.127 1.00 0.00 H new ATOM 0 HB THR A 11 -4.666 -16.375 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.247 -15.298 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.763 -17.064 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.650 -17.329 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.389 -15.962 2.940 1.00 0.00 H new ATOM 155 N VAL A 12 -5.143 -15.016 -1.273 1.00 0.00 N ATOM 156 CA VAL A 12 -6.421 -14.448 -1.879 1.00 0.00 C ATOM 157 C VAL A 12 -7.355 -13.588 -0.944 1.00 0.00 C ATOM 158 O VAL A 12 -8.190 -12.815 -1.482 1.00 0.00 O ATOM 159 CB VAL A 12 -7.216 -15.661 -2.539 1.00 0.00 C ATOM 160 CG1 VAL A 12 -8.009 -16.605 -1.609 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.187 -15.202 -3.593 1.00 0.00 C ATOM 0 H VAL A 12 -5.050 -16.028 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.101 -13.704 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.381 -16.237 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.495 -17.378 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.328 -17.070 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.765 -16.034 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.704 -16.065 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.915 -14.525 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.646 -14.683 -4.384 1.00 0.00 H new ATOM 171 N ASP A 13 -7.240 -13.652 0.396 1.00 0.00 N ATOM 172 CA ASP A 13 -7.867 -12.712 1.320 1.00 0.00 C ATOM 173 C ASP A 13 -7.601 -11.146 1.035 1.00 0.00 C ATOM 174 O ASP A 13 -8.481 -10.349 1.054 1.00 0.00 O ATOM 175 CB ASP A 13 -7.543 -13.008 2.766 1.00 0.00 C ATOM 176 CG ASP A 13 -7.960 -14.376 3.417 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.870 -15.454 2.870 1.00 0.00 O ATOM 178 OD2 ASP A 13 -8.541 -14.134 4.688 1.00 0.00 O ATOM 0 H ASP A 13 -6.697 -14.375 0.867 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.926 -12.883 1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.463 -12.915 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.995 -12.217 3.365 1.00 0.00 H new ATOM 184 N THR A 14 -6.343 -10.757 0.675 1.00 0.00 N ATOM 185 CA THR A 14 -6.005 -9.461 0.087 1.00 0.00 C ATOM 186 C THR A 14 -6.639 -9.140 -1.295 1.00 0.00 C ATOM 187 O THR A 14 -7.109 -8.040 -1.596 1.00 0.00 O ATOM 188 CB THR A 14 -4.433 -9.130 0.146 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.297 -7.676 0.291 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.627 -9.584 -1.084 1.00 0.00 C ATOM 0 H THR A 14 -5.530 -11.362 0.795 1.00 0.00 H new ATOM 0 HA THR A 14 -6.507 -8.760 0.754 1.00 0.00 H new ATOM 0 HB THR A 14 -4.021 -9.689 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.118 -7.456 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.579 -9.317 -0.951 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.714 -10.665 -1.198 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.016 -9.093 -1.976 1.00 0.00 H new ATOM 198 N TRP A 15 -6.734 -10.130 -2.167 1.00 0.00 N ATOM 199 CA TRP A 15 -7.416 -10.009 -3.473 1.00 0.00 C ATOM 200 C TRP A 15 -8.879 -9.448 -3.397 1.00 0.00 C ATOM 201 O TRP A 15 -9.183 -8.441 -4.020 1.00 0.00 O ATOM 202 CB TRP A 15 -7.561 -11.342 -4.312 1.00 0.00 C ATOM 203 CG TRP A 15 -6.487 -11.442 -5.378 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.166 -12.006 -5.264 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.590 -10.944 -6.695 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.453 -11.990 -6.478 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.363 -11.353 -7.390 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.669 -10.289 -7.455 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.211 -10.992 -8.768 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.421 -10.034 -8.797 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.269 -10.335 -9.420 1.00 0.00 C ATOM 0 H TRP A 15 -6.340 -11.056 -1.999 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.730 -9.318 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.496 -12.202 -3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.545 -11.374 -4.780 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.764 -12.400 -4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.515 -12.345 -6.665 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.607 -10.020 -6.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.298 -11.221 -9.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.202 -9.565 -9.376 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.152 -10.062 -10.458 1.00 0.00 H new ATOM 222 N LYS A 16 -9.665 -10.065 -2.494 1.00 0.00 N ATOM 223 CA LYS A 16 -10.946 -9.493 -2.047 1.00 0.00 C ATOM 224 C LYS A 16 -10.887 -8.068 -1.391 1.00 0.00 C ATOM 225 O LYS A 16 -11.712 -7.190 -1.704 1.00 0.00 O ATOM 226 CB LYS A 16 -11.701 -10.459 -1.088 1.00 0.00 C ATOM 227 CG LYS A 16 -12.152 -11.824 -1.738 1.00 0.00 C ATOM 228 CD LYS A 16 -12.916 -12.701 -0.808 1.00 0.00 C ATOM 229 CE LYS A 16 -11.943 -13.390 0.192 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.691 -14.367 0.924 1.00 0.00 N ATOM 0 H LYS A 16 -9.434 -10.959 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.488 -9.363 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.059 -10.675 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.583 -9.948 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.766 -11.615 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.270 -12.360 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.654 -12.112 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.464 -13.455 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.117 -13.861 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.507 -12.655 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.065 -14.846 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.465 -13.899 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.087 -15.067 0.264 1.00 0.00 H new ATOM 243 N GLU A 17 -9.971 -7.863 -0.460 1.00 0.00 N ATOM 244 CA GLU A 17 -9.685 -6.543 0.199 1.00 0.00 C ATOM 245 C GLU A 17 -9.254 -5.301 -0.746 1.00 0.00 C ATOM 246 O GLU A 17 -9.975 -4.277 -0.907 1.00 0.00 O ATOM 247 CB GLU A 17 -8.772 -6.821 1.454 1.00 0.00 C ATOM 248 CG GLU A 17 -9.534 -7.437 2.606 1.00 0.00 C ATOM 249 CD GLU A 17 -8.643 -7.797 3.808 1.00 0.00 C ATOM 250 OE1 GLU A 17 -8.347 -7.062 4.715 1.00 0.00 O ATOM 251 OE2 GLU A 17 -8.167 -9.096 3.710 1.00 0.00 O ATOM 0 H GLU A 17 -9.374 -8.614 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.637 -6.125 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.958 -7.486 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.319 -5.886 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.308 -6.742 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.040 -8.337 2.257 1.00 0.00 H new ATOM 259 N HIS A 18 -8.117 -5.421 -1.375 1.00 0.00 N ATOM 260 CA HIS A 18 -7.615 -4.428 -2.366 1.00 0.00 C ATOM 261 C HIS A 18 -8.620 -3.928 -3.493 1.00 0.00 C ATOM 262 O HIS A 18 -9.068 -2.774 -3.556 1.00 0.00 O ATOM 263 CB HIS A 18 -6.298 -5.114 -2.938 1.00 0.00 C ATOM 264 CG HIS A 18 -5.523 -4.356 -3.941 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.656 -4.453 -5.366 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.488 -3.320 -3.755 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.675 -3.586 -5.807 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.966 -2.783 -4.940 1.00 0.00 N ATOM 0 H HIS A 18 -7.485 -6.209 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.443 -3.471 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.639 -5.334 -2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.580 -6.070 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.157 -2.999 -2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.457 -3.536 -6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.285 -2.042 -5.106 1.00 0.00 H new ATOM 276 N PHE A 19 -8.998 -4.922 -4.340 1.00 0.00 N ATOM 277 CA PHE A 19 -9.914 -4.691 -5.468 1.00 0.00 C ATOM 278 C PHE A 19 -11.367 -4.015 -5.228 1.00 0.00 C ATOM 279 O PHE A 19 -11.733 -2.947 -5.701 1.00 0.00 O ATOM 280 CB PHE A 19 -9.945 -5.972 -6.315 1.00 0.00 C ATOM 281 CG PHE A 19 -9.962 -5.682 -7.836 1.00 0.00 C ATOM 282 CD1 PHE A 19 -8.843 -5.241 -8.509 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.079 -6.190 -8.501 1.00 0.00 C ATOM 284 CE1 PHE A 19 -8.852 -5.265 -9.891 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.101 -6.111 -9.891 1.00 0.00 C ATOM 286 CZ PHE A 19 -9.960 -5.649 -10.579 1.00 0.00 C ATOM 0 H PHE A 19 -8.678 -5.887 -4.255 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.481 -3.846 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.074 -6.582 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.826 -6.556 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.978 -4.885 -7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.900 -6.630 -7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.964 -4.974 -10.433 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.986 -6.401 -10.438 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.966 -5.600 -11.658 1.00 0.00 H new ATOM 296 N GLU A 20 -12.121 -4.707 -4.404 1.00 0.00 N ATOM 297 CA GLU A 20 -13.443 -4.212 -3.908 1.00 0.00 C ATOM 298 C GLU A 20 -13.434 -2.865 -3.125 1.00 0.00 C ATOM 299 O GLU A 20 -14.415 -2.116 -3.312 1.00 0.00 O ATOM 300 CB GLU A 20 -14.215 -5.323 -3.077 1.00 0.00 C ATOM 301 CG GLU A 20 -14.340 -6.744 -3.609 1.00 0.00 C ATOM 302 CD GLU A 20 -14.993 -6.847 -4.939 1.00 0.00 C ATOM 303 OE1 GLU A 20 -14.339 -6.753 -6.012 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.286 -7.176 -4.923 1.00 0.00 O ATOM 0 H GLU A 20 -11.863 -5.626 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.979 -3.991 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.733 -5.387 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.226 -4.953 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.345 -7.184 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.907 -7.338 -2.893 1.00 0.00 H new ATOM 312 N LYS A 21 -12.490 -2.573 -2.208 1.00 0.00 N ATOM 313 CA LYS A 21 -12.304 -1.271 -1.585 1.00 0.00 C ATOM 314 C LYS A 21 -11.908 -0.167 -2.640 1.00 0.00 C ATOM 315 O LYS A 21 -12.556 0.869 -2.796 1.00 0.00 O ATOM 316 CB LYS A 21 -11.360 -1.344 -0.354 1.00 0.00 C ATOM 317 CG LYS A 21 -11.797 -2.167 0.851 1.00 0.00 C ATOM 318 CD LYS A 21 -13.191 -1.817 1.450 1.00 0.00 C ATOM 319 CE LYS A 21 -13.486 -2.489 2.804 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.599 -1.858 3.847 1.00 0.00 N ATOM 0 H LYS A 21 -11.820 -3.268 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.266 -0.953 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.402 -1.738 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.182 -0.324 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.801 -3.219 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.048 -2.052 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.260 -0.736 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.963 -2.108 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.535 -2.362 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.299 -3.561 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.938 -2.119 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.623 -2.196 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.623 -0.823 3.743 1.00 0.00 H new ATOM 333 N GLY A 22 -10.770 -0.347 -3.259 1.00 0.00 N ATOM 334 CA GLY A 22 -10.192 0.610 -4.269 1.00 0.00 C ATOM 335 C GLY A 22 -11.162 1.038 -5.425 1.00 0.00 C ATOM 336 O GLY A 22 -11.774 2.137 -5.336 1.00 0.00 O ATOM 0 H GLY A 22 -10.181 -1.164 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.860 1.507 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.307 0.153 -4.711 1.00 0.00 H new ATOM 340 N LYS A 23 -11.332 0.082 -6.360 1.00 0.00 N ATOM 341 CA LYS A 23 -12.445 0.005 -7.343 1.00 0.00 C ATOM 342 C LYS A 23 -13.717 -0.611 -6.551 1.00 0.00 C ATOM 343 O LYS A 23 -14.089 -1.784 -6.594 1.00 0.00 O ATOM 344 CB LYS A 23 -12.008 -0.849 -8.519 1.00 0.00 C ATOM 345 CG LYS A 23 -12.977 -0.659 -9.739 1.00 0.00 C ATOM 346 CD LYS A 23 -13.187 -1.936 -10.634 1.00 0.00 C ATOM 347 CE LYS A 23 -11.910 -2.320 -11.449 1.00 0.00 C ATOM 348 NZ LYS A 23 -11.793 -1.389 -12.610 1.00 0.00 N ATOM 0 H LYS A 23 -10.674 -0.691 -6.460 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.719 0.977 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.992 -0.581 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.989 -1.898 -8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.948 -0.334 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.592 0.145 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.474 -2.775 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.013 -1.760 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.023 -2.253 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.977 -3.351 -11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.956 -1.641 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.645 -1.463 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.696 -0.413 -12.264 1.00 0.00 H new ATOM 361 N GLY A 24 -14.457 0.334 -6.032 1.00 0.00 N ATOM 362 CA GLY A 24 -15.840 0.105 -5.591 1.00 0.00 C ATOM 363 C GLY A 24 -16.479 1.037 -4.552 1.00 0.00 C ATOM 364 O GLY A 24 -17.754 1.240 -4.480 1.00 0.00 O ATOM 0 H GLY A 24 -14.132 1.291 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.471 0.128 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.889 -0.908 -5.191 1.00 0.00 H new ATOM 368 N SER A 25 -15.552 1.543 -3.732 1.00 0.00 N ATOM 369 CA SER A 25 -15.756 2.443 -2.550 1.00 0.00 C ATOM 370 C SER A 25 -14.994 3.727 -2.857 1.00 0.00 C ATOM 371 O SER A 25 -13.776 3.770 -3.215 1.00 0.00 O ATOM 372 CB SER A 25 -15.280 1.766 -1.200 1.00 0.00 C ATOM 373 OG SER A 25 -16.120 0.614 -0.868 1.00 0.00 O ATOM 0 H SER A 25 -14.564 1.331 -3.871 1.00 0.00 H new ATOM 0 HA SER A 25 -16.814 2.652 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.242 1.449 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.318 2.494 -0.390 1.00 0.00 H new ATOM 0 HG SER A 25 -15.807 0.211 -0.032 1.00 0.00 H new ATOM 379 N GLN A 26 -15.688 4.835 -2.498 1.00 0.00 N ATOM 380 CA GLN A 26 -15.148 6.194 -2.459 1.00 0.00 C ATOM 381 C GLN A 26 -13.985 6.434 -1.398 1.00 0.00 C ATOM 382 O GLN A 26 -14.171 7.093 -0.400 1.00 0.00 O ATOM 383 CB GLN A 26 -16.278 7.195 -2.527 1.00 0.00 C ATOM 384 CG GLN A 26 -16.998 7.335 -3.923 1.00 0.00 C ATOM 385 CD GLN A 26 -17.871 6.202 -4.501 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.122 6.224 -4.420 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.282 5.291 -5.307 1.00 0.00 N ATOM 0 H GLN A 26 -16.669 4.794 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.562 6.370 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.025 6.921 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.888 8.172 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.629 8.222 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.222 7.543 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.265 5.260 -5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.854 4.635 -5.838 1.00 0.00 H new ATOM 396 N LYS A 27 -12.825 5.936 -1.728 1.00 0.00 N ATOM 397 CA LYS A 27 -11.593 5.930 -0.893 1.00 0.00 C ATOM 398 C LYS A 27 -10.345 5.758 -1.790 1.00 0.00 C ATOM 399 O LYS A 27 -10.367 5.052 -2.854 1.00 0.00 O ATOM 400 CB LYS A 27 -11.702 5.023 0.367 1.00 0.00 C ATOM 401 CG LYS A 27 -11.636 3.522 0.085 1.00 0.00 C ATOM 402 CD LYS A 27 -11.872 2.659 1.297 1.00 0.00 C ATOM 403 CE LYS A 27 -13.181 2.812 2.063 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.285 1.724 3.011 1.00 0.00 N ATOM 0 H LYS A 27 -12.676 5.491 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.465 6.906 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.899 5.284 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.641 5.242 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.376 3.273 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.658 3.284 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.794 1.619 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.057 2.842 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.207 3.771 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.027 2.798 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.165 1.197 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.471 1.086 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.294 2.106 3.978 1.00 0.00 H new ATOM 417 N LEU A 28 -9.229 6.254 -1.295 1.00 0.00 N ATOM 418 CA LEU A 28 -7.886 5.898 -1.705 1.00 0.00 C ATOM 419 C LEU A 28 -7.491 4.657 -0.881 1.00 0.00 C ATOM 420 O LEU A 28 -7.937 4.387 0.243 1.00 0.00 O ATOM 421 CB LEU A 28 -6.915 7.123 -1.513 1.00 0.00 C ATOM 422 CG LEU A 28 -5.426 7.020 -2.035 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.389 6.955 -3.571 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.585 8.149 -1.361 1.00 0.00 C ATOM 0 H LEU A 28 -9.236 6.955 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.825 5.652 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.374 7.984 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.874 7.344 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.951 6.085 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.355 6.885 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.942 6.079 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.844 7.855 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.554 8.093 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.004 9.121 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.609 8.023 -0.279 1.00 0.00 H new ATOM 436 N ILE A 29 -6.567 3.836 -1.450 1.00 0.00 N ATOM 437 CA ILE A 29 -6.027 2.606 -0.855 1.00 0.00 C ATOM 438 C ILE A 29 -4.553 2.551 -1.464 1.00 0.00 C ATOM 439 O ILE A 29 -4.212 2.935 -2.598 1.00 0.00 O ATOM 440 CB ILE A 29 -6.937 1.286 -1.124 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.822 0.690 -2.565 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.434 1.461 -0.834 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.587 -0.823 -2.521 1.00 0.00 C ATOM 0 H ILE A 29 -6.170 4.030 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.023 2.617 0.235 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.502 0.594 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.734 0.903 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.002 1.173 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.957 0.528 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.573 1.728 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.837 2.252 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.511 -1.209 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.662 -1.032 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.420 -1.306 -2.011 1.00 0.00 H new ATOM 455 N VAL A 30 -3.668 2.194 -0.520 1.00 0.00 N ATOM 456 CA VAL A 30 -2.190 2.398 -0.613 1.00 0.00 C ATOM 457 C VAL A 30 -1.546 1.091 -0.052 1.00 0.00 C ATOM 458 O VAL A 30 -1.815 0.710 1.100 1.00 0.00 O ATOM 459 CB VAL A 30 -1.649 3.702 -0.008 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.081 3.873 0.018 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.311 4.946 -0.658 1.00 0.00 C ATOM 0 H VAL A 30 -3.952 1.746 0.351 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.904 2.557 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.933 3.622 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.173 4.833 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.363 3.068 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.306 3.836 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.905 5.852 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.105 4.950 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.388 4.911 -0.496 1.00 0.00 H new ATOM 471 N VAL A 31 -0.561 0.504 -0.774 1.00 0.00 N ATOM 472 CA VAL A 31 -0.193 -0.917 -0.629 1.00 0.00 C ATOM 473 C VAL A 31 1.312 -1.183 -0.956 1.00 0.00 C ATOM 474 O VAL A 31 1.794 -1.077 -2.102 1.00 0.00 O ATOM 475 CB VAL A 31 -1.137 -1.925 -1.391 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.453 -1.447 -2.835 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.741 -3.419 -1.367 1.00 0.00 C ATOM 0 H VAL A 31 -0.005 1.003 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.347 -1.123 0.430 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.046 -1.897 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.106 -2.171 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.950 -0.478 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.525 -1.357 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.474 -3.999 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.242 -3.542 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.712 -3.771 -0.336 1.00 0.00 H new ATOM 487 N ASP A 32 2.029 -1.572 0.091 1.00 0.00 N ATOM 488 CA ASP A 32 3.397 -2.069 0.145 1.00 0.00 C ATOM 489 C ASP A 32 3.511 -3.553 -0.316 1.00 0.00 C ATOM 490 O ASP A 32 2.781 -4.456 0.039 1.00 0.00 O ATOM 491 CB ASP A 32 3.986 -2.081 1.569 1.00 0.00 C ATOM 492 CG ASP A 32 5.526 -1.899 1.683 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.145 -1.896 2.748 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.128 -1.718 0.488 1.00 0.00 O ATOM 0 H ASP A 32 1.620 -1.543 1.025 1.00 0.00 H new ATOM 0 HA ASP A 32 3.933 -1.383 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.505 -1.290 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.718 -3.026 2.041 1.00 0.00 H new ATOM 500 N PHE A 33 4.571 -3.676 -1.207 1.00 0.00 N ATOM 501 CA PHE A 33 5.149 -4.875 -1.733 1.00 0.00 C ATOM 502 C PHE A 33 6.577 -4.892 -1.136 1.00 0.00 C ATOM 503 O PHE A 33 7.404 -4.012 -1.548 1.00 0.00 O ATOM 504 CB PHE A 33 5.180 -4.839 -3.323 1.00 0.00 C ATOM 505 CG PHE A 33 3.746 -5.015 -3.800 1.00 0.00 C ATOM 506 CD1 PHE A 33 3.095 -6.238 -3.918 1.00 0.00 C ATOM 507 CD2 PHE A 33 3.019 -3.843 -3.969 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.688 -6.317 -4.186 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.615 -3.917 -4.117 1.00 0.00 C ATOM 510 CZ PHE A 33 0.984 -5.127 -4.317 1.00 0.00 C ATOM 0 H PHE A 33 5.041 -2.847 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 33 4.582 -5.769 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.592 -3.895 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.817 -5.632 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.662 -7.150 -3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.521 -2.887 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.192 -7.271 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.027 -3.012 -4.073 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.064 -5.149 -4.577 1.00 0.00 H new ATOM 520 N THR A 34 6.769 -5.829 -0.237 1.00 0.00 N ATOM 521 CA THR A 34 7.985 -5.958 0.636 1.00 0.00 C ATOM 522 C THR A 34 7.973 -7.481 0.922 1.00 0.00 C ATOM 523 O THR A 34 7.030 -8.087 1.445 1.00 0.00 O ATOM 524 CB THR A 34 7.923 -4.996 1.843 1.00 0.00 C ATOM 525 OG1 THR A 34 9.156 -5.036 2.507 1.00 0.00 O ATOM 526 CG2 THR A 34 6.786 -5.317 2.855 1.00 0.00 C ATOM 0 H THR A 34 6.081 -6.561 -0.063 1.00 0.00 H new ATOM 0 HA THR A 34 8.940 -5.653 0.207 1.00 0.00 H new ATOM 0 HB THR A 34 7.704 -4.005 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.371 -5.963 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.812 -4.596 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.822 -5.259 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.927 -6.322 3.254 1.00 0.00 H new ATOM 534 N ALA A 35 9.195 -7.968 0.804 1.00 0.00 N ATOM 535 CA ALA A 35 9.605 -9.073 1.538 1.00 0.00 C ATOM 536 C ALA A 35 9.883 -8.854 3.020 1.00 0.00 C ATOM 537 O ALA A 35 10.204 -7.724 3.358 1.00 0.00 O ATOM 538 CB ALA A 35 10.887 -9.474 0.764 1.00 0.00 C ATOM 0 H ALA A 35 9.908 -7.582 0.185 1.00 0.00 H new ATOM 0 HA ALA A 35 8.817 -9.824 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.336 -10.350 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.630 -9.707 -0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.598 -8.648 0.784 1.00 0.00 H new ATOM 544 N SER A 36 9.746 -9.931 3.850 1.00 0.00 N ATOM 545 CA SER A 36 10.332 -9.960 5.222 1.00 0.00 C ATOM 546 C SER A 36 11.833 -9.695 5.299 1.00 0.00 C ATOM 547 O SER A 36 12.291 -8.897 6.128 1.00 0.00 O ATOM 548 CB SER A 36 9.974 -11.284 5.984 1.00 0.00 C ATOM 549 OG SER A 36 10.402 -11.334 7.353 1.00 0.00 O ATOM 0 H SER A 36 9.241 -10.780 3.595 1.00 0.00 H new ATOM 0 HA SER A 36 9.860 -9.113 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.893 -11.422 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.418 -12.124 5.450 1.00 0.00 H new ATOM 0 HG SER A 36 10.136 -12.191 7.748 1.00 0.00 H new ATOM 555 N TRP A 37 12.629 -10.320 4.385 1.00 0.00 N ATOM 556 CA TRP A 37 14.082 -9.977 4.073 1.00 0.00 C ATOM 557 C TRP A 37 14.347 -8.508 3.484 1.00 0.00 C ATOM 558 O TRP A 37 15.035 -8.171 2.497 1.00 0.00 O ATOM 559 CB TRP A 37 14.852 -11.190 3.386 1.00 0.00 C ATOM 560 CG TRP A 37 14.382 -11.813 2.048 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.297 -12.740 1.950 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.655 -11.404 0.766 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.960 -12.952 0.602 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.828 -12.161 -0.090 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.655 -10.497 0.297 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.031 -12.038 -1.419 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.791 -10.335 -1.039 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.976 -11.117 -1.909 1.00 0.00 C ATOM 0 H TRP A 37 12.286 -11.098 3.821 1.00 0.00 H new ATOM 0 HA TRP A 37 14.576 -9.861 5.038 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.881 -10.863 3.235 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.878 -11.999 4.116 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.807 -13.209 2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.232 -13.560 0.227 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.284 -9.957 0.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.467 -12.648 -2.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.503 -9.628 -1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.087 -10.999 -2.977 1.00 0.00 H new ATOM 579 N CYS A 38 13.925 -7.518 4.323 1.00 0.00 N ATOM 580 CA CYS A 38 14.041 -6.051 4.104 1.00 0.00 C ATOM 581 C CYS A 38 14.069 -5.322 5.480 1.00 0.00 C ATOM 582 O CYS A 38 13.000 -4.850 5.929 1.00 0.00 O ATOM 583 CB CYS A 38 12.912 -5.612 3.098 1.00 0.00 C ATOM 584 SG CYS A 38 13.193 -3.801 2.737 1.00 0.00 S ATOM 0 H CYS A 38 13.474 -7.735 5.212 1.00 0.00 H new ATOM 0 HA CYS A 38 14.979 -5.762 3.631 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.959 -6.201 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.924 -5.772 3.530 1.00 0.00 H new ATOM 0 HG CYS A 38 12.048 -3.211 2.560 1.00 0.00 H new ATOM 590 N PRO A 39 15.207 -5.227 6.230 1.00 0.00 N ATOM 591 CA PRO A 39 15.388 -4.237 7.298 1.00 0.00 C ATOM 592 C PRO A 39 15.025 -2.675 7.076 1.00 0.00 C ATOM 593 O PRO A 39 14.412 -2.059 7.944 1.00 0.00 O ATOM 594 CB PRO A 39 16.828 -4.325 7.879 1.00 0.00 C ATOM 595 CG PRO A 39 17.243 -5.670 7.276 1.00 0.00 C ATOM 596 CD PRO A 39 16.469 -5.874 5.953 1.00 0.00 C ATOM 0 HA PRO A 39 14.594 -4.558 7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.465 -3.502 7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.844 -4.329 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.317 -5.688 7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.025 -6.480 7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.983 -5.417 5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.341 -6.930 5.716 1.00 0.00 H new ATOM 604 N PRO A 40 15.244 -2.069 5.868 1.00 0.00 N ATOM 605 CA PRO A 40 14.578 -0.845 5.408 1.00 0.00 C ATOM 606 C PRO A 40 12.997 -0.747 5.399 1.00 0.00 C ATOM 607 O PRO A 40 12.407 0.284 5.709 1.00 0.00 O ATOM 608 CB PRO A 40 15.146 -0.696 3.962 1.00 0.00 C ATOM 609 CG PRO A 40 16.540 -1.339 4.038 1.00 0.00 C ATOM 610 CD PRO A 40 16.224 -2.567 4.867 1.00 0.00 C ATOM 0 HA PRO A 40 14.788 -0.056 6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.514 -1.201 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.206 0.351 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.936 -1.592 3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.272 -0.690 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.803 -3.366 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.117 -2.969 5.345 1.00 0.00 H new ATOM 618 N CYS A 41 12.337 -1.838 5.066 1.00 0.00 N ATOM 619 CA CYS A 41 10.924 -2.088 5.342 1.00 0.00 C ATOM 620 C CYS A 41 10.458 -2.471 6.816 1.00 0.00 C ATOM 621 O CYS A 41 9.298 -2.204 7.169 1.00 0.00 O ATOM 622 CB CYS A 41 10.203 -2.839 4.233 1.00 0.00 C ATOM 623 SG CYS A 41 10.232 -1.872 2.717 1.00 0.00 S ATOM 0 H CYS A 41 12.784 -2.612 4.574 1.00 0.00 H new ATOM 0 HA CYS A 41 10.559 -1.061 5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.680 -3.805 4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.173 -3.038 4.528 1.00 0.00 H new ATOM 0 HG CYS A 41 9.808 -2.602 1.728 1.00 0.00 H new ATOM 629 N LYS A 42 11.309 -3.087 7.588 1.00 0.00 N ATOM 630 CA LYS A 42 11.095 -3.233 9.044 1.00 0.00 C ATOM 631 C LYS A 42 10.980 -1.876 9.830 1.00 0.00 C ATOM 632 O LYS A 42 10.169 -1.780 10.752 1.00 0.00 O ATOM 633 CB LYS A 42 12.012 -4.303 9.680 1.00 0.00 C ATOM 634 CG LYS A 42 11.657 -4.509 11.182 1.00 0.00 C ATOM 635 CD LYS A 42 12.389 -5.679 11.805 1.00 0.00 C ATOM 636 CE LYS A 42 11.861 -5.971 13.255 1.00 0.00 C ATOM 637 NZ LYS A 42 10.659 -6.853 13.246 1.00 0.00 N ATOM 0 H LYS A 42 12.174 -3.509 7.250 1.00 0.00 H new ATOM 0 HA LYS A 42 10.090 -3.641 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.906 -5.246 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.054 -3.998 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.897 -3.601 11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.583 -4.666 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.261 -6.565 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.457 -5.466 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.651 -6.441 13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.616 -5.030 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.344 -7.020 14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.896 -6.394 12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.898 -7.761 12.799 1.00 0.00 H new ATOM 650 N MET A 43 11.786 -0.816 9.499 1.00 0.00 N ATOM 651 CA MET A 43 11.398 0.657 9.751 1.00 0.00 C ATOM 652 C MET A 43 10.082 1.254 9.052 1.00 0.00 C ATOM 653 O MET A 43 9.242 1.894 9.687 1.00 0.00 O ATOM 654 CB MET A 43 12.541 1.697 9.768 1.00 0.00 C ATOM 655 CG MET A 43 13.276 2.005 8.437 1.00 0.00 C ATOM 656 SD MET A 43 14.583 3.265 8.663 1.00 0.00 S ATOM 657 CE MET A 43 14.785 4.188 7.115 1.00 0.00 C ATOM 0 H MET A 43 12.701 -0.928 9.062 1.00 0.00 H new ATOM 0 HA MET A 43 11.097 0.497 10.786 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.132 2.634 10.146 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.286 1.360 10.489 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.717 1.089 8.044 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.557 2.355 7.697 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.562 4.942 7.240 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.069 3.502 6.317 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.845 4.675 6.857 1.00 0.00 H new ATOM 667 N ILE A 44 9.927 1.021 7.743 1.00 0.00 N ATOM 668 CA ILE A 44 8.793 1.435 6.881 1.00 0.00 C ATOM 669 C ILE A 44 7.299 1.081 7.221 1.00 0.00 C ATOM 670 O ILE A 44 6.377 1.958 7.055 1.00 0.00 O ATOM 671 CB ILE A 44 9.015 1.482 5.325 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.552 2.873 4.679 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.433 0.253 4.650 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.464 4.049 5.053 1.00 0.00 C ATOM 0 H ILE A 44 10.631 0.505 7.215 1.00 0.00 H new ATOM 0 HA ILE A 44 8.887 2.441 7.289 1.00 0.00 H new ATOM 0 HB ILE A 44 10.088 1.444 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.528 2.772 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.535 3.094 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.602 0.314 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.917 -0.641 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.362 0.203 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.094 4.960 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.469 4.176 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.478 3.848 4.707 1.00 0.00 H new ATOM 686 N ALA A 45 7.016 -0.194 7.670 1.00 0.00 N ATOM 687 CA ALA A 45 5.716 -0.582 8.283 1.00 0.00 C ATOM 688 C ALA A 45 5.338 0.259 9.512 1.00 0.00 C ATOM 689 O ALA A 45 4.212 0.822 9.527 1.00 0.00 O ATOM 690 CB ALA A 45 5.621 -2.122 8.487 1.00 0.00 C ATOM 0 H ALA A 45 7.683 -0.963 7.612 1.00 0.00 H new ATOM 0 HA ALA A 45 4.934 -0.331 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.660 -2.371 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.712 -2.623 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.425 -2.452 9.145 1.00 0.00 H new ATOM 696 N PRO A 46 6.155 0.422 10.572 1.00 0.00 N ATOM 697 CA PRO A 46 6.008 1.523 11.566 1.00 0.00 C ATOM 698 C PRO A 46 5.779 3.004 11.109 1.00 0.00 C ATOM 699 O PRO A 46 4.882 3.691 11.635 1.00 0.00 O ATOM 700 CB PRO A 46 7.238 1.340 12.498 1.00 0.00 C ATOM 701 CG PRO A 46 7.778 -0.021 12.212 1.00 0.00 C ATOM 702 CD PRO A 46 7.299 -0.358 10.836 1.00 0.00 C ATOM 0 HA PRO A 46 5.032 1.406 12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.990 2.105 12.305 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.950 1.432 13.545 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.867 -0.030 12.262 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.419 -0.747 12.942 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.077 -0.155 10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.062 -1.419 10.764 1.00 0.00 H new ATOM 710 N ILE A 47 6.458 3.544 10.066 1.00 0.00 N ATOM 711 CA ILE A 47 6.116 4.815 9.322 1.00 0.00 C ATOM 712 C ILE A 47 4.713 4.806 8.692 1.00 0.00 C ATOM 713 O ILE A 47 3.878 5.648 9.092 1.00 0.00 O ATOM 714 CB ILE A 47 7.291 5.139 8.383 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.643 5.362 9.128 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.033 6.343 7.453 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.674 6.508 10.106 1.00 0.00 C ATOM 0 H ILE A 47 7.296 3.099 9.693 1.00 0.00 H new ATOM 0 HA ILE A 47 6.014 5.650 10.015 1.00 0.00 H new ATOM 0 HB ILE A 47 7.372 4.241 7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.896 4.446 9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.423 5.523 8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.906 6.509 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.165 6.139 6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.845 7.233 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.661 6.569 10.564 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.459 7.439 9.582 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.924 6.346 10.880 1.00 0.00 H new ATOM 729 N PHE A 48 4.432 3.883 7.791 1.00 0.00 N ATOM 730 CA PHE A 48 3.067 3.594 7.291 1.00 0.00 C ATOM 731 C PHE A 48 1.932 3.495 8.348 1.00 0.00 C ATOM 732 O PHE A 48 0.778 3.773 8.020 1.00 0.00 O ATOM 733 CB PHE A 48 3.309 2.207 6.542 1.00 0.00 C ATOM 734 CG PHE A 48 2.252 1.784 5.491 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.345 2.377 4.252 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.457 0.656 5.724 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.705 1.726 3.175 1.00 0.00 C ATOM 738 CE2 PHE A 48 0.864 0.017 4.661 1.00 0.00 C ATOM 739 CZ PHE A 48 0.958 0.571 3.364 1.00 0.00 C ATOM 0 H PHE A 48 5.148 3.293 7.367 1.00 0.00 H new ATOM 0 HA PHE A 48 2.687 4.414 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.279 2.253 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.372 1.421 7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.885 3.301 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.311 0.291 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.799 2.136 2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.327 -0.907 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.455 0.102 2.531 1.00 0.00 H new ATOM 749 N ALA A 49 2.144 3.019 9.556 1.00 0.00 N ATOM 750 CA ALA A 49 1.245 3.117 10.710 1.00 0.00 C ATOM 751 C ALA A 49 1.051 4.581 11.291 1.00 0.00 C ATOM 752 O ALA A 49 -0.065 5.018 11.513 1.00 0.00 O ATOM 753 CB ALA A 49 1.846 2.075 11.691 1.00 0.00 C ATOM 0 H ALA A 49 3.003 2.518 9.784 1.00 0.00 H new ATOM 0 HA ALA A 49 0.207 2.899 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.254 2.053 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.833 1.089 11.227 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.873 2.350 11.930 1.00 0.00 H new ATOM 759 N GLU A 50 2.145 5.243 11.566 1.00 0.00 N ATOM 760 CA GLU A 50 2.110 6.713 11.944 1.00 0.00 C ATOM 761 C GLU A 50 1.409 7.643 10.945 1.00 0.00 C ATOM 762 O GLU A 50 0.386 8.219 11.363 1.00 0.00 O ATOM 763 CB GLU A 50 3.581 7.120 12.277 1.00 0.00 C ATOM 764 CG GLU A 50 3.778 8.434 13.066 1.00 0.00 C ATOM 765 CD GLU A 50 3.665 9.725 12.252 1.00 0.00 C ATOM 766 OE1 GLU A 50 4.551 10.247 11.616 1.00 0.00 O ATOM 767 OE2 GLU A 50 2.389 10.241 12.372 1.00 0.00 O ATOM 0 H GLU A 50 3.079 4.834 11.548 1.00 0.00 H new ATOM 0 HA GLU A 50 1.467 6.842 12.814 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.037 6.310 12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.132 7.200 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.041 8.467 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.761 8.409 13.537 1.00 0.00 H new ATOM 775 N LEU A 51 1.762 7.589 9.572 1.00 0.00 N ATOM 776 CA LEU A 51 1.004 8.120 8.485 1.00 0.00 C ATOM 777 C LEU A 51 -0.544 7.604 8.376 1.00 0.00 C ATOM 778 O LEU A 51 -1.422 8.415 8.114 1.00 0.00 O ATOM 779 CB LEU A 51 1.887 7.811 7.187 1.00 0.00 C ATOM 780 CG LEU A 51 1.408 7.966 5.729 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.896 6.613 5.200 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.578 9.221 5.485 1.00 0.00 C ATOM 0 H LEU A 51 2.625 7.144 9.259 1.00 0.00 H new ATOM 0 HA LEU A 51 0.839 9.188 8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.777 8.434 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.211 6.775 7.286 1.00 0.00 H new ATOM 0 HG LEU A 51 2.248 8.197 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.559 6.729 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.701 5.879 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.065 6.272 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.278 9.261 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.310 9.198 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.172 10.103 5.726 1.00 0.00 H new ATOM 794 N ALA A 52 -0.878 6.296 8.536 1.00 0.00 N ATOM 795 CA ALA A 52 -2.305 5.814 8.618 1.00 0.00 C ATOM 796 C ALA A 52 -3.229 6.499 9.754 1.00 0.00 C ATOM 797 O ALA A 52 -4.383 6.750 9.450 1.00 0.00 O ATOM 798 CB ALA A 52 -2.330 4.258 8.623 1.00 0.00 C ATOM 0 H ALA A 52 -0.188 5.549 8.612 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.802 6.170 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.362 3.911 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.873 3.884 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.773 3.888 9.484 1.00 0.00 H new ATOM 804 N LYS A 53 -2.631 6.637 10.950 1.00 0.00 N ATOM 805 CA LYS A 53 -3.177 7.486 12.053 1.00 0.00 C ATOM 806 C LYS A 53 -3.408 9.064 11.726 1.00 0.00 C ATOM 807 O LYS A 53 -4.290 9.760 12.235 1.00 0.00 O ATOM 808 CB LYS A 53 -2.344 7.407 13.331 1.00 0.00 C ATOM 809 CG LYS A 53 -2.244 5.987 13.995 1.00 0.00 C ATOM 810 CD LYS A 53 -1.536 5.812 15.378 1.00 0.00 C ATOM 811 CE LYS A 53 -0.035 6.008 15.256 1.00 0.00 C ATOM 812 NZ LYS A 53 0.677 5.936 16.566 1.00 0.00 N ATOM 0 H LYS A 53 -1.757 6.169 11.191 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.162 7.038 12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.335 7.754 13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.765 8.099 14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.261 5.609 14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.734 5.334 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.942 6.530 16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.745 4.818 15.773 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.371 5.249 14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.162 6.976 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.696 6.077 16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.315 6.677 17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.517 5.003 16.997 1.00 0.00 H new ATOM 825 N LYS A 54 -2.503 9.631 10.913 1.00 0.00 N ATOM 826 CA LYS A 54 -2.570 11.016 10.349 1.00 0.00 C ATOM 827 C LYS A 54 -3.798 11.278 9.387 1.00 0.00 C ATOM 828 O LYS A 54 -4.327 12.394 9.464 1.00 0.00 O ATOM 829 CB LYS A 54 -1.124 11.361 9.799 1.00 0.00 C ATOM 830 CG LYS A 54 -0.740 12.791 9.671 1.00 0.00 C ATOM 831 CD LYS A 54 0.650 12.939 8.918 1.00 0.00 C ATOM 832 CE LYS A 54 1.922 12.387 9.572 1.00 0.00 C ATOM 833 NZ LYS A 54 3.130 12.913 8.927 1.00 0.00 N ATOM 0 H LYS A 54 -1.667 9.130 10.610 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.812 11.743 11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.397 10.879 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.024 10.901 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.513 13.332 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.672 13.244 10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.548 12.459 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.811 14.001 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.931 12.647 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.921 11.299 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.972 12.520 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.133 12.643 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.143 13.950 9.007 1.00 0.00 H new ATOM 846 N PHE A 55 -4.128 10.267 8.501 1.00 0.00 N ATOM 847 CA PHE A 55 -4.674 10.410 7.169 1.00 0.00 C ATOM 848 C PHE A 55 -5.920 9.394 7.095 1.00 0.00 C ATOM 849 O PHE A 55 -5.829 8.286 6.548 1.00 0.00 O ATOM 850 CB PHE A 55 -3.511 10.142 6.151 1.00 0.00 C ATOM 851 CG PHE A 55 -2.927 11.449 5.574 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.792 12.263 4.858 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.604 11.815 5.825 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.270 13.470 4.320 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.156 13.053 5.426 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.948 13.849 4.638 1.00 0.00 C ATOM 0 H PHE A 55 -3.997 9.287 8.751 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.053 11.401 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.719 9.580 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.881 9.520 5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.827 11.989 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.937 11.131 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.877 14.089 3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.180 13.398 5.733 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.554 14.779 4.255 1.00 0.00 H new ATOM 866 N PRO A 56 -7.129 9.799 7.639 1.00 0.00 N ATOM 867 CA PRO A 56 -8.356 9.035 7.621 1.00 0.00 C ATOM 868 C PRO A 56 -8.999 8.529 6.300 1.00 0.00 C ATOM 869 O PRO A 56 -9.628 7.489 6.390 1.00 0.00 O ATOM 870 CB PRO A 56 -9.478 9.887 8.299 1.00 0.00 C ATOM 871 CG PRO A 56 -8.878 11.293 8.176 1.00 0.00 C ATOM 872 CD PRO A 56 -7.409 11.037 8.368 1.00 0.00 C ATOM 0 HA PRO A 56 -8.012 8.125 8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.434 9.798 7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.647 9.598 9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.088 11.741 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.274 11.971 8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.813 11.864 7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.163 10.934 9.425 1.00 0.00 H new ATOM 880 N ASN A 57 -9.006 9.251 5.180 1.00 0.00 N ATOM 881 CA ASN A 57 -9.613 8.883 3.875 1.00 0.00 C ATOM 882 C ASN A 57 -9.143 7.525 3.158 1.00 0.00 C ATOM 883 O ASN A 57 -9.457 7.382 1.952 1.00 0.00 O ATOM 884 CB ASN A 57 -9.675 10.099 2.865 1.00 0.00 C ATOM 885 CG ASN A 57 -8.327 10.685 2.275 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.632 11.563 3.096 1.00 0.00 O flip ATOM 887 ND2 ASN A 57 -7.876 10.224 1.226 1.00 0.00 N flip ATOM 0 H ASN A 57 -8.563 10.169 5.144 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.623 8.622 4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.296 9.794 2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.196 10.915 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.439 9.582 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.940 10.484 0.916 1.00 0.00 H new ATOM 894 N VAL A 58 -8.245 6.778 3.778 1.00 0.00 N ATOM 895 CA VAL A 58 -7.282 5.864 3.153 1.00 0.00 C ATOM 896 C VAL A 58 -7.052 4.507 3.906 1.00 0.00 C ATOM 897 O VAL A 58 -6.389 4.398 4.945 1.00 0.00 O ATOM 898 CB VAL A 58 -6.112 6.802 2.626 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.454 7.832 3.620 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.082 6.015 1.868 1.00 0.00 C ATOM 0 H VAL A 58 -8.157 6.789 4.794 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.630 5.329 2.270 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.649 7.475 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.675 8.391 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.215 8.522 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.016 7.296 4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.295 6.685 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.651 5.256 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.551 5.532 1.011 1.00 0.00 H new ATOM 910 N THR A 59 -7.511 3.400 3.336 1.00 0.00 N ATOM 911 CA THR A 59 -7.088 2.027 3.666 1.00 0.00 C ATOM 912 C THR A 59 -5.618 1.739 3.334 1.00 0.00 C ATOM 913 O THR A 59 -5.019 2.302 2.409 1.00 0.00 O ATOM 914 CB THR A 59 -8.150 1.008 3.150 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.393 1.339 3.744 1.00 0.00 O ATOM 916 CG2 THR A 59 -8.025 -0.509 3.503 1.00 0.00 C ATOM 0 H THR A 59 -8.217 3.425 2.600 1.00 0.00 H new ATOM 0 HA THR A 59 -7.074 1.900 4.749 1.00 0.00 H new ATOM 0 HB THR A 59 -8.021 1.101 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.081 0.713 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.855 -1.056 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.083 -0.897 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.050 -0.634 4.586 1.00 0.00 H new ATOM 924 N PHE A 60 -4.928 0.956 4.154 1.00 0.00 N ATOM 925 CA PHE A 60 -3.501 0.706 4.189 1.00 0.00 C ATOM 926 C PHE A 60 -3.338 -0.778 4.438 1.00 0.00 C ATOM 927 O PHE A 60 -3.919 -1.452 5.302 1.00 0.00 O ATOM 928 CB PHE A 60 -2.654 1.490 5.159 1.00 0.00 C ATOM 929 CG PHE A 60 -2.541 2.976 4.762 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.622 3.444 3.830 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.395 3.974 5.326 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.454 4.801 3.549 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.236 5.357 5.014 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.278 5.775 4.163 1.00 0.00 C ATOM 0 H PHE A 60 -5.408 0.429 4.884 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.116 1.058 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.083 1.414 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.657 1.051 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.012 2.727 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.180 3.674 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.687 5.111 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.895 6.082 5.468 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.142 6.826 3.955 1.00 0.00 H new ATOM 944 N LEU A 61 -2.500 -1.409 3.572 1.00 0.00 N ATOM 945 CA LEU A 61 -2.318 -2.849 3.486 1.00 0.00 C ATOM 946 C LEU A 61 -0.903 -3.131 2.968 1.00 0.00 C ATOM 947 O LEU A 61 -0.206 -2.305 2.399 1.00 0.00 O ATOM 948 CB LEU A 61 -3.518 -3.533 2.802 1.00 0.00 C ATOM 949 CG LEU A 61 -3.509 -3.747 1.231 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.796 -5.056 0.799 1.00 0.00 C ATOM 951 CD2 LEU A 61 -4.889 -3.754 0.550 1.00 0.00 C ATOM 0 H LEU A 61 -1.924 -0.898 2.903 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.344 -3.338 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.641 -4.513 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.407 -2.952 3.046 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.961 -2.866 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.824 -5.144 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.759 -5.033 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.303 -5.911 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.765 -3.907 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.495 -4.560 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.386 -2.800 0.725 1.00 0.00 H new ATOM 963 N LYS A 62 -0.380 -4.311 3.272 1.00 0.00 N ATOM 964 CA LYS A 62 1.104 -4.651 3.161 1.00 0.00 C ATOM 965 C LYS A 62 1.179 -6.194 2.818 1.00 0.00 C ATOM 966 O LYS A 62 0.889 -7.045 3.680 1.00 0.00 O ATOM 967 CB LYS A 62 1.938 -4.280 4.412 1.00 0.00 C ATOM 968 CG LYS A 62 1.597 -4.952 5.745 1.00 0.00 C ATOM 969 CD LYS A 62 2.627 -4.644 6.855 1.00 0.00 C ATOM 970 CE LYS A 62 2.153 -5.165 8.151 1.00 0.00 C ATOM 971 NZ LYS A 62 3.079 -4.653 9.242 1.00 0.00 N ATOM 0 H LYS A 62 -0.945 -5.091 3.609 1.00 0.00 H new ATOM 0 HA LYS A 62 1.560 -4.046 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.983 -4.497 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.859 -3.202 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.610 -4.622 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.540 -6.031 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.588 -5.093 6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.787 -3.568 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.130 -4.840 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.145 -6.255 8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.855 -5.129 10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.066 -4.852 8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.951 -3.627 9.353 1.00 0.00 H new ATOM 984 N VAL A 63 1.676 -6.411 1.598 1.00 0.00 N ATOM 985 CA VAL A 63 1.794 -7.625 0.913 1.00 0.00 C ATOM 986 C VAL A 63 3.256 -8.255 1.207 1.00 0.00 C ATOM 987 O VAL A 63 4.286 -7.735 0.737 1.00 0.00 O ATOM 988 CB VAL A 63 1.352 -7.660 -0.667 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.780 -8.929 -1.434 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.162 -7.523 -0.801 1.00 0.00 C ATOM 0 H VAL A 63 2.033 -5.636 1.039 1.00 0.00 H new ATOM 0 HA VAL A 63 1.018 -8.271 1.325 1.00 0.00 H new ATOM 0 HB VAL A 63 1.880 -6.818 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.443 -8.860 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.866 -9.019 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.333 -9.806 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.438 -7.548 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.649 -8.346 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.482 -6.577 -0.365 1.00 0.00 H new ATOM 1000 N ASP A 64 3.315 -9.372 1.983 1.00 0.00 N ATOM 1001 CA ASP A 64 4.455 -10.277 2.091 1.00 0.00 C ATOM 1002 C ASP A 64 4.484 -11.001 0.684 1.00 0.00 C ATOM 1003 O ASP A 64 3.601 -11.812 0.379 1.00 0.00 O ATOM 1004 CB ASP A 64 4.132 -11.248 3.227 1.00 0.00 C ATOM 1005 CG ASP A 64 5.261 -12.312 3.340 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.301 -12.008 3.878 1.00 0.00 O ATOM 1007 OD2 ASP A 64 4.964 -13.513 2.660 1.00 0.00 O ATOM 0 H ASP A 64 2.531 -9.663 2.566 1.00 0.00 H new ATOM 0 HA ASP A 64 5.416 -9.811 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.035 -10.705 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.175 -11.736 3.041 1.00 0.00 H new ATOM 1013 N VAL A 65 5.377 -10.496 -0.170 1.00 0.00 N ATOM 1014 CA VAL A 65 5.705 -11.012 -1.559 1.00 0.00 C ATOM 1015 C VAL A 65 6.110 -12.477 -1.839 1.00 0.00 C ATOM 1016 O VAL A 65 5.767 -12.967 -2.935 1.00 0.00 O ATOM 1017 CB VAL A 65 6.632 -9.923 -2.255 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.177 -10.216 -2.206 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.219 -9.486 -3.677 1.00 0.00 C ATOM 0 H VAL A 65 5.934 -9.676 0.072 1.00 0.00 H new ATOM 0 HA VAL A 65 4.725 -11.132 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 65 6.441 -9.072 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.716 -9.413 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.503 -10.278 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.384 -11.161 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.924 -8.742 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.223 -10.352 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.218 -9.055 -3.649 1.00 0.00 H new ATOM 1029 N ASP A 66 6.751 -13.124 -0.867 1.00 0.00 N ATOM 1030 CA ASP A 66 7.002 -14.558 -0.973 1.00 0.00 C ATOM 1031 C ASP A 66 5.772 -15.481 -1.305 1.00 0.00 C ATOM 1032 O ASP A 66 5.810 -16.217 -2.274 1.00 0.00 O ATOM 1033 CB ASP A 66 7.781 -14.967 0.330 1.00 0.00 C ATOM 1034 CG ASP A 66 8.942 -14.027 0.752 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.125 -14.299 0.588 1.00 0.00 O ATOM 1036 OD2 ASP A 66 8.476 -13.006 1.535 1.00 0.00 O ATOM 0 H ASP A 66 7.100 -12.688 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 66 7.597 -14.734 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.068 -15.024 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.185 -15.970 0.189 1.00 0.00 H new ATOM 1042 N GLU A 67 4.670 -15.233 -0.650 1.00 0.00 N ATOM 1043 CA GLU A 67 3.332 -15.716 -1.060 1.00 0.00 C ATOM 1044 C GLU A 67 2.724 -15.306 -2.510 1.00 0.00 C ATOM 1045 O GLU A 67 2.185 -16.110 -3.288 1.00 0.00 O ATOM 1046 CB GLU A 67 2.225 -15.607 -0.003 1.00 0.00 C ATOM 1047 CG GLU A 67 2.156 -16.749 1.069 1.00 0.00 C ATOM 1048 CD GLU A 67 1.328 -17.988 0.628 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.073 -18.220 -0.545 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.058 -18.842 1.685 1.00 0.00 O ATOM 0 H GLU A 67 4.652 -14.679 0.206 1.00 0.00 H new ATOM 0 HA GLU A 67 3.639 -16.755 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.346 -14.658 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.266 -15.567 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.170 -17.070 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.725 -16.346 1.986 1.00 0.00 H new ATOM 1058 N LEU A 68 2.907 -14.009 -2.890 1.00 0.00 N ATOM 1059 CA LEU A 68 2.030 -13.260 -3.813 1.00 0.00 C ATOM 1060 C LEU A 68 2.943 -12.330 -4.811 1.00 0.00 C ATOM 1061 O LEU A 68 2.763 -11.117 -5.021 1.00 0.00 O ATOM 1062 CB LEU A 68 1.010 -12.414 -3.001 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.190 -13.089 -2.366 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.981 -12.035 -1.558 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.240 -13.733 -3.366 1.00 0.00 C ATOM 0 H LEU A 68 3.690 -13.450 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 68 1.463 -13.954 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.562 -11.915 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.633 -11.635 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 68 0.239 -13.898 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.848 -12.507 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.340 -11.614 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.314 -11.240 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.053 -14.186 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.641 -12.959 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.748 -14.497 -3.967 1.00 0.00 H new ATOM 1077 N LYS A 69 3.904 -12.978 -5.439 1.00 0.00 N ATOM 1078 CA LYS A 69 4.793 -12.466 -6.509 1.00 0.00 C ATOM 1079 C LYS A 69 4.235 -12.326 -7.912 1.00 0.00 C ATOM 1080 O LYS A 69 4.690 -11.345 -8.543 1.00 0.00 O ATOM 1081 CB LYS A 69 6.097 -13.325 -6.377 1.00 0.00 C ATOM 1082 CG LYS A 69 6.037 -14.859 -6.662 1.00 0.00 C ATOM 1083 CD LYS A 69 7.521 -15.397 -6.567 1.00 0.00 C ATOM 1084 CE LYS A 69 7.670 -16.864 -6.999 1.00 0.00 C ATOM 1085 NZ LYS A 69 9.063 -17.242 -6.674 1.00 0.00 N ATOM 0 H LYS A 69 4.114 -13.950 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 69 4.973 -11.403 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.840 -12.896 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.473 -13.195 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.396 -15.362 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.617 -15.053 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.165 -14.776 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.872 -15.291 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.959 -17.501 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.472 -16.980 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.226 -18.233 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.720 -16.627 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.223 -17.132 -5.652 1.00 0.00 H new ATOM 1098 N ALA A 70 3.444 -13.323 -8.361 1.00 0.00 N ATOM 1099 CA ALA A 70 2.684 -13.315 -9.652 1.00 0.00 C ATOM 1100 C ALA A 70 1.790 -12.098 -9.870 1.00 0.00 C ATOM 1101 O ALA A 70 2.031 -11.365 -10.850 1.00 0.00 O ATOM 1102 CB ALA A 70 1.946 -14.621 -9.931 1.00 0.00 C ATOM 0 H ALA A 70 3.305 -14.183 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 70 3.470 -13.226 -10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.418 -14.544 -10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.663 -15.441 -9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.230 -14.812 -9.132 1.00 0.00 H new ATOM 1108 N VAL A 71 0.880 -11.912 -8.895 1.00 0.00 N ATOM 1109 CA VAL A 71 0.164 -10.613 -8.711 1.00 0.00 C ATOM 1110 C VAL A 71 0.913 -9.223 -8.453 1.00 0.00 C ATOM 1111 O VAL A 71 0.560 -8.275 -9.190 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.997 -10.802 -7.641 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.433 -10.879 -6.263 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.944 -9.578 -7.595 1.00 0.00 C ATOM 0 H VAL A 71 0.617 -12.632 -8.222 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.150 -10.440 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.523 -11.709 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.243 -11.008 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.250 -11.726 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.107 -9.959 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.723 -9.748 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.375 -8.688 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.402 -9.435 -8.574 1.00 0.00 H new ATOM 1124 N ALA A 72 1.836 -9.128 -7.510 1.00 0.00 N ATOM 1125 CA ALA A 72 2.783 -8.022 -7.451 1.00 0.00 C ATOM 1126 C ALA A 72 3.382 -7.538 -8.761 1.00 0.00 C ATOM 1127 O ALA A 72 3.207 -6.410 -9.181 1.00 0.00 O ATOM 1128 CB ALA A 72 3.895 -8.331 -6.484 1.00 0.00 C ATOM 0 H ALA A 72 1.951 -9.814 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 72 2.162 -7.191 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.593 -7.494 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.478 -8.493 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.420 -9.229 -6.808 1.00 0.00 H new ATOM 1134 N GLU A 73 3.986 -8.474 -9.465 1.00 0.00 N ATOM 1135 CA GLU A 73 4.316 -8.261 -10.896 1.00 0.00 C ATOM 1136 C GLU A 73 3.214 -7.682 -11.816 1.00 0.00 C ATOM 1137 O GLU A 73 3.488 -6.563 -12.248 1.00 0.00 O ATOM 1138 CB GLU A 73 5.004 -9.473 -11.451 1.00 0.00 C ATOM 1139 CG GLU A 73 6.371 -9.858 -10.950 1.00 0.00 C ATOM 1140 CD GLU A 73 6.762 -11.285 -11.381 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.447 -12.288 -10.770 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.504 -11.227 -12.487 1.00 0.00 O ATOM 0 H GLU A 73 4.263 -9.383 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 73 5.009 -7.420 -10.896 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.345 -10.325 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.080 -9.337 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.109 -9.150 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.391 -9.789 -9.862 1.00 0.00 H new ATOM 1150 N GLU A 74 1.992 -8.309 -11.889 1.00 0.00 N ATOM 1151 CA GLU A 74 0.778 -7.836 -12.654 1.00 0.00 C ATOM 1152 C GLU A 74 0.336 -6.380 -12.470 1.00 0.00 C ATOM 1153 O GLU A 74 -0.139 -5.822 -13.474 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.471 -8.746 -12.772 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.705 -8.657 -11.840 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.817 -9.611 -12.318 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.935 -10.768 -11.935 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.672 -8.981 -13.160 1.00 0.00 O ATOM 0 H GLU A 74 1.817 -9.187 -11.401 1.00 0.00 H new ATOM 0 HA GLU A 74 1.286 -7.923 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.847 -8.615 -13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.108 -9.771 -12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.416 -8.909 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.080 -7.634 -11.821 1.00 0.00 H new ATOM 1166 N TRP A 75 0.140 -5.797 -11.238 1.00 0.00 N ATOM 1167 CA TRP A 75 0.017 -4.372 -11.063 1.00 0.00 C ATOM 1168 C TRP A 75 1.225 -3.544 -11.551 1.00 0.00 C ATOM 1169 O TRP A 75 0.902 -2.556 -12.181 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.325 -4.022 -9.485 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.307 -4.866 -8.617 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.937 -5.556 -7.485 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.562 -5.362 -8.979 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.997 -6.438 -7.074 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.967 -6.316 -8.072 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.420 -5.092 -10.100 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.234 -6.973 -8.153 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.719 -5.659 -10.152 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -5.109 -6.643 -9.214 1.00 0.00 C ATOM 0 H TRP A 75 0.069 -6.328 -10.370 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.808 -4.072 -11.709 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.628 -4.018 -8.956 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.702 -2.999 -9.471 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.011 -5.451 -6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.032 -7.023 -6.239 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.075 -4.457 -10.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.518 -7.709 -7.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.415 -5.337 -10.913 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.065 -7.137 -9.307 1.00 0.00 H new ATOM 1190 N ASN A 76 2.473 -3.812 -11.221 1.00 0.00 N ATOM 1191 CA ASN A 76 3.704 -3.493 -11.970 1.00 0.00 C ATOM 1192 C ASN A 76 4.891 -3.485 -10.899 1.00 0.00 C ATOM 1193 O ASN A 76 5.195 -2.402 -10.385 1.00 0.00 O ATOM 1194 CB ASN A 76 3.710 -2.133 -12.860 1.00 0.00 C ATOM 1195 CG ASN A 76 4.928 -2.018 -13.804 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.056 -2.784 -14.778 1.00 0.00 O ATOM 1197 ND2 ASN A 76 5.838 -1.111 -13.550 1.00 0.00 N ATOM 0 H ASN A 76 2.686 -4.300 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 76 3.811 -4.257 -12.740 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.796 -2.092 -13.453 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.695 -1.272 -12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.658 -1.029 -14.151 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.727 -0.487 -12.751 1.00 0.00 H new ATOM 1204 N VAL A 77 5.523 -4.621 -10.529 1.00 0.00 N ATOM 1205 CA VAL A 77 6.381 -4.755 -9.347 1.00 0.00 C ATOM 1206 C VAL A 77 7.420 -5.867 -9.718 1.00 0.00 C ATOM 1207 O VAL A 77 7.212 -7.021 -9.539 1.00 0.00 O ATOM 1208 CB VAL A 77 5.719 -5.082 -7.983 1.00 0.00 C ATOM 1209 CG1 VAL A 77 6.627 -5.190 -6.748 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.618 -4.179 -7.493 1.00 0.00 C ATOM 0 H VAL A 77 5.444 -5.487 -11.062 1.00 0.00 H new ATOM 0 HA VAL A 77 6.796 -3.766 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 77 5.344 -6.052 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.023 -5.422 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.360 -5.981 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.143 -4.243 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.257 -4.536 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.001 -3.164 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.798 -4.182 -8.211 1.00 0.00 H new ATOM 1220 N GLU A 78 8.576 -5.498 -10.209 1.00 0.00 N ATOM 1221 CA GLU A 78 9.888 -6.260 -10.375 1.00 0.00 C ATOM 1222 C GLU A 78 10.829 -6.135 -9.116 1.00 0.00 C ATOM 1223 O GLU A 78 11.942 -6.731 -9.230 1.00 0.00 O ATOM 1224 CB GLU A 78 10.563 -5.771 -11.653 1.00 0.00 C ATOM 1225 CG GLU A 78 10.345 -4.271 -12.180 1.00 0.00 C ATOM 1226 CD GLU A 78 10.625 -3.142 -11.313 1.00 0.00 C ATOM 1227 OE1 GLU A 78 9.653 -2.730 -10.610 1.00 0.00 O ATOM 1228 OE2 GLU A 78 11.880 -2.538 -11.466 1.00 0.00 O ATOM 0 H GLU A 78 8.683 -4.546 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 78 9.675 -7.326 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.636 -5.910 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.251 -6.440 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.957 -4.151 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.304 -4.187 -12.493 1.00 0.00 H new ATOM 1236 N ALA A 79 10.484 -5.323 -8.118 1.00 0.00 N ATOM 1237 CA ALA A 79 11.451 -4.676 -7.216 1.00 0.00 C ATOM 1238 C ALA A 79 10.931 -4.505 -5.708 1.00 0.00 C ATOM 1239 O ALA A 79 9.920 -3.821 -5.462 1.00 0.00 O ATOM 1240 CB ALA A 79 11.968 -3.269 -7.774 1.00 0.00 C ATOM 0 H ALA A 79 9.514 -5.089 -7.906 1.00 0.00 H new ATOM 0 HA ALA A 79 12.289 -5.373 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.678 -2.837 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.457 -3.417 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.122 -2.593 -7.897 1.00 0.00 H new ATOM 1246 N MET A 80 11.821 -4.919 -4.795 1.00 0.00 N ATOM 1247 CA MET A 80 11.879 -4.359 -3.392 1.00 0.00 C ATOM 1248 C MET A 80 12.410 -2.906 -3.383 1.00 0.00 C ATOM 1249 O MET A 80 13.551 -2.767 -3.837 1.00 0.00 O ATOM 1250 CB MET A 80 12.694 -5.338 -2.478 1.00 0.00 C ATOM 1251 CG MET A 80 11.746 -6.398 -1.810 1.00 0.00 C ATOM 1252 SD MET A 80 10.927 -7.468 -3.099 1.00 0.00 S ATOM 1253 CE MET A 80 9.378 -6.707 -3.064 1.00 0.00 C ATOM 0 H MET A 80 12.520 -5.638 -4.980 1.00 0.00 H new ATOM 0 HA MET A 80 10.873 -4.291 -2.978 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.455 -5.846 -3.070 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.216 -4.772 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.319 -7.022 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.985 -5.889 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.644 -7.353 -3.545 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.083 -6.530 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.428 -5.756 -3.595 1.00 0.00 H new ATOM 1263 N PRO A 81 11.620 -1.769 -2.978 1.00 0.00 N ATOM 1264 CA PRO A 81 10.167 -1.948 -2.626 1.00 0.00 C ATOM 1265 C PRO A 81 9.152 -0.777 -2.850 1.00 0.00 C ATOM 1266 O PRO A 81 9.204 0.439 -2.660 1.00 0.00 O ATOM 1267 CB PRO A 81 10.193 -2.360 -1.156 1.00 0.00 C ATOM 1268 CG PRO A 81 11.446 -1.535 -0.644 1.00 0.00 C ATOM 1269 CD PRO A 81 12.235 -0.987 -1.936 1.00 0.00 C ATOM 0 HA PRO A 81 9.763 -2.670 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.276 -2.088 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.325 -3.435 -1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.126 -0.707 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.097 -2.165 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.093 0.084 -2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.309 -1.160 -1.869 1.00 0.00 H new ATOM 1277 N THR A 82 8.022 -1.263 -3.223 1.00 0.00 N ATOM 1278 CA THR A 82 7.113 -0.688 -4.266 1.00 0.00 C ATOM 1279 C THR A 82 5.744 -0.542 -3.608 1.00 0.00 C ATOM 1280 O THR A 82 5.194 -1.374 -2.808 1.00 0.00 O ATOM 1281 CB THR A 82 6.996 -1.449 -5.622 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.281 -1.797 -6.109 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.255 -0.698 -6.729 1.00 0.00 C ATOM 0 H THR A 82 7.647 -2.118 -2.813 1.00 0.00 H new ATOM 0 HA THR A 82 7.558 0.256 -4.580 1.00 0.00 H new ATOM 0 HB THR A 82 6.399 -2.330 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.598 -2.602 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.228 -1.311 -7.630 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.236 -0.484 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.772 0.238 -6.943 1.00 0.00 H new ATOM 1291 N PHE A 83 5.252 0.635 -3.912 1.00 0.00 N ATOM 1292 CA PHE A 83 4.094 1.321 -3.252 1.00 0.00 C ATOM 1293 C PHE A 83 3.127 1.860 -4.359 1.00 0.00 C ATOM 1294 O PHE A 83 3.446 2.777 -5.094 1.00 0.00 O ATOM 1295 CB PHE A 83 4.419 2.388 -2.249 1.00 0.00 C ATOM 1296 CG PHE A 83 5.170 1.983 -0.894 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.567 2.053 -1.007 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.554 1.662 0.316 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.268 1.766 0.163 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.221 1.526 1.469 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.586 1.569 1.437 1.00 0.00 C ATOM 0 H PHE A 83 5.649 1.197 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 83 3.618 0.555 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.031 3.136 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.484 2.875 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.062 2.310 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.484 1.516 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.344 1.687 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.693 1.386 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.156 1.458 2.348 1.00 0.00 H new ATOM 1311 N ILE A 84 2.014 1.214 -4.518 1.00 0.00 N ATOM 1312 CA ILE A 84 0.954 1.305 -5.528 1.00 0.00 C ATOM 1313 C ILE A 84 -0.293 1.917 -4.814 1.00 0.00 C ATOM 1314 O ILE A 84 -0.528 1.864 -3.615 1.00 0.00 O ATOM 1315 CB ILE A 84 0.979 -0.113 -6.132 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.071 -0.331 -7.201 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.376 -0.465 -6.645 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.287 -1.771 -7.502 1.00 0.00 C ATOM 0 H ILE A 84 1.773 0.490 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 84 1.022 1.976 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 84 1.251 -0.793 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.790 0.191 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.006 0.110 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.354 -1.468 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.094 -0.434 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.671 0.249 -7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.064 -1.872 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.595 -2.290 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.360 -2.208 -7.873 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.975 2.696 -5.716 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.931 3.774 -5.324 1.00 0.00 C ATOM 1332 C PHE A 85 -3.163 3.587 -6.298 1.00 0.00 C ATOM 1333 O PHE A 85 -3.002 3.743 -7.539 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.341 5.182 -5.578 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.237 5.578 -4.591 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.173 5.352 -4.824 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.583 6.355 -3.460 1.00 0.00 C ATOM 1338 CE1 PHE A 85 2.106 5.638 -3.871 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.348 6.597 -2.470 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.685 6.285 -2.678 1.00 0.00 C ATOM 0 H PHE A 85 -0.874 2.591 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.177 3.703 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.941 5.220 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.144 5.917 -5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.494 4.948 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.580 6.760 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.144 5.378 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.036 7.030 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.415 6.537 -1.923 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.214 3.017 -5.636 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.389 2.445 -6.344 1.00 0.00 C ATOM 1352 C LEU A 86 -6.486 3.192 -5.476 1.00 0.00 C ATOM 1353 O LEU A 86 -6.723 3.141 -4.283 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.325 0.921 -6.188 1.00 0.00 C ATOM 1355 CG LEU A 86 -5.983 -0.055 -7.220 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.371 0.530 -7.521 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.031 -0.219 -8.359 1.00 0.00 C ATOM 0 H LEU A 86 -4.266 2.944 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.523 2.577 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.269 0.656 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.760 0.688 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.159 -1.075 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.887 -0.107 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.951 0.582 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.261 1.531 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.461 -0.895 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.845 0.751 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.092 -0.633 -7.992 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.260 3.829 -6.327 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.428 4.691 -6.017 1.00 0.00 C ATOM 1371 C LYS A 87 -9.747 4.112 -6.637 1.00 0.00 C ATOM 1372 O LYS A 87 -9.720 3.306 -7.588 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.050 6.161 -6.451 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.766 7.196 -5.591 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.380 8.609 -6.020 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.112 9.808 -5.350 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.592 11.071 -5.826 1.00 0.00 N ATOM 0 H LYS A 87 -7.095 3.767 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.653 4.714 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.972 6.300 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.312 6.312 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.845 7.066 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.510 7.046 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.311 8.730 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.535 8.684 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.180 9.749 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.997 9.749 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.271 11.641 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.791 10.897 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.339 11.584 -6.337 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.885 4.784 -6.237 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.047 4.907 -7.133 1.00 0.00 C ATOM 1392 C ASP A 88 -11.878 5.644 -8.572 1.00 0.00 C ATOM 1393 O ASP A 88 -12.707 6.505 -8.916 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.329 5.335 -6.362 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.288 6.787 -5.823 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.798 7.794 -6.407 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.534 6.910 -4.601 1.00 0.00 O ATOM 0 H ASP A 88 -11.000 5.228 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.157 3.880 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.190 5.228 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.482 4.653 -5.526 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.787 5.212 -9.266 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.368 5.695 -10.637 1.00 0.00 C ATOM 1405 C GLY A 89 -9.272 4.779 -11.271 1.00 0.00 C ATOM 1406 O GLY A 89 -8.450 5.313 -12.000 1.00 0.00 O ATOM 0 H GLY A 89 -10.155 4.505 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.239 5.725 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.990 6.714 -10.562 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.271 3.487 -10.963 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.130 2.607 -11.243 1.00 0.00 C ATOM 1412 C LYS A 90 -6.716 3.034 -10.531 1.00 0.00 C ATOM 1413 O LYS A 90 -6.677 3.638 -9.488 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.162 2.116 -12.729 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.276 1.038 -13.089 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.444 0.737 -14.601 1.00 0.00 C ATOM 1417 CE LYS A 90 -10.127 1.840 -15.441 1.00 0.00 C ATOM 1418 NZ LYS A 90 -10.423 1.411 -16.816 1.00 0.00 N ATOM 0 H LYS A 90 -10.056 3.016 -10.513 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.240 1.675 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.304 2.984 -13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.186 1.695 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.037 0.107 -12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.232 1.383 -12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.458 0.544 -15.024 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.021 -0.182 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.054 2.141 -14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.483 2.719 -15.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.880 2.190 -17.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.538 1.150 -17.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.061 0.590 -16.794 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.635 2.687 -11.162 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.249 3.003 -10.714 1.00 0.00 C ATOM 1433 C LEU A 91 -3.833 4.471 -10.879 1.00 0.00 C ATOM 1434 O LEU A 91 -3.301 4.847 -11.919 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.226 2.073 -11.461 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.736 2.264 -11.090 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.327 1.565 -9.727 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.683 1.624 -12.005 1.00 0.00 C ATOM 0 H LEU A 91 -5.659 2.158 -12.034 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.239 2.817 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.498 1.036 -11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.336 2.234 -12.533 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.715 3.353 -11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.269 1.741 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.921 1.980 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.509 0.493 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.314 1.841 -11.621 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.833 0.545 -12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.780 2.031 -13.012 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.077 5.247 -9.877 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.583 6.644 -9.776 1.00 0.00 C ATOM 1452 C VAL A 92 -2.050 6.892 -9.708 1.00 0.00 C ATOM 1453 O VAL A 92 -1.638 7.904 -10.292 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.413 7.485 -8.789 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.942 7.554 -9.120 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.265 7.161 -7.320 1.00 0.00 C ATOM 0 H VAL A 92 -4.633 4.955 -9.073 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.769 7.026 -10.780 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.952 8.459 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.449 8.166 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.081 7.996 -10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.362 6.548 -9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.902 7.825 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.560 6.127 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.226 7.298 -7.020 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.197 5.972 -9.164 1.00 0.00 N ATOM 1467 CA ASP A 93 0.276 6.150 -9.003 1.00 0.00 C ATOM 1468 C ASP A 93 1.019 4.802 -8.681 1.00 0.00 C ATOM 1469 O ASP A 93 0.404 3.796 -8.385 1.00 0.00 O ATOM 1470 CB ASP A 93 0.555 7.223 -7.970 1.00 0.00 C ATOM 1471 CG ASP A 93 1.886 7.971 -8.083 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.942 7.636 -7.540 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.849 8.900 -9.155 1.00 0.00 O ATOM 0 H ASP A 93 -1.523 5.069 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 93 0.682 6.480 -9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.250 7.956 -8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.508 6.763 -6.983 1.00 0.00 H new ATOM 1479 N LYS A 94 2.348 4.839 -8.726 1.00 0.00 N ATOM 1480 CA LYS A 94 3.260 3.740 -8.392 1.00 0.00 C ATOM 1481 C LYS A 94 4.686 4.396 -8.253 1.00 0.00 C ATOM 1482 O LYS A 94 5.052 5.258 -9.021 1.00 0.00 O ATOM 1483 CB LYS A 94 3.145 2.581 -9.447 1.00 0.00 C ATOM 1484 CG LYS A 94 3.848 2.848 -10.818 1.00 0.00 C ATOM 1485 CD LYS A 94 3.658 1.647 -11.788 1.00 0.00 C ATOM 1486 CE LYS A 94 4.237 1.903 -13.184 1.00 0.00 C ATOM 1487 NZ LYS A 94 3.572 3.076 -13.900 1.00 0.00 N ATOM 0 H LYS A 94 2.848 5.681 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 94 3.017 3.244 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.566 1.674 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.089 2.385 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.440 3.752 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.911 3.024 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.133 0.764 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.595 1.425 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.306 2.096 -13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.123 1.003 -13.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.932 3.138 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.542 2.932 -13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.788 3.959 -13.395 1.00 0.00 H new ATOM 1500 N THR A 95 5.382 4.097 -7.176 1.00 0.00 N ATOM 1501 CA THR A 95 6.656 4.665 -6.703 1.00 0.00 C ATOM 1502 C THR A 95 7.379 3.392 -6.012 1.00 0.00 C ATOM 1503 O THR A 95 6.810 2.351 -5.811 1.00 0.00 O ATOM 1504 CB THR A 95 6.435 5.887 -5.748 1.00 0.00 C ATOM 1505 OG1 THR A 95 5.703 6.963 -6.292 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.797 6.440 -5.298 1.00 0.00 C ATOM 0 H THR A 95 5.047 3.378 -6.535 1.00 0.00 H new ATOM 0 HA THR A 95 7.273 5.097 -7.491 1.00 0.00 H new ATOM 0 HB THR A 95 5.841 5.487 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.829 6.643 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.643 7.290 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.349 5.662 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.366 6.760 -6.171 1.00 0.00 H new ATOM 1514 N VAL A 96 8.740 3.438 -5.888 1.00 0.00 N ATOM 1515 CA VAL A 96 9.572 2.245 -5.506 1.00 0.00 C ATOM 1516 C VAL A 96 10.783 2.949 -4.759 1.00 0.00 C ATOM 1517 O VAL A 96 11.738 3.530 -5.407 1.00 0.00 O ATOM 1518 CB VAL A 96 9.851 1.221 -6.635 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.018 1.791 -8.105 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.864 0.148 -6.240 1.00 0.00 C ATOM 0 H VAL A 96 9.286 4.285 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 96 9.080 1.518 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 96 8.896 0.705 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.209 0.969 -8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.105 2.308 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.855 2.489 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.014 -0.536 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.812 0.620 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.490 -0.406 -5.379 1.00 0.00 H new ATOM 1530 N GLY A 97 10.779 2.769 -3.378 1.00 0.00 N ATOM 1531 CA GLY A 97 11.848 3.219 -2.515 1.00 0.00 C ATOM 1532 C GLY A 97 11.542 2.853 -1.080 1.00 0.00 C ATOM 1533 O GLY A 97 10.844 1.912 -0.788 1.00 0.00 O ATOM 0 H GLY A 97 10.019 2.306 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.790 2.765 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.970 4.298 -2.606 1.00 0.00 H new ATOM 1537 N ALA A 98 12.205 3.611 -0.188 1.00 0.00 N ATOM 1538 CA ALA A 98 12.033 3.438 1.291 1.00 0.00 C ATOM 1539 C ALA A 98 12.713 4.713 1.896 1.00 0.00 C ATOM 1540 O ALA A 98 13.936 4.899 1.759 1.00 0.00 O ATOM 1541 CB ALA A 98 12.695 2.164 1.861 1.00 0.00 C ATOM 0 H ALA A 98 12.862 4.346 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 98 10.978 3.325 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.524 2.115 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.262 1.285 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.767 2.192 1.665 1.00 0.00 H new ATOM 1547 N ASP A 99 11.891 5.577 2.597 1.00 0.00 N ATOM 1548 CA ASP A 99 12.268 6.867 3.221 1.00 0.00 C ATOM 1549 C ASP A 99 11.148 7.255 4.299 1.00 0.00 C ATOM 1550 O ASP A 99 9.987 7.425 3.985 1.00 0.00 O ATOM 1551 CB ASP A 99 12.496 7.968 2.129 1.00 0.00 C ATOM 1552 CG ASP A 99 12.992 9.333 2.638 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.351 10.366 2.600 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.275 9.228 3.093 1.00 0.00 O ATOM 0 H ASP A 99 10.903 5.364 2.738 1.00 0.00 H new ATOM 0 HA ASP A 99 13.220 6.780 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.217 7.589 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.558 8.121 1.595 1.00 0.00 H new ATOM 1560 N LYS A 100 11.589 7.432 5.554 1.00 0.00 N ATOM 1561 CA LYS A 100 10.716 7.984 6.619 1.00 0.00 C ATOM 1562 C LYS A 100 9.754 9.293 6.398 1.00 0.00 C ATOM 1563 O LYS A 100 8.695 9.270 7.007 1.00 0.00 O ATOM 1564 CB LYS A 100 11.448 8.050 7.968 1.00 0.00 C ATOM 1565 CG LYS A 100 12.360 9.285 8.260 1.00 0.00 C ATOM 1566 CD LYS A 100 13.270 9.047 9.489 1.00 0.00 C ATOM 1567 CE LYS A 100 13.941 10.381 9.929 1.00 0.00 C ATOM 1568 NZ LYS A 100 14.740 10.203 11.151 1.00 0.00 N ATOM 0 H LYS A 100 12.535 7.205 5.861 1.00 0.00 H new ATOM 0 HA LYS A 100 9.939 7.221 6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.697 7.999 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.064 7.155 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.976 9.497 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.738 10.164 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.683 8.638 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.035 8.310 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.579 10.751 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.174 11.136 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.174 11.110 11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.126 9.873 11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.487 9.500 10.978 1.00 0.00 H new ATOM 1581 N ASP A 101 10.173 10.241 5.594 1.00 0.00 N ATOM 1582 CA ASP A 101 9.608 11.546 5.221 1.00 0.00 C ATOM 1583 C ASP A 101 8.988 11.602 3.789 1.00 0.00 C ATOM 1584 O ASP A 101 7.852 12.037 3.691 1.00 0.00 O ATOM 1585 CB ASP A 101 10.610 12.727 5.469 1.00 0.00 C ATOM 1586 CG ASP A 101 11.930 12.713 4.667 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.926 12.091 5.032 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.841 13.459 3.541 1.00 0.00 O ATOM 0 H ASP A 101 11.057 10.104 5.103 1.00 0.00 H new ATOM 0 HA ASP A 101 8.766 11.679 5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.092 13.661 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.859 12.741 6.530 1.00 0.00 H new ATOM 1594 N GLY A 102 9.733 11.078 2.796 1.00 0.00 N ATOM 1595 CA GLY A 102 9.295 10.900 1.397 1.00 0.00 C ATOM 1596 C GLY A 102 7.937 10.209 1.147 1.00 0.00 C ATOM 1597 O GLY A 102 7.172 10.661 0.303 1.00 0.00 O ATOM 0 H GLY A 102 10.688 10.756 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.260 11.884 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.062 10.327 0.877 1.00 0.00 H new ATOM 1601 N LEU A 103 7.660 9.136 1.859 1.00 0.00 N ATOM 1602 CA LEU A 103 6.356 8.396 1.925 1.00 0.00 C ATOM 1603 C LEU A 103 5.214 9.319 2.499 1.00 0.00 C ATOM 1604 O LEU A 103 4.387 9.574 1.661 1.00 0.00 O ATOM 1605 CB LEU A 103 6.675 6.970 2.428 1.00 0.00 C ATOM 1606 CG LEU A 103 5.457 6.029 2.690 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.764 5.563 1.366 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.863 4.785 3.529 1.00 0.00 C ATOM 0 H LEU A 103 8.367 8.706 2.456 1.00 0.00 H new ATOM 0 HA LEU A 103 5.847 8.170 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.325 6.489 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.244 7.055 3.354 1.00 0.00 H new ATOM 0 HG LEU A 103 4.740 6.622 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.924 4.911 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.403 6.434 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.482 5.019 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.989 4.154 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.625 4.219 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.260 5.109 4.491 1.00 0.00 H new ATOM 1620 N PRO A 104 5.232 9.880 3.731 1.00 0.00 N ATOM 1621 CA PRO A 104 4.280 10.884 4.206 1.00 0.00 C ATOM 1622 C PRO A 104 3.963 12.062 3.159 1.00 0.00 C ATOM 1623 O PRO A 104 2.820 12.512 3.109 1.00 0.00 O ATOM 1624 CB PRO A 104 4.773 11.318 5.577 1.00 0.00 C ATOM 1625 CG PRO A 104 5.694 10.159 6.088 1.00 0.00 C ATOM 1626 CD PRO A 104 6.204 9.470 4.761 1.00 0.00 C ATOM 0 HA PRO A 104 3.281 10.458 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.324 12.256 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.938 11.483 6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.523 10.540 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.144 9.459 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.212 9.797 4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.237 8.385 4.865 1.00 0.00 H new ATOM 1634 N THR A 105 4.970 12.645 2.408 1.00 0.00 N ATOM 1635 CA THR A 105 4.831 13.654 1.315 1.00 0.00 C ATOM 1636 C THR A 105 3.940 13.284 0.047 1.00 0.00 C ATOM 1637 O THR A 105 3.149 14.097 -0.489 1.00 0.00 O ATOM 1638 CB THR A 105 6.251 14.245 1.035 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.849 14.738 2.179 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.272 15.345 -0.138 1.00 0.00 C ATOM 0 H THR A 105 5.947 12.401 2.568 1.00 0.00 H new ATOM 0 HA THR A 105 4.172 14.443 1.678 1.00 0.00 H new ATOM 0 HB THR A 105 6.841 13.400 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.190 13.993 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.290 15.710 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.919 14.894 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.621 16.177 0.132 1.00 0.00 H new ATOM 1648 N LEU A 106 4.281 12.040 -0.383 1.00 0.00 N ATOM 1649 CA LEU A 106 3.661 11.318 -1.518 1.00 0.00 C ATOM 1650 C LEU A 106 2.128 11.077 -1.327 1.00 0.00 C ATOM 1651 O LEU A 106 1.293 11.426 -2.118 1.00 0.00 O ATOM 1652 CB LEU A 106 4.522 10.153 -1.931 1.00 0.00 C ATOM 1653 CG LEU A 106 3.904 9.160 -2.977 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.589 9.732 -4.330 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.844 7.828 -3.106 1.00 0.00 C ATOM 0 H LEU A 106 5.019 11.498 0.067 1.00 0.00 H new ATOM 0 HA LEU A 106 3.647 11.953 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.452 10.545 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.782 9.587 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 106 2.925 8.903 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.168 8.953 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.868 10.543 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.502 10.116 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.408 7.144 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.843 8.118 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.909 7.333 -2.137 1.00 0.00 H new ATOM 1667 N VAL A 107 1.742 10.316 -0.249 1.00 0.00 N ATOM 1668 CA VAL A 107 0.335 10.182 0.196 1.00 0.00 C ATOM 1669 C VAL A 107 -0.447 11.513 0.589 1.00 0.00 C ATOM 1670 O VAL A 107 -1.626 11.617 0.269 1.00 0.00 O ATOM 1671 CB VAL A 107 0.326 9.157 1.384 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -0.958 9.019 2.212 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.727 7.807 0.929 1.00 0.00 C ATOM 0 H VAL A 107 2.402 9.788 0.322 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.226 9.844 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 107 1.050 9.608 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.809 8.274 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.202 9.979 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.777 8.706 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.711 7.119 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.032 7.459 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.734 7.847 0.513 1.00 0.00 H new ATOM 1683 N ALA A 108 0.236 12.488 1.221 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.224 13.886 1.319 1.00 0.00 C ATOM 1685 C ALA A 108 -0.753 14.524 -0.005 1.00 0.00 C ATOM 1686 O ALA A 108 -1.890 15.021 -0.031 1.00 0.00 O ATOM 1687 CB ALA A 108 0.784 14.801 1.989 1.00 0.00 C ATOM 0 H ALA A 108 1.131 12.325 1.682 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.097 13.799 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.385 15.814 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.980 14.447 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.713 14.799 1.418 1.00 0.00 H new ATOM 1693 N LYS A 109 0.042 14.570 -1.083 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.377 14.862 -2.432 1.00 0.00 C ATOM 1695 C LYS A 109 -1.567 14.065 -3.096 1.00 0.00 C ATOM 1696 O LYS A 109 -2.501 14.666 -3.684 1.00 0.00 O ATOM 1697 CB LYS A 109 0.810 14.921 -3.431 1.00 0.00 C ATOM 1698 CG LYS A 109 1.936 15.936 -3.096 1.00 0.00 C ATOM 1699 CD LYS A 109 3.165 15.736 -4.066 1.00 0.00 C ATOM 1700 CE LYS A 109 4.413 16.501 -3.703 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.556 16.120 -4.524 1.00 0.00 N ATOM 0 H LYS A 109 1.044 14.393 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.818 15.841 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.253 13.927 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.415 15.160 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.556 16.953 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.256 15.806 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.409 14.674 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.862 16.027 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.227 17.569 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.649 16.328 -2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.389 16.672 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.752 15.107 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.343 16.309 -5.524 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.547 12.748 -3.028 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.625 11.831 -3.426 1.00 0.00 C ATOM 1716 C HIS A 110 -3.971 12.071 -2.592 1.00 0.00 C ATOM 1717 O HIS A 110 -4.993 12.348 -3.237 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.146 10.327 -3.415 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.556 9.849 -4.721 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.328 9.475 -5.753 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.282 10.237 -5.143 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.455 9.806 -6.757 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.176 10.191 -6.434 1.00 0.00 N ATOM 0 H HIS A 110 -0.732 12.248 -2.673 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.879 12.063 -4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.403 10.201 -2.627 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.993 9.691 -3.159 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.514 10.537 -4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.769 9.765 -7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.625 10.384 -7.036 1.00 0.00 H new ATOM 1731 N ALA A 111 -3.985 11.945 -1.228 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.110 12.322 -0.339 1.00 0.00 C ATOM 1733 C ALA A 111 -5.818 13.718 -0.558 1.00 0.00 C ATOM 1734 O ALA A 111 -7.057 13.843 -0.400 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.762 12.077 1.125 1.00 0.00 C ATOM 0 H ALA A 111 -3.189 11.568 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.896 11.639 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.606 12.363 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.540 11.020 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.890 12.672 1.396 1.00 0.00 H new ATOM 1741 N THR A 112 -5.018 14.781 -0.746 1.00 0.00 N ATOM 1742 CA THR A 112 -5.531 16.162 -1.257 1.00 0.00 C ATOM 1743 C THR A 112 -6.281 16.157 -2.655 1.00 0.00 C ATOM 1744 O THR A 112 -7.457 16.516 -2.774 1.00 0.00 O ATOM 1745 CB THR A 112 -4.384 17.220 -1.148 1.00 0.00 C ATOM 1746 OG1 THR A 112 -3.697 17.080 0.097 1.00 0.00 O ATOM 1747 CG2 THR A 112 -4.812 18.750 -1.342 1.00 0.00 C ATOM 0 H THR A 112 -4.014 14.760 -0.567 1.00 0.00 H new ATOM 0 HA THR A 112 -6.343 16.454 -0.591 1.00 0.00 H new ATOM 0 HB THR A 112 -3.737 16.994 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.981 16.417 0.003 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.934 19.389 -1.245 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.250 18.883 -2.331 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.544 19.022 -0.582 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.677 15.724 -3.723 1.00 0.00 N ATOM 1756 CA ALA A 113 -6.345 15.415 -5.020 1.00 0.00 C ATOM 1757 C ALA A 113 -7.582 14.453 -4.975 1.00 0.00 C ATOM 1758 O ALA A 113 -8.624 14.502 -5.628 1.00 0.00 O ATOM 1759 CB ALA A 113 -5.311 14.746 -5.979 1.00 0.00 C ATOM 1760 OXT ALA A 113 -7.389 13.473 -4.073 1.00 0.00 O ATOM 0 H ALA A 113 -4.671 15.560 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.718 16.385 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.792 14.517 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.478 15.428 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.940 13.825 -5.529 1.00 0.00 H new TER 1767 ALA A 113