USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 4 GLN : amide:sc= -1.11 K(o=-1.6,f=-2.2) USER MOD Set 1.2: A 5 ASN : amide:sc= -0.502 K(o=-1.6,f=-2.6) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.405) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.118) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.132 F(o=-0.81,f=-0.13) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0052 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= -0.174 (180deg=-0.59) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.2 K(o=-2.2,f=-13!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 82 MET CE :methyl 149:sc= -0.998 (180deg=-4.07!) USER MOD Single : A 83 ASN : amide:sc=-0.00801 X(o=-0.008,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -137:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 107:sc= -1.36 USER MOD Single : A 92 ASN : amide:sc= -0.899 K(o=-0.9,f=-4.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.692 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.405 X(o=-0.4,f=0.008) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.335 -3.628 4.419 1.00 34.21 N ATOM 19 CA ALA A 3 10.265 -4.579 4.145 1.00 51.11 C ATOM 20 C ALA A 3 9.616 -5.061 5.437 1.00 41.15 C ATOM 21 O ALA A 3 10.118 -5.976 6.089 1.00 61.13 O ATOM 22 CB ALA A 3 10.799 -5.758 3.347 1.00 50.42 C ATOM 0 HA ALA A 3 9.503 -4.071 3.554 1.00 51.11 H new ATOM 0 HB1 ALA A 3 9.989 -6.460 3.149 1.00 50.42 H new ATOM 0 HB2 ALA A 3 11.209 -5.402 2.402 1.00 50.42 H new ATOM 0 HB3 ALA A 3 11.582 -6.258 3.917 1.00 50.42 H new ATOM 28 N GLN A 4 8.498 -4.441 5.801 1.00 74.34 N ATOM 29 CA GLN A 4 7.783 -4.807 7.017 1.00 61.43 C ATOM 30 C GLN A 4 6.690 -5.828 6.717 1.00 20.14 C ATOM 31 O GLN A 4 5.966 -5.705 5.731 1.00 4.02 O ATOM 32 CB GLN A 4 7.173 -3.565 7.668 1.00 14.34 C ATOM 33 CG GLN A 4 6.433 -3.859 8.964 1.00 10.23 C ATOM 34 CD GLN A 4 7.143 -4.889 9.820 1.00 10.33 C ATOM 35 OE1 GLN A 4 8.349 -4.798 10.051 1.00 34.51 O ATOM 36 NE2 GLN A 4 6.397 -5.877 10.300 1.00 64.41 N ATOM 0 H GLN A 4 8.068 -3.683 5.271 1.00 74.34 H new ATOM 0 HA GLN A 4 8.496 -5.257 7.708 1.00 61.43 H new ATOM 0 HB2 GLN A 4 7.965 -2.843 7.867 1.00 14.34 H new ATOM 0 HB3 GLN A 4 6.485 -3.097 6.964 1.00 14.34 H new ATOM 0 HG2 GLN A 4 6.321 -2.935 9.532 1.00 10.23 H new ATOM 0 HG3 GLN A 4 5.429 -4.214 8.732 1.00 10.23 H new ATOM 0 HE21 GLN A 4 5.401 -5.915 10.084 1.00 64.41 H new ATOM 0 HE22 GLN A 4 6.820 -6.598 10.884 1.00 64.41 H new ATOM 43 N ASN A 5 6.575 -6.835 7.578 1.00 70.25 N ATOM 44 CA ASN A 5 5.571 -7.878 7.405 1.00 22.35 C ATOM 45 C ASN A 5 4.264 -7.493 8.091 1.00 23.21 C ATOM 46 O ASN A 5 4.230 -7.261 9.300 1.00 52.44 O ATOM 47 CB ASN A 5 6.083 -9.206 7.965 1.00 2.44 C ATOM 48 CG ASN A 5 6.244 -9.173 9.474 1.00 72.33 C ATOM 49 OD1 ASN A 5 7.231 -8.651 9.993 1.00 34.31 O ATOM 50 ND2 ASN A 5 5.272 -9.732 10.186 1.00 41.12 N ATOM 0 H ASN A 5 7.165 -6.950 8.402 1.00 70.25 H new ATOM 0 HA ASN A 5 5.381 -7.992 6.338 1.00 22.35 H new ATOM 0 HB2 ASN A 5 5.391 -10.003 7.693 1.00 2.44 H new ATOM 0 HB3 ASN A 5 7.042 -9.446 7.505 1.00 2.44 H new ATOM 0 HD21 ASN A 5 5.326 -9.740 11.205 1.00 41.12 H new ATOM 0 HD22 ASN A 5 4.472 -10.153 9.714 1.00 41.12 H new ATOM 56 N ILE A 6 3.190 -7.427 7.311 1.00 22.24 N ATOM 57 CA ILE A 6 1.880 -7.072 7.843 1.00 52.43 C ATOM 58 C ILE A 6 0.844 -8.142 7.514 1.00 75.21 C ATOM 59 O ILE A 6 0.610 -8.457 6.347 1.00 74.01 O ATOM 60 CB ILE A 6 1.397 -5.718 7.293 1.00 22.05 C ATOM 61 CG1 ILE A 6 2.290 -4.586 7.806 1.00 32.21 C ATOM 62 CG2 ILE A 6 -0.054 -5.474 7.683 1.00 43.24 C ATOM 63 CD1 ILE A 6 3.537 -4.378 6.978 1.00 52.33 C ATOM 0 H ILE A 6 3.201 -7.615 6.308 1.00 22.24 H new ATOM 0 HA ILE A 6 1.989 -6.997 8.925 1.00 52.43 H new ATOM 0 HB ILE A 6 1.461 -5.741 6.205 1.00 22.05 H new ATOM 0 HG12 ILE A 6 1.716 -3.660 7.822 1.00 32.21 H new ATOM 0 HG13 ILE A 6 2.579 -4.800 8.835 1.00 32.21 H new ATOM 0 HG21 ILE A 6 -0.381 -4.513 7.287 1.00 43.24 H new ATOM 0 HG22 ILE A 6 -0.679 -6.267 7.273 1.00 43.24 H new ATOM 0 HG23 ILE A 6 -0.143 -5.468 8.769 1.00 43.24 H new ATOM 0 HD11 ILE A 6 4.122 -3.560 7.400 1.00 52.33 H new ATOM 0 HD12 ILE A 6 4.133 -5.291 6.983 1.00 52.33 H new ATOM 0 HD13 ILE A 6 3.257 -4.133 5.954 1.00 52.33 H new ATOM 74 N THR A 7 0.224 -8.697 8.550 1.00 40.31 N ATOM 75 CA THR A 7 -0.788 -9.730 8.371 1.00 12.53 C ATOM 76 C THR A 7 -2.190 -9.133 8.366 1.00 71.13 C ATOM 77 O THR A 7 -2.478 -8.194 9.108 1.00 61.31 O ATOM 78 CB THR A 7 -0.702 -10.798 9.479 1.00 41.23 C ATOM 79 OG1 THR A 7 -0.779 -10.177 10.766 1.00 34.21 O ATOM 80 CG2 THR A 7 0.593 -11.590 9.369 1.00 72.50 C ATOM 0 H THR A 7 0.405 -8.448 9.522 1.00 40.31 H new ATOM 0 HA THR A 7 -0.593 -10.199 7.407 1.00 12.53 H new ATOM 0 HB THR A 7 -1.540 -11.484 9.357 1.00 41.23 H new ATOM 0 HG1 THR A 7 -0.725 -10.863 11.464 1.00 34.21 H new ATOM 0 HG21 THR A 7 0.631 -12.337 10.161 1.00 72.50 H new ATOM 0 HG22 THR A 7 0.635 -12.087 8.400 1.00 72.50 H new ATOM 0 HG23 THR A 7 1.442 -10.914 9.467 1.00 72.50 H new ATOM 88 N ALA A 8 -3.059 -9.682 7.524 1.00 11.40 N ATOM 89 CA ALA A 8 -4.433 -9.204 7.424 1.00 11.31 C ATOM 90 C ALA A 8 -5.390 -10.346 7.108 1.00 45.40 C ATOM 91 O ALA A 8 -4.964 -11.444 6.743 1.00 32.54 O ATOM 92 CB ALA A 8 -4.538 -8.116 6.365 1.00 13.42 C ATOM 0 H ALA A 8 -2.836 -10.458 6.901 1.00 11.40 H new ATOM 0 HA ALA A 8 -4.716 -8.785 8.389 1.00 11.31 H new ATOM 0 HB1 ALA A 8 -5.569 -7.769 6.301 1.00 13.42 H new ATOM 0 HB2 ALA A 8 -3.890 -7.282 6.635 1.00 13.42 H new ATOM 0 HB3 ALA A 8 -4.230 -8.517 5.399 1.00 13.42 H new ATOM 98 N ARG A 9 -6.686 -10.085 7.250 1.00 52.20 N ATOM 99 CA ARG A 9 -7.703 -11.093 6.981 1.00 64.12 C ATOM 100 C ARG A 9 -8.647 -10.632 5.874 1.00 53.01 C ATOM 101 O ARG A 9 -8.902 -9.437 5.721 1.00 34.02 O ATOM 102 CB ARG A 9 -8.500 -11.397 8.252 1.00 45.02 C ATOM 103 CG ARG A 9 -8.094 -12.695 8.929 1.00 50.42 C ATOM 104 CD ARG A 9 -7.221 -12.438 10.148 1.00 41.41 C ATOM 105 NE ARG A 9 -7.089 -13.627 10.986 1.00 1.35 N ATOM 106 CZ ARG A 9 -6.199 -13.740 11.965 1.00 30.34 C ATOM 107 NH1 ARG A 9 -5.364 -12.743 12.226 1.00 12.15 N ATOM 108 NH2 ARG A 9 -6.140 -14.852 12.686 1.00 41.10 N ATOM 0 H ARG A 9 -7.056 -9.183 7.550 1.00 52.20 H new ATOM 0 HA ARG A 9 -7.199 -12.001 6.650 1.00 64.12 H new ATOM 0 HB2 ARG A 9 -8.373 -10.575 8.956 1.00 45.02 H new ATOM 0 HB3 ARG A 9 -9.560 -11.443 8.004 1.00 45.02 H new ATOM 0 HG2 ARG A 9 -8.986 -13.245 9.228 1.00 50.42 H new ATOM 0 HG3 ARG A 9 -7.555 -13.323 8.220 1.00 50.42 H new ATOM 0 HD2 ARG A 9 -6.233 -12.111 9.824 1.00 41.41 H new ATOM 0 HD3 ARG A 9 -7.649 -11.626 10.736 1.00 41.41 H new ATOM 0 HE ARG A 9 -7.714 -14.413 10.810 1.00 1.35 H new ATOM 0 HH11 ARG A 9 -5.404 -11.886 11.674 1.00 12.15 H new ATOM 0 HH12 ARG A 9 -4.682 -12.833 12.979 1.00 12.15 H new ATOM 0 HH21 ARG A 9 -6.779 -15.622 12.489 1.00 41.10 H new ATOM 0 HH22 ARG A 9 -5.456 -14.937 13.438 1.00 41.10 H new ATOM 119 N ILE A 10 -9.161 -11.585 5.105 1.00 2.45 N ATOM 120 CA ILE A 10 -10.076 -11.276 4.015 1.00 65.00 C ATOM 121 C ILE A 10 -11.292 -10.505 4.517 1.00 52.11 C ATOM 122 O ILE A 10 -12.034 -10.985 5.373 1.00 30.31 O ATOM 123 CB ILE A 10 -10.554 -12.555 3.300 1.00 35.22 C ATOM 124 CG1 ILE A 10 -9.369 -13.282 2.665 1.00 50.14 C ATOM 125 CG2 ILE A 10 -11.599 -12.215 2.249 1.00 55.15 C ATOM 126 CD1 ILE A 10 -9.573 -14.777 2.540 1.00 15.51 C ATOM 0 H ILE A 10 -8.959 -12.578 5.217 1.00 2.45 H new ATOM 0 HA ILE A 10 -9.524 -10.658 3.307 1.00 65.00 H new ATOM 0 HB ILE A 10 -11.010 -13.217 4.036 1.00 35.22 H new ATOM 0 HG12 ILE A 10 -9.185 -12.865 1.675 1.00 50.14 H new ATOM 0 HG13 ILE A 10 -8.476 -13.094 3.261 1.00 50.14 H new ATOM 0 HG21 ILE A 10 -11.927 -13.129 1.753 1.00 55.15 H new ATOM 0 HG22 ILE A 10 -12.453 -11.735 2.727 1.00 55.15 H new ATOM 0 HG23 ILE A 10 -11.167 -11.537 1.513 1.00 55.15 H new ATOM 0 HD11 ILE A 10 -8.693 -15.227 2.081 1.00 15.51 H new ATOM 0 HD12 ILE A 10 -9.727 -15.207 3.530 1.00 15.51 H new ATOM 0 HD13 ILE A 10 -10.447 -14.974 1.919 1.00 15.51 H new ATOM 137 N GLY A 11 -11.489 -9.305 3.979 1.00 13.14 N ATOM 138 CA GLY A 11 -12.617 -8.487 4.385 1.00 72.31 C ATOM 139 C GLY A 11 -12.304 -7.628 5.595 1.00 33.55 C ATOM 140 O GLY A 11 -13.185 -6.955 6.130 1.00 5.25 O ATOM 0 H GLY A 11 -10.888 -8.885 3.270 1.00 13.14 H new ATOM 0 HA2 GLY A 11 -12.914 -7.846 3.555 1.00 72.31 H new ATOM 0 HA3 GLY A 11 -13.467 -9.131 4.611 1.00 72.31 H new ATOM 144 N GLU A 12 -11.048 -7.652 6.026 1.00 10.51 N ATOM 145 CA GLU A 12 -10.623 -6.870 7.182 1.00 30.43 C ATOM 146 C GLU A 12 -9.880 -5.612 6.745 1.00 75.34 C ATOM 147 O GLU A 12 -9.077 -5.627 5.811 1.00 73.02 O ATOM 148 CB GLU A 12 -9.728 -7.713 8.095 1.00 62.42 C ATOM 149 CG GLU A 12 -10.434 -8.917 8.693 1.00 53.41 C ATOM 150 CD GLU A 12 -11.823 -8.586 9.204 1.00 42.31 C ATOM 151 OE1 GLU A 12 -11.968 -7.568 9.912 1.00 4.14 O ATOM 152 OE2 GLU A 12 -12.765 -9.347 8.894 1.00 13.51 O ATOM 0 H GLU A 12 -10.307 -8.203 5.593 1.00 10.51 H new ATOM 0 HA GLU A 12 -11.514 -6.571 7.733 1.00 30.43 H new ATOM 0 HB2 GLU A 12 -8.863 -8.055 7.527 1.00 62.42 H new ATOM 0 HB3 GLU A 12 -9.352 -7.085 8.902 1.00 62.42 H new ATOM 0 HG2 GLU A 12 -10.506 -9.702 7.940 1.00 53.41 H new ATOM 0 HG3 GLU A 12 -9.835 -9.315 9.512 1.00 53.41 H new ATOM 157 N PRO A 13 -10.154 -4.494 7.434 1.00 75.31 N ATOM 158 CA PRO A 13 -9.522 -3.205 7.135 1.00 33.14 C ATOM 159 C PRO A 13 -8.042 -3.186 7.501 1.00 31.23 C ATOM 160 O PRO A 13 -7.632 -3.773 8.503 1.00 2.42 O ATOM 161 CB PRO A 13 -10.301 -2.218 8.008 1.00 31.30 C ATOM 162 CG PRO A 13 -10.828 -3.039 9.132 1.00 2.54 C ATOM 163 CD PRO A 13 -11.100 -4.402 8.559 1.00 42.25 C ATOM 0 HA PRO A 13 -9.554 -2.972 6.071 1.00 33.14 H new ATOM 0 HB2 PRO A 13 -9.657 -1.417 8.371 1.00 31.30 H new ATOM 0 HB3 PRO A 13 -11.110 -1.748 7.448 1.00 31.30 H new ATOM 0 HG2 PRO A 13 -10.105 -3.095 9.946 1.00 2.54 H new ATOM 0 HG3 PRO A 13 -11.737 -2.600 9.543 1.00 2.54 H new ATOM 0 HD2 PRO A 13 -10.928 -5.188 9.294 1.00 42.25 H new ATOM 0 HD3 PRO A 13 -12.133 -4.498 8.224 1.00 42.25 H new ATOM 168 N LEU A 14 -7.243 -2.508 6.684 1.00 14.34 N ATOM 169 CA LEU A 14 -5.808 -2.412 6.923 1.00 53.11 C ATOM 170 C LEU A 14 -5.274 -1.050 6.489 1.00 54.31 C ATOM 171 O LEU A 14 -5.708 -0.494 5.480 1.00 15.53 O ATOM 172 CB LEU A 14 -5.072 -3.524 6.174 1.00 52.32 C ATOM 173 CG LEU A 14 -3.609 -3.742 6.566 1.00 10.21 C ATOM 174 CD1 LEU A 14 -3.503 -4.154 8.026 1.00 43.10 C ATOM 175 CD2 LEU A 14 -2.967 -4.788 5.666 1.00 12.40 C ATOM 0 H LEU A 14 -7.565 -2.017 5.850 1.00 14.34 H new ATOM 0 HA LEU A 14 -5.633 -2.526 7.993 1.00 53.11 H new ATOM 0 HB2 LEU A 14 -5.612 -4.458 6.329 1.00 52.32 H new ATOM 0 HB3 LEU A 14 -5.113 -3.305 5.107 1.00 52.32 H new ATOM 0 HG LEU A 14 -3.073 -2.802 6.436 1.00 10.21 H new ATOM 0 HD11 LEU A 14 -2.455 -4.305 8.286 1.00 43.10 H new ATOM 0 HD12 LEU A 14 -3.925 -3.371 8.656 1.00 43.10 H new ATOM 0 HD13 LEU A 14 -4.053 -5.082 8.183 1.00 43.10 H new ATOM 0 HD21 LEU A 14 -1.927 -4.931 5.959 1.00 12.40 H new ATOM 0 HD22 LEU A 14 -3.504 -5.731 5.764 1.00 12.40 H new ATOM 0 HD23 LEU A 14 -3.010 -4.452 4.630 1.00 12.40 H new ATOM 186 N VAL A 15 -4.327 -0.519 7.257 1.00 43.31 N ATOM 187 CA VAL A 15 -3.731 0.775 6.951 1.00 30.22 C ATOM 188 C VAL A 15 -2.217 0.662 6.803 1.00 14.42 C ATOM 189 O VAL A 15 -1.572 -0.127 7.494 1.00 10.40 O ATOM 190 CB VAL A 15 -4.053 1.814 8.042 1.00 62.11 C ATOM 191 CG1 VAL A 15 -3.512 3.182 7.653 1.00 1.13 C ATOM 192 CG2 VAL A 15 -5.552 1.876 8.292 1.00 52.00 C ATOM 0 H VAL A 15 -3.957 -0.966 8.096 1.00 43.31 H new ATOM 0 HA VAL A 15 -4.162 1.106 6.006 1.00 30.22 H new ATOM 0 HB VAL A 15 -3.566 1.507 8.967 1.00 62.11 H new ATOM 0 HG11 VAL A 15 -3.749 3.903 8.435 1.00 1.13 H new ATOM 0 HG12 VAL A 15 -2.431 3.124 7.529 1.00 1.13 H new ATOM 0 HG13 VAL A 15 -3.968 3.501 6.716 1.00 1.13 H new ATOM 0 HG21 VAL A 15 -5.762 2.615 9.065 1.00 52.00 H new ATOM 0 HG22 VAL A 15 -6.063 2.159 7.372 1.00 52.00 H new ATOM 0 HG23 VAL A 15 -5.907 0.899 8.618 1.00 52.00 H new ATOM 202 N LEU A 16 -1.656 1.456 5.899 1.00 34.31 N ATOM 203 CA LEU A 16 -0.217 1.447 5.661 1.00 30.11 C ATOM 204 C LEU A 16 0.348 2.864 5.673 1.00 4.45 C ATOM 205 O LEU A 16 -0.325 3.815 5.272 1.00 22.42 O ATOM 206 CB LEU A 16 0.094 0.773 4.322 1.00 11.34 C ATOM 207 CG LEU A 16 -0.312 -0.695 4.200 1.00 62.00 C ATOM 208 CD1 LEU A 16 -0.235 -1.152 2.752 1.00 62.53 C ATOM 209 CD2 LEU A 16 0.569 -1.567 5.083 1.00 44.14 C ATOM 0 H LEU A 16 -2.175 2.114 5.318 1.00 34.31 H new ATOM 0 HA LEU A 16 0.255 0.882 6.465 1.00 30.11 H new ATOM 0 HB2 LEU A 16 -0.404 1.334 3.531 1.00 11.34 H new ATOM 0 HB3 LEU A 16 1.166 0.849 4.140 1.00 11.34 H new ATOM 0 HG LEU A 16 -1.344 -0.795 4.537 1.00 62.00 H new ATOM 0 HD11 LEU A 16 -0.528 -2.200 2.685 1.00 62.53 H new ATOM 0 HD12 LEU A 16 -0.908 -0.548 2.143 1.00 62.53 H new ATOM 0 HD13 LEU A 16 0.786 -1.037 2.388 1.00 62.53 H new ATOM 0 HD21 LEU A 16 0.266 -2.609 4.984 1.00 44.14 H new ATOM 0 HD22 LEU A 16 1.610 -1.461 4.776 1.00 44.14 H new ATOM 0 HD23 LEU A 16 0.464 -1.256 6.122 1.00 44.14 H new ATOM 220 N LYS A 17 1.586 2.999 6.133 1.00 12.20 N ATOM 221 CA LYS A 17 2.243 4.299 6.195 1.00 33.33 C ATOM 222 C LYS A 17 3.420 4.360 5.227 1.00 73.41 C ATOM 223 O LYS A 17 4.049 3.343 4.933 1.00 41.21 O ATOM 224 CB LYS A 17 2.724 4.584 7.619 1.00 51.12 C ATOM 225 CG LYS A 17 3.057 6.045 7.869 1.00 4.21 C ATOM 226 CD LYS A 17 3.040 6.374 9.352 1.00 60.32 C ATOM 227 CE LYS A 17 1.627 6.647 9.846 1.00 25.52 C ATOM 228 NZ LYS A 17 1.597 6.942 11.305 1.00 25.13 N ATOM 0 H LYS A 17 2.156 2.223 6.469 1.00 12.20 H new ATOM 0 HA LYS A 17 1.517 5.059 5.905 1.00 33.33 H new ATOM 0 HB2 LYS A 17 1.953 4.270 8.323 1.00 51.12 H new ATOM 0 HB3 LYS A 17 3.607 3.979 7.823 1.00 51.12 H new ATOM 0 HG2 LYS A 17 4.040 6.271 7.456 1.00 4.21 H new ATOM 0 HG3 LYS A 17 2.339 6.677 7.347 1.00 4.21 H new ATOM 0 HD2 LYS A 17 3.470 5.545 9.915 1.00 60.32 H new ATOM 0 HD3 LYS A 17 3.667 7.246 9.540 1.00 60.32 H new ATOM 0 HE2 LYS A 17 1.207 7.489 9.296 1.00 25.52 H new ATOM 0 HE3 LYS A 17 0.996 5.783 9.637 1.00 25.52 H new ATOM 0 HZ1 LYS A 17 0.617 7.122 11.603 1.00 25.13 H new ATOM 0 HZ2 LYS A 17 1.975 6.128 11.832 1.00 25.13 H new ATOM 0 HZ3 LYS A 17 2.179 7.782 11.501 1.00 25.13 H new ATOM 238 N CYS A 18 3.715 5.559 4.735 1.00 21.02 N ATOM 239 CA CYS A 18 4.818 5.753 3.801 1.00 34.03 C ATOM 240 C CYS A 18 5.979 6.477 4.475 1.00 53.21 C ATOM 241 O CYS A 18 5.965 7.700 4.618 1.00 52.41 O ATOM 242 CB CYS A 18 4.346 6.548 2.581 1.00 4.22 C ATOM 243 SG CYS A 18 2.933 5.800 1.709 1.00 2.11 S ATOM 0 H CYS A 18 3.205 6.411 4.968 1.00 21.02 H new ATOM 0 HA CYS A 18 5.164 4.772 3.476 1.00 34.03 H new ATOM 0 HB2 CYS A 18 4.072 7.554 2.900 1.00 4.22 H new ATOM 0 HB3 CYS A 18 5.177 6.650 1.883 1.00 4.22 H new ATOM 247 N LYS A 19 6.986 5.714 4.886 1.00 14.44 N ATOM 248 CA LYS A 19 8.158 6.280 5.544 1.00 71.22 C ATOM 249 C LYS A 19 8.782 7.380 4.690 1.00 51.11 C ATOM 250 O LYS A 19 9.059 7.180 3.509 1.00 64.11 O ATOM 251 CB LYS A 19 9.192 5.187 5.821 1.00 10.13 C ATOM 252 CG LYS A 19 8.599 3.931 6.435 1.00 41.42 C ATOM 253 CD LYS A 19 7.823 4.243 7.705 1.00 62.35 C ATOM 254 CE LYS A 19 8.742 4.731 8.814 1.00 21.22 C ATOM 255 NZ LYS A 19 8.020 4.880 10.107 1.00 40.13 N ATOM 0 H LYS A 19 7.014 4.700 4.775 1.00 14.44 H new ATOM 0 HA LYS A 19 7.837 6.715 6.490 1.00 71.22 H new ATOM 0 HB2 LYS A 19 9.690 4.925 4.888 1.00 10.13 H new ATOM 0 HB3 LYS A 19 9.956 5.583 6.490 1.00 10.13 H new ATOM 0 HG2 LYS A 19 7.939 3.449 5.714 1.00 41.42 H new ATOM 0 HG3 LYS A 19 9.397 3.223 6.660 1.00 41.42 H new ATOM 0 HD2 LYS A 19 7.070 5.002 7.495 1.00 62.35 H new ATOM 0 HD3 LYS A 19 7.292 3.351 8.037 1.00 62.35 H new ATOM 0 HE2 LYS A 19 9.567 4.029 8.937 1.00 21.22 H new ATOM 0 HE3 LYS A 19 9.178 5.688 8.529 1.00 21.22 H new ATOM 0 HZ1 LYS A 19 8.681 5.214 10.837 1.00 40.13 H new ATOM 0 HZ2 LYS A 19 7.249 5.569 9.997 1.00 40.13 H new ATOM 0 HZ3 LYS A 19 7.625 3.961 10.392 1.00 40.13 H new ATOM 265 N GLY A 20 9.002 8.542 5.299 1.00 41.41 N ATOM 266 CA GLY A 20 9.594 9.655 4.579 1.00 22.13 C ATOM 267 C GLY A 20 8.737 10.904 4.637 1.00 31.22 C ATOM 268 O GLY A 20 9.251 12.012 4.788 1.00 42.35 O ATOM 0 H GLY A 20 8.781 8.732 6.276 1.00 41.41 H new ATOM 0 HA2 GLY A 20 10.577 9.873 4.997 1.00 22.13 H new ATOM 0 HA3 GLY A 20 9.746 9.371 3.538 1.00 22.13 H new ATOM 272 N ALA A 21 7.425 10.726 4.517 1.00 0.24 N ATOM 273 CA ALA A 21 6.495 11.847 4.557 1.00 10.43 C ATOM 274 C ALA A 21 5.998 12.098 5.977 1.00 4.40 C ATOM 275 O ALA A 21 5.532 11.189 6.667 1.00 62.45 O ATOM 276 CB ALA A 21 5.323 11.594 3.621 1.00 31.13 C ATOM 0 H ALA A 21 6.983 9.816 4.391 1.00 0.24 H new ATOM 0 HA ALA A 21 7.025 12.739 4.224 1.00 10.43 H new ATOM 0 HB1 ALA A 21 4.636 12.440 3.661 1.00 31.13 H new ATOM 0 HB2 ALA A 21 5.691 11.473 2.602 1.00 31.13 H new ATOM 0 HB3 ALA A 21 4.801 10.688 3.928 1.00 31.13 H new ATOM 282 N PRO A 22 6.097 13.356 6.426 1.00 1.24 N ATOM 283 CA PRO A 22 5.661 13.754 7.769 1.00 43.02 C ATOM 284 C PRO A 22 4.144 13.716 7.922 1.00 54.31 C ATOM 285 O PRO A 22 3.442 13.131 7.098 1.00 5.01 O ATOM 286 CB PRO A 22 6.175 15.190 7.898 1.00 42.23 C ATOM 287 CG PRO A 22 6.274 15.684 6.496 1.00 64.21 C ATOM 288 CD PRO A 22 6.642 14.490 5.661 1.00 51.35 C ATOM 0 HA PRO A 22 6.041 13.080 8.537 1.00 43.02 H new ATOM 0 HB2 PRO A 22 5.493 15.803 8.487 1.00 42.23 H new ATOM 0 HB3 PRO A 22 7.143 15.221 8.398 1.00 42.23 H new ATOM 0 HG2 PRO A 22 5.328 16.114 6.166 1.00 64.21 H new ATOM 0 HG3 PRO A 22 7.027 16.467 6.411 1.00 64.21 H new ATOM 0 HD2 PRO A 22 6.206 14.548 4.664 1.00 51.35 H new ATOM 0 HD3 PRO A 22 7.721 14.407 5.533 1.00 51.35 H new ATOM 293 N LYS A 23 3.645 14.341 8.982 1.00 33.43 N ATOM 294 CA LYS A 23 2.211 14.382 9.242 1.00 45.24 C ATOM 295 C LYS A 23 1.443 14.811 7.996 1.00 43.13 C ATOM 296 O LYS A 23 0.466 14.171 7.605 1.00 43.44 O ATOM 297 CB LYS A 23 1.908 15.340 10.397 1.00 71.22 C ATOM 298 CG LYS A 23 2.684 16.644 10.323 1.00 22.33 C ATOM 299 CD LYS A 23 3.498 16.879 11.585 1.00 31.33 C ATOM 300 CE LYS A 23 4.235 18.209 11.532 1.00 64.53 C ATOM 301 NZ LYS A 23 3.573 19.244 12.375 1.00 51.45 N ATOM 0 H LYS A 23 4.213 14.827 9.676 1.00 33.43 H new ATOM 0 HA LYS A 23 1.889 13.378 9.517 1.00 45.24 H new ATOM 0 HB2 LYS A 23 0.841 15.562 10.404 1.00 71.22 H new ATOM 0 HB3 LYS A 23 2.137 14.843 11.340 1.00 71.22 H new ATOM 0 HG2 LYS A 23 3.348 16.625 9.459 1.00 22.33 H new ATOM 0 HG3 LYS A 23 1.992 17.473 10.175 1.00 22.33 H new ATOM 0 HD2 LYS A 23 2.839 16.861 12.453 1.00 31.33 H new ATOM 0 HD3 LYS A 23 4.216 16.069 11.713 1.00 31.33 H new ATOM 0 HE2 LYS A 23 5.262 18.069 11.869 1.00 64.53 H new ATOM 0 HE3 LYS A 23 4.283 18.557 10.500 1.00 64.53 H new ATOM 0 HZ1 LYS A 23 4.105 20.135 12.312 1.00 51.45 H new ATOM 0 HZ2 LYS A 23 2.601 19.397 12.038 1.00 51.45 H new ATOM 0 HZ3 LYS A 23 3.550 18.924 13.364 1.00 51.45 H new ATOM 311 N LYS A 24 1.891 15.896 7.375 1.00 63.14 N ATOM 312 CA LYS A 24 1.249 16.409 6.170 1.00 0.20 C ATOM 313 C LYS A 24 2.122 16.169 4.943 1.00 4.30 C ATOM 314 O LYS A 24 3.344 16.056 5.034 1.00 42.44 O ATOM 315 CB LYS A 24 0.960 17.905 6.320 1.00 43.51 C ATOM 316 CG LYS A 24 2.116 18.792 5.892 1.00 63.14 C ATOM 317 CD LYS A 24 3.334 18.589 6.780 1.00 31.34 C ATOM 318 CE LYS A 24 4.134 19.874 6.928 1.00 53.43 C ATOM 319 NZ LYS A 24 4.952 19.876 8.172 1.00 41.11 N ATOM 0 H LYS A 24 2.697 16.438 7.686 1.00 63.14 H new ATOM 0 HA LYS A 24 0.309 15.875 6.034 1.00 0.20 H new ATOM 0 HB2 LYS A 24 0.080 18.158 5.728 1.00 43.51 H new ATOM 0 HB3 LYS A 24 0.716 18.117 7.361 1.00 43.51 H new ATOM 0 HG2 LYS A 24 2.379 18.574 4.857 1.00 63.14 H new ATOM 0 HG3 LYS A 24 1.807 19.837 5.929 1.00 63.14 H new ATOM 0 HD2 LYS A 24 3.016 18.242 7.763 1.00 31.34 H new ATOM 0 HD3 LYS A 24 3.969 17.810 6.357 1.00 31.34 H new ATOM 0 HE2 LYS A 24 4.787 19.997 6.064 1.00 53.43 H new ATOM 0 HE3 LYS A 24 3.454 20.726 6.939 1.00 53.43 H new ATOM 0 HZ1 LYS A 24 5.707 20.587 8.090 1.00 41.11 H new ATOM 0 HZ2 LYS A 24 4.346 20.106 8.985 1.00 41.11 H new ATOM 0 HZ3 LYS A 24 5.375 18.936 8.311 1.00 41.11 H new ATOM 366 N ARG A 28 5.506 16.549 -3.940 1.00 11.11 N ATOM 367 CA ARG A 28 4.793 15.565 -4.745 1.00 72.25 C ATOM 368 C ARG A 28 5.294 14.154 -4.449 1.00 21.14 C ATOM 369 O ARG A 28 6.500 13.908 -4.403 1.00 12.34 O ATOM 370 CB ARG A 28 4.961 15.875 -6.234 1.00 73.41 C ATOM 371 CG ARG A 28 3.901 15.231 -7.113 1.00 75.50 C ATOM 372 CD ARG A 28 3.759 15.961 -8.440 1.00 55.55 C ATOM 373 NE ARG A 28 5.051 16.184 -9.083 1.00 73.52 N ATOM 374 CZ ARG A 28 5.219 16.963 -10.146 1.00 5.53 C ATOM 375 NH1 ARG A 28 4.181 17.591 -10.681 1.00 55.23 N ATOM 376 NH2 ARG A 28 6.427 17.116 -10.674 1.00 21.30 N ATOM 0 HA ARG A 28 3.736 15.618 -4.486 1.00 72.25 H new ATOM 0 HB2 ARG A 28 4.933 16.955 -6.377 1.00 73.41 H new ATOM 0 HB3 ARG A 28 5.945 15.536 -6.558 1.00 73.41 H new ATOM 0 HG2 ARG A 28 4.163 14.189 -7.296 1.00 75.50 H new ATOM 0 HG3 ARG A 28 2.944 15.233 -6.591 1.00 75.50 H new ATOM 0 HD2 ARG A 28 3.118 15.382 -9.105 1.00 55.55 H new ATOM 0 HD3 ARG A 28 3.266 16.919 -8.276 1.00 55.55 H new ATOM 0 HE ARG A 28 5.870 15.716 -8.695 1.00 73.52 H new ATOM 0 HH11 ARG A 28 3.252 17.476 -10.276 1.00 55.23 H new ATOM 0 HH12 ARG A 28 4.312 18.189 -11.497 1.00 55.23 H new ATOM 0 HH21 ARG A 28 7.228 16.635 -10.264 1.00 21.30 H new ATOM 0 HH22 ARG A 28 6.555 17.714 -11.490 1.00 21.30 H new ATOM 387 N LEU A 29 4.359 13.232 -4.248 1.00 12.02 N ATOM 388 CA LEU A 29 4.705 11.844 -3.956 1.00 31.51 C ATOM 389 C LEU A 29 3.812 10.885 -4.735 1.00 13.33 C ATOM 390 O LEU A 29 2.724 11.254 -5.175 1.00 2.41 O ATOM 391 CB LEU A 29 4.579 11.573 -2.455 1.00 45.53 C ATOM 392 CG LEU A 29 3.615 12.478 -1.688 1.00 55.31 C ATOM 393 CD1 LEU A 29 2.176 12.167 -2.067 1.00 31.52 C ATOM 394 CD2 LEU A 29 3.819 12.323 -0.188 1.00 4.24 C ATOM 0 H LEU A 29 3.357 13.419 -4.282 1.00 12.02 H new ATOM 0 HA LEU A 29 5.738 11.679 -4.264 1.00 31.51 H new ATOM 0 HB2 LEU A 29 4.262 10.539 -2.318 1.00 45.53 H new ATOM 0 HB3 LEU A 29 5.568 11.665 -2.005 1.00 45.53 H new ATOM 0 HG LEU A 29 3.824 13.513 -1.958 1.00 55.31 H new ATOM 0 HD11 LEU A 29 1.504 12.821 -1.511 1.00 31.52 H new ATOM 0 HD12 LEU A 29 2.038 12.329 -3.136 1.00 31.52 H new ATOM 0 HD13 LEU A 29 1.953 11.128 -1.826 1.00 31.52 H new ATOM 0 HD21 LEU A 29 3.125 12.974 0.343 1.00 4.24 H new ATOM 0 HD22 LEU A 29 3.637 11.287 0.099 1.00 4.24 H new ATOM 0 HD23 LEU A 29 4.842 12.596 0.070 1.00 4.24 H new ATOM 405 N GLU A 30 4.279 9.650 -4.900 1.00 35.01 N ATOM 406 CA GLU A 30 3.520 8.637 -5.625 1.00 75.42 C ATOM 407 C GLU A 30 3.480 7.327 -4.845 1.00 73.14 C ATOM 408 O GLU A 30 4.437 6.974 -4.155 1.00 20.42 O ATOM 409 CB GLU A 30 4.133 8.404 -7.007 1.00 60.22 C ATOM 410 CG GLU A 30 3.372 7.391 -7.846 1.00 10.52 C ATOM 411 CD GLU A 30 3.768 5.961 -7.534 1.00 45.30 C ATOM 412 OE1 GLU A 30 4.791 5.764 -6.845 1.00 3.41 O ATOM 413 OE2 GLU A 30 3.054 5.038 -7.978 1.00 62.41 O ATOM 0 H GLU A 30 5.178 9.328 -4.542 1.00 35.01 H new ATOM 0 HA GLU A 30 2.499 8.999 -5.745 1.00 75.42 H new ATOM 0 HB2 GLU A 30 4.171 9.352 -7.543 1.00 60.22 H new ATOM 0 HB3 GLU A 30 5.162 8.064 -6.887 1.00 60.22 H new ATOM 0 HG2 GLU A 30 2.302 7.513 -7.675 1.00 10.52 H new ATOM 0 HG3 GLU A 30 3.551 7.592 -8.902 1.00 10.52 H new ATOM 418 N TRP A 31 2.368 6.611 -4.960 1.00 33.44 N ATOM 419 CA TRP A 31 2.202 5.340 -4.266 1.00 21.14 C ATOM 420 C TRP A 31 1.883 4.220 -5.250 1.00 20.03 C ATOM 421 O TRP A 31 1.042 4.378 -6.136 1.00 22.41 O ATOM 422 CB TRP A 31 1.090 5.447 -3.220 1.00 51.45 C ATOM 423 CG TRP A 31 1.093 6.752 -2.484 1.00 34.04 C ATOM 424 CD1 TRP A 31 0.060 7.639 -2.386 1.00 14.03 C ATOM 425 CD2 TRP A 31 2.181 7.318 -1.744 1.00 4.32 C ATOM 426 NE1 TRP A 31 0.439 8.722 -1.628 1.00 74.15 N ATOM 427 CE2 TRP A 31 1.737 8.548 -1.223 1.00 5.15 C ATOM 428 CE3 TRP A 31 3.486 6.902 -1.469 1.00 75.40 C ATOM 429 CZ2 TRP A 31 2.552 9.366 -0.446 1.00 51.41 C ATOM 430 CZ3 TRP A 31 4.295 7.714 -0.697 1.00 12.21 C ATOM 431 CH2 TRP A 31 3.826 8.934 -0.193 1.00 41.01 C ATOM 0 H TRP A 31 1.567 6.889 -5.528 1.00 33.44 H new ATOM 0 HA TRP A 31 3.141 5.103 -3.766 1.00 21.14 H new ATOM 0 HB2 TRP A 31 0.125 5.317 -3.711 1.00 51.45 H new ATOM 0 HB3 TRP A 31 1.196 4.633 -2.503 1.00 51.45 H new ATOM 0 HD1 TRP A 31 -0.912 7.509 -2.838 1.00 14.03 H new ATOM 0 HE1 TRP A 31 -0.150 9.524 -1.404 1.00 74.15 H new ATOM 0 HE3 TRP A 31 3.856 5.963 -1.853 1.00 75.40 H new ATOM 0 HZ2 TRP A 31 2.192 10.307 -0.057 1.00 51.41 H new ATOM 0 HZ3 TRP A 31 5.306 7.403 -0.479 1.00 12.21 H new ATOM 0 HH2 TRP A 31 4.483 9.546 0.407 1.00 41.01 H new ATOM 441 N LYS A 32 2.559 3.087 -5.091 1.00 33.34 N ATOM 442 CA LYS A 32 2.348 1.939 -5.964 1.00 1.11 C ATOM 443 C LYS A 32 2.279 0.647 -5.157 1.00 62.01 C ATOM 444 O LYS A 32 3.058 0.444 -4.223 1.00 60.31 O ATOM 445 CB LYS A 32 3.469 1.848 -7.000 1.00 60.32 C ATOM 446 CG LYS A 32 3.029 1.238 -8.320 1.00 63.45 C ATOM 447 CD LYS A 32 4.024 1.534 -9.430 1.00 40.04 C ATOM 448 CE LYS A 32 5.286 0.696 -9.286 1.00 30.31 C ATOM 449 NZ LYS A 32 5.042 -0.736 -9.615 1.00 3.33 N ATOM 0 H LYS A 32 3.259 2.940 -4.364 1.00 33.34 H new ATOM 0 HA LYS A 32 1.397 2.075 -6.479 1.00 1.11 H new ATOM 0 HB2 LYS A 32 3.864 2.847 -7.185 1.00 60.32 H new ATOM 0 HB3 LYS A 32 4.285 1.254 -6.589 1.00 60.32 H new ATOM 0 HG2 LYS A 32 2.921 0.159 -8.205 1.00 63.45 H new ATOM 0 HG3 LYS A 32 2.049 1.629 -8.594 1.00 63.45 H new ATOM 0 HD2 LYS A 32 3.562 1.335 -10.397 1.00 40.04 H new ATOM 0 HD3 LYS A 32 4.285 2.592 -9.414 1.00 40.04 H new ATOM 0 HE2 LYS A 32 6.062 1.092 -9.941 1.00 30.31 H new ATOM 0 HE3 LYS A 32 5.660 0.775 -8.265 1.00 30.31 H new ATOM 0 HZ1 LYS A 32 5.952 -1.224 -9.737 1.00 3.33 H new ATOM 0 HZ2 LYS A 32 4.510 -1.184 -8.842 1.00 3.33 H new ATOM 0 HZ3 LYS A 32 4.493 -0.801 -10.496 1.00 3.33 H new ATOM 459 N LEU A 33 1.346 -0.225 -5.523 1.00 41.32 N ATOM 460 CA LEU A 33 1.178 -1.499 -4.833 1.00 4.31 C ATOM 461 C LEU A 33 0.927 -2.628 -5.828 1.00 62.11 C ATOM 462 O LEU A 33 0.176 -2.465 -6.789 1.00 54.05 O ATOM 463 CB LEU A 33 0.019 -1.415 -3.838 1.00 15.11 C ATOM 464 CG LEU A 33 -0.933 -0.233 -4.015 1.00 75.12 C ATOM 465 CD1 LEU A 33 -2.313 -0.573 -3.476 1.00 23.30 C ATOM 466 CD2 LEU A 33 -0.379 1.006 -3.325 1.00 25.14 C ATOM 0 H LEU A 33 0.695 -0.073 -6.293 1.00 41.32 H new ATOM 0 HA LEU A 33 2.099 -1.714 -4.291 1.00 4.31 H new ATOM 0 HB2 LEU A 33 -0.560 -2.336 -3.907 1.00 15.11 H new ATOM 0 HB3 LEU A 33 0.434 -1.374 -2.831 1.00 15.11 H new ATOM 0 HG LEU A 33 -1.024 -0.021 -5.080 1.00 75.12 H new ATOM 0 HD11 LEU A 33 -2.977 0.281 -3.611 1.00 23.30 H new ATOM 0 HD12 LEU A 33 -2.713 -1.432 -4.015 1.00 23.30 H new ATOM 0 HD13 LEU A 33 -2.240 -0.812 -2.415 1.00 23.30 H new ATOM 0 HD21 LEU A 33 -1.070 1.838 -3.461 1.00 25.14 H new ATOM 0 HD22 LEU A 33 -0.258 0.806 -2.260 1.00 25.14 H new ATOM 0 HD23 LEU A 33 0.588 1.262 -3.759 1.00 25.14 H new ATOM 477 N ASN A 34 1.559 -3.773 -5.588 1.00 62.51 N ATOM 478 CA ASN A 34 1.402 -4.930 -6.463 1.00 13.44 C ATOM 479 C ASN A 34 0.683 -6.064 -5.741 1.00 24.55 C ATOM 480 O ASN A 34 1.075 -6.468 -4.645 1.00 74.21 O ATOM 481 CB ASN A 34 2.768 -5.410 -6.956 1.00 33.01 C ATOM 482 CG ASN A 34 2.691 -6.067 -8.321 1.00 61.22 C ATOM 483 OD1 ASN A 34 1.923 -7.147 -8.416 1.00 23.24 O flip ATOM 484 ND2 ASN A 34 3.315 -5.609 -9.279 1.00 60.34 N flip ATOM 0 H ASN A 34 2.184 -3.924 -4.796 1.00 62.51 H new ATOM 0 HA ASN A 34 0.799 -4.628 -7.319 1.00 13.44 H new ATOM 0 HB2 ASN A 34 3.453 -4.563 -7.001 1.00 33.01 H new ATOM 0 HB3 ASN A 34 3.183 -6.118 -6.238 1.00 33.01 H new ATOM 0 HD21 ASN A 34 3.893 -4.777 -9.160 1.00 60.34 H new ATOM 0 HD22 ASN A 34 3.254 -6.062 -10.191 1.00 60.34 H new ATOM 490 N THR A 35 -0.376 -6.576 -6.363 1.00 0.44 N ATOM 491 CA THR A 35 -1.152 -7.665 -5.780 1.00 0.11 C ATOM 492 C THR A 35 -1.535 -8.693 -6.836 1.00 62.22 C ATOM 493 O THR A 35 -1.193 -8.550 -8.010 1.00 41.24 O ATOM 494 CB THR A 35 -2.432 -7.141 -5.102 1.00 11.42 C ATOM 495 OG1 THR A 35 -3.384 -6.740 -6.094 1.00 55.43 O ATOM 496 CG2 THR A 35 -2.118 -5.964 -4.189 1.00 45.24 C ATOM 0 H THR A 35 -0.715 -6.254 -7.269 1.00 0.44 H new ATOM 0 HA THR A 35 -0.519 -8.138 -5.029 1.00 0.11 H new ATOM 0 HB THR A 35 -2.853 -7.946 -4.500 1.00 11.42 H new ATOM 0 HG1 THR A 35 -4.195 -6.410 -5.654 1.00 55.43 H new ATOM 0 HG21 THR A 35 -3.037 -5.611 -3.721 1.00 45.24 H new ATOM 0 HG22 THR A 35 -1.416 -6.279 -3.417 1.00 45.24 H new ATOM 0 HG23 THR A 35 -1.676 -5.158 -4.774 1.00 45.24 H new ATOM 504 N GLY A 36 -2.250 -9.733 -6.414 1.00 51.14 N ATOM 505 CA GLY A 36 -2.669 -10.770 -7.337 1.00 61.13 C ATOM 506 C GLY A 36 -1.509 -11.617 -7.822 1.00 63.43 C ATOM 507 O GLY A 36 -0.709 -12.105 -7.023 1.00 33.42 O ATOM 0 H GLY A 36 -2.546 -9.875 -5.448 1.00 51.14 H new ATOM 0 HA2 GLY A 36 -3.404 -11.411 -6.850 1.00 61.13 H new ATOM 0 HA3 GLY A 36 -3.164 -10.312 -8.194 1.00 61.13 H new ATOM 511 N ARG A 37 -1.416 -11.793 -9.137 1.00 32.41 N ATOM 512 CA ARG A 37 -0.348 -12.589 -9.727 1.00 32.22 C ATOM 513 C ARG A 37 0.597 -11.711 -10.544 1.00 1.12 C ATOM 514 O ARG A 37 1.809 -11.927 -10.555 1.00 11.01 O ATOM 515 CB ARG A 37 -0.933 -13.689 -10.614 1.00 64.43 C ATOM 516 CG ARG A 37 -1.280 -14.961 -9.859 1.00 3.03 C ATOM 517 CD ARG A 37 -2.436 -14.737 -8.895 1.00 14.01 C ATOM 518 NE ARG A 37 -3.119 -15.985 -8.561 1.00 14.24 N ATOM 519 CZ ARG A 37 -4.145 -16.058 -7.720 1.00 53.45 C ATOM 520 NH1 ARG A 37 -4.603 -14.962 -7.131 1.00 51.34 N ATOM 521 NH2 ARG A 37 -4.714 -17.230 -7.467 1.00 35.22 N ATOM 0 H ARG A 37 -2.068 -11.395 -9.813 1.00 32.41 H new ATOM 0 HA ARG A 37 0.219 -13.048 -8.917 1.00 32.22 H new ATOM 0 HB2 ARG A 37 -1.831 -13.311 -11.103 1.00 64.43 H new ATOM 0 HB3 ARG A 37 -0.218 -13.928 -11.401 1.00 64.43 H new ATOM 0 HG2 ARG A 37 -1.542 -15.746 -10.568 1.00 3.03 H new ATOM 0 HG3 ARG A 37 -0.406 -15.308 -9.307 1.00 3.03 H new ATOM 0 HD2 ARG A 37 -2.062 -14.273 -7.982 1.00 14.01 H new ATOM 0 HD3 ARG A 37 -3.148 -14.041 -9.338 1.00 14.01 H new ATOM 0 HE ARG A 37 -2.790 -16.847 -8.997 1.00 14.24 H new ATOM 0 HH11 ARG A 37 -4.168 -14.060 -7.323 1.00 51.34 H new ATOM 0 HH12 ARG A 37 -5.391 -15.021 -6.486 1.00 51.34 H new ATOM 0 HH21 ARG A 37 -4.364 -18.075 -7.918 1.00 35.22 H new ATOM 0 HH22 ARG A 37 -5.502 -17.286 -6.821 1.00 35.22 H new ATOM 532 N THR A 38 0.032 -10.720 -11.227 1.00 71.33 N ATOM 533 CA THR A 38 0.824 -9.811 -12.046 1.00 62.40 C ATOM 534 C THR A 38 -0.059 -8.750 -12.696 1.00 74.42 C ATOM 535 O THR A 38 0.389 -7.630 -12.950 1.00 24.14 O ATOM 536 CB THR A 38 1.589 -10.569 -13.147 1.00 35.33 C ATOM 537 OG1 THR A 38 2.644 -9.748 -13.664 1.00 22.24 O ATOM 538 CG2 THR A 38 0.654 -10.973 -14.277 1.00 2.40 C ATOM 0 H THR A 38 -0.970 -10.527 -11.229 1.00 71.33 H new ATOM 0 HA THR A 38 1.541 -9.329 -11.382 1.00 62.40 H new ATOM 0 HB THR A 38 2.013 -11.472 -12.708 1.00 35.33 H new ATOM 0 HG1 THR A 38 3.127 -10.237 -14.362 1.00 22.24 H new ATOM 0 HG21 THR A 38 1.218 -11.507 -15.042 1.00 2.40 H new ATOM 0 HG22 THR A 38 -0.131 -11.621 -13.886 1.00 2.40 H new ATOM 0 HG23 THR A 38 0.204 -10.081 -14.713 1.00 2.40 H new ATOM 546 N GLU A 39 -1.311 -9.107 -12.960 1.00 62.44 N ATOM 547 CA GLU A 39 -2.254 -8.183 -13.581 1.00 40.44 C ATOM 548 C GLU A 39 -3.209 -7.603 -12.542 1.00 75.22 C ATOM 549 O GLU A 39 -4.376 -7.343 -12.833 1.00 4.31 O ATOM 550 CB GLU A 39 -3.047 -8.892 -14.679 1.00 24.13 C ATOM 551 CG GLU A 39 -2.202 -9.298 -15.876 1.00 4.42 C ATOM 552 CD GLU A 39 -2.796 -10.468 -16.639 1.00 35.31 C ATOM 553 OE1 GLU A 39 -4.039 -10.544 -16.731 1.00 4.23 O ATOM 554 OE2 GLU A 39 -2.017 -11.303 -17.144 1.00 11.13 O ATOM 0 H GLU A 39 -1.697 -10.029 -12.754 1.00 62.44 H new ATOM 0 HA GLU A 39 -1.686 -7.365 -14.024 1.00 40.44 H new ATOM 0 HB2 GLU A 39 -3.518 -9.781 -14.259 1.00 24.13 H new ATOM 0 HB3 GLU A 39 -3.849 -8.236 -15.017 1.00 24.13 H new ATOM 0 HG2 GLU A 39 -2.097 -8.446 -16.548 1.00 4.42 H new ATOM 0 HG3 GLU A 39 -1.200 -9.561 -15.537 1.00 4.42 H new ATOM 559 N ALA A 40 -2.703 -7.402 -11.329 1.00 11.32 N ATOM 560 CA ALA A 40 -3.510 -6.851 -10.248 1.00 25.35 C ATOM 561 C ALA A 40 -2.870 -5.593 -9.671 1.00 43.12 C ATOM 562 O ALA A 40 -3.452 -4.924 -8.816 1.00 25.40 O ATOM 563 CB ALA A 40 -3.711 -7.892 -9.155 1.00 75.41 C ATOM 0 H ALA A 40 -1.739 -7.613 -11.071 1.00 11.32 H new ATOM 0 HA ALA A 40 -4.482 -6.577 -10.657 1.00 25.35 H new ATOM 0 HB1 ALA A 40 -4.316 -7.466 -8.354 1.00 75.41 H new ATOM 0 HB2 ALA A 40 -4.219 -8.762 -9.570 1.00 75.41 H new ATOM 0 HB3 ALA A 40 -2.742 -8.194 -8.757 1.00 75.41 H new ATOM 569 N TRP A 41 -1.670 -5.277 -10.142 1.00 50.23 N ATOM 570 CA TRP A 41 -0.950 -4.099 -9.672 1.00 1.14 C ATOM 571 C TRP A 41 -1.751 -2.829 -9.936 1.00 51.10 C ATOM 572 O TRP A 41 -2.258 -2.622 -11.039 1.00 23.32 O ATOM 573 CB TRP A 41 0.417 -4.006 -10.352 1.00 31.43 C ATOM 574 CG TRP A 41 0.331 -3.705 -11.818 1.00 61.11 C ATOM 575 CD1 TRP A 41 -0.153 -4.527 -12.797 1.00 14.12 C ATOM 576 CD2 TRP A 41 0.742 -2.499 -12.472 1.00 43.32 C ATOM 577 NE1 TRP A 41 -0.067 -3.904 -14.019 1.00 4.32 N ATOM 578 CE2 TRP A 41 0.478 -2.659 -13.847 1.00 1.32 C ATOM 579 CE3 TRP A 41 1.306 -1.300 -12.030 1.00 33.43 C ATOM 580 CZ2 TRP A 41 0.759 -1.665 -14.779 1.00 54.23 C ATOM 581 CZ3 TRP A 41 1.585 -0.314 -12.957 1.00 71.11 C ATOM 582 CH2 TRP A 41 1.312 -0.500 -14.318 1.00 25.33 C ATOM 0 H TRP A 41 -1.174 -5.820 -10.849 1.00 50.23 H new ATOM 0 HA TRP A 41 -0.806 -4.198 -8.596 1.00 1.14 H new ATOM 0 HB2 TRP A 41 1.006 -3.230 -9.863 1.00 31.43 H new ATOM 0 HB3 TRP A 41 0.949 -4.947 -10.212 1.00 31.43 H new ATOM 0 HD1 TRP A 41 -0.545 -5.520 -12.634 1.00 14.12 H new ATOM 0 HE1 TRP A 41 -0.361 -4.304 -14.910 1.00 4.32 H new ATOM 0 HE3 TRP A 41 1.520 -1.146 -10.983 1.00 33.43 H new ATOM 0 HZ2 TRP A 41 0.549 -1.807 -15.829 1.00 54.23 H new ATOM 0 HZ3 TRP A 41 2.021 0.617 -12.626 1.00 71.11 H new ATOM 0 HH2 TRP A 41 1.542 0.290 -15.017 1.00 25.33 H new ATOM 592 N LYS A 42 -1.863 -1.982 -8.920 1.00 52.41 N ATOM 593 CA LYS A 42 -2.602 -0.732 -9.042 1.00 14.22 C ATOM 594 C LYS A 42 -1.757 0.448 -8.574 1.00 51.02 C ATOM 595 O LYS A 42 -0.871 0.296 -7.732 1.00 64.44 O ATOM 596 CB LYS A 42 -3.896 -0.798 -8.229 1.00 2.03 C ATOM 597 CG LYS A 42 -4.445 -2.206 -8.075 1.00 63.51 C ATOM 598 CD LYS A 42 -3.888 -2.889 -6.838 1.00 52.33 C ATOM 599 CE LYS A 42 -4.398 -2.236 -5.563 1.00 4.52 C ATOM 600 NZ LYS A 42 -5.885 -2.140 -5.544 1.00 62.31 N ATOM 0 H LYS A 42 -1.450 -2.139 -8.000 1.00 52.41 H new ATOM 0 HA LYS A 42 -2.848 -0.587 -10.094 1.00 14.22 H new ATOM 0 HB2 LYS A 42 -3.716 -0.377 -7.240 1.00 2.03 H new ATOM 0 HB3 LYS A 42 -4.649 -0.173 -8.709 1.00 2.03 H new ATOM 0 HG2 LYS A 42 -5.533 -2.169 -8.013 1.00 63.51 H new ATOM 0 HG3 LYS A 42 -4.196 -2.793 -8.959 1.00 63.51 H new ATOM 0 HD2 LYS A 42 -4.168 -3.942 -6.846 1.00 52.33 H new ATOM 0 HD3 LYS A 42 -2.799 -2.849 -6.858 1.00 52.33 H new ATOM 0 HE2 LYS A 42 -4.060 -2.811 -4.701 1.00 4.52 H new ATOM 0 HE3 LYS A 42 -3.969 -1.239 -5.469 1.00 4.52 H new ATOM 0 HZ1 LYS A 42 -6.230 -2.288 -4.574 1.00 62.31 H new ATOM 0 HZ2 LYS A 42 -6.176 -1.198 -5.875 1.00 62.31 H new ATOM 0 HZ3 LYS A 42 -6.288 -2.867 -6.169 1.00 62.31 H new ATOM 610 N VAL A 43 -2.035 1.626 -9.124 1.00 50.33 N ATOM 611 CA VAL A 43 -1.302 2.833 -8.761 1.00 61.50 C ATOM 612 C VAL A 43 -2.141 3.737 -7.867 1.00 14.22 C ATOM 613 O VAL A 43 -3.191 4.235 -8.277 1.00 11.01 O ATOM 614 CB VAL A 43 -0.869 3.624 -10.010 1.00 11.40 C ATOM 615 CG1 VAL A 43 -0.067 4.853 -9.612 1.00 24.41 C ATOM 616 CG2 VAL A 43 -0.067 2.736 -10.951 1.00 31.13 C ATOM 0 H VAL A 43 -2.763 1.770 -9.823 1.00 50.33 H new ATOM 0 HA VAL A 43 -0.414 2.512 -8.217 1.00 61.50 H new ATOM 0 HB VAL A 43 -1.764 3.958 -10.536 1.00 11.40 H new ATOM 0 HG11 VAL A 43 0.230 5.399 -10.507 1.00 24.41 H new ATOM 0 HG12 VAL A 43 -0.678 5.497 -8.980 1.00 24.41 H new ATOM 0 HG13 VAL A 43 0.823 4.545 -9.063 1.00 24.41 H new ATOM 0 HG21 VAL A 43 0.231 3.311 -11.828 1.00 31.13 H new ATOM 0 HG22 VAL A 43 0.822 2.371 -10.437 1.00 31.13 H new ATOM 0 HG23 VAL A 43 -0.679 1.890 -11.263 1.00 31.13 H new ATOM 626 N LEU A 44 -1.671 3.947 -6.640 1.00 25.15 N ATOM 627 CA LEU A 44 -2.380 4.793 -5.685 1.00 40.54 C ATOM 628 C LEU A 44 -1.815 6.210 -5.692 1.00 4.12 C ATOM 629 O LEU A 44 -0.617 6.411 -5.886 1.00 73.44 O ATOM 630 CB LEU A 44 -2.283 4.199 -4.279 1.00 70.13 C ATOM 631 CG LEU A 44 -3.078 2.916 -4.036 1.00 55.14 C ATOM 632 CD1 LEU A 44 -3.061 2.550 -2.560 1.00 1.03 C ATOM 633 CD2 LEU A 44 -4.508 3.073 -4.533 1.00 70.21 C ATOM 0 H LEU A 44 -0.804 3.544 -6.285 1.00 25.15 H new ATOM 0 HA LEU A 44 -3.428 4.838 -5.982 1.00 40.54 H new ATOM 0 HB2 LEU A 44 -1.234 3.999 -4.062 1.00 70.13 H new ATOM 0 HB3 LEU A 44 -2.618 4.951 -3.565 1.00 70.13 H new ATOM 0 HG LEU A 44 -2.607 2.107 -4.595 1.00 55.14 H new ATOM 0 HD11 LEU A 44 -3.632 1.634 -2.406 1.00 1.03 H new ATOM 0 HD12 LEU A 44 -2.032 2.395 -2.235 1.00 1.03 H new ATOM 0 HD13 LEU A 44 -3.507 3.358 -1.980 1.00 1.03 H new ATOM 0 HD21 LEU A 44 -5.059 2.150 -4.352 1.00 70.21 H new ATOM 0 HD22 LEU A 44 -4.990 3.894 -4.002 1.00 70.21 H new ATOM 0 HD23 LEU A 44 -4.500 3.287 -5.602 1.00 70.21 H new ATOM 644 N SER A 45 -2.688 7.190 -5.475 1.00 52.43 N ATOM 645 CA SER A 45 -2.277 8.589 -5.458 1.00 41.33 C ATOM 646 C SER A 45 -2.707 9.266 -4.160 1.00 2.25 C ATOM 647 O SER A 45 -3.639 8.830 -3.483 1.00 13.41 O ATOM 648 CB SER A 45 -2.872 9.332 -6.655 1.00 74.13 C ATOM 649 OG SER A 45 -4.011 10.083 -6.274 1.00 62.41 O ATOM 0 H SER A 45 -3.683 7.040 -5.309 1.00 52.43 H new ATOM 0 HA SER A 45 -1.189 8.623 -5.522 1.00 41.33 H new ATOM 0 HB2 SER A 45 -2.122 9.996 -7.084 1.00 74.13 H new ATOM 0 HB3 SER A 45 -3.147 8.617 -7.431 1.00 74.13 H new ATOM 0 HG SER A 45 -4.372 10.550 -7.057 1.00 62.41 H new ATOM 772 N ALA A 56 -9.345 0.577 -2.371 1.00 51.13 N ATOM 773 CA ALA A 56 -9.027 1.347 -1.175 1.00 52.44 C ATOM 774 C ALA A 56 -8.794 2.815 -1.512 1.00 23.54 C ATOM 775 O ALA A 56 -8.821 3.204 -2.680 1.00 33.33 O ATOM 776 CB ALA A 56 -7.806 0.762 -0.479 1.00 24.51 C ATOM 0 HA ALA A 56 -9.880 1.288 -0.499 1.00 52.44 H new ATOM 0 HB1 ALA A 56 -7.580 1.347 0.412 1.00 24.51 H new ATOM 0 HB2 ALA A 56 -8.010 -0.270 -0.194 1.00 24.51 H new ATOM 0 HB3 ALA A 56 -6.953 0.790 -1.157 1.00 24.51 H new ATOM 782 N ARG A 57 -8.566 3.625 -0.483 1.00 2.02 N ATOM 783 CA ARG A 57 -8.330 5.051 -0.671 1.00 54.22 C ATOM 784 C ARG A 57 -7.017 5.476 -0.020 1.00 12.03 C ATOM 785 O ARG A 57 -6.474 4.767 0.827 1.00 42.13 O ATOM 786 CB ARG A 57 -9.489 5.862 -0.087 1.00 73.42 C ATOM 787 CG ARG A 57 -10.196 5.171 1.065 1.00 12.14 C ATOM 788 CD ARG A 57 -11.608 5.703 1.252 1.00 24.10 C ATOM 789 NE ARG A 57 -11.753 6.446 2.502 1.00 40.15 N ATOM 790 CZ ARG A 57 -11.854 5.867 3.692 1.00 20.05 C ATOM 791 NH1 ARG A 57 -11.829 4.545 3.796 1.00 61.45 N ATOM 792 NH2 ARG A 57 -11.983 6.612 4.784 1.00 62.13 N ATOM 0 H ARG A 57 -8.540 3.318 0.489 1.00 2.02 H new ATOM 0 HA ARG A 57 -8.263 5.245 -1.741 1.00 54.22 H new ATOM 0 HB2 ARG A 57 -9.111 6.825 0.255 1.00 73.42 H new ATOM 0 HB3 ARG A 57 -10.213 6.066 -0.876 1.00 73.42 H new ATOM 0 HG2 ARG A 57 -10.232 4.097 0.880 1.00 12.14 H new ATOM 0 HG3 ARG A 57 -9.627 5.317 1.983 1.00 12.14 H new ATOM 0 HD2 ARG A 57 -11.865 6.350 0.414 1.00 24.10 H new ATOM 0 HD3 ARG A 57 -12.313 4.872 1.241 1.00 24.10 H new ATOM 0 HE ARG A 57 -11.778 7.465 2.458 1.00 40.15 H new ATOM 0 HH11 ARG A 57 -11.732 3.969 2.960 1.00 61.45 H new ATOM 0 HH12 ARG A 57 -11.907 4.104 4.712 1.00 61.45 H new ATOM 0 HH21 ARG A 57 -12.004 7.629 4.708 1.00 62.13 H new ATOM 0 HH22 ARG A 57 -12.061 6.167 5.699 1.00 62.13 H new ATOM 803 N VAL A 58 -6.514 6.639 -0.419 1.00 53.33 N ATOM 804 CA VAL A 58 -5.265 7.159 0.126 1.00 52.41 C ATOM 805 C VAL A 58 -5.519 8.354 1.038 1.00 10.41 C ATOM 806 O VAL A 58 -6.234 9.288 0.672 1.00 4.40 O ATOM 807 CB VAL A 58 -4.295 7.579 -0.994 1.00 72.40 C ATOM 808 CG1 VAL A 58 -2.968 8.038 -0.407 1.00 44.05 C ATOM 809 CG2 VAL A 58 -4.086 6.436 -1.976 1.00 20.24 C ATOM 0 H VAL A 58 -6.952 7.240 -1.118 1.00 53.33 H new ATOM 0 HA VAL A 58 -4.813 6.353 0.704 1.00 52.41 H new ATOM 0 HB VAL A 58 -4.735 8.416 -1.536 1.00 72.40 H new ATOM 0 HG11 VAL A 58 -2.295 8.331 -1.213 1.00 44.05 H new ATOM 0 HG12 VAL A 58 -3.137 8.890 0.252 1.00 44.05 H new ATOM 0 HG13 VAL A 58 -2.520 7.223 0.161 1.00 44.05 H new ATOM 0 HG21 VAL A 58 -3.398 6.751 -2.760 1.00 20.24 H new ATOM 0 HG22 VAL A 58 -3.669 5.577 -1.451 1.00 20.24 H new ATOM 0 HG23 VAL A 58 -5.042 6.160 -2.421 1.00 20.24 H new ATOM 819 N LEU A 59 -4.930 8.319 2.228 1.00 52.34 N ATOM 820 CA LEU A 59 -5.091 9.400 3.194 1.00 10.23 C ATOM 821 C LEU A 59 -4.388 10.666 2.718 1.00 50.15 C ATOM 822 O LEU A 59 -3.455 10.623 1.915 1.00 21.31 O ATOM 823 CB LEU A 59 -4.539 8.978 4.558 1.00 12.04 C ATOM 824 CG LEU A 59 -5.406 8.009 5.363 1.00 62.51 C ATOM 825 CD1 LEU A 59 -4.665 7.533 6.601 1.00 11.52 C ATOM 826 CD2 LEU A 59 -6.724 8.666 5.747 1.00 21.42 C ATOM 0 H LEU A 59 -4.336 7.553 2.547 1.00 52.34 H new ATOM 0 HA LEU A 59 -6.156 9.613 3.289 1.00 10.23 H new ATOM 0 HB2 LEU A 59 -3.562 8.519 4.406 1.00 12.04 H new ATOM 0 HB3 LEU A 59 -4.380 9.875 5.157 1.00 12.04 H new ATOM 0 HG LEU A 59 -5.624 7.142 4.739 1.00 62.51 H new ATOM 0 HD11 LEU A 59 -5.297 6.844 7.161 1.00 11.52 H new ATOM 0 HD12 LEU A 59 -3.749 7.023 6.303 1.00 11.52 H new ATOM 0 HD13 LEU A 59 -4.417 8.389 7.228 1.00 11.52 H new ATOM 0 HD21 LEU A 59 -7.328 7.962 6.319 1.00 21.42 H new ATOM 0 HD22 LEU A 59 -6.527 9.551 6.352 1.00 21.42 H new ATOM 0 HD23 LEU A 59 -7.262 8.956 4.845 1.00 21.42 H new ATOM 837 N PRO A 60 -4.842 11.822 3.224 1.00 51.44 N ATOM 838 CA PRO A 60 -4.268 13.124 2.866 1.00 42.13 C ATOM 839 C PRO A 60 -2.864 13.312 3.432 1.00 12.04 C ATOM 840 O PRO A 60 -2.085 14.118 2.926 1.00 73.31 O ATOM 841 CB PRO A 60 -5.239 14.124 3.497 1.00 62.43 C ATOM 842 CG PRO A 60 -5.866 13.384 4.627 1.00 33.51 C ATOM 843 CD PRO A 60 -5.950 11.949 4.185 1.00 10.04 C ATOM 0 HA PRO A 60 -4.157 13.240 1.788 1.00 42.13 H new ATOM 0 HB2 PRO A 60 -4.717 15.014 3.848 1.00 62.43 H new ATOM 0 HB3 PRO A 60 -5.988 14.456 2.778 1.00 62.43 H new ATOM 0 HG2 PRO A 60 -5.270 13.479 5.534 1.00 33.51 H new ATOM 0 HG3 PRO A 60 -6.855 13.782 4.853 1.00 33.51 H new ATOM 0 HD2 PRO A 60 -5.835 11.263 5.024 1.00 10.04 H new ATOM 0 HD3 PRO A 60 -6.911 11.727 3.721 1.00 10.04 H new ATOM 848 N ASN A 61 -2.550 12.565 4.486 1.00 64.13 N ATOM 849 CA ASN A 61 -1.240 12.652 5.120 1.00 32.31 C ATOM 850 C ASN A 61 -0.213 11.815 4.365 1.00 53.23 C ATOM 851 O ASN A 61 0.956 11.754 4.745 1.00 3.31 O ATOM 852 CB ASN A 61 -1.323 12.186 6.575 1.00 31.53 C ATOM 853 CG ASN A 61 -2.015 10.845 6.714 1.00 43.32 C ATOM 854 OD1 ASN A 61 -2.176 10.113 5.739 1.00 64.30 O ATOM 855 ND2 ASN A 61 -2.427 10.515 7.932 1.00 32.24 N ATOM 0 H ASN A 61 -3.184 11.893 4.918 1.00 64.13 H new ATOM 0 HA ASN A 61 -0.921 13.694 5.096 1.00 32.31 H new ATOM 0 HB2 ASN A 61 -0.317 12.117 6.990 1.00 31.53 H new ATOM 0 HB3 ASN A 61 -1.860 12.931 7.162 1.00 31.53 H new ATOM 0 HD21 ASN A 61 -2.898 9.624 8.087 1.00 32.24 H new ATOM 0 HD22 ASN A 61 -2.273 11.153 8.713 1.00 32.24 H new ATOM 861 N GLY A 62 -0.658 11.168 3.290 1.00 31.12 N ATOM 862 CA GLY A 62 0.234 10.342 2.498 1.00 14.24 C ATOM 863 C GLY A 62 0.204 8.887 2.920 1.00 65.32 C ATOM 864 O GLY A 62 1.152 8.143 2.673 1.00 53.22 O ATOM 0 H GLY A 62 -1.621 11.202 2.955 1.00 31.12 H new ATOM 0 HA2 GLY A 62 -0.043 10.418 1.447 1.00 14.24 H new ATOM 0 HA3 GLY A 62 1.252 10.722 2.588 1.00 14.24 H new ATOM 868 N SER A 63 -0.889 8.479 3.557 1.00 14.13 N ATOM 869 CA SER A 63 -1.037 7.105 4.018 1.00 71.12 C ATOM 870 C SER A 63 -2.023 6.340 3.140 1.00 32.23 C ATOM 871 O SER A 63 -2.594 6.894 2.199 1.00 20.03 O ATOM 872 CB SER A 63 -1.507 7.080 5.474 1.00 10.35 C ATOM 873 OG SER A 63 -0.427 7.308 6.363 1.00 33.42 O ATOM 0 H SER A 63 -1.685 9.082 3.765 1.00 14.13 H new ATOM 0 HA SER A 63 -0.064 6.619 3.950 1.00 71.12 H new ATOM 0 HB2 SER A 63 -2.273 7.840 5.625 1.00 10.35 H new ATOM 0 HB3 SER A 63 -1.966 6.116 5.695 1.00 10.35 H new ATOM 0 HG SER A 63 -0.754 7.289 7.287 1.00 33.42 H new ATOM 878 N LEU A 64 -2.220 5.065 3.455 1.00 33.44 N ATOM 879 CA LEU A 64 -3.138 4.222 2.696 1.00 52.13 C ATOM 880 C LEU A 64 -4.106 3.497 3.624 1.00 52.40 C ATOM 881 O LEU A 64 -3.695 2.874 4.603 1.00 2.33 O ATOM 882 CB LEU A 64 -2.358 3.207 1.861 1.00 74.02 C ATOM 883 CG LEU A 64 -3.151 2.001 1.355 1.00 14.21 C ATOM 884 CD1 LEU A 64 -4.250 2.447 0.404 1.00 4.34 C ATOM 885 CD2 LEU A 64 -2.226 1.002 0.676 1.00 64.13 C ATOM 0 H LEU A 64 -1.757 4.592 4.231 1.00 33.44 H new ATOM 0 HA LEU A 64 -3.714 4.864 2.030 1.00 52.13 H new ATOM 0 HB2 LEU A 64 -1.934 3.724 1.000 1.00 74.02 H new ATOM 0 HB3 LEU A 64 -1.522 2.842 2.458 1.00 74.02 H new ATOM 0 HG LEU A 64 -3.617 1.510 2.210 1.00 14.21 H new ATOM 0 HD11 LEU A 64 -4.804 1.576 0.054 1.00 4.34 H new ATOM 0 HD12 LEU A 64 -4.928 3.124 0.924 1.00 4.34 H new ATOM 0 HD13 LEU A 64 -3.807 2.962 -0.448 1.00 4.34 H new ATOM 0 HD21 LEU A 64 -2.807 0.150 0.322 1.00 64.13 H new ATOM 0 HD22 LEU A 64 -1.732 1.480 -0.169 1.00 64.13 H new ATOM 0 HD23 LEU A 64 -1.476 0.659 1.388 1.00 64.13 H new ATOM 896 N PHE A 65 -5.396 3.581 3.311 1.00 75.02 N ATOM 897 CA PHE A 65 -6.422 2.931 4.117 1.00 72.01 C ATOM 898 C PHE A 65 -7.275 1.999 3.262 1.00 51.43 C ATOM 899 O PHE A 65 -7.771 2.388 2.204 1.00 52.00 O ATOM 900 CB PHE A 65 -7.310 3.979 4.790 1.00 30.13 C ATOM 901 CG PHE A 65 -8.348 3.389 5.704 1.00 75.04 C ATOM 902 CD1 PHE A 65 -9.537 2.893 5.194 1.00 71.45 C ATOM 903 CD2 PHE A 65 -8.132 3.329 7.071 1.00 41.25 C ATOM 904 CE1 PHE A 65 -10.493 2.352 6.031 1.00 63.45 C ATOM 905 CE2 PHE A 65 -9.084 2.786 7.913 1.00 21.45 C ATOM 906 CZ PHE A 65 -10.266 2.297 7.392 1.00 51.24 C ATOM 0 H PHE A 65 -5.755 4.093 2.505 1.00 75.02 H new ATOM 0 HA PHE A 65 -5.925 2.338 4.885 1.00 72.01 H new ATOM 0 HB2 PHE A 65 -6.682 4.663 5.360 1.00 30.13 H new ATOM 0 HB3 PHE A 65 -7.808 4.569 4.021 1.00 30.13 H new ATOM 0 HD1 PHE A 65 -9.718 2.930 4.130 1.00 71.45 H new ATOM 0 HD2 PHE A 65 -7.210 3.711 7.483 1.00 41.25 H new ATOM 0 HE1 PHE A 65 -11.417 1.972 5.621 1.00 63.45 H new ATOM 0 HE2 PHE A 65 -8.904 2.744 8.977 1.00 21.45 H new ATOM 0 HZ PHE A 65 -11.011 1.872 8.048 1.00 51.24 H new ATOM 915 N LEU A 66 -7.441 0.765 3.728 1.00 75.42 N ATOM 916 CA LEU A 66 -8.233 -0.225 3.006 1.00 74.01 C ATOM 917 C LEU A 66 -9.478 -0.608 3.800 1.00 0.32 C ATOM 918 O LEU A 66 -9.408 -0.986 4.970 1.00 44.25 O ATOM 919 CB LEU A 66 -7.392 -1.471 2.722 1.00 21.34 C ATOM 920 CG LEU A 66 -6.146 -1.257 1.860 1.00 25.55 C ATOM 921 CD1 LEU A 66 -4.983 -0.781 2.714 1.00 54.50 C ATOM 922 CD2 LEU A 66 -5.782 -2.537 1.124 1.00 31.34 C ATOM 0 H LEU A 66 -7.038 0.427 4.602 1.00 75.42 H new ATOM 0 HA LEU A 66 -8.548 0.216 2.060 1.00 74.01 H new ATOM 0 HB2 LEU A 66 -7.081 -1.900 3.675 1.00 21.34 H new ATOM 0 HB3 LEU A 66 -8.026 -2.209 2.232 1.00 21.34 H new ATOM 0 HG LEU A 66 -6.366 -0.487 1.121 1.00 25.55 H new ATOM 0 HD11 LEU A 66 -4.105 -0.634 2.084 1.00 54.50 H new ATOM 0 HD12 LEU A 66 -5.246 0.161 3.195 1.00 54.50 H new ATOM 0 HD13 LEU A 66 -4.762 -1.528 3.476 1.00 54.50 H new ATOM 0 HD21 LEU A 66 -4.894 -2.367 0.516 1.00 31.34 H new ATOM 0 HD22 LEU A 66 -5.581 -3.328 1.847 1.00 31.34 H new ATOM 0 HD23 LEU A 66 -6.610 -2.835 0.481 1.00 31.34 H new ATOM 933 N PRO A 67 -10.648 -0.512 3.150 1.00 72.24 N ATOM 934 CA PRO A 67 -11.930 -0.847 3.774 1.00 33.43 C ATOM 935 C PRO A 67 -12.081 -2.343 4.023 1.00 1.22 C ATOM 936 O PRO A 67 -12.714 -2.761 4.993 1.00 4.11 O ATOM 937 CB PRO A 67 -12.959 -0.369 2.748 1.00 24.44 C ATOM 938 CG PRO A 67 -12.240 -0.402 1.444 1.00 45.14 C ATOM 939 CD PRO A 67 -10.807 -0.068 1.755 1.00 42.02 C ATOM 0 HA PRO A 67 -12.039 -0.384 4.755 1.00 33.43 H new ATOM 0 HB2 PRO A 67 -13.834 -1.018 2.734 1.00 24.44 H new ATOM 0 HB3 PRO A 67 -13.312 0.636 2.980 1.00 24.44 H new ATOM 0 HG2 PRO A 67 -12.320 -1.384 0.979 1.00 45.14 H new ATOM 0 HG3 PRO A 67 -12.666 0.318 0.745 1.00 45.14 H new ATOM 0 HD2 PRO A 67 -10.119 -0.587 1.087 1.00 42.02 H new ATOM 0 HD3 PRO A 67 -10.611 0.999 1.648 1.00 42.02 H new ATOM 944 N ALA A 68 -11.494 -3.146 3.142 1.00 13.14 N ATOM 945 CA ALA A 68 -11.560 -4.597 3.268 1.00 63.31 C ATOM 946 C ALA A 68 -10.586 -5.277 2.312 1.00 1.31 C ATOM 947 O ALA A 68 -10.857 -5.404 1.119 1.00 42.20 O ATOM 948 CB ALA A 68 -12.979 -5.085 3.012 1.00 33.44 C ATOM 0 H ALA A 68 -10.967 -2.816 2.333 1.00 13.14 H new ATOM 0 HA ALA A 68 -11.273 -4.861 4.286 1.00 63.31 H new ATOM 0 HB1 ALA A 68 -13.014 -6.170 3.109 1.00 33.44 H new ATOM 0 HB2 ALA A 68 -13.655 -4.634 3.738 1.00 33.44 H new ATOM 0 HB3 ALA A 68 -13.285 -4.801 2.005 1.00 33.44 H new ATOM 954 N VAL A 69 -9.448 -5.712 2.846 1.00 34.01 N ATOM 955 CA VAL A 69 -8.433 -6.379 2.041 1.00 73.11 C ATOM 956 C VAL A 69 -8.869 -7.789 1.663 1.00 64.10 C ATOM 957 O VAL A 69 -9.029 -8.653 2.525 1.00 53.42 O ATOM 958 CB VAL A 69 -7.085 -6.452 2.785 1.00 41.25 C ATOM 959 CG1 VAL A 69 -6.458 -5.070 2.892 1.00 31.32 C ATOM 960 CG2 VAL A 69 -7.271 -7.072 4.161 1.00 74.22 C ATOM 0 H VAL A 69 -9.207 -5.614 3.832 1.00 34.01 H new ATOM 0 HA VAL A 69 -8.308 -5.786 1.135 1.00 73.11 H new ATOM 0 HB VAL A 69 -6.407 -7.087 2.214 1.00 41.25 H new ATOM 0 HG11 VAL A 69 -5.507 -5.142 3.420 1.00 31.32 H new ATOM 0 HG12 VAL A 69 -6.289 -4.669 1.893 1.00 31.32 H new ATOM 0 HG13 VAL A 69 -7.128 -4.408 3.440 1.00 31.32 H new ATOM 0 HG21 VAL A 69 -6.310 -7.116 4.673 1.00 74.22 H new ATOM 0 HG22 VAL A 69 -7.965 -6.465 4.743 1.00 74.22 H new ATOM 0 HG23 VAL A 69 -7.672 -8.080 4.055 1.00 74.22 H new ATOM 970 N GLY A 70 -9.061 -8.018 0.366 1.00 13.53 N ATOM 971 CA GLY A 70 -9.478 -9.326 -0.103 1.00 11.01 C ATOM 972 C GLY A 70 -8.303 -10.240 -0.390 1.00 33.43 C ATOM 973 O GLY A 70 -7.173 -9.777 -0.547 1.00 72.11 O ATOM 0 H GLY A 70 -8.935 -7.320 -0.367 1.00 13.53 H new ATOM 0 HA2 GLY A 70 -10.121 -9.789 0.646 1.00 11.01 H new ATOM 0 HA3 GLY A 70 -10.075 -9.211 -1.008 1.00 11.01 H new ATOM 977 N ILE A 71 -8.570 -11.539 -0.458 1.00 64.15 N ATOM 978 CA ILE A 71 -7.526 -12.519 -0.729 1.00 42.32 C ATOM 979 C ILE A 71 -6.767 -12.176 -2.006 1.00 73.13 C ATOM 980 O ILE A 71 -5.573 -12.453 -2.124 1.00 41.52 O ATOM 981 CB ILE A 71 -8.107 -13.940 -0.857 1.00 45.22 C ATOM 982 CG1 ILE A 71 -7.097 -14.975 -0.355 1.00 40.14 C ATOM 983 CG2 ILE A 71 -8.493 -14.226 -2.300 1.00 22.22 C ATOM 984 CD1 ILE A 71 -7.108 -16.263 -1.148 1.00 21.01 C ATOM 0 H ILE A 71 -9.500 -11.938 -0.329 1.00 64.15 H new ATOM 0 HA ILE A 71 -6.840 -12.490 0.117 1.00 42.32 H new ATOM 0 HB ILE A 71 -9.004 -14.007 -0.241 1.00 45.22 H new ATOM 0 HG12 ILE A 71 -6.097 -14.543 -0.393 1.00 40.14 H new ATOM 0 HG13 ILE A 71 -7.308 -15.200 0.691 1.00 40.14 H new ATOM 0 HG21 ILE A 71 -8.902 -15.234 -2.374 1.00 22.22 H new ATOM 0 HG22 ILE A 71 -9.243 -13.505 -2.626 1.00 22.22 H new ATOM 0 HG23 ILE A 71 -7.611 -14.144 -2.936 1.00 22.22 H new ATOM 0 HD11 ILE A 71 -6.368 -16.950 -0.737 1.00 21.01 H new ATOM 0 HD12 ILE A 71 -8.097 -16.718 -1.090 1.00 21.01 H new ATOM 0 HD13 ILE A 71 -6.867 -16.051 -2.190 1.00 21.01 H new ATOM 995 N GLN A 72 -7.466 -11.568 -2.959 1.00 1.12 N ATOM 996 CA GLN A 72 -6.856 -11.185 -4.227 1.00 4.44 C ATOM 997 C GLN A 72 -6.017 -9.924 -4.068 1.00 34.50 C ATOM 998 O GLN A 72 -5.115 -9.661 -4.865 1.00 22.03 O ATOM 999 CB GLN A 72 -7.936 -10.965 -5.288 1.00 43.42 C ATOM 1000 CG GLN A 72 -8.981 -9.935 -4.889 1.00 44.22 C ATOM 1001 CD GLN A 72 -9.875 -9.532 -6.047 1.00 15.42 C ATOM 1002 OE1 GLN A 72 -10.066 -8.346 -6.312 1.00 23.12 O ATOM 1003 NE2 GLN A 72 -10.427 -10.521 -6.740 1.00 73.32 N ATOM 0 H GLN A 72 -8.455 -11.330 -2.877 1.00 1.12 H new ATOM 0 HA GLN A 72 -6.201 -11.995 -4.547 1.00 4.44 H new ATOM 0 HB2 GLN A 72 -7.462 -10.648 -6.217 1.00 43.42 H new ATOM 0 HB3 GLN A 72 -8.432 -11.914 -5.491 1.00 43.42 H new ATOM 0 HG2 GLN A 72 -9.595 -10.339 -4.084 1.00 44.22 H new ATOM 0 HG3 GLN A 72 -8.482 -9.050 -4.495 1.00 44.22 H new ATOM 0 HE21 GLN A 72 -10.240 -11.490 -6.483 1.00 73.32 H new ATOM 0 HE22 GLN A 72 -11.038 -10.312 -7.529 1.00 73.32 H new ATOM 1010 N ASP A 73 -6.319 -9.144 -3.036 1.00 42.23 N ATOM 1011 CA ASP A 73 -5.591 -7.908 -2.772 1.00 12.00 C ATOM 1012 C ASP A 73 -4.216 -8.202 -2.180 1.00 3.11 C ATOM 1013 O ASP A 73 -3.410 -7.296 -1.977 1.00 42.51 O ATOM 1014 CB ASP A 73 -6.388 -7.014 -1.821 1.00 41.22 C ATOM 1015 CG ASP A 73 -7.185 -5.954 -2.554 1.00 34.52 C ATOM 1016 OD1 ASP A 73 -6.581 -5.204 -3.351 1.00 70.11 O ATOM 1017 OD2 ASP A 73 -8.410 -5.872 -2.332 1.00 12.13 O ATOM 0 H ASP A 73 -7.063 -9.346 -2.368 1.00 42.23 H new ATOM 0 HA ASP A 73 -5.455 -7.387 -3.720 1.00 12.00 H new ATOM 0 HB2 ASP A 73 -7.066 -7.630 -1.230 1.00 41.22 H new ATOM 0 HB3 ASP A 73 -5.705 -6.532 -1.122 1.00 41.22 H new ATOM 1021 N GLU A 74 -3.956 -9.477 -1.904 1.00 63.21 N ATOM 1022 CA GLU A 74 -2.681 -9.892 -1.333 1.00 74.54 C ATOM 1023 C GLU A 74 -1.524 -9.506 -2.251 1.00 63.55 C ATOM 1024 O GLU A 74 -1.642 -9.563 -3.474 1.00 73.33 O ATOM 1025 CB GLU A 74 -2.671 -11.402 -1.089 1.00 35.41 C ATOM 1026 CG GLU A 74 -2.095 -11.796 0.260 1.00 42.04 C ATOM 1027 CD GLU A 74 -0.693 -12.364 0.153 1.00 54.11 C ATOM 1028 OE1 GLU A 74 0.264 -11.566 0.060 1.00 24.42 O ATOM 1029 OE2 GLU A 74 -0.552 -13.604 0.162 1.00 70.24 O ATOM 0 H GLU A 74 -4.613 -10.240 -2.067 1.00 63.21 H new ATOM 0 HA GLU A 74 -2.555 -9.378 -0.380 1.00 74.54 H new ATOM 0 HB2 GLU A 74 -3.690 -11.780 -1.164 1.00 35.41 H new ATOM 0 HB3 GLU A 74 -2.093 -11.885 -1.877 1.00 35.41 H new ATOM 0 HG2 GLU A 74 -2.081 -10.924 0.913 1.00 42.04 H new ATOM 0 HG3 GLU A 74 -2.747 -12.534 0.728 1.00 42.04 H new ATOM 1034 N GLY A 75 -0.405 -9.111 -1.651 1.00 44.10 N ATOM 1035 CA GLY A 75 0.757 -8.722 -2.428 1.00 53.43 C ATOM 1036 C GLY A 75 1.731 -7.877 -1.632 1.00 1.45 C ATOM 1037 O GLY A 75 1.850 -8.037 -0.416 1.00 53.32 O ATOM 0 H GLY A 75 -0.283 -9.054 -0.640 1.00 44.10 H new ATOM 0 HA2 GLY A 75 1.266 -9.616 -2.787 1.00 53.43 H new ATOM 0 HA3 GLY A 75 0.432 -8.165 -3.307 1.00 53.43 H new ATOM 1041 N ILE A 76 2.430 -6.979 -2.316 1.00 61.51 N ATOM 1042 CA ILE A 76 3.398 -6.106 -1.664 1.00 44.32 C ATOM 1043 C ILE A 76 3.116 -4.641 -1.976 1.00 34.44 C ATOM 1044 O ILE A 76 2.881 -4.274 -3.127 1.00 51.42 O ATOM 1045 CB ILE A 76 4.839 -6.443 -2.095 1.00 33.15 C ATOM 1046 CG1 ILE A 76 5.277 -7.779 -1.489 1.00 11.25 C ATOM 1047 CG2 ILE A 76 5.789 -5.330 -1.680 1.00 54.53 C ATOM 1048 CD1 ILE A 76 4.516 -8.967 -2.032 1.00 60.35 C ATOM 0 H ILE A 76 2.344 -6.836 -3.322 1.00 61.51 H new ATOM 0 HA ILE A 76 3.299 -6.271 -0.591 1.00 44.32 H new ATOM 0 HB ILE A 76 4.867 -6.532 -3.181 1.00 33.15 H new ATOM 0 HG12 ILE A 76 6.341 -7.923 -1.677 1.00 11.25 H new ATOM 0 HG13 ILE A 76 5.147 -7.738 -0.408 1.00 11.25 H new ATOM 0 HG21 ILE A 76 6.803 -5.582 -1.991 1.00 54.53 H new ATOM 0 HG22 ILE A 76 5.485 -4.397 -2.154 1.00 54.53 H new ATOM 0 HG23 ILE A 76 5.761 -5.212 -0.597 1.00 54.53 H new ATOM 0 HD11 ILE A 76 4.879 -9.879 -1.558 1.00 60.35 H new ATOM 0 HD12 ILE A 76 3.454 -8.846 -1.820 1.00 60.35 H new ATOM 0 HD13 ILE A 76 4.666 -9.034 -3.110 1.00 60.35 H new ATOM 1059 N PHE A 77 3.142 -3.807 -0.942 1.00 34.24 N ATOM 1060 CA PHE A 77 2.889 -2.380 -1.106 1.00 12.15 C ATOM 1061 C PHE A 77 4.192 -1.586 -1.053 1.00 43.45 C ATOM 1062 O PHE A 77 5.042 -1.825 -0.194 1.00 41.20 O ATOM 1063 CB PHE A 77 1.933 -1.881 -0.019 1.00 41.14 C ATOM 1064 CG PHE A 77 0.522 -2.362 -0.197 1.00 32.11 C ATOM 1065 CD1 PHE A 77 0.223 -3.712 -0.134 1.00 45.15 C ATOM 1066 CD2 PHE A 77 -0.506 -1.462 -0.428 1.00 23.01 C ATOM 1067 CE1 PHE A 77 -1.076 -4.158 -0.299 1.00 41.21 C ATOM 1068 CE2 PHE A 77 -1.807 -1.902 -0.593 1.00 12.31 C ATOM 1069 CZ PHE A 77 -2.091 -3.251 -0.529 1.00 44.11 C ATOM 0 H PHE A 77 3.335 -4.094 0.017 1.00 34.24 H new ATOM 0 HA PHE A 77 2.430 -2.229 -2.083 1.00 12.15 H new ATOM 0 HB2 PHE A 77 2.300 -2.207 0.954 1.00 41.14 H new ATOM 0 HB3 PHE A 77 1.939 -0.791 -0.013 1.00 41.14 H new ATOM 0 HD1 PHE A 77 1.013 -4.426 0.046 1.00 45.15 H new ATOM 0 HD2 PHE A 77 -0.289 -0.405 -0.480 1.00 23.01 H new ATOM 0 HE1 PHE A 77 -1.296 -5.214 -0.248 1.00 41.21 H new ATOM 0 HE2 PHE A 77 -2.600 -1.191 -0.772 1.00 12.31 H new ATOM 0 HZ PHE A 77 -3.106 -3.597 -0.659 1.00 44.11 H new ATOM 1078 N ARG A 78 4.342 -0.644 -1.978 1.00 71.11 N ATOM 1079 CA ARG A 78 5.542 0.181 -2.039 1.00 65.42 C ATOM 1080 C ARG A 78 5.182 1.664 -2.021 1.00 35.41 C ATOM 1081 O ARG A 78 4.275 2.103 -2.729 1.00 1.34 O ATOM 1082 CB ARG A 78 6.347 -0.143 -3.299 1.00 42.04 C ATOM 1083 CG ARG A 78 7.851 -0.162 -3.073 1.00 65.03 C ATOM 1084 CD ARG A 78 8.610 0.121 -4.360 1.00 44.04 C ATOM 1085 NE ARG A 78 8.010 1.214 -5.121 1.00 62.55 N ATOM 1086 CZ ARG A 78 8.039 2.483 -4.731 1.00 54.50 C ATOM 1087 NH1 ARG A 78 8.637 2.818 -3.596 1.00 25.32 N ATOM 1088 NH2 ARG A 78 7.471 3.421 -5.478 1.00 55.25 N ATOM 0 H ARG A 78 3.648 -0.433 -2.695 1.00 71.11 H new ATOM 0 HA ARG A 78 6.150 -0.040 -1.161 1.00 65.42 H new ATOM 0 HB2 ARG A 78 6.033 -1.115 -3.681 1.00 42.04 H new ATOM 0 HB3 ARG A 78 6.113 0.593 -4.069 1.00 42.04 H new ATOM 0 HG2 ARG A 78 8.117 0.581 -2.321 1.00 65.03 H new ATOM 0 HG3 ARG A 78 8.149 -1.134 -2.679 1.00 65.03 H new ATOM 0 HD2 ARG A 78 9.645 0.369 -4.123 1.00 44.04 H new ATOM 0 HD3 ARG A 78 8.631 -0.779 -4.974 1.00 44.04 H new ATOM 0 HE ARG A 78 7.543 0.990 -6.000 1.00 62.55 H new ATOM 0 HH11 ARG A 78 9.076 2.100 -3.020 1.00 25.32 H new ATOM 0 HH12 ARG A 78 8.658 3.794 -3.299 1.00 25.32 H new ATOM 0 HH21 ARG A 78 7.012 3.168 -6.353 1.00 55.25 H new ATOM 0 HH22 ARG A 78 7.494 4.395 -5.178 1.00 55.25 H new ATOM 1099 N CYS A 79 5.900 2.432 -1.207 1.00 12.43 N ATOM 1100 CA CYS A 79 5.657 3.865 -1.095 1.00 13.33 C ATOM 1101 C CYS A 79 6.903 4.659 -1.472 1.00 74.00 C ATOM 1102 O CYS A 79 8.028 4.210 -1.251 1.00 63.21 O ATOM 1103 CB CYS A 79 5.224 4.219 0.331 1.00 55.11 C ATOM 1104 SG CYS A 79 3.420 4.237 0.578 1.00 62.35 S ATOM 0 H CYS A 79 6.655 2.085 -0.615 1.00 12.43 H new ATOM 0 HA CYS A 79 4.857 4.129 -1.787 1.00 13.33 H new ATOM 0 HB2 CYS A 79 5.667 3.502 1.022 1.00 55.11 H new ATOM 0 HB3 CYS A 79 5.625 5.200 0.588 1.00 55.11 H new ATOM 1108 N GLN A 80 6.695 5.841 -2.041 1.00 61.35 N ATOM 1109 CA GLN A 80 7.802 6.699 -2.451 1.00 42.40 C ATOM 1110 C GLN A 80 7.488 8.164 -2.170 1.00 14.35 C ATOM 1111 O GLN A 80 6.431 8.666 -2.549 1.00 61.52 O ATOM 1112 CB GLN A 80 8.101 6.505 -3.937 1.00 61.11 C ATOM 1113 CG GLN A 80 9.005 7.580 -4.521 1.00 5.00 C ATOM 1114 CD GLN A 80 10.090 7.008 -5.413 1.00 32.32 C ATOM 1115 OE1 GLN A 80 9.918 6.899 -6.627 1.00 3.53 O ATOM 1116 NE2 GLN A 80 11.217 6.643 -4.814 1.00 3.51 N ATOM 0 H GLN A 80 5.770 6.228 -2.229 1.00 61.35 H new ATOM 0 HA GLN A 80 8.681 6.418 -1.871 1.00 42.40 H new ATOM 0 HB2 GLN A 80 8.569 5.531 -4.081 1.00 61.11 H new ATOM 0 HB3 GLN A 80 7.162 6.492 -4.490 1.00 61.11 H new ATOM 0 HG2 GLN A 80 8.402 8.284 -5.094 1.00 5.00 H new ATOM 0 HG3 GLN A 80 9.466 8.142 -3.709 1.00 5.00 H new ATOM 0 HE21 GLN A 80 11.316 6.751 -3.805 1.00 3.51 H new ATOM 0 HE22 GLN A 80 11.984 6.254 -5.363 1.00 3.51 H new ATOM 1123 N ALA A 81 8.413 8.844 -1.501 1.00 22.21 N ATOM 1124 CA ALA A 81 8.236 10.253 -1.170 1.00 71.31 C ATOM 1125 C ALA A 81 9.476 11.063 -1.534 1.00 51.42 C ATOM 1126 O ALA A 81 10.554 10.505 -1.742 1.00 43.05 O ATOM 1127 CB ALA A 81 7.915 10.412 0.309 1.00 64.31 C ATOM 0 H ALA A 81 9.293 8.442 -1.177 1.00 22.21 H new ATOM 0 HA ALA A 81 7.400 10.635 -1.755 1.00 71.31 H new ATOM 0 HB1 ALA A 81 7.786 11.469 0.542 1.00 64.31 H new ATOM 0 HB2 ALA A 81 6.996 9.874 0.542 1.00 64.31 H new ATOM 0 HB3 ALA A 81 8.733 10.007 0.904 1.00 64.31 H new ATOM 1133 N MET A 82 9.318 12.380 -1.607 1.00 41.33 N ATOM 1134 CA MET A 82 10.426 13.266 -1.944 1.00 45.34 C ATOM 1135 C MET A 82 10.524 14.417 -0.951 1.00 14.23 C ATOM 1136 O MET A 82 9.556 15.145 -0.733 1.00 35.45 O ATOM 1137 CB MET A 82 10.256 13.813 -3.363 1.00 0.23 C ATOM 1138 CG MET A 82 11.146 13.131 -4.390 1.00 12.12 C ATOM 1139 SD MET A 82 12.587 14.123 -4.828 1.00 21.15 S ATOM 1140 CE MET A 82 13.651 12.874 -5.545 1.00 32.52 C ATOM 0 H MET A 82 8.433 12.858 -1.437 1.00 41.33 H new ATOM 0 HA MET A 82 11.349 12.688 -1.893 1.00 45.34 H new ATOM 0 HB2 MET A 82 9.215 13.699 -3.665 1.00 0.23 H new ATOM 0 HB3 MET A 82 10.472 14.881 -3.360 1.00 0.23 H new ATOM 0 HG2 MET A 82 11.477 12.170 -3.997 1.00 12.12 H new ATOM 0 HG3 MET A 82 10.565 12.925 -5.289 1.00 12.12 H new ATOM 0 HE1 MET A 82 14.273 13.326 -6.317 1.00 32.52 H new ATOM 0 HE2 MET A 82 14.287 12.449 -4.769 1.00 32.52 H new ATOM 0 HE3 MET A 82 13.041 12.086 -5.986 1.00 32.52 H new ATOM 1148 N ASN A 83 11.698 14.577 -0.349 1.00 40.33 N ATOM 1149 CA ASN A 83 11.920 15.640 0.624 1.00 54.41 C ATOM 1150 C ASN A 83 12.347 16.932 -0.071 1.00 11.41 C ATOM 1151 O ASN A 83 12.604 16.945 -1.274 1.00 10.13 O ATOM 1152 CB ASN A 83 12.985 15.218 1.639 1.00 74.14 C ATOM 1153 CG ASN A 83 12.415 14.360 2.751 1.00 65.31 C ATOM 1154 OD1 ASN A 83 12.350 14.783 3.906 1.00 51.12 O ATOM 1155 ND2 ASN A 83 11.997 13.146 2.407 1.00 31.33 N ATOM 0 H ASN A 83 12.510 13.984 -0.518 1.00 40.33 H new ATOM 0 HA ASN A 83 10.981 15.822 1.147 1.00 54.41 H new ATOM 0 HB2 ASN A 83 13.774 14.667 1.126 1.00 74.14 H new ATOM 0 HB3 ASN A 83 13.445 16.107 2.069 1.00 74.14 H new ATOM 0 HD21 ASN A 83 11.603 12.523 3.112 1.00 31.33 H new ATOM 0 HD22 ASN A 83 12.070 12.837 1.438 1.00 31.33 H new ATOM 1161 N ARG A 84 12.420 18.013 0.699 1.00 24.20 N ATOM 1162 CA ARG A 84 12.816 19.308 0.158 1.00 31.33 C ATOM 1163 C ARG A 84 14.303 19.325 -0.182 1.00 61.41 C ATOM 1164 O ARG A 84 14.766 20.174 -0.943 1.00 12.14 O ATOM 1165 CB ARG A 84 12.497 20.421 1.160 1.00 61.44 C ATOM 1166 CG ARG A 84 13.427 20.441 2.362 1.00 42.21 C ATOM 1167 CD ARG A 84 12.833 21.238 3.511 1.00 33.45 C ATOM 1168 NE ARG A 84 11.933 20.432 4.331 1.00 23.33 N ATOM 1169 CZ ARG A 84 11.275 20.905 5.383 1.00 24.13 C ATOM 1170 NH1 ARG A 84 11.413 22.173 5.742 1.00 55.43 N ATOM 1171 NH2 ARG A 84 10.473 20.108 6.080 1.00 70.53 N ATOM 0 H ARG A 84 12.211 18.018 1.697 1.00 24.20 H new ATOM 0 HA ARG A 84 12.251 19.479 -0.758 1.00 31.33 H new ATOM 0 HB2 ARG A 84 12.553 21.383 0.652 1.00 61.44 H new ATOM 0 HB3 ARG A 84 11.470 20.303 1.507 1.00 61.44 H new ATOM 0 HG2 ARG A 84 13.623 19.420 2.689 1.00 42.21 H new ATOM 0 HG3 ARG A 84 14.386 20.873 2.075 1.00 42.21 H new ATOM 0 HD2 ARG A 84 13.637 21.630 4.134 1.00 33.45 H new ATOM 0 HD3 ARG A 84 12.290 22.096 3.114 1.00 33.45 H new ATOM 0 HE ARG A 84 11.803 19.452 4.082 1.00 23.33 H new ATOM 0 HH11 ARG A 84 12.027 22.790 5.210 1.00 55.43 H new ATOM 0 HH12 ARG A 84 10.906 22.532 6.551 1.00 55.43 H new ATOM 0 HH21 ARG A 84 10.362 19.131 5.807 1.00 70.53 H new ATOM 0 HH22 ARG A 84 9.968 20.473 6.888 1.00 70.53 H new ATOM 1182 N ASN A 85 15.045 18.381 0.386 1.00 52.33 N ATOM 1183 CA ASN A 85 16.480 18.288 0.145 1.00 60.35 C ATOM 1184 C ASN A 85 16.762 17.761 -1.260 1.00 35.52 C ATOM 1185 O ASN A 85 17.855 17.944 -1.795 1.00 65.01 O ATOM 1186 CB ASN A 85 17.136 17.376 1.184 1.00 51.24 C ATOM 1187 CG ASN A 85 16.822 17.802 2.606 1.00 64.03 C ATOM 1188 OD1 ASN A 85 16.158 17.079 3.349 1.00 24.53 O ATOM 1189 ND2 ASN A 85 17.300 18.979 2.990 1.00 21.14 N ATOM 0 H ASN A 85 14.676 17.669 1.017 1.00 52.33 H new ATOM 0 HA ASN A 85 16.903 19.289 0.232 1.00 60.35 H new ATOM 0 HB2 ASN A 85 16.796 16.352 1.031 1.00 51.24 H new ATOM 0 HB3 ASN A 85 18.216 17.379 1.036 1.00 51.24 H new ATOM 0 HD21 ASN A 85 17.122 19.318 3.935 1.00 21.14 H new ATOM 0 HD22 ASN A 85 17.846 19.545 2.340 1.00 21.14 H new ATOM 1195 N GLY A 86 15.767 17.108 -1.852 1.00 43.32 N ATOM 1196 CA GLY A 86 15.927 16.565 -3.187 1.00 43.24 C ATOM 1197 C GLY A 86 15.997 15.050 -3.194 1.00 74.23 C ATOM 1198 O GLY A 86 15.841 14.418 -4.239 1.00 72.41 O ATOM 0 H GLY A 86 14.853 16.946 -1.430 1.00 43.32 H new ATOM 0 HA2 GLY A 86 15.094 16.890 -3.810 1.00 43.24 H new ATOM 0 HA3 GLY A 86 16.835 16.969 -3.634 1.00 43.24 H new ATOM 1202 N LYS A 87 16.236 14.466 -2.026 1.00 75.00 N ATOM 1203 CA LYS A 87 16.329 13.017 -1.899 1.00 72.12 C ATOM 1204 C LYS A 87 14.947 12.397 -1.721 1.00 62.44 C ATOM 1205 O LYS A 87 14.058 13.001 -1.122 1.00 60.11 O ATOM 1206 CB LYS A 87 17.223 12.643 -0.714 1.00 64.42 C ATOM 1207 CG LYS A 87 18.694 12.528 -1.075 1.00 40.44 C ATOM 1208 CD LYS A 87 19.266 13.863 -1.521 1.00 22.30 C ATOM 1209 CE LYS A 87 19.212 14.893 -0.403 1.00 71.52 C ATOM 1210 NZ LYS A 87 20.261 15.938 -0.561 1.00 70.45 N ATOM 0 H LYS A 87 16.369 14.975 -1.152 1.00 75.00 H new ATOM 0 HA LYS A 87 16.769 12.625 -2.816 1.00 72.12 H new ATOM 0 HB2 LYS A 87 17.107 13.393 0.069 1.00 64.42 H new ATOM 0 HB3 LYS A 87 16.884 11.694 -0.299 1.00 64.42 H new ATOM 0 HG2 LYS A 87 19.253 12.161 -0.214 1.00 40.44 H new ATOM 0 HG3 LYS A 87 18.818 11.794 -1.871 1.00 40.44 H new ATOM 0 HD2 LYS A 87 20.298 13.728 -1.844 1.00 22.30 H new ATOM 0 HD3 LYS A 87 18.708 14.230 -2.383 1.00 22.30 H new ATOM 0 HE2 LYS A 87 18.229 15.364 -0.390 1.00 71.52 H new ATOM 0 HE3 LYS A 87 19.339 14.394 0.558 1.00 71.52 H new ATOM 0 HZ1 LYS A 87 20.191 16.621 0.220 1.00 70.45 H new ATOM 0 HZ2 LYS A 87 21.200 15.492 -0.548 1.00 70.45 H new ATOM 0 HZ3 LYS A 87 20.125 16.432 -1.466 1.00 70.45 H new ATOM 1220 N GLU A 88 14.773 11.188 -2.247 1.00 54.13 N ATOM 1221 CA GLU A 88 13.499 10.487 -2.144 1.00 64.43 C ATOM 1222 C GLU A 88 13.573 9.370 -1.107 1.00 24.10 C ATOM 1223 O GLU A 88 14.610 8.724 -0.947 1.00 14.02 O ATOM 1224 CB GLU A 88 13.099 9.910 -3.505 1.00 45.52 C ATOM 1225 CG GLU A 88 13.710 8.548 -3.791 1.00 72.22 C ATOM 1226 CD GLU A 88 15.225 8.568 -3.752 1.00 3.44 C ATOM 1227 OE1 GLU A 88 15.819 9.521 -4.299 1.00 13.43 O ATOM 1228 OE2 GLU A 88 15.818 7.631 -3.176 1.00 30.31 O ATOM 0 H GLU A 88 15.498 10.675 -2.748 1.00 54.13 H new ATOM 0 HA GLU A 88 12.743 11.205 -1.824 1.00 64.43 H new ATOM 0 HB2 GLU A 88 12.013 9.829 -3.551 1.00 45.52 H new ATOM 0 HB3 GLU A 88 13.400 10.606 -4.288 1.00 45.52 H new ATOM 0 HG2 GLU A 88 13.341 7.828 -3.061 1.00 72.22 H new ATOM 0 HG3 GLU A 88 13.380 8.205 -4.772 1.00 72.22 H new ATOM 1233 N THR A 89 12.467 9.147 -0.405 1.00 35.55 N ATOM 1234 CA THR A 89 12.405 8.113 0.618 1.00 63.25 C ATOM 1235 C THR A 89 11.698 6.867 0.097 1.00 45.00 C ATOM 1236 O THR A 89 10.629 6.954 -0.507 1.00 2.31 O ATOM 1237 CB THR A 89 11.678 8.611 1.880 1.00 15.41 C ATOM 1238 OG1 THR A 89 11.761 10.039 1.962 1.00 53.41 O ATOM 1239 CG2 THR A 89 12.280 7.991 3.132 1.00 14.01 C ATOM 0 H THR A 89 11.600 9.671 -0.527 1.00 35.55 H new ATOM 0 HA THR A 89 13.434 7.864 0.877 1.00 63.25 H new ATOM 0 HB THR A 89 10.632 8.311 1.812 1.00 15.41 H new ATOM 0 HG1 THR A 89 11.963 10.303 2.884 1.00 53.41 H new ATOM 0 HG21 THR A 89 11.750 8.358 4.011 1.00 14.01 H new ATOM 0 HG22 THR A 89 12.189 6.906 3.080 1.00 14.01 H new ATOM 0 HG23 THR A 89 13.333 8.264 3.203 1.00 14.01 H new ATOM 1247 N LYS A 90 12.301 5.707 0.335 1.00 4.21 N ATOM 1248 CA LYS A 90 11.728 4.441 -0.108 1.00 23.53 C ATOM 1249 C LYS A 90 10.984 3.751 1.031 1.00 54.13 C ATOM 1250 O LYS A 90 11.389 3.838 2.191 1.00 31.03 O ATOM 1251 CB LYS A 90 12.826 3.521 -0.646 1.00 24.42 C ATOM 1252 CG LYS A 90 14.029 3.407 0.274 1.00 1.32 C ATOM 1253 CD LYS A 90 14.983 2.319 -0.187 1.00 4.52 C ATOM 1254 CE LYS A 90 15.055 2.247 -1.704 1.00 71.43 C ATOM 1255 NZ LYS A 90 16.140 1.337 -2.166 1.00 34.25 N ATOM 0 H LYS A 90 13.187 5.617 0.832 1.00 4.21 H new ATOM 0 HA LYS A 90 11.017 4.653 -0.906 1.00 23.53 H new ATOM 0 HB2 LYS A 90 12.408 2.527 -0.809 1.00 24.42 H new ATOM 0 HB3 LYS A 90 13.155 3.891 -1.617 1.00 24.42 H new ATOM 0 HG2 LYS A 90 14.554 4.362 0.308 1.00 1.32 H new ATOM 0 HG3 LYS A 90 13.693 3.192 1.288 1.00 1.32 H new ATOM 0 HD2 LYS A 90 15.977 2.510 0.217 1.00 4.52 H new ATOM 0 HD3 LYS A 90 14.658 1.357 0.209 1.00 4.52 H new ATOM 0 HE2 LYS A 90 14.099 1.901 -2.097 1.00 71.43 H new ATOM 0 HE3 LYS A 90 15.222 3.246 -2.107 1.00 71.43 H new ATOM 0 HZ1 LYS A 90 16.156 1.316 -3.206 1.00 34.25 H new ATOM 0 HZ2 LYS A 90 17.056 1.681 -1.813 1.00 34.25 H new ATOM 0 HZ3 LYS A 90 15.967 0.378 -1.803 1.00 34.25 H new ATOM 1265 N SER A 91 9.898 3.065 0.693 1.00 24.23 N ATOM 1266 CA SER A 91 9.097 2.362 1.691 1.00 63.24 C ATOM 1267 C SER A 91 8.535 1.065 1.117 1.00 3.21 C ATOM 1268 O SER A 91 7.910 1.060 0.057 1.00 24.22 O ATOM 1269 CB SER A 91 7.955 3.255 2.179 1.00 24.11 C ATOM 1270 OG SER A 91 8.400 4.146 3.187 1.00 23.12 O ATOM 0 H SER A 91 9.552 2.980 -0.263 1.00 24.23 H new ATOM 0 HA SER A 91 9.742 2.117 2.535 1.00 63.24 H new ATOM 0 HB2 SER A 91 7.549 3.822 1.341 1.00 24.11 H new ATOM 0 HB3 SER A 91 7.146 2.636 2.567 1.00 24.11 H new ATOM 0 HG SER A 91 8.455 5.053 2.821 1.00 23.12 H new ATOM 1275 N ASN A 92 8.762 -0.035 1.827 1.00 40.40 N ATOM 1276 CA ASN A 92 8.279 -1.341 1.391 1.00 72.35 C ATOM 1277 C ASN A 92 7.500 -2.033 2.504 1.00 13.43 C ATOM 1278 O ASN A 92 8.027 -2.267 3.593 1.00 70.51 O ATOM 1279 CB ASN A 92 9.451 -2.220 0.951 1.00 62.43 C ATOM 1280 CG ASN A 92 8.995 -3.545 0.370 1.00 4.14 C ATOM 1281 OD1 ASN A 92 9.186 -4.600 0.978 1.00 32.20 O ATOM 1282 ND2 ASN A 92 8.387 -3.497 -0.809 1.00 0.30 N ATOM 0 H ASN A 92 9.277 -0.049 2.707 1.00 40.40 H new ATOM 0 HA ASN A 92 7.609 -1.189 0.545 1.00 72.35 H new ATOM 0 HB2 ASN A 92 10.043 -1.686 0.208 1.00 62.43 H new ATOM 0 HB3 ASN A 92 10.103 -2.406 1.805 1.00 62.43 H new ATOM 0 HD21 ASN A 92 8.056 -4.356 -1.248 1.00 0.30 H new ATOM 0 HD22 ASN A 92 8.250 -2.601 -1.276 1.00 0.30 H new ATOM 1288 N TYR A 93 6.243 -2.359 2.224 1.00 11.55 N ATOM 1289 CA TYR A 93 5.391 -3.023 3.203 1.00 4.31 C ATOM 1290 C TYR A 93 4.752 -4.276 2.610 1.00 75.42 C ATOM 1291 O TYR A 93 4.112 -4.220 1.558 1.00 2.12 O ATOM 1292 CB TYR A 93 4.301 -2.067 3.695 1.00 75.53 C ATOM 1293 CG TYR A 93 4.767 -1.130 4.786 1.00 2.32 C ATOM 1294 CD1 TYR A 93 5.780 -0.208 4.554 1.00 40.50 C ATOM 1295 CD2 TYR A 93 4.192 -1.166 6.051 1.00 2.32 C ATOM 1296 CE1 TYR A 93 6.208 0.649 5.549 1.00 12.44 C ATOM 1297 CE2 TYR A 93 4.613 -0.313 7.052 1.00 75.22 C ATOM 1298 CZ TYR A 93 5.621 0.593 6.796 1.00 53.43 C ATOM 1299 OH TYR A 93 6.045 1.446 7.790 1.00 62.42 O ATOM 0 H TYR A 93 5.792 -2.174 1.328 1.00 11.55 H new ATOM 0 HA TYR A 93 6.015 -3.319 4.047 1.00 4.31 H new ATOM 0 HB2 TYR A 93 3.938 -1.479 2.852 1.00 75.53 H new ATOM 0 HB3 TYR A 93 3.457 -2.650 4.064 1.00 75.53 H new ATOM 0 HD1 TYR A 93 6.241 -0.161 3.578 1.00 40.50 H new ATOM 0 HD2 TYR A 93 3.402 -1.874 6.255 1.00 2.32 H new ATOM 0 HE1 TYR A 93 6.998 1.359 5.352 1.00 12.44 H new ATOM 0 HE2 TYR A 93 4.156 -0.355 8.030 1.00 75.22 H new ATOM 0 HH TYR A 93 5.529 1.279 8.606 1.00 62.42 H new ATOM 1308 N ARG A 94 4.931 -5.402 3.290 1.00 1.54 N ATOM 1309 CA ARG A 94 4.374 -6.669 2.830 1.00 14.24 C ATOM 1310 C ARG A 94 2.972 -6.883 3.394 1.00 42.10 C ATOM 1311 O ARG A 94 2.740 -6.711 4.591 1.00 60.40 O ATOM 1312 CB ARG A 94 5.283 -7.829 3.241 1.00 2.25 C ATOM 1313 CG ARG A 94 6.763 -7.488 3.198 1.00 33.44 C ATOM 1314 CD ARG A 94 7.248 -7.293 1.771 1.00 72.31 C ATOM 1315 NE ARG A 94 7.369 -8.560 1.056 1.00 11.21 N ATOM 1316 CZ ARG A 94 8.292 -9.475 1.333 1.00 21.22 C ATOM 1317 NH1 ARG A 94 9.169 -9.265 2.306 1.00 74.50 N ATOM 1318 NH2 ARG A 94 8.338 -10.604 0.638 1.00 60.42 N ATOM 0 H ARG A 94 5.457 -5.464 4.162 1.00 1.54 H new ATOM 0 HA ARG A 94 4.308 -6.635 1.742 1.00 14.24 H new ATOM 0 HB2 ARG A 94 5.021 -8.145 4.251 1.00 2.25 H new ATOM 0 HB3 ARG A 94 5.095 -8.677 2.583 1.00 2.25 H new ATOM 0 HG2 ARG A 94 6.945 -6.580 3.773 1.00 33.44 H new ATOM 0 HG3 ARG A 94 7.335 -8.285 3.672 1.00 33.44 H new ATOM 0 HD2 ARG A 94 6.555 -6.641 1.239 1.00 72.31 H new ATOM 0 HD3 ARG A 94 8.215 -6.789 1.782 1.00 72.31 H new ATOM 0 HE ARG A 94 6.709 -8.753 0.303 1.00 11.21 H new ATOM 0 HH11 ARG A 94 9.136 -8.399 2.844 1.00 74.50 H new ATOM 0 HH12 ARG A 94 9.876 -9.969 2.516 1.00 74.50 H new ATOM 0 HH21 ARG A 94 7.665 -10.770 -0.110 1.00 60.42 H new ATOM 0 HH22 ARG A 94 9.047 -11.306 0.851 1.00 60.42 H new ATOM 1329 N VAL A 95 2.041 -7.258 2.522 1.00 1.33 N ATOM 1330 CA VAL A 95 0.662 -7.496 2.933 1.00 45.13 C ATOM 1331 C VAL A 95 0.242 -8.932 2.642 1.00 64.01 C ATOM 1332 O VAL A 95 0.427 -9.432 1.531 1.00 33.25 O ATOM 1333 CB VAL A 95 -0.309 -6.534 2.222 1.00 2.42 C ATOM 1334 CG1 VAL A 95 -1.750 -6.974 2.437 1.00 51.32 C ATOM 1335 CG2 VAL A 95 -0.100 -5.109 2.711 1.00 52.21 C ATOM 0 H VAL A 95 2.216 -7.403 1.528 1.00 1.33 H new ATOM 0 HA VAL A 95 0.616 -7.318 4.007 1.00 45.13 H new ATOM 0 HB VAL A 95 -0.102 -6.561 1.152 1.00 2.42 H new ATOM 0 HG11 VAL A 95 -2.421 -6.283 1.928 1.00 51.32 H new ATOM 0 HG12 VAL A 95 -1.888 -7.977 2.034 1.00 51.32 H new ATOM 0 HG13 VAL A 95 -1.974 -6.978 3.504 1.00 51.32 H new ATOM 0 HG21 VAL A 95 -0.794 -4.443 2.198 1.00 52.21 H new ATOM 0 HG22 VAL A 95 -0.279 -5.063 3.785 1.00 52.21 H new ATOM 0 HG23 VAL A 95 0.923 -4.798 2.500 1.00 52.21 H new ATOM 1345 N ARG A 96 -0.325 -9.593 3.646 1.00 2.10 N ATOM 1346 CA ARG A 96 -0.772 -10.973 3.498 1.00 24.24 C ATOM 1347 C ARG A 96 -2.193 -11.144 4.026 1.00 43.40 C ATOM 1348 O ARG A 96 -2.593 -10.489 4.989 1.00 72.52 O ATOM 1349 CB ARG A 96 0.176 -11.920 4.238 1.00 71.30 C ATOM 1350 CG ARG A 96 -0.426 -13.287 4.518 1.00 72.11 C ATOM 1351 CD ARG A 96 -0.682 -14.057 3.232 1.00 60.54 C ATOM 1352 NE ARG A 96 0.434 -14.936 2.889 1.00 42.31 N ATOM 1353 CZ ARG A 96 0.688 -16.078 3.518 1.00 50.34 C ATOM 1354 NH1 ARG A 96 -0.087 -16.476 4.517 1.00 65.04 N ATOM 1355 NH2 ARG A 96 1.723 -16.824 3.148 1.00 62.11 N ATOM 0 H ARG A 96 -0.486 -9.195 4.571 1.00 2.10 H new ATOM 0 HA ARG A 96 -0.766 -11.219 2.436 1.00 24.24 H new ATOM 0 HB2 ARG A 96 1.084 -12.046 3.648 1.00 71.30 H new ATOM 0 HB3 ARG A 96 0.470 -11.462 5.182 1.00 71.30 H new ATOM 0 HG2 ARG A 96 0.247 -13.858 5.157 1.00 72.11 H new ATOM 0 HG3 ARG A 96 -1.361 -13.169 5.065 1.00 72.11 H new ATOM 0 HD2 ARG A 96 -1.591 -14.650 3.339 1.00 60.54 H new ATOM 0 HD3 ARG A 96 -0.854 -13.354 2.417 1.00 60.54 H new ATOM 0 HE ARG A 96 1.051 -14.658 2.126 1.00 42.31 H new ATOM 0 HH11 ARG A 96 -0.881 -15.905 4.805 1.00 65.04 H new ATOM 0 HH12 ARG A 96 0.111 -17.354 4.998 1.00 65.04 H new ATOM 0 HH21 ARG A 96 2.323 -16.520 2.381 1.00 62.11 H new ATOM 0 HH22 ARG A 96 1.918 -17.701 3.631 1.00 62.11 H new ATOM 1366 N VAL A 97 -2.954 -12.029 3.388 1.00 52.02 N ATOM 1367 CA VAL A 97 -4.330 -12.287 3.793 1.00 43.33 C ATOM 1368 C VAL A 97 -4.467 -13.668 4.425 1.00 10.32 C ATOM 1369 O VAL A 97 -3.479 -14.381 4.604 1.00 41.23 O ATOM 1370 CB VAL A 97 -5.295 -12.185 2.597 1.00 21.31 C ATOM 1371 CG1 VAL A 97 -5.148 -10.837 1.907 1.00 51.23 C ATOM 1372 CG2 VAL A 97 -5.054 -13.324 1.619 1.00 41.55 C ATOM 0 H VAL A 97 -2.640 -12.579 2.588 1.00 52.02 H new ATOM 0 HA VAL A 97 -4.592 -11.526 4.528 1.00 43.33 H new ATOM 0 HB VAL A 97 -6.317 -12.267 2.968 1.00 21.31 H new ATOM 0 HG11 VAL A 97 -5.837 -10.782 1.064 1.00 51.23 H new ATOM 0 HG12 VAL A 97 -5.376 -10.039 2.614 1.00 51.23 H new ATOM 0 HG13 VAL A 97 -4.126 -10.722 1.547 1.00 51.23 H new ATOM 0 HG21 VAL A 97 -5.745 -13.236 0.780 1.00 41.55 H new ATOM 0 HG22 VAL A 97 -4.029 -13.277 1.251 1.00 41.55 H new ATOM 0 HG23 VAL A 97 -5.215 -14.277 2.123 1.00 41.55 H new ATOM 1382 N TYR A 98 -5.697 -14.038 4.764 1.00 51.22 N ATOM 1383 CA TYR A 98 -5.963 -15.332 5.378 1.00 23.04 C ATOM 1384 C TYR A 98 -5.709 -16.467 4.392 1.00 24.22 C ATOM 1385 O TYR A 98 -4.670 -17.124 4.440 1.00 72.33 O ATOM 1386 CB TYR A 98 -7.406 -15.393 5.883 1.00 44.43 C ATOM 1387 CG TYR A 98 -7.804 -16.750 6.418 1.00 42.10 C ATOM 1388 CD1 TYR A 98 -7.242 -17.251 7.585 1.00 55.13 C ATOM 1389 CD2 TYR A 98 -8.743 -17.533 5.755 1.00 74.43 C ATOM 1390 CE1 TYR A 98 -7.603 -18.490 8.077 1.00 41.25 C ATOM 1391 CE2 TYR A 98 -9.110 -18.773 6.240 1.00 22.10 C ATOM 1392 CZ TYR A 98 -8.536 -19.247 7.401 1.00 65.31 C ATOM 1393 OH TYR A 98 -8.899 -20.483 7.888 1.00 65.12 O ATOM 0 H TYR A 98 -6.525 -13.459 4.624 1.00 51.22 H new ATOM 0 HA TYR A 98 -5.284 -15.451 6.222 1.00 23.04 H new ATOM 0 HB2 TYR A 98 -7.539 -14.649 6.668 1.00 44.43 H new ATOM 0 HB3 TYR A 98 -8.078 -15.121 5.069 1.00 44.43 H new ATOM 0 HD1 TYR A 98 -6.510 -16.662 8.117 1.00 55.13 H new ATOM 0 HD2 TYR A 98 -9.193 -17.165 4.845 1.00 74.43 H new ATOM 0 HE1 TYR A 98 -7.157 -18.864 8.987 1.00 41.25 H new ATOM 0 HE2 TYR A 98 -9.842 -19.368 5.713 1.00 22.10 H new ATOM 0 HH TYR A 98 -9.567 -20.885 7.295 1.00 65.12 H new ATOM 1402 N GLN A 99 -6.668 -16.691 3.498 1.00 50.12 N ATOM 1403 CA GLN A 99 -6.548 -17.745 2.499 1.00 41.35 C ATOM 1404 C GLN A 99 -5.394 -17.464 1.543 1.00 34.31 C ATOM 1405 O GLN A 99 -5.105 -16.308 1.229 1.00 53.41 O ATOM 1406 CB GLN A 99 -7.853 -17.883 1.713 1.00 1.25 C ATOM 1407 CG GLN A 99 -7.844 -19.030 0.713 1.00 34.23 C ATOM 1408 CD GLN A 99 -7.541 -20.366 1.361 1.00 73.22 C ATOM 1409 OE1 GLN A 99 -6.735 -21.146 0.851 1.00 2.14 O ATOM 1410 NE2 GLN A 99 -8.184 -20.638 2.489 1.00 30.14 N ATOM 0 H GLN A 99 -7.535 -16.157 3.446 1.00 50.12 H new ATOM 0 HA GLN A 99 -6.344 -18.680 3.020 1.00 41.35 H new ATOM 0 HB2 GLN A 99 -8.675 -18.029 2.413 1.00 1.25 H new ATOM 0 HB3 GLN A 99 -8.048 -16.951 1.182 1.00 1.25 H new ATOM 0 HG2 GLN A 99 -8.813 -19.082 0.217 1.00 34.23 H new ATOM 0 HG3 GLN A 99 -7.102 -18.828 -0.059 1.00 34.23 H new ATOM 0 HE21 GLN A 99 -8.843 -19.963 2.876 1.00 30.14 H new ATOM 0 HE22 GLN A 99 -8.019 -21.523 2.969 1.00 30.14 H new ATOM 1417 N ILE A 100 -4.738 -18.524 1.085 1.00 13.14 N ATOM 1418 CA ILE A 100 -3.616 -18.389 0.164 1.00 35.40 C ATOM 1419 C ILE A 100 -3.878 -19.140 -1.135 1.00 61.35 C ATOM 1420 O ILE A 100 -4.710 -20.045 -1.203 1.00 34.11 O ATOM 1421 CB ILE A 100 -2.308 -18.910 0.790 1.00 32.35 C ATOM 1422 CG1 ILE A 100 -2.615 -19.811 1.988 1.00 11.30 C ATOM 1423 CG2 ILE A 100 -1.422 -17.747 1.208 1.00 31.02 C ATOM 1424 CD1 ILE A 100 -1.383 -20.438 2.604 1.00 33.13 C ATOM 0 H ILE A 100 -4.964 -19.486 1.336 1.00 13.14 H new ATOM 0 HA ILE A 100 -3.509 -17.325 -0.049 1.00 35.40 H new ATOM 0 HB ILE A 100 -1.774 -19.498 0.044 1.00 32.35 H new ATOM 0 HG12 ILE A 100 -3.134 -19.227 2.748 1.00 11.30 H new ATOM 0 HG13 ILE A 100 -3.296 -20.601 1.673 1.00 11.30 H new ATOM 0 HG21 ILE A 100 -0.502 -18.131 1.649 1.00 31.02 H new ATOM 0 HG22 ILE A 100 -1.181 -17.141 0.335 1.00 31.02 H new ATOM 0 HG23 ILE A 100 -1.947 -17.135 1.941 1.00 31.02 H new ATOM 0 HD11 ILE A 100 -1.676 -21.063 3.447 1.00 33.13 H new ATOM 0 HD12 ILE A 100 -0.874 -21.049 1.859 1.00 33.13 H new ATOM 0 HD13 ILE A 100 -0.710 -19.654 2.950 1.00 33.13 H new ATOM 1435 N PRO A 101 -3.151 -18.757 -2.197 1.00 22.15 N ATOM 1436 CA PRO A 101 -3.286 -19.384 -3.516 1.00 31.14 C ATOM 1437 C PRO A 101 -2.748 -20.809 -3.537 1.00 65.14 C ATOM 1438 O PRO A 101 -2.321 -21.338 -2.513 1.00 1.43 O ATOM 1439 CB PRO A 101 -2.447 -18.481 -4.423 1.00 43.22 C ATOM 1440 CG PRO A 101 -1.449 -17.851 -3.515 1.00 71.03 C ATOM 1441 CD PRO A 101 -2.143 -17.685 -2.190 1.00 73.11 C ATOM 0 HA PRO A 101 -4.328 -19.470 -3.823 1.00 31.14 H new ATOM 0 HB2 PRO A 101 -1.958 -19.055 -5.210 1.00 43.22 H new ATOM 0 HB3 PRO A 101 -3.065 -17.729 -4.914 1.00 43.22 H new ATOM 0 HG2 PRO A 101 -0.562 -18.477 -3.416 1.00 71.03 H new ATOM 0 HG3 PRO A 101 -1.118 -16.889 -3.906 1.00 71.03 H new ATOM 0 HD2 PRO A 101 -1.449 -17.792 -1.357 1.00 73.11 H new ATOM 0 HD3 PRO A 101 -2.603 -16.701 -2.098 1.00 73.11 H new