USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 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 15 TYR OH : rot 30:sc= -0.0255 USER MOD Set 1.2: A 34 MET CE :methyl -138:sc= -1.84 (180deg=-4.44!) USER MOD Set 2.1: A 10 ASN :FLIP amide:sc= -0.335 F(o=-0.16,f=0.51) USER MOD Set 2.2: A 13 SER OG : rot -13:sc= 0.844 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.159 (180deg=-0.659) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -99:sc= 0.43 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.00887 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.704 (180deg=0.704) USER MOD Single : A 24 MET CE :methyl 175:sc= -0.301 (180deg=-0.372) USER MOD Single : A 26 ASN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.2!) USER MOD Single : A 38 MET CE :methyl 144:sc=-0.00281 (180deg=-1.84!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.433 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 72 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.22 F(o=-0.92,f=-0.22) USER MOD Single : A 74 HIS : no HE2:sc= 0.446 K(o=0.45,f=-1.6!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.710 -3.642 4.758 1.00 22.54 N ATOM 2 CA MET A 1 -12.332 -4.082 4.457 1.00 23.11 C ATOM 3 C MET A 1 -11.346 -3.279 5.289 1.00 25.43 C ATOM 4 O MET A 1 -10.983 -2.168 4.897 1.00 21.30 O ATOM 5 CB MET A 1 -12.059 -3.919 2.951 1.00 72.22 C ATOM 6 CG MET A 1 -10.852 -4.690 2.425 1.00 35.21 C ATOM 7 SD MET A 1 -9.251 -3.901 2.713 1.00 50.33 S ATOM 8 CE MET A 1 -9.410 -2.381 1.784 1.00 34.21 C ATOM 0 H1 MET A 1 -14.383 -4.193 4.187 1.00 22.54 H new ATOM 0 H2 MET A 1 -13.909 -3.791 5.768 1.00 22.54 H new ATOM 0 H3 MET A 1 -13.809 -2.632 4.531 1.00 22.54 H new ATOM 0 HA MET A 1 -12.212 -5.135 4.714 1.00 23.11 H new ATOM 0 HB2 MET A 1 -12.943 -4.240 2.400 1.00 72.22 H new ATOM 0 HB3 MET A 1 -11.916 -2.860 2.736 1.00 72.22 H new ATOM 0 HG2 MET A 1 -10.841 -5.677 2.888 1.00 35.21 H new ATOM 0 HG3 MET A 1 -10.977 -4.842 1.353 1.00 35.21 H new ATOM 0 HE1 MET A 1 -8.423 -1.949 1.621 1.00 34.21 H new ATOM 0 HE2 MET A 1 -9.878 -2.590 0.822 1.00 34.21 H new ATOM 0 HE3 MET A 1 -10.027 -1.676 2.342 1.00 34.21 H new ATOM 20 N ILE A 2 -10.996 -3.828 6.478 1.00 20.31 N ATOM 21 CA ILE A 2 -9.930 -3.314 7.377 1.00 0.25 C ATOM 22 C ILE A 2 -10.326 -2.044 8.169 1.00 52.43 C ATOM 23 O ILE A 2 -10.078 -1.985 9.380 1.00 65.13 O ATOM 24 CB ILE A 2 -8.572 -3.115 6.616 1.00 50.21 C ATOM 25 CG1 ILE A 2 -8.007 -4.482 6.202 1.00 34.14 C ATOM 26 CG2 ILE A 2 -7.553 -2.353 7.459 1.00 22.05 C ATOM 27 CD1 ILE A 2 -6.787 -4.407 5.304 1.00 34.34 C ATOM 0 H ILE A 2 -11.457 -4.659 6.848 1.00 20.31 H new ATOM 0 HA ILE A 2 -9.790 -4.093 8.126 1.00 0.25 H new ATOM 0 HB ILE A 2 -8.769 -2.516 5.727 1.00 50.21 H new ATOM 0 HG12 ILE A 2 -7.748 -5.042 7.100 1.00 34.14 H new ATOM 0 HG13 ILE A 2 -8.787 -5.044 5.689 1.00 34.14 H new ATOM 0 HG21 ILE A 2 -6.628 -2.237 6.895 1.00 22.05 H new ATOM 0 HG22 ILE A 2 -7.951 -1.370 7.709 1.00 22.05 H new ATOM 0 HG23 ILE A 2 -7.352 -2.907 8.376 1.00 22.05 H new ATOM 0 HD11 ILE A 2 -6.453 -5.415 5.059 1.00 34.34 H new ATOM 0 HD12 ILE A 2 -7.043 -3.877 4.387 1.00 34.34 H new ATOM 0 HD13 ILE A 2 -5.988 -3.875 5.820 1.00 34.34 H new ATOM 39 N ARG A 3 -10.931 -1.079 7.456 1.00 11.14 N ATOM 40 CA ARG A 3 -11.262 0.282 7.897 1.00 44.23 C ATOM 41 C ARG A 3 -10.037 1.173 7.690 1.00 64.00 C ATOM 42 O ARG A 3 -9.223 1.401 8.589 1.00 63.43 O ATOM 43 CB ARG A 3 -11.857 0.379 9.331 1.00 25.15 C ATOM 44 CG ARG A 3 -12.203 1.791 9.804 1.00 65.23 C ATOM 45 CD ARG A 3 -13.227 2.459 8.904 1.00 63.11 C ATOM 46 NE ARG A 3 -13.507 3.828 9.345 1.00 43.34 N ATOM 47 CZ ARG A 3 -14.495 4.601 8.887 1.00 21.51 C ATOM 48 NH1 ARG A 3 -15.315 4.181 7.935 1.00 55.44 N ATOM 49 NH2 ARG A 3 -14.646 5.820 9.374 1.00 72.42 N ATOM 0 H ARG A 3 -11.220 -1.243 6.492 1.00 11.14 H new ATOM 0 HA ARG A 3 -12.083 0.641 7.277 1.00 44.23 H new ATOM 0 HB2 ARG A 3 -12.759 -0.231 9.374 1.00 25.15 H new ATOM 0 HB3 ARG A 3 -11.144 -0.056 10.032 1.00 25.15 H new ATOM 0 HG2 ARG A 3 -12.589 1.747 10.822 1.00 65.23 H new ATOM 0 HG3 ARG A 3 -11.297 2.396 9.833 1.00 65.23 H new ATOM 0 HD2 ARG A 3 -12.859 2.473 7.878 1.00 63.11 H new ATOM 0 HD3 ARG A 3 -14.149 1.878 8.904 1.00 63.11 H new ATOM 0 HE ARG A 3 -12.897 4.223 10.061 1.00 43.34 H new ATOM 0 HH11 ARG A 3 -15.199 3.249 7.536 1.00 55.44 H new ATOM 0 HH12 ARG A 3 -16.063 4.789 7.601 1.00 55.44 H new ATOM 0 HH21 ARG A 3 -14.011 6.164 10.094 1.00 72.42 H new ATOM 0 HH22 ARG A 3 -15.398 6.417 9.030 1.00 72.42 H new ATOM 63 N LEU A 4 -9.886 1.582 6.438 1.00 55.25 N ATOM 64 CA LEU A 4 -8.857 2.523 6.006 1.00 55.22 C ATOM 65 C LEU A 4 -9.544 3.728 5.365 1.00 12.41 C ATOM 66 O LEU A 4 -10.744 3.675 5.066 1.00 51.11 O ATOM 67 CB LEU A 4 -7.917 1.875 4.976 1.00 0.22 C ATOM 68 CG LEU A 4 -7.110 0.666 5.457 1.00 1.45 C ATOM 69 CD1 LEU A 4 -6.443 -0.015 4.275 1.00 73.24 C ATOM 70 CD2 LEU A 4 -6.063 1.082 6.483 1.00 51.11 C ATOM 0 H LEU A 4 -10.486 1.264 5.677 1.00 55.25 H new ATOM 0 HA LEU A 4 -8.265 2.825 6.870 1.00 55.22 H new ATOM 0 HB2 LEU A 4 -8.512 1.568 4.116 1.00 0.22 H new ATOM 0 HB3 LEU A 4 -7.218 2.635 4.626 1.00 0.22 H new ATOM 0 HG LEU A 4 -7.794 -0.035 5.935 1.00 1.45 H new ATOM 0 HD11 LEU A 4 -5.871 -0.874 4.625 1.00 73.24 H new ATOM 0 HD12 LEU A 4 -7.205 -0.349 3.570 1.00 73.24 H new ATOM 0 HD13 LEU A 4 -5.774 0.689 3.780 1.00 73.24 H new ATOM 0 HD21 LEU A 4 -5.504 0.205 6.808 1.00 51.11 H new ATOM 0 HD22 LEU A 4 -5.379 1.802 6.034 1.00 51.11 H new ATOM 0 HD23 LEU A 4 -6.556 1.537 7.342 1.00 51.11 H new ATOM 82 N THR A 5 -8.807 4.805 5.150 1.00 1.41 N ATOM 83 CA THR A 5 -9.346 5.935 4.416 1.00 32.54 C ATOM 84 C THR A 5 -8.867 5.865 2.951 1.00 11.24 C ATOM 85 O THR A 5 -8.055 4.999 2.601 1.00 23.54 O ATOM 86 CB THR A 5 -8.995 7.293 5.113 1.00 51.21 C ATOM 87 OG1 THR A 5 -9.675 8.393 4.491 1.00 65.40 O ATOM 88 CG2 THR A 5 -7.508 7.577 5.114 1.00 10.33 C ATOM 0 H THR A 5 -7.845 4.920 5.469 1.00 1.41 H new ATOM 0 HA THR A 5 -10.435 5.883 4.414 1.00 32.54 H new ATOM 0 HB THR A 5 -9.329 7.191 6.145 1.00 51.21 H new ATOM 0 HG1 THR A 5 -9.063 8.851 3.877 1.00 65.40 H new ATOM 0 HG21 THR A 5 -7.320 8.530 5.609 1.00 10.33 H new ATOM 0 HG22 THR A 5 -6.986 6.782 5.647 1.00 10.33 H new ATOM 0 HG23 THR A 5 -7.146 7.624 4.087 1.00 10.33 H new ATOM 96 N ILE A 6 -9.397 6.773 2.118 1.00 32.22 N ATOM 97 CA ILE A 6 -9.157 6.827 0.661 1.00 34.21 C ATOM 98 C ILE A 6 -7.664 7.025 0.323 1.00 4.01 C ATOM 99 O ILE A 6 -7.214 6.626 -0.742 1.00 25.35 O ATOM 100 CB ILE A 6 -9.988 7.993 0.019 1.00 14.03 C ATOM 101 CG1 ILE A 6 -11.421 8.088 0.614 1.00 72.24 C ATOM 102 CG2 ILE A 6 -10.058 7.871 -1.509 1.00 43.02 C ATOM 103 CD1 ILE A 6 -12.298 6.869 0.396 1.00 32.34 C ATOM 0 H ILE A 6 -10.021 7.511 2.444 1.00 32.22 H new ATOM 0 HA ILE A 6 -9.473 5.868 0.250 1.00 34.21 H new ATOM 0 HB ILE A 6 -9.459 8.913 0.265 1.00 14.03 H new ATOM 0 HG12 ILE A 6 -11.340 8.269 1.686 1.00 72.24 H new ATOM 0 HG13 ILE A 6 -11.919 8.955 0.181 1.00 72.24 H new ATOM 0 HG21 ILE A 6 -10.642 8.698 -1.914 1.00 43.02 H new ATOM 0 HG22 ILE A 6 -9.050 7.902 -1.923 1.00 43.02 H new ATOM 0 HG23 ILE A 6 -10.532 6.927 -1.777 1.00 43.02 H new ATOM 0 HD11 ILE A 6 -13.275 7.038 0.849 1.00 32.34 H new ATOM 0 HD12 ILE A 6 -12.419 6.694 -0.673 1.00 32.34 H new ATOM 0 HD13 ILE A 6 -11.831 5.998 0.855 1.00 32.34 H new ATOM 115 N GLU A 7 -6.912 7.614 1.254 1.00 12.13 N ATOM 116 CA GLU A 7 -5.494 7.914 1.080 1.00 25.13 C ATOM 117 C GLU A 7 -4.619 6.657 1.112 1.00 51.33 C ATOM 118 O GLU A 7 -3.666 6.569 0.341 1.00 72.22 O ATOM 119 CB GLU A 7 -5.015 8.913 2.145 1.00 35.02 C ATOM 120 CG GLU A 7 -5.679 10.288 2.075 1.00 61.34 C ATOM 121 CD GLU A 7 -6.937 10.417 2.918 1.00 54.23 C ATOM 122 OE1 GLU A 7 -8.010 9.945 2.502 1.00 24.41 O ATOM 123 OE2 GLU A 7 -6.858 11.015 4.001 1.00 64.00 O ATOM 0 H GLU A 7 -7.278 7.899 2.162 1.00 12.13 H new ATOM 0 HA GLU A 7 -5.389 8.360 0.091 1.00 25.13 H new ATOM 0 HB2 GLU A 7 -5.197 8.487 3.132 1.00 35.02 H new ATOM 0 HB3 GLU A 7 -3.937 9.040 2.046 1.00 35.02 H new ATOM 0 HG2 GLU A 7 -4.961 11.042 2.397 1.00 61.34 H new ATOM 0 HG3 GLU A 7 -5.927 10.506 1.036 1.00 61.34 H new ATOM 130 N GLU A 8 -4.956 5.681 1.980 1.00 1.22 N ATOM 131 CA GLU A 8 -4.201 4.413 2.069 1.00 55.44 C ATOM 132 C GLU A 8 -4.301 3.629 0.771 1.00 64.23 C ATOM 133 O GLU A 8 -3.309 3.099 0.268 1.00 1.43 O ATOM 134 CB GLU A 8 -4.704 3.512 3.210 1.00 72.25 C ATOM 135 CG GLU A 8 -4.191 3.868 4.593 1.00 1.22 C ATOM 136 CD GLU A 8 -4.973 4.968 5.266 1.00 1.45 C ATOM 137 OE1 GLU A 8 -5.952 4.661 5.968 1.00 23.42 O ATOM 138 OE2 GLU A 8 -4.599 6.144 5.118 1.00 70.03 O ATOM 0 H GLU A 8 -5.742 5.745 2.627 1.00 1.22 H new ATOM 0 HA GLU A 8 -3.166 4.692 2.267 1.00 55.44 H new ATOM 0 HB2 GLU A 8 -5.793 3.547 3.225 1.00 72.25 H new ATOM 0 HB3 GLU A 8 -4.421 2.483 2.990 1.00 72.25 H new ATOM 0 HG2 GLU A 8 -4.219 2.978 5.221 1.00 1.22 H new ATOM 0 HG3 GLU A 8 -3.147 4.171 4.516 1.00 1.22 H new ATOM 145 N THR A 9 -5.514 3.582 0.247 1.00 2.31 N ATOM 146 CA THR A 9 -5.825 2.914 -1.001 1.00 42.54 C ATOM 147 C THR A 9 -5.348 3.705 -2.232 1.00 2.04 C ATOM 148 O THR A 9 -5.140 3.124 -3.297 1.00 3.15 O ATOM 149 CB THR A 9 -7.322 2.605 -1.067 1.00 12.11 C ATOM 150 OG1 THR A 9 -8.077 3.721 -0.594 1.00 2.14 O ATOM 151 CG2 THR A 9 -7.642 1.394 -0.220 1.00 54.14 C ATOM 0 H THR A 9 -6.325 4.016 0.688 1.00 2.31 H new ATOM 0 HA THR A 9 -5.273 1.974 -1.023 1.00 42.54 H new ATOM 0 HB THR A 9 -7.586 2.402 -2.105 1.00 12.11 H new ATOM 0 HG1 THR A 9 -7.607 4.552 -0.815 1.00 2.14 H new ATOM 0 HG21 THR A 9 -8.710 1.184 -0.275 1.00 54.14 H new ATOM 0 HG22 THR A 9 -7.083 0.534 -0.589 1.00 54.14 H new ATOM 0 HG23 THR A 9 -7.363 1.590 0.815 1.00 54.14 H new ATOM 159 N ASN A 10 -5.219 5.034 -2.087 1.00 21.02 N ATOM 160 CA ASN A 10 -4.672 5.903 -3.139 1.00 34.43 C ATOM 161 C ASN A 10 -3.191 5.607 -3.385 1.00 13.23 C ATOM 162 O ASN A 10 -2.719 5.700 -4.511 1.00 32.25 O ATOM 163 CB ASN A 10 -4.827 7.378 -2.778 1.00 23.40 C ATOM 164 CG ASN A 10 -4.522 8.324 -3.937 1.00 2.51 C ATOM 165 OD1 ASN A 10 -4.917 7.949 -5.148 1.00 55.51 O flip ATOM 166 ND2 ASN A 10 -3.965 9.401 -3.736 1.00 22.33 N flip ATOM 0 H ASN A 10 -5.490 5.534 -1.240 1.00 21.02 H new ATOM 0 HA ASN A 10 -5.239 5.695 -4.046 1.00 34.43 H new ATOM 0 HB2 ASN A 10 -5.846 7.554 -2.434 1.00 23.40 H new ATOM 0 HB3 ASN A 10 -4.164 7.612 -1.945 1.00 23.40 H new ATOM 0 HD21 ASN A 10 -3.675 9.657 -2.792 1.00 22.33 H new ATOM 0 HD22 ASN A 10 -3.793 10.039 -4.513 1.00 22.33 H new ATOM 173 N LEU A 11 -2.476 5.234 -2.324 1.00 13.53 N ATOM 174 CA LEU A 11 -1.075 4.808 -2.419 1.00 24.14 C ATOM 175 C LEU A 11 -0.946 3.538 -3.269 1.00 12.45 C ATOM 176 O LEU A 11 0.027 3.367 -4.011 1.00 71.13 O ATOM 177 CB LEU A 11 -0.519 4.571 -1.012 1.00 70.23 C ATOM 178 CG LEU A 11 0.905 4.011 -0.922 1.00 71.34 C ATOM 179 CD1 LEU A 11 1.931 4.990 -1.472 1.00 63.11 C ATOM 180 CD2 LEU A 11 1.225 3.668 0.512 1.00 62.21 C ATOM 0 H LEU A 11 -2.849 5.218 -1.375 1.00 13.53 H new ATOM 0 HA LEU A 11 -0.499 5.594 -2.906 1.00 24.14 H new ATOM 0 HB2 LEU A 11 -0.548 5.517 -0.470 1.00 70.23 H new ATOM 0 HB3 LEU A 11 -1.188 3.885 -0.492 1.00 70.23 H new ATOM 0 HG LEU A 11 0.954 3.110 -1.533 1.00 71.34 H new ATOM 0 HD11 LEU A 11 2.928 4.556 -1.390 1.00 63.11 H new ATOM 0 HD12 LEU A 11 1.710 5.198 -2.519 1.00 63.11 H new ATOM 0 HD13 LEU A 11 1.891 5.918 -0.901 1.00 63.11 H new ATOM 0 HD21 LEU A 11 2.238 3.270 0.574 1.00 62.21 H new ATOM 0 HD22 LEU A 11 1.150 4.565 1.126 1.00 62.21 H new ATOM 0 HD23 LEU A 11 0.519 2.921 0.874 1.00 62.21 H new ATOM 192 N LEU A 12 -1.963 2.680 -3.178 1.00 51.20 N ATOM 193 CA LEU A 12 -2.000 1.431 -3.926 1.00 64.55 C ATOM 194 C LEU A 12 -2.235 1.705 -5.410 1.00 1.14 C ATOM 195 O LEU A 12 -1.657 1.038 -6.252 1.00 61.53 O ATOM 196 CB LEU A 12 -3.106 0.503 -3.400 1.00 42.14 C ATOM 197 CG LEU A 12 -3.259 0.402 -1.874 1.00 40.32 C ATOM 198 CD1 LEU A 12 -4.351 -0.595 -1.526 1.00 21.24 C ATOM 199 CD2 LEU A 12 -1.953 0.015 -1.200 1.00 33.40 C ATOM 0 H LEU A 12 -2.779 2.834 -2.585 1.00 51.20 H new ATOM 0 HA LEU A 12 -1.036 0.939 -3.795 1.00 64.55 H new ATOM 0 HB2 LEU A 12 -4.056 0.838 -3.815 1.00 42.14 H new ATOM 0 HB3 LEU A 12 -2.923 -0.498 -3.790 1.00 42.14 H new ATOM 0 HG LEU A 12 -3.539 1.387 -1.501 1.00 40.32 H new ATOM 0 HD11 LEU A 12 -4.452 -0.660 -0.443 1.00 21.24 H new ATOM 0 HD12 LEU A 12 -5.295 -0.266 -1.960 1.00 21.24 H new ATOM 0 HD13 LEU A 12 -4.090 -1.575 -1.925 1.00 21.24 H new ATOM 0 HD21 LEU A 12 -2.104 -0.046 -0.122 1.00 33.40 H new ATOM 0 HD22 LEU A 12 -1.623 -0.954 -1.575 1.00 33.40 H new ATOM 0 HD23 LEU A 12 -1.194 0.766 -1.418 1.00 33.40 H new ATOM 211 N SER A 13 -3.096 2.691 -5.717 1.00 42.12 N ATOM 212 CA SER A 13 -3.405 3.067 -7.104 1.00 33.14 C ATOM 213 C SER A 13 -2.247 3.798 -7.793 1.00 71.22 C ATOM 214 O SER A 13 -2.204 3.839 -9.020 1.00 21.22 O ATOM 215 CB SER A 13 -4.703 3.883 -7.200 1.00 13.22 C ATOM 216 OG SER A 13 -4.647 5.075 -6.447 1.00 73.25 O ATOM 0 H SER A 13 -3.592 3.243 -5.017 1.00 42.12 H new ATOM 0 HA SER A 13 -3.555 2.131 -7.641 1.00 33.14 H new ATOM 0 HB2 SER A 13 -4.900 4.125 -8.244 1.00 13.22 H new ATOM 0 HB3 SER A 13 -5.538 3.275 -6.851 1.00 13.22 H new ATOM 0 HG SER A 13 -3.869 5.049 -5.851 1.00 73.25 H new ATOM 222 N ILE A 14 -1.337 4.405 -7.006 1.00 35.10 N ATOM 223 CA ILE A 14 -0.122 5.031 -7.551 1.00 22.33 C ATOM 224 C ILE A 14 0.739 3.982 -8.269 1.00 33.21 C ATOM 225 O ILE A 14 1.172 4.191 -9.406 1.00 22.53 O ATOM 226 CB ILE A 14 0.713 5.734 -6.434 1.00 73.31 C ATOM 227 CG1 ILE A 14 -0.097 6.879 -5.813 1.00 51.40 C ATOM 228 CG2 ILE A 14 2.047 6.264 -6.975 1.00 1.40 C ATOM 229 CD1 ILE A 14 0.547 7.515 -4.598 1.00 45.12 C ATOM 0 H ILE A 14 -1.423 4.474 -5.992 1.00 35.10 H new ATOM 0 HA ILE A 14 -0.434 5.793 -8.266 1.00 22.33 H new ATOM 0 HB ILE A 14 0.936 4.992 -5.667 1.00 73.31 H new ATOM 0 HG12 ILE A 14 -0.255 7.648 -6.569 1.00 51.40 H new ATOM 0 HG13 ILE A 14 -1.080 6.501 -5.532 1.00 51.40 H new ATOM 0 HG21 ILE A 14 2.600 6.747 -6.169 1.00 1.40 H new ATOM 0 HG22 ILE A 14 2.633 5.436 -7.372 1.00 1.40 H new ATOM 0 HG23 ILE A 14 1.856 6.987 -7.768 1.00 1.40 H new ATOM 0 HD11 ILE A 14 -0.093 8.314 -4.224 1.00 45.12 H new ATOM 0 HD12 ILE A 14 0.680 6.762 -3.821 1.00 45.12 H new ATOM 0 HD13 ILE A 14 1.518 7.927 -4.874 1.00 45.12 H new ATOM 241 N TYR A 15 0.948 2.845 -7.613 1.00 3.32 N ATOM 242 CA TYR A 15 1.734 1.771 -8.192 1.00 42.23 C ATOM 243 C TYR A 15 0.843 0.790 -8.950 1.00 33.32 C ATOM 244 O TYR A 15 0.742 0.885 -10.175 1.00 4.22 O ATOM 245 CB TYR A 15 2.558 1.055 -7.114 1.00 54.20 C ATOM 246 CG TYR A 15 3.680 1.902 -6.564 1.00 40.40 C ATOM 247 CD1 TYR A 15 4.922 1.910 -7.182 1.00 41.21 C ATOM 248 CD2 TYR A 15 3.499 2.698 -5.440 1.00 10.40 C ATOM 249 CE1 TYR A 15 5.950 2.691 -6.702 1.00 53.24 C ATOM 250 CE2 TYR A 15 4.523 3.486 -4.955 1.00 54.32 C ATOM 251 CZ TYR A 15 5.747 3.475 -5.588 1.00 2.24 C ATOM 252 OH TYR A 15 6.767 4.259 -5.113 1.00 5.00 O ATOM 0 H TYR A 15 0.583 2.647 -6.681 1.00 3.32 H new ATOM 0 HA TYR A 15 2.430 2.208 -8.908 1.00 42.23 H new ATOM 0 HB2 TYR A 15 1.899 0.761 -6.297 1.00 54.20 H new ATOM 0 HB3 TYR A 15 2.974 0.139 -7.533 1.00 54.20 H new ATOM 0 HD1 TYR A 15 5.086 1.294 -8.054 1.00 41.21 H new ATOM 0 HD2 TYR A 15 2.543 2.700 -4.938 1.00 10.40 H new ATOM 0 HE1 TYR A 15 6.910 2.689 -7.197 1.00 53.24 H new ATOM 0 HE2 TYR A 15 4.366 4.107 -4.085 1.00 54.32 H new ATOM 0 HH TYR A 15 7.346 4.529 -5.857 1.00 5.00 H new ATOM 262 N ASN A 16 0.160 -0.086 -8.190 1.00 71.34 N ATOM 263 CA ASN A 16 -0.635 -1.209 -8.717 1.00 2.22 C ATOM 264 C ASN A 16 0.218 -2.059 -9.664 1.00 64.53 C ATOM 265 O ASN A 16 0.080 -2.012 -10.894 1.00 10.23 O ATOM 266 CB ASN A 16 -1.940 -0.722 -9.383 1.00 51.55 C ATOM 267 CG ASN A 16 -2.850 -1.856 -9.849 1.00 2.11 C ATOM 268 OD1 ASN A 16 -2.836 -2.955 -9.297 1.00 63.23 O ATOM 269 ND2 ASN A 16 -3.651 -1.591 -10.862 1.00 54.24 N ATOM 0 H ASN A 16 0.146 -0.031 -7.172 1.00 71.34 H new ATOM 0 HA ASN A 16 -0.938 -1.840 -7.882 1.00 2.22 H new ATOM 0 HB2 ASN A 16 -2.486 -0.096 -8.677 1.00 51.55 H new ATOM 0 HB3 ASN A 16 -1.689 -0.094 -10.238 1.00 51.55 H new ATOM 0 HD21 ASN A 16 -4.286 -2.309 -11.212 1.00 54.24 H new ATOM 0 HD22 ASN A 16 -3.636 -0.668 -11.296 1.00 54.24 H new ATOM 276 N GLU A 17 1.152 -2.774 -9.066 1.00 35.21 N ATOM 277 CA GLU A 17 2.107 -3.567 -9.809 1.00 73.22 C ATOM 278 C GLU A 17 2.342 -4.883 -9.101 1.00 1.23 C ATOM 279 O GLU A 17 2.658 -4.883 -7.927 1.00 43.42 O ATOM 280 CB GLU A 17 3.433 -2.792 -9.923 1.00 63.04 C ATOM 281 CG GLU A 17 4.437 -3.410 -10.885 1.00 70.42 C ATOM 282 CD GLU A 17 4.009 -3.283 -12.331 1.00 64.03 C ATOM 283 OE1 GLU A 17 3.167 -4.079 -12.786 1.00 13.23 O ATOM 284 OE2 GLU A 17 4.523 -2.388 -13.026 1.00 61.43 O ATOM 0 H GLU A 17 1.268 -2.820 -8.054 1.00 35.21 H new ATOM 0 HA GLU A 17 1.715 -3.766 -10.807 1.00 73.22 H new ATOM 0 HB2 GLU A 17 3.219 -1.773 -10.245 1.00 63.04 H new ATOM 0 HB3 GLU A 17 3.888 -2.725 -8.935 1.00 63.04 H new ATOM 0 HG2 GLU A 17 5.406 -2.928 -10.753 1.00 70.42 H new ATOM 0 HG3 GLU A 17 4.569 -4.464 -10.640 1.00 70.42 H new ATOM 291 N GLY A 18 2.113 -5.994 -9.802 1.00 75.11 N ATOM 292 CA GLY A 18 2.541 -7.308 -9.322 1.00 40.22 C ATOM 293 C GLY A 18 1.741 -7.865 -8.152 1.00 15.43 C ATOM 294 O GLY A 18 2.239 -8.735 -7.426 1.00 65.24 O ATOM 0 H GLY A 18 1.634 -6.010 -10.703 1.00 75.11 H new ATOM 0 HA2 GLY A 18 2.484 -8.015 -10.149 1.00 40.22 H new ATOM 0 HA3 GLY A 18 3.589 -7.246 -9.028 1.00 40.22 H new ATOM 298 N GLY A 19 0.518 -7.365 -7.964 1.00 4.44 N ATOM 299 CA GLY A 19 -0.340 -7.852 -6.900 1.00 13.12 C ATOM 300 C GLY A 19 0.114 -7.396 -5.534 1.00 42.13 C ATOM 301 O GLY A 19 0.553 -6.263 -5.374 1.00 53.42 O ATOM 0 H GLY A 19 0.107 -6.627 -8.536 1.00 4.44 H new ATOM 0 HA2 GLY A 19 -1.359 -7.508 -7.074 1.00 13.12 H new ATOM 0 HA3 GLY A 19 -0.363 -8.941 -6.926 1.00 13.12 H new ATOM 305 N LYS A 20 0.015 -8.296 -4.557 1.00 31.21 N ATOM 306 CA LYS A 20 0.416 -8.006 -3.181 1.00 34.11 C ATOM 307 C LYS A 20 1.943 -8.040 -3.026 1.00 30.31 C ATOM 308 O LYS A 20 2.489 -7.273 -2.234 1.00 31.42 O ATOM 309 CB LYS A 20 -0.319 -8.982 -2.221 1.00 62.31 C ATOM 310 CG LYS A 20 0.548 -9.827 -1.284 1.00 24.23 C ATOM 311 CD LYS A 20 0.615 -9.222 0.102 1.00 64.32 C ATOM 312 CE LYS A 20 1.514 -10.016 1.029 1.00 51.12 C ATOM 313 NZ LYS A 20 2.939 -9.926 0.642 1.00 21.33 N ATOM 0 H LYS A 20 -0.343 -9.241 -4.695 1.00 31.21 H new ATOM 0 HA LYS A 20 0.120 -6.991 -2.915 1.00 34.11 H new ATOM 0 HB2 LYS A 20 -1.008 -8.399 -1.610 1.00 62.31 H new ATOM 0 HB3 LYS A 20 -0.923 -9.659 -2.825 1.00 62.31 H new ATOM 0 HG2 LYS A 20 0.142 -10.837 -1.223 1.00 24.23 H new ATOM 0 HG3 LYS A 20 1.554 -9.912 -1.695 1.00 24.23 H new ATOM 0 HD2 LYS A 20 0.981 -8.198 0.032 1.00 64.32 H new ATOM 0 HD3 LYS A 20 -0.389 -9.174 0.525 1.00 64.32 H new ATOM 0 HE2 LYS A 20 1.393 -9.651 2.049 1.00 51.12 H new ATOM 0 HE3 LYS A 20 1.204 -11.061 1.025 1.00 51.12 H new ATOM 0 HZ1 LYS A 20 3.516 -10.470 1.314 1.00 21.33 H new ATOM 0 HZ2 LYS A 20 3.064 -10.314 -0.315 1.00 21.33 H new ATOM 0 HZ3 LYS A 20 3.240 -8.931 0.654 1.00 21.33 H new ATOM 327 N ARG A 21 2.623 -8.921 -3.785 1.00 53.43 N ATOM 328 CA ARG A 21 4.087 -8.995 -3.750 1.00 71.41 C ATOM 329 C ARG A 21 4.705 -7.724 -4.282 1.00 3.23 C ATOM 330 O ARG A 21 5.350 -7.010 -3.530 1.00 0.35 O ATOM 331 CB ARG A 21 4.632 -10.170 -4.568 1.00 52.44 C ATOM 332 CG ARG A 21 4.647 -11.491 -3.837 1.00 25.31 C ATOM 333 CD ARG A 21 5.425 -12.539 -4.615 1.00 10.50 C ATOM 334 NE ARG A 21 5.473 -13.826 -3.917 1.00 22.25 N ATOM 335 CZ ARG A 21 6.578 -14.553 -3.728 1.00 41.12 C ATOM 336 NH1 ARG A 21 7.753 -14.131 -4.177 1.00 41.12 N ATOM 337 NH2 ARG A 21 6.500 -15.710 -3.091 1.00 11.35 N ATOM 0 H ARG A 21 2.182 -9.584 -4.423 1.00 53.43 H new ATOM 0 HA ARG A 21 4.355 -9.139 -2.703 1.00 71.41 H new ATOM 0 HB2 ARG A 21 4.031 -10.276 -5.471 1.00 52.44 H new ATOM 0 HB3 ARG A 21 5.647 -9.934 -4.886 1.00 52.44 H new ATOM 0 HG2 ARG A 21 5.094 -11.360 -2.851 1.00 25.31 H new ATOM 0 HG3 ARG A 21 3.625 -11.835 -3.680 1.00 25.31 H new ATOM 0 HD2 ARG A 21 4.967 -12.676 -5.594 1.00 10.50 H new ATOM 0 HD3 ARG A 21 6.441 -12.182 -4.785 1.00 10.50 H new ATOM 0 HE ARG A 21 4.597 -14.195 -3.547 1.00 22.25 H new ATOM 0 HH11 ARG A 21 7.820 -13.242 -4.673 1.00 41.12 H new ATOM 0 HH12 ARG A 21 8.589 -14.695 -4.026 1.00 41.12 H new ATOM 0 HH21 ARG A 21 5.599 -16.043 -2.747 1.00 11.35 H new ATOM 0 HH22 ARG A 21 7.340 -16.269 -2.944 1.00 11.35 H new ATOM 351 N GLY A 22 4.422 -7.426 -5.551 1.00 14.21 N ATOM 352 CA GLY A 22 5.049 -6.316 -6.250 1.00 13.15 C ATOM 353 C GLY A 22 4.735 -4.963 -5.657 1.00 40.40 C ATOM 354 O GLY A 22 5.560 -4.075 -5.729 1.00 2.23 O ATOM 0 H GLY A 22 3.753 -7.949 -6.117 1.00 14.21 H new ATOM 0 HA2 GLY A 22 6.129 -6.461 -6.247 1.00 13.15 H new ATOM 0 HA3 GLY A 22 4.729 -6.328 -7.292 1.00 13.15 H new ATOM 358 N LEU A 23 3.548 -4.814 -5.066 1.00 42.30 N ATOM 359 CA LEU A 23 3.158 -3.574 -4.408 1.00 63.13 C ATOM 360 C LEU A 23 4.043 -3.308 -3.195 1.00 21.44 C ATOM 361 O LEU A 23 4.599 -2.229 -3.076 1.00 21.20 O ATOM 362 CB LEU A 23 1.695 -3.638 -3.983 1.00 31.50 C ATOM 363 CG LEU A 23 1.125 -2.366 -3.364 1.00 42.22 C ATOM 364 CD1 LEU A 23 0.910 -1.281 -4.411 1.00 42.35 C ATOM 365 CD2 LEU A 23 -0.156 -2.686 -2.651 1.00 12.41 C ATOM 0 H LEU A 23 2.838 -5.545 -5.032 1.00 42.30 H new ATOM 0 HA LEU A 23 3.285 -2.756 -5.117 1.00 63.13 H new ATOM 0 HB2 LEU A 23 1.094 -3.895 -4.855 1.00 31.50 H new ATOM 0 HB3 LEU A 23 1.580 -4.451 -3.266 1.00 31.50 H new ATOM 0 HG LEU A 23 1.847 -1.977 -2.646 1.00 42.22 H new ATOM 0 HD11 LEU A 23 0.503 -0.390 -3.933 1.00 42.35 H new ATOM 0 HD12 LEU A 23 1.862 -1.037 -4.883 1.00 42.35 H new ATOM 0 HD13 LEU A 23 0.211 -1.638 -5.167 1.00 42.35 H new ATOM 0 HD21 LEU A 23 -0.563 -1.777 -2.209 1.00 12.41 H new ATOM 0 HD22 LEU A 23 -0.874 -3.098 -3.360 1.00 12.41 H new ATOM 0 HD23 LEU A 23 0.038 -3.416 -1.865 1.00 12.41 H new ATOM 377 N MET A 24 4.213 -4.320 -2.343 1.00 11.53 N ATOM 378 CA MET A 24 5.011 -4.185 -1.120 1.00 62.45 C ATOM 379 C MET A 24 6.501 -4.049 -1.437 1.00 72.14 C ATOM 380 O MET A 24 7.198 -3.276 -0.784 1.00 12.11 O ATOM 381 CB MET A 24 4.763 -5.370 -0.177 1.00 34.32 C ATOM 382 CG MET A 24 3.323 -5.461 0.306 1.00 21.01 C ATOM 383 SD MET A 24 3.046 -6.756 1.531 1.00 15.14 S ATOM 384 CE MET A 24 3.971 -6.141 2.931 1.00 40.33 C ATOM 0 H MET A 24 3.808 -5.246 -2.477 1.00 11.53 H new ATOM 0 HA MET A 24 4.695 -3.271 -0.617 1.00 62.45 H new ATOM 0 HB2 MET A 24 5.027 -6.295 -0.690 1.00 34.32 H new ATOM 0 HB3 MET A 24 5.424 -5.284 0.686 1.00 34.32 H new ATOM 0 HG2 MET A 24 3.032 -4.501 0.733 1.00 21.01 H new ATOM 0 HG3 MET A 24 2.673 -5.639 -0.551 1.00 21.01 H new ATOM 0 HE1 MET A 24 3.815 -6.797 3.787 1.00 40.33 H new ATOM 0 HE2 MET A 24 5.032 -6.115 2.683 1.00 40.33 H new ATOM 0 HE3 MET A 24 3.631 -5.135 3.178 1.00 40.33 H new ATOM 394 N GLU A 25 6.968 -4.769 -2.467 1.00 12.23 N ATOM 395 CA GLU A 25 8.375 -4.722 -2.891 1.00 34.31 C ATOM 396 C GLU A 25 8.740 -3.361 -3.508 1.00 13.53 C ATOM 397 O GLU A 25 9.826 -2.834 -3.254 1.00 12.54 O ATOM 398 CB GLU A 25 8.690 -5.848 -3.893 1.00 74.51 C ATOM 399 CG GLU A 25 8.430 -7.258 -3.375 1.00 13.41 C ATOM 400 CD GLU A 25 9.122 -7.571 -2.069 1.00 30.14 C ATOM 401 OE1 GLU A 25 10.362 -7.442 -1.990 1.00 24.10 O ATOM 402 OE2 GLU A 25 8.424 -7.948 -1.108 1.00 22.55 O ATOM 0 H GLU A 25 6.387 -5.395 -3.025 1.00 12.23 H new ATOM 0 HA GLU A 25 8.979 -4.865 -1.995 1.00 34.31 H new ATOM 0 HB2 GLU A 25 8.095 -5.691 -4.793 1.00 74.51 H new ATOM 0 HB3 GLU A 25 9.737 -5.771 -4.186 1.00 74.51 H new ATOM 0 HG2 GLU A 25 7.356 -7.395 -3.247 1.00 13.41 H new ATOM 0 HG3 GLU A 25 8.755 -7.976 -4.128 1.00 13.41 H new ATOM 409 N ASN A 26 7.818 -2.796 -4.307 1.00 34.11 N ATOM 410 CA ASN A 26 8.013 -1.480 -4.932 1.00 35.22 C ATOM 411 C ASN A 26 7.974 -0.369 -3.904 1.00 31.10 C ATOM 412 O ASN A 26 8.803 0.516 -3.952 1.00 13.42 O ATOM 413 CB ASN A 26 6.960 -1.189 -6.011 1.00 15.31 C ATOM 414 CG ASN A 26 7.404 -1.585 -7.409 1.00 14.01 C ATOM 415 OD1 ASN A 26 7.999 -0.789 -8.130 1.00 2.23 O ATOM 416 ND2 ASN A 26 7.099 -2.805 -7.810 1.00 10.34 N ATOM 0 H ASN A 26 6.926 -3.235 -4.535 1.00 34.11 H new ATOM 0 HA ASN A 26 8.997 -1.513 -5.400 1.00 35.22 H new ATOM 0 HB2 ASN A 26 6.041 -1.722 -5.765 1.00 15.31 H new ATOM 0 HB3 ASN A 26 6.724 -0.125 -6.000 1.00 15.31 H new ATOM 0 HD21 ASN A 26 7.359 -3.114 -8.747 1.00 10.34 H new ATOM 0 HD22 ASN A 26 6.604 -3.439 -7.183 1.00 10.34 H new ATOM 423 N ILE A 27 7.024 -0.448 -2.966 1.00 34.03 N ATOM 424 CA ILE A 27 6.844 0.574 -1.933 1.00 75.24 C ATOM 425 C ILE A 27 8.077 0.689 -1.010 1.00 54.41 C ATOM 426 O ILE A 27 8.535 1.800 -0.750 1.00 71.01 O ATOM 427 CB ILE A 27 5.528 0.319 -1.127 1.00 72.20 C ATOM 428 CG1 ILE A 27 4.313 0.735 -1.981 1.00 10.51 C ATOM 429 CG2 ILE A 27 5.513 1.049 0.212 1.00 71.34 C ATOM 430 CD1 ILE A 27 2.955 0.456 -1.354 1.00 72.13 C ATOM 0 H ILE A 27 6.361 -1.220 -2.903 1.00 34.03 H new ATOM 0 HA ILE A 27 6.746 1.538 -2.432 1.00 75.24 H new ATOM 0 HB ILE A 27 5.477 -0.747 -0.904 1.00 72.20 H new ATOM 0 HG12 ILE A 27 4.386 1.802 -2.192 1.00 10.51 H new ATOM 0 HG13 ILE A 27 4.367 0.216 -2.938 1.00 10.51 H new ATOM 0 HG21 ILE A 27 4.578 0.838 0.731 1.00 71.34 H new ATOM 0 HG22 ILE A 27 6.351 0.709 0.821 1.00 71.34 H new ATOM 0 HG23 ILE A 27 5.600 2.122 0.042 1.00 71.34 H new ATOM 0 HD11 ILE A 27 2.167 0.784 -2.032 1.00 72.13 H new ATOM 0 HD12 ILE A 27 2.852 -0.613 -1.169 1.00 72.13 H new ATOM 0 HD13 ILE A 27 2.871 0.997 -0.411 1.00 72.13 H new ATOM 442 N ASN A 28 8.638 -0.455 -0.585 1.00 61.40 N ATOM 443 CA ASN A 28 9.802 -0.482 0.320 1.00 62.02 C ATOM 444 C ASN A 28 11.054 0.151 -0.294 1.00 73.21 C ATOM 445 O ASN A 28 11.788 0.863 0.389 1.00 44.54 O ATOM 446 CB ASN A 28 10.121 -1.916 0.749 1.00 62.20 C ATOM 447 CG ASN A 28 9.154 -2.444 1.786 1.00 10.23 C ATOM 448 OD1 ASN A 28 8.608 -1.689 2.581 1.00 22.22 O ATOM 449 ND2 ASN A 28 8.952 -3.748 1.796 1.00 74.33 N ATOM 0 H ASN A 28 8.302 -1.380 -0.855 1.00 61.40 H new ATOM 0 HA ASN A 28 9.522 0.115 1.188 1.00 62.02 H new ATOM 0 HB2 ASN A 28 10.100 -2.566 -0.126 1.00 62.20 H new ATOM 0 HB3 ASN A 28 11.134 -1.954 1.150 1.00 62.20 H new ATOM 0 HD21 ASN A 28 8.322 -4.161 2.483 1.00 74.33 H new ATOM 0 HD22 ASN A 28 9.426 -4.343 1.116 1.00 74.33 H new ATOM 456 N ALA A 29 11.281 -0.100 -1.583 1.00 40.23 N ATOM 457 CA ALA A 29 12.472 0.398 -2.271 1.00 21.32 C ATOM 458 C ALA A 29 12.303 1.834 -2.792 1.00 61.33 C ATOM 459 O ALA A 29 13.289 2.545 -2.987 1.00 12.24 O ATOM 460 CB ALA A 29 12.833 -0.534 -3.418 1.00 71.52 C ATOM 0 H ALA A 29 10.654 -0.647 -2.173 1.00 40.23 H new ATOM 0 HA ALA A 29 13.279 0.420 -1.539 1.00 21.32 H new ATOM 0 HB1 ALA A 29 13.721 -0.158 -3.927 1.00 71.52 H new ATOM 0 HB2 ALA A 29 13.034 -1.531 -3.027 1.00 71.52 H new ATOM 0 HB3 ALA A 29 12.003 -0.581 -4.123 1.00 71.52 H new ATOM 466 N ALA A 30 11.061 2.262 -2.991 1.00 42.23 N ATOM 467 CA ALA A 30 10.784 3.535 -3.649 1.00 11.35 C ATOM 468 C ALA A 30 10.122 4.554 -2.728 1.00 63.34 C ATOM 469 O ALA A 30 9.538 5.516 -3.220 1.00 24.35 O ATOM 470 CB ALA A 30 9.940 3.304 -4.897 1.00 24.12 C ATOM 0 H ALA A 30 10.229 1.746 -2.706 1.00 42.23 H new ATOM 0 HA ALA A 30 11.745 3.963 -3.933 1.00 11.35 H new ATOM 0 HB1 ALA A 30 9.738 4.259 -5.382 1.00 24.12 H new ATOM 0 HB2 ALA A 30 10.480 2.654 -5.586 1.00 24.12 H new ATOM 0 HB3 ALA A 30 8.998 2.833 -4.617 1.00 24.12 H new ATOM 476 N LEU A 31 10.235 4.353 -1.403 1.00 1.54 N ATOM 477 CA LEU A 31 9.738 5.318 -0.401 1.00 61.21 C ATOM 478 C LEU A 31 10.218 6.776 -0.632 1.00 3.45 C ATOM 479 O LEU A 31 9.371 7.670 -0.699 1.00 44.15 O ATOM 480 CB LEU A 31 10.091 4.871 1.029 1.00 11.23 C ATOM 481 CG LEU A 31 9.226 3.761 1.628 1.00 71.34 C ATOM 482 CD1 LEU A 31 9.778 3.327 2.975 1.00 11.14 C ATOM 483 CD2 LEU A 31 7.796 4.236 1.784 1.00 52.54 C ATOM 0 H LEU A 31 10.670 3.524 -0.997 1.00 1.54 H new ATOM 0 HA LEU A 31 8.655 5.323 -0.527 1.00 61.21 H new ATOM 0 HB2 LEU A 31 11.129 4.537 1.036 1.00 11.23 H new ATOM 0 HB3 LEU A 31 10.032 5.741 1.683 1.00 11.23 H new ATOM 0 HG LEU A 31 9.243 2.907 0.950 1.00 71.34 H new ATOM 0 HD11 LEU A 31 9.151 2.537 3.388 1.00 11.14 H new ATOM 0 HD12 LEU A 31 10.795 2.955 2.849 1.00 11.14 H new ATOM 0 HD13 LEU A 31 9.785 4.178 3.657 1.00 11.14 H new ATOM 0 HD21 LEU A 31 7.191 3.436 2.211 1.00 52.54 H new ATOM 0 HD22 LEU A 31 7.770 5.103 2.445 1.00 52.54 H new ATOM 0 HD23 LEU A 31 7.396 4.512 0.808 1.00 52.54 H new ATOM 495 N PRO A 32 11.558 7.077 -0.788 1.00 72.23 N ATOM 496 CA PRO A 32 12.019 8.452 -1.059 1.00 14.44 C ATOM 497 C PRO A 32 11.627 8.984 -2.450 1.00 72.11 C ATOM 498 O PRO A 32 11.669 10.187 -2.684 1.00 4.34 O ATOM 499 CB PRO A 32 13.540 8.353 -0.948 1.00 71.45 C ATOM 500 CG PRO A 32 13.853 6.936 -1.250 1.00 33.52 C ATOM 501 CD PRO A 32 12.719 6.150 -0.681 1.00 42.33 C ATOM 0 HA PRO A 32 11.558 9.153 -0.363 1.00 14.44 H new ATOM 0 HB2 PRO A 32 14.032 9.025 -1.651 1.00 71.45 H new ATOM 0 HB3 PRO A 32 13.882 8.629 0.049 1.00 71.45 H new ATOM 0 HG2 PRO A 32 13.944 6.774 -2.324 1.00 33.52 H new ATOM 0 HG3 PRO A 32 14.801 6.639 -0.802 1.00 33.52 H new ATOM 0 HD2 PRO A 32 12.549 5.230 -1.240 1.00 42.33 H new ATOM 0 HD3 PRO A 32 12.909 5.864 0.354 1.00 42.33 H new ATOM 509 N PHE A 33 11.213 8.092 -3.350 1.00 40.54 N ATOM 510 CA PHE A 33 10.911 8.460 -4.732 1.00 24.42 C ATOM 511 C PHE A 33 9.412 8.704 -4.932 1.00 2.33 C ATOM 512 O PHE A 33 8.980 9.040 -6.033 1.00 62.43 O ATOM 513 CB PHE A 33 11.396 7.365 -5.693 1.00 74.20 C ATOM 514 CG PHE A 33 12.847 7.001 -5.513 1.00 72.14 C ATOM 515 CD1 PHE A 33 13.853 7.885 -5.875 1.00 52.14 C ATOM 516 CD2 PHE A 33 13.204 5.777 -4.975 1.00 34.22 C ATOM 517 CE1 PHE A 33 15.182 7.554 -5.697 1.00 32.42 C ATOM 518 CE2 PHE A 33 14.531 5.441 -4.794 1.00 62.12 C ATOM 519 CZ PHE A 33 15.521 6.330 -5.160 1.00 44.41 C ATOM 0 H PHE A 33 11.079 7.102 -3.144 1.00 40.54 H new ATOM 0 HA PHE A 33 11.437 9.389 -4.950 1.00 24.42 H new ATOM 0 HB2 PHE A 33 10.786 6.473 -5.551 1.00 74.20 H new ATOM 0 HB3 PHE A 33 11.239 7.698 -6.719 1.00 74.20 H new ATOM 0 HD1 PHE A 33 13.594 8.843 -6.301 1.00 52.14 H new ATOM 0 HD2 PHE A 33 12.434 5.075 -4.693 1.00 34.22 H new ATOM 0 HE1 PHE A 33 15.955 8.253 -5.978 1.00 32.42 H new ATOM 0 HE2 PHE A 33 14.794 4.484 -4.367 1.00 62.12 H new ATOM 0 HZ PHE A 33 16.560 6.067 -5.026 1.00 44.41 H new ATOM 529 N MET A 34 8.630 8.525 -3.863 1.00 34.24 N ATOM 530 CA MET A 34 7.188 8.761 -3.896 1.00 13.03 C ATOM 531 C MET A 34 6.862 10.248 -3.815 1.00 63.15 C ATOM 532 O MET A 34 6.562 10.884 -4.821 1.00 44.01 O ATOM 533 CB MET A 34 6.484 8.067 -2.726 1.00 41.42 C ATOM 534 CG MET A 34 6.511 6.565 -2.752 1.00 31.42 C ATOM 535 SD MET A 34 5.800 5.875 -1.258 1.00 35.35 S ATOM 536 CE MET A 34 6.017 4.149 -1.607 1.00 30.42 C ATOM 0 H MET A 34 8.979 8.214 -2.956 1.00 34.24 H new ATOM 0 HA MET A 34 6.835 8.354 -4.843 1.00 13.03 H new ATOM 0 HB2 MET A 34 6.943 8.405 -1.797 1.00 41.42 H new ATOM 0 HB3 MET A 34 5.444 8.394 -2.705 1.00 41.42 H new ATOM 0 HG2 MET A 34 5.959 6.204 -3.620 1.00 31.42 H new ATOM 0 HG3 MET A 34 7.539 6.219 -2.861 1.00 31.42 H new ATOM 0 HE1 MET A 34 5.122 3.603 -1.311 1.00 30.42 H new ATOM 0 HE2 MET A 34 6.189 4.012 -2.675 1.00 30.42 H new ATOM 0 HE3 MET A 34 6.874 3.770 -1.050 1.00 30.42 H new ATOM 546 N ASP A 35 6.951 10.782 -2.594 1.00 62.22 N ATOM 547 CA ASP A 35 6.439 12.097 -2.270 1.00 20.33 C ATOM 548 C ASP A 35 7.067 12.571 -0.949 1.00 5.32 C ATOM 549 O ASP A 35 8.175 13.114 -0.955 1.00 45.10 O ATOM 550 CB ASP A 35 4.885 12.030 -2.208 1.00 0.45 C ATOM 551 CG ASP A 35 4.205 13.312 -1.775 1.00 4.14 C ATOM 552 OD1 ASP A 35 4.292 14.321 -2.501 1.00 61.32 O ATOM 553 OD2 ASP A 35 3.588 13.304 -0.692 1.00 34.13 O ATOM 0 H ASP A 35 7.385 10.304 -1.804 1.00 62.22 H new ATOM 0 HA ASP A 35 6.707 12.826 -3.035 1.00 20.33 H new ATOM 0 HB2 ASP A 35 4.509 11.752 -3.193 1.00 0.45 H new ATOM 0 HB3 ASP A 35 4.598 11.234 -1.521 1.00 0.45 H new ATOM 558 N GLU A 36 6.393 12.253 0.169 1.00 60.30 N ATOM 559 CA GLU A 36 6.746 12.712 1.519 1.00 60.34 C ATOM 560 C GLU A 36 5.679 12.208 2.489 1.00 65.43 C ATOM 561 O GLU A 36 5.981 11.553 3.486 1.00 23.41 O ATOM 562 CB GLU A 36 6.829 14.255 1.588 1.00 74.24 C ATOM 563 CG GLU A 36 7.370 14.807 2.901 1.00 33.11 C ATOM 564 CD GLU A 36 8.749 14.275 3.245 1.00 22.34 C ATOM 565 OE1 GLU A 36 8.838 13.209 3.872 1.00 23.00 O ATOM 566 OE2 GLU A 36 9.749 14.923 2.894 1.00 32.25 O ATOM 0 H GLU A 36 5.567 11.654 0.156 1.00 60.30 H new ATOM 0 HA GLU A 36 7.727 12.318 1.784 1.00 60.34 H new ATOM 0 HB2 GLU A 36 7.462 14.608 0.774 1.00 74.24 H new ATOM 0 HB3 GLU A 36 5.834 14.666 1.420 1.00 74.24 H new ATOM 0 HG2 GLU A 36 7.411 15.895 2.842 1.00 33.11 H new ATOM 0 HG3 GLU A 36 6.679 14.557 3.706 1.00 33.11 H new ATOM 573 N ASP A 37 4.421 12.489 2.147 1.00 34.44 N ATOM 574 CA ASP A 37 3.266 12.050 2.929 1.00 1.13 C ATOM 575 C ASP A 37 3.055 10.554 2.723 1.00 13.33 C ATOM 576 O ASP A 37 2.758 9.825 3.667 1.00 14.22 O ATOM 577 CB ASP A 37 2.027 12.823 2.479 1.00 21.10 C ATOM 578 CG ASP A 37 0.852 12.691 3.422 1.00 14.10 C ATOM 579 OD1 ASP A 37 0.076 11.732 3.285 1.00 15.22 O ATOM 580 OD2 ASP A 37 0.691 13.562 4.299 1.00 63.11 O ATOM 0 H ASP A 37 4.174 13.029 1.318 1.00 34.44 H new ATOM 0 HA ASP A 37 3.441 12.242 3.988 1.00 1.13 H new ATOM 0 HB2 ASP A 37 2.284 13.877 2.379 1.00 21.10 H new ATOM 0 HB3 ASP A 37 1.730 12.472 1.491 1.00 21.10 H new ATOM 585 N MET A 38 3.284 10.124 1.473 1.00 2.35 N ATOM 586 CA MET A 38 3.185 8.719 1.045 1.00 12.00 C ATOM 587 C MET A 38 4.185 7.799 1.754 1.00 64.44 C ATOM 588 O MET A 38 3.942 6.603 1.859 1.00 24.30 O ATOM 589 CB MET A 38 3.360 8.609 -0.471 1.00 73.04 C ATOM 590 CG MET A 38 2.059 8.718 -1.255 1.00 31.13 C ATOM 591 SD MET A 38 1.246 10.319 -1.107 1.00 21.43 S ATOM 592 CE MET A 38 -0.317 9.954 -1.906 1.00 24.54 C ATOM 0 H MET A 38 3.548 10.755 0.716 1.00 2.35 H new ATOM 0 HA MET A 38 2.188 8.382 1.329 1.00 12.00 H new ATOM 0 HB2 MET A 38 4.040 9.392 -0.806 1.00 73.04 H new ATOM 0 HB3 MET A 38 3.833 7.655 -0.703 1.00 73.04 H new ATOM 0 HG2 MET A 38 2.264 8.522 -2.308 1.00 31.13 H new ATOM 0 HG3 MET A 38 1.375 7.942 -0.913 1.00 31.13 H new ATOM 0 HE1 MET A 38 -1.118 10.493 -1.401 1.00 24.54 H new ATOM 0 HE2 MET A 38 -0.273 10.264 -2.950 1.00 24.54 H new ATOM 0 HE3 MET A 38 -0.511 8.883 -1.853 1.00 24.54 H new ATOM 602 N ARG A 39 5.308 8.366 2.215 1.00 14.21 N ATOM 603 CA ARG A 39 6.323 7.630 2.987 1.00 4.01 C ATOM 604 C ARG A 39 5.744 7.110 4.313 1.00 31.41 C ATOM 605 O ARG A 39 5.835 5.918 4.614 1.00 75.04 O ATOM 606 CB ARG A 39 7.523 8.538 3.274 1.00 62.10 C ATOM 607 CG ARG A 39 8.241 9.017 2.025 1.00 60.05 C ATOM 608 CD ARG A 39 9.245 10.127 2.316 1.00 40.15 C ATOM 609 NE ARG A 39 10.318 9.703 3.214 1.00 41.14 N ATOM 610 CZ ARG A 39 11.328 10.478 3.620 1.00 71.04 C ATOM 611 NH1 ARG A 39 11.422 11.740 3.231 1.00 23.53 N ATOM 612 NH2 ARG A 39 12.238 9.988 4.432 1.00 25.51 N ATOM 0 H ARG A 39 5.540 9.348 2.064 1.00 14.21 H new ATOM 0 HA ARG A 39 6.643 6.775 2.392 1.00 4.01 H new ATOM 0 HB2 ARG A 39 7.184 9.404 3.842 1.00 62.10 H new ATOM 0 HB3 ARG A 39 8.231 8.001 3.905 1.00 62.10 H new ATOM 0 HG2 ARG A 39 8.758 8.176 1.563 1.00 60.05 H new ATOM 0 HG3 ARG A 39 7.507 9.376 1.303 1.00 60.05 H new ATOM 0 HD2 ARG A 39 9.679 10.473 1.378 1.00 40.15 H new ATOM 0 HD3 ARG A 39 8.723 10.976 2.758 1.00 40.15 H new ATOM 0 HE ARG A 39 10.294 8.743 3.557 1.00 41.14 H new ATOM 0 HH11 ARG A 39 10.716 12.136 2.611 1.00 23.53 H new ATOM 0 HH12 ARG A 39 12.200 12.316 3.552 1.00 23.53 H new ATOM 0 HH21 ARG A 39 12.171 9.021 4.749 1.00 25.51 H new ATOM 0 HH22 ARG A 39 13.011 10.575 4.745 1.00 25.51 H new ATOM 626 N GLU A 40 5.135 8.021 5.086 1.00 70.33 N ATOM 627 CA GLU A 40 4.492 7.696 6.370 1.00 14.03 C ATOM 628 C GLU A 40 3.234 6.851 6.170 1.00 73.22 C ATOM 629 O GLU A 40 2.930 5.969 6.975 1.00 24.32 O ATOM 630 CB GLU A 40 4.105 8.987 7.089 1.00 65.11 C ATOM 631 CG GLU A 40 5.257 9.939 7.311 1.00 23.12 C ATOM 632 CD GLU A 40 4.809 11.213 7.970 1.00 2.34 C ATOM 633 OE1 GLU A 40 4.809 11.269 9.211 1.00 0.23 O ATOM 634 OE2 GLU A 40 4.435 12.159 7.257 1.00 41.33 O ATOM 0 H GLU A 40 5.074 9.009 4.838 1.00 70.33 H new ATOM 0 HA GLU A 40 5.205 7.124 6.963 1.00 14.03 H new ATOM 0 HB2 GLU A 40 3.334 9.495 6.510 1.00 65.11 H new ATOM 0 HB3 GLU A 40 3.665 8.735 8.054 1.00 65.11 H new ATOM 0 HG2 GLU A 40 6.013 9.456 7.930 1.00 23.12 H new ATOM 0 HG3 GLU A 40 5.727 10.170 6.355 1.00 23.12 H new ATOM 641 N LEU A 41 2.522 7.156 5.084 1.00 54.00 N ATOM 642 CA LEU A 41 1.294 6.471 4.676 1.00 11.31 C ATOM 643 C LEU A 41 1.530 4.976 4.432 1.00 11.40 C ATOM 644 O LEU A 41 0.709 4.145 4.815 1.00 51.12 O ATOM 645 CB LEU A 41 0.788 7.161 3.402 1.00 4.54 C ATOM 646 CG LEU A 41 -0.435 6.572 2.705 1.00 52.02 C ATOM 647 CD1 LEU A 41 -1.647 6.592 3.615 1.00 41.34 C ATOM 648 CD2 LEU A 41 -0.707 7.360 1.435 1.00 30.41 C ATOM 0 H LEU A 41 2.790 7.906 4.447 1.00 54.00 H new ATOM 0 HA LEU A 41 0.552 6.536 5.472 1.00 11.31 H new ATOM 0 HB2 LEU A 41 0.563 8.198 3.651 1.00 4.54 H new ATOM 0 HB3 LEU A 41 1.607 7.176 2.683 1.00 4.54 H new ATOM 0 HG LEU A 41 -0.234 5.531 2.454 1.00 52.02 H new ATOM 0 HD11 LEU A 41 -2.503 6.166 3.091 1.00 41.34 H new ATOM 0 HD12 LEU A 41 -1.440 6.004 4.509 1.00 41.34 H new ATOM 0 HD13 LEU A 41 -1.871 7.620 3.900 1.00 41.34 H new ATOM 0 HD21 LEU A 41 -1.580 6.946 0.930 1.00 30.41 H new ATOM 0 HD22 LEU A 41 -0.895 8.404 1.688 1.00 30.41 H new ATOM 0 HD23 LEU A 41 0.158 7.297 0.775 1.00 30.41 H new ATOM 660 N ALA A 42 2.693 4.668 3.852 1.00 12.22 N ATOM 661 CA ALA A 42 3.071 3.314 3.466 1.00 23.23 C ATOM 662 C ALA A 42 3.180 2.362 4.645 1.00 70.10 C ATOM 663 O ALA A 42 2.804 1.210 4.521 1.00 12.52 O ATOM 664 CB ALA A 42 4.380 3.350 2.717 1.00 0.12 C ATOM 0 H ALA A 42 3.406 5.365 3.636 1.00 12.22 H new ATOM 0 HA ALA A 42 2.274 2.932 2.828 1.00 23.23 H new ATOM 0 HB1 ALA A 42 4.662 2.337 2.429 1.00 0.12 H new ATOM 0 HB2 ALA A 42 4.271 3.965 1.823 1.00 0.12 H new ATOM 0 HB3 ALA A 42 5.154 3.774 3.357 1.00 0.12 H new ATOM 670 N LYS A 43 3.663 2.866 5.785 1.00 5.43 N ATOM 671 CA LYS A 43 3.858 2.054 6.998 1.00 54.32 C ATOM 672 C LYS A 43 2.543 1.445 7.494 1.00 1.11 C ATOM 673 O LYS A 43 2.502 0.274 7.876 1.00 63.41 O ATOM 674 CB LYS A 43 4.473 2.905 8.108 1.00 64.22 C ATOM 675 CG LYS A 43 5.842 3.458 7.773 1.00 41.25 C ATOM 676 CD LYS A 43 6.354 4.344 8.891 1.00 3.53 C ATOM 677 CE LYS A 43 7.747 4.870 8.594 1.00 21.43 C ATOM 678 NZ LYS A 43 8.250 5.741 9.684 1.00 42.24 N ATOM 0 H LYS A 43 3.930 3.844 5.896 1.00 5.43 H new ATOM 0 HA LYS A 43 4.533 1.239 6.738 1.00 54.32 H new ATOM 0 HB2 LYS A 43 3.802 3.735 8.330 1.00 64.22 H new ATOM 0 HB3 LYS A 43 4.547 2.304 9.014 1.00 64.22 H new ATOM 0 HG2 LYS A 43 6.539 2.637 7.605 1.00 41.25 H new ATOM 0 HG3 LYS A 43 5.792 4.028 6.845 1.00 41.25 H new ATOM 0 HD2 LYS A 43 5.671 5.181 9.034 1.00 3.53 H new ATOM 0 HD3 LYS A 43 6.368 3.781 9.824 1.00 3.53 H new ATOM 0 HE2 LYS A 43 8.430 4.032 8.454 1.00 21.43 H new ATOM 0 HE3 LYS A 43 7.733 5.430 7.659 1.00 21.43 H new ATOM 0 HZ1 LYS A 43 9.203 6.081 9.445 1.00 42.24 H new ATOM 0 HZ2 LYS A 43 7.612 6.554 9.801 1.00 42.24 H new ATOM 0 HZ3 LYS A 43 8.288 5.200 10.571 1.00 42.24 H new ATOM 692 N ARG A 44 1.473 2.238 7.441 1.00 71.32 N ATOM 693 CA ARG A 44 0.158 1.806 7.907 1.00 75.13 C ATOM 694 C ARG A 44 -0.533 0.858 6.924 1.00 0.21 C ATOM 695 O ARG A 44 -1.227 -0.068 7.347 1.00 74.00 O ATOM 696 CB ARG A 44 -0.729 3.021 8.177 1.00 15.10 C ATOM 697 CG ARG A 44 -0.322 3.816 9.410 1.00 53.33 C ATOM 698 CD ARG A 44 -1.231 5.014 9.640 1.00 13.34 C ATOM 699 NE ARG A 44 -0.983 6.099 8.683 1.00 0.22 N ATOM 700 CZ ARG A 44 -1.871 6.573 7.811 1.00 64.55 C ATOM 701 NH1 ARG A 44 -3.070 6.032 7.725 1.00 3.24 N ATOM 702 NH2 ARG A 44 -1.554 7.596 7.033 1.00 71.03 N ATOM 0 H ARG A 44 1.494 3.190 7.077 1.00 71.32 H new ATOM 0 HA ARG A 44 0.313 1.250 8.832 1.00 75.13 H new ATOM 0 HB2 ARG A 44 -0.704 3.678 7.308 1.00 15.10 H new ATOM 0 HB3 ARG A 44 -1.760 2.688 8.295 1.00 15.10 H new ATOM 0 HG2 ARG A 44 -0.349 3.167 10.285 1.00 53.33 H new ATOM 0 HG3 ARG A 44 0.707 4.158 9.298 1.00 53.33 H new ATOM 0 HD2 ARG A 44 -2.271 4.697 9.564 1.00 13.34 H new ATOM 0 HD3 ARG A 44 -1.085 5.387 10.654 1.00 13.34 H new ATOM 0 HE ARG A 44 -0.056 6.524 8.686 1.00 0.22 H new ATOM 0 HH11 ARG A 44 -3.320 5.248 8.327 1.00 3.24 H new ATOM 0 HH12 ARG A 44 -3.748 6.398 7.056 1.00 3.24 H new ATOM 0 HH21 ARG A 44 -0.629 8.021 7.101 1.00 71.03 H new ATOM 0 HH22 ARG A 44 -2.234 7.959 6.365 1.00 71.03 H new ATOM 716 N THR A 45 -0.331 1.077 5.625 1.00 42.54 N ATOM 717 CA THR A 45 -0.999 0.276 4.603 1.00 10.22 C ATOM 718 C THR A 45 -0.312 -1.086 4.413 1.00 74.21 C ATOM 719 O THR A 45 -0.992 -2.098 4.242 1.00 32.00 O ATOM 720 CB THR A 45 -1.053 1.011 3.248 1.00 52.40 C ATOM 721 OG1 THR A 45 -1.245 2.417 3.449 1.00 1.43 O ATOM 722 CG2 THR A 45 -2.195 0.480 2.401 1.00 61.20 C ATOM 0 H THR A 45 0.288 1.800 5.258 1.00 42.54 H new ATOM 0 HA THR A 45 -2.017 0.113 4.957 1.00 10.22 H new ATOM 0 HB THR A 45 -0.106 0.839 2.736 1.00 52.40 H new ATOM 0 HG1 THR A 45 -0.413 2.817 3.778 1.00 1.43 H new ATOM 0 HG21 THR A 45 -2.218 1.010 1.449 1.00 61.20 H new ATOM 0 HG22 THR A 45 -2.049 -0.585 2.220 1.00 61.20 H new ATOM 0 HG23 THR A 45 -3.138 0.634 2.925 1.00 61.20 H new ATOM 730 N LEU A 46 1.030 -1.109 4.473 1.00 12.12 N ATOM 731 CA LEU A 46 1.813 -2.345 4.312 1.00 11.33 C ATOM 732 C LEU A 46 1.587 -3.322 5.452 1.00 30.12 C ATOM 733 O LEU A 46 1.649 -4.521 5.240 1.00 64.34 O ATOM 734 CB LEU A 46 3.311 -2.056 4.233 1.00 12.01 C ATOM 735 CG LEU A 46 3.804 -1.293 3.008 1.00 54.01 C ATOM 736 CD1 LEU A 46 5.293 -1.045 3.147 1.00 72.53 C ATOM 737 CD2 LEU A 46 3.504 -2.055 1.727 1.00 4.44 C ATOM 0 H LEU A 46 1.599 -0.278 4.633 1.00 12.12 H new ATOM 0 HA LEU A 46 1.467 -2.790 3.379 1.00 11.33 H new ATOM 0 HB2 LEU A 46 3.595 -1.491 5.121 1.00 12.01 H new ATOM 0 HB3 LEU A 46 3.842 -3.007 4.277 1.00 12.01 H new ATOM 0 HG LEU A 46 3.279 -0.340 2.948 1.00 54.01 H new ATOM 0 HD11 LEU A 46 5.654 -0.500 2.275 1.00 72.53 H new ATOM 0 HD12 LEU A 46 5.482 -0.458 4.046 1.00 72.53 H new ATOM 0 HD13 LEU A 46 5.815 -1.999 3.220 1.00 72.53 H new ATOM 0 HD21 LEU A 46 3.867 -1.486 0.871 1.00 4.44 H new ATOM 0 HD22 LEU A 46 4.001 -3.025 1.755 1.00 4.44 H new ATOM 0 HD23 LEU A 46 2.428 -2.202 1.635 1.00 4.44 H new ATOM 749 N ALA A 47 1.314 -2.794 6.652 1.00 11.30 N ATOM 750 CA ALA A 47 1.024 -3.620 7.826 1.00 72.34 C ATOM 751 C ALA A 47 -0.320 -4.340 7.689 1.00 24.30 C ATOM 752 O ALA A 47 -0.542 -5.375 8.310 1.00 45.43 O ATOM 753 CB ALA A 47 1.035 -2.765 9.083 1.00 74.33 C ATOM 0 H ALA A 47 1.288 -1.791 6.834 1.00 11.30 H new ATOM 0 HA ALA A 47 1.802 -4.379 7.900 1.00 72.34 H new ATOM 0 HB1 ALA A 47 0.818 -3.389 9.950 1.00 74.33 H new ATOM 0 HB2 ALA A 47 2.017 -2.306 9.203 1.00 74.33 H new ATOM 0 HB3 ALA A 47 0.278 -1.985 8.999 1.00 74.33 H new ATOM 759 N LYS A 48 -1.202 -3.786 6.865 1.00 24.30 N ATOM 760 CA LYS A 48 -2.522 -4.349 6.648 1.00 63.34 C ATOM 761 C LYS A 48 -2.528 -5.380 5.514 1.00 5.34 C ATOM 762 O LYS A 48 -3.334 -6.306 5.530 1.00 4.44 O ATOM 763 CB LYS A 48 -3.527 -3.232 6.371 1.00 31.22 C ATOM 764 CG LYS A 48 -3.768 -2.312 7.563 1.00 55.14 C ATOM 765 CD LYS A 48 -4.230 -3.097 8.783 1.00 24.15 C ATOM 766 CE LYS A 48 -4.496 -2.200 9.976 1.00 30.13 C ATOM 767 NZ LYS A 48 -4.972 -2.976 11.150 1.00 1.45 N ATOM 0 H LYS A 48 -1.019 -2.936 6.331 1.00 24.30 H new ATOM 0 HA LYS A 48 -2.814 -4.875 7.557 1.00 63.34 H new ATOM 0 HB2 LYS A 48 -3.172 -2.636 5.530 1.00 31.22 H new ATOM 0 HB3 LYS A 48 -4.476 -3.676 6.069 1.00 31.22 H new ATOM 0 HG2 LYS A 48 -2.851 -1.773 7.801 1.00 55.14 H new ATOM 0 HG3 LYS A 48 -4.518 -1.565 7.303 1.00 55.14 H new ATOM 0 HD2 LYS A 48 -5.137 -3.648 8.536 1.00 24.15 H new ATOM 0 HD3 LYS A 48 -3.472 -3.834 9.047 1.00 24.15 H new ATOM 0 HE2 LYS A 48 -3.584 -1.664 10.239 1.00 30.13 H new ATOM 0 HE3 LYS A 48 -5.241 -1.450 9.709 1.00 30.13 H new ATOM 0 HZ1 LYS A 48 -5.144 -2.330 11.947 1.00 1.45 H new ATOM 0 HZ2 LYS A 48 -5.856 -3.467 10.906 1.00 1.45 H new ATOM 0 HZ3 LYS A 48 -4.250 -3.675 11.420 1.00 1.45 H new ATOM 781 N ILE A 49 -1.618 -5.230 4.545 1.00 3.41 N ATOM 782 CA ILE A 49 -1.564 -6.140 3.388 1.00 14.41 C ATOM 783 C ILE A 49 -0.579 -7.297 3.650 1.00 14.23 C ATOM 784 O ILE A 49 -0.690 -8.357 3.035 1.00 71.33 O ATOM 785 CB ILE A 49 -1.192 -5.374 2.073 1.00 40.22 C ATOM 786 CG1 ILE A 49 -2.089 -4.135 1.915 1.00 32.43 C ATOM 787 CG2 ILE A 49 -1.343 -6.273 0.840 1.00 44.24 C ATOM 788 CD1 ILE A 49 -1.775 -3.299 0.696 1.00 63.50 C ATOM 0 H ILE A 49 -0.912 -4.494 4.535 1.00 3.41 H new ATOM 0 HA ILE A 49 -2.559 -6.562 3.250 1.00 14.41 H new ATOM 0 HB ILE A 49 -0.149 -5.068 2.150 1.00 40.22 H new ATOM 0 HG12 ILE A 49 -3.129 -4.457 1.864 1.00 32.43 H new ATOM 0 HG13 ILE A 49 -1.991 -3.513 2.805 1.00 32.43 H new ATOM 0 HG21 ILE A 49 -1.077 -5.711 -0.055 1.00 44.24 H new ATOM 0 HG22 ILE A 49 -0.684 -7.136 0.936 1.00 44.24 H new ATOM 0 HG23 ILE A 49 -2.376 -6.613 0.762 1.00 44.24 H new ATOM 0 HD11 ILE A 49 -2.451 -2.445 0.657 1.00 63.50 H new ATOM 0 HD12 ILE A 49 -0.746 -2.945 0.753 1.00 63.50 H new ATOM 0 HD13 ILE A 49 -1.902 -3.903 -0.202 1.00 63.50 H new ATOM 800 N ALA A 50 0.356 -7.095 4.596 1.00 51.52 N ATOM 801 CA ALA A 50 1.339 -8.123 5.006 1.00 24.24 C ATOM 802 C ALA A 50 0.719 -9.483 5.422 1.00 72.51 C ATOM 803 O ALA A 50 1.205 -10.506 4.945 1.00 41.31 O ATOM 804 CB ALA A 50 2.253 -7.598 6.114 1.00 51.53 C ATOM 0 H ALA A 50 0.454 -6.214 5.100 1.00 51.52 H new ATOM 0 HA ALA A 50 1.923 -8.325 4.108 1.00 24.24 H new ATOM 0 HB1 ALA A 50 2.965 -8.373 6.396 1.00 51.53 H new ATOM 0 HB2 ALA A 50 2.793 -6.722 5.755 1.00 51.53 H new ATOM 0 HB3 ALA A 50 1.653 -7.324 6.981 1.00 51.53 H new ATOM 810 N PRO A 51 -0.351 -9.562 6.294 1.00 70.52 N ATOM 811 CA PRO A 51 -0.977 -10.854 6.624 1.00 52.31 C ATOM 812 C PRO A 51 -1.987 -11.360 5.572 1.00 22.40 C ATOM 813 O PRO A 51 -2.656 -12.371 5.783 1.00 35.32 O ATOM 814 CB PRO A 51 -1.691 -10.559 7.940 1.00 72.02 C ATOM 815 CG PRO A 51 -2.097 -9.136 7.827 1.00 72.32 C ATOM 816 CD PRO A 51 -0.996 -8.462 7.068 1.00 45.54 C ATOM 0 HA PRO A 51 -0.232 -11.648 6.670 1.00 52.31 H new ATOM 0 HB2 PRO A 51 -2.555 -11.209 8.078 1.00 72.02 H new ATOM 0 HB3 PRO A 51 -1.033 -10.718 8.794 1.00 72.02 H new ATOM 0 HG2 PRO A 51 -3.049 -9.040 7.305 1.00 72.32 H new ATOM 0 HG3 PRO A 51 -2.227 -8.686 8.811 1.00 72.32 H new ATOM 0 HD2 PRO A 51 -1.385 -7.687 6.408 1.00 45.54 H new ATOM 0 HD3 PRO A 51 -0.286 -7.981 7.741 1.00 45.54 H new ATOM 824 N LEU A 52 -2.094 -10.652 4.452 1.00 13.34 N ATOM 825 CA LEU A 52 -2.966 -11.054 3.355 1.00 33.44 C ATOM 826 C LEU A 52 -2.146 -11.762 2.288 1.00 70.35 C ATOM 827 O LEU A 52 -0.919 -11.740 2.329 1.00 65.11 O ATOM 828 CB LEU A 52 -3.663 -9.834 2.736 1.00 24.33 C ATOM 829 CG LEU A 52 -4.636 -9.078 3.645 1.00 74.33 C ATOM 830 CD1 LEU A 52 -5.122 -7.813 2.950 1.00 3.23 C ATOM 831 CD2 LEU A 52 -5.819 -9.957 4.017 1.00 11.23 C ATOM 0 H LEU A 52 -1.581 -9.787 4.280 1.00 13.34 H new ATOM 0 HA LEU A 52 -3.728 -11.728 3.748 1.00 33.44 H new ATOM 0 HB2 LEU A 52 -2.897 -9.136 2.399 1.00 24.33 H new ATOM 0 HB3 LEU A 52 -4.207 -10.163 1.850 1.00 24.33 H new ATOM 0 HG LEU A 52 -4.111 -8.804 4.560 1.00 74.33 H new ATOM 0 HD11 LEU A 52 -5.814 -7.282 3.604 1.00 3.23 H new ATOM 0 HD12 LEU A 52 -4.270 -7.171 2.725 1.00 3.23 H new ATOM 0 HD13 LEU A 52 -5.631 -8.079 2.023 1.00 3.23 H new ATOM 0 HD21 LEU A 52 -6.497 -9.400 4.663 1.00 11.23 H new ATOM 0 HD22 LEU A 52 -6.346 -10.260 3.112 1.00 11.23 H new ATOM 0 HD23 LEU A 52 -5.463 -10.843 4.543 1.00 11.23 H new ATOM 843 N THR A 53 -2.821 -12.398 1.345 1.00 60.41 N ATOM 844 CA THR A 53 -2.141 -12.979 0.199 1.00 31.14 C ATOM 845 C THR A 53 -2.336 -12.086 -1.024 1.00 12.13 C ATOM 846 O THR A 53 -2.998 -11.042 -0.951 1.00 70.42 O ATOM 847 CB THR A 53 -2.635 -14.415 -0.118 1.00 74.23 C ATOM 848 OG1 THR A 53 -4.020 -14.405 -0.459 1.00 65.14 O ATOM 849 CG2 THR A 53 -2.412 -15.344 1.063 1.00 74.41 C ATOM 0 H THR A 53 -3.833 -12.525 1.349 1.00 60.41 H new ATOM 0 HA THR A 53 -1.083 -13.047 0.450 1.00 31.14 H new ATOM 0 HB THR A 53 -2.057 -14.782 -0.966 1.00 74.23 H new ATOM 0 HG1 THR A 53 -4.315 -15.318 -0.658 1.00 65.14 H new ATOM 0 HG21 THR A 53 -2.768 -16.343 0.812 1.00 74.41 H new ATOM 0 HG22 THR A 53 -1.348 -15.386 1.297 1.00 74.41 H new ATOM 0 HG23 THR A 53 -2.960 -14.971 1.928 1.00 74.41 H new ATOM 857 N GLU A 54 -1.764 -12.508 -2.147 1.00 23.01 N ATOM 858 CA GLU A 54 -1.957 -11.832 -3.431 1.00 44.43 C ATOM 859 C GLU A 54 -3.343 -12.137 -4.000 1.00 53.01 C ATOM 860 O GLU A 54 -3.877 -11.368 -4.794 1.00 62.55 O ATOM 861 CB GLU A 54 -0.846 -12.193 -4.452 1.00 14.23 C ATOM 862 CG GLU A 54 -0.087 -13.507 -4.199 1.00 33.23 C ATOM 863 CD GLU A 54 -0.935 -14.762 -4.323 1.00 63.52 C ATOM 864 OE1 GLU A 54 -1.082 -15.272 -5.444 1.00 51.03 O ATOM 865 OE2 GLU A 54 -1.435 -15.249 -3.293 1.00 51.11 O ATOM 0 H GLU A 54 -1.155 -13.325 -2.196 1.00 23.01 H new ATOM 0 HA GLU A 54 -1.887 -10.760 -3.247 1.00 44.43 H new ATOM 0 HB2 GLU A 54 -1.296 -12.244 -5.443 1.00 14.23 H new ATOM 0 HB3 GLU A 54 -0.122 -11.378 -4.472 1.00 14.23 H new ATOM 0 HG2 GLU A 54 0.742 -13.574 -4.903 1.00 33.23 H new ATOM 0 HG3 GLU A 54 0.346 -13.474 -3.199 1.00 33.23 H new ATOM 872 N ASN A 55 -3.913 -13.252 -3.550 1.00 64.13 N ATOM 873 CA ASN A 55 -5.260 -13.661 -3.910 1.00 75.15 C ATOM 874 C ASN A 55 -6.299 -12.799 -3.174 1.00 24.52 C ATOM 875 O ASN A 55 -7.343 -12.461 -3.739 1.00 51.31 O ATOM 876 CB ASN A 55 -5.430 -15.145 -3.571 1.00 62.34 C ATOM 877 CG ASN A 55 -6.622 -15.789 -4.244 1.00 22.03 C ATOM 878 OD1 ASN A 55 -7.725 -15.806 -3.706 1.00 60.31 O ATOM 879 ND2 ASN A 55 -6.409 -16.335 -5.431 1.00 41.42 N ATOM 0 H ASN A 55 -3.444 -13.901 -2.918 1.00 64.13 H new ATOM 0 HA ASN A 55 -5.418 -13.518 -4.979 1.00 75.15 H new ATOM 0 HB2 ASN A 55 -4.526 -15.681 -3.861 1.00 62.34 H new ATOM 0 HB3 ASN A 55 -5.531 -15.253 -2.491 1.00 62.34 H new ATOM 0 HD21 ASN A 55 -7.175 -16.789 -5.929 1.00 41.42 H new ATOM 0 HD22 ASN A 55 -5.479 -16.302 -5.848 1.00 41.42 H new ATOM 886 N GLU A 56 -5.982 -12.426 -1.919 1.00 25.42 N ATOM 887 CA GLU A 56 -6.832 -11.532 -1.119 1.00 54.43 C ATOM 888 C GLU A 56 -6.784 -10.103 -1.663 1.00 30.32 C ATOM 889 O GLU A 56 -7.803 -9.415 -1.699 1.00 34.21 O ATOM 890 CB GLU A 56 -6.389 -11.496 0.352 1.00 45.20 C ATOM 891 CG GLU A 56 -6.352 -12.839 1.061 1.00 54.42 C ATOM 892 CD GLU A 56 -7.657 -13.587 0.989 1.00 51.14 C ATOM 893 OE1 GLU A 56 -8.582 -13.263 1.755 1.00 5.34 O ATOM 894 OE2 GLU A 56 -7.756 -14.522 0.179 1.00 63.13 O ATOM 0 H GLU A 56 -5.137 -12.734 -1.438 1.00 25.42 H new ATOM 0 HA GLU A 56 -7.846 -11.927 -1.184 1.00 54.43 H new ATOM 0 HB2 GLU A 56 -5.395 -11.052 0.402 1.00 45.20 H new ATOM 0 HB3 GLU A 56 -7.062 -10.835 0.899 1.00 45.20 H new ATOM 0 HG2 GLU A 56 -5.565 -13.452 0.622 1.00 54.42 H new ATOM 0 HG3 GLU A 56 -6.088 -12.683 2.107 1.00 54.42 H new ATOM 901 N TYR A 57 -5.583 -9.670 -2.089 1.00 51.12 N ATOM 902 CA TYR A 57 -5.377 -8.327 -2.641 1.00 5.15 C ATOM 903 C TYR A 57 -6.045 -8.188 -4.020 1.00 10.43 C ATOM 904 O TYR A 57 -6.457 -7.093 -4.391 1.00 73.13 O ATOM 905 CB TYR A 57 -3.869 -7.998 -2.731 1.00 14.01 C ATOM 906 CG TYR A 57 -3.556 -6.609 -3.272 1.00 32.14 C ATOM 907 CD1 TYR A 57 -3.647 -5.481 -2.464 1.00 4.22 C ATOM 908 CD2 TYR A 57 -3.193 -6.430 -4.601 1.00 11.21 C ATOM 909 CE1 TYR A 57 -3.392 -4.219 -2.973 1.00 1.41 C ATOM 910 CE2 TYR A 57 -2.932 -5.176 -5.109 1.00 4.11 C ATOM 911 CZ TYR A 57 -3.035 -4.078 -4.298 1.00 23.14 C ATOM 912 OH TYR A 57 -2.792 -2.827 -4.814 1.00 62.10 O ATOM 0 H TYR A 57 -4.737 -10.239 -2.059 1.00 51.12 H new ATOM 0 HA TYR A 57 -5.845 -7.611 -1.965 1.00 5.15 H new ATOM 0 HB2 TYR A 57 -3.429 -8.095 -1.738 1.00 14.01 H new ATOM 0 HB3 TYR A 57 -3.386 -8.739 -3.368 1.00 14.01 H new ATOM 0 HD1 TYR A 57 -3.920 -5.591 -1.425 1.00 4.22 H new ATOM 0 HD2 TYR A 57 -3.114 -7.291 -5.249 1.00 11.21 H new ATOM 0 HE1 TYR A 57 -3.472 -3.350 -2.337 1.00 1.41 H new ATOM 0 HE2 TYR A 57 -2.647 -5.060 -6.144 1.00 4.11 H new ATOM 0 HH TYR A 57 -2.551 -2.905 -5.761 1.00 62.10 H new ATOM 922 N ALA A 58 -6.170 -9.300 -4.756 1.00 51.31 N ATOM 923 CA ALA A 58 -6.827 -9.303 -6.069 1.00 60.42 C ATOM 924 C ALA A 58 -8.328 -9.015 -5.956 1.00 43.30 C ATOM 925 O ALA A 58 -8.922 -8.455 -6.874 1.00 21.30 O ATOM 926 CB ALA A 58 -6.587 -10.624 -6.774 1.00 15.51 C ATOM 0 H ALA A 58 -5.823 -10.213 -4.462 1.00 51.31 H new ATOM 0 HA ALA A 58 -6.387 -8.501 -6.661 1.00 60.42 H new ATOM 0 HB1 ALA A 58 -7.080 -10.612 -7.746 1.00 15.51 H new ATOM 0 HB2 ALA A 58 -5.516 -10.774 -6.912 1.00 15.51 H new ATOM 0 HB3 ALA A 58 -6.992 -11.437 -6.172 1.00 15.51 H new ATOM 932 N GLU A 59 -8.927 -9.379 -4.818 1.00 31.33 N ATOM 933 CA GLU A 59 -10.330 -9.061 -4.530 1.00 32.20 C ATOM 934 C GLU A 59 -10.524 -7.576 -4.224 1.00 63.31 C ATOM 935 O GLU A 59 -11.577 -7.016 -4.513 1.00 13.43 O ATOM 936 CB GLU A 59 -10.831 -9.903 -3.356 1.00 44.41 C ATOM 937 CG GLU A 59 -11.082 -11.356 -3.714 1.00 60.24 C ATOM 938 CD GLU A 59 -12.391 -11.568 -4.449 1.00 12.32 C ATOM 939 OE1 GLU A 59 -12.485 -11.209 -5.637 1.00 24.44 O ATOM 940 OE2 GLU A 59 -13.338 -12.090 -3.831 1.00 25.31 O ATOM 0 H GLU A 59 -8.458 -9.898 -4.076 1.00 31.33 H new ATOM 0 HA GLU A 59 -10.910 -9.297 -5.422 1.00 32.20 H new ATOM 0 HB2 GLU A 59 -10.100 -9.857 -2.549 1.00 44.41 H new ATOM 0 HB3 GLU A 59 -11.754 -9.467 -2.975 1.00 44.41 H new ATOM 0 HG2 GLU A 59 -10.261 -11.719 -4.333 1.00 60.24 H new ATOM 0 HG3 GLU A 59 -11.082 -11.954 -2.803 1.00 60.24 H new ATOM 947 N LEU A 60 -9.494 -6.947 -3.657 1.00 32.11 N ATOM 948 CA LEU A 60 -9.548 -5.531 -3.284 1.00 1.32 C ATOM 949 C LEU A 60 -9.339 -4.666 -4.518 1.00 4.53 C ATOM 950 O LEU A 60 -10.169 -3.802 -4.809 1.00 40.11 O ATOM 951 CB LEU A 60 -8.481 -5.211 -2.221 1.00 70.34 C ATOM 952 CG LEU A 60 -8.365 -6.209 -1.055 1.00 75.14 C ATOM 953 CD1 LEU A 60 -7.364 -5.705 -0.034 1.00 14.23 C ATOM 954 CD2 LEU A 60 -9.711 -6.464 -0.388 1.00 13.32 C ATOM 0 H LEU A 60 -8.605 -7.399 -3.444 1.00 32.11 H new ATOM 0 HA LEU A 60 -10.529 -5.316 -2.860 1.00 1.32 H new ATOM 0 HB2 LEU A 60 -7.512 -5.148 -2.716 1.00 70.34 H new ATOM 0 HB3 LEU A 60 -8.693 -4.225 -1.808 1.00 70.34 H new ATOM 0 HG LEU A 60 -8.017 -7.156 -1.467 1.00 75.14 H new ATOM 0 HD11 LEU A 60 -7.290 -6.419 0.786 1.00 14.23 H new ATOM 0 HD12 LEU A 60 -6.388 -5.593 -0.506 1.00 14.23 H new ATOM 0 HD13 LEU A 60 -7.693 -4.741 0.353 1.00 14.23 H new ATOM 0 HD21 LEU A 60 -9.583 -7.174 0.429 1.00 13.32 H new ATOM 0 HD22 LEU A 60 -10.106 -5.527 0.004 1.00 13.32 H new ATOM 0 HD23 LEU A 60 -10.408 -6.874 -1.119 1.00 13.32 H new ATOM 966 N ALA A 61 -8.211 -4.935 -5.221 1.00 64.30 N ATOM 967 CA ALA A 61 -7.841 -4.327 -6.513 1.00 1.53 C ATOM 968 C ALA A 61 -7.889 -2.797 -6.489 1.00 4.33 C ATOM 969 O ALA A 61 -8.317 -2.176 -7.462 1.00 74.14 O ATOM 970 CB ALA A 61 -8.721 -4.895 -7.628 1.00 4.43 C ATOM 0 H ALA A 61 -7.515 -5.603 -4.889 1.00 64.30 H new ATOM 0 HA ALA A 61 -6.801 -4.589 -6.710 1.00 1.53 H new ATOM 0 HB1 ALA A 61 -8.442 -4.441 -8.579 1.00 4.43 H new ATOM 0 HB2 ALA A 61 -8.582 -5.975 -7.687 1.00 4.43 H new ATOM 0 HB3 ALA A 61 -9.767 -4.675 -7.414 1.00 4.43 H new ATOM 976 N ILE A 62 -7.369 -2.204 -5.390 1.00 24.51 N ATOM 977 CA ILE A 62 -7.538 -0.772 -5.066 1.00 64.05 C ATOM 978 C ILE A 62 -8.998 -0.504 -4.699 1.00 21.05 C ATOM 979 O ILE A 62 -9.904 -0.596 -5.530 1.00 2.51 O ATOM 980 CB ILE A 62 -7.034 0.230 -6.176 1.00 54.14 C ATOM 981 CG1 ILE A 62 -5.502 0.256 -6.260 1.00 23.20 C ATOM 982 CG2 ILE A 62 -7.532 1.654 -5.938 1.00 23.44 C ATOM 983 CD1 ILE A 62 -4.867 -0.885 -7.017 1.00 22.22 C ATOM 0 H ILE A 62 -6.816 -2.711 -4.699 1.00 24.51 H new ATOM 0 HA ILE A 62 -6.888 -0.574 -4.214 1.00 64.05 H new ATOM 0 HB ILE A 62 -7.446 -0.137 -7.116 1.00 54.14 H new ATOM 0 HG12 ILE A 62 -5.198 1.192 -6.729 1.00 23.20 H new ATOM 0 HG13 ILE A 62 -5.101 0.263 -5.246 1.00 23.20 H new ATOM 0 HG21 ILE A 62 -7.159 2.307 -6.727 1.00 23.44 H new ATOM 0 HG22 ILE A 62 -8.622 1.664 -5.943 1.00 23.44 H new ATOM 0 HG23 ILE A 62 -7.171 2.009 -4.973 1.00 23.44 H new ATOM 0 HD11 ILE A 62 -3.784 -0.766 -7.013 1.00 22.22 H new ATOM 0 HD12 ILE A 62 -5.130 -1.829 -6.540 1.00 22.22 H new ATOM 0 HD13 ILE A 62 -5.228 -0.885 -8.045 1.00 22.22 H new ATOM 995 N PHE A 63 -9.212 -0.179 -3.443 1.00 61.41 N ATOM 996 CA PHE A 63 -10.556 -0.065 -2.908 1.00 53.34 C ATOM 997 C PHE A 63 -11.120 1.344 -3.116 1.00 45.31 C ATOM 998 O PHE A 63 -12.323 1.503 -3.308 1.00 3.31 O ATOM 999 CB PHE A 63 -10.541 -0.443 -1.431 1.00 53.31 C ATOM 1000 CG PHE A 63 -11.707 -1.273 -1.001 1.00 41.01 C ATOM 1001 CD1 PHE A 63 -11.777 -2.606 -1.360 1.00 63.20 C ATOM 1002 CD2 PHE A 63 -12.712 -0.734 -0.217 1.00 64.13 C ATOM 1003 CE1 PHE A 63 -12.830 -3.386 -0.951 1.00 61.44 C ATOM 1004 CE2 PHE A 63 -13.774 -1.513 0.193 1.00 33.43 C ATOM 1005 CZ PHE A 63 -13.829 -2.843 -0.173 1.00 31.11 C ATOM 0 H PHE A 63 -8.471 0.012 -2.769 1.00 61.41 H new ATOM 0 HA PHE A 63 -11.212 -0.750 -3.444 1.00 53.34 H new ATOM 0 HB2 PHE A 63 -9.622 -0.988 -1.216 1.00 53.31 H new ATOM 0 HB3 PHE A 63 -10.518 0.469 -0.834 1.00 53.31 H new ATOM 0 HD1 PHE A 63 -10.996 -3.038 -1.968 1.00 63.20 H new ATOM 0 HD2 PHE A 63 -12.664 0.304 0.076 1.00 64.13 H new ATOM 0 HE1 PHE A 63 -12.875 -4.426 -1.239 1.00 61.44 H new ATOM 0 HE2 PHE A 63 -14.559 -1.084 0.798 1.00 33.43 H new ATOM 0 HZ PHE A 63 -14.656 -3.458 0.151 1.00 31.11 H new ATOM 1015 N ALA A 64 -10.244 2.349 -3.105 1.00 61.14 N ATOM 1016 CA ALA A 64 -10.661 3.739 -3.266 1.00 33.15 C ATOM 1017 C ALA A 64 -9.534 4.598 -3.835 1.00 33.23 C ATOM 1018 O ALA A 64 -8.416 4.598 -3.322 1.00 54.55 O ATOM 1019 CB ALA A 64 -11.129 4.298 -1.932 1.00 20.21 C ATOM 0 H ALA A 64 -9.239 2.224 -2.986 1.00 61.14 H new ATOM 0 HA ALA A 64 -11.487 3.764 -3.976 1.00 33.15 H new ATOM 0 HB1 ALA A 64 -11.438 5.335 -2.061 1.00 20.21 H new ATOM 0 HB2 ALA A 64 -11.971 3.711 -1.567 1.00 20.21 H new ATOM 0 HB3 ALA A 64 -10.313 4.249 -1.211 1.00 20.21 H new ATOM 1025 N ALA A 65 -9.843 5.326 -4.898 1.00 42.32 N ATOM 1026 CA ALA A 65 -8.884 6.199 -5.562 1.00 32.34 C ATOM 1027 C ALA A 65 -9.608 7.303 -6.306 1.00 14.43 C ATOM 1028 O ALA A 65 -10.840 7.266 -6.393 1.00 73.41 O ATOM 1029 CB ALA A 65 -8.029 5.403 -6.530 1.00 24.22 C ATOM 0 H ALA A 65 -10.769 5.328 -5.326 1.00 42.32 H new ATOM 0 HA ALA A 65 -8.240 6.644 -4.804 1.00 32.34 H new ATOM 0 HB1 ALA A 65 -7.317 6.068 -7.019 1.00 24.22 H new ATOM 0 HB2 ALA A 65 -7.488 4.629 -5.986 1.00 24.22 H new ATOM 0 HB3 ALA A 65 -8.667 4.939 -7.282 1.00 24.22 H new ATOM 1035 N ASP A 66 -8.829 8.304 -6.796 1.00 45.51 N ATOM 1036 CA ASP A 66 -9.322 9.462 -7.603 1.00 44.14 C ATOM 1037 C ASP A 66 -10.042 10.526 -6.765 1.00 51.22 C ATOM 1038 O ASP A 66 -10.042 11.700 -7.127 1.00 63.21 O ATOM 1039 CB ASP A 66 -10.218 9.035 -8.785 1.00 11.35 C ATOM 1040 CG ASP A 66 -9.448 8.411 -9.933 1.00 70.02 C ATOM 1041 OD1 ASP A 66 -8.698 7.437 -9.713 1.00 32.20 O ATOM 1042 OD2 ASP A 66 -9.608 8.878 -11.079 1.00 12.53 O ATOM 0 H ASP A 66 -7.821 8.333 -6.640 1.00 45.51 H new ATOM 0 HA ASP A 66 -8.415 9.912 -8.006 1.00 44.14 H new ATOM 0 HB2 ASP A 66 -10.962 8.323 -8.428 1.00 11.35 H new ATOM 0 HB3 ASP A 66 -10.760 9.906 -9.153 1.00 11.35 H new ATOM 1047 N GLU A 67 -10.616 10.110 -5.634 1.00 13.04 N ATOM 1048 CA GLU A 67 -11.375 10.983 -4.733 1.00 13.14 C ATOM 1049 C GLU A 67 -10.444 11.874 -3.903 1.00 43.31 C ATOM 1050 O GLU A 67 -10.883 12.838 -3.279 1.00 21.55 O ATOM 1051 CB GLU A 67 -12.224 10.116 -3.793 1.00 41.23 C ATOM 1052 CG GLU A 67 -13.108 9.085 -4.492 1.00 13.33 C ATOM 1053 CD GLU A 67 -14.261 9.693 -5.257 1.00 53.43 C ATOM 1054 OE1 GLU A 67 -14.086 10.019 -6.445 1.00 65.52 O ATOM 1055 OE2 GLU A 67 -15.348 9.840 -4.672 1.00 51.41 O ATOM 0 H GLU A 67 -10.566 9.143 -5.313 1.00 13.04 H new ATOM 0 HA GLU A 67 -12.013 11.629 -5.335 1.00 13.14 H new ATOM 0 HB2 GLU A 67 -11.559 9.595 -3.103 1.00 41.23 H new ATOM 0 HB3 GLU A 67 -12.858 10.769 -3.193 1.00 41.23 H new ATOM 0 HG2 GLU A 67 -12.496 8.500 -5.179 1.00 13.33 H new ATOM 0 HG3 GLU A 67 -13.502 8.393 -3.748 1.00 13.33 H new ATOM 1062 N VAL A 68 -9.154 11.534 -3.896 1.00 12.04 N ATOM 1063 CA VAL A 68 -8.148 12.289 -3.150 1.00 0.15 C ATOM 1064 C VAL A 68 -7.010 12.785 -4.059 1.00 10.43 C ATOM 1065 O VAL A 68 -5.969 13.231 -3.568 1.00 54.14 O ATOM 1066 CB VAL A 68 -7.556 11.464 -1.975 1.00 12.53 C ATOM 1067 CG1 VAL A 68 -8.535 11.363 -0.823 1.00 32.20 C ATOM 1068 CG2 VAL A 68 -7.162 10.074 -2.426 1.00 33.42 C ATOM 0 H VAL A 68 -8.780 10.733 -4.404 1.00 12.04 H new ATOM 0 HA VAL A 68 -8.665 13.156 -2.739 1.00 0.15 H new ATOM 0 HB VAL A 68 -6.665 11.991 -1.633 1.00 12.53 H new ATOM 0 HG11 VAL A 68 -8.090 10.779 -0.017 1.00 32.20 H new ATOM 0 HG12 VAL A 68 -8.773 12.362 -0.459 1.00 32.20 H new ATOM 0 HG13 VAL A 68 -9.448 10.874 -1.163 1.00 32.20 H new ATOM 0 HG21 VAL A 68 -6.751 9.520 -1.582 1.00 33.42 H new ATOM 0 HG22 VAL A 68 -8.040 9.553 -2.809 1.00 33.42 H new ATOM 0 HG23 VAL A 68 -6.411 10.146 -3.213 1.00 33.42 H new ATOM 1078 N LEU A 69 -7.228 12.752 -5.380 1.00 52.10 N ATOM 1079 CA LEU A 69 -6.215 13.201 -6.344 1.00 43.42 C ATOM 1080 C LEU A 69 -6.158 14.717 -6.433 1.00 61.02 C ATOM 1081 O LEU A 69 -7.178 15.380 -6.260 1.00 52.34 O ATOM 1082 CB LEU A 69 -6.476 12.640 -7.747 1.00 73.22 C ATOM 1083 CG LEU A 69 -6.137 11.164 -7.968 1.00 0.22 C ATOM 1084 CD1 LEU A 69 -6.385 10.797 -9.422 1.00 61.23 C ATOM 1085 CD2 LEU A 69 -4.691 10.866 -7.586 1.00 11.11 C ATOM 0 H LEU A 69 -8.094 12.420 -5.805 1.00 52.10 H new ATOM 0 HA LEU A 69 -5.261 12.823 -5.976 1.00 43.42 H new ATOM 0 HB2 LEU A 69 -7.530 12.786 -7.982 1.00 73.22 H new ATOM 0 HB3 LEU A 69 -5.905 13.232 -8.462 1.00 73.22 H new ATOM 0 HG LEU A 69 -6.780 10.562 -7.327 1.00 0.22 H new ATOM 0 HD11 LEU A 69 -6.143 9.746 -9.578 1.00 61.23 H new ATOM 0 HD12 LEU A 69 -7.433 10.969 -9.667 1.00 61.23 H new ATOM 0 HD13 LEU A 69 -5.757 11.413 -10.065 1.00 61.23 H new ATOM 0 HD21 LEU A 69 -4.481 9.810 -7.754 1.00 11.11 H new ATOM 0 HD22 LEU A 69 -4.021 11.471 -8.197 1.00 11.11 H new ATOM 0 HD23 LEU A 69 -4.536 11.104 -6.534 1.00 11.11 H new ATOM 1097 N GLU A 70 -4.945 15.245 -6.676 1.00 1.24 N ATOM 1098 CA GLU A 70 -4.687 16.692 -6.879 1.00 41.31 C ATOM 1099 C GLU A 70 -5.164 17.546 -5.693 1.00 63.13 C ATOM 1100 O GLU A 70 -5.611 18.683 -5.865 1.00 53.33 O ATOM 1101 CB GLU A 70 -5.329 17.199 -8.187 1.00 72.23 C ATOM 1102 CG GLU A 70 -4.978 16.368 -9.410 1.00 61.32 C ATOM 1103 CD GLU A 70 -5.163 17.127 -10.700 1.00 22.01 C ATOM 1104 OE1 GLU A 70 -6.305 17.222 -11.191 1.00 31.13 O ATOM 1105 OE2 GLU A 70 -4.162 17.646 -11.225 1.00 33.20 O ATOM 0 H GLU A 70 -4.101 14.675 -6.739 1.00 1.24 H new ATOM 0 HA GLU A 70 -3.605 16.801 -6.952 1.00 41.31 H new ATOM 0 HB2 GLU A 70 -6.412 17.211 -8.067 1.00 72.23 H new ATOM 0 HB3 GLU A 70 -5.016 18.229 -8.358 1.00 72.23 H new ATOM 0 HG2 GLU A 70 -3.943 16.036 -9.334 1.00 61.32 H new ATOM 0 HG3 GLU A 70 -5.600 15.473 -9.427 1.00 61.32 H new ATOM 1112 N HIS A 71 -5.049 16.986 -4.487 1.00 12.02 N ATOM 1113 CA HIS A 71 -5.419 17.691 -3.263 1.00 4.41 C ATOM 1114 C HIS A 71 -4.237 18.497 -2.734 1.00 43.23 C ATOM 1115 O HIS A 71 -3.218 18.606 -3.415 1.00 72.33 O ATOM 1116 CB HIS A 71 -5.953 16.704 -2.220 1.00 55.12 C ATOM 1117 CG HIS A 71 -7.451 16.652 -2.186 1.00 41.54 C ATOM 1118 ND1 HIS A 71 -8.206 15.891 -3.051 1.00 34.12 N ATOM 1119 CD2 HIS A 71 -8.337 17.298 -1.393 1.00 54.25 C ATOM 1120 CE1 HIS A 71 -9.488 16.076 -2.789 1.00 75.10 C ATOM 1121 NE2 HIS A 71 -9.594 16.924 -1.790 1.00 53.12 N ATOM 0 H HIS A 71 -4.700 16.040 -4.334 1.00 12.02 H new ATOM 0 HA HIS A 71 -6.220 18.396 -3.486 1.00 4.41 H new ATOM 0 HB2 HIS A 71 -5.564 15.709 -2.435 1.00 55.12 H new ATOM 0 HB3 HIS A 71 -5.581 16.986 -1.235 1.00 55.12 H new ATOM 0 HD2 HIS A 71 -8.097 17.983 -0.593 1.00 54.25 H new ATOM 0 HE1 HIS A 71 -10.311 15.609 -3.309 1.00 75.10 H new ATOM 0 HE2 HIS A 71 -10.468 17.250 -1.378 1.00 53.12 H new ATOM 1130 N HIS A 72 -4.357 19.054 -1.524 1.00 1.24 N ATOM 1131 CA HIS A 72 -3.369 20.014 -1.028 1.00 74.33 C ATOM 1132 C HIS A 72 -2.127 19.342 -0.434 1.00 13.22 C ATOM 1133 O HIS A 72 -2.039 19.077 0.772 1.00 11.45 O ATOM 1134 CB HIS A 72 -3.994 21.007 -0.043 1.00 22.22 C ATOM 1135 CG HIS A 72 -4.761 22.103 -0.724 1.00 60.11 C ATOM 1136 ND1 HIS A 72 -6.098 22.346 -0.510 1.00 52.20 N ATOM 1137 CD2 HIS A 72 -4.355 23.036 -1.615 1.00 0.13 C ATOM 1138 CE1 HIS A 72 -6.478 23.374 -1.241 1.00 1.35 C ATOM 1139 NE2 HIS A 72 -5.441 23.812 -1.922 1.00 65.01 N ATOM 0 H HIS A 72 -5.121 18.858 -0.877 1.00 1.24 H new ATOM 0 HA HIS A 72 -3.027 20.575 -1.898 1.00 74.33 H new ATOM 0 HB2 HIS A 72 -4.660 20.470 0.632 1.00 22.22 H new ATOM 0 HB3 HIS A 72 -3.207 21.448 0.569 1.00 22.22 H new ATOM 0 HD2 HIS A 72 -3.357 23.149 -2.012 1.00 0.13 H new ATOM 0 HE1 HIS A 72 -7.475 23.788 -1.276 1.00 1.35 H new ATOM 0 HE2 HIS A 72 -5.445 24.599 -2.571 1.00 65.01 H new ATOM 1148 N HIS A 73 -1.209 19.035 -1.350 1.00 43.22 N ATOM 1149 CA HIS A 73 0.145 18.581 -1.078 1.00 33.25 C ATOM 1150 C HIS A 73 0.889 18.631 -2.413 1.00 74.31 C ATOM 1151 O HIS A 73 1.885 19.327 -2.550 1.00 12.24 O ATOM 1152 CB HIS A 73 0.194 17.149 -0.489 1.00 34.22 C ATOM 1153 CG HIS A 73 1.549 16.751 0.052 1.00 51.43 C ATOM 1154 ND1 HIS A 73 2.738 16.571 -0.567 1.00 50.41 N flip ATOM 1155 CD2 HIS A 73 1.787 16.499 1.384 1.00 3.43 C flip ATOM 1156 CE1 HIS A 73 3.652 16.227 0.384 1.00 43.14 C flip ATOM 1157 NE2 HIS A 73 3.057 16.186 1.552 1.00 52.10 N flip ATOM 0 H HIS A 73 -1.404 19.101 -2.349 1.00 43.22 H new ATOM 0 HA HIS A 73 0.603 19.223 -0.325 1.00 33.25 H new ATOM 0 HB2 HIS A 73 -0.542 17.071 0.311 1.00 34.22 H new ATOM 0 HB3 HIS A 73 -0.100 16.439 -1.262 1.00 34.22 H new ATOM 0 HD2 HIS A 73 1.048 16.550 2.170 1.00 3.43 H new ATOM 0 HE1 HIS A 73 4.697 16.021 0.205 1.00 43.14 H new ATOM 0 HE2 HIS A 73 3.501 15.952 2.440 1.00 52.10 H new ATOM 1166 N HIS A 74 0.377 17.894 -3.397 1.00 54.41 N ATOM 1167 CA HIS A 74 0.956 17.888 -4.738 1.00 72.32 C ATOM 1168 C HIS A 74 -0.140 17.983 -5.795 1.00 12.23 C ATOM 1169 O HIS A 74 -1.284 17.594 -5.557 1.00 3.51 O ATOM 1170 CB HIS A 74 1.860 16.638 -4.984 1.00 3.13 C ATOM 1171 CG HIS A 74 1.225 15.277 -4.760 1.00 62.23 C ATOM 1172 ND1 HIS A 74 1.643 14.414 -3.772 1.00 72.35 N ATOM 1173 CD2 HIS A 74 0.232 14.622 -5.417 1.00 74.24 C ATOM 1174 CE1 HIS A 74 0.938 13.301 -3.828 1.00 5.42 C ATOM 1175 NE2 HIS A 74 0.076 13.400 -4.818 1.00 25.14 N ATOM 0 H HIS A 74 -0.440 17.292 -3.290 1.00 54.41 H new ATOM 0 HA HIS A 74 1.597 18.766 -4.819 1.00 72.32 H new ATOM 0 HB2 HIS A 74 2.223 16.678 -6.011 1.00 3.13 H new ATOM 0 HB3 HIS A 74 2.732 16.717 -4.335 1.00 3.13 H new ATOM 0 HD1 HIS A 74 2.385 14.606 -3.099 1.00 72.35 H new ATOM 0 HD2 HIS A 74 -0.332 14.997 -6.258 1.00 74.24 H new ATOM 0 HE1 HIS A 74 1.049 12.451 -3.172 1.00 5.42 H new ATOM 1184 N HIS A 75 0.221 18.498 -6.962 1.00 34.30 N ATOM 1185 CA HIS A 75 -0.684 18.511 -8.099 1.00 1.34 C ATOM 1186 C HIS A 75 -0.481 17.212 -8.877 1.00 51.45 C ATOM 1187 O HIS A 75 0.645 16.692 -8.912 1.00 33.24 O ATOM 1188 CB HIS A 75 -0.415 19.740 -8.981 1.00 74.31 C ATOM 1189 CG HIS A 75 -1.612 20.230 -9.741 1.00 51.12 C ATOM 1190 ND1 HIS A 75 -2.619 20.952 -9.152 1.00 4.21 N ATOM 1191 CD2 HIS A 75 -1.953 20.112 -11.045 1.00 32.33 C ATOM 1192 CE1 HIS A 75 -3.524 21.261 -10.055 1.00 14.12 C ATOM 1193 NE2 HIS A 75 -3.145 20.765 -11.217 1.00 74.35 N ATOM 0 H HIS A 75 1.135 18.912 -7.145 1.00 34.30 H new ATOM 0 HA HIS A 75 -1.719 18.577 -7.764 1.00 1.34 H new ATOM 0 HB2 HIS A 75 -0.043 20.549 -8.352 1.00 74.31 H new ATOM 0 HB3 HIS A 75 0.376 19.497 -9.690 1.00 74.31 H new ATOM 0 HD2 HIS A 75 -1.389 19.598 -11.809 1.00 32.33 H new ATOM 0 HE1 HIS A 75 -4.426 21.826 -9.875 1.00 14.12 H new ATOM 0 HE2 HIS A 75 -3.654 20.853 -12.096 1.00 74.35 H new ATOM 1202 N HIS A 76 -1.577 16.702 -9.472 1.00 13.20 N ATOM 1203 CA HIS A 76 -1.623 15.396 -10.169 1.00 14.34 C ATOM 1204 C HIS A 76 -1.339 14.238 -9.217 1.00 40.21 C ATOM 1205 O HIS A 76 -1.895 14.189 -8.114 1.00 52.31 O ATOM 1206 CB HIS A 76 -0.688 15.335 -11.385 1.00 4.31 C ATOM 1207 CG HIS A 76 -1.126 16.193 -12.540 1.00 40.22 C ATOM 1208 ND1 HIS A 76 -2.257 15.936 -13.283 1.00 61.03 N ATOM 1209 CD2 HIS A 76 -0.584 17.310 -13.072 1.00 4.50 C ATOM 1210 CE1 HIS A 76 -2.388 16.854 -14.220 1.00 34.23 C ATOM 1211 NE2 HIS A 76 -1.388 17.701 -14.110 1.00 43.34 N ATOM 0 H HIS A 76 -2.472 17.192 -9.483 1.00 13.20 H new ATOM 0 HA HIS A 76 -2.642 15.294 -10.542 1.00 14.34 H new ATOM 0 HB2 HIS A 76 0.312 15.642 -11.077 1.00 4.31 H new ATOM 0 HB3 HIS A 76 -0.614 14.301 -11.722 1.00 4.31 H new ATOM 0 HD2 HIS A 76 0.317 17.804 -12.740 1.00 4.50 H new ATOM 0 HE1 HIS A 76 -3.180 16.902 -14.952 1.00 34.23 H new ATOM 0 HE2 HIS A 76 -1.236 18.517 -14.702 1.00 43.34 H new TER 1220 HIS A 76