USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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 Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0151) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.39 (180deg=0.971) USER MOD Single : A 2 THR OG1 : rot 134:sc= 1.41 USER MOD Single : A 6 SER OG : rot 167:sc= 0.0812 USER MOD Single : A 7 THR OG1 : rot 180:sc=0.000631 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.119 USER MOD Single : A 28 TYR OH : rot 165:sc= -0.0491 USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 1.61 (180deg=-0.367) USER MOD Single : A 36 SER OG : rot 53:sc= 0.166 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 0.615 K(o=0.62,f=-3.7!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 49 GLN : amide:sc= -2 K(o=-2,f=-6.1!) USER MOD Single : A 54 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -2:sc= 0.786 USER MOD Single : A 66 CYS SG : rot -149:sc= -4.11! USER MOD Single : A 70 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.3) USER MOD Single : A 72 SER OG : rot -109:sc= 0.385 USER MOD Single : A 78 SER OG : rot 30:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.782 7.523 9.293 1.00 4.31 N ATOM 2 CA MET A 1 -5.913 6.898 8.262 1.00 71.23 C ATOM 3 C MET A 1 -4.880 5.947 8.901 1.00 75.54 C ATOM 4 O MET A 1 -4.303 6.261 9.946 1.00 3.24 O ATOM 5 CB MET A 1 -5.185 7.991 7.422 1.00 51.12 C ATOM 6 CG MET A 1 -6.092 8.764 6.457 1.00 41.11 C ATOM 7 SD MET A 1 -7.428 9.654 7.292 1.00 62.44 S ATOM 8 CE MET A 1 -8.431 10.173 5.891 1.00 33.01 C ATOM 0 H1 MET A 1 -7.299 8.322 8.874 1.00 4.31 H new ATOM 0 H2 MET A 1 -7.461 6.820 9.647 1.00 4.31 H new ATOM 0 H3 MET A 1 -6.195 7.865 10.081 1.00 4.31 H new ATOM 0 HA MET A 1 -6.553 6.312 7.602 1.00 71.23 H new ATOM 0 HB2 MET A 1 -4.713 8.700 8.103 1.00 51.12 H new ATOM 0 HB3 MET A 1 -4.386 7.519 6.850 1.00 51.12 H new ATOM 0 HG2 MET A 1 -5.489 9.474 5.892 1.00 41.11 H new ATOM 0 HG3 MET A 1 -6.522 8.068 5.737 1.00 41.11 H new ATOM 0 HE1 MET A 1 -9.265 10.780 6.245 1.00 33.01 H new ATOM 0 HE2 MET A 1 -7.821 10.760 5.204 1.00 33.01 H new ATOM 0 HE3 MET A 1 -8.816 9.294 5.374 1.00 33.01 H new ATOM 18 N THR A 2 -4.675 4.781 8.267 1.00 53.43 N ATOM 19 CA THR A 2 -3.544 3.874 8.574 1.00 2.24 C ATOM 20 C THR A 2 -2.199 4.584 8.287 1.00 10.23 C ATOM 21 O THR A 2 -2.042 5.209 7.244 1.00 51.20 O ATOM 22 CB THR A 2 -3.622 2.567 7.708 1.00 54.12 C ATOM 23 OG1 THR A 2 -4.073 2.898 6.388 1.00 24.53 O ATOM 24 CG2 THR A 2 -4.545 1.490 8.287 1.00 23.51 C ATOM 0 H THR A 2 -5.285 4.436 7.526 1.00 53.43 H new ATOM 0 HA THR A 2 -3.607 3.608 9.629 1.00 2.24 H new ATOM 0 HB THR A 2 -2.616 2.149 7.698 1.00 54.12 H new ATOM 0 HG1 THR A 2 -3.510 2.445 5.727 1.00 24.53 H new ATOM 0 HG21 THR A 2 -4.544 0.619 7.631 1.00 23.51 H new ATOM 0 HG22 THR A 2 -4.190 1.200 9.276 1.00 23.51 H new ATOM 0 HG23 THR A 2 -5.558 1.884 8.367 1.00 23.51 H new ATOM 32 N ARG A 3 -1.240 4.489 9.216 1.00 10.32 N ATOM 33 CA ARG A 3 0.082 5.144 9.091 1.00 44.42 C ATOM 34 C ARG A 3 1.202 4.102 9.284 1.00 73.42 C ATOM 35 O ARG A 3 1.374 3.560 10.380 1.00 55.44 O ATOM 36 CB ARG A 3 0.215 6.302 10.118 1.00 73.05 C ATOM 37 CG ARG A 3 -0.769 7.478 9.888 1.00 63.21 C ATOM 38 CD ARG A 3 -0.563 8.623 10.890 1.00 53.54 C ATOM 39 NE ARG A 3 -1.393 9.799 10.564 1.00 50.32 N ATOM 40 CZ ARG A 3 -0.941 11.019 10.358 1.00 51.34 C ATOM 41 NH1 ARG A 3 0.328 11.281 10.383 1.00 41.21 N ATOM 42 NH2 ARG A 3 -1.771 11.972 10.111 1.00 22.05 N ATOM 0 H ARG A 3 -1.352 3.957 10.079 1.00 10.32 H new ATOM 0 HA ARG A 3 0.175 5.571 8.093 1.00 44.42 H new ATOM 0 HB2 ARG A 3 0.057 5.903 11.120 1.00 73.05 H new ATOM 0 HB3 ARG A 3 1.235 6.686 10.085 1.00 73.05 H new ATOM 0 HG2 ARG A 3 -0.643 7.860 8.875 1.00 63.21 H new ATOM 0 HG3 ARG A 3 -1.793 7.111 9.966 1.00 63.21 H new ATOM 0 HD2 ARG A 3 -0.806 8.275 11.894 1.00 53.54 H new ATOM 0 HD3 ARG A 3 0.488 8.912 10.899 1.00 53.54 H new ATOM 0 HE ARG A 3 -2.400 9.655 10.492 1.00 50.32 H new ATOM 0 HH11 ARG A 3 0.999 10.535 10.565 1.00 41.21 H new ATOM 0 HH12 ARG A 3 0.655 12.233 10.221 1.00 41.21 H new ATOM 0 HH21 ARG A 3 -2.772 11.780 10.076 1.00 22.05 H new ATOM 0 HH22 ARG A 3 -1.427 12.919 9.951 1.00 22.05 H new ATOM 56 N VAL A 4 1.942 3.808 8.204 1.00 3.34 N ATOM 57 CA VAL A 4 3.012 2.787 8.206 1.00 15.13 C ATOM 58 C VAL A 4 4.400 3.433 7.962 1.00 54.41 C ATOM 59 O VAL A 4 4.547 4.344 7.140 1.00 22.53 O ATOM 60 CB VAL A 4 2.714 1.673 7.126 1.00 61.03 C ATOM 61 CG1 VAL A 4 3.902 0.690 6.952 1.00 65.32 C ATOM 62 CG2 VAL A 4 1.410 0.900 7.474 1.00 52.54 C ATOM 0 H VAL A 4 1.819 4.269 7.302 1.00 3.34 H new ATOM 0 HA VAL A 4 3.032 2.318 9.190 1.00 15.13 H new ATOM 0 HB VAL A 4 2.575 2.183 6.173 1.00 61.03 H new ATOM 0 HG11 VAL A 4 3.649 -0.057 6.199 1.00 65.32 H new ATOM 0 HG12 VAL A 4 4.787 1.241 6.633 1.00 65.32 H new ATOM 0 HG13 VAL A 4 4.106 0.194 7.901 1.00 65.32 H new ATOM 0 HG21 VAL A 4 1.225 0.138 6.716 1.00 52.54 H new ATOM 0 HG22 VAL A 4 1.518 0.424 8.448 1.00 52.54 H new ATOM 0 HG23 VAL A 4 0.571 1.595 7.501 1.00 52.54 H new ATOM 72 N ARG A 5 5.410 2.947 8.703 1.00 65.45 N ATOM 73 CA ARG A 5 6.816 3.358 8.537 1.00 11.34 C ATOM 74 C ARG A 5 7.525 2.439 7.508 1.00 13.22 C ATOM 75 O ARG A 5 7.359 1.215 7.537 1.00 22.02 O ATOM 76 CB ARG A 5 7.554 3.281 9.905 1.00 70.20 C ATOM 77 CG ARG A 5 8.983 3.886 9.906 1.00 14.33 C ATOM 78 CD ARG A 5 8.971 5.424 9.856 1.00 52.25 C ATOM 79 NE ARG A 5 8.417 5.997 11.099 1.00 65.31 N ATOM 80 CZ ARG A 5 7.971 7.225 11.256 1.00 0.20 C ATOM 81 NH1 ARG A 5 7.857 8.045 10.261 1.00 62.33 N ATOM 82 NH2 ARG A 5 7.588 7.612 12.421 1.00 32.54 N ATOM 0 H ARG A 5 5.274 2.254 9.439 1.00 65.45 H new ATOM 0 HA ARG A 5 6.841 4.384 8.171 1.00 11.34 H new ATOM 0 HB2 ARG A 5 6.955 3.797 10.655 1.00 70.20 H new ATOM 0 HB3 ARG A 5 7.616 2.237 10.211 1.00 70.20 H new ATOM 0 HG2 ARG A 5 9.512 3.559 10.801 1.00 14.33 H new ATOM 0 HG3 ARG A 5 9.537 3.502 9.050 1.00 14.33 H new ATOM 0 HD2 ARG A 5 9.985 5.793 9.704 1.00 52.25 H new ATOM 0 HD3 ARG A 5 8.379 5.758 9.004 1.00 52.25 H new ATOM 0 HE ARG A 5 8.376 5.383 11.913 1.00 65.31 H new ATOM 0 HH11 ARG A 5 8.116 7.746 9.321 1.00 62.33 H new ATOM 0 HH12 ARG A 5 7.508 8.991 10.417 1.00 62.33 H new ATOM 0 HH21 ARG A 5 7.632 6.969 13.212 1.00 32.54 H new ATOM 0 HH22 ARG A 5 7.241 8.562 12.554 1.00 32.54 H new ATOM 96 N SER A 6 8.307 3.046 6.605 1.00 33.31 N ATOM 97 CA SER A 6 9.159 2.319 5.635 1.00 52.33 C ATOM 98 C SER A 6 10.620 2.796 5.750 1.00 41.01 C ATOM 99 O SER A 6 10.881 3.936 6.142 1.00 40.43 O ATOM 100 CB SER A 6 8.650 2.531 4.195 1.00 0.03 C ATOM 101 OG SER A 6 9.432 1.808 3.250 1.00 74.50 O ATOM 0 H SER A 6 8.371 4.060 6.521 1.00 33.31 H new ATOM 0 HA SER A 6 9.110 1.255 5.867 1.00 52.33 H new ATOM 0 HB2 SER A 6 7.610 2.213 4.126 1.00 0.03 H new ATOM 0 HB3 SER A 6 8.676 3.593 3.952 1.00 0.03 H new ATOM 0 HG SER A 6 8.967 1.788 2.388 1.00 74.50 H new ATOM 107 N THR A 7 11.563 1.911 5.413 1.00 64.31 N ATOM 108 CA THR A 7 13.015 2.217 5.419 1.00 3.35 C ATOM 109 C THR A 7 13.567 2.413 3.983 1.00 54.23 C ATOM 110 O THR A 7 13.043 1.829 3.031 1.00 22.53 O ATOM 111 CB THR A 7 13.835 1.091 6.160 1.00 22.42 C ATOM 112 OG1 THR A 7 13.277 -0.211 5.894 1.00 41.34 O ATOM 113 CG2 THR A 7 13.906 1.342 7.674 1.00 73.23 C ATOM 0 H THR A 7 11.350 0.956 5.126 1.00 64.31 H new ATOM 0 HA THR A 7 13.136 3.154 5.963 1.00 3.35 H new ATOM 0 HB THR A 7 14.852 1.122 5.769 1.00 22.42 H new ATOM 0 HG1 THR A 7 13.802 -0.894 6.362 1.00 41.34 H new ATOM 0 HG21 THR A 7 14.479 0.545 8.148 1.00 73.23 H new ATOM 0 HG22 THR A 7 14.392 2.299 7.862 1.00 73.23 H new ATOM 0 HG23 THR A 7 12.898 1.360 8.088 1.00 73.23 H new ATOM 121 N PRO A 8 14.665 3.234 3.813 1.00 34.14 N ATOM 122 CA PRO A 8 15.332 3.448 2.499 1.00 2.12 C ATOM 123 C PRO A 8 16.312 2.306 2.100 1.00 64.31 C ATOM 124 O PRO A 8 17.382 2.562 1.538 1.00 54.03 O ATOM 125 CB PRO A 8 16.074 4.786 2.747 1.00 24.24 C ATOM 126 CG PRO A 8 16.479 4.719 4.179 1.00 1.41 C ATOM 127 CD PRO A 8 15.327 4.042 4.890 1.00 14.41 C ATOM 0 HA PRO A 8 14.631 3.463 1.664 1.00 2.12 H new ATOM 0 HB2 PRO A 8 16.940 4.889 2.093 1.00 24.24 H new ATOM 0 HB3 PRO A 8 15.427 5.642 2.556 1.00 24.24 H new ATOM 0 HG2 PRO A 8 17.403 4.153 4.300 1.00 1.41 H new ATOM 0 HG3 PRO A 8 16.660 5.715 4.583 1.00 1.41 H new ATOM 0 HD2 PRO A 8 15.677 3.410 5.706 1.00 14.41 H new ATOM 0 HD3 PRO A 8 14.641 4.770 5.323 1.00 14.41 H new ATOM 135 N GLY A 9 15.899 1.050 2.322 1.00 14.42 N ATOM 136 CA GLY A 9 16.787 -0.105 2.127 1.00 31.53 C ATOM 137 C GLY A 9 16.077 -1.433 2.389 1.00 14.41 C ATOM 138 O GLY A 9 16.396 -2.141 3.350 1.00 35.25 O ATOM 0 H GLY A 9 14.959 0.808 2.636 1.00 14.42 H new ATOM 0 HA2 GLY A 9 17.172 -0.096 1.107 1.00 31.53 H new ATOM 0 HA3 GLY A 9 17.646 -0.017 2.793 1.00 31.53 H new ATOM 142 N GLY A 10 15.099 -1.759 1.531 1.00 24.32 N ATOM 143 CA GLY A 10 14.337 -3.013 1.645 1.00 53.33 C ATOM 144 C GLY A 10 13.061 -3.010 0.800 1.00 2.00 C ATOM 145 O GLY A 10 13.085 -2.584 -0.357 1.00 73.03 O ATOM 0 H GLY A 10 14.816 -1.170 0.748 1.00 24.32 H new ATOM 0 HA2 GLY A 10 14.969 -3.846 1.338 1.00 53.33 H new ATOM 0 HA3 GLY A 10 14.075 -3.180 2.690 1.00 53.33 H new ATOM 149 N ASP A 11 11.947 -3.497 1.380 1.00 35.14 N ATOM 150 CA ASP A 11 10.621 -3.526 0.717 1.00 50.01 C ATOM 151 C ASP A 11 9.512 -3.051 1.687 1.00 4.13 C ATOM 152 O ASP A 11 9.651 -3.167 2.909 1.00 11.11 O ATOM 153 CB ASP A 11 10.306 -4.959 0.194 1.00 3.42 C ATOM 154 CG ASP A 11 10.111 -5.999 1.312 1.00 11.12 C ATOM 155 OD1 ASP A 11 11.095 -6.316 2.013 1.00 14.35 O ATOM 156 OD2 ASP A 11 8.980 -6.509 1.490 1.00 22.22 O ATOM 0 H ASP A 11 11.937 -3.883 2.324 1.00 35.14 H new ATOM 0 HA ASP A 11 10.649 -2.843 -0.132 1.00 50.01 H new ATOM 0 HB2 ASP A 11 9.404 -4.923 -0.417 1.00 3.42 H new ATOM 0 HB3 ASP A 11 11.118 -5.285 -0.456 1.00 3.42 H new ATOM 161 N LEU A 12 8.430 -2.494 1.129 1.00 23.51 N ATOM 162 CA LEU A 12 7.215 -2.138 1.893 1.00 35.05 C ATOM 163 C LEU A 12 6.237 -3.336 1.915 1.00 22.11 C ATOM 164 O LEU A 12 6.183 -4.099 0.952 1.00 54.13 O ATOM 165 CB LEU A 12 6.530 -0.912 1.239 1.00 51.40 C ATOM 166 CG LEU A 12 5.256 -0.367 1.962 1.00 14.41 C ATOM 167 CD1 LEU A 12 5.599 0.199 3.359 1.00 15.11 C ATOM 168 CD2 LEU A 12 4.516 0.671 1.092 1.00 73.44 C ATOM 0 H LEU A 12 8.366 -2.275 0.135 1.00 23.51 H new ATOM 0 HA LEU A 12 7.495 -1.890 2.917 1.00 35.05 H new ATOM 0 HB2 LEU A 12 7.260 -0.105 1.176 1.00 51.40 H new ATOM 0 HB3 LEU A 12 6.258 -1.176 0.217 1.00 51.40 H new ATOM 0 HG LEU A 12 4.577 -1.207 2.111 1.00 14.41 H new ATOM 0 HD11 LEU A 12 4.691 0.570 3.834 1.00 15.11 H new ATOM 0 HD12 LEU A 12 6.035 -0.589 3.974 1.00 15.11 H new ATOM 0 HD13 LEU A 12 6.313 1.016 3.255 1.00 15.11 H new ATOM 0 HD21 LEU A 12 3.635 1.030 1.624 1.00 73.44 H new ATOM 0 HD22 LEU A 12 5.180 1.510 0.882 1.00 73.44 H new ATOM 0 HD23 LEU A 12 4.210 0.208 0.154 1.00 73.44 H new ATOM 180 N GLU A 13 5.480 -3.502 3.018 1.00 33.35 N ATOM 181 CA GLU A 13 4.404 -4.514 3.104 1.00 74.14 C ATOM 182 C GLU A 13 3.241 -3.974 3.968 1.00 11.45 C ATOM 183 O GLU A 13 3.409 -3.742 5.171 1.00 34.43 O ATOM 184 CB GLU A 13 4.936 -5.860 3.678 1.00 31.44 C ATOM 185 CG GLU A 13 3.926 -7.024 3.571 1.00 60.33 C ATOM 186 CD GLU A 13 4.439 -8.338 4.181 1.00 54.22 C ATOM 187 OE1 GLU A 13 5.235 -9.045 3.519 1.00 62.51 O ATOM 188 OE2 GLU A 13 4.055 -8.665 5.323 1.00 50.10 O ATOM 0 H GLU A 13 5.594 -2.946 3.866 1.00 33.35 H new ATOM 0 HA GLU A 13 4.037 -4.710 2.096 1.00 74.14 H new ATOM 0 HB2 GLU A 13 5.850 -6.134 3.150 1.00 31.44 H new ATOM 0 HB3 GLU A 13 5.203 -5.718 4.725 1.00 31.44 H new ATOM 0 HG2 GLU A 13 3.000 -6.738 4.070 1.00 60.33 H new ATOM 0 HG3 GLU A 13 3.685 -7.190 2.521 1.00 60.33 H new ATOM 195 N LEU A 14 2.072 -3.758 3.341 1.00 3.52 N ATOM 196 CA LEU A 14 0.872 -3.224 4.013 1.00 11.22 C ATOM 197 C LEU A 14 -0.173 -4.344 4.199 1.00 70.22 C ATOM 198 O LEU A 14 -0.871 -4.695 3.249 1.00 73.42 O ATOM 199 CB LEU A 14 0.263 -2.077 3.149 1.00 0.00 C ATOM 200 CG LEU A 14 1.236 -0.924 2.751 1.00 41.43 C ATOM 201 CD1 LEU A 14 0.534 0.130 1.873 1.00 42.04 C ATOM 202 CD2 LEU A 14 1.876 -0.275 3.990 1.00 14.43 C ATOM 0 H LEU A 14 1.931 -3.949 2.349 1.00 3.52 H new ATOM 0 HA LEU A 14 1.152 -2.836 4.992 1.00 11.22 H new ATOM 0 HB2 LEU A 14 -0.142 -2.514 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.575 -1.645 3.695 1.00 0.00 H new ATOM 0 HG LEU A 14 2.036 -1.367 2.158 1.00 41.43 H new ATOM 0 HD11 LEU A 14 1.241 0.918 1.615 1.00 42.04 H new ATOM 0 HD12 LEU A 14 0.167 -0.342 0.961 1.00 42.04 H new ATOM 0 HD13 LEU A 14 -0.304 0.560 2.421 1.00 42.04 H new ATOM 0 HD21 LEU A 14 2.548 0.524 3.676 1.00 14.43 H new ATOM 0 HD22 LEU A 14 1.095 0.137 4.629 1.00 14.43 H new ATOM 0 HD23 LEU A 14 2.439 -1.026 4.544 1.00 14.43 H new ATOM 214 N VAL A 15 -0.277 -4.889 5.421 1.00 63.24 N ATOM 215 CA VAL A 15 -1.330 -5.865 5.785 1.00 23.32 C ATOM 216 C VAL A 15 -2.503 -5.095 6.425 1.00 15.11 C ATOM 217 O VAL A 15 -2.355 -4.512 7.505 1.00 42.04 O ATOM 218 CB VAL A 15 -0.787 -6.974 6.766 1.00 42.42 C ATOM 219 CG1 VAL A 15 -1.904 -7.974 7.178 1.00 75.33 C ATOM 220 CG2 VAL A 15 0.433 -7.710 6.142 1.00 72.34 C ATOM 0 H VAL A 15 0.361 -4.670 6.186 1.00 63.24 H new ATOM 0 HA VAL A 15 -1.665 -6.382 4.886 1.00 23.32 H new ATOM 0 HB VAL A 15 -0.453 -6.478 7.677 1.00 42.42 H new ATOM 0 HG11 VAL A 15 -1.491 -8.723 7.854 1.00 75.33 H new ATOM 0 HG12 VAL A 15 -2.707 -7.435 7.681 1.00 75.33 H new ATOM 0 HG13 VAL A 15 -2.298 -8.466 6.289 1.00 75.33 H new ATOM 0 HG21 VAL A 15 0.792 -8.471 6.835 1.00 72.34 H new ATOM 0 HG22 VAL A 15 0.133 -8.183 5.207 1.00 72.34 H new ATOM 0 HG23 VAL A 15 1.230 -6.992 5.946 1.00 72.34 H new ATOM 230 N VAL A 16 -3.656 -5.074 5.739 1.00 34.35 N ATOM 231 CA VAL A 16 -4.799 -4.200 6.104 1.00 3.44 C ATOM 232 C VAL A 16 -5.876 -4.978 6.882 1.00 42.31 C ATOM 233 O VAL A 16 -6.081 -6.170 6.646 1.00 5.45 O ATOM 234 CB VAL A 16 -5.467 -3.562 4.824 1.00 12.21 C ATOM 235 CG1 VAL A 16 -6.328 -2.325 5.185 1.00 63.11 C ATOM 236 CG2 VAL A 16 -4.415 -3.215 3.760 1.00 21.30 C ATOM 0 H VAL A 16 -3.829 -5.656 4.919 1.00 34.35 H new ATOM 0 HA VAL A 16 -4.395 -3.409 6.736 1.00 3.44 H new ATOM 0 HB VAL A 16 -6.135 -4.311 4.400 1.00 12.21 H new ATOM 0 HG11 VAL A 16 -6.771 -1.913 4.278 1.00 63.11 H new ATOM 0 HG12 VAL A 16 -7.119 -2.621 5.874 1.00 63.11 H new ATOM 0 HG13 VAL A 16 -5.700 -1.570 5.657 1.00 63.11 H new ATOM 0 HG21 VAL A 16 -4.907 -2.778 2.891 1.00 21.30 H new ATOM 0 HG22 VAL A 16 -3.703 -2.500 4.172 1.00 21.30 H new ATOM 0 HG23 VAL A 16 -3.888 -4.121 3.461 1.00 21.30 H new ATOM 246 N HIS A 17 -6.552 -4.293 7.819 1.00 75.04 N ATOM 247 CA HIS A 17 -7.742 -4.827 8.522 1.00 62.41 C ATOM 248 C HIS A 17 -8.886 -3.782 8.519 1.00 11.14 C ATOM 249 O HIS A 17 -9.564 -3.577 9.534 1.00 61.04 O ATOM 250 CB HIS A 17 -7.354 -5.278 9.958 1.00 2.44 C ATOM 251 CG HIS A 17 -6.443 -6.480 9.968 1.00 73.52 C ATOM 252 ND1 HIS A 17 -5.146 -6.467 10.446 1.00 41.23 N ATOM 253 CD2 HIS A 17 -6.653 -7.737 9.514 1.00 52.41 C ATOM 254 CE1 HIS A 17 -4.604 -7.659 10.270 1.00 70.01 C ATOM 255 NE2 HIS A 17 -5.498 -8.441 9.713 1.00 72.34 N ATOM 0 H HIS A 17 -6.293 -3.352 8.114 1.00 75.04 H new ATOM 0 HA HIS A 17 -8.113 -5.706 7.994 1.00 62.41 H new ATOM 0 HB2 HIS A 17 -6.863 -4.452 10.473 1.00 2.44 H new ATOM 0 HB3 HIS A 17 -8.260 -5.510 10.518 1.00 2.44 H new ATOM 0 HD2 HIS A 17 -7.565 -8.115 9.075 1.00 52.41 H new ATOM 0 HE1 HIS A 17 -3.597 -7.941 10.539 1.00 70.01 H new ATOM 0 HE2 HIS A 17 -5.354 -9.420 9.467 1.00 72.34 H new ATOM 264 N LEU A 18 -9.100 -3.136 7.344 1.00 72.02 N ATOM 265 CA LEU A 18 -10.259 -2.232 7.111 1.00 65.44 C ATOM 266 C LEU A 18 -11.629 -2.941 7.295 1.00 74.33 C ATOM 267 O LEU A 18 -11.724 -4.172 7.280 1.00 1.44 O ATOM 268 CB LEU A 18 -10.170 -1.529 5.708 1.00 72.20 C ATOM 269 CG LEU A 18 -9.823 -2.394 4.430 1.00 0.44 C ATOM 270 CD1 LEU A 18 -10.825 -3.526 4.130 1.00 54.23 C ATOM 271 CD2 LEU A 18 -9.664 -1.481 3.195 1.00 24.11 C ATOM 0 H LEU A 18 -8.481 -3.225 6.538 1.00 72.02 H new ATOM 0 HA LEU A 18 -10.201 -1.463 7.881 1.00 65.44 H new ATOM 0 HB2 LEU A 18 -11.128 -1.042 5.524 1.00 72.20 H new ATOM 0 HB3 LEU A 18 -9.421 -0.741 5.783 1.00 72.20 H new ATOM 0 HG LEU A 18 -8.880 -2.891 4.659 1.00 0.44 H new ATOM 0 HD11 LEU A 18 -10.508 -4.066 3.238 1.00 54.23 H new ATOM 0 HD12 LEU A 18 -10.862 -4.213 4.976 1.00 54.23 H new ATOM 0 HD13 LEU A 18 -11.815 -3.101 3.964 1.00 54.23 H new ATOM 0 HD21 LEU A 18 -9.425 -2.088 2.322 1.00 24.11 H new ATOM 0 HD22 LEU A 18 -10.595 -0.942 3.019 1.00 24.11 H new ATOM 0 HD23 LEU A 18 -8.859 -0.767 3.371 1.00 24.11 H new ATOM 283 N SER A 19 -12.691 -2.131 7.418 1.00 33.10 N ATOM 284 CA SER A 19 -14.080 -2.615 7.626 1.00 32.54 C ATOM 285 C SER A 19 -14.790 -2.976 6.282 1.00 53.15 C ATOM 286 O SER A 19 -16.000 -2.777 6.134 1.00 41.53 O ATOM 287 CB SER A 19 -14.860 -1.518 8.398 1.00 21.24 C ATOM 288 OG SER A 19 -14.813 -0.277 7.709 1.00 10.52 O ATOM 0 H SER A 19 -12.619 -1.114 7.377 1.00 33.10 H new ATOM 0 HA SER A 19 -14.055 -3.538 8.205 1.00 32.54 H new ATOM 0 HB2 SER A 19 -15.897 -1.827 8.527 1.00 21.24 H new ATOM 0 HB3 SER A 19 -14.437 -1.400 9.395 1.00 21.24 H new ATOM 0 HG SER A 19 -15.313 0.397 8.215 1.00 10.52 H new ATOM 294 N GLY A 20 -14.037 -3.575 5.333 1.00 41.23 N ATOM 295 CA GLY A 20 -14.566 -3.955 4.006 1.00 4.34 C ATOM 296 C GLY A 20 -14.304 -5.425 3.670 1.00 35.41 C ATOM 297 O GLY A 20 -13.299 -5.732 3.009 1.00 43.32 O ATOM 0 H GLY A 20 -13.052 -3.807 5.465 1.00 41.23 H new ATOM 0 HA2 GLY A 20 -15.639 -3.765 3.978 1.00 4.34 H new ATOM 0 HA3 GLY A 20 -14.110 -3.324 3.243 1.00 4.34 H new ATOM 301 N PRO A 21 -15.185 -6.376 4.122 1.00 41.04 N ATOM 302 CA PRO A 21 -15.007 -7.830 3.873 1.00 41.55 C ATOM 303 C PRO A 21 -15.233 -8.231 2.388 1.00 24.22 C ATOM 304 O PRO A 21 -15.935 -7.533 1.643 1.00 22.04 O ATOM 305 CB PRO A 21 -16.057 -8.497 4.818 1.00 22.25 C ATOM 306 CG PRO A 21 -16.545 -7.391 5.717 1.00 41.44 C ATOM 307 CD PRO A 21 -16.420 -6.126 4.907 1.00 41.41 C ATOM 0 HA PRO A 21 -13.984 -8.150 4.072 1.00 41.55 H new ATOM 0 HB2 PRO A 21 -16.878 -8.932 4.248 1.00 22.25 H new ATOM 0 HB3 PRO A 21 -15.608 -9.304 5.396 1.00 22.25 H new ATOM 0 HG2 PRO A 21 -17.578 -7.561 6.022 1.00 41.44 H new ATOM 0 HG3 PRO A 21 -15.949 -7.334 6.628 1.00 41.44 H new ATOM 0 HD2 PRO A 21 -17.286 -5.967 4.264 1.00 41.41 H new ATOM 0 HD3 PRO A 21 -16.328 -5.244 5.541 1.00 41.41 H new ATOM 315 N GLY A 22 -14.640 -9.373 1.990 1.00 65.43 N ATOM 316 CA GLY A 22 -14.696 -9.865 0.604 1.00 62.25 C ATOM 317 C GLY A 22 -13.923 -8.984 -0.390 1.00 43.33 C ATOM 318 O GLY A 22 -12.710 -8.796 -0.242 1.00 21.54 O ATOM 0 H GLY A 22 -14.111 -9.977 2.619 1.00 65.43 H new ATOM 0 HA2 GLY A 22 -14.293 -10.877 0.570 1.00 62.25 H new ATOM 0 HA3 GLY A 22 -15.738 -9.925 0.290 1.00 62.25 H new ATOM 322 N GLY A 23 -14.636 -8.439 -1.393 1.00 5.44 N ATOM 323 CA GLY A 23 -14.025 -7.591 -2.427 1.00 1.13 C ATOM 324 C GLY A 23 -15.055 -6.956 -3.382 1.00 51.14 C ATOM 325 O GLY A 23 -16.243 -6.916 -3.054 1.00 72.42 O ATOM 0 H GLY A 23 -15.641 -8.573 -1.507 1.00 5.44 H new ATOM 0 HA2 GLY A 23 -13.450 -6.800 -1.945 1.00 1.13 H new ATOM 0 HA3 GLY A 23 -13.321 -8.188 -3.007 1.00 1.13 H new ATOM 329 N PRO A 24 -14.644 -6.409 -4.574 1.00 62.42 N ATOM 330 CA PRO A 24 -13.224 -6.316 -5.006 1.00 23.31 C ATOM 331 C PRO A 24 -12.490 -5.060 -4.430 1.00 4.24 C ATOM 332 O PRO A 24 -12.683 -3.932 -4.908 1.00 11.11 O ATOM 333 CB PRO A 24 -13.364 -6.271 -6.549 1.00 2.35 C ATOM 334 CG PRO A 24 -14.654 -5.540 -6.800 1.00 22.31 C ATOM 335 CD PRO A 24 -15.564 -5.854 -5.616 1.00 15.43 C ATOM 0 HA PRO A 24 -12.607 -7.139 -4.645 1.00 23.31 H new ATOM 0 HB2 PRO A 24 -12.521 -5.753 -7.007 1.00 2.35 H new ATOM 0 HB3 PRO A 24 -13.390 -7.275 -6.973 1.00 2.35 H new ATOM 0 HG2 PRO A 24 -14.482 -4.467 -6.884 1.00 22.31 H new ATOM 0 HG3 PRO A 24 -15.109 -5.864 -7.736 1.00 22.31 H new ATOM 0 HD2 PRO A 24 -16.074 -4.959 -5.259 1.00 15.43 H new ATOM 0 HD3 PRO A 24 -16.336 -6.574 -5.888 1.00 15.43 H new ATOM 343 N VAL A 25 -11.670 -5.263 -3.378 1.00 54.41 N ATOM 344 CA VAL A 25 -10.909 -4.169 -2.740 1.00 62.31 C ATOM 345 C VAL A 25 -9.640 -3.849 -3.581 1.00 0.14 C ATOM 346 O VAL A 25 -8.815 -4.735 -3.840 1.00 2.20 O ATOM 347 CB VAL A 25 -10.512 -4.520 -1.257 1.00 55.23 C ATOM 348 CG1 VAL A 25 -9.850 -3.307 -0.552 1.00 0.32 C ATOM 349 CG2 VAL A 25 -11.730 -5.051 -0.449 1.00 40.40 C ATOM 0 H VAL A 25 -11.518 -6.177 -2.952 1.00 54.41 H new ATOM 0 HA VAL A 25 -11.551 -3.289 -2.704 1.00 62.31 H new ATOM 0 HB VAL A 25 -9.776 -5.323 -1.296 1.00 55.23 H new ATOM 0 HG11 VAL A 25 -9.587 -3.579 0.470 1.00 0.32 H new ATOM 0 HG12 VAL A 25 -8.949 -3.018 -1.094 1.00 0.32 H new ATOM 0 HG13 VAL A 25 -10.548 -2.470 -0.536 1.00 0.32 H new ATOM 0 HG21 VAL A 25 -11.418 -5.283 0.569 1.00 40.40 H new ATOM 0 HG22 VAL A 25 -12.510 -4.290 -0.425 1.00 40.40 H new ATOM 0 HG23 VAL A 25 -12.117 -5.953 -0.924 1.00 40.40 H new ATOM 359 N ARG A 26 -9.508 -2.581 -4.012 1.00 4.11 N ATOM 360 CA ARG A 26 -8.459 -2.144 -4.966 1.00 65.42 C ATOM 361 C ARG A 26 -7.282 -1.449 -4.235 1.00 73.10 C ATOM 362 O ARG A 26 -7.431 -0.972 -3.117 1.00 13.43 O ATOM 363 CB ARG A 26 -9.106 -1.189 -6.016 1.00 61.40 C ATOM 364 CG ARG A 26 -8.328 -1.040 -7.349 1.00 71.52 C ATOM 365 CD ARG A 26 -9.145 -0.280 -8.417 1.00 0.32 C ATOM 366 NE ARG A 26 -10.462 -0.914 -8.650 1.00 54.21 N ATOM 367 CZ ARG A 26 -11.635 -0.320 -8.592 1.00 73.00 C ATOM 368 NH1 ARG A 26 -11.746 0.947 -8.352 1.00 14.21 N ATOM 369 NH2 ARG A 26 -12.699 -1.019 -8.780 1.00 74.22 N ATOM 0 H ARG A 26 -10.124 -1.826 -3.711 1.00 4.11 H new ATOM 0 HA ARG A 26 -8.046 -3.018 -5.470 1.00 65.42 H new ATOM 0 HB2 ARG A 26 -10.110 -1.549 -6.240 1.00 61.40 H new ATOM 0 HB3 ARG A 26 -9.214 -0.202 -5.566 1.00 61.40 H new ATOM 0 HG2 ARG A 26 -7.393 -0.512 -7.165 1.00 71.52 H new ATOM 0 HG3 ARG A 26 -8.067 -2.028 -7.728 1.00 71.52 H new ATOM 0 HD2 ARG A 26 -9.289 0.753 -8.099 1.00 0.32 H new ATOM 0 HD3 ARG A 26 -8.585 -0.250 -9.351 1.00 0.32 H new ATOM 0 HE ARG A 26 -10.460 -1.908 -8.878 1.00 54.21 H new ATOM 0 HH11 ARG A 26 -10.911 1.513 -8.202 1.00 14.21 H new ATOM 0 HH12 ARG A 26 -12.669 1.380 -8.313 1.00 14.21 H new ATOM 0 HH21 ARG A 26 -12.626 -2.018 -8.971 1.00 74.22 H new ATOM 0 HH22 ARG A 26 -13.616 -0.574 -8.738 1.00 74.22 H new ATOM 383 N TRP A 27 -6.109 -1.413 -4.885 1.00 72.33 N ATOM 384 CA TRP A 27 -4.902 -0.713 -4.383 1.00 72.31 C ATOM 385 C TRP A 27 -4.527 0.469 -5.293 1.00 73.44 C ATOM 386 O TRP A 27 -4.669 0.385 -6.512 1.00 25.44 O ATOM 387 CB TRP A 27 -3.707 -1.697 -4.266 1.00 13.55 C ATOM 388 CG TRP A 27 -3.708 -2.478 -2.983 1.00 24.33 C ATOM 389 CD1 TRP A 27 -4.035 -3.792 -2.796 1.00 43.32 C ATOM 390 CD2 TRP A 27 -3.376 -1.956 -1.694 1.00 24.25 C ATOM 391 NE1 TRP A 27 -3.882 -4.125 -1.478 1.00 71.05 N ATOM 392 CE2 TRP A 27 -3.487 -3.010 -0.781 1.00 23.45 C ATOM 393 CE3 TRP A 27 -2.984 -0.691 -1.230 1.00 73.34 C ATOM 394 CZ2 TRP A 27 -3.209 -2.847 0.568 1.00 14.45 C ATOM 395 CZ3 TRP A 27 -2.716 -0.529 0.112 1.00 25.41 C ATOM 396 CH2 TRP A 27 -2.827 -1.603 0.997 1.00 23.33 C ATOM 0 H TRP A 27 -5.963 -1.872 -5.784 1.00 72.33 H new ATOM 0 HA TRP A 27 -5.133 -0.322 -3.392 1.00 72.31 H new ATOM 0 HB2 TRP A 27 -3.732 -2.391 -5.106 1.00 13.55 H new ATOM 0 HB3 TRP A 27 -2.775 -1.137 -4.343 1.00 13.55 H new ATOM 0 HD1 TRP A 27 -4.365 -4.466 -3.573 1.00 43.32 H new ATOM 0 HE1 TRP A 27 -4.036 -5.051 -1.078 1.00 71.05 H new ATOM 0 HE3 TRP A 27 -2.894 0.141 -1.913 1.00 73.34 H new ATOM 0 HZ2 TRP A 27 -3.291 -3.674 1.258 1.00 14.45 H new ATOM 0 HZ3 TRP A 27 -2.417 0.440 0.483 1.00 25.41 H new ATOM 0 HH2 TRP A 27 -2.607 -1.450 2.043 1.00 23.33 H new ATOM 407 N TYR A 28 -4.064 1.571 -4.672 1.00 12.24 N ATOM 408 CA TYR A 28 -3.601 2.798 -5.375 1.00 50.23 C ATOM 409 C TYR A 28 -2.281 3.317 -4.753 1.00 1.41 C ATOM 410 O TYR A 28 -1.936 2.957 -3.631 1.00 35.12 O ATOM 411 CB TYR A 28 -4.675 3.930 -5.293 1.00 21.24 C ATOM 412 CG TYR A 28 -6.077 3.588 -5.857 1.00 2.14 C ATOM 413 CD1 TYR A 28 -6.985 2.839 -5.112 1.00 1.21 C ATOM 414 CD2 TYR A 28 -6.498 4.039 -7.109 1.00 33.02 C ATOM 415 CE1 TYR A 28 -8.234 2.548 -5.585 1.00 62.22 C ATOM 416 CE2 TYR A 28 -7.767 3.753 -7.580 1.00 73.51 C ATOM 417 CZ TYR A 28 -8.625 3.007 -6.808 1.00 30.15 C ATOM 418 OH TYR A 28 -9.895 2.731 -7.249 1.00 3.13 O ATOM 0 H TYR A 28 -3.998 1.642 -3.657 1.00 12.24 H new ATOM 0 HA TYR A 28 -3.436 2.533 -6.419 1.00 50.23 H new ATOM 0 HB2 TYR A 28 -4.788 4.220 -4.248 1.00 21.24 H new ATOM 0 HB3 TYR A 28 -4.295 4.801 -5.826 1.00 21.24 H new ATOM 0 HD1 TYR A 28 -6.695 2.479 -4.136 1.00 1.21 H new ATOM 0 HD2 TYR A 28 -5.823 4.620 -7.719 1.00 33.02 H new ATOM 0 HE1 TYR A 28 -8.912 1.954 -4.990 1.00 62.22 H new ATOM 0 HE2 TYR A 28 -8.081 4.114 -8.548 1.00 73.51 H new ATOM 0 HH TYR A 28 -10.111 3.311 -8.009 1.00 3.13 H new ATOM 428 N LYS A 29 -1.546 4.141 -5.515 1.00 41.52 N ATOM 429 CA LYS A 29 -0.421 4.976 -5.005 1.00 71.54 C ATOM 430 C LYS A 29 -0.451 6.359 -5.690 1.00 10.24 C ATOM 431 O LYS A 29 -0.547 6.444 -6.918 1.00 0.21 O ATOM 432 CB LYS A 29 0.950 4.295 -5.236 1.00 3.53 C ATOM 433 CG LYS A 29 2.211 5.168 -4.945 1.00 50.04 C ATOM 434 CD LYS A 29 2.279 5.682 -3.483 1.00 53.52 C ATOM 435 CE LYS A 29 3.702 6.087 -3.044 1.00 41.43 C ATOM 436 NZ LYS A 29 4.265 7.221 -3.804 1.00 12.43 N ATOM 0 H LYS A 29 -1.709 4.256 -6.515 1.00 41.52 H new ATOM 0 HA LYS A 29 -0.549 5.096 -3.929 1.00 71.54 H new ATOM 0 HB2 LYS A 29 0.999 3.403 -4.611 1.00 3.53 H new ATOM 0 HB3 LYS A 29 0.996 3.961 -6.273 1.00 3.53 H new ATOM 0 HG2 LYS A 29 3.106 4.584 -5.159 1.00 50.04 H new ATOM 0 HG3 LYS A 29 2.218 6.021 -5.623 1.00 50.04 H new ATOM 0 HD2 LYS A 29 1.615 6.540 -3.376 1.00 53.52 H new ATOM 0 HD3 LYS A 29 1.907 4.905 -2.815 1.00 53.52 H new ATOM 0 HE2 LYS A 29 3.685 6.345 -1.985 1.00 41.43 H new ATOM 0 HE3 LYS A 29 4.363 5.227 -3.152 1.00 41.43 H new ATOM 0 HZ1 LYS A 29 5.292 7.093 -3.908 1.00 12.43 H new ATOM 0 HZ2 LYS A 29 3.824 7.262 -4.745 1.00 12.43 H new ATOM 0 HZ3 LYS A 29 4.076 8.108 -3.295 1.00 12.43 H new ATOM 450 N ASP A 30 -0.365 7.431 -4.870 1.00 10.24 N ATOM 451 CA ASP A 30 -0.388 8.842 -5.333 1.00 44.52 C ATOM 452 C ASP A 30 -1.671 9.186 -6.138 1.00 13.41 C ATOM 453 O ASP A 30 -1.680 10.104 -6.971 1.00 65.33 O ATOM 454 CB ASP A 30 0.904 9.179 -6.132 1.00 13.14 C ATOM 455 CG ASP A 30 2.198 9.053 -5.310 1.00 22.01 C ATOM 456 OD1 ASP A 30 2.177 9.303 -4.075 1.00 11.43 O ATOM 457 OD2 ASP A 30 3.243 8.682 -5.885 1.00 32.32 O ATOM 0 H ASP A 30 -0.277 7.343 -3.858 1.00 10.24 H new ATOM 0 HA ASP A 30 -0.412 9.473 -4.445 1.00 44.52 H new ATOM 0 HB2 ASP A 30 0.968 8.517 -6.995 1.00 13.14 H new ATOM 0 HB3 ASP A 30 0.827 10.196 -6.516 1.00 13.14 H new ATOM 462 N GLY A 31 -2.767 8.462 -5.834 1.00 55.02 N ATOM 463 CA GLY A 31 -4.062 8.668 -6.488 1.00 70.20 C ATOM 464 C GLY A 31 -4.292 7.799 -7.735 1.00 54.33 C ATOM 465 O GLY A 31 -5.361 7.881 -8.346 1.00 63.01 O ATOM 0 H GLY A 31 -2.773 7.723 -5.131 1.00 55.02 H new ATOM 0 HA2 GLY A 31 -4.855 8.465 -5.768 1.00 70.20 H new ATOM 0 HA3 GLY A 31 -4.149 9.717 -6.771 1.00 70.20 H new ATOM 469 N GLU A 32 -3.302 6.961 -8.126 1.00 50.32 N ATOM 470 CA GLU A 32 -3.429 6.071 -9.312 1.00 61.43 C ATOM 471 C GLU A 32 -3.171 4.596 -8.942 1.00 54.33 C ATOM 472 O GLU A 32 -2.156 4.274 -8.337 1.00 71.42 O ATOM 473 CB GLU A 32 -2.478 6.509 -10.455 1.00 24.35 C ATOM 474 CG GLU A 32 -2.607 5.646 -11.732 1.00 10.03 C ATOM 475 CD GLU A 32 -1.818 6.192 -12.927 1.00 32.01 C ATOM 476 OE1 GLU A 32 -2.345 7.072 -13.642 1.00 21.34 O ATOM 477 OE2 GLU A 32 -0.681 5.741 -13.164 1.00 60.41 O ATOM 0 H GLU A 32 -2.408 6.881 -7.641 1.00 50.32 H new ATOM 0 HA GLU A 32 -4.456 6.161 -9.667 1.00 61.43 H new ATOM 0 HB2 GLU A 32 -2.682 7.550 -10.708 1.00 24.35 H new ATOM 0 HB3 GLU A 32 -1.449 6.463 -10.098 1.00 24.35 H new ATOM 0 HG2 GLU A 32 -2.264 4.635 -11.513 1.00 10.03 H new ATOM 0 HG3 GLU A 32 -3.660 5.573 -12.006 1.00 10.03 H new ATOM 484 N ARG A 33 -4.088 3.715 -9.380 1.00 43.23 N ATOM 485 CA ARG A 33 -4.117 2.277 -9.011 1.00 74.13 C ATOM 486 C ARG A 33 -2.810 1.512 -9.354 1.00 74.04 C ATOM 487 O ARG A 33 -2.166 1.785 -10.372 1.00 33.03 O ATOM 488 CB ARG A 33 -5.350 1.572 -9.669 1.00 44.11 C ATOM 489 CG ARG A 33 -5.239 1.284 -11.193 1.00 33.43 C ATOM 490 CD ARG A 33 -5.223 2.554 -12.071 1.00 11.12 C ATOM 491 NE ARG A 33 -5.118 2.241 -13.509 1.00 60.24 N ATOM 492 CZ ARG A 33 -4.807 3.099 -14.458 1.00 13.32 C ATOM 493 NH1 ARG A 33 -4.519 4.330 -14.187 1.00 61.41 N ATOM 494 NH2 ARG A 33 -4.796 2.712 -15.686 1.00 71.44 N ATOM 0 H ARG A 33 -4.844 3.980 -10.011 1.00 43.23 H new ATOM 0 HA ARG A 33 -4.207 2.246 -7.925 1.00 74.13 H new ATOM 0 HB2 ARG A 33 -5.521 0.627 -9.153 1.00 44.11 H new ATOM 0 HB3 ARG A 33 -6.230 2.192 -9.500 1.00 44.11 H new ATOM 0 HG2 ARG A 33 -4.329 0.714 -11.380 1.00 33.43 H new ATOM 0 HG3 ARG A 33 -6.077 0.656 -11.496 1.00 33.43 H new ATOM 0 HD2 ARG A 33 -6.132 3.128 -11.892 1.00 11.12 H new ATOM 0 HD3 ARG A 33 -4.385 3.185 -11.777 1.00 11.12 H new ATOM 0 HE ARG A 33 -5.302 1.278 -13.792 1.00 60.24 H new ATOM 0 HH11 ARG A 33 -4.530 4.655 -13.220 1.00 61.41 H new ATOM 0 HH12 ARG A 33 -4.281 4.976 -14.940 1.00 61.41 H new ATOM 0 HH21 ARG A 33 -5.027 1.746 -15.918 1.00 71.44 H new ATOM 0 HH22 ARG A 33 -4.556 3.371 -16.426 1.00 71.44 H new ATOM 508 N LEU A 34 -2.425 0.564 -8.476 1.00 12.02 N ATOM 509 CA LEU A 34 -1.269 -0.332 -8.713 1.00 32.42 C ATOM 510 C LEU A 34 -1.725 -1.674 -9.319 1.00 21.11 C ATOM 511 O LEU A 34 -2.829 -2.154 -9.033 1.00 33.21 O ATOM 512 CB LEU A 34 -0.462 -0.597 -7.403 1.00 64.13 C ATOM 513 CG LEU A 34 0.107 0.664 -6.671 1.00 3.41 C ATOM 514 CD1 LEU A 34 1.098 0.271 -5.558 1.00 65.10 C ATOM 515 CD2 LEU A 34 0.744 1.658 -7.677 1.00 72.22 C ATOM 0 H LEU A 34 -2.900 0.397 -7.589 1.00 12.02 H new ATOM 0 HA LEU A 34 -0.615 0.177 -9.421 1.00 32.42 H new ATOM 0 HB2 LEU A 34 -1.106 -1.135 -6.707 1.00 64.13 H new ATOM 0 HB3 LEU A 34 0.371 -1.258 -7.642 1.00 64.13 H new ATOM 0 HG LEU A 34 -0.730 1.173 -6.193 1.00 3.41 H new ATOM 0 HD11 LEU A 34 1.473 1.171 -5.071 1.00 65.10 H new ATOM 0 HD12 LEU A 34 0.591 -0.355 -4.824 1.00 65.10 H new ATOM 0 HD13 LEU A 34 1.932 -0.282 -5.991 1.00 65.10 H new ATOM 0 HD21 LEU A 34 1.130 2.523 -7.138 1.00 72.22 H new ATOM 0 HD22 LEU A 34 1.560 1.167 -8.207 1.00 72.22 H new ATOM 0 HD23 LEU A 34 -0.010 1.984 -8.394 1.00 72.22 H new ATOM 527 N ALA A 35 -0.864 -2.256 -10.164 1.00 15.44 N ATOM 528 CA ALA A 35 -1.061 -3.599 -10.747 1.00 62.31 C ATOM 529 C ALA A 35 -0.176 -4.638 -10.019 1.00 12.51 C ATOM 530 O ALA A 35 0.896 -4.299 -9.498 1.00 54.12 O ATOM 531 CB ALA A 35 -0.733 -3.567 -12.251 1.00 55.41 C ATOM 0 H ALA A 35 -0.000 -1.807 -10.468 1.00 15.44 H new ATOM 0 HA ALA A 35 -2.103 -3.892 -10.620 1.00 62.31 H new ATOM 0 HB1 ALA A 35 -0.880 -4.560 -12.677 1.00 55.41 H new ATOM 0 HB2 ALA A 35 -1.391 -2.857 -12.752 1.00 55.41 H new ATOM 0 HB3 ALA A 35 0.304 -3.262 -12.391 1.00 55.41 H new ATOM 537 N SER A 36 -0.638 -5.900 -9.973 1.00 40.42 N ATOM 538 CA SER A 36 0.135 -7.022 -9.391 1.00 74.32 C ATOM 539 C SER A 36 1.248 -7.469 -10.371 1.00 75.34 C ATOM 540 O SER A 36 1.112 -8.467 -11.082 1.00 51.23 O ATOM 541 CB SER A 36 -0.814 -8.197 -9.022 1.00 3.11 C ATOM 542 OG SER A 36 -1.614 -8.603 -10.127 1.00 3.14 O ATOM 0 H SER A 36 -1.551 -6.174 -10.335 1.00 40.42 H new ATOM 0 HA SER A 36 0.617 -6.687 -8.472 1.00 74.32 H new ATOM 0 HB2 SER A 36 -0.224 -9.044 -8.671 1.00 3.11 H new ATOM 0 HB3 SER A 36 -1.460 -7.896 -8.198 1.00 3.11 H new ATOM 0 HG SER A 36 -1.037 -8.790 -10.897 1.00 3.14 H new ATOM 548 N GLN A 37 2.334 -6.680 -10.416 1.00 40.51 N ATOM 549 CA GLN A 37 3.423 -6.840 -11.401 1.00 64.01 C ATOM 550 C GLN A 37 4.357 -8.034 -11.065 1.00 64.44 C ATOM 551 O GLN A 37 4.425 -9.013 -11.818 1.00 33.55 O ATOM 552 CB GLN A 37 4.238 -5.526 -11.485 1.00 42.13 C ATOM 553 CG GLN A 37 3.439 -4.284 -11.915 1.00 43.15 C ATOM 554 CD GLN A 37 4.301 -3.019 -11.989 1.00 43.34 C ATOM 555 OE1 GLN A 37 4.444 -2.286 -11.020 1.00 22.22 O ATOM 556 NE2 GLN A 37 4.907 -2.769 -13.136 1.00 64.32 N ATOM 0 H GLN A 37 2.485 -5.908 -9.767 1.00 40.51 H new ATOM 0 HA GLN A 37 2.968 -7.059 -12.367 1.00 64.01 H new ATOM 0 HB2 GLN A 37 4.684 -5.331 -10.510 1.00 42.13 H new ATOM 0 HB3 GLN A 37 5.059 -5.671 -12.187 1.00 42.13 H new ATOM 0 HG2 GLN A 37 2.987 -4.468 -12.890 1.00 43.15 H new ATOM 0 HG3 GLN A 37 2.623 -4.121 -11.211 1.00 43.15 H new ATOM 0 HE21 GLN A 37 4.773 -3.394 -13.931 1.00 64.32 H new ATOM 0 HE22 GLN A 37 5.509 -1.951 -13.227 1.00 64.32 H new ATOM 565 N GLY A 38 5.069 -7.941 -9.926 1.00 51.14 N ATOM 566 CA GLY A 38 6.072 -8.952 -9.542 1.00 1.44 C ATOM 567 C GLY A 38 6.958 -8.480 -8.385 1.00 65.11 C ATOM 568 O GLY A 38 7.182 -9.219 -7.420 1.00 1.04 O ATOM 0 H GLY A 38 4.968 -7.178 -9.257 1.00 51.14 H new ATOM 0 HA2 GLY A 38 5.565 -9.874 -9.256 1.00 1.44 H new ATOM 0 HA3 GLY A 38 6.697 -9.186 -10.404 1.00 1.44 H new ATOM 572 N ARG A 39 7.510 -7.253 -8.513 1.00 22.21 N ATOM 573 CA ARG A 39 8.103 -6.523 -7.367 1.00 63.13 C ATOM 574 C ARG A 39 6.969 -5.846 -6.568 1.00 32.20 C ATOM 575 O ARG A 39 6.936 -5.921 -5.338 1.00 0.32 O ATOM 576 CB ARG A 39 9.157 -5.470 -7.820 1.00 24.33 C ATOM 577 CG ARG A 39 10.415 -6.070 -8.489 1.00 30.04 C ATOM 578 CD ARG A 39 11.494 -5.008 -8.793 1.00 54.13 C ATOM 579 NE ARG A 39 12.703 -5.604 -9.396 1.00 30.00 N ATOM 580 CZ ARG A 39 13.754 -4.942 -9.832 1.00 24.55 C ATOM 581 NH1 ARG A 39 13.849 -3.652 -9.714 1.00 51.43 N ATOM 582 NH2 ARG A 39 14.727 -5.594 -10.372 1.00 43.34 N ATOM 0 H ARG A 39 7.558 -6.747 -9.397 1.00 22.21 H new ATOM 0 HA ARG A 39 8.630 -7.240 -6.738 1.00 63.13 H new ATOM 0 HB2 ARG A 39 8.685 -4.778 -8.518 1.00 24.33 H new ATOM 0 HB3 ARG A 39 9.465 -4.887 -6.952 1.00 24.33 H new ATOM 0 HG2 ARG A 39 10.838 -6.835 -7.838 1.00 30.04 H new ATOM 0 HG3 ARG A 39 10.127 -6.565 -9.417 1.00 30.04 H new ATOM 0 HD2 ARG A 39 11.084 -4.258 -9.469 1.00 54.13 H new ATOM 0 HD3 ARG A 39 11.765 -4.493 -7.872 1.00 54.13 H new ATOM 0 HE ARG A 39 12.726 -6.620 -9.482 1.00 30.00 H new ATOM 0 HH11 ARG A 39 13.096 -3.123 -9.273 1.00 51.43 H new ATOM 0 HH12 ARG A 39 14.676 -3.168 -10.062 1.00 51.43 H new ATOM 0 HH21 ARG A 39 14.676 -6.609 -10.457 1.00 43.34 H new ATOM 0 HH22 ARG A 39 15.548 -5.094 -10.714 1.00 43.34 H new ATOM 596 N VAL A 40 6.048 -5.181 -7.296 1.00 71.11 N ATOM 597 CA VAL A 40 4.778 -4.685 -6.732 1.00 30.51 C ATOM 598 C VAL A 40 3.751 -5.849 -6.704 1.00 75.42 C ATOM 599 O VAL A 40 3.094 -6.150 -7.705 1.00 43.22 O ATOM 600 CB VAL A 40 4.214 -3.447 -7.530 1.00 40.25 C ATOM 601 CG1 VAL A 40 2.884 -2.933 -6.917 1.00 2.01 C ATOM 602 CG2 VAL A 40 5.277 -2.320 -7.595 1.00 13.01 C ATOM 0 H VAL A 40 6.164 -4.974 -8.288 1.00 71.11 H new ATOM 0 HA VAL A 40 4.963 -4.334 -5.717 1.00 30.51 H new ATOM 0 HB VAL A 40 3.993 -3.770 -8.547 1.00 40.25 H new ATOM 0 HG11 VAL A 40 2.524 -2.080 -7.492 1.00 2.01 H new ATOM 0 HG12 VAL A 40 2.139 -3.729 -6.944 1.00 2.01 H new ATOM 0 HG13 VAL A 40 3.053 -2.629 -5.884 1.00 2.01 H new ATOM 0 HG21 VAL A 40 4.874 -1.472 -8.149 1.00 13.01 H new ATOM 0 HG22 VAL A 40 5.535 -2.004 -6.584 1.00 13.01 H new ATOM 0 HG23 VAL A 40 6.170 -2.691 -8.098 1.00 13.01 H new ATOM 612 N GLN A 41 3.698 -6.540 -5.559 1.00 54.54 N ATOM 613 CA GLN A 41 2.839 -7.725 -5.341 1.00 73.32 C ATOM 614 C GLN A 41 1.531 -7.329 -4.620 1.00 41.44 C ATOM 615 O GLN A 41 1.567 -6.617 -3.618 1.00 41.32 O ATOM 616 CB GLN A 41 3.618 -8.764 -4.491 1.00 1.43 C ATOM 617 CG GLN A 41 4.962 -9.202 -5.111 1.00 11.34 C ATOM 618 CD GLN A 41 5.838 -10.054 -4.187 1.00 51.44 C ATOM 619 OE1 GLN A 41 5.347 -10.782 -3.334 1.00 71.42 O ATOM 620 NE2 GLN A 41 7.142 -9.975 -4.363 1.00 42.45 N ATOM 0 H GLN A 41 4.256 -6.293 -4.742 1.00 54.54 H new ATOM 0 HA GLN A 41 2.576 -8.157 -6.307 1.00 73.32 H new ATOM 0 HB2 GLN A 41 3.805 -8.343 -3.503 1.00 1.43 H new ATOM 0 HB3 GLN A 41 2.991 -9.644 -4.348 1.00 1.43 H new ATOM 0 HG2 GLN A 41 4.761 -9.765 -6.022 1.00 11.34 H new ATOM 0 HG3 GLN A 41 5.521 -8.313 -5.403 1.00 11.34 H new ATOM 0 HE21 GLN A 41 7.523 -9.360 -5.082 1.00 42.45 H new ATOM 0 HE22 GLN A 41 7.770 -10.529 -3.781 1.00 42.45 H new ATOM 629 N LEU A 42 0.382 -7.799 -5.136 1.00 52.10 N ATOM 630 CA LEU A 42 -0.941 -7.559 -4.515 1.00 42.10 C ATOM 631 C LEU A 42 -1.577 -8.888 -4.056 1.00 11.12 C ATOM 632 O LEU A 42 -1.507 -9.892 -4.767 1.00 64.43 O ATOM 633 CB LEU A 42 -1.894 -6.839 -5.515 1.00 41.31 C ATOM 634 CG LEU A 42 -1.414 -5.453 -6.054 1.00 65.42 C ATOM 635 CD1 LEU A 42 -2.465 -4.828 -6.996 1.00 74.35 C ATOM 636 CD2 LEU A 42 -1.066 -4.492 -4.902 1.00 74.44 C ATOM 0 H LEU A 42 0.339 -8.354 -5.991 1.00 52.10 H new ATOM 0 HA LEU A 42 -0.792 -6.920 -3.645 1.00 42.10 H new ATOM 0 HB2 LEU A 42 -2.058 -7.499 -6.367 1.00 41.31 H new ATOM 0 HB3 LEU A 42 -2.859 -6.701 -5.028 1.00 41.31 H new ATOM 0 HG LEU A 42 -0.504 -5.622 -6.630 1.00 65.42 H new ATOM 0 HD11 LEU A 42 -2.104 -3.864 -7.356 1.00 74.35 H new ATOM 0 HD12 LEU A 42 -2.634 -5.492 -7.844 1.00 74.35 H new ATOM 0 HD13 LEU A 42 -3.400 -4.686 -6.454 1.00 74.35 H new ATOM 0 HD21 LEU A 42 -0.736 -3.537 -5.312 1.00 74.44 H new ATOM 0 HD22 LEU A 42 -1.948 -4.335 -4.281 1.00 74.44 H new ATOM 0 HD23 LEU A 42 -0.268 -4.923 -4.297 1.00 74.44 H new ATOM 648 N GLU A 43 -2.183 -8.878 -2.862 1.00 30.22 N ATOM 649 CA GLU A 43 -3.029 -9.982 -2.361 1.00 24.24 C ATOM 650 C GLU A 43 -4.421 -9.418 -2.030 1.00 53.51 C ATOM 651 O GLU A 43 -4.554 -8.567 -1.141 1.00 71.05 O ATOM 652 CB GLU A 43 -2.399 -10.652 -1.105 1.00 61.41 C ATOM 653 CG GLU A 43 -3.226 -11.825 -0.517 1.00 3.21 C ATOM 654 CD GLU A 43 -2.532 -12.603 0.622 1.00 64.44 C ATOM 655 OE1 GLU A 43 -1.628 -12.058 1.292 1.00 1.31 O ATOM 656 OE2 GLU A 43 -2.904 -13.775 0.868 1.00 41.41 O ATOM 0 H GLU A 43 -2.103 -8.100 -2.207 1.00 30.22 H new ATOM 0 HA GLU A 43 -3.110 -10.751 -3.130 1.00 24.24 H new ATOM 0 HB2 GLU A 43 -1.406 -11.019 -1.364 1.00 61.41 H new ATOM 0 HB3 GLU A 43 -2.267 -9.894 -0.333 1.00 61.41 H new ATOM 0 HG2 GLU A 43 -4.172 -11.433 -0.145 1.00 3.21 H new ATOM 0 HG3 GLU A 43 -3.464 -12.522 -1.321 1.00 3.21 H new ATOM 663 N GLN A 44 -5.446 -9.857 -2.777 1.00 63.21 N ATOM 664 CA GLN A 44 -6.845 -9.449 -2.536 1.00 54.30 C ATOM 665 C GLN A 44 -7.629 -10.586 -1.834 1.00 33.40 C ATOM 666 O GLN A 44 -7.979 -11.606 -2.440 1.00 72.24 O ATOM 667 CB GLN A 44 -7.517 -8.965 -3.859 1.00 60.41 C ATOM 668 CG GLN A 44 -7.453 -9.950 -5.045 1.00 52.21 C ATOM 669 CD GLN A 44 -8.007 -9.363 -6.346 1.00 41.22 C ATOM 670 OE1 GLN A 44 -7.918 -8.166 -6.589 1.00 71.33 O ATOM 671 NE2 GLN A 44 -8.570 -10.197 -7.197 1.00 33.25 N ATOM 0 H GLN A 44 -5.333 -10.500 -3.560 1.00 63.21 H new ATOM 0 HA GLN A 44 -6.858 -8.597 -1.857 1.00 54.30 H new ATOM 0 HB2 GLN A 44 -8.564 -8.743 -3.652 1.00 60.41 H new ATOM 0 HB3 GLN A 44 -7.046 -8.030 -4.162 1.00 60.41 H new ATOM 0 HG2 GLN A 44 -6.418 -10.253 -5.202 1.00 52.21 H new ATOM 0 HG3 GLN A 44 -8.013 -10.850 -4.792 1.00 52.21 H new ATOM 0 HE21 GLN A 44 -8.632 -11.190 -6.972 1.00 33.25 H new ATOM 0 HE22 GLN A 44 -8.943 -9.850 -8.080 1.00 33.25 H new ATOM 680 N ALA A 45 -7.851 -10.399 -0.522 1.00 71.00 N ATOM 681 CA ALA A 45 -8.594 -11.338 0.343 1.00 0.44 C ATOM 682 C ALA A 45 -9.726 -10.600 1.101 1.00 11.23 C ATOM 683 O ALA A 45 -9.895 -9.382 0.963 1.00 32.44 O ATOM 684 CB ALA A 45 -7.617 -12.018 1.328 1.00 13.32 C ATOM 0 H ALA A 45 -7.514 -9.577 -0.021 1.00 71.00 H new ATOM 0 HA ALA A 45 -9.057 -12.107 -0.276 1.00 0.44 H new ATOM 0 HB1 ALA A 45 -8.166 -12.711 1.966 1.00 13.32 H new ATOM 0 HB2 ALA A 45 -6.858 -12.564 0.768 1.00 13.32 H new ATOM 0 HB3 ALA A 45 -7.136 -11.259 1.946 1.00 13.32 H new ATOM 690 N GLY A 46 -10.500 -11.362 1.898 1.00 50.35 N ATOM 691 CA GLY A 46 -11.604 -10.807 2.693 1.00 60.53 C ATOM 692 C GLY A 46 -11.134 -9.850 3.794 1.00 4.14 C ATOM 693 O GLY A 46 -10.725 -10.306 4.864 1.00 74.51 O ATOM 0 H GLY A 46 -10.377 -12.369 2.006 1.00 50.35 H new ATOM 0 HA2 GLY A 46 -12.291 -10.279 2.031 1.00 60.53 H new ATOM 0 HA3 GLY A 46 -12.164 -11.625 3.146 1.00 60.53 H new ATOM 697 N ALA A 47 -11.140 -8.529 3.483 1.00 73.41 N ATOM 698 CA ALA A 47 -10.693 -7.418 4.386 1.00 60.22 C ATOM 699 C ALA A 47 -9.141 -7.305 4.517 1.00 40.21 C ATOM 700 O ALA A 47 -8.604 -6.192 4.654 1.00 5.45 O ATOM 701 CB ALA A 47 -11.365 -7.478 5.777 1.00 40.51 C ATOM 0 H ALA A 47 -11.462 -8.190 2.577 1.00 73.41 H new ATOM 0 HA ALA A 47 -11.030 -6.506 3.894 1.00 60.22 H new ATOM 0 HB1 ALA A 47 -11.006 -6.652 6.390 1.00 40.51 H new ATOM 0 HB2 ALA A 47 -12.446 -7.402 5.662 1.00 40.51 H new ATOM 0 HB3 ALA A 47 -11.117 -8.423 6.260 1.00 40.51 H new ATOM 707 N ARG A 48 -8.426 -8.453 4.488 1.00 71.11 N ATOM 708 CA ARG A 48 -6.951 -8.485 4.551 1.00 55.00 C ATOM 709 C ARG A 48 -6.336 -8.315 3.145 1.00 63.34 C ATOM 710 O ARG A 48 -6.203 -9.276 2.377 1.00 54.11 O ATOM 711 CB ARG A 48 -6.441 -9.792 5.211 1.00 23.10 C ATOM 712 CG ARG A 48 -4.904 -9.831 5.424 1.00 24.25 C ATOM 713 CD ARG A 48 -4.411 -11.158 6.027 1.00 74.41 C ATOM 714 NE ARG A 48 -4.710 -12.302 5.144 1.00 74.34 N ATOM 715 CZ ARG A 48 -3.931 -12.756 4.177 1.00 62.31 C ATOM 716 NH1 ARG A 48 -2.756 -12.249 3.953 1.00 0.30 N ATOM 717 NH2 ARG A 48 -4.343 -13.731 3.440 1.00 41.30 N ATOM 0 H ARG A 48 -8.854 -9.376 4.421 1.00 71.11 H new ATOM 0 HA ARG A 48 -6.631 -7.648 5.172 1.00 55.00 H new ATOM 0 HB2 ARG A 48 -6.935 -9.917 6.175 1.00 23.10 H new ATOM 0 HB3 ARG A 48 -6.734 -10.639 4.590 1.00 23.10 H new ATOM 0 HG2 ARG A 48 -4.407 -9.666 4.468 1.00 24.25 H new ATOM 0 HG3 ARG A 48 -4.613 -9.011 6.080 1.00 24.25 H new ATOM 0 HD2 ARG A 48 -3.336 -11.102 6.200 1.00 74.41 H new ATOM 0 HD3 ARG A 48 -4.882 -11.314 6.997 1.00 74.41 H new ATOM 0 HE ARG A 48 -5.596 -12.785 5.293 1.00 74.34 H new ATOM 0 HH11 ARG A 48 -2.413 -11.481 4.530 1.00 0.30 H new ATOM 0 HH12 ARG A 48 -2.176 -12.619 3.200 1.00 0.30 H new ATOM 0 HH21 ARG A 48 -5.261 -14.143 3.606 1.00 41.30 H new ATOM 0 HH22 ARG A 48 -3.751 -14.090 2.691 1.00 41.30 H new ATOM 731 N GLN A 49 -6.010 -7.068 2.809 1.00 60.23 N ATOM 732 CA GLN A 49 -5.262 -6.730 1.589 1.00 14.52 C ATOM 733 C GLN A 49 -3.761 -6.624 1.902 1.00 34.22 C ATOM 734 O GLN A 49 -3.387 -6.165 2.983 1.00 52.21 O ATOM 735 CB GLN A 49 -5.782 -5.394 1.022 1.00 31.01 C ATOM 736 CG GLN A 49 -7.260 -5.397 0.628 1.00 70.51 C ATOM 737 CD GLN A 49 -7.584 -6.393 -0.473 1.00 72.45 C ATOM 738 OE1 GLN A 49 -7.953 -7.525 -0.215 1.00 41.55 O ATOM 739 NE2 GLN A 49 -7.416 -5.982 -1.717 1.00 32.33 N ATOM 0 H GLN A 49 -6.256 -6.256 3.375 1.00 60.23 H new ATOM 0 HA GLN A 49 -5.407 -7.516 0.848 1.00 14.52 H new ATOM 0 HB2 GLN A 49 -5.620 -4.613 1.764 1.00 31.01 H new ATOM 0 HB3 GLN A 49 -5.188 -5.131 0.147 1.00 31.01 H new ATOM 0 HG2 GLN A 49 -7.863 -5.627 1.506 1.00 70.51 H new ATOM 0 HG3 GLN A 49 -7.544 -4.397 0.300 1.00 70.51 H new ATOM 0 HE21 GLN A 49 -7.106 -5.028 -1.901 1.00 32.33 H new ATOM 0 HE22 GLN A 49 -7.596 -6.619 -2.493 1.00 32.33 H new ATOM 748 N VAL A 50 -2.896 -7.075 0.972 1.00 25.10 N ATOM 749 CA VAL A 50 -1.430 -6.941 1.132 1.00 51.44 C ATOM 750 C VAL A 50 -0.780 -6.355 -0.150 1.00 64.13 C ATOM 751 O VAL A 50 -0.717 -7.013 -1.186 1.00 2.12 O ATOM 752 CB VAL A 50 -0.742 -8.311 1.519 1.00 61.34 C ATOM 753 CG1 VAL A 50 0.779 -8.126 1.755 1.00 54.44 C ATOM 754 CG2 VAL A 50 -1.415 -8.960 2.760 1.00 5.02 C ATOM 0 H VAL A 50 -3.182 -7.533 0.107 1.00 25.10 H new ATOM 0 HA VAL A 50 -1.267 -6.247 1.957 1.00 51.44 H new ATOM 0 HB VAL A 50 -0.877 -8.989 0.676 1.00 61.34 H new ATOM 0 HG11 VAL A 50 1.225 -9.085 2.020 1.00 54.44 H new ATOM 0 HG12 VAL A 50 1.245 -7.747 0.845 1.00 54.44 H new ATOM 0 HG13 VAL A 50 0.938 -7.416 2.566 1.00 54.44 H new ATOM 0 HG21 VAL A 50 -0.915 -9.899 2.995 1.00 5.02 H new ATOM 0 HG22 VAL A 50 -1.337 -8.284 3.611 1.00 5.02 H new ATOM 0 HG23 VAL A 50 -2.466 -9.152 2.545 1.00 5.02 H new ATOM 764 N LEU A 51 -0.319 -5.093 -0.053 1.00 20.53 N ATOM 765 CA LEU A 51 0.535 -4.444 -1.079 1.00 23.02 C ATOM 766 C LEU A 51 2.004 -4.575 -0.641 1.00 25.32 C ATOM 767 O LEU A 51 2.346 -4.271 0.494 1.00 74.50 O ATOM 768 CB LEU A 51 0.092 -2.948 -1.287 1.00 41.34 C ATOM 769 CG LEU A 51 1.001 -1.948 -2.114 1.00 60.24 C ATOM 770 CD1 LEU A 51 2.140 -1.356 -1.254 1.00 73.42 C ATOM 771 CD2 LEU A 51 1.554 -2.587 -3.407 1.00 4.42 C ATOM 0 H LEU A 51 -0.527 -4.488 0.742 1.00 20.53 H new ATOM 0 HA LEU A 51 0.423 -4.935 -2.046 1.00 23.02 H new ATOM 0 HB2 LEU A 51 -0.886 -2.966 -1.768 1.00 41.34 H new ATOM 0 HB3 LEU A 51 -0.047 -2.513 -0.297 1.00 41.34 H new ATOM 0 HG LEU A 51 0.352 -1.125 -2.414 1.00 60.24 H new ATOM 0 HD11 LEU A 51 2.738 -0.676 -1.861 1.00 73.42 H new ATOM 0 HD12 LEU A 51 1.714 -0.811 -0.411 1.00 73.42 H new ATOM 0 HD13 LEU A 51 2.772 -2.162 -0.882 1.00 73.42 H new ATOM 0 HD21 LEU A 51 2.170 -1.861 -3.937 1.00 4.42 H new ATOM 0 HD22 LEU A 51 2.158 -3.458 -3.153 1.00 4.42 H new ATOM 0 HD23 LEU A 51 0.725 -2.894 -4.045 1.00 4.42 H new ATOM 783 N ARG A 52 2.865 -5.029 -1.563 1.00 14.13 N ATOM 784 CA ARG A 52 4.304 -5.225 -1.300 1.00 61.44 C ATOM 785 C ARG A 52 5.126 -4.512 -2.396 1.00 42.42 C ATOM 786 O ARG A 52 5.122 -4.958 -3.532 1.00 4.43 O ATOM 787 CB ARG A 52 4.655 -6.749 -1.273 1.00 54.14 C ATOM 788 CG ARG A 52 3.608 -7.642 -0.564 1.00 25.35 C ATOM 789 CD ARG A 52 4.064 -9.104 -0.418 1.00 2.43 C ATOM 790 NE ARG A 52 5.185 -9.218 0.534 1.00 21.52 N ATOM 791 CZ ARG A 52 6.279 -9.927 0.368 1.00 43.22 C ATOM 792 NH1 ARG A 52 6.486 -10.623 -0.705 1.00 32.35 N ATOM 793 NH2 ARG A 52 7.167 -9.934 1.306 1.00 21.35 N ATOM 0 H ARG A 52 2.586 -5.272 -2.514 1.00 14.13 H new ATOM 0 HA ARG A 52 4.548 -4.800 -0.326 1.00 61.44 H new ATOM 0 HB2 ARG A 52 4.775 -7.098 -2.298 1.00 54.14 H new ATOM 0 HB3 ARG A 52 5.617 -6.877 -0.777 1.00 54.14 H new ATOM 0 HG2 ARG A 52 3.399 -7.232 0.424 1.00 25.35 H new ATOM 0 HG3 ARG A 52 2.674 -7.613 -1.125 1.00 25.35 H new ATOM 0 HD2 ARG A 52 3.229 -9.716 -0.077 1.00 2.43 H new ATOM 0 HD3 ARG A 52 4.367 -9.492 -1.390 1.00 2.43 H new ATOM 0 HE ARG A 52 5.103 -8.696 1.406 1.00 21.52 H new ATOM 0 HH11 ARG A 52 5.790 -10.631 -1.450 1.00 32.35 H new ATOM 0 HH12 ARG A 52 7.345 -11.163 -0.805 1.00 32.35 H new ATOM 0 HH21 ARG A 52 7.013 -9.395 2.158 1.00 21.35 H new ATOM 0 HH22 ARG A 52 8.022 -10.479 1.195 1.00 21.35 H new ATOM 807 N VAL A 53 5.804 -3.395 -2.070 1.00 3.31 N ATOM 808 CA VAL A 53 6.704 -2.706 -3.035 1.00 74.32 C ATOM 809 C VAL A 53 8.170 -3.123 -2.776 1.00 61.22 C ATOM 810 O VAL A 53 8.837 -2.586 -1.881 1.00 35.52 O ATOM 811 CB VAL A 53 6.556 -1.135 -2.974 1.00 10.10 C ATOM 812 CG1 VAL A 53 7.521 -0.420 -3.965 1.00 32.10 C ATOM 813 CG2 VAL A 53 5.091 -0.703 -3.231 1.00 2.50 C ATOM 0 H VAL A 53 5.751 -2.948 -1.155 1.00 3.31 H new ATOM 0 HA VAL A 53 6.410 -3.014 -4.039 1.00 74.32 H new ATOM 0 HB VAL A 53 6.835 -0.827 -1.966 1.00 10.10 H new ATOM 0 HG11 VAL A 53 7.386 0.659 -3.890 1.00 32.10 H new ATOM 0 HG12 VAL A 53 8.551 -0.675 -3.717 1.00 32.10 H new ATOM 0 HG13 VAL A 53 7.302 -0.743 -4.983 1.00 32.10 H new ATOM 0 HG21 VAL A 53 5.018 0.384 -3.183 1.00 2.50 H new ATOM 0 HG22 VAL A 53 4.779 -1.044 -4.218 1.00 2.50 H new ATOM 0 HG23 VAL A 53 4.443 -1.144 -2.473 1.00 2.50 H new ATOM 823 N GLN A 54 8.653 -4.118 -3.550 1.00 23.22 N ATOM 824 CA GLN A 54 10.047 -4.596 -3.475 1.00 62.00 C ATOM 825 C GLN A 54 11.011 -3.544 -4.086 1.00 3.44 C ATOM 826 O GLN A 54 11.176 -3.467 -5.311 1.00 40.24 O ATOM 827 CB GLN A 54 10.179 -5.968 -4.190 1.00 51.33 C ATOM 828 CG GLN A 54 11.582 -6.602 -4.137 1.00 12.23 C ATOM 829 CD GLN A 54 11.673 -7.925 -4.901 1.00 54.10 C ATOM 830 OE1 GLN A 54 12.000 -7.948 -6.080 1.00 1.40 O ATOM 831 NE2 GLN A 54 11.369 -9.029 -4.246 1.00 42.24 N ATOM 0 H GLN A 54 8.088 -4.610 -4.242 1.00 23.22 H new ATOM 0 HA GLN A 54 10.323 -4.732 -2.429 1.00 62.00 H new ATOM 0 HB2 GLN A 54 9.467 -6.662 -3.744 1.00 51.33 H new ATOM 0 HB3 GLN A 54 9.893 -5.845 -5.234 1.00 51.33 H new ATOM 0 HG2 GLN A 54 12.307 -5.900 -4.550 1.00 12.23 H new ATOM 0 HG3 GLN A 54 11.859 -6.771 -3.096 1.00 12.23 H new ATOM 0 HE21 GLN A 54 11.100 -8.981 -3.263 1.00 42.24 H new ATOM 0 HE22 GLN A 54 11.403 -9.930 -4.722 1.00 42.24 H new ATOM 840 N GLY A 55 11.606 -2.716 -3.210 1.00 22.51 N ATOM 841 CA GLY A 55 12.485 -1.607 -3.619 1.00 3.34 C ATOM 842 C GLY A 55 12.056 -0.276 -2.998 1.00 40.24 C ATOM 843 O GLY A 55 11.974 0.746 -3.690 1.00 74.23 O ATOM 0 H GLY A 55 11.491 -2.797 -2.200 1.00 22.51 H new ATOM 0 HA2 GLY A 55 13.511 -1.830 -3.325 1.00 3.34 H new ATOM 0 HA3 GLY A 55 12.477 -1.520 -4.705 1.00 3.34 H new ATOM 847 N ALA A 56 11.778 -0.304 -1.682 1.00 23.14 N ATOM 848 CA ALA A 56 11.368 0.882 -0.905 1.00 14.03 C ATOM 849 C ALA A 56 12.601 1.742 -0.548 1.00 21.25 C ATOM 850 O ALA A 56 13.473 1.289 0.206 1.00 52.20 O ATOM 851 CB ALA A 56 10.620 0.436 0.366 1.00 13.13 C ATOM 0 H ALA A 56 11.832 -1.156 -1.123 1.00 23.14 H new ATOM 0 HA ALA A 56 10.696 1.493 -1.508 1.00 14.03 H new ATOM 0 HB1 ALA A 56 10.319 1.314 0.938 1.00 13.13 H new ATOM 0 HB2 ALA A 56 9.735 -0.136 0.086 1.00 13.13 H new ATOM 0 HB3 ALA A 56 11.276 -0.186 0.975 1.00 13.13 H new ATOM 857 N ARG A 57 12.677 2.972 -1.110 1.00 73.52 N ATOM 858 CA ARG A 57 13.850 3.862 -0.923 1.00 21.41 C ATOM 859 C ARG A 57 13.546 5.350 -1.248 1.00 42.21 C ATOM 860 O ARG A 57 13.997 6.248 -0.529 1.00 51.02 O ATOM 861 CB ARG A 57 15.054 3.351 -1.765 1.00 54.30 C ATOM 862 CG ARG A 57 16.385 4.111 -1.527 1.00 64.32 C ATOM 863 CD ARG A 57 17.600 3.396 -2.147 1.00 4.15 C ATOM 864 NE ARG A 57 18.865 4.117 -1.884 1.00 51.21 N ATOM 865 CZ ARG A 57 19.749 3.811 -0.954 1.00 32.34 C ATOM 866 NH1 ARG A 57 19.536 2.853 -0.110 1.00 34.10 N ATOM 867 NH2 ARG A 57 20.844 4.482 -0.870 1.00 13.35 N ATOM 0 H ARG A 57 11.943 3.370 -1.695 1.00 73.52 H new ATOM 0 HA ARG A 57 14.106 3.826 0.136 1.00 21.41 H new ATOM 0 HB2 ARG A 57 15.211 2.295 -1.545 1.00 54.30 H new ATOM 0 HB3 ARG A 57 14.796 3.421 -2.822 1.00 54.30 H new ATOM 0 HG2 ARG A 57 16.306 5.114 -1.947 1.00 64.32 H new ATOM 0 HG3 ARG A 57 16.545 4.227 -0.455 1.00 64.32 H new ATOM 0 HD2 ARG A 57 17.669 2.385 -1.745 1.00 4.15 H new ATOM 0 HD3 ARG A 57 17.454 3.302 -3.223 1.00 4.15 H new ATOM 0 HE ARG A 57 19.072 4.923 -2.475 1.00 51.21 H new ATOM 0 HH11 ARG A 57 18.670 2.316 -0.156 1.00 34.10 H new ATOM 0 HH12 ARG A 57 20.234 2.635 0.601 1.00 34.10 H new ATOM 0 HH21 ARG A 57 21.025 5.246 -1.521 1.00 13.35 H new ATOM 0 HH22 ARG A 57 21.531 4.249 -0.153 1.00 13.35 H new ATOM 881 N SER A 58 12.798 5.612 -2.335 1.00 4.13 N ATOM 882 CA SER A 58 12.496 7.003 -2.793 1.00 4.13 C ATOM 883 C SER A 58 10.976 7.212 -3.036 1.00 64.32 C ATOM 884 O SER A 58 10.273 7.778 -2.184 1.00 21.12 O ATOM 885 CB SER A 58 13.309 7.338 -4.078 1.00 44.11 C ATOM 886 OG SER A 58 14.709 7.194 -3.870 1.00 11.02 O ATOM 0 H SER A 58 12.386 4.886 -2.921 1.00 4.13 H new ATOM 0 HA SER A 58 12.795 7.686 -1.998 1.00 4.13 H new ATOM 0 HB2 SER A 58 12.993 6.682 -4.889 1.00 44.11 H new ATOM 0 HB3 SER A 58 13.091 8.359 -4.390 1.00 44.11 H new ATOM 0 HG SER A 58 15.187 7.411 -4.698 1.00 11.02 H new ATOM 892 N GLY A 59 10.463 6.706 -4.186 1.00 44.11 N ATOM 893 CA GLY A 59 9.063 6.940 -4.606 1.00 23.24 C ATOM 894 C GLY A 59 8.020 6.118 -3.832 1.00 3.43 C ATOM 895 O GLY A 59 6.819 6.269 -4.065 1.00 2.23 O ATOM 0 H GLY A 59 11.000 6.134 -4.837 1.00 44.11 H new ATOM 0 HA2 GLY A 59 8.833 7.999 -4.487 1.00 23.24 H new ATOM 0 HA3 GLY A 59 8.972 6.711 -5.668 1.00 23.24 H new ATOM 899 N ASP A 60 8.485 5.240 -2.924 1.00 61.54 N ATOM 900 CA ASP A 60 7.622 4.404 -2.058 1.00 10.22 C ATOM 901 C ASP A 60 6.830 5.245 -1.018 1.00 21.21 C ATOM 902 O ASP A 60 5.754 4.842 -0.570 1.00 52.52 O ATOM 903 CB ASP A 60 8.502 3.350 -1.346 1.00 33.52 C ATOM 904 CG ASP A 60 7.694 2.394 -0.455 1.00 60.03 C ATOM 905 OD1 ASP A 60 6.994 1.531 -1.008 1.00 60.52 O ATOM 906 OD2 ASP A 60 7.755 2.508 0.790 1.00 14.02 O ATOM 0 H ASP A 60 9.481 5.087 -2.767 1.00 61.54 H new ATOM 0 HA ASP A 60 6.880 3.914 -2.688 1.00 10.22 H new ATOM 0 HB2 ASP A 60 9.042 2.770 -2.095 1.00 33.52 H new ATOM 0 HB3 ASP A 60 9.249 3.860 -0.738 1.00 33.52 H new ATOM 911 N ALA A 61 7.367 6.416 -0.647 1.00 51.43 N ATOM 912 CA ALA A 61 6.715 7.319 0.316 1.00 3.42 C ATOM 913 C ALA A 61 5.522 8.025 -0.347 1.00 43.53 C ATOM 914 O ALA A 61 5.697 8.753 -1.340 1.00 63.02 O ATOM 915 CB ALA A 61 7.723 8.341 0.856 1.00 63.33 C ATOM 0 H ALA A 61 8.258 6.763 -1.002 1.00 51.43 H new ATOM 0 HA ALA A 61 6.344 6.732 1.156 1.00 3.42 H new ATOM 0 HB1 ALA A 61 7.226 9.002 1.567 1.00 63.33 H new ATOM 0 HB2 ALA A 61 8.539 7.818 1.355 1.00 63.33 H new ATOM 0 HB3 ALA A 61 8.121 8.930 0.030 1.00 63.33 H new ATOM 921 N GLY A 62 4.315 7.779 0.176 1.00 21.25 N ATOM 922 CA GLY A 62 3.104 8.380 -0.380 1.00 42.44 C ATOM 923 C GLY A 62 1.806 7.746 0.116 1.00 44.30 C ATOM 924 O GLY A 62 1.815 6.912 1.033 1.00 23.35 O ATOM 0 H GLY A 62 4.154 7.171 0.979 1.00 21.25 H new ATOM 0 HA2 GLY A 62 3.093 9.442 -0.135 1.00 42.44 H new ATOM 0 HA3 GLY A 62 3.140 8.304 -1.467 1.00 42.44 H new ATOM 928 N GLU A 63 0.683 8.152 -0.506 1.00 60.01 N ATOM 929 CA GLU A 63 -0.665 7.671 -0.145 1.00 74.13 C ATOM 930 C GLU A 63 -1.018 6.378 -0.902 1.00 42.33 C ATOM 931 O GLU A 63 -1.099 6.373 -2.134 1.00 54.01 O ATOM 932 CB GLU A 63 -1.752 8.740 -0.445 1.00 70.40 C ATOM 933 CG GLU A 63 -1.660 10.049 0.377 1.00 65.11 C ATOM 934 CD GLU A 63 -0.397 10.887 0.097 1.00 0.04 C ATOM 935 OE1 GLU A 63 -0.186 11.288 -1.067 1.00 64.40 O ATOM 936 OE2 GLU A 63 0.394 11.149 1.031 1.00 23.55 O ATOM 0 H GLU A 63 0.684 8.823 -1.274 1.00 60.01 H new ATOM 0 HA GLU A 63 -0.647 7.471 0.926 1.00 74.13 H new ATOM 0 HB2 GLU A 63 -1.701 8.995 -1.504 1.00 70.40 H new ATOM 0 HB3 GLU A 63 -2.731 8.293 -0.271 1.00 70.40 H new ATOM 0 HG2 GLU A 63 -2.539 10.658 0.168 1.00 65.11 H new ATOM 0 HG3 GLU A 63 -1.689 9.801 1.438 1.00 65.11 H new ATOM 943 N TYR A 64 -1.223 5.289 -0.152 1.00 30.30 N ATOM 944 CA TYR A 64 -1.710 4.012 -0.695 1.00 23.33 C ATOM 945 C TYR A 64 -3.187 3.803 -0.312 1.00 41.04 C ATOM 946 O TYR A 64 -3.501 3.512 0.841 1.00 5.44 O ATOM 947 CB TYR A 64 -0.845 2.843 -0.180 1.00 45.31 C ATOM 948 CG TYR A 64 0.596 2.848 -0.703 1.00 71.41 C ATOM 949 CD1 TYR A 64 1.580 3.659 -0.130 1.00 65.24 C ATOM 950 CD2 TYR A 64 0.970 2.023 -1.764 1.00 12.24 C ATOM 951 CE1 TYR A 64 2.876 3.640 -0.604 1.00 4.34 C ATOM 952 CE2 TYR A 64 2.264 2.004 -2.236 1.00 50.14 C ATOM 953 CZ TYR A 64 3.215 2.803 -1.653 1.00 62.03 C ATOM 954 OH TYR A 64 4.501 2.783 -2.139 1.00 62.15 O ATOM 0 H TYR A 64 -1.055 5.267 0.854 1.00 30.30 H new ATOM 0 HA TYR A 64 -1.633 4.041 -1.782 1.00 23.33 H new ATOM 0 HB2 TYR A 64 -0.824 2.874 0.909 1.00 45.31 H new ATOM 0 HB3 TYR A 64 -1.319 1.903 -0.463 1.00 45.31 H new ATOM 0 HD1 TYR A 64 1.323 4.308 0.694 1.00 65.24 H new ATOM 0 HD2 TYR A 64 0.230 1.386 -2.225 1.00 12.24 H new ATOM 0 HE1 TYR A 64 3.625 4.277 -0.157 1.00 4.34 H new ATOM 0 HE2 TYR A 64 2.529 1.362 -3.063 1.00 50.14 H new ATOM 0 HH TYR A 64 5.043 3.441 -1.657 1.00 62.15 H new ATOM 964 N LEU A 65 -4.092 3.922 -1.288 1.00 32.44 N ATOM 965 CA LEU A 65 -5.539 3.815 -1.042 1.00 11.24 C ATOM 966 C LEU A 65 -6.002 2.358 -1.253 1.00 73.35 C ATOM 967 O LEU A 65 -5.948 1.826 -2.357 1.00 44.04 O ATOM 968 CB LEU A 65 -6.319 4.796 -1.965 1.00 72.04 C ATOM 969 CG LEU A 65 -7.885 4.731 -1.897 1.00 74.02 C ATOM 970 CD1 LEU A 65 -8.406 4.991 -0.468 1.00 23.23 C ATOM 971 CD2 LEU A 65 -8.529 5.703 -2.920 1.00 21.22 C ATOM 0 H LEU A 65 -3.849 4.094 -2.264 1.00 32.44 H new ATOM 0 HA LEU A 65 -5.749 4.093 -0.009 1.00 11.24 H new ATOM 0 HB2 LEU A 65 -6.009 5.812 -1.721 1.00 72.04 H new ATOM 0 HB3 LEU A 65 -6.015 4.609 -2.995 1.00 72.04 H new ATOM 0 HG LEU A 65 -8.182 3.718 -2.167 1.00 74.02 H new ATOM 0 HD11 LEU A 65 -9.495 4.938 -0.462 1.00 23.23 H new ATOM 0 HD12 LEU A 65 -8.002 4.238 0.209 1.00 23.23 H new ATOM 0 HD13 LEU A 65 -8.090 5.981 -0.140 1.00 23.23 H new ATOM 0 HD21 LEU A 65 -9.615 5.637 -2.851 1.00 21.22 H new ATOM 0 HD22 LEU A 65 -8.213 6.723 -2.702 1.00 21.22 H new ATOM 0 HD23 LEU A 65 -8.213 5.433 -3.927 1.00 21.22 H new ATOM 983 N CYS A 66 -6.367 1.704 -0.148 1.00 53.32 N ATOM 984 CA CYS A 66 -7.017 0.388 -0.154 1.00 50.45 C ATOM 985 C CYS A 66 -8.556 0.585 -0.229 1.00 35.04 C ATOM 986 O CYS A 66 -9.241 0.691 0.789 1.00 52.11 O ATOM 987 CB CYS A 66 -6.593 -0.398 1.106 1.00 45.12 C ATOM 988 SG CYS A 66 -7.132 -2.114 1.129 1.00 1.42 S ATOM 0 H CYS A 66 -6.218 2.077 0.790 1.00 53.32 H new ATOM 0 HA CYS A 66 -6.709 -0.192 -1.024 1.00 50.45 H new ATOM 0 HB2 CYS A 66 -5.506 -0.370 1.188 1.00 45.12 H new ATOM 0 HB3 CYS A 66 -6.992 0.107 1.986 1.00 45.12 H new ATOM 0 HG CYS A 66 -7.335 -2.489 2.357 1.00 1.42 H new ATOM 994 N ASP A 67 -9.070 0.677 -1.461 1.00 31.01 N ATOM 995 CA ASP A 67 -10.481 1.011 -1.751 1.00 4.24 C ATOM 996 C ASP A 67 -11.420 -0.209 -1.602 1.00 44.34 C ATOM 997 O ASP A 67 -11.563 -1.018 -2.524 1.00 13.10 O ATOM 998 CB ASP A 67 -10.554 1.616 -3.173 1.00 31.54 C ATOM 999 CG ASP A 67 -11.967 1.893 -3.714 1.00 62.41 C ATOM 1000 OD1 ASP A 67 -12.833 2.353 -2.948 1.00 34.24 O ATOM 1001 OD2 ASP A 67 -12.193 1.698 -4.929 1.00 62.31 O ATOM 0 H ASP A 67 -8.514 0.520 -2.302 1.00 31.01 H new ATOM 0 HA ASP A 67 -10.831 1.739 -1.019 1.00 4.24 H new ATOM 0 HB2 ASP A 67 -9.994 2.551 -3.178 1.00 31.54 H new ATOM 0 HB3 ASP A 67 -10.049 0.939 -3.861 1.00 31.54 H new ATOM 1006 N ALA A 68 -12.042 -0.339 -0.421 1.00 2.25 N ATOM 1007 CA ALA A 68 -13.061 -1.374 -0.162 1.00 75.12 C ATOM 1008 C ALA A 68 -14.475 -0.870 -0.547 1.00 60.31 C ATOM 1009 O ALA A 68 -14.816 0.283 -0.233 1.00 22.23 O ATOM 1010 CB ALA A 68 -13.026 -1.799 1.308 1.00 62.12 C ATOM 0 H ALA A 68 -11.856 0.265 0.379 1.00 2.25 H new ATOM 0 HA ALA A 68 -12.831 -2.240 -0.782 1.00 75.12 H new ATOM 0 HB1 ALA A 68 -13.783 -2.563 1.484 1.00 62.12 H new ATOM 0 HB2 ALA A 68 -12.042 -2.202 1.547 1.00 62.12 H new ATOM 0 HB3 ALA A 68 -13.228 -0.935 1.941 1.00 62.12 H new ATOM 1016 N PRO A 69 -15.329 -1.730 -1.220 1.00 61.41 N ATOM 1017 CA PRO A 69 -16.742 -1.377 -1.574 1.00 43.12 C ATOM 1018 C PRO A 69 -17.612 -0.966 -0.354 1.00 63.32 C ATOM 1019 O PRO A 69 -18.628 -0.279 -0.502 1.00 1.51 O ATOM 1020 CB PRO A 69 -17.284 -2.679 -2.226 1.00 4.13 C ATOM 1021 CG PRO A 69 -16.063 -3.377 -2.736 1.00 64.00 C ATOM 1022 CD PRO A 69 -14.976 -3.088 -1.724 1.00 43.54 C ATOM 0 HA PRO A 69 -16.779 -0.503 -2.224 1.00 43.12 H new ATOM 0 HB2 PRO A 69 -17.819 -3.293 -1.502 1.00 4.13 H new ATOM 0 HB3 PRO A 69 -17.982 -2.458 -3.034 1.00 4.13 H new ATOM 0 HG2 PRO A 69 -16.235 -4.449 -2.831 1.00 64.00 H new ATOM 0 HG3 PRO A 69 -15.786 -3.010 -3.724 1.00 64.00 H new ATOM 0 HD2 PRO A 69 -14.967 -3.825 -0.921 1.00 43.54 H new ATOM 0 HD3 PRO A 69 -13.987 -3.103 -2.181 1.00 43.54 H new ATOM 1030 N GLN A 70 -17.213 -1.421 0.848 1.00 34.41 N ATOM 1031 CA GLN A 70 -17.844 -1.022 2.126 1.00 24.35 C ATOM 1032 C GLN A 70 -17.230 0.298 2.664 1.00 20.52 C ATOM 1033 O GLN A 70 -17.947 1.281 2.870 1.00 62.13 O ATOM 1034 CB GLN A 70 -17.708 -2.154 3.189 1.00 23.40 C ATOM 1035 CG GLN A 70 -18.568 -3.423 2.937 1.00 41.20 C ATOM 1036 CD GLN A 70 -18.181 -4.234 1.695 1.00 15.42 C ATOM 1037 OE1 GLN A 70 -17.019 -4.285 1.294 1.00 1.32 O ATOM 1038 NE2 GLN A 70 -19.155 -4.880 1.082 1.00 41.24 N ATOM 0 H GLN A 70 -16.441 -2.078 0.964 1.00 34.41 H new ATOM 0 HA GLN A 70 -18.903 -0.853 1.934 1.00 24.35 H new ATOM 0 HB2 GLN A 70 -16.661 -2.452 3.243 1.00 23.40 H new ATOM 0 HB3 GLN A 70 -17.974 -1.745 4.164 1.00 23.40 H new ATOM 0 HG2 GLN A 70 -18.498 -4.070 3.811 1.00 41.20 H new ATOM 0 HG3 GLN A 70 -19.612 -3.123 2.846 1.00 41.20 H new ATOM 0 HE21 GLN A 70 -20.109 -4.820 1.437 1.00 41.24 H new ATOM 0 HE22 GLN A 70 -18.953 -5.440 0.253 1.00 41.24 H new ATOM 1047 N ASP A 71 -15.887 0.312 2.876 1.00 14.33 N ATOM 1048 CA ASP A 71 -15.185 1.484 3.454 1.00 54.51 C ATOM 1049 C ASP A 71 -13.668 1.505 3.080 1.00 74.52 C ATOM 1050 O ASP A 71 -12.909 0.610 3.474 1.00 4.10 O ATOM 1051 CB ASP A 71 -15.384 1.503 4.994 1.00 63.52 C ATOM 1052 CG ASP A 71 -14.856 2.785 5.648 1.00 15.02 C ATOM 1053 OD1 ASP A 71 -15.332 3.879 5.279 1.00 73.11 O ATOM 1054 OD2 ASP A 71 -13.990 2.713 6.539 1.00 73.43 O ATOM 0 H ASP A 71 -15.273 -0.472 2.656 1.00 14.33 H new ATOM 0 HA ASP A 71 -15.621 2.386 3.026 1.00 54.51 H new ATOM 0 HB2 ASP A 71 -16.445 1.397 5.219 1.00 63.52 H new ATOM 0 HB3 ASP A 71 -14.877 0.643 5.431 1.00 63.52 H new ATOM 1059 N SER A 72 -13.252 2.553 2.338 1.00 64.53 N ATOM 1060 CA SER A 72 -11.862 2.720 1.831 1.00 22.11 C ATOM 1061 C SER A 72 -10.883 3.175 2.944 1.00 12.11 C ATOM 1062 O SER A 72 -11.228 4.031 3.761 1.00 43.03 O ATOM 1063 CB SER A 72 -11.851 3.764 0.688 1.00 52.52 C ATOM 1064 OG SER A 72 -12.862 3.498 -0.272 1.00 21.34 O ATOM 0 H SER A 72 -13.872 3.317 2.069 1.00 64.53 H new ATOM 0 HA SER A 72 -11.527 1.748 1.468 1.00 22.11 H new ATOM 0 HB2 SER A 72 -11.996 4.761 1.104 1.00 52.52 H new ATOM 0 HB3 SER A 72 -10.876 3.761 0.201 1.00 52.52 H new ATOM 0 HG SER A 72 -12.450 3.176 -1.101 1.00 21.34 H new ATOM 1070 N ARG A 73 -9.654 2.623 2.943 1.00 23.11 N ATOM 1071 CA ARG A 73 -8.604 2.953 3.936 1.00 75.32 C ATOM 1072 C ARG A 73 -7.395 3.631 3.247 1.00 1.15 C ATOM 1073 O ARG A 73 -6.852 3.089 2.294 1.00 13.14 O ATOM 1074 CB ARG A 73 -8.137 1.658 4.670 1.00 74.00 C ATOM 1075 CG ARG A 73 -7.417 1.892 6.027 1.00 32.02 C ATOM 1076 CD ARG A 73 -8.393 2.075 7.225 1.00 64.40 C ATOM 1077 NE ARG A 73 -9.342 3.205 7.043 1.00 10.31 N ATOM 1078 CZ ARG A 73 -10.650 3.098 6.873 1.00 60.31 C ATOM 1079 NH1 ARG A 73 -11.230 1.941 6.863 1.00 4.50 N ATOM 1080 NH2 ARG A 73 -11.369 4.156 6.702 1.00 4.40 N ATOM 0 H ARG A 73 -9.357 1.933 2.253 1.00 23.11 H new ATOM 0 HA ARG A 73 -9.024 3.647 4.664 1.00 75.32 H new ATOM 0 HB2 ARG A 73 -9.006 1.023 4.842 1.00 74.00 H new ATOM 0 HB3 ARG A 73 -7.466 1.107 4.011 1.00 74.00 H new ATOM 0 HG2 ARG A 73 -6.759 1.047 6.231 1.00 32.02 H new ATOM 0 HG3 ARG A 73 -6.784 2.776 5.946 1.00 32.02 H new ATOM 0 HD2 ARG A 73 -8.958 1.154 7.368 1.00 64.40 H new ATOM 0 HD3 ARG A 73 -7.815 2.238 8.134 1.00 64.40 H new ATOM 0 HE ARG A 73 -8.950 4.147 7.050 1.00 10.31 H new ATOM 0 HH11 ARG A 73 -10.678 1.093 6.987 1.00 4.50 H new ATOM 0 HH12 ARG A 73 -12.239 1.878 6.731 1.00 4.50 H new ATOM 0 HH21 ARG A 73 -10.929 5.076 6.698 1.00 4.40 H new ATOM 0 HH22 ARG A 73 -12.377 4.072 6.571 1.00 4.40 H new ATOM 1094 N ILE A 74 -6.977 4.812 3.741 1.00 5.04 N ATOM 1095 CA ILE A 74 -5.819 5.555 3.177 1.00 4.34 C ATOM 1096 C ILE A 74 -4.558 5.283 4.045 1.00 4.42 C ATOM 1097 O ILE A 74 -4.584 5.470 5.267 1.00 4.52 O ATOM 1098 CB ILE A 74 -6.073 7.124 3.076 1.00 33.13 C ATOM 1099 CG1 ILE A 74 -7.303 7.485 2.157 1.00 55.20 C ATOM 1100 CG2 ILE A 74 -4.794 7.871 2.589 1.00 5.04 C ATOM 1101 CD1 ILE A 74 -8.685 7.175 2.733 1.00 11.00 C ATOM 0 H ILE A 74 -7.421 5.278 4.532 1.00 5.04 H new ATOM 0 HA ILE A 74 -5.671 5.193 2.159 1.00 4.34 H new ATOM 0 HB ILE A 74 -6.315 7.460 4.084 1.00 33.13 H new ATOM 0 HG12 ILE A 74 -7.258 8.549 1.926 1.00 55.20 H new ATOM 0 HG13 ILE A 74 -7.196 6.949 1.214 1.00 55.20 H new ATOM 0 HG21 ILE A 74 -4.998 8.940 2.530 1.00 5.04 H new ATOM 0 HG22 ILE A 74 -3.980 7.695 3.292 1.00 5.04 H new ATOM 0 HG23 ILE A 74 -4.509 7.501 1.604 1.00 5.04 H new ATOM 0 HD11 ILE A 74 -9.452 7.465 2.015 1.00 11.00 H new ATOM 0 HD12 ILE A 74 -8.763 6.107 2.936 1.00 11.00 H new ATOM 0 HD13 ILE A 74 -8.826 7.732 3.659 1.00 11.00 H new ATOM 1113 N PHE A 75 -3.464 4.856 3.391 1.00 22.40 N ATOM 1114 CA PHE A 75 -2.161 4.578 4.039 1.00 31.14 C ATOM 1115 C PHE A 75 -1.197 5.751 3.825 1.00 31.12 C ATOM 1116 O PHE A 75 -0.961 6.161 2.695 1.00 61.31 O ATOM 1117 CB PHE A 75 -1.521 3.277 3.476 1.00 63.13 C ATOM 1118 CG PHE A 75 -2.092 1.995 4.049 1.00 1.45 C ATOM 1119 CD1 PHE A 75 -3.321 1.496 3.621 1.00 41.44 C ATOM 1120 CD2 PHE A 75 -1.400 1.296 5.039 1.00 51.31 C ATOM 1121 CE1 PHE A 75 -3.832 0.343 4.166 1.00 62.05 C ATOM 1122 CE2 PHE A 75 -1.912 0.145 5.582 1.00 21.20 C ATOM 1123 CZ PHE A 75 -3.126 -0.332 5.149 1.00 74.20 C ATOM 0 H PHE A 75 -3.455 4.691 2.385 1.00 22.40 H new ATOM 0 HA PHE A 75 -2.344 4.446 5.105 1.00 31.14 H new ATOM 0 HB2 PHE A 75 -1.648 3.264 2.393 1.00 63.13 H new ATOM 0 HB3 PHE A 75 -0.449 3.301 3.671 1.00 63.13 H new ATOM 0 HD1 PHE A 75 -3.875 2.019 2.856 1.00 41.44 H new ATOM 0 HD2 PHE A 75 -0.446 1.667 5.383 1.00 51.31 H new ATOM 0 HE1 PHE A 75 -4.785 -0.038 3.828 1.00 62.05 H new ATOM 0 HE2 PHE A 75 -1.363 -0.384 6.347 1.00 21.20 H new ATOM 0 HZ PHE A 75 -3.532 -1.237 5.577 1.00 74.20 H new ATOM 1133 N LEU A 76 -0.655 6.281 4.922 1.00 14.44 N ATOM 1134 CA LEU A 76 0.369 7.325 4.896 1.00 11.33 C ATOM 1135 C LEU A 76 1.736 6.674 5.186 1.00 54.44 C ATOM 1136 O LEU A 76 2.098 6.440 6.349 1.00 14.25 O ATOM 1137 CB LEU A 76 0.013 8.423 5.933 1.00 63.34 C ATOM 1138 CG LEU A 76 -1.417 9.042 5.796 1.00 54.14 C ATOM 1139 CD1 LEU A 76 -1.672 10.099 6.889 1.00 35.14 C ATOM 1140 CD2 LEU A 76 -1.652 9.615 4.376 1.00 1.43 C ATOM 0 H LEU A 76 -0.918 5.994 5.865 1.00 14.44 H new ATOM 0 HA LEU A 76 0.417 7.804 3.918 1.00 11.33 H new ATOM 0 HB2 LEU A 76 0.112 8.000 6.933 1.00 63.34 H new ATOM 0 HB3 LEU A 76 0.746 9.225 5.852 1.00 63.34 H new ATOM 0 HG LEU A 76 -2.142 8.241 5.942 1.00 54.14 H new ATOM 0 HD11 LEU A 76 -2.673 10.512 6.769 1.00 35.14 H new ATOM 0 HD12 LEU A 76 -1.586 9.635 7.871 1.00 35.14 H new ATOM 0 HD13 LEU A 76 -0.937 10.899 6.800 1.00 35.14 H new ATOM 0 HD21 LEU A 76 -2.655 10.037 4.315 1.00 1.43 H new ATOM 0 HD22 LEU A 76 -0.917 10.394 4.172 1.00 1.43 H new ATOM 0 HD23 LEU A 76 -1.549 8.817 3.640 1.00 1.43 H new ATOM 1152 N VAL A 77 2.449 6.314 4.107 1.00 64.44 N ATOM 1153 CA VAL A 77 3.762 5.642 4.181 1.00 35.21 C ATOM 1154 C VAL A 77 4.902 6.672 4.062 1.00 24.11 C ATOM 1155 O VAL A 77 4.931 7.472 3.119 1.00 40.51 O ATOM 1156 CB VAL A 77 3.886 4.541 3.058 1.00 54.20 C ATOM 1157 CG1 VAL A 77 5.311 3.926 2.996 1.00 63.02 C ATOM 1158 CG2 VAL A 77 2.804 3.441 3.259 1.00 53.23 C ATOM 0 H VAL A 77 2.132 6.481 3.152 1.00 64.44 H new ATOM 0 HA VAL A 77 3.844 5.150 5.150 1.00 35.21 H new ATOM 0 HB VAL A 77 3.714 5.027 2.097 1.00 54.20 H new ATOM 0 HG11 VAL A 77 5.348 3.173 2.209 1.00 63.02 H new ATOM 0 HG12 VAL A 77 6.037 4.711 2.783 1.00 63.02 H new ATOM 0 HG13 VAL A 77 5.549 3.462 3.953 1.00 63.02 H new ATOM 0 HG21 VAL A 77 2.901 2.688 2.477 1.00 53.23 H new ATOM 0 HG22 VAL A 77 2.939 2.972 4.234 1.00 53.23 H new ATOM 0 HG23 VAL A 77 1.813 3.892 3.207 1.00 53.23 H new ATOM 1168 N SER A 78 5.829 6.647 5.036 1.00 40.23 N ATOM 1169 CA SER A 78 6.987 7.567 5.091 1.00 74.14 C ATOM 1170 C SER A 78 8.310 6.780 5.031 1.00 53.24 C ATOM 1171 O SER A 78 8.590 5.960 5.912 1.00 44.43 O ATOM 1172 CB SER A 78 6.930 8.419 6.383 1.00 61.45 C ATOM 1173 OG SER A 78 6.951 7.610 7.555 1.00 54.42 O ATOM 0 H SER A 78 5.799 5.986 5.812 1.00 40.23 H new ATOM 0 HA SER A 78 6.942 8.230 4.227 1.00 74.14 H new ATOM 0 HB2 SER A 78 7.775 9.107 6.402 1.00 61.45 H new ATOM 0 HB3 SER A 78 6.025 9.026 6.378 1.00 61.45 H new ATOM 0 HG SER A 78 7.453 6.788 7.376 1.00 54.42 H new ATOM 1179 N VAL A 79 9.113 7.013 3.977 1.00 60.03 N ATOM 1180 CA VAL A 79 10.449 6.400 3.854 1.00 31.11 C ATOM 1181 C VAL A 79 11.494 7.253 4.621 1.00 4.54 C ATOM 1182 O VAL A 79 11.837 8.366 4.206 1.00 45.32 O ATOM 1183 CB VAL A 79 10.874 6.220 2.352 1.00 30.23 C ATOM 1184 CG1 VAL A 79 12.296 5.626 2.230 1.00 2.15 C ATOM 1185 CG2 VAL A 79 9.847 5.347 1.586 1.00 20.42 C ATOM 0 H VAL A 79 8.860 7.621 3.198 1.00 60.03 H new ATOM 0 HA VAL A 79 10.404 5.405 4.296 1.00 31.11 H new ATOM 0 HB VAL A 79 10.890 7.210 1.897 1.00 30.23 H new ATOM 0 HG11 VAL A 79 12.555 5.516 1.177 1.00 2.15 H new ATOM 0 HG12 VAL A 79 13.011 6.292 2.712 1.00 2.15 H new ATOM 0 HG13 VAL A 79 12.326 4.650 2.715 1.00 2.15 H new ATOM 0 HG21 VAL A 79 10.164 5.238 0.549 1.00 20.42 H new ATOM 0 HG22 VAL A 79 9.786 4.364 2.052 1.00 20.42 H new ATOM 0 HG23 VAL A 79 8.868 5.825 1.617 1.00 20.42 H new ATOM 1195 N GLU A 80 11.957 6.713 5.754 1.00 3.24 N ATOM 1196 CA GLU A 80 12.941 7.359 6.649 1.00 73.20 C ATOM 1197 C GLU A 80 13.523 6.308 7.627 1.00 64.01 C ATOM 1198 O GLU A 80 13.282 5.108 7.453 1.00 13.25 O ATOM 1199 CB GLU A 80 12.282 8.536 7.425 1.00 23.33 C ATOM 1200 CG GLU A 80 11.062 8.132 8.278 1.00 64.20 C ATOM 1201 CD GLU A 80 10.384 9.326 8.958 1.00 33.43 C ATOM 1202 OE1 GLU A 80 10.784 9.694 10.083 1.00 45.45 O ATOM 1203 OE2 GLU A 80 9.456 9.913 8.362 1.00 13.33 O ATOM 0 H GLU A 80 11.656 5.797 6.087 1.00 3.24 H new ATOM 0 HA GLU A 80 13.755 7.769 6.050 1.00 73.20 H new ATOM 0 HB2 GLU A 80 13.030 8.991 8.075 1.00 23.33 H new ATOM 0 HB3 GLU A 80 11.974 9.299 6.710 1.00 23.33 H new ATOM 0 HG2 GLU A 80 10.336 7.621 7.645 1.00 64.20 H new ATOM 0 HG3 GLU A 80 11.378 7.419 9.039 1.00 64.20 H new ATOM 1210 N GLU A 81 14.282 6.774 8.647 1.00 10.51 N ATOM 1211 CA GLU A 81 14.972 5.893 9.629 1.00 44.43 C ATOM 1212 C GLU A 81 15.980 4.945 8.895 1.00 31.13 C ATOM 1213 O GLU A 81 15.705 3.760 8.715 1.00 72.45 O ATOM 1214 CB GLU A 81 13.931 5.099 10.491 1.00 50.21 C ATOM 1215 CG GLU A 81 14.531 4.262 11.638 1.00 54.21 C ATOM 1216 CD GLU A 81 13.481 3.381 12.342 1.00 43.42 C ATOM 1217 OE1 GLU A 81 12.722 3.894 13.196 1.00 22.13 O ATOM 1218 OE2 GLU A 81 13.395 2.172 12.025 1.00 52.40 O ATOM 0 H GLU A 81 14.435 7.768 8.815 1.00 10.51 H new ATOM 0 HA GLU A 81 15.548 6.512 10.317 1.00 44.43 H new ATOM 0 HB2 GLU A 81 13.218 5.807 10.914 1.00 50.21 H new ATOM 0 HB3 GLU A 81 13.370 4.435 9.833 1.00 50.21 H new ATOM 0 HG2 GLU A 81 15.325 3.629 11.243 1.00 54.21 H new ATOM 0 HG3 GLU A 81 14.989 4.929 12.369 1.00 54.21 H new ATOM 1225 N PRO A 82 17.145 5.482 8.397 1.00 53.52 N ATOM 1226 CA PRO A 82 18.088 4.703 7.546 1.00 11.32 C ATOM 1227 C PRO A 82 18.873 3.597 8.338 1.00 1.11 C ATOM 1228 O PRO A 82 18.493 2.408 8.254 1.00 38.22 O ATOM 1229 CB PRO A 82 19.007 5.808 6.951 1.00 63.11 C ATOM 1230 CG PRO A 82 18.994 6.920 7.963 1.00 14.11 C ATOM 1231 CD PRO A 82 17.631 6.874 8.634 1.00 74.24 C ATOM 1232 OXT PRO A 82 19.845 3.920 9.059 1.00 38.22 O ATOM 0 HA PRO A 82 17.581 4.117 6.779 1.00 11.32 H new ATOM 0 HB2 PRO A 82 20.018 5.434 6.790 1.00 63.11 H new ATOM 0 HB3 PRO A 82 18.636 6.151 5.985 1.00 63.11 H new ATOM 0 HG2 PRO A 82 19.791 6.789 8.694 1.00 14.11 H new ATOM 0 HG3 PRO A 82 19.158 7.884 7.482 1.00 14.11 H new ATOM 0 HD2 PRO A 82 17.705 7.093 9.699 1.00 74.24 H new ATOM 0 HD3 PRO A 82 16.952 7.610 8.204 1.00 74.24 H new TER 1240 PRO A 82