USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 798 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0125 (180deg=0) USER MOD Single : A 2 SER OG : rot 127:sc= 0.261 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.178 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 170:sc= 0.582 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0772 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00535 X(o=-0.0054,f=0.074) USER MOD Single : A 63 TYR OH : rot 117:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -4.75! C(o=-6.4!,f=-4.8!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.102 F(o=-1.1,f=0.1) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.199 (180deg=0.18) USER MOD Single : A 81 HIS : no HE2:sc= -0.735 K(o=-0.74,f=-5.6!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -104:sc= 1.35 USER MOD Single : A 92 CYS SG : rot 180:sc= -2.03 USER MOD Single : A 96 GLN : amide:sc= -2.63! C(o=-2.6!,f=-7.8!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0597 F(o=-0.62,f=-0.06) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.176 9.506 14.340 1.00 0.00 N ATOM 2 CA GLY A 1 -16.495 10.278 13.318 1.00 0.00 C ATOM 3 C GLY A 1 -15.803 9.400 12.293 1.00 0.00 C ATOM 4 O GLY A 1 -15.265 8.346 12.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.904 9.858 15.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.205 9.601 14.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.908 8.505 14.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.215 10.922 12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.760 10.930 13.789 1.00 0.00 H new ATOM 8 N SER A 2 -15.818 9.835 11.037 1.00 0.00 N ATOM 9 CA SER A 2 -15.192 9.078 9.959 1.00 0.00 C ATOM 10 C SER A 2 -14.269 9.970 9.134 1.00 0.00 C ATOM 11 O SER A 2 -14.590 11.125 8.855 1.00 0.00 O ATOM 12 CB SER A 2 -16.260 8.457 9.057 1.00 0.00 C ATOM 13 OG SER A 2 -17.021 9.459 8.403 1.00 0.00 O ATOM 0 H SER A 2 -16.256 10.707 10.741 1.00 0.00 H new ATOM 0 HA SER A 2 -14.596 8.282 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.785 7.814 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.920 7.825 9.651 1.00 0.00 H new ATOM 0 HG SER A 2 -17.023 9.290 7.438 1.00 0.00 H new ATOM 19 N SER A 3 -13.120 9.425 8.747 1.00 0.00 N ATOM 20 CA SER A 3 -12.148 10.171 7.958 1.00 0.00 C ATOM 21 C SER A 3 -12.652 10.383 6.534 1.00 0.00 C ATOM 22 O SER A 3 -12.513 9.510 5.678 1.00 0.00 O ATOM 23 CB SER A 3 -10.807 9.434 7.932 1.00 0.00 C ATOM 24 OG SER A 3 -9.745 10.319 7.623 1.00 0.00 O ATOM 0 H SER A 3 -12.840 8.469 8.967 1.00 0.00 H new ATOM 0 HA SER A 3 -12.010 11.146 8.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.626 8.968 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.843 8.633 7.194 1.00 0.00 H new ATOM 0 HG SER A 3 -8.899 9.824 7.614 1.00 0.00 H new ATOM 30 N GLY A 4 -13.239 11.551 6.288 1.00 0.00 N ATOM 31 CA GLY A 4 -13.756 11.858 4.967 1.00 0.00 C ATOM 32 C GLY A 4 -15.271 11.852 4.922 1.00 0.00 C ATOM 33 O GLY A 4 -15.924 12.545 5.701 1.00 0.00 O ATOM 0 H GLY A 4 -13.366 12.290 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.390 12.836 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.371 11.131 4.252 1.00 0.00 H new ATOM 37 N SER A 5 -15.831 11.070 4.005 1.00 0.00 N ATOM 38 CA SER A 5 -17.279 10.982 3.857 1.00 0.00 C ATOM 39 C SER A 5 -17.862 9.950 4.818 1.00 0.00 C ATOM 40 O SER A 5 -17.147 9.087 5.327 1.00 0.00 O ATOM 41 CB SER A 5 -17.645 10.617 2.417 1.00 0.00 C ATOM 42 OG SER A 5 -17.300 11.661 1.523 1.00 0.00 O ATOM 0 H SER A 5 -15.304 10.488 3.353 1.00 0.00 H new ATOM 0 HA SER A 5 -17.703 11.957 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.129 9.701 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.714 10.415 2.350 1.00 0.00 H new ATOM 0 HG SER A 5 -17.542 11.403 0.609 1.00 0.00 H new ATOM 48 N SER A 6 -19.165 10.047 5.062 1.00 0.00 N ATOM 49 CA SER A 6 -19.844 9.126 5.965 1.00 0.00 C ATOM 50 C SER A 6 -20.027 7.760 5.311 1.00 0.00 C ATOM 51 O SER A 6 -20.565 7.653 4.210 1.00 0.00 O ATOM 52 CB SER A 6 -21.204 9.692 6.378 1.00 0.00 C ATOM 53 OG SER A 6 -22.020 9.935 5.246 1.00 0.00 O ATOM 0 H SER A 6 -19.771 10.754 4.647 1.00 0.00 H new ATOM 0 HA SER A 6 -19.224 9.005 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.704 8.992 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.062 10.619 6.934 1.00 0.00 H new ATOM 0 HG SER A 6 -21.825 9.270 4.553 1.00 0.00 H new ATOM 59 N GLY A 7 -19.574 6.716 5.999 1.00 0.00 N ATOM 60 CA GLY A 7 -19.697 5.370 5.470 1.00 0.00 C ATOM 61 C GLY A 7 -18.852 4.368 6.232 1.00 0.00 C ATOM 62 O GLY A 7 -17.790 4.710 6.755 1.00 0.00 O ATOM 0 H GLY A 7 -19.124 6.778 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.742 5.062 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.401 5.367 4.421 1.00 0.00 H new ATOM 66 N THR A 8 -19.323 3.127 6.298 1.00 0.00 N ATOM 67 CA THR A 8 -18.605 2.073 7.004 1.00 0.00 C ATOM 68 C THR A 8 -18.812 0.721 6.332 1.00 0.00 C ATOM 69 O THR A 8 -19.808 0.506 5.642 1.00 0.00 O ATOM 70 CB THR A 8 -19.054 1.976 8.475 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.456 1.696 8.542 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.754 3.269 9.218 1.00 0.00 C ATOM 0 H THR A 8 -20.199 2.827 5.871 1.00 0.00 H new ATOM 0 HA THR A 8 -17.547 2.334 6.970 1.00 0.00 H new ATOM 0 HB THR A 8 -18.499 1.166 8.949 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.733 1.634 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.080 3.177 10.254 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.682 3.464 9.190 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.285 4.094 8.743 1.00 0.00 H new ATOM 80 N ALA A 9 -17.865 -0.188 6.538 1.00 0.00 N ATOM 81 CA ALA A 9 -17.946 -1.521 5.954 1.00 0.00 C ATOM 82 C ALA A 9 -17.218 -2.545 6.819 1.00 0.00 C ATOM 83 O ALA A 9 -16.736 -2.223 7.905 1.00 0.00 O ATOM 84 CB ALA A 9 -17.372 -1.515 4.544 1.00 0.00 C ATOM 0 H ALA A 9 -17.033 -0.026 7.105 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.997 -1.806 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.439 -2.517 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.938 -0.820 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.328 -1.204 4.578 1.00 0.00 H new ATOM 90 N ARG A 10 -17.143 -3.779 6.330 1.00 0.00 N ATOM 91 CA ARG A 10 -16.476 -4.850 7.060 1.00 0.00 C ATOM 92 C ARG A 10 -15.345 -5.450 6.231 1.00 0.00 C ATOM 93 O ARG A 10 -15.183 -5.125 5.054 1.00 0.00 O ATOM 94 CB ARG A 10 -17.480 -5.941 7.438 1.00 0.00 C ATOM 95 CG ARG A 10 -18.157 -5.707 8.779 1.00 0.00 C ATOM 96 CD ARG A 10 -18.804 -6.979 9.305 1.00 0.00 C ATOM 97 NE ARG A 10 -19.425 -6.777 10.612 1.00 0.00 N ATOM 98 CZ ARG A 10 -19.635 -7.756 11.484 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.276 -8.998 11.192 1.00 0.00 N ATOM 100 NH2 ARG A 10 -20.206 -7.493 12.653 1.00 0.00 N ATOM 0 H ARG A 10 -17.536 -4.061 5.432 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.051 -4.426 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.243 -6.006 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.967 -6.902 7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.424 -5.345 9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.913 -4.929 8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.556 -7.323 8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.052 -7.765 9.378 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.713 -5.833 10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.837 -9.204 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.439 -9.747 11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.484 -6.539 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.367 -8.245 13.323 1.00 0.00 H new ATOM 114 N LEU A 11 -14.564 -6.328 6.852 1.00 0.00 N ATOM 115 CA LEU A 11 -13.447 -6.974 6.172 1.00 0.00 C ATOM 116 C LEU A 11 -13.754 -8.442 5.895 1.00 0.00 C ATOM 117 O LEU A 11 -14.336 -9.134 6.730 1.00 0.00 O ATOM 118 CB LEU A 11 -12.175 -6.857 7.015 1.00 0.00 C ATOM 119 CG LEU A 11 -10.888 -7.359 6.360 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.491 -6.457 5.202 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.766 -7.441 7.384 1.00 0.00 C ATOM 0 H LEU A 11 -14.684 -6.609 7.825 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.292 -6.468 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.037 -5.810 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.326 -7.409 7.943 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.069 -8.360 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.573 -6.830 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.287 -6.450 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.328 -5.444 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.858 -7.800 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.586 -6.452 7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.050 -8.129 8.180 1.00 0.00 H new ATOM 133 N VAL A 12 -13.356 -8.912 4.717 1.00 0.00 N ATOM 134 CA VAL A 12 -13.585 -10.299 4.331 1.00 0.00 C ATOM 135 C VAL A 12 -12.269 -11.017 4.052 1.00 0.00 C ATOM 136 O VAL A 12 -12.098 -12.182 4.409 1.00 0.00 O ATOM 137 CB VAL A 12 -14.482 -10.393 3.082 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.944 -10.520 3.483 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.270 -9.185 2.183 1.00 0.00 C ATOM 0 H VAL A 12 -12.874 -8.353 4.014 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.088 -10.781 5.169 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.205 -11.287 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.562 -10.585 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.080 -11.419 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.239 -9.647 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.911 -9.268 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.519 -8.276 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.227 -9.144 1.868 1.00 0.00 H new ATOM 149 N ALA A 13 -11.341 -10.312 3.414 1.00 0.00 N ATOM 150 CA ALA A 13 -10.038 -10.881 3.089 1.00 0.00 C ATOM 151 C ALA A 13 -8.915 -9.905 3.421 1.00 0.00 C ATOM 152 O ALA A 13 -8.430 -9.183 2.552 1.00 0.00 O ATOM 153 CB ALA A 13 -9.984 -11.271 1.620 1.00 0.00 C ATOM 0 H ALA A 13 -11.467 -9.346 3.112 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.898 -11.775 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.006 -11.694 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.757 -12.011 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.150 -10.388 1.003 1.00 0.00 H new ATOM 159 N GLY A 14 -8.506 -9.888 4.687 1.00 0.00 N ATOM 160 CA GLY A 14 -7.444 -8.995 5.111 1.00 0.00 C ATOM 161 C GLY A 14 -6.226 -9.075 4.211 1.00 0.00 C ATOM 162 O GLY A 14 -6.159 -9.920 3.319 1.00 0.00 O ATOM 0 H GLY A 14 -8.891 -10.477 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.817 -7.971 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.154 -9.240 6.133 1.00 0.00 H new ATOM 166 N LEU A 15 -5.262 -8.191 4.445 1.00 0.00 N ATOM 167 CA LEU A 15 -4.040 -8.164 3.647 1.00 0.00 C ATOM 168 C LEU A 15 -3.240 -9.449 3.832 1.00 0.00 C ATOM 169 O LEU A 15 -3.394 -10.148 4.833 1.00 0.00 O ATOM 170 CB LEU A 15 -3.184 -6.956 4.033 1.00 0.00 C ATOM 171 CG LEU A 15 -3.717 -5.590 3.602 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.247 -4.507 4.561 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.282 -5.271 2.180 1.00 0.00 C ATOM 0 H LEU A 15 -5.302 -7.484 5.179 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.322 -8.082 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.065 -6.952 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.191 -7.088 3.604 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.806 -5.622 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.636 -3.541 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.610 -4.727 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.157 -4.475 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.671 -4.295 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.193 -5.258 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.669 -6.031 1.502 1.00 0.00 H new ATOM 185 N GLU A 16 -2.385 -9.752 2.860 1.00 0.00 N ATOM 186 CA GLU A 16 -1.560 -10.953 2.917 1.00 0.00 C ATOM 187 C GLU A 16 -0.081 -10.604 2.784 1.00 0.00 C ATOM 188 O GLU A 16 0.320 -9.895 1.861 1.00 0.00 O ATOM 189 CB GLU A 16 -1.966 -11.931 1.812 1.00 0.00 C ATOM 190 CG GLU A 16 -1.888 -11.337 0.416 1.00 0.00 C ATOM 191 CD GLU A 16 -2.530 -12.225 -0.632 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.763 -12.419 -0.570 1.00 0.00 O ATOM 193 OE2 GLU A 16 -1.802 -12.725 -1.514 1.00 0.00 O ATOM 0 H GLU A 16 -2.246 -9.183 2.025 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.718 -11.425 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.322 -12.809 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.985 -12.272 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.378 -10.363 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.843 -11.169 0.154 1.00 0.00 H new ATOM 200 N ASP A 17 0.725 -11.105 3.714 1.00 0.00 N ATOM 201 CA ASP A 17 2.161 -10.847 3.701 1.00 0.00 C ATOM 202 C ASP A 17 2.734 -11.035 2.300 1.00 0.00 C ATOM 203 O ASP A 17 2.439 -12.021 1.624 1.00 0.00 O ATOM 204 CB ASP A 17 2.876 -11.773 4.687 1.00 0.00 C ATOM 205 CG ASP A 17 4.378 -11.572 4.684 1.00 0.00 C ATOM 206 OD1 ASP A 17 4.996 -11.731 3.610 1.00 0.00 O ATOM 207 OD2 ASP A 17 4.936 -11.255 5.755 1.00 0.00 O ATOM 0 H ASP A 17 0.409 -11.692 4.486 1.00 0.00 H new ATOM 0 HA ASP A 17 2.322 -9.812 4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.491 -11.597 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.650 -12.810 4.436 1.00 0.00 H new ATOM 212 N VAL A 18 3.555 -10.083 1.870 1.00 0.00 N ATOM 213 CA VAL A 18 4.171 -10.143 0.549 1.00 0.00 C ATOM 214 C VAL A 18 5.678 -9.930 0.635 1.00 0.00 C ATOM 215 O VAL A 18 6.143 -8.946 1.209 1.00 0.00 O ATOM 216 CB VAL A 18 3.568 -9.090 -0.400 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.316 -9.073 -1.724 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.086 -9.357 -0.619 1.00 0.00 C ATOM 0 H VAL A 18 3.809 -9.260 2.417 1.00 0.00 H new ATOM 0 HA VAL A 18 3.970 -11.138 0.151 1.00 0.00 H new ATOM 0 HB VAL A 18 3.673 -8.108 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.876 -8.323 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.364 -8.830 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.246 -10.054 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.676 -8.604 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.956 -10.346 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.563 -9.313 0.336 1.00 0.00 H new ATOM 228 N GLN A 19 6.435 -10.859 0.060 1.00 0.00 N ATOM 229 CA GLN A 19 7.890 -10.773 0.072 1.00 0.00 C ATOM 230 C GLN A 19 8.449 -10.796 -1.347 1.00 0.00 C ATOM 231 O GLN A 19 8.048 -11.620 -2.169 1.00 0.00 O ATOM 232 CB GLN A 19 8.484 -11.924 0.886 1.00 0.00 C ATOM 233 CG GLN A 19 8.566 -13.233 0.117 1.00 0.00 C ATOM 234 CD GLN A 19 9.037 -14.387 0.979 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.234 -15.062 1.625 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.344 -14.622 0.994 1.00 0.00 N ATOM 0 H GLN A 19 6.065 -11.679 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 19 8.169 -9.827 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.483 -11.645 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.880 -12.075 1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.585 -13.469 -0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.246 -13.113 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.974 -14.038 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.718 -15.387 1.556 1.00 0.00 H new ATOM 245 N VAL A 20 9.376 -9.886 -1.628 1.00 0.00 N ATOM 246 CA VAL A 20 9.990 -9.803 -2.948 1.00 0.00 C ATOM 247 C VAL A 20 11.391 -9.206 -2.865 1.00 0.00 C ATOM 248 O VAL A 20 11.690 -8.420 -1.966 1.00 0.00 O ATOM 249 CB VAL A 20 9.138 -8.954 -3.911 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.749 -9.554 -4.064 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.057 -7.516 -3.423 1.00 0.00 C ATOM 0 H VAL A 20 9.718 -9.196 -0.959 1.00 0.00 H new ATOM 0 HA VAL A 20 10.054 -10.821 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 20 9.617 -8.954 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.161 -8.941 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.831 -10.565 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.257 -9.586 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.452 -6.931 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.601 -7.493 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.060 -7.092 -3.371 1.00 0.00 H new ATOM 261 N TYR A 21 12.245 -9.583 -3.810 1.00 0.00 N ATOM 262 CA TYR A 21 13.616 -9.087 -3.843 1.00 0.00 C ATOM 263 C TYR A 21 13.658 -7.637 -4.318 1.00 0.00 C ATOM 264 O TYR A 21 12.781 -7.187 -5.056 1.00 0.00 O ATOM 265 CB TYR A 21 14.474 -9.960 -4.759 1.00 0.00 C ATOM 266 CG TYR A 21 14.952 -11.237 -4.105 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.048 -12.197 -3.668 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.307 -11.482 -3.923 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.480 -13.365 -3.069 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.748 -12.647 -3.326 1.00 0.00 C ATOM 271 CZ TYR A 21 15.831 -13.585 -2.901 1.00 0.00 C ATOM 272 OH TYR A 21 16.266 -14.747 -2.305 1.00 0.00 O ATOM 0 H TYR A 21 12.012 -10.230 -4.563 1.00 0.00 H new ATOM 0 HA TYR A 21 14.017 -9.131 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.899 -10.211 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.339 -9.385 -5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.989 -12.028 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.028 -10.749 -4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.764 -14.101 -2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.805 -12.822 -3.193 1.00 0.00 H new ATOM 0 HH TYR A 21 17.245 -14.747 -2.264 1.00 0.00 H new ATOM 282 N ASP A 22 14.685 -6.911 -3.889 1.00 0.00 N ATOM 283 CA ASP A 22 14.845 -5.513 -4.270 1.00 0.00 C ATOM 284 C ASP A 22 14.635 -5.331 -5.770 1.00 0.00 C ATOM 285 O ASP A 22 14.902 -6.236 -6.559 1.00 0.00 O ATOM 286 CB ASP A 22 16.233 -5.009 -3.872 1.00 0.00 C ATOM 287 CG ASP A 22 16.721 -3.887 -4.768 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.351 -2.722 -4.514 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.473 -4.175 -5.722 1.00 0.00 O ATOM 0 H ASP A 22 15.419 -7.268 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 22 14.090 -4.930 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.207 -4.660 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.942 -5.836 -3.912 1.00 0.00 H new ATOM 294 N GLY A 23 14.153 -4.153 -6.156 1.00 0.00 N ATOM 295 CA GLY A 23 13.913 -3.874 -7.560 1.00 0.00 C ATOM 296 C GLY A 23 12.593 -4.439 -8.046 1.00 0.00 C ATOM 297 O GLY A 23 11.923 -3.834 -8.883 1.00 0.00 O ATOM 0 H GLY A 23 13.925 -3.388 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.924 -2.796 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.725 -4.293 -8.154 1.00 0.00 H new ATOM 301 N GLU A 24 12.219 -5.602 -7.522 1.00 0.00 N ATOM 302 CA GLU A 24 10.972 -6.248 -7.911 1.00 0.00 C ATOM 303 C GLU A 24 9.775 -5.354 -7.598 1.00 0.00 C ATOM 304 O GLU A 24 9.934 -4.234 -7.112 1.00 0.00 O ATOM 305 CB GLU A 24 10.821 -7.591 -7.192 1.00 0.00 C ATOM 306 CG GLU A 24 11.944 -8.570 -7.490 1.00 0.00 C ATOM 307 CD GLU A 24 12.138 -8.801 -8.976 1.00 0.00 C ATOM 308 OE1 GLU A 24 12.779 -7.951 -9.629 1.00 0.00 O ATOM 309 OE2 GLU A 24 11.649 -9.831 -9.485 1.00 0.00 O ATOM 0 H GLU A 24 12.762 -6.115 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 24 11.003 -6.421 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.779 -7.415 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.871 -8.042 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.872 -8.194 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.730 -9.521 -7.003 1.00 0.00 H new ATOM 316 N ASP A 25 8.579 -5.857 -7.880 1.00 0.00 N ATOM 317 CA ASP A 25 7.354 -5.106 -7.629 1.00 0.00 C ATOM 318 C ASP A 25 6.485 -5.813 -6.594 1.00 0.00 C ATOM 319 O ASP A 25 6.050 -6.945 -6.804 1.00 0.00 O ATOM 320 CB ASP A 25 6.570 -4.917 -8.928 1.00 0.00 C ATOM 321 CG ASP A 25 6.700 -6.106 -9.860 1.00 0.00 C ATOM 322 OD1 ASP A 25 7.679 -6.149 -10.633 1.00 0.00 O ATOM 323 OD2 ASP A 25 5.821 -6.992 -9.818 1.00 0.00 O ATOM 0 H ASP A 25 8.431 -6.782 -8.283 1.00 0.00 H new ATOM 0 HA ASP A 25 7.632 -4.128 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.518 -4.756 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.925 -4.020 -9.436 1.00 0.00 H new ATOM 328 N ALA A 26 6.238 -5.138 -5.476 1.00 0.00 N ATOM 329 CA ALA A 26 5.420 -5.702 -4.409 1.00 0.00 C ATOM 330 C ALA A 26 3.988 -5.182 -4.481 1.00 0.00 C ATOM 331 O ALA A 26 3.751 -3.976 -4.419 1.00 0.00 O ATOM 332 CB ALA A 26 6.031 -5.384 -3.052 1.00 0.00 C ATOM 0 H ALA A 26 6.592 -4.201 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 26 5.393 -6.784 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.410 -5.811 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.033 -5.810 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.088 -4.303 -2.923 1.00 0.00 H new ATOM 338 N VAL A 27 3.036 -6.101 -4.615 1.00 0.00 N ATOM 339 CA VAL A 27 1.627 -5.735 -4.696 1.00 0.00 C ATOM 340 C VAL A 27 0.803 -6.492 -3.661 1.00 0.00 C ATOM 341 O VAL A 27 1.004 -7.687 -3.444 1.00 0.00 O ATOM 342 CB VAL A 27 1.054 -6.016 -6.098 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.693 -7.260 -6.696 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.459 -6.160 -6.035 1.00 0.00 C ATOM 0 H VAL A 27 3.215 -7.104 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 27 1.565 -4.666 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 27 1.289 -5.170 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.276 -7.443 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.770 -7.113 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.492 -8.117 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.848 -6.358 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.719 -6.987 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.897 -5.238 -5.652 1.00 0.00 H new ATOM 354 N PHE A 28 -0.128 -5.789 -3.024 1.00 0.00 N ATOM 355 CA PHE A 28 -0.984 -6.394 -2.010 1.00 0.00 C ATOM 356 C PHE A 28 -2.430 -6.466 -2.492 1.00 0.00 C ATOM 357 O PHE A 28 -2.776 -5.911 -3.535 1.00 0.00 O ATOM 358 CB PHE A 28 -0.908 -5.597 -0.706 1.00 0.00 C ATOM 359 CG PHE A 28 0.347 -5.850 0.079 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.414 -6.895 0.986 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.461 -5.042 -0.090 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.568 -7.131 1.710 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.617 -5.274 0.630 1.00 0.00 C ATOM 364 CZ PHE A 28 2.670 -6.318 1.532 1.00 0.00 C ATOM 0 H PHE A 28 -0.309 -4.799 -3.192 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.629 -7.408 -1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.975 -4.533 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.770 -5.845 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.446 -7.533 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.425 -4.222 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.608 -7.950 2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.479 -4.639 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.572 -6.499 2.098 1.00 0.00 H new ATOM 374 N SER A 29 -3.269 -7.155 -1.725 1.00 0.00 N ATOM 375 CA SER A 29 -4.676 -7.304 -2.075 1.00 0.00 C ATOM 376 C SER A 29 -5.525 -7.536 -0.828 1.00 0.00 C ATOM 377 O SER A 29 -5.079 -8.164 0.132 1.00 0.00 O ATOM 378 CB SER A 29 -4.860 -8.466 -3.054 1.00 0.00 C ATOM 379 OG SER A 29 -4.709 -9.713 -2.398 1.00 0.00 O ATOM 0 H SER A 29 -2.999 -7.619 -0.858 1.00 0.00 H new ATOM 0 HA SER A 29 -5.006 -6.381 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.848 -8.409 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.131 -8.385 -3.861 1.00 0.00 H new ATOM 0 HG SER A 29 -4.833 -10.440 -3.044 1.00 0.00 H new ATOM 385 N LEU A 30 -6.750 -7.023 -0.851 1.00 0.00 N ATOM 386 CA LEU A 30 -7.663 -7.172 0.278 1.00 0.00 C ATOM 387 C LEU A 30 -9.111 -7.001 -0.168 1.00 0.00 C ATOM 388 O LEU A 30 -9.423 -6.127 -0.977 1.00 0.00 O ATOM 389 CB LEU A 30 -7.328 -6.153 1.368 1.00 0.00 C ATOM 390 CG LEU A 30 -7.649 -4.694 1.044 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.065 -4.349 1.478 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.644 -3.766 1.711 1.00 0.00 C ATOM 0 H LEU A 30 -7.134 -6.500 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.543 -8.177 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.867 -6.430 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.264 -6.229 1.594 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.579 -4.558 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.275 -3.306 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.773 -4.991 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.164 -4.502 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.888 -2.731 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.682 -3.905 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.641 -3.996 1.350 1.00 0.00 H new ATOM 404 N ASP A 31 -9.992 -7.839 0.367 1.00 0.00 N ATOM 405 CA ASP A 31 -11.409 -7.778 0.028 1.00 0.00 C ATOM 406 C ASP A 31 -12.215 -7.164 1.168 1.00 0.00 C ATOM 407 O ASP A 31 -11.813 -7.226 2.331 1.00 0.00 O ATOM 408 CB ASP A 31 -11.939 -9.177 -0.292 1.00 0.00 C ATOM 409 CG ASP A 31 -11.333 -9.750 -1.558 1.00 0.00 C ATOM 410 OD1 ASP A 31 -11.609 -9.205 -2.647 1.00 0.00 O ATOM 411 OD2 ASP A 31 -10.583 -10.744 -1.460 1.00 0.00 O ATOM 0 H ASP A 31 -9.750 -8.569 1.037 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.520 -7.145 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.725 -9.843 0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.023 -9.136 -0.398 1.00 0.00 H new ATOM 416 N LEU A 32 -13.354 -6.571 0.828 1.00 0.00 N ATOM 417 CA LEU A 32 -14.217 -5.944 1.823 1.00 0.00 C ATOM 418 C LEU A 32 -15.651 -6.449 1.696 1.00 0.00 C ATOM 419 O LEU A 32 -15.947 -7.305 0.862 1.00 0.00 O ATOM 420 CB LEU A 32 -14.185 -4.423 1.669 1.00 0.00 C ATOM 421 CG LEU A 32 -12.798 -3.787 1.571 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.909 -2.319 1.189 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.046 -3.943 2.885 1.00 0.00 C ATOM 0 H LEU A 32 -13.701 -6.511 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.843 -6.211 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.749 -4.157 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.706 -3.981 2.518 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.237 -4.302 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.912 -1.884 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.407 -2.231 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.488 -1.789 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.061 -3.485 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.604 -3.454 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.934 -5.002 3.117 1.00 0.00 H new ATOM 435 N SER A 33 -16.538 -5.913 2.529 1.00 0.00 N ATOM 436 CA SER A 33 -17.940 -6.311 2.511 1.00 0.00 C ATOM 437 C SER A 33 -18.750 -5.407 1.585 1.00 0.00 C ATOM 438 O SER A 33 -19.723 -5.842 0.969 1.00 0.00 O ATOM 439 CB SER A 33 -18.523 -6.265 3.925 1.00 0.00 C ATOM 440 OG SER A 33 -18.862 -4.939 4.294 1.00 0.00 O ATOM 0 H SER A 33 -16.310 -5.202 3.224 1.00 0.00 H new ATOM 0 HA SER A 33 -17.997 -7.332 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.409 -6.898 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.800 -6.669 4.633 1.00 0.00 H new ATOM 0 HG SER A 33 -19.377 -4.953 5.128 1.00 0.00 H new ATOM 446 N THR A 34 -18.340 -4.146 1.493 1.00 0.00 N ATOM 447 CA THR A 34 -19.025 -3.180 0.644 1.00 0.00 C ATOM 448 C THR A 34 -18.128 -1.988 0.331 1.00 0.00 C ATOM 449 O THR A 34 -17.077 -1.811 0.949 1.00 0.00 O ATOM 450 CB THR A 34 -20.321 -2.673 1.304 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.117 -1.969 0.344 1.00 0.00 O ATOM 452 CG2 THR A 34 -20.008 -1.758 2.479 1.00 0.00 C ATOM 0 H THR A 34 -17.537 -3.770 1.996 1.00 0.00 H new ATOM 0 HA THR A 34 -19.275 -3.696 -0.283 1.00 0.00 H new ATOM 0 HB THR A 34 -20.876 -3.536 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.940 -1.651 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.939 -1.412 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.427 -2.305 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.434 -0.900 2.129 1.00 0.00 H new ATOM 460 N ILE A 35 -18.548 -1.174 -0.631 1.00 0.00 N ATOM 461 CA ILE A 35 -17.782 0.002 -1.024 1.00 0.00 C ATOM 462 C ILE A 35 -17.475 0.886 0.181 1.00 0.00 C ATOM 463 O ILE A 35 -18.267 0.970 1.120 1.00 0.00 O ATOM 464 CB ILE A 35 -18.531 0.835 -2.080 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.881 -0.032 -3.291 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.693 2.032 -2.503 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.229 -0.708 -3.181 1.00 0.00 C ATOM 0 H ILE A 35 -19.414 -1.307 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.848 -0.359 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.458 1.203 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.867 0.588 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.111 -0.793 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.236 2.611 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.490 2.659 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.751 1.685 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.410 -1.306 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.241 -1.354 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -21.008 0.048 -3.086 1.00 0.00 H new ATOM 479 N ILE A 36 -16.322 1.546 0.145 1.00 0.00 N ATOM 480 CA ILE A 36 -15.913 2.426 1.232 1.00 0.00 C ATOM 481 C ILE A 36 -14.641 3.188 0.874 1.00 0.00 C ATOM 482 O ILE A 36 -13.817 2.707 0.097 1.00 0.00 O ATOM 483 CB ILE A 36 -15.676 1.640 2.535 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.508 2.601 3.714 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.455 0.743 2.398 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.631 1.929 5.063 1.00 0.00 C ATOM 0 H ILE A 36 -15.655 1.488 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.727 3.134 1.387 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.546 1.011 2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.532 3.082 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.258 3.389 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.301 0.194 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.611 0.038 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.577 1.353 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.501 2.670 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.616 1.472 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.864 1.160 5.158 1.00 0.00 H new ATOM 498 N GLN A 37 -14.489 4.377 1.447 1.00 0.00 N ATOM 499 CA GLN A 37 -13.317 5.205 1.188 1.00 0.00 C ATOM 500 C GLN A 37 -12.342 5.150 2.360 1.00 0.00 C ATOM 501 O GLN A 37 -12.587 5.737 3.413 1.00 0.00 O ATOM 502 CB GLN A 37 -13.736 6.653 0.927 1.00 0.00 C ATOM 503 CG GLN A 37 -12.609 7.527 0.402 1.00 0.00 C ATOM 504 CD GLN A 37 -13.028 8.973 0.221 1.00 0.00 C ATOM 505 OE1 GLN A 37 -14.029 9.264 -0.436 1.00 0.00 O ATOM 506 NE2 GLN A 37 -12.263 9.889 0.803 1.00 0.00 N ATOM 0 H GLN A 37 -15.162 4.789 2.093 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.816 4.814 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.556 6.661 0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.118 7.084 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.767 7.480 1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.262 7.131 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.443 9.603 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.495 10.878 0.715 1.00 0.00 H new ATOM 515 N GLY A 38 -11.235 4.439 2.169 1.00 0.00 N ATOM 516 CA GLY A 38 -10.240 4.319 3.219 1.00 0.00 C ATOM 517 C GLY A 38 -8.914 4.947 2.835 1.00 0.00 C ATOM 518 O GLY A 38 -8.832 5.697 1.862 1.00 0.00 O ATOM 0 H GLY A 38 -11.009 3.944 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.614 4.794 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.086 3.265 3.451 1.00 0.00 H new ATOM 522 N THR A 39 -7.873 4.642 3.603 1.00 0.00 N ATOM 523 CA THR A 39 -6.545 5.184 3.341 1.00 0.00 C ATOM 524 C THR A 39 -5.470 4.119 3.527 1.00 0.00 C ATOM 525 O THR A 39 -5.535 3.315 4.457 1.00 0.00 O ATOM 526 CB THR A 39 -6.234 6.378 4.262 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.098 7.477 3.949 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.783 6.810 4.116 1.00 0.00 C ATOM 0 H THR A 39 -7.924 4.022 4.412 1.00 0.00 H new ATOM 0 HA THR A 39 -6.541 5.523 2.305 1.00 0.00 H new ATOM 0 HB THR A 39 -6.402 6.067 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.895 8.232 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.587 7.655 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.128 5.981 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.593 7.104 3.084 1.00 0.00 H new ATOM 536 N TRP A 40 -4.483 4.120 2.639 1.00 0.00 N ATOM 537 CA TRP A 40 -3.393 3.153 2.707 1.00 0.00 C ATOM 538 C TRP A 40 -2.264 3.668 3.593 1.00 0.00 C ATOM 539 O TRP A 40 -2.056 4.875 3.711 1.00 0.00 O ATOM 540 CB TRP A 40 -2.861 2.854 1.304 1.00 0.00 C ATOM 541 CG TRP A 40 -3.683 1.844 0.561 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.686 2.100 -0.330 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.571 0.420 0.645 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.205 0.919 -0.804 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.538 -0.126 -0.222 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.747 -0.448 1.366 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.702 -1.499 -0.384 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.911 -1.811 1.205 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.882 -2.326 0.335 1.00 0.00 C ATOM 0 H TRP A 40 -4.415 4.779 1.864 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.782 2.233 3.144 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.830 3.780 0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.836 2.492 1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.022 3.085 -0.619 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.964 0.834 -1.480 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.995 -0.061 2.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.450 -1.897 -1.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.280 -2.491 1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.985 -3.396 0.230 1.00 0.00 H new ATOM 560 N PHE A 41 -1.537 2.744 4.213 1.00 0.00 N ATOM 561 CA PHE A 41 -0.429 3.105 5.089 1.00 0.00 C ATOM 562 C PHE A 41 0.863 2.428 4.640 1.00 0.00 C ATOM 563 O PHE A 41 0.840 1.485 3.848 1.00 0.00 O ATOM 564 CB PHE A 41 -0.746 2.717 6.535 1.00 0.00 C ATOM 565 CG PHE A 41 -1.432 3.804 7.311 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.692 4.247 6.942 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.818 4.383 8.410 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.325 5.248 7.654 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.446 5.384 9.126 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.702 5.816 8.748 1.00 0.00 C ATOM 0 H PHE A 41 -1.695 1.740 4.125 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.291 4.185 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.377 1.828 6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.181 2.449 7.042 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.185 3.805 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.164 4.048 8.711 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.306 5.586 7.355 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.955 5.828 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.196 6.597 9.307 1.00 0.00 H new ATOM 580 N LEU A 42 1.988 2.915 5.152 1.00 0.00 N ATOM 581 CA LEU A 42 3.290 2.357 4.804 1.00 0.00 C ATOM 582 C LEU A 42 4.296 2.579 5.930 1.00 0.00 C ATOM 583 O LEU A 42 4.694 3.710 6.205 1.00 0.00 O ATOM 584 CB LEU A 42 3.808 2.989 3.511 1.00 0.00 C ATOM 585 CG LEU A 42 5.291 2.774 3.206 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.569 1.307 2.914 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.727 3.644 2.036 1.00 0.00 C ATOM 0 H LEU A 42 2.025 3.694 5.809 1.00 0.00 H new ATOM 0 HA LEU A 42 3.170 1.284 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.225 2.594 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.618 4.061 3.553 1.00 0.00 H new ATOM 0 HG LEU A 42 5.868 3.065 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.629 1.173 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.296 0.705 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.981 0.990 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.785 3.478 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.143 3.385 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.565 4.693 2.283 1.00 0.00 H new ATOM 599 N ASN A 43 4.703 1.491 6.576 1.00 0.00 N ATOM 600 CA ASN A 43 5.663 1.566 7.671 1.00 0.00 C ATOM 601 C ASN A 43 5.096 2.370 8.837 1.00 0.00 C ATOM 602 O ASN A 43 5.791 3.191 9.434 1.00 0.00 O ATOM 603 CB ASN A 43 6.970 2.199 7.188 1.00 0.00 C ATOM 604 CG ASN A 43 7.924 1.178 6.601 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.109 0.094 7.155 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.537 1.520 5.474 1.00 0.00 N ATOM 0 H ASN A 43 4.383 0.547 6.360 1.00 0.00 H new ATOM 0 HA ASN A 43 5.864 0.552 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.748 2.958 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.454 2.707 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.191 0.874 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.354 2.429 5.049 1.00 0.00 H new ATOM 613 N GLY A 44 3.829 2.127 9.156 1.00 0.00 N ATOM 614 CA GLY A 44 3.190 2.835 10.250 1.00 0.00 C ATOM 615 C GLY A 44 2.685 4.204 9.838 1.00 0.00 C ATOM 616 O GLY A 44 1.701 4.700 10.386 1.00 0.00 O ATOM 0 H GLY A 44 3.233 1.452 8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.356 2.241 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.899 2.944 11.071 1.00 0.00 H new ATOM 620 N GLU A 45 3.361 4.816 8.871 1.00 0.00 N ATOM 621 CA GLU A 45 2.976 6.137 8.388 1.00 0.00 C ATOM 622 C GLU A 45 1.815 6.039 7.403 1.00 0.00 C ATOM 623 O GLU A 45 1.390 4.944 7.037 1.00 0.00 O ATOM 624 CB GLU A 45 4.167 6.829 7.722 1.00 0.00 C ATOM 625 CG GLU A 45 5.004 7.657 8.682 1.00 0.00 C ATOM 626 CD GLU A 45 6.346 8.051 8.095 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.386 9.005 7.291 1.00 0.00 O ATOM 628 OE2 GLU A 45 7.357 7.404 8.442 1.00 0.00 O ATOM 0 H GLU A 45 4.178 4.418 8.407 1.00 0.00 H new ATOM 0 HA GLU A 45 2.654 6.729 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.802 6.074 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.802 7.474 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.453 8.557 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.165 7.091 9.599 1.00 0.00 H new ATOM 635 N GLU A 46 1.307 7.193 6.979 1.00 0.00 N ATOM 636 CA GLU A 46 0.194 7.237 6.038 1.00 0.00 C ATOM 637 C GLU A 46 0.669 7.674 4.655 1.00 0.00 C ATOM 638 O GLU A 46 1.685 8.357 4.522 1.00 0.00 O ATOM 639 CB GLU A 46 -0.891 8.190 6.542 1.00 0.00 C ATOM 640 CG GLU A 46 -2.111 8.255 5.639 1.00 0.00 C ATOM 641 CD GLU A 46 -3.259 9.024 6.263 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.080 10.224 6.556 1.00 0.00 O ATOM 643 OE2 GLU A 46 -4.338 8.425 6.458 1.00 0.00 O ATOM 0 H GLU A 46 1.648 8.108 7.272 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.223 6.233 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.203 7.877 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.468 9.190 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.835 8.725 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.441 7.242 5.407 1.00 0.00 H new ATOM 650 N LEU A 47 -0.073 7.274 3.628 1.00 0.00 N ATOM 651 CA LEU A 47 0.271 7.623 2.254 1.00 0.00 C ATOM 652 C LEU A 47 -0.576 8.792 1.761 1.00 0.00 C ATOM 653 O LEU A 47 -1.629 9.091 2.324 1.00 0.00 O ATOM 654 CB LEU A 47 0.075 6.415 1.336 1.00 0.00 C ATOM 655 CG LEU A 47 1.005 5.226 1.583 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.391 3.946 1.041 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.368 5.475 0.953 1.00 0.00 C ATOM 0 H LEU A 47 -0.916 6.708 3.721 1.00 0.00 H new ATOM 0 HA LEU A 47 1.319 7.922 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.955 6.072 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.204 6.743 0.305 1.00 0.00 H new ATOM 0 HG LEU A 47 1.140 5.112 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.067 3.111 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.560 3.760 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.225 4.048 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.017 4.619 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.252 5.616 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.813 6.369 1.390 1.00 0.00 H new ATOM 669 N LYS A 48 -0.109 9.450 0.706 1.00 0.00 N ATOM 670 CA LYS A 48 -0.823 10.585 0.133 1.00 0.00 C ATOM 671 C LYS A 48 -0.882 10.481 -1.387 1.00 0.00 C ATOM 672 O LYS A 48 0.059 10.864 -2.082 1.00 0.00 O ATOM 673 CB LYS A 48 -0.147 11.897 0.539 1.00 0.00 C ATOM 674 CG LYS A 48 1.322 11.966 0.161 1.00 0.00 C ATOM 675 CD LYS A 48 2.090 12.903 1.079 1.00 0.00 C ATOM 676 CE LYS A 48 3.494 13.168 0.556 1.00 0.00 C ATOM 677 NZ LYS A 48 3.525 14.313 -0.395 1.00 0.00 N ATOM 0 H LYS A 48 0.762 9.217 0.230 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.842 10.573 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.674 12.728 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.243 12.027 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.759 10.968 0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.418 12.306 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.551 13.846 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.148 12.469 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.161 13.374 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.872 12.274 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.499 14.461 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.909 14.107 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.189 15.172 0.085 1.00 0.00 H new ATOM 691 N SER A 49 -1.993 9.960 -1.898 1.00 0.00 N ATOM 692 CA SER A 49 -2.173 9.804 -3.336 1.00 0.00 C ATOM 693 C SER A 49 -1.677 11.038 -4.083 1.00 0.00 C ATOM 694 O SER A 49 -0.804 10.945 -4.945 1.00 0.00 O ATOM 695 CB SER A 49 -3.647 9.554 -3.663 1.00 0.00 C ATOM 696 OG SER A 49 -3.907 9.765 -5.040 1.00 0.00 O ATOM 0 H SER A 49 -2.782 9.639 -1.337 1.00 0.00 H new ATOM 0 HA SER A 49 -1.586 8.945 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.915 8.533 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.273 10.217 -3.066 1.00 0.00 H new ATOM 0 HG SER A 49 -4.855 9.597 -5.223 1.00 0.00 H new ATOM 702 N ASN A 50 -2.241 12.193 -3.746 1.00 0.00 N ATOM 703 CA ASN A 50 -1.858 13.446 -4.385 1.00 0.00 C ATOM 704 C ASN A 50 -0.367 13.456 -4.712 1.00 0.00 C ATOM 705 O ASN A 50 0.446 12.922 -3.959 1.00 0.00 O ATOM 706 CB ASN A 50 -2.200 14.631 -3.479 1.00 0.00 C ATOM 707 CG ASN A 50 -2.031 15.964 -4.181 1.00 0.00 C ATOM 708 OD1 ASN A 50 -0.946 16.547 -4.176 1.00 0.00 O ATOM 709 ND2 ASN A 50 -3.105 16.453 -4.789 1.00 0.00 N ATOM 0 H ASN A 50 -2.965 12.287 -3.034 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.418 13.536 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.229 14.534 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.562 14.605 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.052 17.347 -5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.984 15.935 -4.767 1.00 0.00 H new ATOM 716 N GLU A 51 -0.018 14.069 -5.839 1.00 0.00 N ATOM 717 CA GLU A 51 1.374 14.148 -6.265 1.00 0.00 C ATOM 718 C GLU A 51 2.228 14.839 -5.206 1.00 0.00 C ATOM 719 O GLU A 51 1.851 15.866 -4.641 1.00 0.00 O ATOM 720 CB GLU A 51 1.482 14.900 -7.593 1.00 0.00 C ATOM 721 CG GLU A 51 0.612 14.317 -8.694 1.00 0.00 C ATOM 722 CD GLU A 51 0.740 12.810 -8.803 1.00 0.00 C ATOM 723 OE1 GLU A 51 1.884 12.314 -8.859 1.00 0.00 O ATOM 724 OE2 GLU A 51 -0.305 12.127 -8.832 1.00 0.00 O ATOM 0 H GLU A 51 -0.680 14.518 -6.473 1.00 0.00 H new ATOM 0 HA GLU A 51 1.744 13.132 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.204 15.942 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.521 14.894 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.430 14.577 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.885 14.771 -9.647 1.00 0.00 H new ATOM 731 N PRO A 52 3.408 14.263 -4.930 1.00 0.00 N ATOM 732 CA PRO A 52 4.341 14.806 -3.938 1.00 0.00 C ATOM 733 C PRO A 52 4.976 16.115 -4.394 1.00 0.00 C ATOM 734 O PRO A 52 5.701 16.150 -5.388 1.00 0.00 O ATOM 735 CB PRO A 52 5.403 13.711 -3.813 1.00 0.00 C ATOM 736 CG PRO A 52 5.356 12.988 -5.115 1.00 0.00 C ATOM 737 CD PRO A 52 3.922 13.038 -5.565 1.00 0.00 C ATOM 0 HA PRO A 52 3.843 15.045 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.390 14.136 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.186 13.042 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.011 13.460 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.694 11.958 -5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.843 13.085 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.369 12.156 -5.243 1.00 0.00 H new ATOM 745 N GLU A 53 4.699 17.189 -3.661 1.00 0.00 N ATOM 746 CA GLU A 53 5.244 18.500 -3.993 1.00 0.00 C ATOM 747 C GLU A 53 5.735 19.218 -2.739 1.00 0.00 C ATOM 748 O GLU A 53 5.119 19.129 -1.678 1.00 0.00 O ATOM 749 CB GLU A 53 4.188 19.352 -4.701 1.00 0.00 C ATOM 750 CG GLU A 53 3.051 19.790 -3.794 1.00 0.00 C ATOM 751 CD GLU A 53 2.269 20.959 -4.360 1.00 0.00 C ATOM 752 OE1 GLU A 53 1.599 20.778 -5.398 1.00 0.00 O ATOM 753 OE2 GLU A 53 2.328 22.055 -3.765 1.00 0.00 O ATOM 0 H GLU A 53 4.101 17.177 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 53 6.091 18.354 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.668 20.236 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.777 18.786 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.375 18.950 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.454 20.066 -2.820 1.00 0.00 H new ATOM 760 N GLY A 54 6.851 19.930 -2.871 1.00 0.00 N ATOM 761 CA GLY A 54 7.407 20.652 -1.741 1.00 0.00 C ATOM 762 C GLY A 54 8.221 19.759 -0.826 1.00 0.00 C ATOM 763 O GLY A 54 9.359 20.082 -0.486 1.00 0.00 O ATOM 0 H GLY A 54 7.379 20.019 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.037 21.463 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.597 21.109 -1.172 1.00 0.00 H new ATOM 767 N GLN A 55 7.636 18.635 -0.426 1.00 0.00 N ATOM 768 CA GLN A 55 8.315 17.694 0.458 1.00 0.00 C ATOM 769 C GLN A 55 9.413 16.943 -0.287 1.00 0.00 C ATOM 770 O GLN A 55 10.593 17.050 0.051 1.00 0.00 O ATOM 771 CB GLN A 55 7.312 16.702 1.048 1.00 0.00 C ATOM 772 CG GLN A 55 6.392 17.315 2.092 1.00 0.00 C ATOM 773 CD GLN A 55 5.860 16.290 3.074 1.00 0.00 C ATOM 774 OE1 GLN A 55 5.137 15.367 2.697 1.00 0.00 O ATOM 775 NE2 GLN A 55 6.215 16.447 4.344 1.00 0.00 N ATOM 0 H GLN A 55 6.694 18.353 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 55 8.774 18.261 1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.707 16.287 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.856 15.872 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.932 18.089 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.555 17.802 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.816 17.226 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.887 15.788 5.050 1.00 0.00 H new ATOM 784 N VAL A 56 9.019 16.182 -1.303 1.00 0.00 N ATOM 785 CA VAL A 56 9.970 15.413 -2.096 1.00 0.00 C ATOM 786 C VAL A 56 9.705 15.583 -3.588 1.00 0.00 C ATOM 787 O VAL A 56 8.603 15.950 -3.994 1.00 0.00 O ATOM 788 CB VAL A 56 9.913 13.914 -1.744 1.00 0.00 C ATOM 789 CG1 VAL A 56 10.324 13.690 -0.297 1.00 0.00 C ATOM 790 CG2 VAL A 56 8.520 13.359 -2.003 1.00 0.00 C ATOM 0 H VAL A 56 8.047 16.082 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 56 10.962 15.797 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 56 10.617 13.381 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.278 12.626 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.342 14.050 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.647 14.234 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.498 12.299 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.795 13.894 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.268 13.485 -3.056 1.00 0.00 H new ATOM 800 N GLU A 57 10.724 15.313 -4.399 1.00 0.00 N ATOM 801 CA GLU A 57 10.600 15.438 -5.846 1.00 0.00 C ATOM 802 C GLU A 57 9.353 14.718 -6.350 1.00 0.00 C ATOM 803 O GLU A 57 8.888 13.742 -5.761 1.00 0.00 O ATOM 804 CB GLU A 57 11.843 14.871 -6.537 1.00 0.00 C ATOM 805 CG GLU A 57 12.025 13.377 -6.332 1.00 0.00 C ATOM 806 CD GLU A 57 13.400 12.894 -6.750 1.00 0.00 C ATOM 807 OE1 GLU A 57 14.386 13.258 -6.077 1.00 0.00 O ATOM 808 OE2 GLU A 57 13.490 12.152 -7.751 1.00 0.00 O ATOM 0 H GLU A 57 11.643 15.007 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 57 10.509 16.497 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.780 15.078 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.725 15.391 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.863 13.136 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.267 12.841 -6.903 1.00 0.00 H new ATOM 815 N PRO A 58 8.796 15.211 -7.466 1.00 0.00 N ATOM 816 CA PRO A 58 7.594 14.631 -8.074 1.00 0.00 C ATOM 817 C PRO A 58 7.861 13.263 -8.694 1.00 0.00 C ATOM 818 O PRO A 58 8.741 13.116 -9.541 1.00 0.00 O ATOM 819 CB PRO A 58 7.220 15.645 -9.158 1.00 0.00 C ATOM 820 CG PRO A 58 8.501 16.327 -9.496 1.00 0.00 C ATOM 821 CD PRO A 58 9.296 16.372 -8.221 1.00 0.00 C ATOM 0 HA PRO A 58 6.807 14.462 -7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.792 15.152 -10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.477 16.355 -8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.039 15.783 -10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.319 17.332 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.366 16.296 -8.412 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.134 17.304 -7.679 1.00 0.00 H new ATOM 829 N GLY A 59 7.094 12.265 -8.266 1.00 0.00 N ATOM 830 CA GLY A 59 7.263 10.922 -8.790 1.00 0.00 C ATOM 831 C GLY A 59 8.481 10.225 -8.216 1.00 0.00 C ATOM 832 O GLY A 59 9.076 9.365 -8.866 1.00 0.00 O ATOM 0 H GLY A 59 6.359 12.362 -7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.373 10.334 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.352 10.967 -9.875 1.00 0.00 H new ATOM 836 N ALA A 60 8.853 10.597 -6.996 1.00 0.00 N ATOM 837 CA ALA A 60 10.008 10.001 -6.335 1.00 0.00 C ATOM 838 C ALA A 60 9.942 8.478 -6.383 1.00 0.00 C ATOM 839 O ALA A 60 10.966 7.806 -6.513 1.00 0.00 O ATOM 840 CB ALA A 60 10.097 10.482 -4.894 1.00 0.00 C ATOM 0 H ALA A 60 8.372 11.308 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 60 10.905 10.317 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.964 10.029 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.199 11.567 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.193 10.194 -4.358 1.00 0.00 H new ATOM 846 N LEU A 61 8.733 7.939 -6.276 1.00 0.00 N ATOM 847 CA LEU A 61 8.533 6.494 -6.306 1.00 0.00 C ATOM 848 C LEU A 61 7.386 6.123 -7.239 1.00 0.00 C ATOM 849 O LEU A 61 6.479 6.921 -7.473 1.00 0.00 O ATOM 850 CB LEU A 61 8.251 5.969 -4.897 1.00 0.00 C ATOM 851 CG LEU A 61 6.813 6.119 -4.401 1.00 0.00 C ATOM 852 CD1 LEU A 61 6.463 4.998 -3.434 1.00 0.00 C ATOM 853 CD2 LEU A 61 6.615 7.476 -3.742 1.00 0.00 C ATOM 0 H LEU A 61 7.876 8.481 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 61 9.446 6.033 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.517 4.912 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.911 6.485 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 61 6.144 6.053 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.436 5.121 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.565 4.037 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.138 5.032 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.586 7.565 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.293 7.571 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.824 8.265 -4.464 1.00 0.00 H new ATOM 865 N ARG A 62 7.431 4.904 -7.769 1.00 0.00 N ATOM 866 CA ARG A 62 6.395 4.426 -8.675 1.00 0.00 C ATOM 867 C ARG A 62 5.440 3.477 -7.957 1.00 0.00 C ATOM 868 O ARG A 62 5.855 2.447 -7.425 1.00 0.00 O ATOM 869 CB ARG A 62 7.025 3.720 -9.877 1.00 0.00 C ATOM 870 CG ARG A 62 7.558 4.674 -10.933 1.00 0.00 C ATOM 871 CD ARG A 62 9.006 5.052 -10.663 1.00 0.00 C ATOM 872 NE ARG A 62 9.574 5.853 -11.744 1.00 0.00 N ATOM 873 CZ ARG A 62 10.879 5.969 -11.965 1.00 0.00 C ATOM 874 NH1 ARG A 62 11.746 5.339 -11.184 1.00 0.00 N ATOM 875 NH2 ARG A 62 11.319 6.716 -12.969 1.00 0.00 N ATOM 0 H ARG A 62 8.175 4.230 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 62 5.828 5.288 -9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.840 3.085 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.283 3.065 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.479 4.211 -11.916 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.944 5.574 -10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.067 5.610 -9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.599 4.147 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 62 8.934 6.351 -12.363 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.412 4.763 -10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.747 5.430 -11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.655 7.202 -13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.321 6.804 -13.138 1.00 0.00 H new ATOM 889 N TYR A 63 4.159 3.830 -7.947 1.00 0.00 N ATOM 890 CA TYR A 63 3.146 3.012 -7.292 1.00 0.00 C ATOM 891 C TYR A 63 1.787 3.188 -7.962 1.00 0.00 C ATOM 892 O TYR A 63 1.611 4.059 -8.815 1.00 0.00 O ATOM 893 CB TYR A 63 3.047 3.375 -5.809 1.00 0.00 C ATOM 894 CG TYR A 63 2.531 4.775 -5.562 1.00 0.00 C ATOM 895 CD1 TYR A 63 3.166 5.879 -6.119 1.00 0.00 C ATOM 896 CD2 TYR A 63 1.410 4.994 -4.772 1.00 0.00 C ATOM 897 CE1 TYR A 63 2.699 7.160 -5.895 1.00 0.00 C ATOM 898 CE2 TYR A 63 0.935 6.271 -4.544 1.00 0.00 C ATOM 899 CZ TYR A 63 1.583 7.351 -5.108 1.00 0.00 C ATOM 900 OH TYR A 63 1.114 8.624 -4.882 1.00 0.00 O ATOM 0 H TYR A 63 3.798 4.677 -8.385 1.00 0.00 H new ATOM 0 HA TYR A 63 3.444 1.968 -7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.390 2.661 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.031 3.274 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.039 5.733 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.901 4.151 -4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.205 8.007 -6.334 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.061 6.423 -3.928 1.00 0.00 H new ATOM 0 HH TYR A 63 0.212 8.712 -5.256 1.00 0.00 H new ATOM 910 N ARG A 64 0.828 2.355 -7.570 1.00 0.00 N ATOM 911 CA ARG A 64 -0.515 2.417 -8.132 1.00 0.00 C ATOM 912 C ARG A 64 -1.554 1.966 -7.110 1.00 0.00 C ATOM 913 O ARG A 64 -1.468 0.863 -6.569 1.00 0.00 O ATOM 914 CB ARG A 64 -0.607 1.546 -9.386 1.00 0.00 C ATOM 915 CG ARG A 64 -1.876 1.771 -10.192 1.00 0.00 C ATOM 916 CD ARG A 64 -2.154 0.606 -11.130 1.00 0.00 C ATOM 917 NE ARG A 64 -2.911 1.020 -12.308 1.00 0.00 N ATOM 918 CZ ARG A 64 -2.923 0.342 -13.450 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.223 -0.778 -13.567 1.00 0.00 N ATOM 920 NH2 ARG A 64 -3.637 0.783 -14.477 1.00 0.00 N ATOM 0 H ARG A 64 0.957 1.629 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.721 3.453 -8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.257 1.745 -10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.553 0.497 -9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.720 1.904 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.783 2.691 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.210 0.160 -11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.709 -0.165 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.461 1.877 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.674 -1.121 -12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.234 -1.297 -14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.178 1.644 -14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.646 0.262 -15.354 1.00 0.00 H new ATOM 934 N ILE A 65 -2.533 2.825 -6.850 1.00 0.00 N ATOM 935 CA ILE A 65 -3.588 2.515 -5.893 1.00 0.00 C ATOM 936 C ILE A 65 -4.911 2.244 -6.601 1.00 0.00 C ATOM 937 O ILE A 65 -5.431 3.102 -7.314 1.00 0.00 O ATOM 938 CB ILE A 65 -3.785 3.659 -4.881 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.502 3.885 -4.078 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.950 3.350 -3.952 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.566 5.088 -3.163 1.00 0.00 C ATOM 0 H ILE A 65 -2.618 3.742 -7.289 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.275 1.618 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.015 4.573 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.295 2.996 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.668 4.008 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.077 4.168 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.862 3.234 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.747 2.427 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.623 5.187 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.742 5.986 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.379 4.959 -2.448 1.00 0.00 H new ATOM 953 N GLU A 66 -5.450 1.046 -6.399 1.00 0.00 N ATOM 954 CA GLU A 66 -6.714 0.664 -7.018 1.00 0.00 C ATOM 955 C GLU A 66 -7.818 0.543 -5.972 1.00 0.00 C ATOM 956 O GLU A 66 -7.758 -0.312 -5.089 1.00 0.00 O ATOM 957 CB GLU A 66 -6.559 -0.661 -7.768 1.00 0.00 C ATOM 958 CG GLU A 66 -6.089 -0.496 -9.204 1.00 0.00 C ATOM 959 CD GLU A 66 -7.113 0.204 -10.076 1.00 0.00 C ATOM 960 OE1 GLU A 66 -7.240 1.442 -9.966 1.00 0.00 O ATOM 961 OE2 GLU A 66 -7.787 -0.486 -10.869 1.00 0.00 O ATOM 0 H GLU A 66 -5.032 0.324 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.993 1.444 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.849 -1.291 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.515 -1.184 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.159 0.072 -9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.868 -1.477 -9.625 1.00 0.00 H new ATOM 968 N GLN A 67 -8.824 1.405 -6.078 1.00 0.00 N ATOM 969 CA GLN A 67 -9.940 1.396 -5.141 1.00 0.00 C ATOM 970 C GLN A 67 -11.262 1.182 -5.871 1.00 0.00 C ATOM 971 O GLN A 67 -11.827 2.116 -6.442 1.00 0.00 O ATOM 972 CB GLN A 67 -9.984 2.707 -4.354 1.00 0.00 C ATOM 973 CG GLN A 67 -11.190 2.825 -3.436 1.00 0.00 C ATOM 974 CD GLN A 67 -12.433 3.301 -4.163 1.00 0.00 C ATOM 975 OE1 GLN A 67 -12.416 4.332 -4.835 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.520 2.549 -4.033 1.00 0.00 N ATOM 0 H GLN A 67 -8.889 2.119 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.792 0.569 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.075 2.795 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.988 3.542 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.390 1.856 -2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.959 3.518 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.489 1.702 -3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.386 2.819 -4.500 1.00 0.00 H new ATOM 985 N LYS A 68 -11.752 -0.053 -5.849 1.00 0.00 N ATOM 986 CA LYS A 68 -13.008 -0.390 -6.508 1.00 0.00 C ATOM 987 C LYS A 68 -13.980 -1.037 -5.527 1.00 0.00 C ATOM 988 O LYS A 68 -13.963 -2.251 -5.329 1.00 0.00 O ATOM 989 CB LYS A 68 -12.753 -1.333 -7.686 1.00 0.00 C ATOM 990 CG LYS A 68 -12.018 -0.677 -8.842 1.00 0.00 C ATOM 991 CD LYS A 68 -12.986 -0.091 -9.857 1.00 0.00 C ATOM 992 CE LYS A 68 -13.254 1.381 -9.585 1.00 0.00 C ATOM 993 NZ LYS A 68 -12.304 2.262 -10.320 1.00 0.00 N ATOM 0 H LYS A 68 -11.298 -0.838 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.454 0.533 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.174 -2.188 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.707 -1.719 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.368 0.111 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.377 -1.411 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.578 -0.208 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.925 -0.644 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.275 1.624 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.174 1.573 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.519 3.257 -10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.331 2.047 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.398 2.097 -11.343 1.00 0.00 H new ATOM 1007 N GLY A 69 -14.830 -0.217 -4.915 1.00 0.00 N ATOM 1008 CA GLY A 69 -15.799 -0.728 -3.963 1.00 0.00 C ATOM 1009 C GLY A 69 -15.149 -1.508 -2.837 1.00 0.00 C ATOM 1010 O GLY A 69 -14.375 -0.955 -2.055 1.00 0.00 O ATOM 0 H GLY A 69 -14.865 0.792 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.366 0.103 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.510 -1.370 -4.482 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.465 -2.795 -2.753 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.908 -3.654 -1.713 1.00 0.00 C ATOM 1016 C LEU A 70 -13.684 -4.405 -2.225 1.00 0.00 C ATOM 1017 O LEU A 70 -13.497 -5.583 -1.924 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.964 -4.648 -1.225 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.911 -5.198 -2.292 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.361 -6.605 -1.931 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.112 -4.280 -2.464 1.00 0.00 C ATOM 0 H LEU A 70 -16.104 -3.267 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.601 -3.022 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.453 -5.488 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.561 -4.163 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.374 -5.242 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.034 -6.981 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.491 -7.258 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.880 -6.586 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.775 -4.687 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.650 -4.204 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.773 -3.290 -2.769 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.853 -3.714 -2.999 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.645 -4.317 -3.551 1.00 0.00 C ATOM 1035 C GLN A 71 -10.524 -3.288 -3.659 1.00 0.00 C ATOM 1036 O GLN A 71 -10.561 -2.401 -4.512 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.934 -4.920 -4.927 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.987 -6.045 -5.309 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.530 -6.911 -6.428 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.968 -6.407 -7.463 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.506 -8.224 -6.227 1.00 0.00 N ATOM 0 H GLN A 71 -12.994 -2.737 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.323 -5.109 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.957 -5.296 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.873 -4.134 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.030 -5.621 -5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.796 -6.666 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.134 -8.600 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.859 -8.856 -6.945 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.528 -3.413 -2.788 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.395 -2.494 -2.785 1.00 0.00 C ATOM 1052 C HIS A 72 -7.111 -3.213 -3.188 1.00 0.00 C ATOM 1053 O HIS A 72 -6.955 -4.409 -2.941 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.227 -1.862 -1.403 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.383 -1.001 -0.995 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -10.530 -1.308 -0.345 1.00 0.00 N flip ATOM 1057 CD2 HIS A 72 -9.441 0.353 -1.252 1.00 0.00 C flip ATOM 1058 CE1 HIS A 72 -11.252 -0.147 -0.222 1.00 0.00 C flip ATOM 1059 NE2 HIS A 72 -10.572 0.841 -0.776 1.00 0.00 N flip ATOM 0 H HIS A 72 -9.482 -4.141 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.595 -1.708 -3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.095 -2.653 -0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.317 -1.262 -1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.680 0.925 -1.763 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.219 -0.056 0.251 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.870 1.815 -0.827 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.196 -2.477 -3.809 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.926 -3.045 -4.247 1.00 0.00 C ATOM 1069 C ARG A 73 -3.856 -1.964 -4.357 1.00 0.00 C ATOM 1070 O ARG A 73 -4.103 -0.881 -4.890 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.096 -3.748 -5.595 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.148 -4.920 -5.794 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.297 -5.526 -7.181 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.299 -6.562 -7.435 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.307 -7.343 -8.510 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.256 -7.205 -9.426 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.365 -8.263 -8.670 1.00 0.00 N ATOM 0 H ARG A 73 -6.310 -1.486 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.606 -3.774 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.123 -4.103 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.939 -3.025 -6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.120 -4.587 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.345 -5.682 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.295 -5.951 -7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.204 -4.741 -7.932 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.555 -6.693 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.982 -6.498 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.260 -7.806 -10.250 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.634 -8.372 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.372 -8.862 -9.496 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.665 -2.263 -3.848 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.556 -1.317 -3.889 1.00 0.00 C ATOM 1093 C LEU A 74 -0.303 -1.971 -4.461 1.00 0.00 C ATOM 1094 O LEU A 74 0.304 -2.834 -3.827 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.268 -0.778 -2.486 1.00 0.00 C ATOM 1096 CG LEU A 74 0.022 0.028 -2.328 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.131 1.407 -2.950 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.402 0.142 -0.860 1.00 0.00 C ATOM 0 H LEU A 74 -2.443 -3.153 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.841 -0.490 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.105 -0.150 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.233 -1.620 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 74 0.822 -0.496 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.797 1.966 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.356 1.304 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.944 1.940 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.322 0.719 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.398 0.644 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.554 -0.854 -0.445 1.00 0.00 H new ATOM 1110 N ILE A 75 0.080 -1.552 -5.663 1.00 0.00 N ATOM 1111 CA ILE A 75 1.263 -2.095 -6.319 1.00 0.00 C ATOM 1112 C ILE A 75 2.433 -1.121 -6.237 1.00 0.00 C ATOM 1113 O ILE A 75 2.308 0.049 -6.603 1.00 0.00 O ATOM 1114 CB ILE A 75 0.986 -2.424 -7.798 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.240 -3.331 -7.920 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.203 -3.080 -8.432 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.539 -2.573 -8.087 1.00 0.00 C ATOM 0 H ILE A 75 -0.412 -0.839 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 75 1.521 -3.014 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 75 0.781 -1.495 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.106 -3.997 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.307 -3.959 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.991 -3.306 -9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.054 -2.402 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.437 -4.003 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.365 -3.280 -8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.697 -1.927 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.492 -1.966 -8.991 1.00 0.00 H new ATOM 1129 N LEU A 76 3.571 -1.610 -5.757 1.00 0.00 N ATOM 1130 CA LEU A 76 4.766 -0.783 -5.628 1.00 0.00 C ATOM 1131 C LEU A 76 5.907 -1.341 -6.473 1.00 0.00 C ATOM 1132 O LEU A 76 6.611 -2.262 -6.055 1.00 0.00 O ATOM 1133 CB LEU A 76 5.195 -0.697 -4.163 1.00 0.00 C ATOM 1134 CG LEU A 76 4.128 -0.219 -3.178 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.441 -0.708 -1.772 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.020 1.299 -3.204 1.00 0.00 C ATOM 0 H LEU A 76 3.692 -2.575 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 76 4.527 0.217 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.537 -1.683 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.051 -0.025 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 76 3.168 -0.638 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.671 -0.358 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.467 -1.798 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.410 -0.319 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.256 1.622 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.979 1.737 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.748 1.627 -4.207 1.00 0.00 H new ATOM 1148 N HIS A 77 6.087 -0.776 -7.662 1.00 0.00 N ATOM 1149 CA HIS A 77 7.146 -1.216 -8.565 1.00 0.00 C ATOM 1150 C HIS A 77 8.494 -0.643 -8.140 1.00 0.00 C ATOM 1151 O HIS A 77 8.611 0.548 -7.850 1.00 0.00 O ATOM 1152 CB HIS A 77 6.829 -0.794 -10.000 1.00 0.00 C ATOM 1153 CG HIS A 77 5.362 -0.719 -10.292 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.460 0.261 -10.052 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.664 -1.738 -10.904 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.246 -0.179 -10.519 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.396 -1.388 -11.029 1.00 0.00 N flip ATOM 0 H HIS A 77 5.514 -0.013 -8.023 1.00 0.00 H new ATOM 0 HA HIS A 77 7.202 -2.304 -8.518 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.279 0.180 -10.191 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.293 -1.501 -10.689 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.088 -2.676 -11.230 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.319 0.374 -10.476 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.659 -1.955 -11.448 1.00 0.00 H new ATOM 1166 N ALA A 78 9.510 -1.499 -8.103 1.00 0.00 N ATOM 1167 CA ALA A 78 10.851 -1.078 -7.715 1.00 0.00 C ATOM 1168 C ALA A 78 10.943 -0.863 -6.208 1.00 0.00 C ATOM 1169 O ALA A 78 11.334 0.209 -5.746 1.00 0.00 O ATOM 1170 CB ALA A 78 11.240 0.193 -8.455 1.00 0.00 C ATOM 0 H ALA A 78 9.430 -2.489 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 78 11.547 -1.871 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.243 0.496 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.222 0.009 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.534 0.987 -8.211 1.00 0.00 H new ATOM 1176 N VAL A 79 10.581 -1.890 -5.445 1.00 0.00 N ATOM 1177 CA VAL A 79 10.623 -1.814 -3.990 1.00 0.00 C ATOM 1178 C VAL A 79 12.053 -1.939 -3.475 1.00 0.00 C ATOM 1179 O VAL A 79 12.742 -2.920 -3.754 1.00 0.00 O ATOM 1180 CB VAL A 79 9.759 -2.914 -3.345 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.281 -2.610 -3.532 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.110 -4.275 -3.925 1.00 0.00 C ATOM 0 H VAL A 79 10.255 -2.785 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 79 10.223 -0.839 -3.712 1.00 0.00 H new ATOM 0 HB VAL A 79 9.968 -2.936 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.686 -3.398 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.044 -1.655 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.052 -2.559 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.490 -5.040 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.931 -4.269 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.161 -4.492 -3.733 1.00 0.00 H new ATOM 1192 N LYS A 80 12.493 -0.937 -2.720 1.00 0.00 N ATOM 1193 CA LYS A 80 13.841 -0.934 -2.163 1.00 0.00 C ATOM 1194 C LYS A 80 13.915 -1.803 -0.912 1.00 0.00 C ATOM 1195 O LYS A 80 12.924 -1.967 -0.199 1.00 0.00 O ATOM 1196 CB LYS A 80 14.274 0.496 -1.830 1.00 0.00 C ATOM 1197 CG LYS A 80 14.403 1.392 -3.050 1.00 0.00 C ATOM 1198 CD LYS A 80 13.048 1.887 -3.525 1.00 0.00 C ATOM 1199 CE LYS A 80 13.187 2.889 -4.661 1.00 0.00 C ATOM 1200 NZ LYS A 80 13.673 2.244 -5.912 1.00 0.00 N ATOM 0 H LYS A 80 11.936 -0.117 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 80 14.517 -1.347 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.551 0.935 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.231 0.465 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.039 2.244 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.893 0.844 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.446 1.041 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.517 2.350 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.223 3.363 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.879 3.678 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.658 2.936 -6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.645 1.903 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.056 1.442 -6.152 1.00 0.00 H new ATOM 1214 N HIS A 81 15.094 -2.357 -0.650 1.00 0.00 N ATOM 1215 CA HIS A 81 15.297 -3.208 0.517 1.00 0.00 C ATOM 1216 C HIS A 81 15.302 -2.380 1.799 1.00 0.00 C ATOM 1217 O HIS A 81 14.787 -2.813 2.829 1.00 0.00 O ATOM 1218 CB HIS A 81 16.611 -3.979 0.390 1.00 0.00 C ATOM 1219 CG HIS A 81 17.024 -4.671 1.652 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.257 -5.638 2.266 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.133 -4.531 2.416 1.00 0.00 C ATOM 1222 CE1 HIS A 81 16.876 -6.063 3.354 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.017 -5.407 3.467 1.00 0.00 N ATOM 0 H HIS A 81 15.924 -2.232 -1.230 1.00 0.00 H new ATOM 0 HA HIS A 81 14.471 -3.918 0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.513 -4.718 -0.405 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.400 -3.289 0.089 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.353 -5.973 1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.956 -3.856 2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.511 -6.818 4.035 1.00 0.00 H new ATOM 1232 N GLN A 82 15.887 -1.188 1.726 1.00 0.00 N ATOM 1233 CA GLN A 82 15.959 -0.301 2.881 1.00 0.00 C ATOM 1234 C GLN A 82 14.632 -0.277 3.632 1.00 0.00 C ATOM 1235 O GLN A 82 14.594 -0.024 4.837 1.00 0.00 O ATOM 1236 CB GLN A 82 16.336 1.114 2.441 1.00 0.00 C ATOM 1237 CG GLN A 82 15.279 1.784 1.577 1.00 0.00 C ATOM 1238 CD GLN A 82 15.828 2.957 0.788 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.904 3.474 1.090 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.089 3.383 -0.230 1.00 0.00 N ATOM 0 H GLN A 82 16.317 -0.815 0.880 1.00 0.00 H new ATOM 0 HA GLN A 82 16.729 -0.682 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.512 1.726 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.275 1.076 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.861 1.051 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.462 2.128 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.203 2.925 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.407 4.169 -0.797 1.00 0.00 H new ATOM 1249 N ASP A 83 13.546 -0.540 2.914 1.00 0.00 N ATOM 1250 CA ASP A 83 12.217 -0.549 3.513 1.00 0.00 C ATOM 1251 C ASP A 83 11.740 -1.977 3.758 1.00 0.00 C ATOM 1252 O ASP A 83 10.551 -2.273 3.647 1.00 0.00 O ATOM 1253 CB ASP A 83 11.223 0.185 2.611 1.00 0.00 C ATOM 1254 CG ASP A 83 11.402 1.690 2.658 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.480 2.244 3.774 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.463 2.315 1.578 1.00 0.00 O ATOM 0 H ASP A 83 13.560 -0.750 1.916 1.00 0.00 H new ATOM 0 HA ASP A 83 12.275 -0.035 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.344 -0.161 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.207 -0.067 2.914 1.00 0.00 H new ATOM 1261 N SER A 84 12.677 -2.859 4.090 1.00 0.00 N ATOM 1262 CA SER A 84 12.354 -4.258 4.346 1.00 0.00 C ATOM 1263 C SER A 84 11.367 -4.385 5.502 1.00 0.00 C ATOM 1264 O SER A 84 11.199 -3.459 6.294 1.00 0.00 O ATOM 1265 CB SER A 84 13.627 -5.049 4.658 1.00 0.00 C ATOM 1266 OG SER A 84 14.144 -4.701 5.930 1.00 0.00 O ATOM 0 H SER A 84 13.666 -2.630 4.188 1.00 0.00 H new ATOM 0 HA SER A 84 11.891 -4.668 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.412 -6.117 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.377 -4.854 3.891 1.00 0.00 H new ATOM 0 HG SER A 84 14.956 -5.221 6.107 1.00 0.00 H new ATOM 1272 N GLY A 85 10.716 -5.541 5.592 1.00 0.00 N ATOM 1273 CA GLY A 85 9.754 -5.769 6.654 1.00 0.00 C ATOM 1274 C GLY A 85 8.885 -4.556 6.920 1.00 0.00 C ATOM 1275 O GLY A 85 8.644 -4.198 8.072 1.00 0.00 O ATOM 0 H GLY A 85 10.838 -6.323 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.120 -6.615 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.283 -6.040 7.567 1.00 0.00 H new ATOM 1279 N ALA A 86 8.416 -3.920 5.851 1.00 0.00 N ATOM 1280 CA ALA A 86 7.569 -2.740 5.975 1.00 0.00 C ATOM 1281 C ALA A 86 6.205 -3.101 6.552 1.00 0.00 C ATOM 1282 O ALA A 86 5.874 -4.278 6.701 1.00 0.00 O ATOM 1283 CB ALA A 86 7.410 -2.061 4.623 1.00 0.00 C ATOM 0 H ALA A 86 8.608 -4.202 4.890 1.00 0.00 H new ATOM 0 HA ALA A 86 8.053 -2.047 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.775 -1.181 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.389 -1.759 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.952 -2.755 3.919 1.00 0.00 H new ATOM 1289 N LEU A 87 5.417 -2.082 6.877 1.00 0.00 N ATOM 1290 CA LEU A 87 4.087 -2.292 7.439 1.00 0.00 C ATOM 1291 C LEU A 87 3.013 -1.700 6.532 1.00 0.00 C ATOM 1292 O LEU A 87 2.704 -0.511 6.612 1.00 0.00 O ATOM 1293 CB LEU A 87 3.996 -1.668 8.832 1.00 0.00 C ATOM 1294 CG LEU A 87 3.063 -2.367 9.822 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.678 -2.541 9.219 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.639 -3.713 10.236 1.00 0.00 C ATOM 0 H LEU A 87 5.676 -1.102 6.761 1.00 0.00 H new ATOM 0 HA LEU A 87 3.918 -3.366 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.997 -1.643 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.669 -0.634 8.724 1.00 0.00 H new ATOM 0 HG LEU A 87 2.973 -1.743 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.028 -3.040 9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.263 -1.564 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.748 -3.144 8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.963 -4.197 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.758 -4.344 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.610 -3.563 10.709 1.00 0.00 H new ATOM 1308 N VAL A 88 2.444 -2.538 5.671 1.00 0.00 N ATOM 1309 CA VAL A 88 1.401 -2.098 4.751 1.00 0.00 C ATOM 1310 C VAL A 88 0.015 -2.431 5.292 1.00 0.00 C ATOM 1311 O VAL A 88 -0.335 -3.600 5.453 1.00 0.00 O ATOM 1312 CB VAL A 88 1.568 -2.745 3.364 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.529 -2.204 2.394 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.975 -2.514 2.834 1.00 0.00 C ATOM 0 H VAL A 88 2.688 -3.525 5.591 1.00 0.00 H new ATOM 0 HA VAL A 88 1.499 -1.017 4.654 1.00 0.00 H new ATOM 0 HB VAL A 88 1.414 -3.819 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.663 -2.673 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.470 -2.426 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.649 -1.125 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.075 -2.978 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.161 -1.443 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.699 -2.955 3.519 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.770 -1.395 5.571 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.110 -1.598 6.090 1.00 0.00 C ATOM 1326 C GLY A 89 -3.098 -0.579 5.560 1.00 0.00 C ATOM 1327 O GLY A 89 -2.741 0.573 5.314 1.00 0.00 O ATOM 0 H GLY A 89 -0.502 -0.419 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.450 -2.600 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.087 -1.545 7.178 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.345 -1.003 5.381 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.388 -0.119 4.873 1.00 0.00 C ATOM 1333 C PHE A 90 -6.372 0.251 5.979 1.00 0.00 C ATOM 1334 O PHE A 90 -7.181 -0.573 6.405 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.131 -0.786 3.715 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.464 -0.160 3.418 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.544 1.024 2.703 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.637 -0.756 3.854 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.769 1.602 2.430 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.865 -0.183 3.583 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.931 0.998 2.869 1.00 0.00 C ATOM 0 H PHE A 90 -4.658 -1.953 5.580 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.914 0.794 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.510 -0.740 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.278 -1.841 3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.639 1.500 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.591 -1.679 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.818 2.526 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.771 -0.658 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.889 1.448 2.655 1.00 0.00 H new ATOM 1351 N SER A 91 -6.296 1.496 6.438 1.00 0.00 N ATOM 1352 CA SER A 91 -7.177 1.975 7.497 1.00 0.00 C ATOM 1353 C SER A 91 -8.447 2.587 6.912 1.00 0.00 C ATOM 1354 O SER A 91 -8.387 3.422 6.009 1.00 0.00 O ATOM 1355 CB SER A 91 -6.453 3.007 8.364 1.00 0.00 C ATOM 1356 OG SER A 91 -5.963 4.079 7.578 1.00 0.00 O ATOM 0 H SER A 91 -5.634 2.191 6.093 1.00 0.00 H new ATOM 0 HA SER A 91 -7.457 1.123 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.134 3.391 9.124 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.626 2.529 8.889 1.00 0.00 H new ATOM 0 HG SER A 91 -4.994 3.986 7.465 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.593 2.165 7.433 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.878 2.670 6.962 1.00 0.00 C ATOM 1364 C CYS A 92 -11.891 2.722 8.101 1.00 0.00 C ATOM 1365 O CYS A 92 -11.773 2.017 9.103 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.412 1.791 5.830 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.511 0.465 6.379 1.00 0.00 S ATOM 0 H CYS A 92 -9.659 1.475 8.181 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.727 3.682 6.586 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.947 2.420 5.118 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.569 1.352 5.297 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.911 -0.221 5.350 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.911 3.580 7.947 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.965 3.746 8.953 1.00 0.00 C ATOM 1375 C PRO A 93 -14.875 2.527 9.046 1.00 0.00 C ATOM 1376 O PRO A 93 -15.982 2.524 8.509 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.747 4.961 8.449 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.508 4.983 6.979 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.115 4.452 6.778 1.00 0.00 C ATOM 0 HA PRO A 93 -13.556 3.871 9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.809 4.870 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.398 5.880 8.920 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.240 4.368 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.601 5.994 6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.027 3.898 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.380 5.256 6.743 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.402 1.491 9.733 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.187 0.280 9.884 1.00 0.00 C ATOM 1389 C GLY A 94 -14.329 -0.970 9.891 1.00 0.00 C ATOM 1390 O GLY A 94 -14.781 -2.039 10.301 1.00 0.00 O ATOM 0 H GLY A 94 -13.489 1.469 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.755 0.332 10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.910 0.216 9.071 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.088 -0.837 9.433 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.165 -1.964 9.387 1.00 0.00 C ATOM 1396 C VAL A 95 -10.739 -1.520 9.691 1.00 0.00 C ATOM 1397 O VAL A 95 -10.341 -0.406 9.351 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.194 -2.658 8.012 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.087 -3.697 7.915 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.554 -3.291 7.764 1.00 0.00 C ATOM 0 H VAL A 95 -12.699 0.041 9.089 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.492 -2.671 10.149 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.023 -1.907 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.123 -4.177 6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.120 -3.211 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.224 -4.448 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.557 -3.777 6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.758 -4.031 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.324 -2.520 7.788 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.975 -2.398 10.332 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.592 -2.095 10.682 1.00 0.00 C ATOM 1412 C GLN A 96 -7.719 -3.341 10.577 1.00 0.00 C ATOM 1413 O GLN A 96 -7.851 -4.273 11.371 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.516 -1.522 12.098 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.393 -0.298 12.307 1.00 0.00 C ATOM 1416 CD GLN A 96 -10.789 -0.655 12.780 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -11.738 -0.668 11.996 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -10.920 -0.947 14.069 1.00 0.00 N ATOM 0 H GLN A 96 -10.290 -3.325 10.620 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.219 -1.352 9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.809 -2.294 12.810 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.482 -1.260 12.320 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.923 0.361 13.037 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.461 0.259 11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.106 -0.924 14.683 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.835 -1.195 14.445 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.827 -3.351 9.592 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.931 -4.483 9.384 1.00 0.00 C ATOM 1429 C ASP A 97 -4.610 -4.025 8.775 1.00 0.00 C ATOM 1430 O ASP A 97 -4.523 -2.939 8.200 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.591 -5.524 8.478 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.920 -6.880 8.570 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.528 -7.274 9.689 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.789 -7.548 7.524 1.00 0.00 O ATOM 0 H ASP A 97 -6.705 -2.589 8.926 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.726 -4.935 10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.642 -5.623 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.559 -5.175 7.446 1.00 0.00 H new ATOM 1439 N SER A 98 -3.583 -4.859 8.905 1.00 0.00 N ATOM 1440 CA SER A 98 -2.265 -4.537 8.371 1.00 0.00 C ATOM 1441 C SER A 98 -1.456 -5.807 8.120 1.00 0.00 C ATOM 1442 O SER A 98 -1.682 -6.836 8.756 1.00 0.00 O ATOM 1443 CB SER A 98 -1.510 -3.621 9.337 1.00 0.00 C ATOM 1444 OG SER A 98 -1.181 -4.303 10.534 1.00 0.00 O ATOM 0 H SER A 98 -3.638 -5.762 9.375 1.00 0.00 H new ATOM 0 HA SER A 98 -2.401 -4.019 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.600 -3.256 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.121 -2.748 9.568 1.00 0.00 H new ATOM 0 HG SER A 98 -0.698 -3.697 11.134 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.513 -5.725 7.187 1.00 0.00 N ATOM 1451 CA ALA A 99 0.331 -6.865 6.852 1.00 0.00 C ATOM 1452 C ALA A 99 1.809 -6.500 6.946 1.00 0.00 C ATOM 1453 O ALA A 99 2.159 -5.370 7.285 1.00 0.00 O ATOM 1454 CB ALA A 99 -0.001 -7.375 5.457 1.00 0.00 C ATOM 0 H ALA A 99 -0.315 -4.881 6.650 1.00 0.00 H new ATOM 0 HA ALA A 99 0.133 -7.657 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.637 -8.226 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.046 -7.683 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.168 -6.581 4.730 1.00 0.00 H new ATOM 1460 N ALA A 100 2.671 -7.465 6.644 1.00 0.00 N ATOM 1461 CA ALA A 100 4.112 -7.245 6.693 1.00 0.00 C ATOM 1462 C ALA A 100 4.735 -7.377 5.308 1.00 0.00 C ATOM 1463 O ALA A 100 4.442 -8.321 4.572 1.00 0.00 O ATOM 1464 CB ALA A 100 4.762 -8.221 7.662 1.00 0.00 C ATOM 0 H ALA A 100 2.397 -8.406 6.363 1.00 0.00 H new ATOM 0 HA ALA A 100 4.288 -6.229 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.837 -8.045 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.346 -8.076 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.569 -9.242 7.334 1.00 0.00 H new ATOM 1470 N LEU A 101 5.594 -6.427 4.958 1.00 0.00 N ATOM 1471 CA LEU A 101 6.259 -6.437 3.659 1.00 0.00 C ATOM 1472 C LEU A 101 7.738 -6.780 3.807 1.00 0.00 C ATOM 1473 O LEU A 101 8.522 -5.985 4.328 1.00 0.00 O ATOM 1474 CB LEU A 101 6.105 -5.078 2.974 1.00 0.00 C ATOM 1475 CG LEU A 101 6.945 -4.861 1.715 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.481 -5.783 0.599 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.877 -3.407 1.272 1.00 0.00 C ATOM 0 H LEU A 101 5.847 -5.640 5.555 1.00 0.00 H new ATOM 0 HA LEU A 101 5.787 -7.203 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.055 -4.942 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.359 -4.300 3.694 1.00 0.00 H new ATOM 0 HG LEU A 101 7.983 -5.100 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.090 -5.615 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.583 -6.820 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.436 -5.576 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.481 -3.271 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.842 -3.140 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.259 -2.766 2.067 1.00 0.00 H new ATOM 1489 N THR A 102 8.115 -7.967 3.344 1.00 0.00 N ATOM 1490 CA THR A 102 9.499 -8.415 3.423 1.00 0.00 C ATOM 1491 C THR A 102 10.235 -8.162 2.113 1.00 0.00 C ATOM 1492 O THR A 102 9.665 -8.308 1.031 1.00 0.00 O ATOM 1493 CB THR A 102 9.586 -9.914 3.767 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.031 -10.153 5.065 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.029 -10.395 3.731 1.00 0.00 C ATOM 0 H THR A 102 7.480 -8.636 2.910 1.00 0.00 H new ATOM 0 HA THR A 102 9.972 -7.839 4.219 1.00 0.00 H new ATOM 0 HB THR A 102 9.016 -10.468 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.089 -11.109 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.065 -11.456 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.439 -10.240 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.618 -9.834 4.457 1.00 0.00 H new ATOM 1503 N ILE A 103 11.505 -7.783 2.216 1.00 0.00 N ATOM 1504 CA ILE A 103 12.319 -7.511 1.038 1.00 0.00 C ATOM 1505 C ILE A 103 13.747 -8.008 1.230 1.00 0.00 C ATOM 1506 O ILE A 103 14.478 -7.510 2.086 1.00 0.00 O ATOM 1507 CB ILE A 103 12.350 -6.007 0.709 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.927 -5.448 0.639 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.085 -5.766 -0.601 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.871 -3.937 0.636 1.00 0.00 C ATOM 0 H ILE A 103 11.992 -7.657 3.103 1.00 0.00 H new ATOM 0 HA ILE A 103 11.859 -8.046 0.207 1.00 0.00 H new ATOM 0 HB ILE A 103 12.885 -5.488 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.442 -5.823 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.356 -5.823 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.098 -4.698 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.108 -6.132 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.576 -6.295 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.832 -3.612 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.327 -3.554 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.414 -3.554 -0.228 1.00 0.00 H new ATOM 1522 N GLN A 104 14.139 -8.992 0.427 1.00 0.00 N ATOM 1523 CA GLN A 104 15.482 -9.555 0.509 1.00 0.00 C ATOM 1524 C GLN A 104 16.432 -8.837 -0.443 1.00 0.00 C ATOM 1525 O GLN A 104 16.180 -8.759 -1.645 1.00 0.00 O ATOM 1526 CB GLN A 104 15.451 -11.050 0.185 1.00 0.00 C ATOM 1527 CG GLN A 104 14.550 -11.854 1.109 1.00 0.00 C ATOM 1528 CD GLN A 104 15.065 -11.897 2.534 1.00 0.00 C ATOM 1529 OE1 GLN A 104 14.205 -11.553 3.486 1.00 0.00 O flip ATOM 1530 NE2 GLN A 104 16.223 -12.237 2.778 1.00 0.00 N flip ATOM 0 H GLN A 104 13.547 -9.416 -0.287 1.00 0.00 H new ATOM 0 HA GLN A 104 15.845 -9.418 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.115 -11.184 -0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.464 -11.447 0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.549 -11.422 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.461 -12.871 0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 104 16.851 -12.493 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.555 -12.262 3.742 1.00 0.00 H new ATOM 1539 N GLU A 105 17.525 -8.313 0.103 1.00 0.00 N ATOM 1540 CA GLU A 105 18.512 -7.600 -0.699 1.00 0.00 C ATOM 1541 C GLU A 105 19.207 -8.546 -1.674 1.00 0.00 C ATOM 1542 O GLU A 105 19.916 -9.465 -1.265 1.00 0.00 O ATOM 1543 CB GLU A 105 19.549 -6.930 0.206 1.00 0.00 C ATOM 1544 CG GLU A 105 20.160 -7.870 1.232 1.00 0.00 C ATOM 1545 CD GLU A 105 21.225 -7.199 2.077 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.149 -6.594 1.495 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.134 -7.278 3.320 1.00 0.00 O ATOM 0 H GLU A 105 17.749 -8.369 1.097 1.00 0.00 H new ATOM 0 HA GLU A 105 17.991 -6.833 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.344 -6.515 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.080 -6.094 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.373 -8.253 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.595 -8.728 0.719 1.00 0.00 H new ATOM 1554 N SER A 106 18.998 -8.313 -2.965 1.00 0.00 N ATOM 1555 CA SER A 106 19.601 -9.146 -4.000 1.00 0.00 C ATOM 1556 C SER A 106 21.120 -9.161 -3.868 1.00 0.00 C ATOM 1557 O SER A 106 21.719 -8.221 -3.344 1.00 0.00 O ATOM 1558 CB SER A 106 19.202 -8.640 -5.388 1.00 0.00 C ATOM 1559 OG SER A 106 19.734 -9.471 -6.405 1.00 0.00 O ATOM 0 H SER A 106 18.416 -7.555 -3.320 1.00 0.00 H new ATOM 0 HA SER A 106 19.233 -10.164 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 106 18.115 -8.610 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 106 19.560 -7.619 -5.523 1.00 0.00 H new ATOM 0 HG SER A 106 19.464 -9.128 -7.282 1.00 0.00 H new ATOM 1565 N SER A 107 21.739 -10.235 -4.348 1.00 0.00 N ATOM 1566 CA SER A 107 23.189 -10.376 -4.281 1.00 0.00 C ATOM 1567 C SER A 107 23.843 -9.877 -5.566 1.00 0.00 C ATOM 1568 O SER A 107 23.264 -9.971 -6.648 1.00 0.00 O ATOM 1569 CB SER A 107 23.570 -11.837 -4.037 1.00 0.00 C ATOM 1570 OG SER A 107 23.644 -12.120 -2.650 1.00 0.00 O ATOM 0 H SER A 107 21.259 -11.020 -4.788 1.00 0.00 H new ATOM 0 HA SER A 107 23.550 -9.770 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.835 -12.491 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 107 24.531 -12.049 -4.506 1.00 0.00 H new ATOM 0 HG SER A 107 23.887 -13.060 -2.521 1.00 0.00 H new ATOM 1576 N GLY A 108 25.054 -9.344 -5.438 1.00 0.00 N ATOM 1577 CA GLY A 108 25.768 -8.837 -6.595 1.00 0.00 C ATOM 1578 C GLY A 108 27.067 -8.152 -6.221 1.00 0.00 C ATOM 1579 O GLY A 108 27.402 -8.008 -5.045 1.00 0.00 O ATOM 0 H GLY A 108 25.554 -9.254 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.979 -9.660 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.131 -8.133 -7.131 1.00 0.00 H new ATOM 1583 N PRO A 109 27.826 -7.716 -7.238 1.00 0.00 N ATOM 1584 CA PRO A 109 29.108 -7.037 -7.035 1.00 0.00 C ATOM 1585 C PRO A 109 28.938 -5.644 -6.437 1.00 0.00 C ATOM 1586 O PRO A 109 28.084 -4.872 -6.872 1.00 0.00 O ATOM 1587 CB PRO A 109 29.689 -6.944 -8.448 1.00 0.00 C ATOM 1588 CG PRO A 109 28.502 -6.977 -9.348 1.00 0.00 C ATOM 1589 CD PRO A 109 27.489 -7.854 -8.665 1.00 0.00 C ATOM 0 HA PRO A 109 29.745 -7.573 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 109 30.261 -6.026 -8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 109 30.365 -7.774 -8.654 1.00 0.00 H new ATOM 0 HG2 PRO A 109 28.106 -5.974 -9.508 1.00 0.00 H new ATOM 0 HG3 PRO A 109 28.766 -7.375 -10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 109 26.470 -7.526 -8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 109 27.564 -8.889 -8.998 1.00 0.00 H new ATOM 1597 N SER A 110 29.756 -5.330 -5.438 1.00 0.00 N ATOM 1598 CA SER A 110 29.694 -4.031 -4.778 1.00 0.00 C ATOM 1599 C SER A 110 29.672 -2.901 -5.803 1.00 0.00 C ATOM 1600 O SER A 110 28.791 -2.042 -5.777 1.00 0.00 O ATOM 1601 CB SER A 110 30.886 -3.856 -3.835 1.00 0.00 C ATOM 1602 OG SER A 110 30.557 -3.006 -2.750 1.00 0.00 O ATOM 0 H SER A 110 30.470 -5.957 -5.068 1.00 0.00 H new ATOM 0 HA SER A 110 28.772 -3.990 -4.198 1.00 0.00 H new ATOM 0 HB2 SER A 110 31.200 -4.829 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 110 31.730 -3.440 -4.384 1.00 0.00 H new ATOM 0 HG SER A 110 31.335 -2.912 -2.161 1.00 0.00 H new ATOM 1608 N SER A 111 30.648 -2.911 -6.705 1.00 0.00 N ATOM 1609 CA SER A 111 30.744 -1.885 -7.738 1.00 0.00 C ATOM 1610 C SER A 111 30.373 -2.454 -9.104 1.00 0.00 C ATOM 1611 O SER A 111 31.175 -3.131 -9.745 1.00 0.00 O ATOM 1612 CB SER A 111 32.159 -1.306 -7.781 1.00 0.00 C ATOM 1613 OG SER A 111 32.173 -0.040 -8.418 1.00 0.00 O ATOM 0 H SER A 111 31.383 -3.617 -6.742 1.00 0.00 H new ATOM 0 HA SER A 111 30.041 -1.089 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 111 32.547 -1.211 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 111 32.820 -1.991 -8.312 1.00 0.00 H new ATOM 0 HG SER A 111 33.088 0.309 -8.431 1.00 0.00 H new ATOM 1619 N GLY A 112 29.150 -2.172 -9.543 1.00 0.00 N ATOM 1620 CA GLY A 112 28.693 -2.663 -10.830 1.00 0.00 C ATOM 1621 C GLY A 112 27.697 -3.797 -10.698 1.00 0.00 C ATOM 1622 O GLY A 112 26.849 -3.993 -11.568 1.00 0.00 O ATOM 0 H GLY A 112 28.468 -1.613 -9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 112 28.235 -1.845 -11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 112 29.550 -3.003 -11.411 1.00 0.00 H new TER 1626 GLY A 112