USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 748 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.759 X(o=-0.76,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.773 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 23:sc= 0.0223 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.16) USER MOD Single : A 46 ASN : amide:sc= 0.0752 K(o=0.075,f=-5.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.21! C(o=-2.2!,f=-3.6!) USER MOD Single : A 62 MET CE :methyl -130:sc= -4.47! (180deg=-10.7!) USER MOD Single : A 69 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.4) USER MOD Single : A 73 GLN : amide:sc= -3.04 K(o=-3,f=-16!) USER MOD Single : A 75 SER OG : rot -100:sc= -2.64! USER MOD Single : A 78 TYR OH : rot -2:sc= 0.051 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 101:sc= 1.97 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.21 F(o=-0.83,f=-0.21) USER MOD Single : A 87 THR OG1 : rot -130:sc=-0.00545 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 37:sc= 0.826 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.085 -3.492 0.509 1.00 0.00 N ATOM 2 CA GLY A 1 36.962 -4.856 0.027 1.00 0.00 C ATOM 3 C GLY A 1 36.675 -5.841 1.142 1.00 0.00 C ATOM 4 O GLY A 1 37.554 -6.156 1.943 1.00 0.00 O ATOM 0 H1 GLY A 1 37.281 -2.857 -0.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.198 -3.205 0.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.865 -3.435 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.163 -4.906 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.883 -5.144 -0.479 1.00 0.00 H new ATOM 8 N SER A 2 35.439 -6.329 1.195 1.00 0.00 N ATOM 9 CA SER A 2 35.037 -7.281 2.224 1.00 0.00 C ATOM 10 C SER A 2 34.167 -8.386 1.631 1.00 0.00 C ATOM 11 O SER A 2 33.193 -8.115 0.930 1.00 0.00 O ATOM 12 CB SER A 2 34.279 -6.564 3.343 1.00 0.00 C ATOM 13 OG SER A 2 35.172 -6.037 4.308 1.00 0.00 O ATOM 0 H SER A 2 34.700 -6.081 0.538 1.00 0.00 H new ATOM 0 HA SER A 2 35.938 -7.734 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.678 -5.758 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.589 -7.259 3.822 1.00 0.00 H new ATOM 0 HG SER A 2 34.663 -5.582 5.011 1.00 0.00 H new ATOM 19 N SER A 3 34.527 -9.632 1.920 1.00 0.00 N ATOM 20 CA SER A 3 33.783 -10.779 1.413 1.00 0.00 C ATOM 21 C SER A 3 32.279 -10.544 1.526 1.00 0.00 C ATOM 22 O SER A 3 31.536 -10.737 0.565 1.00 0.00 O ATOM 23 CB SER A 3 34.171 -12.045 2.180 1.00 0.00 C ATOM 24 OG SER A 3 33.607 -13.198 1.579 1.00 0.00 O ATOM 0 H SER A 3 35.329 -9.873 2.502 1.00 0.00 H new ATOM 0 HA SER A 3 34.036 -10.908 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.257 -12.139 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.832 -11.967 3.213 1.00 0.00 H new ATOM 0 HG SER A 3 33.871 -13.994 2.087 1.00 0.00 H new ATOM 30 N GLY A 4 31.839 -10.126 2.708 1.00 0.00 N ATOM 31 CA GLY A 4 30.427 -9.871 2.926 1.00 0.00 C ATOM 32 C GLY A 4 30.039 -8.442 2.601 1.00 0.00 C ATOM 33 O GLY A 4 29.857 -7.621 3.500 1.00 0.00 O ATOM 0 H GLY A 4 32.435 -9.959 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.839 -10.553 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.179 -10.084 3.966 1.00 0.00 H new ATOM 37 N SER A 5 29.912 -8.144 1.312 1.00 0.00 N ATOM 38 CA SER A 5 29.549 -6.802 0.871 1.00 0.00 C ATOM 39 C SER A 5 28.113 -6.771 0.354 1.00 0.00 C ATOM 40 O SER A 5 27.300 -5.959 0.796 1.00 0.00 O ATOM 41 CB SER A 5 30.507 -6.325 -0.223 1.00 0.00 C ATOM 42 OG SER A 5 30.602 -4.911 -0.236 1.00 0.00 O ATOM 0 H SER A 5 30.055 -8.813 0.555 1.00 0.00 H new ATOM 0 HA SER A 5 29.624 -6.132 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.494 -6.758 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.160 -6.678 -1.194 1.00 0.00 H new ATOM 0 HG SER A 5 31.221 -4.631 -0.942 1.00 0.00 H new ATOM 48 N SER A 6 27.809 -7.662 -0.585 1.00 0.00 N ATOM 49 CA SER A 6 26.474 -7.735 -1.165 1.00 0.00 C ATOM 50 C SER A 6 25.460 -8.226 -0.136 1.00 0.00 C ATOM 51 O SER A 6 25.746 -9.124 0.654 1.00 0.00 O ATOM 52 CB SER A 6 26.473 -8.663 -2.381 1.00 0.00 C ATOM 53 OG SER A 6 26.591 -10.020 -1.987 1.00 0.00 O ATOM 0 H SER A 6 28.470 -8.343 -0.960 1.00 0.00 H new ATOM 0 HA SER A 6 26.188 -6.732 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.552 -8.524 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.298 -8.400 -3.044 1.00 0.00 H new ATOM 0 HG SER A 6 26.586 -10.593 -2.782 1.00 0.00 H new ATOM 59 N GLY A 7 24.272 -7.628 -0.153 1.00 0.00 N ATOM 60 CA GLY A 7 23.233 -8.017 0.783 1.00 0.00 C ATOM 61 C GLY A 7 21.889 -7.403 0.444 1.00 0.00 C ATOM 62 O GLY A 7 21.803 -6.280 -0.053 1.00 0.00 O ATOM 0 H GLY A 7 24.011 -6.882 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.142 -9.103 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.523 -7.716 1.789 1.00 0.00 H new ATOM 66 N PRO A 8 20.808 -8.150 0.715 1.00 0.00 N ATOM 67 CA PRO A 8 19.442 -7.693 0.443 1.00 0.00 C ATOM 68 C PRO A 8 19.014 -6.561 1.371 1.00 0.00 C ATOM 69 O PRO A 8 19.745 -6.186 2.288 1.00 0.00 O ATOM 70 CB PRO A 8 18.594 -8.942 0.695 1.00 0.00 C ATOM 71 CG PRO A 8 19.395 -9.758 1.649 1.00 0.00 C ATOM 72 CD PRO A 8 20.837 -9.497 1.308 1.00 0.00 C ATOM 0 HA PRO A 8 19.340 -7.288 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.622 -8.682 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.406 -9.486 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.180 -9.476 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.157 -10.817 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.472 -9.533 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.225 -10.236 0.607 1.00 0.00 H new ATOM 80 N VAL A 9 17.824 -6.021 1.127 1.00 0.00 N ATOM 81 CA VAL A 9 17.298 -4.932 1.942 1.00 0.00 C ATOM 82 C VAL A 9 16.210 -5.430 2.887 1.00 0.00 C ATOM 83 O VAL A 9 15.352 -6.223 2.499 1.00 0.00 O ATOM 84 CB VAL A 9 16.724 -3.802 1.067 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.134 -2.702 1.935 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.798 -3.247 0.144 1.00 0.00 C ATOM 0 H VAL A 9 17.206 -6.320 0.372 1.00 0.00 H new ATOM 0 HA VAL A 9 18.132 -4.542 2.525 1.00 0.00 H new ATOM 0 HB VAL A 9 15.924 -4.213 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.733 -1.912 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.334 -3.114 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.911 -2.290 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.376 -2.449 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.620 -2.851 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.169 -4.042 -0.503 1.00 0.00 H new ATOM 96 N ARG A 10 16.252 -4.959 4.129 1.00 0.00 N ATOM 97 CA ARG A 10 15.270 -5.357 5.131 1.00 0.00 C ATOM 98 C ARG A 10 14.264 -4.237 5.381 1.00 0.00 C ATOM 99 O ARG A 10 14.589 -3.057 5.252 1.00 0.00 O ATOM 100 CB ARG A 10 15.968 -5.733 6.439 1.00 0.00 C ATOM 101 CG ARG A 10 16.515 -7.150 6.453 1.00 0.00 C ATOM 102 CD ARG A 10 17.604 -7.317 7.502 1.00 0.00 C ATOM 103 NE ARG A 10 18.156 -8.669 7.508 1.00 0.00 N ATOM 104 CZ ARG A 10 17.582 -9.695 8.128 1.00 0.00 C ATOM 105 NH1 ARG A 10 16.446 -9.522 8.789 1.00 0.00 N ATOM 106 NH2 ARG A 10 18.146 -10.895 8.088 1.00 0.00 N ATOM 0 H ARG A 10 16.955 -4.301 4.466 1.00 0.00 H new ATOM 0 HA ARG A 10 14.733 -6.226 4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.786 -5.035 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.264 -5.616 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.705 -7.852 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.915 -7.396 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.403 -6.600 7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.197 -7.087 8.487 1.00 0.00 H new ATOM 0 HE ARG A 10 19.030 -8.835 7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.011 -8.600 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.007 -10.311 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.021 -11.031 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.705 -11.682 8.564 1.00 0.00 H new ATOM 120 N PHE A 11 13.042 -4.616 5.740 1.00 0.00 N ATOM 121 CA PHE A 11 11.988 -3.644 6.007 1.00 0.00 C ATOM 122 C PHE A 11 12.206 -2.962 7.355 1.00 0.00 C ATOM 123 O PHE A 11 11.968 -3.555 8.407 1.00 0.00 O ATOM 124 CB PHE A 11 10.618 -4.326 5.983 1.00 0.00 C ATOM 125 CG PHE A 11 9.962 -4.306 4.632 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.419 -3.135 4.129 1.00 0.00 C ATOM 127 CD2 PHE A 11 9.889 -5.458 3.866 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.814 -3.114 2.886 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.286 -5.443 2.622 1.00 0.00 C ATOM 130 CZ PHE A 11 8.748 -4.269 2.132 1.00 0.00 C ATOM 0 H PHE A 11 12.757 -5.589 5.853 1.00 0.00 H new ATOM 0 HA PHE A 11 12.022 -2.885 5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.730 -5.360 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.964 -3.835 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.469 -2.229 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.308 -6.378 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.393 -2.195 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.236 -6.348 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.276 -4.254 1.161 1.00 0.00 H new ATOM 140 N GLN A 12 12.661 -1.714 7.313 1.00 0.00 N ATOM 141 CA GLN A 12 12.912 -0.952 8.530 1.00 0.00 C ATOM 142 C GLN A 12 11.630 -0.302 9.040 1.00 0.00 C ATOM 143 O GLN A 12 11.409 -0.207 10.246 1.00 0.00 O ATOM 144 CB GLN A 12 13.975 0.119 8.276 1.00 0.00 C ATOM 145 CG GLN A 12 13.597 1.104 7.182 1.00 0.00 C ATOM 146 CD GLN A 12 14.183 2.483 7.411 1.00 0.00 C ATOM 147 OE1 GLN A 12 13.485 3.404 7.836 1.00 0.00 O ATOM 148 NE2 GLN A 12 15.472 2.633 7.130 1.00 0.00 N ATOM 0 H GLN A 12 12.863 -1.210 6.450 1.00 0.00 H new ATOM 0 HA GLN A 12 13.276 -1.642 9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.155 0.667 9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.912 -0.368 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.940 0.723 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.511 1.180 7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.013 1.842 6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.921 3.539 7.264 1.00 0.00 H new ATOM 157 N GLU A 13 10.790 0.145 8.112 1.00 0.00 N ATOM 158 CA GLU A 13 9.530 0.788 8.468 1.00 0.00 C ATOM 159 C GLU A 13 8.386 0.256 7.610 1.00 0.00 C ATOM 160 O GLU A 13 7.630 1.026 7.018 1.00 0.00 O ATOM 161 CB GLU A 13 9.642 2.305 8.306 1.00 0.00 C ATOM 162 CG GLU A 13 10.515 2.968 9.358 1.00 0.00 C ATOM 163 CD GLU A 13 9.810 3.114 10.693 1.00 0.00 C ATOM 164 OE1 GLU A 13 9.057 2.192 11.071 1.00 0.00 O ATOM 165 OE2 GLU A 13 10.011 4.151 11.359 1.00 0.00 O ATOM 0 H GLU A 13 10.959 0.074 7.109 1.00 0.00 H new ATOM 0 HA GLU A 13 9.316 0.557 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.046 2.527 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.644 2.741 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.424 2.381 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.821 3.952 9.003 1.00 0.00 H new ATOM 172 N ALA A 14 8.266 -1.066 7.548 1.00 0.00 N ATOM 173 CA ALA A 14 7.214 -1.701 6.764 1.00 0.00 C ATOM 174 C ALA A 14 5.868 -1.025 7.001 1.00 0.00 C ATOM 175 O ALA A 14 5.708 -0.251 7.946 1.00 0.00 O ATOM 176 CB ALA A 14 7.128 -3.183 7.098 1.00 0.00 C ATOM 0 H ALA A 14 8.884 -1.718 8.031 1.00 0.00 H new ATOM 0 HA ALA A 14 7.465 -1.591 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.338 -3.644 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.080 -3.663 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.904 -3.305 8.158 1.00 0.00 H new ATOM 182 N LEU A 15 4.902 -1.321 6.138 1.00 0.00 N ATOM 183 CA LEU A 15 3.569 -0.741 6.254 1.00 0.00 C ATOM 184 C LEU A 15 2.989 -0.982 7.644 1.00 0.00 C ATOM 185 O LEU A 15 3.578 -1.690 8.461 1.00 0.00 O ATOM 186 CB LEU A 15 2.640 -1.332 5.192 1.00 0.00 C ATOM 187 CG LEU A 15 3.150 -1.283 3.752 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.556 -2.420 2.935 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.823 0.061 3.116 1.00 0.00 C ATOM 0 H LEU A 15 5.017 -1.959 5.351 1.00 0.00 H new ATOM 0 HA LEU A 15 3.653 0.334 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.441 -2.372 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.687 -0.804 5.237 1.00 0.00 H new ATOM 0 HG LEU A 15 4.233 -1.402 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.931 -2.368 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.841 -3.374 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.469 -2.334 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.193 0.078 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.743 0.210 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.298 0.859 3.687 1.00 0.00 H new ATOM 201 N LYS A 16 1.829 -0.389 7.906 1.00 0.00 N ATOM 202 CA LYS A 16 1.166 -0.541 9.196 1.00 0.00 C ATOM 203 C LYS A 16 -0.340 -0.335 9.062 1.00 0.00 C ATOM 204 O LYS A 16 -0.791 0.610 8.413 1.00 0.00 O ATOM 205 CB LYS A 16 1.739 0.454 10.208 1.00 0.00 C ATOM 206 CG LYS A 16 3.216 0.247 10.494 1.00 0.00 C ATOM 207 CD LYS A 16 3.626 0.894 11.806 1.00 0.00 C ATOM 208 CE LYS A 16 3.935 2.373 11.626 1.00 0.00 C ATOM 209 NZ LYS A 16 3.918 3.105 12.923 1.00 0.00 N ATOM 0 H LYS A 16 1.328 0.202 7.242 1.00 0.00 H new ATOM 0 HA LYS A 16 1.346 -1.556 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.588 1.467 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.182 0.372 11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.434 -0.820 10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.807 0.666 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.826 0.775 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.502 0.384 12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.913 2.485 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.205 2.817 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.133 4.109 12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.977 3.019 13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.632 2.698 13.560 1.00 0.00 H new ATOM 223 N ASP A 17 -1.111 -1.222 9.679 1.00 0.00 N ATOM 224 CA ASP A 17 -2.566 -1.136 9.631 1.00 0.00 C ATOM 225 C ASP A 17 -3.029 0.313 9.752 1.00 0.00 C ATOM 226 O ASP A 17 -2.764 0.979 10.753 1.00 0.00 O ATOM 227 CB ASP A 17 -3.186 -1.977 10.747 1.00 0.00 C ATOM 228 CG ASP A 17 -3.089 -1.303 12.102 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.991 -1.321 12.696 1.00 0.00 O ATOM 230 OD2 ASP A 17 -4.111 -0.757 12.567 1.00 0.00 O ATOM 0 H ASP A 17 -0.753 -2.010 10.219 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.896 -1.525 8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.233 -2.169 10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.686 -2.945 10.789 1.00 0.00 H new ATOM 235 N LEU A 18 -3.721 0.795 8.725 1.00 0.00 N ATOM 236 CA LEU A 18 -4.220 2.166 8.716 1.00 0.00 C ATOM 237 C LEU A 18 -5.739 2.193 8.845 1.00 0.00 C ATOM 238 O LEU A 18 -6.406 1.177 8.654 1.00 0.00 O ATOM 239 CB LEU A 18 -3.793 2.876 7.430 1.00 0.00 C ATOM 240 CG LEU A 18 -2.309 2.784 7.073 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.022 1.501 6.309 1.00 0.00 C ATOM 242 CD2 LEU A 18 -1.879 3.998 6.262 1.00 0.00 C ATOM 0 H LEU A 18 -3.949 0.257 7.889 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.792 2.688 9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.371 2.465 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.061 3.929 7.514 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.733 2.768 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.961 1.453 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.291 0.643 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.608 1.486 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.820 3.915 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.462 4.046 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.047 4.903 6.845 1.00 0.00 H new ATOM 254 N GLU A 19 -6.280 3.364 9.168 1.00 0.00 N ATOM 255 CA GLU A 19 -7.721 3.523 9.321 1.00 0.00 C ATOM 256 C GLU A 19 -8.232 4.692 8.484 1.00 0.00 C ATOM 257 O GLU A 19 -7.777 5.826 8.639 1.00 0.00 O ATOM 258 CB GLU A 19 -8.080 3.739 10.792 1.00 0.00 C ATOM 259 CG GLU A 19 -9.559 3.995 11.027 1.00 0.00 C ATOM 260 CD GLU A 19 -9.911 5.469 10.981 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.621 6.180 11.966 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.478 5.911 9.960 1.00 0.00 O ATOM 0 H GLU A 19 -5.742 4.216 9.329 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.200 2.610 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.777 2.862 11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.508 4.584 11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.140 3.463 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.845 3.587 11.997 1.00 0.00 H new ATOM 269 N VAL A 20 -9.179 4.408 7.596 1.00 0.00 N ATOM 270 CA VAL A 20 -9.753 5.436 6.735 1.00 0.00 C ATOM 271 C VAL A 20 -11.250 5.222 6.547 1.00 0.00 C ATOM 272 O VAL A 20 -11.751 4.104 6.677 1.00 0.00 O ATOM 273 CB VAL A 20 -9.071 5.454 5.354 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.737 6.475 4.443 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.585 5.746 5.498 1.00 0.00 C ATOM 0 H VAL A 20 -9.565 3.475 7.454 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.585 6.393 7.228 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.183 4.469 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.242 6.474 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.788 6.217 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.658 7.466 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.119 5.755 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.449 6.718 5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.120 4.975 6.112 1.00 0.00 H new ATOM 285 N LEU A 21 -11.962 6.301 6.240 1.00 0.00 N ATOM 286 CA LEU A 21 -13.404 6.233 6.033 1.00 0.00 C ATOM 287 C LEU A 21 -13.732 5.954 4.570 1.00 0.00 C ATOM 288 O LEU A 21 -13.009 6.380 3.670 1.00 0.00 O ATOM 289 CB LEU A 21 -14.065 7.540 6.475 1.00 0.00 C ATOM 290 CG LEU A 21 -15.546 7.452 6.846 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.940 8.608 7.751 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.409 7.435 5.593 1.00 0.00 C ATOM 0 H LEU A 21 -11.564 7.233 6.129 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.794 5.413 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.518 7.928 7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.955 8.269 5.672 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.710 6.521 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.997 8.528 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.345 8.575 8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.761 9.551 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.460 7.372 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.241 8.349 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.146 6.572 4.981 1.00 0.00 H new ATOM 304 N GLU A 22 -14.828 5.238 4.341 1.00 0.00 N ATOM 305 CA GLU A 22 -15.252 4.903 2.986 1.00 0.00 C ATOM 306 C GLU A 22 -15.528 6.166 2.175 1.00 0.00 C ATOM 307 O GLU A 22 -16.048 7.151 2.697 1.00 0.00 O ATOM 308 CB GLU A 22 -16.504 4.024 3.021 1.00 0.00 C ATOM 309 CG GLU A 22 -17.775 4.788 3.349 1.00 0.00 C ATOM 310 CD GLU A 22 -19.026 4.066 2.885 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.150 2.856 3.168 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.879 4.710 2.240 1.00 0.00 O ATOM 0 H GLU A 22 -15.438 4.879 5.075 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.443 4.352 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.623 3.537 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.363 3.235 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.831 4.948 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.734 5.772 2.882 1.00 0.00 H new ATOM 319 N GLY A 23 -15.173 6.129 0.894 1.00 0.00 N ATOM 320 CA GLY A 23 -15.389 7.276 0.031 1.00 0.00 C ATOM 321 C GLY A 23 -14.244 8.268 0.088 1.00 0.00 C ATOM 322 O GLY A 23 -14.460 9.479 0.050 1.00 0.00 O ATOM 0 H GLY A 23 -14.740 5.326 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.519 6.935 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.313 7.776 0.321 1.00 0.00 H new ATOM 326 N GLY A 24 -13.022 7.754 0.181 1.00 0.00 N ATOM 327 CA GLY A 24 -11.857 8.617 0.244 1.00 0.00 C ATOM 328 C GLY A 24 -10.629 7.982 -0.378 1.00 0.00 C ATOM 329 O GLY A 24 -10.725 7.297 -1.396 1.00 0.00 O ATOM 0 H GLY A 24 -12.818 6.755 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.075 9.555 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.647 8.863 1.285 1.00 0.00 H new ATOM 333 N ALA A 25 -9.472 8.210 0.234 1.00 0.00 N ATOM 334 CA ALA A 25 -8.221 7.654 -0.266 1.00 0.00 C ATOM 335 C ALA A 25 -7.314 7.224 0.882 1.00 0.00 C ATOM 336 O ALA A 25 -7.235 7.897 1.909 1.00 0.00 O ATOM 337 CB ALA A 25 -7.510 8.667 -1.152 1.00 0.00 C ATOM 0 H ALA A 25 -9.375 8.776 1.077 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.456 6.770 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.577 8.238 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.149 8.923 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.294 9.566 -0.575 1.00 0.00 H new ATOM 343 N ALA A 26 -6.630 6.099 0.700 1.00 0.00 N ATOM 344 CA ALA A 26 -5.727 5.581 1.721 1.00 0.00 C ATOM 345 C ALA A 26 -4.277 5.642 1.253 1.00 0.00 C ATOM 346 O ALA A 26 -3.900 4.993 0.277 1.00 0.00 O ATOM 347 CB ALA A 26 -6.107 4.153 2.084 1.00 0.00 C ATOM 0 H ALA A 26 -6.684 5.529 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.821 6.208 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.425 3.778 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.127 4.134 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.041 3.522 1.197 1.00 0.00 H new ATOM 353 N THR A 27 -3.467 6.428 1.955 1.00 0.00 N ATOM 354 CA THR A 27 -2.058 6.576 1.611 1.00 0.00 C ATOM 355 C THR A 27 -1.175 5.756 2.545 1.00 0.00 C ATOM 356 O THR A 27 -1.080 6.045 3.739 1.00 0.00 O ATOM 357 CB THR A 27 -1.618 8.051 1.669 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.516 8.861 0.903 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.201 8.214 1.138 1.00 0.00 C ATOM 0 H THR A 27 -3.763 6.972 2.766 1.00 0.00 H new ATOM 0 HA THR A 27 -1.941 6.210 0.591 1.00 0.00 H new ATOM 0 HB THR A 27 -1.638 8.373 2.710 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.230 9.797 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.088 9.264 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.484 7.619 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.159 7.876 0.103 1.00 0.00 H new ATOM 367 N LEU A 28 -0.530 4.734 1.995 1.00 0.00 N ATOM 368 CA LEU A 28 0.348 3.872 2.779 1.00 0.00 C ATOM 369 C LEU A 28 1.790 4.364 2.719 1.00 0.00 C ATOM 370 O LEU A 28 2.256 4.825 1.677 1.00 0.00 O ATOM 371 CB LEU A 28 0.267 2.431 2.271 1.00 0.00 C ATOM 372 CG LEU A 28 -1.116 1.779 2.319 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.923 2.148 1.084 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.989 0.268 2.444 1.00 0.00 C ATOM 0 H LEU A 28 -0.598 4.481 1.009 1.00 0.00 H new ATOM 0 HA LEU A 28 0.016 3.904 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.621 2.410 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.955 1.821 2.857 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.643 2.153 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.904 1.675 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.044 3.230 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.401 1.803 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.983 -0.179 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.443 -0.123 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.450 0.023 3.359 1.00 0.00 H new ATOM 386 N ARG A 29 2.493 4.260 3.842 1.00 0.00 N ATOM 387 CA ARG A 29 3.883 4.693 3.917 1.00 0.00 C ATOM 388 C ARG A 29 4.774 3.573 4.445 1.00 0.00 C ATOM 389 O ARG A 29 4.345 2.757 5.261 1.00 0.00 O ATOM 390 CB ARG A 29 4.007 5.925 4.816 1.00 0.00 C ATOM 391 CG ARG A 29 3.820 7.240 4.077 1.00 0.00 C ATOM 392 CD ARG A 29 4.224 8.426 4.939 1.00 0.00 C ATOM 393 NE ARG A 29 4.294 9.664 4.167 1.00 0.00 N ATOM 394 CZ ARG A 29 4.192 10.873 4.708 1.00 0.00 C ATOM 395 NH1 ARG A 29 4.016 11.006 6.015 1.00 0.00 N ATOM 396 NH2 ARG A 29 4.265 11.953 3.940 1.00 0.00 N ATOM 0 H ARG A 29 2.122 3.879 4.713 1.00 0.00 H new ATOM 0 HA ARG A 29 4.212 4.951 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.267 5.858 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.988 5.921 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.415 7.233 3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.777 7.345 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.507 8.545 5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.193 8.228 5.396 1.00 0.00 H new ATOM 0 HE ARG A 29 4.428 9.597 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.959 10.179 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.938 11.936 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.399 11.855 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.187 12.881 4.356 1.00 0.00 H new ATOM 410 N CYS A 30 6.015 3.540 3.973 1.00 0.00 N ATOM 411 CA CYS A 30 6.967 2.519 4.396 1.00 0.00 C ATOM 412 C CYS A 30 8.359 2.811 3.846 1.00 0.00 C ATOM 413 O CYS A 30 8.532 3.023 2.645 1.00 0.00 O ATOM 414 CB CYS A 30 6.503 1.137 3.933 1.00 0.00 C ATOM 415 SG CYS A 30 6.328 0.978 2.141 1.00 0.00 S ATOM 0 H CYS A 30 6.386 4.208 3.297 1.00 0.00 H new ATOM 0 HA CYS A 30 7.016 2.533 5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.214 0.390 4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.545 0.911 4.402 1.00 0.00 H new ATOM 0 HG CYS A 30 5.934 -0.226 1.849 1.00 0.00 H new ATOM 421 N VAL A 31 9.349 2.824 4.732 1.00 0.00 N ATOM 422 CA VAL A 31 10.727 3.092 4.336 1.00 0.00 C ATOM 423 C VAL A 31 11.546 1.807 4.292 1.00 0.00 C ATOM 424 O VAL A 31 11.319 0.886 5.078 1.00 0.00 O ATOM 425 CB VAL A 31 11.404 4.086 5.298 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.831 4.371 4.854 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.598 5.373 5.388 1.00 0.00 C ATOM 0 H VAL A 31 9.223 2.652 5.729 1.00 0.00 H new ATOM 0 HA VAL A 31 10.690 3.530 3.339 1.00 0.00 H new ATOM 0 HB VAL A 31 11.440 3.637 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.293 5.075 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.402 3.442 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.821 4.800 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.091 6.064 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.528 5.828 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.597 5.150 5.756 1.00 0.00 H new ATOM 437 N LEU A 32 12.499 1.751 3.368 1.00 0.00 N ATOM 438 CA LEU A 32 13.353 0.578 3.221 1.00 0.00 C ATOM 439 C LEU A 32 14.739 0.836 3.805 1.00 0.00 C ATOM 440 O LEU A 32 15.233 1.963 3.779 1.00 0.00 O ATOM 441 CB LEU A 32 13.473 0.192 1.746 1.00 0.00 C ATOM 442 CG LEU A 32 12.158 -0.081 1.014 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.303 0.212 -0.471 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.713 -1.519 1.236 1.00 0.00 C ATOM 0 H LEU A 32 12.700 2.504 2.710 1.00 0.00 H new ATOM 0 HA LEU A 32 12.895 -0.245 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.997 0.992 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.097 -0.699 1.674 1.00 0.00 H new ATOM 0 HG LEU A 32 11.393 0.581 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.358 0.012 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.575 1.258 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.081 -0.424 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.776 -1.695 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.476 -2.199 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.568 -1.694 2.302 1.00 0.00 H new ATOM 456 N SER A 33 15.360 -0.215 4.329 1.00 0.00 N ATOM 457 CA SER A 33 16.688 -0.102 4.921 1.00 0.00 C ATOM 458 C SER A 33 17.560 0.859 4.118 1.00 0.00 C ATOM 459 O SER A 33 18.270 1.690 4.683 1.00 0.00 O ATOM 460 CB SER A 33 17.356 -1.476 4.993 1.00 0.00 C ATOM 461 OG SER A 33 18.373 -1.497 5.980 1.00 0.00 O ATOM 0 H SER A 33 14.965 -1.155 4.356 1.00 0.00 H new ATOM 0 HA SER A 33 16.577 0.293 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.608 -2.236 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.782 -1.728 4.022 1.00 0.00 H new ATOM 0 HG SER A 33 18.784 -2.386 6.008 1.00 0.00 H new ATOM 467 N SER A 34 17.501 0.738 2.796 1.00 0.00 N ATOM 468 CA SER A 34 18.287 1.592 1.913 1.00 0.00 C ATOM 469 C SER A 34 17.468 2.020 0.700 1.00 0.00 C ATOM 470 O SER A 34 16.355 1.540 0.486 1.00 0.00 O ATOM 471 CB SER A 34 19.552 0.862 1.458 1.00 0.00 C ATOM 472 OG SER A 34 19.231 -0.319 0.744 1.00 0.00 O ATOM 0 H SER A 34 16.917 0.056 2.312 1.00 0.00 H new ATOM 0 HA SER A 34 18.571 2.485 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 34 20.149 1.521 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.163 0.612 2.325 1.00 0.00 H new ATOM 0 HG SER A 34 20.057 -0.766 0.463 1.00 0.00 H new ATOM 478 N VAL A 35 18.028 2.928 -0.094 1.00 0.00 N ATOM 479 CA VAL A 35 17.352 3.421 -1.287 1.00 0.00 C ATOM 480 C VAL A 35 17.396 2.390 -2.410 1.00 0.00 C ATOM 481 O VAL A 35 18.373 2.307 -3.152 1.00 0.00 O ATOM 482 CB VAL A 35 17.982 4.735 -1.787 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.230 5.260 -3.000 1.00 0.00 C ATOM 484 CG2 VAL A 35 18.005 5.771 -0.674 1.00 0.00 C ATOM 0 H VAL A 35 18.948 3.337 0.068 1.00 0.00 H new ATOM 0 HA VAL A 35 16.315 3.607 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 35 19.011 4.534 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.689 6.189 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.270 4.522 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.190 5.447 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.453 6.693 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.986 5.971 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.592 5.393 0.163 1.00 0.00 H new ATOM 494 N ALA A 36 16.329 1.607 -2.528 1.00 0.00 N ATOM 495 CA ALA A 36 16.244 0.582 -3.562 1.00 0.00 C ATOM 496 C ALA A 36 14.989 0.761 -4.409 1.00 0.00 C ATOM 497 O ALA A 36 13.902 0.996 -3.884 1.00 0.00 O ATOM 498 CB ALA A 36 16.267 -0.804 -2.934 1.00 0.00 C ATOM 0 H ALA A 36 15.511 1.662 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 36 17.110 0.687 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.203 -1.559 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.195 -0.936 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.420 -0.911 -2.257 1.00 0.00 H new ATOM 504 N ALA A 37 15.148 0.648 -5.724 1.00 0.00 N ATOM 505 CA ALA A 37 14.027 0.795 -6.644 1.00 0.00 C ATOM 506 C ALA A 37 14.452 0.501 -8.079 1.00 0.00 C ATOM 507 O ALA A 37 15.639 0.409 -8.394 1.00 0.00 O ATOM 508 CB ALA A 37 13.441 2.196 -6.542 1.00 0.00 C ATOM 0 H ALA A 37 16.042 0.455 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 37 13.262 0.071 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.605 2.292 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.092 2.371 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.207 2.930 -6.794 1.00 0.00 H new ATOM 514 N PRO A 38 13.462 0.349 -8.971 1.00 0.00 N ATOM 515 CA PRO A 38 12.046 0.455 -8.608 1.00 0.00 C ATOM 516 C PRO A 38 11.580 -0.712 -7.744 1.00 0.00 C ATOM 517 O PRO A 38 12.360 -1.606 -7.417 1.00 0.00 O ATOM 518 CB PRO A 38 11.331 0.439 -9.961 1.00 0.00 C ATOM 519 CG PRO A 38 12.263 -0.282 -10.873 1.00 0.00 C ATOM 520 CD PRO A 38 13.649 0.060 -10.403 1.00 0.00 C ATOM 0 HA PRO A 38 11.843 1.346 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.369 -0.070 -9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.133 1.450 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.092 -1.358 -10.835 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.114 0.028 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.342 -0.767 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.054 0.920 -10.937 1.00 0.00 H new ATOM 528 N VAL A 39 10.302 -0.698 -7.378 1.00 0.00 N ATOM 529 CA VAL A 39 9.731 -1.756 -6.553 1.00 0.00 C ATOM 530 C VAL A 39 8.582 -2.453 -7.272 1.00 0.00 C ATOM 531 O VAL A 39 8.195 -2.062 -8.374 1.00 0.00 O ATOM 532 CB VAL A 39 9.223 -1.206 -5.207 1.00 0.00 C ATOM 533 CG1 VAL A 39 10.377 -0.651 -4.387 1.00 0.00 C ATOM 534 CG2 VAL A 39 8.159 -0.143 -5.435 1.00 0.00 C ATOM 0 H VAL A 39 9.642 0.035 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 39 10.528 -2.476 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 39 8.772 -2.024 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.999 -0.267 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.101 -1.443 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.860 0.156 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.811 0.235 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.582 0.677 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.321 -0.578 -5.979 1.00 0.00 H new ATOM 544 N LYS A 40 8.038 -3.489 -6.642 1.00 0.00 N ATOM 545 CA LYS A 40 6.931 -4.241 -7.219 1.00 0.00 C ATOM 546 C LYS A 40 5.763 -4.327 -6.241 1.00 0.00 C ATOM 547 O LYS A 40 5.923 -4.777 -5.107 1.00 0.00 O ATOM 548 CB LYS A 40 7.390 -5.649 -7.606 1.00 0.00 C ATOM 549 CG LYS A 40 6.451 -6.351 -8.571 1.00 0.00 C ATOM 550 CD LYS A 40 6.743 -7.841 -8.648 1.00 0.00 C ATOM 551 CE LYS A 40 5.546 -8.616 -9.178 1.00 0.00 C ATOM 552 NZ LYS A 40 5.638 -10.067 -8.853 1.00 0.00 N ATOM 0 H LYS A 40 8.347 -3.827 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 40 6.596 -3.716 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.381 -5.588 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.486 -6.252 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.420 -6.197 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.549 -5.908 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.604 -8.011 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.009 -8.212 -7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.630 -8.206 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.480 -8.489 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.804 -10.561 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.499 -10.464 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.675 -10.190 -7.821 1.00 0.00 H new ATOM 566 N TRP A 41 4.590 -3.894 -6.689 1.00 0.00 N ATOM 567 CA TRP A 41 3.395 -3.923 -5.853 1.00 0.00 C ATOM 568 C TRP A 41 2.405 -4.968 -6.355 1.00 0.00 C ATOM 569 O TRP A 41 1.832 -4.825 -7.436 1.00 0.00 O ATOM 570 CB TRP A 41 2.732 -2.545 -5.827 1.00 0.00 C ATOM 571 CG TRP A 41 3.429 -1.568 -4.930 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.519 -0.805 -5.238 1.00 0.00 C ATOM 573 CD2 TRP A 41 3.084 -1.250 -3.577 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.872 -0.032 -4.159 1.00 0.00 N ATOM 575 CE2 TRP A 41 4.008 -0.285 -3.127 1.00 0.00 C ATOM 576 CE3 TRP A 41 2.085 -1.684 -2.702 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.960 0.248 -1.842 1.00 0.00 C ATOM 578 CZ3 TRP A 41 2.039 -1.153 -1.427 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.971 -0.195 -1.007 1.00 0.00 C ATOM 0 H TRP A 41 4.441 -3.519 -7.626 1.00 0.00 H new ATOM 0 HA TRP A 41 3.696 -4.192 -4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.706 -2.143 -6.840 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.698 -2.653 -5.500 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.029 -0.809 -6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.652 0.625 -4.131 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.361 -2.422 -3.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.678 0.985 -1.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.271 -1.482 -0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.907 0.202 -0.004 1.00 0.00 H new ATOM 590 N CYS A 42 2.207 -6.018 -5.565 1.00 0.00 N ATOM 591 CA CYS A 42 1.286 -7.087 -5.931 1.00 0.00 C ATOM 592 C CYS A 42 0.279 -7.343 -4.815 1.00 0.00 C ATOM 593 O CYS A 42 0.656 -7.590 -3.669 1.00 0.00 O ATOM 594 CB CYS A 42 2.058 -8.370 -6.242 1.00 0.00 C ATOM 595 SG CYS A 42 3.029 -9.002 -4.853 1.00 0.00 S ATOM 0 H CYS A 42 2.672 -6.151 -4.667 1.00 0.00 H new ATOM 0 HA CYS A 42 0.742 -6.774 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.352 -9.138 -6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.725 -8.185 -7.084 1.00 0.00 H new ATOM 0 HG CYS A 42 2.533 -8.555 -3.738 1.00 0.00 H new ATOM 601 N TYR A 43 -1.003 -7.281 -5.156 1.00 0.00 N ATOM 602 CA TYR A 43 -2.065 -7.502 -4.182 1.00 0.00 C ATOM 603 C TYR A 43 -2.879 -8.743 -4.535 1.00 0.00 C ATOM 604 O TYR A 43 -3.825 -8.676 -5.318 1.00 0.00 O ATOM 605 CB TYR A 43 -2.983 -6.280 -4.110 1.00 0.00 C ATOM 606 CG TYR A 43 -4.338 -6.574 -3.508 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.454 -7.046 -2.206 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.503 -6.380 -4.240 1.00 0.00 C ATOM 609 CE1 TYR A 43 -5.690 -7.317 -1.652 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.743 -6.647 -3.693 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.831 -7.116 -2.399 1.00 0.00 C ATOM 612 OH TYR A 43 -8.064 -7.383 -1.850 1.00 0.00 O ATOM 0 H TYR A 43 -1.332 -7.079 -6.100 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.602 -7.658 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.494 -5.503 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.120 -5.880 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.562 -7.204 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.438 -6.014 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.762 -7.684 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.639 -6.489 -4.275 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.764 -7.187 -2.507 1.00 0.00 H new ATOM 622 N GLY A 44 -2.503 -9.876 -3.949 1.00 0.00 N ATOM 623 CA GLY A 44 -3.208 -11.117 -4.213 1.00 0.00 C ATOM 624 C GLY A 44 -2.870 -11.698 -5.571 1.00 0.00 C ATOM 625 O GLY A 44 -1.781 -11.470 -6.097 1.00 0.00 O ATOM 0 H GLY A 44 -1.723 -9.957 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.961 -11.843 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.282 -10.941 -4.154 1.00 0.00 H new ATOM 629 N ASN A 45 -3.805 -12.452 -6.140 1.00 0.00 N ATOM 630 CA ASN A 45 -3.599 -13.070 -7.445 1.00 0.00 C ATOM 631 C ASN A 45 -3.094 -12.047 -8.457 1.00 0.00 C ATOM 632 O ASN A 45 -2.018 -12.207 -9.032 1.00 0.00 O ATOM 633 CB ASN A 45 -4.901 -13.700 -7.944 1.00 0.00 C ATOM 634 CG ASN A 45 -5.064 -15.135 -7.482 1.00 0.00 C ATOM 635 OD1 ASN A 45 -4.169 -15.962 -7.662 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.210 -15.437 -6.884 1.00 0.00 N ATOM 0 H ASN A 45 -4.712 -12.650 -5.718 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.845 -13.849 -7.337 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.746 -13.109 -7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.923 -13.667 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.377 -16.387 -6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.923 -14.719 -6.756 1.00 0.00 H new ATOM 643 N ASN A 46 -3.879 -10.996 -8.670 1.00 0.00 N ATOM 644 CA ASN A 46 -3.512 -9.946 -9.614 1.00 0.00 C ATOM 645 C ASN A 46 -2.348 -9.117 -9.079 1.00 0.00 C ATOM 646 O ASN A 46 -1.949 -9.260 -7.923 1.00 0.00 O ATOM 647 CB ASN A 46 -4.713 -9.040 -9.893 1.00 0.00 C ATOM 648 CG ASN A 46 -4.475 -8.111 -11.068 1.00 0.00 C ATOM 649 OD1 ASN A 46 -3.618 -8.369 -11.914 1.00 0.00 O ATOM 650 ND2 ASN A 46 -5.235 -7.024 -11.126 1.00 0.00 N ATOM 0 H ASN A 46 -4.773 -10.849 -8.202 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.200 -10.420 -10.544 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.591 -9.655 -10.092 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.933 -8.449 -9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.121 -6.362 -11.894 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.933 -6.850 -10.403 1.00 0.00 H new ATOM 657 N VAL A 47 -1.809 -8.248 -9.928 1.00 0.00 N ATOM 658 CA VAL A 47 -0.692 -7.394 -9.541 1.00 0.00 C ATOM 659 C VAL A 47 -1.066 -5.920 -9.644 1.00 0.00 C ATOM 660 O VAL A 47 -1.634 -5.480 -10.645 1.00 0.00 O ATOM 661 CB VAL A 47 0.548 -7.660 -10.415 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.707 -6.776 -9.982 1.00 0.00 C ATOM 663 CG2 VAL A 47 0.936 -9.130 -10.355 1.00 0.00 C ATOM 0 H VAL A 47 -2.128 -8.117 -10.888 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.455 -7.634 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 47 0.302 -7.414 -11.448 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.574 -6.978 -10.611 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.423 -5.728 -10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.956 -6.987 -8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.814 -9.300 -10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.163 -9.405 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.109 -9.740 -10.719 1.00 0.00 H new ATOM 673 N LEU A 48 -0.744 -5.159 -8.604 1.00 0.00 N ATOM 674 CA LEU A 48 -1.046 -3.732 -8.577 1.00 0.00 C ATOM 675 C LEU A 48 -0.201 -2.977 -9.598 1.00 0.00 C ATOM 676 O LEU A 48 1.028 -2.975 -9.522 1.00 0.00 O ATOM 677 CB LEU A 48 -0.801 -3.165 -7.177 1.00 0.00 C ATOM 678 CG LEU A 48 -1.809 -3.573 -6.102 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.344 -3.108 -4.731 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.186 -3.009 -6.420 1.00 0.00 C ATOM 0 H LEU A 48 -0.274 -5.506 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.097 -3.603 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.192 -3.473 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.792 -2.077 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.878 -4.661 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.074 -3.407 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.379 -3.561 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.245 -2.022 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.890 -3.310 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.133 -1.921 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.522 -3.392 -7.384 1.00 0.00 H new ATOM 692 N ARG A 49 -0.868 -2.336 -10.552 1.00 0.00 N ATOM 693 CA ARG A 49 -0.178 -1.577 -11.588 1.00 0.00 C ATOM 694 C ARG A 49 -0.479 -0.086 -11.461 1.00 0.00 C ATOM 695 O ARG A 49 -1.574 0.320 -11.073 1.00 0.00 O ATOM 696 CB ARG A 49 -0.591 -2.075 -12.975 1.00 0.00 C ATOM 697 CG ARG A 49 0.022 -3.414 -13.348 1.00 0.00 C ATOM 698 CD ARG A 49 1.359 -3.239 -14.052 1.00 0.00 C ATOM 699 NE ARG A 49 1.200 -2.710 -15.404 1.00 0.00 N ATOM 700 CZ ARG A 49 2.092 -2.889 -16.372 1.00 0.00 C ATOM 701 NH1 ARG A 49 3.199 -3.580 -16.139 1.00 0.00 N ATOM 702 NH2 ARG A 49 1.877 -2.377 -17.577 1.00 0.00 N ATOM 0 H ARG A 49 -1.885 -2.327 -10.629 1.00 0.00 H new ATOM 0 HA ARG A 49 0.894 -1.726 -11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.677 -2.159 -13.013 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.302 -1.333 -13.719 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.159 -4.015 -12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.663 -3.961 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.989 -2.566 -13.471 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.874 -4.199 -14.096 1.00 0.00 H new ATOM 0 HE ARG A 49 0.359 -2.174 -15.616 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.368 -3.976 -15.214 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.882 -3.716 -16.884 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.026 -1.845 -17.761 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.563 -2.515 -18.320 1.00 0.00 H new ATOM 716 N PRO A 50 0.516 0.749 -11.795 1.00 0.00 N ATOM 717 CA PRO A 50 0.383 2.207 -11.726 1.00 0.00 C ATOM 718 C PRO A 50 -0.564 2.753 -12.789 1.00 0.00 C ATOM 719 O PRO A 50 -0.773 2.128 -13.828 1.00 0.00 O ATOM 720 CB PRO A 50 1.809 2.706 -11.972 1.00 0.00 C ATOM 721 CG PRO A 50 2.461 1.618 -12.753 1.00 0.00 C ATOM 722 CD PRO A 50 1.848 0.334 -12.265 1.00 0.00 C ATOM 0 HA PRO A 50 -0.039 2.533 -10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.810 3.645 -12.525 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.332 2.888 -11.033 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.292 1.750 -13.822 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.540 1.619 -12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.780 -0.407 -13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.436 -0.113 -11.463 1.00 0.00 H new ATOM 730 N GLY A 51 -1.134 3.924 -12.522 1.00 0.00 N ATOM 731 CA GLY A 51 -2.052 4.535 -13.466 1.00 0.00 C ATOM 732 C GLY A 51 -3.090 5.405 -12.786 1.00 0.00 C ATOM 733 O GLY A 51 -2.749 6.373 -12.106 1.00 0.00 O ATOM 0 H GLY A 51 -0.977 4.461 -11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.488 5.137 -14.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.555 3.754 -14.037 1.00 0.00 H new ATOM 737 N ASP A 52 -4.360 5.062 -12.971 1.00 0.00 N ATOM 738 CA ASP A 52 -5.452 5.820 -12.370 1.00 0.00 C ATOM 739 C ASP A 52 -5.964 5.129 -11.110 1.00 0.00 C ATOM 740 O ASP A 52 -6.206 5.775 -10.090 1.00 0.00 O ATOM 741 CB ASP A 52 -6.594 5.992 -13.373 1.00 0.00 C ATOM 742 CG ASP A 52 -6.124 6.575 -14.691 1.00 0.00 C ATOM 743 OD1 ASP A 52 -5.884 7.799 -14.747 1.00 0.00 O ATOM 744 OD2 ASP A 52 -5.997 5.807 -15.668 1.00 0.00 O ATOM 0 H ASP A 52 -4.659 4.264 -13.532 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.071 6.803 -12.094 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.064 5.025 -13.554 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.357 6.641 -12.943 1.00 0.00 H new ATOM 749 N LYS A 53 -6.128 3.813 -11.188 1.00 0.00 N ATOM 750 CA LYS A 53 -6.611 3.033 -10.055 1.00 0.00 C ATOM 751 C LYS A 53 -5.750 3.278 -8.820 1.00 0.00 C ATOM 752 O LYS A 53 -6.260 3.626 -7.755 1.00 0.00 O ATOM 753 CB LYS A 53 -6.615 1.542 -10.400 1.00 0.00 C ATOM 754 CG LYS A 53 -7.007 0.649 -9.236 1.00 0.00 C ATOM 755 CD LYS A 53 -8.453 0.872 -8.825 1.00 0.00 C ATOM 756 CE LYS A 53 -8.892 -0.129 -7.767 1.00 0.00 C ATOM 757 NZ LYS A 53 -9.439 -1.374 -8.374 1.00 0.00 N ATOM 0 H LYS A 53 -5.933 3.264 -12.025 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.630 3.351 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.305 1.371 -11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.623 1.256 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.863 -0.395 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.352 0.847 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.571 1.885 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.098 0.786 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.044 -0.378 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.649 0.326 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.727 -2.030 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.264 -1.140 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.709 -1.823 -8.963 1.00 0.00 H new ATOM 771 N TYR A 54 -4.443 3.095 -8.970 1.00 0.00 N ATOM 772 CA TYR A 54 -3.512 3.295 -7.866 1.00 0.00 C ATOM 773 C TYR A 54 -2.415 4.283 -8.250 1.00 0.00 C ATOM 774 O TYR A 54 -2.305 4.686 -9.408 1.00 0.00 O ATOM 775 CB TYR A 54 -2.888 1.961 -7.449 1.00 0.00 C ATOM 776 CG TYR A 54 -3.880 0.821 -7.393 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.777 0.706 -6.338 1.00 0.00 C ATOM 778 CD2 TYR A 54 -3.919 -0.142 -8.393 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.684 -0.334 -6.282 1.00 0.00 C ATOM 780 CE2 TYR A 54 -4.823 -1.185 -8.346 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.703 -1.277 -7.288 1.00 0.00 C ATOM 782 OH TYR A 54 -6.605 -2.315 -7.237 1.00 0.00 O ATOM 0 H TYR A 54 -4.004 2.809 -9.845 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.070 3.707 -7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.093 1.706 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.424 2.077 -6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.765 1.443 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.230 -0.074 -9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.375 -0.408 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.841 -1.924 -9.133 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.487 -2.890 -8.022 1.00 0.00 H new ATOM 792 N SER A 55 -1.606 4.670 -7.269 1.00 0.00 N ATOM 793 CA SER A 55 -0.519 5.614 -7.503 1.00 0.00 C ATOM 794 C SER A 55 0.769 5.133 -6.841 1.00 0.00 C ATOM 795 O SER A 55 0.831 4.968 -5.622 1.00 0.00 O ATOM 796 CB SER A 55 -0.894 6.998 -6.969 1.00 0.00 C ATOM 797 OG SER A 55 -0.068 8.003 -7.532 1.00 0.00 O ATOM 0 H SER A 55 -1.682 4.345 -6.305 1.00 0.00 H new ATOM 0 HA SER A 55 -0.352 5.680 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.938 7.210 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.799 7.010 -5.883 1.00 0.00 H new ATOM 0 HG SER A 55 -0.329 8.878 -7.176 1.00 0.00 H new ATOM 803 N LEU A 56 1.796 4.910 -7.654 1.00 0.00 N ATOM 804 CA LEU A 56 3.085 4.449 -7.149 1.00 0.00 C ATOM 805 C LEU A 56 4.157 5.517 -7.335 1.00 0.00 C ATOM 806 O LEU A 56 4.788 5.601 -8.389 1.00 0.00 O ATOM 807 CB LEU A 56 3.502 3.161 -7.862 1.00 0.00 C ATOM 808 CG LEU A 56 2.447 2.056 -7.924 1.00 0.00 C ATOM 809 CD1 LEU A 56 2.913 0.924 -8.827 1.00 0.00 C ATOM 810 CD2 LEU A 56 2.138 1.535 -6.529 1.00 0.00 C ATOM 0 H LEU A 56 1.761 5.041 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 56 2.980 4.250 -6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.796 3.412 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.386 2.764 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 56 1.533 2.476 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.150 0.147 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.083 1.308 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.841 0.506 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.385 0.749 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.047 1.132 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.760 2.350 -5.912 1.00 0.00 H new ATOM 822 N ARG A 57 4.359 6.331 -6.304 1.00 0.00 N ATOM 823 CA ARG A 57 5.356 7.393 -6.353 1.00 0.00 C ATOM 824 C ARG A 57 6.612 6.998 -5.581 1.00 0.00 C ATOM 825 O ARG A 57 6.562 6.768 -4.373 1.00 0.00 O ATOM 826 CB ARG A 57 4.780 8.690 -5.780 1.00 0.00 C ATOM 827 CG ARG A 57 5.600 9.923 -6.120 1.00 0.00 C ATOM 828 CD ARG A 57 4.753 11.185 -6.074 1.00 0.00 C ATOM 829 NE ARG A 57 4.153 11.394 -4.759 1.00 0.00 N ATOM 830 CZ ARG A 57 3.746 12.579 -4.316 1.00 0.00 C ATOM 831 NH1 ARG A 57 3.875 13.655 -5.080 1.00 0.00 N ATOM 832 NH2 ARG A 57 3.209 12.688 -3.108 1.00 0.00 N ATOM 0 H ARG A 57 3.845 6.275 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 57 5.627 7.553 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.765 8.824 -6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.709 8.599 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.430 10.014 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.034 9.810 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.370 12.046 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.966 11.121 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 57 4.040 10.586 -4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.287 13.574 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.562 14.564 -4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.108 11.862 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.897 13.598 -2.769 1.00 0.00 H new ATOM 846 N GLN A 58 7.734 6.919 -6.288 1.00 0.00 N ATOM 847 CA GLN A 58 9.002 6.550 -5.669 1.00 0.00 C ATOM 848 C GLN A 58 9.732 7.782 -5.146 1.00 0.00 C ATOM 849 O GLN A 58 9.936 8.751 -5.877 1.00 0.00 O ATOM 850 CB GLN A 58 9.886 5.807 -6.672 1.00 0.00 C ATOM 851 CG GLN A 58 11.137 5.205 -6.052 1.00 0.00 C ATOM 852 CD GLN A 58 10.884 3.846 -5.430 1.00 0.00 C ATOM 853 OE1 GLN A 58 10.086 3.057 -5.938 1.00 0.00 O ATOM 854 NE2 GLN A 58 11.564 3.564 -4.325 1.00 0.00 N ATOM 0 H GLN A 58 7.791 7.105 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 58 8.788 5.892 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.303 5.013 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.179 6.495 -7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.908 5.112 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.523 5.883 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.215 4.247 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.435 2.664 -3.863 1.00 0.00 H new ATOM 863 N GLU A 59 10.122 7.738 -3.875 1.00 0.00 N ATOM 864 CA GLU A 59 10.828 8.853 -3.255 1.00 0.00 C ATOM 865 C GLU A 59 11.926 8.350 -2.322 1.00 0.00 C ATOM 866 O GLU A 59 11.668 7.570 -1.406 1.00 0.00 O ATOM 867 CB GLU A 59 9.849 9.737 -2.479 1.00 0.00 C ATOM 868 CG GLU A 59 9.072 10.702 -3.358 1.00 0.00 C ATOM 869 CD GLU A 59 9.864 11.950 -3.696 1.00 0.00 C ATOM 870 OE1 GLU A 59 10.613 12.432 -2.821 1.00 0.00 O ATOM 871 OE2 GLU A 59 9.735 12.445 -4.835 1.00 0.00 O ATOM 0 H GLU A 59 9.961 6.943 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 59 11.290 9.443 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.145 9.101 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.401 10.305 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.786 10.197 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.150 10.987 -2.851 1.00 0.00 H new ATOM 878 N GLY A 60 13.153 8.802 -2.563 1.00 0.00 N ATOM 879 CA GLY A 60 14.272 8.387 -1.738 1.00 0.00 C ATOM 880 C GLY A 60 14.230 6.909 -1.405 1.00 0.00 C ATOM 881 O GLY A 60 14.397 6.063 -2.283 1.00 0.00 O ATOM 0 H GLY A 60 13.392 9.448 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.204 8.613 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.272 8.965 -0.814 1.00 0.00 H new ATOM 885 N ALA A 61 14.008 6.597 -0.132 1.00 0.00 N ATOM 886 CA ALA A 61 13.945 5.211 0.315 1.00 0.00 C ATOM 887 C ALA A 61 12.592 4.899 0.946 1.00 0.00 C ATOM 888 O ALA A 61 12.506 4.127 1.900 1.00 0.00 O ATOM 889 CB ALA A 61 15.068 4.922 1.299 1.00 0.00 C ATOM 0 H ALA A 61 13.869 7.285 0.608 1.00 0.00 H new ATOM 0 HA ALA A 61 14.067 4.568 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.008 3.883 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.029 5.096 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.972 5.579 2.163 1.00 0.00 H new ATOM 895 N MET A 62 11.539 5.506 0.408 1.00 0.00 N ATOM 896 CA MET A 62 10.191 5.292 0.920 1.00 0.00 C ATOM 897 C MET A 62 9.195 5.126 -0.224 1.00 0.00 C ATOM 898 O MET A 62 9.310 5.782 -1.260 1.00 0.00 O ATOM 899 CB MET A 62 9.769 6.460 1.813 1.00 0.00 C ATOM 900 CG MET A 62 8.425 6.253 2.491 1.00 0.00 C ATOM 901 SD MET A 62 7.998 7.597 3.614 1.00 0.00 S ATOM 902 CE MET A 62 7.881 6.715 5.169 1.00 0.00 C ATOM 0 H MET A 62 11.593 6.149 -0.382 1.00 0.00 H new ATOM 0 HA MET A 62 10.195 4.376 1.511 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.531 6.617 2.576 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.728 7.369 1.213 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.650 6.160 1.731 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.443 5.314 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.942 6.968 5.661 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.915 5.642 4.982 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.715 6.998 5.812 1.00 0.00 H new ATOM 912 N LEU A 63 8.219 4.246 -0.030 1.00 0.00 N ATOM 913 CA LEU A 63 7.203 3.994 -1.046 1.00 0.00 C ATOM 914 C LEU A 63 5.865 4.603 -0.640 1.00 0.00 C ATOM 915 O LEU A 63 5.564 4.727 0.546 1.00 0.00 O ATOM 916 CB LEU A 63 7.044 2.490 -1.275 1.00 0.00 C ATOM 917 CG LEU A 63 8.208 1.792 -1.980 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.601 2.550 -3.239 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.398 1.659 -1.042 1.00 0.00 C ATOM 0 H LEU A 63 8.110 3.695 0.821 1.00 0.00 H new ATOM 0 HA LEU A 63 7.528 4.464 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.890 2.010 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.139 2.325 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 63 7.885 0.792 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.431 2.039 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.750 2.592 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.904 3.563 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.216 1.160 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.722 2.649 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.110 1.072 -0.170 1.00 0.00 H new ATOM 931 N GLU A 64 5.065 4.977 -1.634 1.00 0.00 N ATOM 932 CA GLU A 64 3.758 5.571 -1.379 1.00 0.00 C ATOM 933 C GLU A 64 2.699 4.970 -2.299 1.00 0.00 C ATOM 934 O GLU A 64 2.837 4.994 -3.523 1.00 0.00 O ATOM 935 CB GLU A 64 3.815 7.088 -1.572 1.00 0.00 C ATOM 936 CG GLU A 64 2.768 7.843 -0.771 1.00 0.00 C ATOM 937 CD GLU A 64 3.157 8.012 0.685 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.990 8.895 0.977 1.00 0.00 O ATOM 939 OE2 GLU A 64 2.629 7.262 1.531 1.00 0.00 O ATOM 0 H GLU A 64 5.299 4.879 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 64 3.484 5.354 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.805 7.445 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.685 7.316 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.612 8.825 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.818 7.312 -0.830 1.00 0.00 H new ATOM 946 N LEU A 65 1.641 4.433 -1.702 1.00 0.00 N ATOM 947 CA LEU A 65 0.557 3.825 -2.466 1.00 0.00 C ATOM 948 C LEU A 65 -0.790 4.417 -2.066 1.00 0.00 C ATOM 949 O LEU A 65 -1.242 4.251 -0.933 1.00 0.00 O ATOM 950 CB LEU A 65 0.544 2.310 -2.254 1.00 0.00 C ATOM 951 CG LEU A 65 -0.696 1.572 -2.759 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.508 1.140 -4.205 1.00 0.00 C ATOM 953 CD2 LEU A 65 -0.998 0.370 -1.876 1.00 0.00 C ATOM 0 H LEU A 65 1.510 4.406 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 65 0.727 4.037 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.420 1.887 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.651 2.112 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.545 2.254 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.401 0.616 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.341 2.018 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.353 0.475 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.884 -0.143 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.149 -0.314 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.177 0.705 -0.854 1.00 0.00 H new ATOM 965 N VAL A 66 -1.429 5.108 -3.005 1.00 0.00 N ATOM 966 CA VAL A 66 -2.727 5.723 -2.752 1.00 0.00 C ATOM 967 C VAL A 66 -3.850 4.923 -3.403 1.00 0.00 C ATOM 968 O VAL A 66 -3.774 4.570 -4.580 1.00 0.00 O ATOM 969 CB VAL A 66 -2.773 7.171 -3.275 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.150 7.777 -3.047 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.694 8.012 -2.609 1.00 0.00 C ATOM 0 H VAL A 66 -1.069 5.256 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.869 5.730 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.581 7.158 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.164 8.800 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.899 7.187 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.375 7.779 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.741 9.032 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.853 8.020 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.714 7.587 -2.828 1.00 0.00 H new ATOM 981 N VAL A 67 -4.893 4.641 -2.629 1.00 0.00 N ATOM 982 CA VAL A 67 -6.034 3.884 -3.131 1.00 0.00 C ATOM 983 C VAL A 67 -7.307 4.722 -3.096 1.00 0.00 C ATOM 984 O VAL A 67 -7.857 4.990 -2.028 1.00 0.00 O ATOM 985 CB VAL A 67 -6.257 2.597 -2.313 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.447 1.820 -2.855 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.001 1.739 -2.319 1.00 0.00 C ATOM 0 H VAL A 67 -4.972 4.925 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.807 3.615 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.475 2.875 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.589 0.914 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.343 2.438 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.262 1.550 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.176 0.834 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.750 1.468 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.176 2.299 -1.880 1.00 0.00 H new ATOM 997 N ARG A 68 -7.771 5.131 -4.272 1.00 0.00 N ATOM 998 CA ARG A 68 -8.980 5.940 -4.377 1.00 0.00 C ATOM 999 C ARG A 68 -10.221 5.055 -4.448 1.00 0.00 C ATOM 1000 O ARG A 68 -10.129 3.860 -4.728 1.00 0.00 O ATOM 1001 CB ARG A 68 -8.912 6.840 -5.612 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.092 8.102 -5.401 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.273 9.083 -6.549 1.00 0.00 C ATOM 1004 NE ARG A 68 -9.405 9.979 -6.330 1.00 0.00 N ATOM 1005 CZ ARG A 68 -9.377 11.007 -5.490 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.280 11.268 -4.793 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -10.448 11.777 -5.346 1.00 0.00 N ATOM 0 H ARG A 68 -7.329 4.916 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.049 6.563 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.486 6.274 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.924 7.119 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.387 8.577 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.038 7.841 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.363 9.671 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.422 8.531 -7.477 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.265 9.806 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.455 10.679 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.261 12.058 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.294 11.579 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.425 12.566 -4.700 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.381 5.650 -4.191 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.641 4.916 -4.224 1.00 0.00 C ATOM 1023 C ASN A 69 -12.676 3.846 -3.137 1.00 0.00 C ATOM 1024 O ASN A 69 -12.957 2.678 -3.409 1.00 0.00 O ATOM 1025 CB ASN A 69 -12.844 4.271 -5.597 1.00 0.00 C ATOM 1026 CG ASN A 69 -14.171 3.546 -5.705 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -14.233 2.322 -5.590 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -15.241 4.300 -5.927 1.00 0.00 N ATOM 0 H ASN A 69 -11.475 6.638 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.450 5.623 -4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.789 5.040 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.033 3.569 -5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.161 3.868 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.143 5.311 -6.016 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.389 4.252 -1.906 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.387 3.328 -0.776 1.00 0.00 C ATOM 1037 C LEU A 70 -13.786 2.776 -0.523 1.00 0.00 C ATOM 1038 O LEU A 70 -14.786 3.414 -0.854 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.868 4.029 0.481 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.375 4.357 0.498 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.021 5.169 1.734 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.548 3.081 0.441 1.00 0.00 C ATOM 0 H LEU A 70 -12.155 5.215 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.726 2.496 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.425 4.957 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.091 3.399 1.342 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.144 4.956 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.954 5.393 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.587 6.100 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.267 4.596 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.488 3.334 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.783 2.456 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.780 2.537 -0.475 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.850 1.587 0.068 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.126 0.950 0.367 1.00 0.00 C ATOM 1056 C ARG A 71 -15.033 0.117 1.642 1.00 0.00 C ATOM 1057 O ARG A 71 -13.956 -0.316 2.052 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.564 0.065 -0.802 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.064 0.848 -2.005 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.389 1.534 -1.712 1.00 0.00 C ATOM 1061 NE ARG A 71 -18.454 0.573 -1.440 1.00 0.00 N ATOM 1062 CZ ARG A 71 -19.540 0.861 -0.731 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.703 2.076 -0.226 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -20.466 -0.067 -0.526 1.00 0.00 N ATOM 0 H ARG A 71 -13.032 1.046 0.349 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.868 1.734 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.724 -0.559 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.353 -0.606 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.322 1.594 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.181 0.176 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.272 2.198 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.671 2.157 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.359 -0.371 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.994 2.792 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.538 2.294 0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.345 -1.003 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.299 0.156 0.019 1.00 0.00 H new ATOM 1078 N PRO A 72 -16.187 -0.113 2.285 1.00 0.00 N ATOM 1079 CA PRO A 72 -16.262 -0.895 3.522 1.00 0.00 C ATOM 1080 C PRO A 72 -15.983 -2.376 3.290 1.00 0.00 C ATOM 1081 O PRO A 72 -15.657 -3.108 4.224 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.707 -0.689 3.985 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.463 -0.378 2.740 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.509 0.372 1.852 1.00 0.00 C ATOM 0 HA PRO A 72 -15.517 -0.577 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.098 -1.582 4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.779 0.125 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.811 -1.291 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.346 0.222 2.959 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.690 0.160 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.603 1.450 1.981 1.00 0.00 H new ATOM 1092 N GLN A 73 -16.113 -2.809 2.041 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.875 -4.203 1.687 1.00 0.00 C ATOM 1094 C GLN A 73 -14.511 -4.372 1.026 1.00 0.00 C ATOM 1095 O GLN A 73 -13.922 -5.453 1.061 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.974 -4.710 0.752 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.948 -4.063 -0.623 1.00 0.00 C ATOM 1098 CD GLN A 73 -17.843 -2.843 -0.712 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -17.879 -2.018 0.202 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.572 -2.721 -1.815 1.00 0.00 N ATOM 0 H GLN A 73 -16.382 -2.215 1.257 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.889 -4.791 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.874 -5.789 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.945 -4.527 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.925 -3.776 -0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -17.260 -4.793 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -18.511 -3.428 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.193 -1.920 -1.930 1.00 0.00 H new ATOM 1109 N ASP A 74 -14.014 -3.297 0.424 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.719 -3.326 -0.245 1.00 0.00 C ATOM 1111 C ASP A 74 -11.622 -3.778 0.713 1.00 0.00 C ATOM 1112 O ASP A 74 -10.707 -4.505 0.327 1.00 0.00 O ATOM 1113 CB ASP A 74 -12.382 -1.945 -0.811 1.00 0.00 C ATOM 1114 CG ASP A 74 -11.028 -1.912 -1.492 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -10.019 -2.217 -0.821 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -10.977 -1.583 -2.695 1.00 0.00 O ATOM 0 H ASP A 74 -14.488 -2.395 0.386 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.778 -4.042 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -13.151 -1.651 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.398 -1.212 -0.005 1.00 0.00 H new ATOM 1121 N SER A 75 -11.719 -3.340 1.965 1.00 0.00 N ATOM 1122 CA SER A 75 -10.733 -3.695 2.978 1.00 0.00 C ATOM 1123 C SER A 75 -10.317 -5.157 2.842 1.00 0.00 C ATOM 1124 O SER A 75 -11.112 -6.065 3.081 1.00 0.00 O ATOM 1125 CB SER A 75 -11.294 -3.441 4.378 1.00 0.00 C ATOM 1126 OG SER A 75 -11.274 -2.059 4.693 1.00 0.00 O ATOM 0 H SER A 75 -12.471 -2.739 2.301 1.00 0.00 H new ATOM 0 HA SER A 75 -9.853 -3.069 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.316 -3.816 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.709 -3.993 5.113 1.00 0.00 H new ATOM 0 HG SER A 75 -10.501 -1.865 5.264 1.00 0.00 H new ATOM 1132 N GLY A 76 -9.063 -5.376 2.457 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.562 -6.728 2.295 1.00 0.00 C ATOM 1134 C GLY A 76 -7.165 -6.900 2.858 1.00 0.00 C ATOM 1135 O GLY A 76 -6.838 -6.343 3.906 1.00 0.00 O ATOM 0 H GLY A 76 -8.385 -4.641 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.238 -7.425 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.558 -6.986 1.236 1.00 0.00 H new ATOM 1139 N ARG A 77 -6.340 -7.675 2.162 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.971 -7.921 2.600 1.00 0.00 C ATOM 1141 C ARG A 77 -3.969 -7.371 1.589 1.00 0.00 C ATOM 1142 O ARG A 77 -3.725 -7.981 0.548 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.739 -9.420 2.801 1.00 0.00 C ATOM 1144 CG ARG A 77 -3.628 -9.737 3.788 1.00 0.00 C ATOM 1145 CD ARG A 77 -3.384 -11.235 3.890 1.00 0.00 C ATOM 1146 NE ARG A 77 -3.005 -11.816 2.604 1.00 0.00 N ATOM 1147 CZ ARG A 77 -2.313 -12.943 2.483 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.927 -13.608 3.563 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -2.007 -13.408 1.278 1.00 0.00 N ATOM 0 H ARG A 77 -6.595 -8.143 1.293 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.822 -7.407 3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.664 -9.879 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.500 -9.874 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.710 -9.238 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.888 -9.342 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.597 -11.425 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.285 -11.725 4.258 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.287 -11.330 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.161 -13.254 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.396 -14.473 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.303 -12.900 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.475 -14.274 1.185 1.00 0.00 H new ATOM 1163 N TYR A 78 -3.394 -6.216 1.903 1.00 0.00 N ATOM 1164 CA TYR A 78 -2.421 -5.582 1.021 1.00 0.00 C ATOM 1165 C TYR A 78 -1.005 -6.045 1.350 1.00 0.00 C ATOM 1166 O TYR A 78 -0.549 -5.924 2.487 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.512 -4.060 1.137 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.694 -3.466 0.404 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.990 -3.651 0.869 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.514 -2.720 -0.755 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -6.072 -3.111 0.201 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.590 -2.175 -1.428 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.867 -2.374 -0.946 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.942 -1.834 -1.613 1.00 0.00 O ATOM 0 H TYR A 78 -3.585 -5.699 2.762 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.651 -5.876 -0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.574 -3.787 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.595 -3.619 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.154 -4.227 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.516 -2.564 -1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.073 -3.265 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.432 -1.596 -2.326 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.772 -2.094 -1.161 1.00 0.00 H new ATOM 1184 N SER A 79 -0.314 -6.575 0.346 1.00 0.00 N ATOM 1185 CA SER A 79 1.050 -7.059 0.528 1.00 0.00 C ATOM 1186 C SER A 79 2.003 -6.376 -0.448 1.00 0.00 C ATOM 1187 O SER A 79 1.704 -6.244 -1.636 1.00 0.00 O ATOM 1188 CB SER A 79 1.105 -8.575 0.335 1.00 0.00 C ATOM 1189 OG SER A 79 0.339 -9.243 1.324 1.00 0.00 O ATOM 0 H SER A 79 -0.676 -6.680 -0.602 1.00 0.00 H new ATOM 0 HA SER A 79 1.363 -6.817 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.730 -8.833 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.140 -8.914 0.382 1.00 0.00 H new ATOM 0 HG SER A 79 0.389 -10.211 1.178 1.00 0.00 H new ATOM 1195 N CYS A 80 3.151 -5.944 0.061 1.00 0.00 N ATOM 1196 CA CYS A 80 4.150 -5.274 -0.765 1.00 0.00 C ATOM 1197 C CYS A 80 5.385 -6.150 -0.943 1.00 0.00 C ATOM 1198 O CYS A 80 6.030 -6.537 0.032 1.00 0.00 O ATOM 1199 CB CYS A 80 4.544 -3.936 -0.138 1.00 0.00 C ATOM 1200 SG CYS A 80 5.122 -2.705 -1.330 1.00 0.00 S ATOM 0 H CYS A 80 3.414 -6.045 1.041 1.00 0.00 H new ATOM 0 HA CYS A 80 3.712 -5.093 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.686 -3.532 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.328 -4.109 0.599 1.00 0.00 H new ATOM 0 HG CYS A 80 4.162 -1.867 -1.589 1.00 0.00 H new ATOM 1206 N SER A 81 5.709 -6.461 -2.194 1.00 0.00 N ATOM 1207 CA SER A 81 6.864 -7.296 -2.500 1.00 0.00 C ATOM 1208 C SER A 81 8.051 -6.444 -2.938 1.00 0.00 C ATOM 1209 O SER A 81 7.916 -5.560 -3.786 1.00 0.00 O ATOM 1210 CB SER A 81 6.515 -8.306 -3.595 1.00 0.00 C ATOM 1211 OG SER A 81 7.432 -9.386 -3.605 1.00 0.00 O ATOM 0 H SER A 81 5.187 -6.147 -3.012 1.00 0.00 H new ATOM 0 HA SER A 81 7.141 -7.835 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.505 -8.684 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.521 -7.811 -4.566 1.00 0.00 H new ATOM 0 HG SER A 81 7.186 -10.018 -4.312 1.00 0.00 H new ATOM 1217 N PHE A 82 9.214 -6.714 -2.355 1.00 0.00 N ATOM 1218 CA PHE A 82 10.425 -5.972 -2.684 1.00 0.00 C ATOM 1219 C PHE A 82 11.666 -6.708 -2.187 1.00 0.00 C ATOM 1220 O PHE A 82 11.838 -6.917 -0.987 1.00 0.00 O ATOM 1221 CB PHE A 82 10.371 -4.570 -2.074 1.00 0.00 C ATOM 1222 CG PHE A 82 11.724 -4.005 -1.750 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.426 -3.270 -2.692 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.294 -4.208 -0.503 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.672 -2.748 -2.397 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.539 -3.688 -0.203 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.229 -2.958 -1.151 1.00 0.00 C ATOM 0 H PHE A 82 9.343 -7.442 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 82 10.485 -5.887 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.863 -3.900 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.772 -4.601 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.995 -3.103 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.760 -4.779 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.209 -2.177 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.972 -3.852 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.202 -2.552 -0.918 1.00 0.00 H new ATOM 1237 N GLY A 83 12.528 -7.099 -3.120 1.00 0.00 N ATOM 1238 CA GLY A 83 13.742 -7.808 -2.758 1.00 0.00 C ATOM 1239 C GLY A 83 13.495 -9.278 -2.484 1.00 0.00 C ATOM 1240 O GLY A 83 13.108 -10.027 -3.382 1.00 0.00 O ATOM 0 H GLY A 83 12.408 -6.938 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.471 -7.709 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.179 -7.345 -1.873 1.00 0.00 H new ATOM 1244 N ASP A 84 13.720 -9.693 -1.243 1.00 0.00 N ATOM 1245 CA ASP A 84 13.520 -11.084 -0.853 1.00 0.00 C ATOM 1246 C ASP A 84 12.373 -11.210 0.145 1.00 0.00 C ATOM 1247 O ASP A 84 11.556 -12.126 0.053 1.00 0.00 O ATOM 1248 CB ASP A 84 14.803 -11.657 -0.249 1.00 0.00 C ATOM 1249 CG ASP A 84 15.774 -12.144 -1.306 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.313 -12.536 -2.399 1.00 0.00 O ATOM 1251 OD2 ASP A 84 16.994 -12.135 -1.041 1.00 0.00 O ATOM 0 H ASP A 84 14.041 -9.086 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 84 13.264 -11.652 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.287 -10.893 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.551 -12.483 0.416 1.00 0.00 H new ATOM 1256 N GLN A 85 12.319 -10.284 1.096 1.00 0.00 N ATOM 1257 CA GLN A 85 11.273 -10.292 2.112 1.00 0.00 C ATOM 1258 C GLN A 85 9.998 -9.640 1.587 1.00 0.00 C ATOM 1259 O GLN A 85 10.033 -8.867 0.628 1.00 0.00 O ATOM 1260 CB GLN A 85 11.750 -9.567 3.372 1.00 0.00 C ATOM 1261 CG GLN A 85 13.002 -10.171 3.985 1.00 0.00 C ATOM 1262 CD GLN A 85 13.074 -9.967 5.485 1.00 0.00 C ATOM 1263 OE1 GLN A 85 13.623 -8.832 5.903 1.00 0.00 O flip ATOM 1264 NE2 GLN A 85 12.642 -10.820 6.261 1.00 0.00 N flip ATOM 0 H GLN A 85 12.987 -9.518 1.185 1.00 0.00 H new ATOM 0 HA GLN A 85 11.052 -11.330 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.943 -8.522 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.951 -9.580 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.031 -11.238 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.881 -9.726 3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.228 -11.678 5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.698 -10.669 7.268 1.00 0.00 H new ATOM 1273 N THR A 86 8.873 -9.956 2.220 1.00 0.00 N ATOM 1274 CA THR A 86 7.587 -9.403 1.816 1.00 0.00 C ATOM 1275 C THR A 86 6.679 -9.183 3.021 1.00 0.00 C ATOM 1276 O THR A 86 6.315 -10.131 3.717 1.00 0.00 O ATOM 1277 CB THR A 86 6.871 -10.323 0.809 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.732 -10.597 -0.302 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.583 -9.683 0.313 1.00 0.00 C ATOM 0 H THR A 86 8.827 -10.593 3.015 1.00 0.00 H new ATOM 0 HA THR A 86 7.792 -8.444 1.339 1.00 0.00 H new ATOM 0 HB THR A 86 6.623 -11.256 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.270 -11.184 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.095 -10.351 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.918 -9.502 1.157 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.812 -8.737 -0.177 1.00 0.00 H new ATOM 1287 N THR A 87 6.317 -7.927 3.262 1.00 0.00 N ATOM 1288 CA THR A 87 5.452 -7.583 4.383 1.00 0.00 C ATOM 1289 C THR A 87 3.991 -7.517 3.951 1.00 0.00 C ATOM 1290 O THR A 87 3.691 -7.304 2.776 1.00 0.00 O ATOM 1291 CB THR A 87 5.852 -6.234 5.008 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.097 -6.003 6.202 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.621 -5.093 4.028 1.00 0.00 C ATOM 0 H THR A 87 6.610 -7.131 2.695 1.00 0.00 H new ATOM 0 HA THR A 87 5.572 -8.370 5.128 1.00 0.00 H new ATOM 0 HB THR A 87 6.914 -6.274 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.703 -5.106 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.911 -4.150 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.220 -5.256 3.132 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.566 -5.054 3.757 1.00 0.00 H new ATOM 1301 N SER A 88 3.087 -7.699 4.908 1.00 0.00 N ATOM 1302 CA SER A 88 1.657 -7.663 4.625 1.00 0.00 C ATOM 1303 C SER A 88 0.898 -6.968 5.751 1.00 0.00 C ATOM 1304 O SER A 88 1.160 -7.206 6.930 1.00 0.00 O ATOM 1305 CB SER A 88 1.118 -9.082 4.431 1.00 0.00 C ATOM 1306 OG SER A 88 1.184 -9.822 5.637 1.00 0.00 O ATOM 0 H SER A 88 3.319 -7.873 5.886 1.00 0.00 H new ATOM 0 HA SER A 88 1.508 -7.097 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.086 -9.038 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.693 -9.590 3.657 1.00 0.00 H new ATOM 0 HG SER A 88 0.832 -10.724 5.487 1.00 0.00 H new ATOM 1312 N ALA A 89 -0.044 -6.108 5.378 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.843 -5.379 6.356 1.00 0.00 C ATOM 1314 C ALA A 89 -2.321 -5.395 5.978 1.00 0.00 C ATOM 1315 O ALA A 89 -2.696 -5.896 4.918 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.344 -3.948 6.483 1.00 0.00 C ATOM 0 H ALA A 89 -0.273 -5.899 4.406 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.736 -5.876 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.949 -3.415 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.697 -3.953 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.421 -3.449 5.517 1.00 0.00 H new ATOM 1322 N THR A 90 -3.156 -4.843 6.853 1.00 0.00 N ATOM 1323 CA THR A 90 -4.593 -4.796 6.612 1.00 0.00 C ATOM 1324 C THR A 90 -5.132 -3.380 6.780 1.00 0.00 C ATOM 1325 O THR A 90 -4.666 -2.625 7.635 1.00 0.00 O ATOM 1326 CB THR A 90 -5.353 -5.738 7.564 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.917 -7.088 7.368 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.854 -5.646 7.332 1.00 0.00 C ATOM 0 H THR A 90 -2.862 -4.422 7.735 1.00 0.00 H new ATOM 0 HA THR A 90 -4.752 -5.124 5.585 1.00 0.00 H new ATOM 0 HB THR A 90 -5.140 -5.433 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.404 -7.681 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.370 -6.320 8.016 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.188 -4.624 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.081 -5.928 6.304 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.115 -3.025 5.960 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.719 -1.698 6.019 1.00 0.00 C ATOM 1338 C LEU A 91 -8.149 -1.773 6.542 1.00 0.00 C ATOM 1339 O LEU A 91 -8.912 -2.666 6.170 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.703 -1.048 4.634 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.175 0.405 4.570 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.116 1.336 5.140 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.513 0.793 3.138 1.00 0.00 C ATOM 0 H LEU A 91 -6.511 -3.637 5.247 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.133 -1.089 6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.687 -1.097 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.329 -1.642 3.968 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.077 0.501 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.470 2.366 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.922 1.073 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.196 1.238 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.847 1.830 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.628 0.681 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.307 0.146 2.764 1.00 0.00 H new ATOM 1355 N THR A 92 -8.509 -0.829 7.406 1.00 0.00 N ATOM 1356 CA THR A 92 -9.848 -0.787 7.979 1.00 0.00 C ATOM 1357 C THR A 92 -10.670 0.346 7.374 1.00 0.00 C ATOM 1358 O THR A 92 -10.219 1.489 7.313 1.00 0.00 O ATOM 1359 CB THR A 92 -9.799 -0.610 9.508 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.990 -1.636 10.094 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.198 -0.659 10.104 1.00 0.00 C ATOM 0 H THR A 92 -7.891 -0.083 7.724 1.00 0.00 H new ATOM 0 HA THR A 92 -10.322 -1.741 7.746 1.00 0.00 H new ATOM 0 HB THR A 92 -9.363 0.365 9.725 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.962 -1.516 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.138 -0.532 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.803 0.141 9.678 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.657 -1.621 9.877 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.879 0.020 6.928 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.766 1.011 6.330 1.00 0.00 C ATOM 1371 C VAL A 93 -14.126 1.018 7.017 1.00 0.00 C ATOM 1372 O VAL A 93 -14.807 -0.006 7.083 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.965 0.750 4.825 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.848 1.824 4.208 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.621 0.680 4.114 1.00 0.00 C ATOM 0 H VAL A 93 -12.267 -0.923 6.969 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.290 1.983 6.464 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.465 -0.211 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.977 1.622 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.821 1.821 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.379 2.799 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.781 0.495 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.092 1.624 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.027 -0.130 4.538 1.00 0.00 H new ATOM 1385 N THR A 94 -14.518 2.181 7.529 1.00 0.00 N ATOM 1386 CA THR A 94 -15.798 2.322 8.213 1.00 0.00 C ATOM 1387 C THR A 94 -16.888 2.781 7.251 1.00 0.00 C ATOM 1388 O THR A 94 -16.716 3.761 6.526 1.00 0.00 O ATOM 1389 CB THR A 94 -15.703 3.324 9.380 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.599 2.987 10.226 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.989 3.330 10.193 1.00 0.00 C ATOM 0 H THR A 94 -13.968 3.039 7.483 1.00 0.00 H new ATOM 0 HA THR A 94 -16.056 1.339 8.607 1.00 0.00 H new ATOM 0 HB THR A 94 -15.550 4.320 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.544 3.629 10.964 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.899 4.045 11.011 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.823 3.615 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.167 2.334 10.599 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.009 2.068 7.250 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.128 2.404 6.379 1.00 0.00 C ATOM 1401 C ALA A 95 -19.884 3.621 6.902 1.00 0.00 C ATOM 1402 O ALA A 95 -20.337 3.639 8.047 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.067 1.215 6.243 1.00 0.00 C ATOM 0 H ALA A 95 -18.166 1.253 7.843 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.729 2.652 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.898 1.481 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.526 0.371 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.451 0.941 7.225 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.017 4.637 6.057 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.718 5.860 6.434 1.00 0.00 C ATOM 1411 C LEU A 96 -21.881 5.553 7.372 1.00 0.00 C ATOM 1412 O LEU A 96 -22.508 4.496 7.298 1.00 0.00 O ATOM 1413 CB LEU A 96 -21.231 6.582 5.187 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.177 7.307 4.350 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -20.704 7.585 2.951 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.754 8.602 5.029 1.00 0.00 C ATOM 0 H LEU A 96 -19.649 4.639 5.106 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.014 6.507 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.733 5.853 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.983 7.308 5.496 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.303 6.662 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.940 8.102 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.956 6.643 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.595 8.210 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.003 9.104 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.621 9.252 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.334 8.378 6.010 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.178 6.499 8.276 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.268 6.354 9.244 1.00 0.00 C ATOM 1430 C PRO A 97 -24.642 6.415 8.584 1.00 0.00 C ATOM 1431 O PRO A 97 -24.847 7.159 7.625 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.072 7.548 10.181 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.353 8.561 9.358 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.472 7.783 8.421 1.00 0.00 C ATOM 0 HA PRO A 97 -23.238 5.389 9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.028 7.933 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.493 7.270 11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.056 9.185 8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.762 9.227 9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.358 8.290 7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.471 7.647 8.830 1.00 0.00 H new ATOM 1442 N SER A 98 -25.578 5.628 9.104 1.00 0.00 N ATOM 1443 CA SER A 98 -26.932 5.590 8.562 1.00 0.00 C ATOM 1444 C SER A 98 -27.966 5.632 9.683 1.00 0.00 C ATOM 1445 O SER A 98 -28.134 4.664 10.424 1.00 0.00 O ATOM 1446 CB SER A 98 -27.130 4.332 7.716 1.00 0.00 C ATOM 1447 OG SER A 98 -26.957 3.161 8.495 1.00 0.00 O ATOM 0 H SER A 98 -25.424 5.008 9.899 1.00 0.00 H new ATOM 0 HA SER A 98 -27.070 6.468 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 98 -28.128 4.337 7.279 1.00 0.00 H new ATOM 0 HB3 SER A 98 -26.420 4.331 6.889 1.00 0.00 H new ATOM 0 HG SER A 98 -27.320 3.309 9.393 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.659 6.761 9.800 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.668 6.909 10.831 1.00 0.00 C ATOM 1455 C GLY A 99 -31.008 6.332 10.419 1.00 0.00 C ATOM 1456 O GLY A 99 -31.186 5.863 9.294 1.00 0.00 O ATOM 0 H GLY A 99 -28.539 7.576 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -29.328 6.415 11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -29.789 7.966 11.068 1.00 0.00 H new ATOM 1460 N PRO A 100 -31.979 6.360 11.344 1.00 0.00 N ATOM 1461 CA PRO A 100 -33.326 5.838 11.094 1.00 0.00 C ATOM 1462 C PRO A 100 -34.107 6.699 10.106 1.00 0.00 C ATOM 1463 O PRO A 100 -35.189 6.320 9.659 1.00 0.00 O ATOM 1464 CB PRO A 100 -33.984 5.878 12.475 1.00 0.00 C ATOM 1465 CG PRO A 100 -33.251 6.945 13.213 1.00 0.00 C ATOM 1466 CD PRO A 100 -31.837 6.903 12.705 1.00 0.00 C ATOM 0 HA PRO A 100 -33.302 4.844 10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -35.047 6.107 12.401 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -33.900 4.917 12.982 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -33.701 7.922 13.035 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -33.285 6.769 14.288 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -31.383 7.894 12.697 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -31.205 6.269 13.327 1.00 0.00 H new ATOM 1474 N SER A 101 -33.550 7.858 9.770 1.00 0.00 N ATOM 1475 CA SER A 101 -34.197 8.774 8.838 1.00 0.00 C ATOM 1476 C SER A 101 -34.022 8.299 7.399 1.00 0.00 C ATOM 1477 O SER A 101 -34.998 8.082 6.682 1.00 0.00 O ATOM 1478 CB SER A 101 -33.622 10.184 8.994 1.00 0.00 C ATOM 1479 OG SER A 101 -34.430 11.140 8.330 1.00 0.00 O ATOM 0 H SER A 101 -32.653 8.185 10.129 1.00 0.00 H new ATOM 0 HA SER A 101 -35.262 8.795 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 101 -33.550 10.436 10.052 1.00 0.00 H new ATOM 0 HB3 SER A 101 -32.610 10.214 8.590 1.00 0.00 H new ATOM 0 HG SER A 101 -34.043 12.033 8.446 1.00 0.00 H new ATOM 1485 N SER A 102 -32.769 8.138 6.984 1.00 0.00 N ATOM 1486 CA SER A 102 -32.464 7.691 5.629 1.00 0.00 C ATOM 1487 C SER A 102 -32.143 6.200 5.609 1.00 0.00 C ATOM 1488 O SER A 102 -31.047 5.784 5.985 1.00 0.00 O ATOM 1489 CB SER A 102 -31.288 8.486 5.060 1.00 0.00 C ATOM 1490 OG SER A 102 -31.081 8.182 3.692 1.00 0.00 O ATOM 0 H SER A 102 -31.949 8.310 7.566 1.00 0.00 H new ATOM 0 HA SER A 102 -33.343 7.864 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 102 -31.478 9.553 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 102 -30.385 8.261 5.627 1.00 0.00 H new ATOM 0 HG SER A 102 -30.325 8.704 3.352 1.00 0.00 H new ATOM 1496 N GLY A 103 -33.107 5.399 5.166 1.00 0.00 N ATOM 1497 CA GLY A 103 -32.908 3.962 5.104 1.00 0.00 C ATOM 1498 C GLY A 103 -32.614 3.478 3.698 1.00 0.00 C ATOM 1499 O GLY A 103 -33.208 3.956 2.732 1.00 0.00 O ATOM 0 H GLY A 103 -34.022 5.719 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -32.084 3.684 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -33.799 3.458 5.480 1.00 0.00 H new TER 1503 GLY A 103