USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 2 SER OG : rot 22:sc= 0.605 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0909 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.514 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.8) USER MOD Single : A 28 THR OG1 : rot -20:sc= 0.586 USER MOD Single : A 30 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.2) USER MOD Single : A 32 SER OG : rot 91:sc= 0.0842 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -6.91! C(o=-6.9!,f=-11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.523 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.005) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.538 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.128 K(o=0.13,f=-0.52) USER MOD Single : A 80 SER OG : rot 160:sc= 0 USER MOD Single : A 87 SER OG : rot 173:sc= 0.672 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 39:sc= 0.724 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.885 -22.167 1.357 1.00 0.00 N ATOM 2 CA GLY A 1 -5.515 -22.509 1.693 1.00 0.00 C ATOM 3 C GLY A 1 -4.888 -23.451 0.685 1.00 0.00 C ATOM 4 O GLY A 1 -5.547 -23.892 -0.256 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.957 -21.142 1.194 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.168 -22.676 0.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.513 -22.438 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.920 -21.597 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.491 -22.970 2.680 1.00 0.00 H new ATOM 8 N SER A 2 -3.610 -23.759 0.881 1.00 0.00 N ATOM 9 CA SER A 2 -2.891 -24.650 -0.023 1.00 0.00 C ATOM 10 C SER A 2 -2.463 -25.924 0.698 1.00 0.00 C ATOM 11 O SER A 2 -1.687 -25.880 1.653 1.00 0.00 O ATOM 12 CB SER A 2 -1.665 -23.942 -0.603 1.00 0.00 C ATOM 13 OG SER A 2 -0.730 -23.625 0.414 1.00 0.00 O ATOM 0 H SER A 2 -3.051 -23.405 1.657 1.00 0.00 H new ATOM 0 HA SER A 2 -3.563 -24.922 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.192 -24.580 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.975 -23.030 -1.113 1.00 0.00 H new ATOM 0 HG SER A 2 -0.881 -24.205 1.189 1.00 0.00 H new ATOM 19 N SER A 3 -2.975 -27.060 0.234 1.00 0.00 N ATOM 20 CA SER A 3 -2.649 -28.347 0.836 1.00 0.00 C ATOM 21 C SER A 3 -1.139 -28.554 0.895 1.00 0.00 C ATOM 22 O SER A 3 -0.571 -28.763 1.966 1.00 0.00 O ATOM 23 CB SER A 3 -3.300 -29.483 0.045 1.00 0.00 C ATOM 24 OG SER A 3 -3.479 -30.632 0.855 1.00 0.00 O ATOM 0 H SER A 3 -3.617 -27.115 -0.557 1.00 0.00 H new ATOM 0 HA SER A 3 -3.038 -28.352 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.264 -29.154 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.679 -29.734 -0.815 1.00 0.00 H new ATOM 0 HG SER A 3 -3.898 -31.343 0.326 1.00 0.00 H new ATOM 30 N GLY A 4 -0.494 -28.493 -0.266 1.00 0.00 N ATOM 31 CA GLY A 4 0.945 -28.675 -0.326 1.00 0.00 C ATOM 32 C GLY A 4 1.566 -27.991 -1.528 1.00 0.00 C ATOM 33 O GLY A 4 1.308 -28.371 -2.670 1.00 0.00 O ATOM 0 H GLY A 4 -0.942 -28.321 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.396 -28.282 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.172 -29.740 -0.360 1.00 0.00 H new ATOM 37 N SER A 5 2.386 -26.977 -1.271 1.00 0.00 N ATOM 38 CA SER A 5 3.042 -26.234 -2.342 1.00 0.00 C ATOM 39 C SER A 5 4.498 -25.947 -1.990 1.00 0.00 C ATOM 40 O SER A 5 4.874 -25.933 -0.818 1.00 0.00 O ATOM 41 CB SER A 5 2.301 -24.923 -2.609 1.00 0.00 C ATOM 42 OG SER A 5 2.264 -24.112 -1.447 1.00 0.00 O ATOM 0 H SER A 5 2.612 -26.651 -0.331 1.00 0.00 H new ATOM 0 HA SER A 5 3.019 -26.846 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.792 -24.382 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.285 -25.137 -2.939 1.00 0.00 H new ATOM 0 HG SER A 5 1.787 -23.279 -1.644 1.00 0.00 H new ATOM 48 N SER A 6 5.314 -25.717 -3.014 1.00 0.00 N ATOM 49 CA SER A 6 6.730 -25.434 -2.815 1.00 0.00 C ATOM 50 C SER A 6 7.066 -24.011 -3.252 1.00 0.00 C ATOM 51 O SER A 6 6.970 -23.673 -4.431 1.00 0.00 O ATOM 52 CB SER A 6 7.587 -26.434 -3.593 1.00 0.00 C ATOM 53 OG SER A 6 7.283 -26.398 -4.977 1.00 0.00 O ATOM 0 H SER A 6 5.018 -25.721 -3.990 1.00 0.00 H new ATOM 0 HA SER A 6 6.948 -25.531 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.643 -26.207 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.419 -27.439 -3.207 1.00 0.00 H new ATOM 0 HG SER A 6 7.125 -25.471 -5.253 1.00 0.00 H new ATOM 59 N GLY A 7 7.460 -23.181 -2.292 1.00 0.00 N ATOM 60 CA GLY A 7 7.804 -21.804 -2.596 1.00 0.00 C ATOM 61 C GLY A 7 7.398 -20.847 -1.492 1.00 0.00 C ATOM 62 O GLY A 7 6.279 -20.336 -1.465 1.00 0.00 O ATOM 0 H GLY A 7 7.547 -23.437 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.879 -21.729 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.318 -21.508 -3.526 1.00 0.00 H new ATOM 66 N PRO A 8 8.323 -20.595 -0.554 1.00 0.00 N ATOM 67 CA PRO A 8 8.078 -19.692 0.575 1.00 0.00 C ATOM 68 C PRO A 8 7.978 -18.234 0.141 1.00 0.00 C ATOM 69 O PRO A 8 8.960 -17.641 -0.307 1.00 0.00 O ATOM 70 CB PRO A 8 9.304 -19.902 1.469 1.00 0.00 C ATOM 71 CG PRO A 8 10.373 -20.366 0.541 1.00 0.00 C ATOM 72 CD PRO A 8 9.678 -21.169 -0.523 1.00 0.00 C ATOM 0 HA PRO A 8 7.131 -19.906 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.590 -18.978 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.106 -20.640 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.906 -19.521 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.111 -20.971 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.177 -21.074 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.659 -22.231 -0.277 1.00 0.00 H new ATOM 80 N LEU A 9 6.788 -17.661 0.278 1.00 0.00 N ATOM 81 CA LEU A 9 6.559 -16.271 -0.100 1.00 0.00 C ATOM 82 C LEU A 9 5.926 -15.492 1.048 1.00 0.00 C ATOM 83 O LEU A 9 4.708 -15.328 1.122 1.00 0.00 O ATOM 84 CB LEU A 9 5.662 -16.198 -1.337 1.00 0.00 C ATOM 85 CG LEU A 9 5.692 -14.880 -2.111 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.097 -14.590 -2.617 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.704 -14.919 -3.267 1.00 0.00 C ATOM 0 H LEU A 9 5.966 -18.138 0.648 1.00 0.00 H new ATOM 0 HA LEU A 9 7.524 -15.820 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.947 -17.001 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.635 -16.392 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 9 5.399 -14.077 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.099 -13.648 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.781 -14.519 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.419 -15.395 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.738 -13.973 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.967 -15.733 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.698 -15.080 -2.880 1.00 0.00 H new ATOM 99 N PRO A 10 6.771 -14.998 1.966 1.00 0.00 N ATOM 100 CA PRO A 10 6.316 -14.225 3.125 1.00 0.00 C ATOM 101 C PRO A 10 5.783 -12.851 2.733 1.00 0.00 C ATOM 102 O PRO A 10 6.529 -11.963 2.320 1.00 0.00 O ATOM 103 CB PRO A 10 7.581 -14.085 3.976 1.00 0.00 C ATOM 104 CG PRO A 10 8.705 -14.203 3.006 1.00 0.00 C ATOM 105 CD PRO A 10 8.235 -15.155 1.941 1.00 0.00 C ATOM 0 HA PRO A 10 5.490 -14.713 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.605 -13.127 4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.633 -14.862 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.955 -13.232 2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.604 -14.577 3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.650 -14.903 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.533 -16.181 2.159 1.00 0.00 H new ATOM 113 N PRO A 11 4.461 -12.669 2.866 1.00 0.00 N ATOM 114 CA PRO A 11 3.798 -11.404 2.532 1.00 0.00 C ATOM 115 C PRO A 11 4.150 -10.289 3.511 1.00 0.00 C ATOM 116 O PRO A 11 4.762 -10.517 4.555 1.00 0.00 O ATOM 117 CB PRO A 11 2.310 -11.748 2.625 1.00 0.00 C ATOM 118 CG PRO A 11 2.245 -12.899 3.568 1.00 0.00 C ATOM 119 CD PRO A 11 3.510 -13.682 3.354 1.00 0.00 C ATOM 0 HA PRO A 11 4.102 -11.030 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.730 -10.902 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.903 -12.013 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.169 -12.555 4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.367 -13.515 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.856 -14.146 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.369 -14.483 2.628 1.00 0.00 H new ATOM 127 N PRO A 12 3.753 -9.054 3.170 1.00 0.00 N ATOM 128 CA PRO A 12 4.015 -7.879 4.007 1.00 0.00 C ATOM 129 C PRO A 12 3.198 -7.892 5.295 1.00 0.00 C ATOM 130 O PRO A 12 1.967 -7.873 5.261 1.00 0.00 O ATOM 131 CB PRO A 12 3.591 -6.708 3.117 1.00 0.00 C ATOM 132 CG PRO A 12 2.589 -7.288 2.179 1.00 0.00 C ATOM 133 CD PRO A 12 3.019 -8.709 1.942 1.00 0.00 C ATOM 0 HA PRO A 12 5.055 -7.832 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.160 -5.899 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.442 -6.291 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.587 -7.249 2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.559 -6.728 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.164 -9.367 1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.652 -8.795 1.058 1.00 0.00 H new ATOM 141 N ARG A 13 3.890 -7.923 6.429 1.00 0.00 N ATOM 142 CA ARG A 13 3.229 -7.938 7.728 1.00 0.00 C ATOM 143 C ARG A 13 3.514 -6.653 8.499 1.00 0.00 C ATOM 144 O ARG A 13 2.596 -5.990 8.981 1.00 0.00 O ATOM 145 CB ARG A 13 3.688 -9.148 8.544 1.00 0.00 C ATOM 146 CG ARG A 13 5.197 -9.230 8.715 1.00 0.00 C ATOM 147 CD ARG A 13 5.657 -10.664 8.923 1.00 0.00 C ATOM 148 NE ARG A 13 7.093 -10.815 8.705 1.00 0.00 N ATOM 149 CZ ARG A 13 7.748 -11.956 8.890 1.00 0.00 C ATOM 150 NH1 ARG A 13 7.099 -13.039 9.293 1.00 0.00 N ATOM 151 NH2 ARG A 13 9.056 -12.014 8.670 1.00 0.00 N ATOM 0 H ARG A 13 4.909 -7.938 6.474 1.00 0.00 H new ATOM 0 HA ARG A 13 2.154 -8.009 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.221 -9.110 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.336 -10.058 8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.687 -8.814 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.501 -8.622 9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.409 -10.981 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.116 -11.321 8.242 1.00 0.00 H new ATOM 0 HE ARG A 13 7.622 -10.000 8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.094 -12.998 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.605 -13.914 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.558 -11.182 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.559 -12.890 8.812 1.00 0.00 H new ATOM 165 N ALA A 14 4.793 -6.308 8.611 1.00 0.00 N ATOM 166 CA ALA A 14 5.199 -5.102 9.322 1.00 0.00 C ATOM 167 C ALA A 14 4.916 -3.854 8.493 1.00 0.00 C ATOM 168 O ALA A 14 5.825 -3.084 8.181 1.00 0.00 O ATOM 169 CB ALA A 14 6.675 -5.174 9.683 1.00 0.00 C ATOM 0 H ALA A 14 5.565 -6.847 8.219 1.00 0.00 H new ATOM 0 HA ALA A 14 4.614 -5.037 10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.964 -4.267 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.852 -6.040 10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.268 -5.267 8.773 1.00 0.00 H new ATOM 175 N LEU A 15 3.650 -3.661 8.137 1.00 0.00 N ATOM 176 CA LEU A 15 3.247 -2.506 7.342 1.00 0.00 C ATOM 177 C LEU A 15 3.211 -1.243 8.196 1.00 0.00 C ATOM 178 O LEU A 15 2.362 -1.098 9.076 1.00 0.00 O ATOM 179 CB LEU A 15 1.874 -2.749 6.713 1.00 0.00 C ATOM 180 CG LEU A 15 1.866 -3.540 5.405 1.00 0.00 C ATOM 181 CD1 LEU A 15 2.043 -5.025 5.678 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.577 -3.287 4.636 1.00 0.00 C ATOM 0 H LEU A 15 2.886 -4.289 8.386 1.00 0.00 H new ATOM 0 HA LEU A 15 3.983 -2.366 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.253 -3.276 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.403 -1.783 6.533 1.00 0.00 H new ATOM 0 HG LEU A 15 2.703 -3.202 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.035 -5.572 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.993 -5.191 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.228 -5.379 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.589 -3.858 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.275 -3.597 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.492 -2.225 4.407 1.00 0.00 H new ATOM 194 N THR A 16 4.139 -0.328 7.930 1.00 0.00 N ATOM 195 CA THR A 16 4.213 0.924 8.673 1.00 0.00 C ATOM 196 C THR A 16 4.092 2.124 7.742 1.00 0.00 C ATOM 197 O THR A 16 4.649 2.129 6.643 1.00 0.00 O ATOM 198 CB THR A 16 5.531 1.031 9.462 1.00 0.00 C ATOM 199 OG1 THR A 16 5.657 -0.077 10.360 1.00 0.00 O ATOM 200 CG2 THR A 16 5.589 2.334 10.246 1.00 0.00 C ATOM 0 H THR A 16 4.850 -0.431 7.205 1.00 0.00 H new ATOM 0 HA THR A 16 3.378 0.926 9.373 1.00 0.00 H new ATOM 0 HB THR A 16 6.356 1.016 8.750 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.499 -0.002 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.529 2.387 10.795 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.523 3.176 9.557 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.756 2.374 10.948 1.00 0.00 H new ATOM 208 N LEU A 17 3.362 3.141 8.187 1.00 0.00 N ATOM 209 CA LEU A 17 3.168 4.349 7.392 1.00 0.00 C ATOM 210 C LEU A 17 4.395 5.253 7.468 1.00 0.00 C ATOM 211 O LEU A 17 4.729 5.775 8.531 1.00 0.00 O ATOM 212 CB LEU A 17 1.931 5.108 7.875 1.00 0.00 C ATOM 213 CG LEU A 17 1.183 5.917 6.815 1.00 0.00 C ATOM 214 CD1 LEU A 17 -0.291 6.027 7.169 1.00 0.00 C ATOM 215 CD2 LEU A 17 1.802 7.299 6.663 1.00 0.00 C ATOM 0 H LEU A 17 2.895 3.153 9.094 1.00 0.00 H new ATOM 0 HA LEU A 17 3.022 4.052 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.237 4.390 8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.234 5.785 8.673 1.00 0.00 H new ATOM 0 HG LEU A 17 1.268 5.396 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.807 6.606 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.727 5.030 7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.398 6.524 8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.257 7.860 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.749 7.828 7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.845 7.199 6.361 1.00 0.00 H new ATOM 227 N ALA A 18 5.061 5.434 6.332 1.00 0.00 N ATOM 228 CA ALA A 18 6.248 6.278 6.268 1.00 0.00 C ATOM 229 C ALA A 18 5.915 7.721 6.633 1.00 0.00 C ATOM 230 O ALA A 18 6.576 8.325 7.477 1.00 0.00 O ATOM 231 CB ALA A 18 6.869 6.212 4.881 1.00 0.00 C ATOM 0 H ALA A 18 4.799 5.007 5.443 1.00 0.00 H new ATOM 0 HA ALA A 18 6.969 5.904 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.754 6.847 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.152 5.183 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.146 6.558 4.142 1.00 0.00 H new ATOM 237 N ALA A 19 4.888 8.267 5.991 1.00 0.00 N ATOM 238 CA ALA A 19 4.468 9.638 6.250 1.00 0.00 C ATOM 239 C ALA A 19 3.016 9.855 5.834 1.00 0.00 C ATOM 240 O ALA A 19 2.571 9.345 4.806 1.00 0.00 O ATOM 241 CB ALA A 19 5.379 10.616 5.522 1.00 0.00 C ATOM 0 H ALA A 19 4.332 7.781 5.288 1.00 0.00 H new ATOM 0 HA ALA A 19 4.543 9.818 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.053 11.636 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.404 10.486 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.333 10.427 4.450 1.00 0.00 H new ATOM 247 N VAL A 20 2.282 10.616 6.640 1.00 0.00 N ATOM 248 CA VAL A 20 0.881 10.901 6.355 1.00 0.00 C ATOM 249 C VAL A 20 0.702 12.328 5.849 1.00 0.00 C ATOM 250 O VAL A 20 0.811 13.288 6.612 1.00 0.00 O ATOM 251 CB VAL A 20 0.002 10.697 7.604 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.472 11.593 8.740 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.459 10.962 7.275 1.00 0.00 C ATOM 0 H VAL A 20 2.634 11.046 7.495 1.00 0.00 H new ATOM 0 HA VAL A 20 0.567 10.202 5.580 1.00 0.00 H new ATOM 0 HB VAL A 20 0.096 9.661 7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.161 11.435 9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.505 11.351 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.409 12.636 8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.066 10.813 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.573 11.988 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.787 10.275 6.495 1.00 0.00 H new ATOM 263 N THR A 21 0.427 12.460 4.555 1.00 0.00 N ATOM 264 CA THR A 21 0.233 13.770 3.945 1.00 0.00 C ATOM 265 C THR A 21 -1.133 13.868 3.277 1.00 0.00 C ATOM 266 O THR A 21 -1.592 12.943 2.607 1.00 0.00 O ATOM 267 CB THR A 21 1.325 14.070 2.901 1.00 0.00 C ATOM 268 OG1 THR A 21 2.536 13.390 3.250 1.00 0.00 O ATOM 269 CG2 THR A 21 1.587 15.566 2.808 1.00 0.00 C ATOM 0 H THR A 21 0.334 11.676 3.909 1.00 0.00 H new ATOM 0 HA THR A 21 0.296 14.505 4.747 1.00 0.00 H new ATOM 0 HB THR A 21 0.977 13.716 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.225 13.584 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.362 15.754 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.671 16.078 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.917 15.939 3.778 1.00 0.00 H new ATOM 277 N PRO A 22 -1.802 15.017 3.461 1.00 0.00 N ATOM 278 CA PRO A 22 -3.125 15.264 2.882 1.00 0.00 C ATOM 279 C PRO A 22 -3.075 15.422 1.366 1.00 0.00 C ATOM 280 O PRO A 22 -4.096 15.670 0.724 1.00 0.00 O ATOM 281 CB PRO A 22 -3.562 16.574 3.542 1.00 0.00 C ATOM 282 CG PRO A 22 -2.290 17.257 3.907 1.00 0.00 C ATOM 283 CD PRO A 22 -1.316 16.163 4.247 1.00 0.00 C ATOM 0 HA PRO A 22 -3.808 14.433 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.156 17.182 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.178 16.388 4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.922 17.864 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.436 17.927 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.296 16.434 3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.313 15.945 5.315 1.00 0.00 H new ATOM 291 N ARG A 23 -1.881 15.277 0.800 1.00 0.00 N ATOM 292 CA ARG A 23 -1.699 15.405 -0.641 1.00 0.00 C ATOM 293 C ARG A 23 -1.032 14.159 -1.217 1.00 0.00 C ATOM 294 O ARG A 23 -1.108 13.899 -2.418 1.00 0.00 O ATOM 295 CB ARG A 23 -0.857 16.641 -0.962 1.00 0.00 C ATOM 296 CG ARG A 23 0.155 16.987 0.118 1.00 0.00 C ATOM 297 CD ARG A 23 1.045 18.146 -0.302 1.00 0.00 C ATOM 298 NE ARG A 23 1.874 17.809 -1.456 1.00 0.00 N ATOM 299 CZ ARG A 23 2.709 18.665 -2.036 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.824 19.901 -1.572 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.430 18.283 -3.082 1.00 0.00 N ATOM 0 H ARG A 23 -1.026 15.071 1.317 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.682 15.515 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.330 16.477 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.520 17.493 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.368 17.244 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.771 16.114 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.426 19.011 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.685 18.433 0.533 1.00 0.00 H new ATOM 0 HE ARG A 23 1.809 16.865 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.271 20.197 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.466 20.556 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.344 17.332 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.071 18.940 -3.527 1.00 0.00 H new ATOM 315 N THR A 24 -0.377 13.391 -0.352 1.00 0.00 N ATOM 316 CA THR A 24 0.305 12.174 -0.774 1.00 0.00 C ATOM 317 C THR A 24 0.330 11.141 0.347 1.00 0.00 C ATOM 318 O THR A 24 0.284 11.489 1.527 1.00 0.00 O ATOM 319 CB THR A 24 1.750 12.465 -1.220 1.00 0.00 C ATOM 320 OG1 THR A 24 2.527 12.912 -0.103 1.00 0.00 O ATOM 321 CG2 THR A 24 1.776 13.519 -2.316 1.00 0.00 C ATOM 0 H THR A 24 -0.304 13.591 0.646 1.00 0.00 H new ATOM 0 HA THR A 24 -0.255 11.775 -1.620 1.00 0.00 H new ATOM 0 HB THR A 24 2.178 11.543 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.445 13.093 -0.395 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.807 13.708 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.208 13.164 -3.176 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.331 14.442 -1.944 1.00 0.00 H new ATOM 329 N VAL A 25 0.403 9.868 -0.029 1.00 0.00 N ATOM 330 CA VAL A 25 0.436 8.784 0.945 1.00 0.00 C ATOM 331 C VAL A 25 1.630 7.867 0.706 1.00 0.00 C ATOM 332 O VAL A 25 1.808 7.334 -0.389 1.00 0.00 O ATOM 333 CB VAL A 25 -0.857 7.947 0.898 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.697 6.670 1.708 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.038 8.764 1.401 1.00 0.00 C ATOM 0 H VAL A 25 0.440 9.562 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 25 0.526 9.245 1.929 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.052 7.669 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.620 6.092 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.121 6.079 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.477 6.922 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.943 8.158 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.854 9.074 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.164 9.646 0.773 1.00 0.00 H new ATOM 345 N HIS A 26 2.446 7.686 1.740 1.00 0.00 N ATOM 346 CA HIS A 26 3.624 6.832 1.644 1.00 0.00 C ATOM 347 C HIS A 26 3.501 5.629 2.574 1.00 0.00 C ATOM 348 O HIS A 26 3.186 5.774 3.756 1.00 0.00 O ATOM 349 CB HIS A 26 4.886 7.626 1.983 1.00 0.00 C ATOM 350 CG HIS A 26 6.145 7.001 1.466 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.400 7.360 1.909 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.337 6.034 0.539 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.310 6.642 1.275 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.691 5.829 0.439 1.00 0.00 N ATOM 0 H HIS A 26 2.313 8.119 2.654 1.00 0.00 H new ATOM 0 HA HIS A 26 3.696 6.470 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.794 8.631 1.572 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.960 7.730 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.568 5.519 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.379 6.709 1.417 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.145 5.158 -0.180 1.00 0.00 H new ATOM 363 N LEU A 27 3.750 4.441 2.033 1.00 0.00 N ATOM 364 CA LEU A 27 3.666 3.212 2.815 1.00 0.00 C ATOM 365 C LEU A 27 4.936 2.381 2.661 1.00 0.00 C ATOM 366 O LEU A 27 5.576 2.393 1.609 1.00 0.00 O ATOM 367 CB LEU A 27 2.450 2.391 2.381 1.00 0.00 C ATOM 368 CG LEU A 27 1.931 1.372 3.397 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.223 2.076 4.544 1.00 0.00 C ATOM 370 CD2 LEU A 27 0.999 0.375 2.724 1.00 0.00 C ATOM 0 H LEU A 27 4.011 4.303 1.057 1.00 0.00 H new ATOM 0 HA LEU A 27 3.557 3.485 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.640 3.079 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.703 1.862 1.462 1.00 0.00 H new ATOM 0 HG LEU A 27 2.782 0.826 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.860 1.336 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.920 2.750 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.381 2.648 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.639 -0.342 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.151 0.905 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.538 -0.153 1.937 1.00 0.00 H new ATOM 382 N THR A 28 5.295 1.658 3.717 1.00 0.00 N ATOM 383 CA THR A 28 6.487 0.820 3.700 1.00 0.00 C ATOM 384 C THR A 28 6.240 -0.503 4.415 1.00 0.00 C ATOM 385 O THR A 28 5.647 -0.536 5.493 1.00 0.00 O ATOM 386 CB THR A 28 7.683 1.532 4.361 1.00 0.00 C ATOM 387 OG1 THR A 28 7.365 1.868 5.716 1.00 0.00 O ATOM 388 CG2 THR A 28 8.054 2.792 3.595 1.00 0.00 C ATOM 0 H THR A 28 4.777 1.636 4.595 1.00 0.00 H new ATOM 0 HA THR A 28 6.722 0.626 2.653 1.00 0.00 H new ATOM 0 HB THR A 28 8.535 0.853 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.392 1.877 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.901 3.277 4.081 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.324 2.530 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.204 3.474 3.582 1.00 0.00 H new ATOM 396 N TRP A 29 6.697 -1.592 3.808 1.00 0.00 N ATOM 397 CA TRP A 29 6.525 -2.919 4.387 1.00 0.00 C ATOM 398 C TRP A 29 7.815 -3.728 4.289 1.00 0.00 C ATOM 399 O TRP A 29 8.817 -3.250 3.759 1.00 0.00 O ATOM 400 CB TRP A 29 5.388 -3.662 3.684 1.00 0.00 C ATOM 401 CG TRP A 29 5.577 -3.771 2.201 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.353 -4.679 1.538 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.981 -2.941 1.198 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.275 -4.463 0.183 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.439 -3.403 -0.051 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.104 -1.854 1.233 1.00 0.00 C ATOM 407 CZ2 TRP A 29 5.049 -2.815 -1.251 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.718 -1.271 0.042 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.189 -1.752 -1.187 1.00 0.00 C ATOM 0 H TRP A 29 7.190 -1.582 2.915 1.00 0.00 H new ATOM 0 HA TRP A 29 6.273 -2.798 5.441 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.302 -4.663 4.107 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.448 -3.148 3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.941 -5.453 2.009 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.761 -5.004 -0.532 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.734 -1.476 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.412 -3.184 -2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.041 -0.430 0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.867 -1.275 -2.101 1.00 0.00 H new ATOM 420 N GLN A 30 7.781 -4.953 4.802 1.00 0.00 N ATOM 421 CA GLN A 30 8.948 -5.826 4.771 1.00 0.00 C ATOM 422 C GLN A 30 9.070 -6.524 3.421 1.00 0.00 C ATOM 423 O GLN A 30 8.111 -7.096 2.901 1.00 0.00 O ATOM 424 CB GLN A 30 8.863 -6.866 5.890 1.00 0.00 C ATOM 425 CG GLN A 30 9.347 -6.352 7.236 1.00 0.00 C ATOM 426 CD GLN A 30 10.856 -6.399 7.371 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.567 -5.554 6.826 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.355 -7.391 8.100 1.00 0.00 N ATOM 0 H GLN A 30 6.958 -5.363 5.244 1.00 0.00 H new ATOM 0 HA GLN A 30 9.835 -5.211 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.830 -7.199 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.454 -7.738 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.006 -5.326 7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.896 -6.946 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.729 -8.070 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.364 -7.474 8.226 1.00 0.00 H new ATOM 437 N PRO A 31 10.277 -6.478 2.838 1.00 0.00 N ATOM 438 CA PRO A 31 10.553 -7.102 1.540 1.00 0.00 C ATOM 439 C PRO A 31 10.539 -8.625 1.613 1.00 0.00 C ATOM 440 O PRO A 31 11.127 -9.218 2.517 1.00 0.00 O ATOM 441 CB PRO A 31 11.957 -6.596 1.195 1.00 0.00 C ATOM 442 CG PRO A 31 12.582 -6.288 2.512 1.00 0.00 C ATOM 443 CD PRO A 31 11.465 -5.815 3.400 1.00 0.00 C ATOM 0 HA PRO A 31 9.798 -6.847 0.797 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.527 -7.350 0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.914 -5.711 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.066 -7.171 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.350 -5.522 2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.630 -6.100 4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.367 -4.730 3.379 1.00 0.00 H new ATOM 451 N SER A 32 9.863 -9.252 0.656 1.00 0.00 N ATOM 452 CA SER A 32 9.769 -10.707 0.615 1.00 0.00 C ATOM 453 C SER A 32 11.039 -11.316 0.029 1.00 0.00 C ATOM 454 O SER A 32 11.690 -10.718 -0.827 1.00 0.00 O ATOM 455 CB SER A 32 8.555 -11.137 -0.211 1.00 0.00 C ATOM 456 OG SER A 32 8.356 -12.538 -0.134 1.00 0.00 O ATOM 0 H SER A 32 9.372 -8.776 -0.101 1.00 0.00 H new ATOM 0 HA SER A 32 9.651 -11.069 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.665 -10.620 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.696 -10.843 -1.251 1.00 0.00 H new ATOM 0 HG SER A 32 7.761 -12.743 0.617 1.00 0.00 H new ATOM 462 N ALA A 33 11.384 -12.512 0.496 1.00 0.00 N ATOM 463 CA ALA A 33 12.573 -13.205 0.018 1.00 0.00 C ATOM 464 C ALA A 33 12.235 -14.148 -1.131 1.00 0.00 C ATOM 465 O ALA A 33 12.310 -15.368 -0.989 1.00 0.00 O ATOM 466 CB ALA A 33 13.231 -13.971 1.156 1.00 0.00 C ATOM 0 H ALA A 33 10.856 -13.021 1.205 1.00 0.00 H new ATOM 0 HA ALA A 33 13.273 -12.457 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.118 -14.484 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.518 -13.276 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.529 -14.703 1.555 1.00 0.00 H new ATOM 472 N GLY A 34 11.861 -13.574 -2.271 1.00 0.00 N ATOM 473 CA GLY A 34 11.516 -14.379 -3.428 1.00 0.00 C ATOM 474 C GLY A 34 10.824 -13.573 -4.510 1.00 0.00 C ATOM 475 O GLY A 34 11.268 -13.553 -5.657 1.00 0.00 O ATOM 0 H GLY A 34 11.791 -12.566 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.421 -14.829 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.866 -15.197 -3.117 1.00 0.00 H new ATOM 479 N ALA A 35 9.733 -12.909 -4.144 1.00 0.00 N ATOM 480 CA ALA A 35 8.979 -12.097 -5.091 1.00 0.00 C ATOM 481 C ALA A 35 9.867 -11.038 -5.735 1.00 0.00 C ATOM 482 O ALA A 35 10.576 -10.304 -5.045 1.00 0.00 O ATOM 483 CB ALA A 35 7.791 -11.445 -4.399 1.00 0.00 C ATOM 0 H ALA A 35 9.351 -12.917 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 35 8.610 -12.752 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.237 -10.842 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.137 -12.217 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.146 -10.808 -3.589 1.00 0.00 H new ATOM 489 N THR A 36 9.824 -10.962 -7.062 1.00 0.00 N ATOM 490 CA THR A 36 10.625 -9.993 -7.798 1.00 0.00 C ATOM 491 C THR A 36 9.914 -8.648 -7.892 1.00 0.00 C ATOM 492 O THR A 36 10.555 -7.600 -7.978 1.00 0.00 O ATOM 493 CB THR A 36 10.943 -10.493 -9.220 1.00 0.00 C ATOM 494 OG1 THR A 36 11.488 -9.425 -10.004 1.00 0.00 O ATOM 495 CG2 THR A 36 9.693 -11.037 -9.895 1.00 0.00 C ATOM 0 H THR A 36 9.242 -11.561 -7.648 1.00 0.00 H new ATOM 0 HA THR A 36 11.557 -9.869 -7.246 1.00 0.00 H new ATOM 0 HB THR A 36 11.674 -11.298 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.689 -9.751 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.943 -11.384 -10.898 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.297 -11.868 -9.312 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.943 -10.249 -9.960 1.00 0.00 H new ATOM 503 N HIS A 37 8.585 -8.684 -7.873 1.00 0.00 N ATOM 504 CA HIS A 37 7.786 -7.466 -7.955 1.00 0.00 C ATOM 505 C HIS A 37 6.558 -7.562 -7.055 1.00 0.00 C ATOM 506 O HIS A 37 6.114 -8.656 -6.708 1.00 0.00 O ATOM 507 CB HIS A 37 7.356 -7.209 -9.399 1.00 0.00 C ATOM 508 CG HIS A 37 6.444 -8.261 -9.949 1.00 0.00 C ATOM 509 ND1 HIS A 37 6.901 -9.402 -10.574 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.093 -8.342 -9.964 1.00 0.00 C ATOM 511 CE1 HIS A 37 5.871 -10.138 -10.951 1.00 0.00 C ATOM 512 NE2 HIS A 37 4.762 -9.517 -10.592 1.00 0.00 N ATOM 0 H HIS A 37 8.039 -9.543 -7.802 1.00 0.00 H new ATOM 0 HA HIS A 37 8.401 -6.633 -7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.856 -6.242 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.244 -7.145 -10.028 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.404 -7.617 -9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.926 -11.086 -11.465 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.814 -9.855 -10.755 1.00 0.00 H new ATOM 521 N TYR A 38 6.014 -6.409 -6.680 1.00 0.00 N ATOM 522 CA TYR A 38 4.839 -6.363 -5.818 1.00 0.00 C ATOM 523 C TYR A 38 3.711 -5.575 -6.478 1.00 0.00 C ATOM 524 O TYR A 38 3.951 -4.593 -7.181 1.00 0.00 O ATOM 525 CB TYR A 38 5.194 -5.734 -4.470 1.00 0.00 C ATOM 526 CG TYR A 38 6.568 -6.115 -3.967 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.752 -7.242 -3.175 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.683 -5.348 -4.283 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.005 -7.594 -2.713 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.940 -5.693 -3.827 1.00 0.00 C ATOM 531 CZ TYR A 38 9.096 -6.817 -3.042 1.00 0.00 C ATOM 532 OH TYR A 38 10.347 -7.163 -2.584 1.00 0.00 O ATOM 0 H TYR A 38 6.368 -5.494 -6.960 1.00 0.00 H new ATOM 0 HA TYR A 38 4.498 -7.385 -5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.137 -4.649 -4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.450 -6.033 -3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.900 -7.853 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.564 -4.467 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.130 -8.473 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.796 -5.087 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 38 11.005 -6.512 -2.907 1.00 0.00 H new ATOM 542 N LEU A 39 2.479 -6.014 -6.245 1.00 0.00 N ATOM 543 CA LEU A 39 1.311 -5.351 -6.815 1.00 0.00 C ATOM 544 C LEU A 39 0.557 -4.563 -5.749 1.00 0.00 C ATOM 545 O LEU A 39 0.061 -5.131 -4.776 1.00 0.00 O ATOM 546 CB LEU A 39 0.379 -6.380 -7.458 1.00 0.00 C ATOM 547 CG LEU A 39 -0.692 -5.822 -8.397 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.405 -4.644 -7.752 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.075 -5.413 -9.726 1.00 0.00 C ATOM 0 H LEU A 39 2.263 -6.825 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 39 1.657 -4.655 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.987 -7.093 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.117 -6.937 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.426 -6.605 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.163 -4.260 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.881 -4.969 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.683 -3.858 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.851 -5.018 -10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.681 -4.646 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.389 -6.281 -10.194 1.00 0.00 H new ATOM 561 N VAL A 40 0.474 -3.250 -5.939 1.00 0.00 N ATOM 562 CA VAL A 40 -0.222 -2.383 -4.995 1.00 0.00 C ATOM 563 C VAL A 40 -1.544 -1.891 -5.573 1.00 0.00 C ATOM 564 O VAL A 40 -1.565 -1.088 -6.505 1.00 0.00 O ATOM 565 CB VAL A 40 0.641 -1.167 -4.609 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.123 -0.248 -3.667 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.949 -1.621 -3.979 1.00 0.00 C ATOM 0 H VAL A 40 0.880 -2.763 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.418 -2.978 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 40 0.875 -0.607 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.502 0.606 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.030 0.104 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.389 -0.794 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.546 -0.749 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.738 -2.204 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.501 -2.236 -4.690 1.00 0.00 H new ATOM 577 N ARG A 41 -2.646 -2.379 -5.013 1.00 0.00 N ATOM 578 CA ARG A 41 -3.974 -1.990 -5.473 1.00 0.00 C ATOM 579 C ARG A 41 -4.533 -0.854 -4.620 1.00 0.00 C ATOM 580 O ARG A 41 -4.821 -1.038 -3.437 1.00 0.00 O ATOM 581 CB ARG A 41 -4.923 -3.188 -5.431 1.00 0.00 C ATOM 582 CG ARG A 41 -4.913 -4.017 -6.705 1.00 0.00 C ATOM 583 CD ARG A 41 -5.923 -5.153 -6.639 1.00 0.00 C ATOM 584 NE ARG A 41 -6.192 -5.723 -7.956 1.00 0.00 N ATOM 585 CZ ARG A 41 -5.366 -6.555 -8.580 1.00 0.00 C ATOM 586 NH1 ARG A 41 -4.224 -6.912 -8.010 1.00 0.00 N ATOM 587 NH2 ARG A 41 -5.681 -7.032 -9.778 1.00 0.00 N ATOM 0 H ARG A 41 -2.646 -3.045 -4.240 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.887 -1.641 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.652 -3.826 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.937 -2.832 -5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.139 -3.377 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.915 -4.425 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.549 -5.933 -5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.854 -4.786 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.062 -5.468 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.978 -6.548 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.592 -7.551 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.559 -6.760 -10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.045 -7.671 -10.256 1.00 0.00 H new ATOM 601 N CYS A 42 -4.683 0.317 -5.228 1.00 0.00 N ATOM 602 CA CYS A 42 -5.207 1.482 -4.525 1.00 0.00 C ATOM 603 C CYS A 42 -6.716 1.597 -4.712 1.00 0.00 C ATOM 604 O CYS A 42 -7.197 1.852 -5.816 1.00 0.00 O ATOM 605 CB CYS A 42 -4.521 2.755 -5.022 1.00 0.00 C ATOM 606 SG CYS A 42 -5.263 4.284 -4.405 1.00 0.00 S ATOM 0 H CYS A 42 -4.449 0.485 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.999 1.357 -3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.472 2.728 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.545 2.766 -6.112 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.612 5.304 -4.879 1.00 0.00 H new ATOM 612 N SER A 43 -7.458 1.407 -3.626 1.00 0.00 N ATOM 613 CA SER A 43 -8.914 1.484 -3.671 1.00 0.00 C ATOM 614 C SER A 43 -9.452 2.292 -2.495 1.00 0.00 C ATOM 615 O SER A 43 -8.952 2.212 -1.372 1.00 0.00 O ATOM 616 CB SER A 43 -9.521 0.079 -3.659 1.00 0.00 C ATOM 617 OG SER A 43 -10.936 0.135 -3.699 1.00 0.00 O ATOM 0 H SER A 43 -7.075 1.199 -2.704 1.00 0.00 H new ATOM 0 HA SER A 43 -9.198 1.987 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.152 -0.487 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.200 -0.452 -2.763 1.00 0.00 H new ATOM 0 HG SER A 43 -11.300 -0.775 -3.692 1.00 0.00 H new ATOM 623 N PRO A 44 -10.496 3.092 -2.756 1.00 0.00 N ATOM 624 CA PRO A 44 -11.126 3.931 -1.732 1.00 0.00 C ATOM 625 C PRO A 44 -11.889 3.110 -0.698 1.00 0.00 C ATOM 626 O PRO A 44 -12.602 2.169 -1.043 1.00 0.00 O ATOM 627 CB PRO A 44 -12.091 4.807 -2.536 1.00 0.00 C ATOM 628 CG PRO A 44 -12.394 4.013 -3.759 1.00 0.00 C ATOM 629 CD PRO A 44 -11.143 3.239 -4.071 1.00 0.00 C ATOM 0 HA PRO A 44 -10.391 4.496 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.997 5.022 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.638 5.766 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.236 3.342 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.667 4.664 -4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.370 2.271 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.505 3.773 -4.775 1.00 0.00 H new ATOM 637 N ALA A 45 -11.733 3.473 0.571 1.00 0.00 N ATOM 638 CA ALA A 45 -12.409 2.772 1.655 1.00 0.00 C ATOM 639 C ALA A 45 -13.890 3.131 1.702 1.00 0.00 C ATOM 640 O ALA A 45 -14.612 2.709 2.605 1.00 0.00 O ATOM 641 CB ALA A 45 -11.744 3.091 2.986 1.00 0.00 C ATOM 0 H ALA A 45 -11.144 4.249 0.873 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.328 1.701 1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.259 2.561 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.701 2.777 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.795 4.164 3.170 1.00 0.00 H new ATOM 647 N SER A 46 -14.336 3.913 0.724 1.00 0.00 N ATOM 648 CA SER A 46 -15.731 4.333 0.657 1.00 0.00 C ATOM 649 C SER A 46 -16.547 3.370 -0.201 1.00 0.00 C ATOM 650 O SER A 46 -16.077 2.849 -1.212 1.00 0.00 O ATOM 651 CB SER A 46 -15.832 5.750 0.090 1.00 0.00 C ATOM 652 OG SER A 46 -14.962 6.636 0.773 1.00 0.00 O ATOM 0 H SER A 46 -13.752 4.268 -0.033 1.00 0.00 H new ATOM 0 HA SER A 46 -16.137 4.325 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.585 5.739 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.859 6.106 0.174 1.00 0.00 H new ATOM 0 HG SER A 46 -15.044 7.535 0.391 1.00 0.00 H new ATOM 658 N PRO A 47 -17.800 3.129 0.212 1.00 0.00 N ATOM 659 CA PRO A 47 -18.709 2.229 -0.503 1.00 0.00 C ATOM 660 C PRO A 47 -19.157 2.802 -1.844 1.00 0.00 C ATOM 661 O PRO A 47 -19.868 2.146 -2.605 1.00 0.00 O ATOM 662 CB PRO A 47 -19.902 2.099 0.448 1.00 0.00 C ATOM 663 CG PRO A 47 -19.876 3.349 1.259 1.00 0.00 C ATOM 664 CD PRO A 47 -18.426 3.716 1.409 1.00 0.00 C ATOM 0 HA PRO A 47 -18.234 1.278 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.838 2.003 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.811 1.215 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.431 4.146 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.341 3.192 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.287 4.796 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -18.001 3.308 2.326 1.00 0.00 H new ATOM 672 N LYS A 48 -18.736 4.030 -2.127 1.00 0.00 N ATOM 673 CA LYS A 48 -19.091 4.692 -3.376 1.00 0.00 C ATOM 674 C LYS A 48 -18.676 3.847 -4.577 1.00 0.00 C ATOM 675 O LYS A 48 -19.515 3.427 -5.372 1.00 0.00 O ATOM 676 CB LYS A 48 -18.428 6.069 -3.454 1.00 0.00 C ATOM 677 CG LYS A 48 -18.993 7.073 -2.464 1.00 0.00 C ATOM 678 CD LYS A 48 -18.432 8.465 -2.701 1.00 0.00 C ATOM 679 CE LYS A 48 -18.750 9.398 -1.542 1.00 0.00 C ATOM 680 NZ LYS A 48 -20.214 9.633 -1.406 1.00 0.00 N ATOM 0 H LYS A 48 -18.148 4.587 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.174 4.815 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.358 5.959 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.544 6.462 -4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -20.079 7.098 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.761 6.754 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.352 8.405 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.846 8.873 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.363 8.972 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.242 10.350 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.387 10.313 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.589 10.015 -2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.691 8.735 -1.187 1.00 0.00 H new ATOM 694 N GLY A 49 -17.375 3.602 -4.701 1.00 0.00 N ATOM 695 CA GLY A 49 -16.872 2.807 -5.806 1.00 0.00 C ATOM 696 C GLY A 49 -16.659 1.355 -5.426 1.00 0.00 C ATOM 697 O GLY A 49 -15.998 1.058 -4.431 1.00 0.00 O ATOM 0 H GLY A 49 -16.661 3.940 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -17.574 2.862 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.930 3.230 -6.155 1.00 0.00 H new ATOM 701 N GLU A 50 -17.220 0.449 -6.220 1.00 0.00 N ATOM 702 CA GLU A 50 -17.089 -0.980 -5.960 1.00 0.00 C ATOM 703 C GLU A 50 -16.048 -1.608 -6.883 1.00 0.00 C ATOM 704 O GLU A 50 -15.151 -2.318 -6.430 1.00 0.00 O ATOM 705 CB GLU A 50 -18.437 -1.680 -6.142 1.00 0.00 C ATOM 706 CG GLU A 50 -18.346 -3.196 -6.101 1.00 0.00 C ATOM 707 CD GLU A 50 -18.449 -3.749 -4.693 1.00 0.00 C ATOM 708 OE1 GLU A 50 -17.438 -3.699 -3.962 1.00 0.00 O ATOM 709 OE2 GLU A 50 -19.539 -4.233 -4.323 1.00 0.00 O ATOM 0 H GLU A 50 -17.769 0.679 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.759 -1.107 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.120 -1.344 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.869 -1.376 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.142 -3.621 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.401 -3.512 -6.543 1.00 0.00 H new ATOM 716 N GLU A 51 -16.177 -1.341 -8.178 1.00 0.00 N ATOM 717 CA GLU A 51 -15.249 -1.882 -9.165 1.00 0.00 C ATOM 718 C GLU A 51 -14.249 -0.818 -9.611 1.00 0.00 C ATOM 719 O GLU A 51 -13.911 -0.727 -10.791 1.00 0.00 O ATOM 720 CB GLU A 51 -16.013 -2.419 -10.376 1.00 0.00 C ATOM 721 CG GLU A 51 -16.883 -1.377 -11.059 1.00 0.00 C ATOM 722 CD GLU A 51 -17.415 -1.848 -12.399 1.00 0.00 C ATOM 723 OE1 GLU A 51 -16.679 -2.559 -13.113 1.00 0.00 O ATOM 724 OE2 GLU A 51 -18.568 -1.504 -12.732 1.00 0.00 O ATOM 0 H GLU A 51 -16.914 -0.754 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.700 -2.701 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.299 -2.814 -11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.640 -3.252 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.720 -1.125 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.305 -0.464 -11.202 1.00 0.00 H new ATOM 731 N GLU A 52 -13.782 -0.017 -8.659 1.00 0.00 N ATOM 732 CA GLU A 52 -12.823 1.041 -8.955 1.00 0.00 C ATOM 733 C GLU A 52 -11.532 0.841 -8.166 1.00 0.00 C ATOM 734 O GLU A 52 -11.354 1.416 -7.093 1.00 0.00 O ATOM 735 CB GLU A 52 -13.424 2.410 -8.631 1.00 0.00 C ATOM 736 CG GLU A 52 -12.885 3.533 -9.501 1.00 0.00 C ATOM 737 CD GLU A 52 -13.552 4.865 -9.216 1.00 0.00 C ATOM 738 OE1 GLU A 52 -13.483 5.326 -8.057 1.00 0.00 O ATOM 739 OE2 GLU A 52 -14.143 5.445 -10.150 1.00 0.00 O ATOM 0 H GLU A 52 -14.052 -0.080 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.589 0.997 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.507 2.359 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.227 2.646 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.811 3.627 -9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.030 3.276 -10.550 1.00 0.00 H new ATOM 746 N GLU A 53 -10.636 0.021 -8.707 1.00 0.00 N ATOM 747 CA GLU A 53 -9.363 -0.256 -8.053 1.00 0.00 C ATOM 748 C GLU A 53 -8.198 -0.034 -9.013 1.00 0.00 C ATOM 749 O GLU A 53 -8.216 -0.512 -10.148 1.00 0.00 O ATOM 750 CB GLU A 53 -9.337 -1.692 -7.525 1.00 0.00 C ATOM 751 CG GLU A 53 -10.665 -2.152 -6.948 1.00 0.00 C ATOM 752 CD GLU A 53 -10.614 -3.578 -6.433 1.00 0.00 C ATOM 753 OE1 GLU A 53 -10.082 -3.791 -5.324 1.00 0.00 O ATOM 754 OE2 GLU A 53 -11.107 -4.481 -7.141 1.00 0.00 O ATOM 0 H GLU A 53 -10.768 -0.462 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.257 0.433 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.050 -2.363 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.569 -1.774 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.954 -1.486 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.437 -2.073 -7.714 1.00 0.00 H new ATOM 761 N ARG A 54 -7.187 0.695 -8.551 1.00 0.00 N ATOM 762 CA ARG A 54 -6.015 0.982 -9.369 1.00 0.00 C ATOM 763 C ARG A 54 -4.880 0.013 -9.050 1.00 0.00 C ATOM 764 O ARG A 54 -4.249 0.107 -7.998 1.00 0.00 O ATOM 765 CB ARG A 54 -5.550 2.422 -9.144 1.00 0.00 C ATOM 766 CG ARG A 54 -4.244 2.756 -9.845 1.00 0.00 C ATOM 767 CD ARG A 54 -4.446 2.946 -11.340 1.00 0.00 C ATOM 768 NE ARG A 54 -5.281 4.108 -11.636 1.00 0.00 N ATOM 769 CZ ARG A 54 -5.361 4.668 -12.838 1.00 0.00 C ATOM 770 NH1 ARG A 54 -4.661 4.175 -13.850 1.00 0.00 N ATOM 771 NH2 ARG A 54 -6.143 5.723 -13.028 1.00 0.00 N ATOM 0 H ARG A 54 -7.156 1.098 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.293 0.857 -10.416 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.325 3.104 -9.494 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.433 2.594 -8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.822 3.664 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.523 1.957 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.477 3.063 -11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.907 2.052 -11.760 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.832 4.511 -10.879 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.059 3.364 -13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.724 4.607 -14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.683 6.104 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.204 6.153 -13.951 1.00 0.00 H new ATOM 785 N GLU A 55 -4.627 -0.916 -9.967 1.00 0.00 N ATOM 786 CA GLU A 55 -3.568 -1.902 -9.782 1.00 0.00 C ATOM 787 C GLU A 55 -2.249 -1.399 -10.361 1.00 0.00 C ATOM 788 O GLU A 55 -2.120 -1.214 -11.572 1.00 0.00 O ATOM 789 CB GLU A 55 -3.955 -3.227 -10.440 1.00 0.00 C ATOM 790 CG GLU A 55 -2.768 -4.007 -10.982 1.00 0.00 C ATOM 791 CD GLU A 55 -2.416 -3.619 -12.405 1.00 0.00 C ATOM 792 OE1 GLU A 55 -3.325 -3.185 -13.143 1.00 0.00 O ATOM 793 OE2 GLU A 55 -1.232 -3.749 -12.781 1.00 0.00 O ATOM 0 H GLU A 55 -5.140 -1.007 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.437 -2.061 -8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.483 -3.844 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.651 -3.029 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.904 -3.839 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.991 -5.073 -10.945 1.00 0.00 H new ATOM 800 N VAL A 56 -1.271 -1.179 -9.488 1.00 0.00 N ATOM 801 CA VAL A 56 0.038 -0.698 -9.911 1.00 0.00 C ATOM 802 C VAL A 56 1.138 -1.674 -9.510 1.00 0.00 C ATOM 803 O VAL A 56 0.906 -2.601 -8.735 1.00 0.00 O ATOM 804 CB VAL A 56 0.350 0.686 -9.310 1.00 0.00 C ATOM 805 CG1 VAL A 56 1.291 1.463 -10.218 1.00 0.00 C ATOM 806 CG2 VAL A 56 -0.935 1.463 -9.069 1.00 0.00 C ATOM 0 H VAL A 56 -1.361 -1.327 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 56 0.008 -0.615 -10.997 1.00 0.00 H new ATOM 0 HB VAL A 56 0.847 0.543 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.500 2.438 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.223 0.910 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.825 1.599 -11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.696 2.438 -8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.461 1.598 -10.014 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.570 0.911 -8.376 1.00 0.00 H new ATOM 816 N GLN A 57 2.337 -1.458 -10.042 1.00 0.00 N ATOM 817 CA GLN A 57 3.474 -2.319 -9.739 1.00 0.00 C ATOM 818 C GLN A 57 4.685 -1.494 -9.317 1.00 0.00 C ATOM 819 O GLN A 57 5.161 -0.642 -10.068 1.00 0.00 O ATOM 820 CB GLN A 57 3.826 -3.180 -10.953 1.00 0.00 C ATOM 821 CG GLN A 57 3.080 -4.504 -10.997 1.00 0.00 C ATOM 822 CD GLN A 57 3.102 -5.141 -12.372 1.00 0.00 C ATOM 823 OE1 GLN A 57 4.166 -5.465 -12.901 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.925 -5.325 -12.959 1.00 0.00 N ATOM 0 H GLN A 57 2.546 -0.694 -10.685 1.00 0.00 H new ATOM 0 HA GLN A 57 3.194 -2.969 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.607 -2.619 -11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.898 -3.377 -10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.523 -5.190 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.046 -4.344 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.068 -5.041 -12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.878 -5.750 -13.885 1.00 0.00 H new ATOM 833 N VAL A 58 5.180 -1.751 -8.111 1.00 0.00 N ATOM 834 CA VAL A 58 6.336 -1.033 -7.589 1.00 0.00 C ATOM 835 C VAL A 58 7.507 -1.979 -7.347 1.00 0.00 C ATOM 836 O VAL A 58 7.355 -3.022 -6.713 1.00 0.00 O ATOM 837 CB VAL A 58 5.999 -0.304 -6.275 1.00 0.00 C ATOM 838 CG1 VAL A 58 4.951 0.772 -6.515 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.525 -1.296 -5.223 1.00 0.00 C ATOM 0 H VAL A 58 4.798 -2.452 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 58 6.617 -0.296 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 58 6.903 0.179 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.726 1.276 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.332 1.497 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.043 0.314 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.291 -0.764 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.633 -1.809 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.311 -2.026 -5.031 1.00 0.00 H new ATOM 849 N GLY A 59 8.678 -1.606 -7.856 1.00 0.00 N ATOM 850 CA GLY A 59 9.858 -2.432 -7.685 1.00 0.00 C ATOM 851 C GLY A 59 10.392 -2.392 -6.266 1.00 0.00 C ATOM 852 O GLY A 59 11.356 -3.084 -5.939 1.00 0.00 O ATOM 0 H GLY A 59 8.830 -0.746 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.619 -3.462 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.635 -2.097 -8.372 1.00 0.00 H new ATOM 856 N ARG A 60 9.766 -1.578 -5.423 1.00 0.00 N ATOM 857 CA ARG A 60 10.186 -1.449 -4.032 1.00 0.00 C ATOM 858 C ARG A 60 9.013 -1.689 -3.086 1.00 0.00 C ATOM 859 O ARG A 60 7.851 -1.472 -3.429 1.00 0.00 O ATOM 860 CB ARG A 60 10.779 -0.061 -3.784 1.00 0.00 C ATOM 861 CG ARG A 60 10.134 1.035 -4.616 1.00 0.00 C ATOM 862 CD ARG A 60 10.782 1.149 -5.987 1.00 0.00 C ATOM 863 NE ARG A 60 10.640 2.489 -6.550 1.00 0.00 N ATOM 864 CZ ARG A 60 11.462 2.993 -7.464 1.00 0.00 C ATOM 865 NH1 ARG A 60 12.478 2.271 -7.916 1.00 0.00 N ATOM 866 NH2 ARG A 60 11.268 4.221 -7.928 1.00 0.00 N ATOM 0 H ARG A 60 8.967 -0.998 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 60 10.948 -2.203 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.673 0.187 -2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.847 -0.088 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.070 0.827 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.218 1.987 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.840 0.899 -5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.331 0.422 -6.663 1.00 0.00 H new ATOM 0 HE ARG A 60 9.868 3.070 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.630 1.327 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.108 2.660 -8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.487 4.779 -7.583 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.900 4.607 -8.630 1.00 0.00 H new ATOM 880 N PRO A 61 9.323 -2.150 -1.865 1.00 0.00 N ATOM 881 CA PRO A 61 8.310 -2.430 -0.843 1.00 0.00 C ATOM 882 C PRO A 61 7.661 -1.159 -0.307 1.00 0.00 C ATOM 883 O PRO A 61 6.832 -1.211 0.601 1.00 0.00 O ATOM 884 CB PRO A 61 9.103 -3.132 0.261 1.00 0.00 C ATOM 885 CG PRO A 61 10.502 -2.647 0.090 1.00 0.00 C ATOM 886 CD PRO A 61 10.687 -2.431 -1.387 1.00 0.00 C ATOM 0 HA PRO A 61 7.486 -3.025 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.715 -2.881 1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.045 -4.216 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.665 -1.722 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.217 -3.376 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.363 -1.600 -1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.109 -3.311 -1.872 1.00 0.00 H new ATOM 894 N GLU A 62 8.043 -0.019 -0.875 1.00 0.00 N ATOM 895 CA GLU A 62 7.497 1.265 -0.452 1.00 0.00 C ATOM 896 C GLU A 62 6.879 2.009 -1.632 1.00 0.00 C ATOM 897 O GLU A 62 7.573 2.378 -2.580 1.00 0.00 O ATOM 898 CB GLU A 62 8.590 2.123 0.190 1.00 0.00 C ATOM 899 CG GLU A 62 9.768 2.395 -0.731 1.00 0.00 C ATOM 900 CD GLU A 62 10.933 3.046 -0.010 1.00 0.00 C ATOM 901 OE1 GLU A 62 10.684 3.870 0.895 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.092 2.733 -0.352 1.00 0.00 O ATOM 0 H GLU A 62 8.728 0.041 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 62 6.716 1.074 0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.157 3.073 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.950 1.624 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.100 1.458 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.445 3.040 -1.548 1.00 0.00 H new ATOM 909 N VAL A 63 5.569 2.225 -1.567 1.00 0.00 N ATOM 910 CA VAL A 63 4.856 2.924 -2.629 1.00 0.00 C ATOM 911 C VAL A 63 4.365 4.288 -2.156 1.00 0.00 C ATOM 912 O VAL A 63 3.878 4.430 -1.033 1.00 0.00 O ATOM 913 CB VAL A 63 3.653 2.104 -3.133 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.752 1.711 -1.972 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.876 2.887 -4.180 1.00 0.00 C ATOM 0 H VAL A 63 4.980 1.926 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 63 5.562 3.059 -3.448 1.00 0.00 H new ATOM 0 HB VAL A 63 4.026 1.191 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.908 1.132 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.317 1.109 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.385 2.610 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.030 2.293 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.512 3.817 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.528 3.113 -5.023 1.00 0.00 H new ATOM 925 N LEU A 64 4.496 5.289 -3.019 1.00 0.00 N ATOM 926 CA LEU A 64 4.065 6.644 -2.690 1.00 0.00 C ATOM 927 C LEU A 64 2.979 7.118 -3.650 1.00 0.00 C ATOM 928 O LEU A 64 3.248 7.398 -4.819 1.00 0.00 O ATOM 929 CB LEU A 64 5.255 7.604 -2.734 1.00 0.00 C ATOM 930 CG LEU A 64 4.925 9.090 -2.590 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.305 9.369 -1.230 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.174 9.936 -2.793 1.00 0.00 C ATOM 0 H LEU A 64 4.897 5.189 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 64 3.653 6.633 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.948 7.328 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.779 7.459 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 64 4.200 9.358 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.077 10.431 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.387 8.791 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.006 9.085 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.920 10.991 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.922 9.666 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.576 9.758 -3.790 1.00 0.00 H new ATOM 944 N LEU A 65 1.752 7.209 -3.149 1.00 0.00 N ATOM 945 CA LEU A 65 0.625 7.652 -3.961 1.00 0.00 C ATOM 946 C LEU A 65 0.517 9.174 -3.960 1.00 0.00 C ATOM 947 O LEU A 65 0.425 9.799 -2.904 1.00 0.00 O ATOM 948 CB LEU A 65 -0.676 7.038 -3.442 1.00 0.00 C ATOM 949 CG LEU A 65 -0.679 5.518 -3.270 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.909 5.071 -2.495 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.619 4.828 -4.625 1.00 0.00 C ATOM 0 H LEU A 65 1.513 6.982 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 65 0.794 7.319 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.911 7.493 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.480 7.308 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 65 0.206 5.234 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.894 3.987 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.908 5.538 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.808 5.367 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.622 3.747 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.485 5.118 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.293 5.123 -5.144 1.00 0.00 H new ATOM 963 N ASP A 66 0.529 9.763 -5.151 1.00 0.00 N ATOM 964 CA ASP A 66 0.430 11.211 -5.288 1.00 0.00 C ATOM 965 C ASP A 66 -0.916 11.610 -5.886 1.00 0.00 C ATOM 966 O ASP A 66 -1.470 10.898 -6.723 1.00 0.00 O ATOM 967 CB ASP A 66 1.567 11.741 -6.162 1.00 0.00 C ATOM 968 CG ASP A 66 1.310 11.525 -7.641 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.730 10.478 -7.996 1.00 0.00 O ATOM 970 OD2 ASP A 66 1.688 12.405 -8.443 1.00 0.00 O ATOM 0 H ASP A 66 0.606 9.260 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 66 0.511 11.651 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.702 12.806 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.497 11.247 -5.882 1.00 0.00 H new ATOM 975 N GLY A 67 -1.437 12.752 -5.449 1.00 0.00 N ATOM 976 CA GLY A 67 -2.714 13.225 -5.951 1.00 0.00 C ATOM 977 C GLY A 67 -3.889 12.582 -5.242 1.00 0.00 C ATOM 978 O GLY A 67 -4.601 11.760 -5.822 1.00 0.00 O ATOM 0 H GLY A 67 -0.998 13.358 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.770 14.307 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.780 13.018 -7.019 1.00 0.00 H new ATOM 982 N LEU A 68 -4.094 12.954 -3.983 1.00 0.00 N ATOM 983 CA LEU A 68 -5.191 12.406 -3.192 1.00 0.00 C ATOM 984 C LEU A 68 -5.936 13.514 -2.454 1.00 0.00 C ATOM 985 O LEU A 68 -5.487 14.659 -2.417 1.00 0.00 O ATOM 986 CB LEU A 68 -4.661 11.378 -2.192 1.00 0.00 C ATOM 987 CG LEU A 68 -3.796 10.259 -2.773 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.901 9.663 -1.698 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.668 9.182 -3.402 1.00 0.00 C ATOM 0 H LEU A 68 -3.515 13.633 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.887 11.916 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.079 11.904 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.511 10.925 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.161 10.684 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.293 8.868 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.251 10.439 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.517 9.254 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.035 8.394 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.329 8.761 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.265 9.619 -4.202 1.00 0.00 H new ATOM 1001 N GLU A 69 -7.075 13.163 -1.865 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.881 14.128 -1.127 1.00 0.00 C ATOM 1003 C GLU A 69 -7.684 13.964 0.378 1.00 0.00 C ATOM 1004 O GLU A 69 -7.576 12.853 0.897 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.361 13.966 -1.479 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.800 14.805 -2.667 1.00 0.00 C ATOM 1007 CD GLU A 69 -11.072 14.286 -3.310 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -11.913 13.716 -2.584 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -11.226 14.450 -4.538 1.00 0.00 O ATOM 0 H GLU A 69 -7.460 12.219 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.555 15.128 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.562 12.916 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.964 14.236 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.955 15.834 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.002 14.822 -3.410 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.635 15.096 1.095 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.450 15.104 2.549 1.00 0.00 C ATOM 1018 C PRO A 70 -8.671 14.572 3.291 1.00 0.00 C ATOM 1019 O PRO A 70 -9.807 14.776 2.865 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.233 16.585 2.870 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.912 17.316 1.764 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.756 16.455 0.541 1.00 0.00 C ATOM 0 HA PRO A 70 -6.626 14.461 2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.660 16.847 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.172 16.829 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.965 17.481 1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.462 18.297 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.615 16.543 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.875 16.733 -0.037 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.429 13.887 4.405 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.518 13.336 5.189 1.00 0.00 C ATOM 1032 C GLY A 71 -10.231 12.204 4.476 1.00 0.00 C ATOM 1033 O GLY A 71 -11.460 12.175 4.416 1.00 0.00 O ATOM 0 H GLY A 71 -7.497 13.704 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.129 12.974 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.234 14.126 5.417 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.457 11.269 3.934 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.022 10.130 3.219 1.00 0.00 C ATOM 1039 C ARG A 72 -9.297 8.840 3.593 1.00 0.00 C ATOM 1040 O ARG A 72 -8.186 8.872 4.122 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.937 10.357 1.709 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.038 9.659 0.926 1.00 0.00 C ATOM 1043 CD ARG A 72 -11.152 10.211 -0.487 1.00 0.00 C ATOM 1044 NE ARG A 72 -11.763 9.250 -1.401 1.00 0.00 N ATOM 1045 CZ ARG A 72 -11.722 9.366 -2.724 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -11.101 10.395 -3.284 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -12.303 8.451 -3.490 1.00 0.00 N ATOM 0 H ARG A 72 -8.438 11.278 3.976 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.069 10.034 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.982 11.427 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.969 10.006 1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.834 8.589 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.989 9.783 1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.745 11.125 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.161 10.480 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.248 8.446 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.653 11.100 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.071 10.481 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.782 7.658 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.271 8.541 -4.506 1.00 0.00 H new ATOM 1061 N ASP A 73 -9.934 7.708 3.313 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.350 6.407 3.618 1.00 0.00 C ATOM 1063 C ASP A 73 -9.143 5.592 2.346 1.00 0.00 C ATOM 1064 O ASP A 73 -9.979 5.612 1.441 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.245 5.639 4.592 1.00 0.00 C ATOM 1066 CG ASP A 73 -11.719 5.819 4.288 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -12.056 6.078 3.114 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -12.537 5.703 5.225 1.00 0.00 O ATOM 0 H ASP A 73 -10.854 7.665 2.876 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.378 6.572 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.995 4.579 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.043 5.975 5.609 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.025 4.878 2.282 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.707 4.059 1.119 1.00 0.00 C ATOM 1075 C TYR A 74 -7.243 2.668 1.542 1.00 0.00 C ATOM 1076 O TYR A 74 -6.300 2.527 2.320 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.625 4.734 0.274 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.052 6.065 -0.304 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.679 6.138 -1.542 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.827 7.249 0.388 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.069 7.352 -2.074 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.216 8.467 -0.136 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.836 8.513 -1.367 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.224 9.724 -1.893 1.00 0.00 O ATOM 0 H TYR A 74 -7.324 4.850 3.022 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.613 3.954 0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.736 4.882 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.343 4.067 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.865 5.231 -2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.340 7.217 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.554 7.392 -3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.035 9.378 0.415 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.645 9.581 -2.766 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.913 1.644 1.023 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.570 0.265 1.347 1.00 0.00 C ATOM 1096 C GLU A 75 -6.433 -0.236 0.461 1.00 0.00 C ATOM 1097 O GLU A 75 -6.656 -0.981 -0.493 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.793 -0.640 1.185 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.985 -0.208 2.022 1.00 0.00 C ATOM 1100 CD GLU A 75 -11.145 -1.180 1.932 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.298 -1.822 0.872 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -11.899 -1.298 2.920 1.00 0.00 O ATOM 0 H GLU A 75 -8.696 1.744 0.377 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.239 0.235 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.085 -0.658 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.519 -1.659 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.677 -0.111 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.316 0.778 1.695 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.212 0.181 0.783 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.039 -0.225 0.017 1.00 0.00 C ATOM 1111 C VAL A 76 -3.645 -1.662 0.336 1.00 0.00 C ATOM 1112 O VAL A 76 -3.085 -1.943 1.396 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.839 0.700 0.297 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.653 0.314 -0.573 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.224 2.154 0.074 1.00 0.00 C ATOM 0 H VAL A 76 -5.010 0.799 1.569 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.307 -0.151 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.547 0.582 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.815 0.978 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.364 -0.715 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.929 0.401 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.365 2.793 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.543 2.292 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.041 2.421 0.745 1.00 0.00 H new ATOM 1125 N SER A 77 -3.940 -2.570 -0.589 1.00 0.00 N ATOM 1126 CA SER A 77 -3.619 -3.981 -0.405 1.00 0.00 C ATOM 1127 C SER A 77 -2.352 -4.354 -1.169 1.00 0.00 C ATOM 1128 O SER A 77 -2.282 -4.203 -2.389 1.00 0.00 O ATOM 1129 CB SER A 77 -4.785 -4.855 -0.870 1.00 0.00 C ATOM 1130 OG SER A 77 -6.030 -4.254 -0.558 1.00 0.00 O ATOM 0 H SER A 77 -4.401 -2.354 -1.473 1.00 0.00 H new ATOM 0 HA SER A 77 -3.446 -4.154 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.715 -5.017 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.721 -5.834 -0.395 1.00 0.00 H new ATOM 0 HG SER A 77 -6.759 -4.832 -0.867 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.352 -4.842 -0.442 1.00 0.00 N ATOM 1137 CA VAL A 78 -0.088 -5.238 -1.050 1.00 0.00 C ATOM 1138 C VAL A 78 -0.034 -6.745 -1.274 1.00 0.00 C ATOM 1139 O VAL A 78 -0.680 -7.512 -0.561 1.00 0.00 O ATOM 1140 CB VAL A 78 1.110 -4.817 -0.179 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.421 -5.181 -0.860 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.052 -3.327 0.122 1.00 0.00 C ATOM 0 H VAL A 78 -1.393 -4.972 0.569 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.026 -4.728 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 78 1.057 -5.358 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.256 -4.876 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.462 -6.259 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.486 -4.670 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.906 -3.047 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.079 -2.766 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.129 -3.099 0.656 1.00 0.00 H new ATOM 1152 N GLN A 79 0.742 -7.163 -2.270 1.00 0.00 N ATOM 1153 CA GLN A 79 0.880 -8.579 -2.588 1.00 0.00 C ATOM 1154 C GLN A 79 2.223 -8.860 -3.252 1.00 0.00 C ATOM 1155 O GLN A 79 2.615 -8.174 -4.197 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.259 -9.031 -3.503 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.015 -10.381 -4.158 1.00 0.00 C ATOM 1158 CD GLN A 79 -0.992 -10.671 -5.280 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.296 -9.800 -6.095 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.490 -11.902 -5.328 1.00 0.00 N ATOM 0 H GLN A 79 1.284 -6.541 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 79 0.832 -9.141 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.181 -9.079 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.409 -8.281 -4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.002 -10.412 -4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.090 -11.165 -3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.210 -12.593 -4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.152 -12.156 -6.061 1.00 0.00 H new ATOM 1169 N SER A 80 2.926 -9.871 -2.752 1.00 0.00 N ATOM 1170 CA SER A 80 4.228 -10.240 -3.294 1.00 0.00 C ATOM 1171 C SER A 80 4.073 -11.152 -4.507 1.00 0.00 C ATOM 1172 O SER A 80 3.567 -12.270 -4.398 1.00 0.00 O ATOM 1173 CB SER A 80 5.072 -10.935 -2.224 1.00 0.00 C ATOM 1174 OG SER A 80 5.196 -10.125 -1.068 1.00 0.00 O ATOM 0 H SER A 80 2.615 -10.450 -1.972 1.00 0.00 H new ATOM 0 HA SER A 80 4.734 -9.327 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.614 -11.888 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.061 -11.157 -2.624 1.00 0.00 H new ATOM 0 HG SER A 80 5.446 -10.683 -0.303 1.00 0.00 H new ATOM 1180 N LEU A 81 4.511 -10.667 -5.664 1.00 0.00 N ATOM 1181 CA LEU A 81 4.422 -11.437 -6.900 1.00 0.00 C ATOM 1182 C LEU A 81 5.751 -12.118 -7.214 1.00 0.00 C ATOM 1183 O LEU A 81 6.794 -11.467 -7.275 1.00 0.00 O ATOM 1184 CB LEU A 81 4.014 -10.530 -8.061 1.00 0.00 C ATOM 1185 CG LEU A 81 2.555 -10.073 -8.075 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.622 -11.262 -7.910 1.00 0.00 C ATOM 1187 CD2 LEU A 81 2.308 -9.043 -6.983 1.00 0.00 C ATOM 0 H LEU A 81 4.931 -9.744 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 81 3.663 -12.207 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.651 -9.645 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.219 -11.054 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 81 2.349 -9.607 -9.039 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.588 -10.918 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.780 -11.965 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.828 -11.757 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.264 -8.729 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.531 -9.483 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.951 -8.178 -7.146 1.00 0.00 H new ATOM 1199 N ARG A 82 5.704 -13.431 -7.415 1.00 0.00 N ATOM 1200 CA ARG A 82 6.903 -14.200 -7.724 1.00 0.00 C ATOM 1201 C ARG A 82 6.645 -15.172 -8.871 1.00 0.00 C ATOM 1202 O ARG A 82 7.100 -16.315 -8.844 1.00 0.00 O ATOM 1203 CB ARG A 82 7.376 -14.966 -6.488 1.00 0.00 C ATOM 1204 CG ARG A 82 8.875 -15.216 -6.463 1.00 0.00 C ATOM 1205 CD ARG A 82 9.262 -16.381 -7.359 1.00 0.00 C ATOM 1206 NE ARG A 82 10.530 -16.984 -6.957 1.00 0.00 N ATOM 1207 CZ ARG A 82 10.653 -17.824 -5.935 1.00 0.00 C ATOM 1208 NH1 ARG A 82 9.590 -18.159 -5.216 1.00 0.00 N ATOM 1209 NH2 ARG A 82 11.841 -18.331 -5.631 1.00 0.00 N ATOM 0 H ARG A 82 4.848 -13.984 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 82 7.683 -13.503 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.094 -14.408 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.856 -15.923 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.400 -14.317 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.194 -15.421 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.477 -17.136 -7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.336 -16.036 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 82 11.367 -16.747 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.675 -17.772 -5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.687 -18.804 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.661 -18.076 -6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.935 -18.976 -4.846 1.00 0.00 H new ATOM 1223 N GLY A 83 5.910 -14.710 -9.879 1.00 0.00 N ATOM 1224 CA GLY A 83 5.603 -15.552 -11.020 1.00 0.00 C ATOM 1225 C GLY A 83 4.139 -15.490 -11.409 1.00 0.00 C ATOM 1226 O GLY A 83 3.504 -14.437 -11.353 1.00 0.00 O ATOM 0 H GLY A 83 5.522 -13.768 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.215 -15.246 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.871 -16.583 -10.789 1.00 0.00 H new ATOM 1230 N PRO A 84 3.582 -16.641 -11.816 1.00 0.00 N ATOM 1231 CA PRO A 84 2.178 -16.739 -12.224 1.00 0.00 C ATOM 1232 C PRO A 84 1.219 -16.576 -11.050 1.00 0.00 C ATOM 1233 O PRO A 84 0.049 -16.243 -11.234 1.00 0.00 O ATOM 1234 CB PRO A 84 2.076 -18.151 -12.806 1.00 0.00 C ATOM 1235 CG PRO A 84 3.165 -18.916 -12.137 1.00 0.00 C ATOM 1236 CD PRO A 84 4.280 -17.934 -11.907 1.00 0.00 C ATOM 0 HA PRO A 84 1.902 -15.952 -12.926 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.100 -18.593 -12.604 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.205 -18.143 -13.888 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.820 -19.343 -11.195 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.498 -19.746 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.831 -18.158 -10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.000 -17.945 -12.725 1.00 0.00 H new ATOM 1244 N GLU A 85 1.724 -16.814 -9.843 1.00 0.00 N ATOM 1245 CA GLU A 85 0.910 -16.694 -8.639 1.00 0.00 C ATOM 1246 C GLU A 85 1.575 -15.768 -7.623 1.00 0.00 C ATOM 1247 O GLU A 85 2.800 -15.706 -7.533 1.00 0.00 O ATOM 1248 CB GLU A 85 0.678 -18.071 -8.014 1.00 0.00 C ATOM 1249 CG GLU A 85 1.961 -18.804 -7.662 1.00 0.00 C ATOM 1250 CD GLU A 85 1.769 -20.306 -7.569 1.00 0.00 C ATOM 1251 OE1 GLU A 85 0.629 -20.743 -7.305 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.758 -21.043 -7.761 1.00 0.00 O ATOM 0 H GLU A 85 2.691 -17.090 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.051 -16.265 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.077 -17.955 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.099 -18.682 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.719 -18.584 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.339 -18.430 -6.710 1.00 0.00 H new ATOM 1259 N GLY A 86 0.756 -15.049 -6.861 1.00 0.00 N ATOM 1260 CA GLY A 86 1.282 -14.136 -5.863 1.00 0.00 C ATOM 1261 C GLY A 86 0.959 -14.575 -4.449 1.00 0.00 C ATOM 1262 O GLY A 86 0.422 -15.662 -4.236 1.00 0.00 O ATOM 0 H GLY A 86 -0.262 -15.083 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.363 -14.060 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.872 -13.140 -6.034 1.00 0.00 H new ATOM 1266 N SER A 87 1.290 -13.729 -3.478 1.00 0.00 N ATOM 1267 CA SER A 87 1.037 -14.038 -2.076 1.00 0.00 C ATOM 1268 C SER A 87 -0.358 -13.580 -1.662 1.00 0.00 C ATOM 1269 O SER A 87 -1.118 -13.055 -2.476 1.00 0.00 O ATOM 1270 CB SER A 87 2.089 -13.371 -1.187 1.00 0.00 C ATOM 1271 OG SER A 87 1.861 -11.977 -1.085 1.00 0.00 O ATOM 0 H SER A 87 1.734 -12.825 -3.637 1.00 0.00 H new ATOM 0 HA SER A 87 1.098 -15.119 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.068 -13.820 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.083 -13.551 -1.597 1.00 0.00 H new ATOM 0 HG SER A 87 2.475 -11.593 -0.425 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.688 -13.783 -0.390 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.992 -13.392 0.132 1.00 0.00 C ATOM 1279 C GLU A 88 -2.151 -11.875 0.118 1.00 0.00 C ATOM 1280 O GLU A 88 -1.167 -11.136 0.153 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.175 -13.922 1.556 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.543 -15.395 1.615 1.00 0.00 C ATOM 1283 CD GLU A 88 -2.866 -15.859 3.022 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -3.845 -15.347 3.606 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -2.141 -16.734 3.540 1.00 0.00 O ATOM 0 H GLU A 88 -0.071 -14.216 0.297 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.758 -13.826 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.252 -13.764 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.952 -13.342 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.403 -15.577 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.718 -15.988 1.221 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.398 -11.417 0.065 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.687 -9.989 0.047 1.00 0.00 C ATOM 1294 C ALA A 89 -3.592 -9.392 1.447 1.00 0.00 C ATOM 1295 O ALA A 89 -4.426 -9.670 2.309 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.066 -9.737 -0.544 1.00 0.00 C ATOM 0 H ALA A 89 -4.224 -12.015 0.034 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.941 -9.500 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.269 -8.666 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.100 -10.120 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.819 -10.245 0.059 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.570 -8.571 1.667 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.365 -7.936 2.964 1.00 0.00 C ATOM 1304 C ARG A 90 -2.357 -6.416 2.830 1.00 0.00 C ATOM 1305 O ARG A 90 -1.433 -5.838 2.260 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.051 -8.411 3.585 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.980 -9.916 3.786 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.604 -10.332 5.109 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.868 -11.767 5.162 1.00 0.00 N ATOM 1310 CZ ARG A 90 -2.165 -12.419 6.281 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.236 -11.766 7.433 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -2.392 -13.726 6.249 1.00 0.00 N ATOM 0 H ARG A 90 -1.871 -8.330 0.964 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.191 -8.221 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.224 -8.099 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.915 -7.918 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.494 -10.418 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.060 -10.239 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.938 -10.055 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.536 -9.786 5.258 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.822 -12.298 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.062 -10.761 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.464 -12.268 8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.339 -14.231 5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.620 -14.225 7.109 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.395 -5.775 3.359 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.489 -4.329 3.287 1.00 0.00 C ATOM 1328 C GLY A 91 -3.597 -3.687 4.656 1.00 0.00 C ATOM 1329 O GLY A 91 -3.873 -4.364 5.647 1.00 0.00 O ATOM 0 H GLY A 91 -4.172 -6.232 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.612 -3.936 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.358 -4.054 2.690 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.379 -2.377 4.712 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.454 -1.644 5.970 1.00 0.00 C ATOM 1335 C ILE A 92 -4.401 -0.454 5.858 1.00 0.00 C ATOM 1336 O ILE A 92 -4.616 0.080 4.769 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.067 -1.142 6.412 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.182 -0.327 7.702 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.427 -0.312 5.309 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.849 -0.027 8.349 1.00 0.00 C ATOM 0 H ILE A 92 -3.149 -1.802 3.901 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.835 -2.339 6.718 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.430 -2.005 6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.690 0.612 7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.806 -0.871 8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.447 0.035 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.314 -0.923 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.060 0.547 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.008 0.553 9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.347 -0.962 8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.229 0.544 7.658 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.962 -0.042 6.990 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.885 1.085 7.018 1.00 0.00 C ATOM 1354 C ARG A 93 -5.136 2.405 6.860 1.00 0.00 C ATOM 1355 O ARG A 93 -4.511 2.892 7.802 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.678 1.090 8.327 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.619 2.275 8.465 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.979 1.981 7.850 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.763 1.061 8.669 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.926 0.546 8.288 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.438 0.860 7.105 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -11.581 -0.284 9.089 1.00 0.00 N ATOM 0 H ARG A 93 -4.793 -0.472 7.899 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.577 0.977 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.256 0.168 8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.980 1.092 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.741 2.523 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.180 3.148 7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.529 2.914 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.843 1.555 6.856 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.397 0.799 9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.938 1.498 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.332 0.463 6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.191 -0.528 10.000 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.474 -0.678 8.794 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.205 2.979 5.663 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.535 4.242 5.382 1.00 0.00 C ATOM 1378 C ALA A 94 -5.472 5.423 5.612 1.00 0.00 C ATOM 1379 O ALA A 94 -6.590 5.449 5.099 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.007 4.254 3.955 1.00 0.00 C ATOM 0 H ALA A 94 -5.718 2.589 4.873 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.694 4.340 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.509 5.204 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.297 3.438 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.837 4.129 3.259 1.00 0.00 H new ATOM 1386 N ARG A 95 -5.008 6.399 6.386 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.805 7.582 6.685 1.00 0.00 C ATOM 1388 C ARG A 95 -4.984 8.854 6.496 1.00 0.00 C ATOM 1389 O ARG A 95 -3.753 8.821 6.521 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.339 7.515 8.117 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.268 7.712 9.176 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.634 6.390 9.581 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.600 6.566 10.597 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.855 6.654 11.897 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -5.103 6.582 12.338 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.859 6.815 12.760 1.00 0.00 N ATOM 0 H ARG A 95 -4.084 6.393 6.817 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.646 7.607 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.109 8.276 8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.818 6.548 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.499 8.384 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.705 8.191 10.052 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.405 5.720 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.201 5.912 8.702 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.629 6.625 10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.871 6.459 11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.295 6.650 13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.897 6.871 12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.055 6.883 13.759 1.00 0.00 H new ATOM 1410 N THR A 96 -5.673 9.975 6.307 1.00 0.00 N ATOM 1411 CA THR A 96 -5.008 11.257 6.112 1.00 0.00 C ATOM 1412 C THR A 96 -5.815 12.394 6.728 1.00 0.00 C ATOM 1413 O THR A 96 -7.041 12.443 6.626 1.00 0.00 O ATOM 1414 CB THR A 96 -4.784 11.553 4.617 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.044 11.681 3.949 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.968 10.448 3.963 1.00 0.00 C ATOM 0 H THR A 96 -6.692 10.021 6.285 1.00 0.00 H new ATOM 0 HA THR A 96 -4.041 11.190 6.610 1.00 0.00 H new ATOM 0 HB THR A 96 -4.232 12.489 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.893 11.871 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.823 10.679 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.998 10.372 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.498 9.500 4.057 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.114 13.332 7.382 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.745 14.487 8.027 1.00 0.00 C ATOM 1426 C PRO A 97 -6.312 15.477 7.015 1.00 0.00 C ATOM 1427 O PRO A 97 -6.417 15.175 5.826 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.598 15.125 8.815 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.364 14.707 8.093 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.650 13.337 7.543 1.00 0.00 C ATOM 0 HA PRO A 97 -6.594 14.195 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.692 16.211 8.842 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.588 14.780 9.849 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.124 15.407 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.506 14.686 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.141 13.171 6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.318 12.553 8.224 1.00 0.00 H new ATOM 1438 N THR A 98 -6.676 16.663 7.494 1.00 0.00 N ATOM 1439 CA THR A 98 -7.233 17.697 6.632 1.00 0.00 C ATOM 1440 C THR A 98 -6.619 19.058 6.940 1.00 0.00 C ATOM 1441 O THR A 98 -6.818 19.609 8.023 1.00 0.00 O ATOM 1442 CB THR A 98 -8.763 17.790 6.781 1.00 0.00 C ATOM 1443 OG1 THR A 98 -9.105 18.089 8.140 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.428 16.489 6.360 1.00 0.00 C ATOM 0 H THR A 98 -6.595 16.931 8.475 1.00 0.00 H new ATOM 0 HA THR A 98 -6.993 17.417 5.606 1.00 0.00 H new ATOM 0 HB THR A 98 -9.122 18.589 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.462 18.732 8.505 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.508 16.579 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.189 16.279 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.064 15.675 6.986 1.00 0.00 H new ATOM 1452 N SER A 99 -5.874 19.597 5.980 1.00 0.00 N ATOM 1453 CA SER A 99 -5.228 20.894 6.151 1.00 0.00 C ATOM 1454 C SER A 99 -6.264 21.989 6.384 1.00 0.00 C ATOM 1455 O SER A 99 -7.277 22.060 5.689 1.00 0.00 O ATOM 1456 CB SER A 99 -4.381 21.231 4.923 1.00 0.00 C ATOM 1457 OG SER A 99 -3.724 22.476 5.083 1.00 0.00 O ATOM 0 H SER A 99 -5.703 19.156 5.076 1.00 0.00 H new ATOM 0 HA SER A 99 -4.580 20.838 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.643 20.445 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.015 21.262 4.037 1.00 0.00 H new ATOM 0 HG SER A 99 -3.188 22.668 4.285 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.002 22.843 7.369 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.919 23.924 7.678 1.00 0.00 C ATOM 1465 C GLY A 100 -6.324 25.289 7.395 1.00 0.00 C ATOM 1466 O GLY A 100 -5.285 25.414 6.747 1.00 0.00 O ATOM 0 H GLY A 100 -5.170 22.805 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.831 23.801 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.203 23.866 8.729 1.00 0.00 H new ATOM 1470 N PRO A 101 -6.991 26.344 7.887 1.00 0.00 N ATOM 1471 CA PRO A 101 -6.540 27.725 7.695 1.00 0.00 C ATOM 1472 C PRO A 101 -5.271 28.036 8.483 1.00 0.00 C ATOM 1473 O PRO A 101 -4.784 29.166 8.472 1.00 0.00 O ATOM 1474 CB PRO A 101 -7.712 28.557 8.220 1.00 0.00 C ATOM 1475 CG PRO A 101 -8.402 27.667 9.196 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.236 26.269 8.669 1.00 0.00 C ATOM 0 HA PRO A 101 -6.286 27.930 6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.364 29.473 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.381 28.852 7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.965 27.764 10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.457 27.928 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.160 25.542 9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.082 25.970 8.050 1.00 0.00 H new ATOM 1484 N SER A 102 -4.741 27.026 9.164 1.00 0.00 N ATOM 1485 CA SER A 102 -3.531 27.192 9.960 1.00 0.00 C ATOM 1486 C SER A 102 -2.562 28.154 9.280 1.00 0.00 C ATOM 1487 O SER A 102 -2.030 27.863 8.209 1.00 0.00 O ATOM 1488 CB SER A 102 -2.852 25.839 10.184 1.00 0.00 C ATOM 1489 OG SER A 102 -1.532 26.006 10.672 1.00 0.00 O ATOM 0 H SER A 102 -5.131 26.083 9.181 1.00 0.00 H new ATOM 0 HA SER A 102 -3.815 27.611 10.925 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.433 25.250 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.829 25.280 9.248 1.00 0.00 H new ATOM 0 HG SER A 102 -1.120 25.127 10.808 1.00 0.00 H new ATOM 1495 N SER A 103 -2.338 29.303 9.911 1.00 0.00 N ATOM 1496 CA SER A 103 -1.436 30.311 9.367 1.00 0.00 C ATOM 1497 C SER A 103 -0.136 29.674 8.886 1.00 0.00 C ATOM 1498 O SER A 103 0.681 29.223 9.688 1.00 0.00 O ATOM 1499 CB SER A 103 -1.135 31.379 10.420 1.00 0.00 C ATOM 1500 OG SER A 103 -0.799 32.614 9.812 1.00 0.00 O ATOM 0 H SER A 103 -2.769 29.558 10.799 1.00 0.00 H new ATOM 0 HA SER A 103 -1.927 30.780 8.515 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.003 31.512 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.313 31.047 11.055 1.00 0.00 H new ATOM 0 HG SER A 103 -0.613 33.280 10.506 1.00 0.00 H new ATOM 1506 N GLY A 104 0.049 29.641 7.570 1.00 0.00 N ATOM 1507 CA GLY A 104 1.251 29.057 7.004 1.00 0.00 C ATOM 1508 C GLY A 104 1.332 29.240 5.501 1.00 0.00 C ATOM 1509 O GLY A 104 0.532 28.674 4.757 1.00 0.00 O ATOM 0 H GLY A 104 -0.612 30.008 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.126 29.511 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.280 27.993 7.240 1.00 0.00 H new TER 1513 GLY A 104