USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 647 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 38 LYS NZ :NH3+ 158:sc= 0.161 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.25 K(o=-0.088,f=-1.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -35:sc= 0.61 USER MOD Single : A 32 THR OG1 : rot 18:sc= 0.821 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00633 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.95! C(o=-5!,f=-6!) USER MOD Single : A 64 GLN : amide:sc= 0.368 K(o=0.37,f=-0.38) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -51:sc= 0.0124 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.275 USER MOD Single : A 79 SER OG : rot -59:sc= 0.0023 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= -0.15 (180deg=-0.377) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 1.933 -2.734 -3.909 1.00 31.13 N ATOM 12 CA ILE A 2 2.894 -3.802 -3.659 1.00 54.53 C ATOM 13 C ILE A 2 4.306 -3.370 -4.039 1.00 51.22 C ATOM 14 O ILE A 2 5.290 -3.892 -3.514 1.00 12.34 O ATOM 15 CB ILE A 2 2.532 -5.079 -4.440 1.00 54.43 C ATOM 16 CG1 ILE A 2 3.582 -6.165 -4.199 1.00 35.12 C ATOM 17 CG2 ILE A 2 2.409 -4.774 -5.926 1.00 12.02 C ATOM 18 CD1 ILE A 2 3.814 -6.465 -2.735 1.00 24.53 C ATOM 0 HA ILE A 2 2.857 -4.017 -2.591 1.00 54.53 H new ATOM 0 HB ILE A 2 1.569 -5.445 -4.083 1.00 54.43 H new ATOM 0 HG12 ILE A 2 3.270 -7.079 -4.704 1.00 35.12 H new ATOM 0 HG13 ILE A 2 4.524 -5.856 -4.652 1.00 35.12 H new ATOM 0 HG21 ILE A 2 2.153 -5.686 -6.465 1.00 12.02 H new ATOM 0 HG22 ILE A 2 1.628 -4.030 -6.081 1.00 12.02 H new ATOM 0 HG23 ILE A 2 3.358 -4.387 -6.298 1.00 12.02 H new ATOM 0 HD11 ILE A 2 4.570 -7.244 -2.639 1.00 24.53 H new ATOM 0 HD12 ILE A 2 4.156 -5.563 -2.228 1.00 24.53 H new ATOM 0 HD13 ILE A 2 2.883 -6.805 -2.281 1.00 24.53 H new ATOM 30 N THR A 3 4.400 -2.411 -4.956 1.00 34.15 N ATOM 31 CA THR A 3 5.691 -1.908 -5.406 1.00 1.11 C ATOM 32 C THR A 3 6.520 -1.394 -4.234 1.00 60.42 C ATOM 33 O THR A 3 7.746 -1.316 -4.316 1.00 11.00 O ATOM 34 CB THR A 3 5.524 -0.776 -6.437 1.00 43.12 C ATOM 35 OG1 THR A 3 4.781 0.305 -5.863 1.00 22.25 O ATOM 36 CG2 THR A 3 4.814 -1.280 -7.684 1.00 75.31 C ATOM 0 H THR A 3 3.596 -1.968 -5.401 1.00 34.15 H new ATOM 0 HA THR A 3 6.210 -2.744 -5.875 1.00 1.11 H new ATOM 0 HB THR A 3 6.516 -0.424 -6.720 1.00 43.12 H new ATOM 0 HG1 THR A 3 4.681 1.021 -6.525 1.00 22.25 H new ATOM 0 HG21 THR A 3 4.708 -0.463 -8.397 1.00 75.31 H new ATOM 0 HG22 THR A 3 5.397 -2.082 -8.136 1.00 75.31 H new ATOM 0 HG23 THR A 3 3.827 -1.657 -7.414 1.00 75.31 H new ATOM 44 N ASP A 4 5.844 -1.046 -3.145 1.00 30.40 N ATOM 45 CA ASP A 4 6.519 -0.542 -1.955 1.00 11.32 C ATOM 46 C ASP A 4 7.443 -1.602 -1.363 1.00 51.35 C ATOM 47 O ASP A 4 8.372 -1.284 -0.620 1.00 71.32 O ATOM 48 CB ASP A 4 5.493 -0.101 -0.909 1.00 44.43 C ATOM 49 CG ASP A 4 5.569 1.385 -0.615 1.00 21.32 C ATOM 50 OD1 ASP A 4 6.695 1.920 -0.553 1.00 43.21 O ATOM 51 OD2 ASP A 4 4.502 2.011 -0.445 1.00 41.42 O ATOM 0 H ASP A 4 4.829 -1.104 -3.062 1.00 30.40 H new ATOM 0 HA ASP A 4 7.122 0.318 -2.247 1.00 11.32 H new ATOM 0 HB2 ASP A 4 4.491 -0.348 -1.260 1.00 44.43 H new ATOM 0 HB3 ASP A 4 5.655 -0.660 0.013 1.00 44.43 H new ATOM 56 N ILE A 5 7.181 -2.861 -1.698 1.00 13.34 N ATOM 57 CA ILE A 5 7.989 -3.967 -1.200 1.00 13.15 C ATOM 58 C ILE A 5 8.798 -4.606 -2.323 1.00 1.21 C ATOM 59 O ILE A 5 10.009 -4.798 -2.199 1.00 75.12 O ATOM 60 CB ILE A 5 7.116 -5.046 -0.533 1.00 33.41 C ATOM 61 CG1 ILE A 5 5.820 -4.429 -0.002 1.00 22.31 C ATOM 62 CG2 ILE A 5 7.883 -5.729 0.590 1.00 74.13 C ATOM 63 CD1 ILE A 5 6.044 -3.376 1.061 1.00 73.41 C ATOM 0 H ILE A 5 6.416 -3.140 -2.312 1.00 13.34 H new ATOM 0 HA ILE A 5 8.669 -3.551 -0.457 1.00 13.15 H new ATOM 0 HB ILE A 5 6.859 -5.797 -1.280 1.00 33.41 H new ATOM 0 HG12 ILE A 5 5.272 -3.985 -0.833 1.00 22.31 H new ATOM 0 HG13 ILE A 5 5.192 -5.220 0.408 1.00 22.31 H new ATOM 0 HG21 ILE A 5 7.252 -6.489 1.052 1.00 74.13 H new ATOM 0 HG22 ILE A 5 8.780 -6.198 0.185 1.00 74.13 H new ATOM 0 HG23 ILE A 5 8.167 -4.990 1.339 1.00 74.13 H new ATOM 0 HD11 ILE A 5 5.083 -2.982 1.391 1.00 73.41 H new ATOM 0 HD12 ILE A 5 6.565 -3.820 1.909 1.00 73.41 H new ATOM 0 HD13 ILE A 5 6.646 -2.566 0.649 1.00 73.41 H new ATOM 75 N LEU A 6 8.123 -4.932 -3.420 1.00 11.45 N ATOM 76 CA LEU A 6 8.779 -5.548 -4.568 1.00 3.45 C ATOM 77 C LEU A 6 9.167 -4.496 -5.602 1.00 3.10 C ATOM 78 O LEU A 6 9.033 -3.296 -5.362 1.00 42.03 O ATOM 79 CB LEU A 6 7.861 -6.592 -5.205 1.00 24.11 C ATOM 80 CG LEU A 6 8.087 -8.040 -4.768 1.00 13.15 C ATOM 81 CD1 LEU A 6 8.364 -8.109 -3.274 1.00 21.21 C ATOM 82 CD2 LEU A 6 6.884 -8.899 -5.129 1.00 21.50 C ATOM 0 H LEU A 6 7.121 -4.780 -3.539 1.00 11.45 H new ATOM 0 HA LEU A 6 9.687 -6.038 -4.217 1.00 3.45 H new ATOM 0 HB2 LEU A 6 6.828 -6.323 -4.982 1.00 24.11 H new ATOM 0 HB3 LEU A 6 7.978 -6.538 -6.287 1.00 24.11 H new ATOM 0 HG LEU A 6 8.958 -8.428 -5.297 1.00 13.15 H new ATOM 0 HD11 LEU A 6 8.522 -9.147 -2.981 1.00 21.21 H new ATOM 0 HD12 LEU A 6 9.255 -7.526 -3.042 1.00 21.21 H new ATOM 0 HD13 LEU A 6 7.513 -7.703 -2.727 1.00 21.21 H new ATOM 0 HD21 LEU A 6 7.062 -9.926 -4.811 1.00 21.50 H new ATOM 0 HD22 LEU A 6 5.997 -8.512 -4.627 1.00 21.50 H new ATOM 0 HD23 LEU A 6 6.730 -8.875 -6.208 1.00 21.50 H new ATOM 94 N SER A 7 9.647 -4.955 -6.754 1.00 12.33 N ATOM 95 CA SER A 7 10.056 -4.054 -7.825 1.00 14.53 C ATOM 96 C SER A 7 9.185 -4.250 -9.062 1.00 11.00 C ATOM 97 O SER A 7 9.078 -5.356 -9.590 1.00 63.31 O ATOM 98 CB SER A 7 11.526 -4.284 -8.180 1.00 52.50 C ATOM 99 OG SER A 7 12.367 -3.387 -7.476 1.00 1.24 O ATOM 0 H SER A 7 9.762 -5.945 -6.969 1.00 12.33 H new ATOM 0 HA SER A 7 9.931 -3.030 -7.473 1.00 14.53 H new ATOM 0 HB2 SER A 7 11.804 -5.311 -7.942 1.00 52.50 H new ATOM 0 HB3 SER A 7 11.669 -4.155 -9.253 1.00 52.50 H new ATOM 0 HG SER A 7 13.301 -3.556 -7.719 1.00 1.24 H new ATOM 105 N ALA A 8 8.564 -3.167 -9.519 1.00 32.34 N ATOM 106 CA ALA A 8 7.704 -3.219 -10.694 1.00 51.24 C ATOM 107 C ALA A 8 8.461 -3.752 -11.906 1.00 5.33 C ATOM 108 O ALA A 8 7.875 -4.364 -12.798 1.00 54.34 O ATOM 109 CB ALA A 8 7.133 -1.840 -10.991 1.00 74.22 C ATOM 0 H ALA A 8 8.641 -2.243 -9.093 1.00 32.34 H new ATOM 0 HA ALA A 8 6.882 -3.903 -10.482 1.00 51.24 H new ATOM 0 HB1 ALA A 8 6.492 -1.893 -11.871 1.00 74.22 H new ATOM 0 HB2 ALA A 8 6.549 -1.497 -10.137 1.00 74.22 H new ATOM 0 HB3 ALA A 8 7.948 -1.141 -11.177 1.00 74.22 H new ATOM 115 N LYS A 9 9.769 -3.515 -11.931 1.00 54.23 N ATOM 116 CA LYS A 9 10.608 -3.971 -13.033 1.00 30.02 C ATOM 117 C LYS A 9 10.975 -5.442 -12.864 1.00 74.03 C ATOM 118 O LYS A 9 11.499 -6.070 -13.784 1.00 61.12 O ATOM 119 CB LYS A 9 11.880 -3.124 -13.117 1.00 13.11 C ATOM 120 CG LYS A 9 12.397 -2.942 -14.533 1.00 52.04 C ATOM 121 CD LYS A 9 13.167 -1.640 -14.683 1.00 73.51 C ATOM 122 CE LYS A 9 13.852 -1.551 -16.038 1.00 21.10 C ATOM 123 NZ LYS A 9 12.956 -0.971 -17.076 1.00 14.11 N ATOM 0 H LYS A 9 10.270 -3.010 -11.200 1.00 54.23 H new ATOM 0 HA LYS A 9 10.042 -3.859 -13.958 1.00 30.02 H new ATOM 0 HB2 LYS A 9 11.683 -2.144 -12.682 1.00 13.11 H new ATOM 0 HB3 LYS A 9 12.658 -3.591 -12.512 1.00 13.11 H new ATOM 0 HG2 LYS A 9 13.043 -3.780 -14.796 1.00 52.04 H new ATOM 0 HG3 LYS A 9 11.560 -2.953 -15.231 1.00 52.04 H new ATOM 0 HD2 LYS A 9 12.486 -0.797 -14.562 1.00 73.51 H new ATOM 0 HD3 LYS A 9 13.912 -1.564 -13.891 1.00 73.51 H new ATOM 0 HE2 LYS A 9 14.750 -0.940 -15.951 1.00 21.10 H new ATOM 0 HE3 LYS A 9 14.172 -2.545 -16.349 1.00 21.10 H new ATOM 0 HZ1 LYS A 9 13.460 -0.927 -17.985 1.00 14.11 H new ATOM 0 HZ2 LYS A 9 12.110 -1.568 -17.177 1.00 14.11 H new ATOM 0 HZ3 LYS A 9 12.671 -0.012 -16.792 1.00 14.11 H new ATOM 137 N ASP A 10 10.694 -5.986 -11.685 1.00 40.41 N ATOM 138 CA ASP A 10 10.992 -7.384 -11.397 1.00 40.24 C ATOM 139 C ASP A 10 9.722 -8.228 -11.431 1.00 31.14 C ATOM 140 O ASP A 10 9.751 -9.396 -11.820 1.00 25.03 O ATOM 141 CB ASP A 10 11.669 -7.513 -10.032 1.00 42.50 C ATOM 142 CG ASP A 10 12.922 -6.665 -9.925 1.00 33.12 C ATOM 143 OD1 ASP A 10 13.339 -6.092 -10.952 1.00 43.24 O ATOM 144 OD2 ASP A 10 13.485 -6.576 -8.813 1.00 51.15 O ATOM 0 H ASP A 10 10.260 -5.480 -10.913 1.00 40.41 H new ATOM 0 HA ASP A 10 11.671 -7.751 -12.166 1.00 40.24 H new ATOM 0 HB2 ASP A 10 10.967 -7.219 -9.252 1.00 42.50 H new ATOM 0 HB3 ASP A 10 11.924 -8.558 -9.853 1.00 42.50 H new ATOM 149 N ILE A 11 8.609 -7.630 -11.019 1.00 40.14 N ATOM 150 CA ILE A 11 7.329 -8.327 -11.002 1.00 61.14 C ATOM 151 C ILE A 11 6.915 -8.751 -12.408 1.00 2.24 C ATOM 152 O ILE A 11 6.541 -9.901 -12.634 1.00 51.12 O ATOM 153 CB ILE A 11 6.218 -7.450 -10.395 1.00 24.12 C ATOM 154 CG1 ILE A 11 6.566 -7.075 -8.953 1.00 21.23 C ATOM 155 CG2 ILE A 11 4.881 -8.174 -10.452 1.00 3.20 C ATOM 156 CD1 ILE A 11 5.959 -5.763 -8.506 1.00 64.34 C ATOM 0 H ILE A 11 8.568 -6.665 -10.693 1.00 40.14 H new ATOM 0 HA ILE A 11 7.461 -9.213 -10.381 1.00 61.14 H new ATOM 0 HB ILE A 11 6.138 -6.534 -10.980 1.00 24.12 H new ATOM 0 HG12 ILE A 11 6.226 -7.869 -8.288 1.00 21.23 H new ATOM 0 HG13 ILE A 11 7.650 -7.017 -8.853 1.00 21.23 H new ATOM 0 HG21 ILE A 11 4.106 -7.541 -10.019 1.00 3.20 H new ATOM 0 HG22 ILE A 11 4.631 -8.396 -11.490 1.00 3.20 H new ATOM 0 HG23 ILE A 11 4.947 -9.104 -9.888 1.00 3.20 H new ATOM 0 HD11 ILE A 11 6.248 -5.561 -7.474 1.00 64.34 H new ATOM 0 HD12 ILE A 11 6.319 -4.958 -9.147 1.00 64.34 H new ATOM 0 HD13 ILE A 11 4.873 -5.823 -8.574 1.00 64.34 H new ATOM 168 N GLU A 12 6.987 -7.814 -13.348 1.00 2.32 N ATOM 169 CA GLU A 12 6.621 -8.091 -14.732 1.00 34.24 C ATOM 170 C GLU A 12 7.453 -9.239 -15.295 1.00 60.31 C ATOM 171 O GLU A 12 7.000 -9.979 -16.169 1.00 15.43 O ATOM 172 CB GLU A 12 6.808 -6.840 -15.593 1.00 32.42 C ATOM 173 CG GLU A 12 8.258 -6.554 -15.942 1.00 45.51 C ATOM 174 CD GLU A 12 8.495 -5.100 -16.305 1.00 73.31 C ATOM 175 OE1 GLU A 12 7.546 -4.297 -16.187 1.00 42.11 O ATOM 176 OE2 GLU A 12 9.629 -4.767 -16.707 1.00 42.21 O ATOM 0 H GLU A 12 7.295 -6.857 -13.176 1.00 2.32 H new ATOM 0 HA GLU A 12 5.571 -8.382 -14.752 1.00 34.24 H new ATOM 0 HB2 GLU A 12 6.237 -6.954 -16.514 1.00 32.42 H new ATOM 0 HB3 GLU A 12 6.394 -5.981 -15.066 1.00 32.42 H new ATOM 0 HG2 GLU A 12 8.891 -6.821 -15.096 1.00 45.51 H new ATOM 0 HG3 GLU A 12 8.558 -7.187 -16.777 1.00 45.51 H new ATOM 183 N SER A 13 8.674 -9.381 -14.789 1.00 32.51 N ATOM 184 CA SER A 13 9.572 -10.436 -15.244 1.00 61.10 C ATOM 185 C SER A 13 9.233 -11.765 -14.575 1.00 53.24 C ATOM 186 O SER A 13 9.865 -12.786 -14.843 1.00 72.22 O ATOM 187 CB SER A 13 11.025 -10.060 -14.949 1.00 23.13 C ATOM 188 OG SER A 13 11.917 -11.050 -15.431 1.00 74.54 O ATOM 0 H SER A 13 9.064 -8.779 -14.064 1.00 32.51 H new ATOM 0 HA SER A 13 9.444 -10.548 -16.321 1.00 61.10 H new ATOM 0 HB2 SER A 13 11.257 -9.101 -15.412 1.00 23.13 H new ATOM 0 HB3 SER A 13 11.161 -9.936 -13.875 1.00 23.13 H new ATOM 0 HG SER A 13 11.509 -11.935 -15.330 1.00 74.54 H new ATOM 194 N ALA A 14 8.230 -11.742 -13.704 1.00 31.24 N ATOM 195 CA ALA A 14 7.804 -12.944 -12.997 1.00 63.25 C ATOM 196 C ALA A 14 6.310 -13.187 -13.178 1.00 54.31 C ATOM 197 O ALA A 14 5.762 -14.164 -12.665 1.00 43.23 O ATOM 198 CB ALA A 14 8.149 -12.838 -11.519 1.00 51.13 C ATOM 0 H ALA A 14 7.697 -10.904 -13.471 1.00 31.24 H new ATOM 0 HA ALA A 14 8.338 -13.794 -13.423 1.00 63.25 H new ATOM 0 HB1 ALA A 14 7.825 -13.742 -11.004 1.00 51.13 H new ATOM 0 HB2 ALA A 14 9.227 -12.721 -11.404 1.00 51.13 H new ATOM 0 HB3 ALA A 14 7.643 -11.974 -11.088 1.00 51.13 H new ATOM 455 N THR A 32 14.283 -13.043 -10.596 1.00 70.51 N ATOM 456 CA THR A 32 12.913 -13.183 -10.118 1.00 42.44 C ATOM 457 C THR A 32 12.374 -11.854 -9.601 1.00 75.03 C ATOM 458 O THR A 32 13.130 -10.907 -9.386 1.00 12.20 O ATOM 459 CB THR A 32 12.813 -14.235 -8.998 1.00 60.33 C ATOM 460 OG1 THR A 32 14.029 -14.988 -8.923 1.00 50.21 O ATOM 461 CG2 THR A 32 11.643 -15.176 -9.243 1.00 12.02 C ATOM 0 HA THR A 32 12.313 -13.510 -10.967 1.00 42.44 H new ATOM 0 HB THR A 32 12.649 -13.715 -8.054 1.00 60.33 H new ATOM 0 HG1 THR A 32 14.743 -14.503 -9.387 1.00 50.21 H new ATOM 0 HG21 THR A 32 11.592 -15.910 -8.439 1.00 12.02 H new ATOM 0 HG22 THR A 32 10.716 -14.604 -9.271 1.00 12.02 H new ATOM 0 HG23 THR A 32 11.782 -15.689 -10.195 1.00 12.02 H new ATOM 469 N VAL A 33 11.061 -11.791 -9.403 1.00 54.30 N ATOM 470 CA VAL A 33 10.420 -10.578 -8.909 1.00 53.10 C ATOM 471 C VAL A 33 11.135 -10.043 -7.674 1.00 13.44 C ATOM 472 O VAL A 33 11.195 -8.834 -7.453 1.00 52.21 O ATOM 473 CB VAL A 33 8.939 -10.826 -8.565 1.00 0.14 C ATOM 474 CG1 VAL A 33 8.803 -11.996 -7.603 1.00 22.24 C ATOM 475 CG2 VAL A 33 8.311 -9.570 -7.981 1.00 14.41 C ATOM 0 H VAL A 33 10.421 -12.566 -9.577 1.00 54.30 H new ATOM 0 HA VAL A 33 10.481 -9.840 -9.708 1.00 53.10 H new ATOM 0 HB VAL A 33 8.408 -11.078 -9.483 1.00 0.14 H new ATOM 0 HG11 VAL A 33 7.750 -12.156 -7.371 1.00 22.24 H new ATOM 0 HG12 VAL A 33 9.214 -12.895 -8.063 1.00 22.24 H new ATOM 0 HG13 VAL A 33 9.347 -11.777 -6.684 1.00 22.24 H new ATOM 0 HG21 VAL A 33 7.265 -9.763 -7.744 1.00 14.41 H new ATOM 0 HG22 VAL A 33 8.843 -9.286 -7.073 1.00 14.41 H new ATOM 0 HG23 VAL A 33 8.375 -8.760 -8.707 1.00 14.41 H new ATOM 485 N GLY A 34 11.677 -10.952 -6.869 1.00 71.35 N ATOM 486 CA GLY A 34 12.382 -10.552 -5.665 1.00 74.45 C ATOM 487 C GLY A 34 11.748 -11.116 -4.409 1.00 4.02 C ATOM 488 O GLY A 34 12.438 -11.386 -3.424 1.00 51.44 O ATOM 0 H GLY A 34 11.640 -11.959 -7.029 1.00 71.35 H new ATOM 0 HA2 GLY A 34 13.418 -10.885 -5.727 1.00 74.45 H new ATOM 0 HA3 GLY A 34 12.400 -9.464 -5.602 1.00 74.45 H new ATOM 492 N LEU A 35 10.432 -11.293 -4.440 1.00 23.30 N ATOM 493 CA LEU A 35 9.705 -11.827 -3.294 1.00 31.14 C ATOM 494 C LEU A 35 10.366 -13.099 -2.773 1.00 62.34 C ATOM 495 O LEU A 35 10.713 -13.194 -1.596 1.00 43.32 O ATOM 496 CB LEU A 35 8.252 -12.114 -3.675 1.00 55.43 C ATOM 497 CG LEU A 35 7.189 -11.602 -2.702 1.00 33.40 C ATOM 498 CD1 LEU A 35 5.849 -12.267 -2.978 1.00 12.15 C ATOM 499 CD2 LEU A 35 7.621 -11.846 -1.264 1.00 23.44 C ATOM 0 H LEU A 35 9.847 -11.075 -5.246 1.00 23.30 H new ATOM 0 HA LEU A 35 9.726 -11.078 -2.502 1.00 31.14 H new ATOM 0 HB2 LEU A 35 8.061 -11.675 -4.654 1.00 55.43 H new ATOM 0 HB3 LEU A 35 8.131 -13.192 -3.780 1.00 55.43 H new ATOM 0 HG LEU A 35 7.076 -10.528 -2.849 1.00 33.40 H new ATOM 0 HD11 LEU A 35 5.105 -11.891 -2.276 1.00 12.15 H new ATOM 0 HD12 LEU A 35 5.534 -12.041 -3.997 1.00 12.15 H new ATOM 0 HD13 LEU A 35 5.947 -13.346 -2.859 1.00 12.15 H new ATOM 0 HD21 LEU A 35 6.853 -11.475 -0.585 1.00 23.44 H new ATOM 0 HD22 LEU A 35 7.763 -12.915 -1.103 1.00 23.44 H new ATOM 0 HD23 LEU A 35 8.558 -11.323 -1.072 1.00 23.44 H new ATOM 511 N SER A 36 10.539 -14.075 -3.659 1.00 44.14 N ATOM 512 CA SER A 36 11.158 -15.343 -3.290 1.00 1.55 C ATOM 513 C SER A 36 12.620 -15.141 -2.901 1.00 15.21 C ATOM 514 O SER A 36 13.214 -15.978 -2.221 1.00 52.52 O ATOM 515 CB SER A 36 11.059 -16.339 -4.446 1.00 30.31 C ATOM 516 OG SER A 36 9.805 -16.240 -5.099 1.00 20.35 O ATOM 0 H SER A 36 10.259 -14.012 -4.638 1.00 44.14 H new ATOM 0 HA SER A 36 10.623 -15.743 -2.429 1.00 1.55 H new ATOM 0 HB2 SER A 36 11.860 -16.152 -5.161 1.00 30.31 H new ATOM 0 HB3 SER A 36 11.198 -17.353 -4.070 1.00 30.31 H new ATOM 0 HG SER A 36 9.768 -16.886 -5.835 1.00 20.35 H new ATOM 522 N SER A 37 13.193 -14.024 -3.338 1.00 13.13 N ATOM 523 CA SER A 37 14.586 -13.713 -3.040 1.00 12.54 C ATOM 524 C SER A 37 14.685 -12.524 -2.089 1.00 2.34 C ATOM 525 O SER A 37 15.635 -11.743 -2.148 1.00 43.04 O ATOM 526 CB SER A 37 15.351 -13.413 -4.330 1.00 71.12 C ATOM 527 OG SER A 37 14.757 -14.066 -5.438 1.00 71.55 O ATOM 0 H SER A 37 12.714 -13.320 -3.899 1.00 13.13 H new ATOM 0 HA SER A 37 15.031 -14.582 -2.556 1.00 12.54 H new ATOM 0 HB2 SER A 37 15.369 -12.337 -4.504 1.00 71.12 H new ATOM 0 HB3 SER A 37 16.387 -13.736 -4.226 1.00 71.12 H new ATOM 0 HG SER A 37 15.263 -13.857 -6.251 1.00 71.55 H new ATOM 533 N LYS A 38 13.697 -12.392 -1.211 1.00 34.44 N ATOM 534 CA LYS A 38 13.671 -11.301 -0.245 1.00 14.55 C ATOM 535 C LYS A 38 14.033 -11.800 1.151 1.00 53.34 C ATOM 536 O LYS A 38 14.297 -12.986 1.348 1.00 33.31 O ATOM 537 CB LYS A 38 12.287 -10.646 -0.221 1.00 24.25 C ATOM 538 CG LYS A 38 12.123 -9.534 -1.242 1.00 73.31 C ATOM 539 CD LYS A 38 12.245 -8.163 -0.598 1.00 73.24 C ATOM 540 CE LYS A 38 12.457 -7.075 -1.640 1.00 75.41 C ATOM 541 NZ LYS A 38 12.596 -5.730 -1.017 1.00 35.12 N ATOM 0 H LYS A 38 12.902 -13.028 -1.149 1.00 34.44 H new ATOM 0 HA LYS A 38 14.411 -10.562 -0.550 1.00 14.55 H new ATOM 0 HB2 LYS A 38 11.530 -11.409 -0.402 1.00 24.25 H new ATOM 0 HB3 LYS A 38 12.102 -10.244 0.775 1.00 24.25 H new ATOM 0 HG2 LYS A 38 12.878 -9.640 -2.021 1.00 73.31 H new ATOM 0 HG3 LYS A 38 11.151 -9.624 -1.727 1.00 73.31 H new ATOM 0 HD2 LYS A 38 11.344 -7.948 -0.024 1.00 73.24 H new ATOM 0 HD3 LYS A 38 13.078 -8.163 0.105 1.00 73.24 H new ATOM 0 HE2 LYS A 38 13.350 -7.299 -2.223 1.00 75.41 H new ATOM 0 HE3 LYS A 38 11.617 -7.069 -2.334 1.00 75.41 H new ATOM 0 HZ1 LYS A 38 13.094 -5.094 -1.672 1.00 35.12 H new ATOM 0 HZ2 LYS A 38 11.653 -5.344 -0.810 1.00 35.12 H new ATOM 0 HZ3 LYS A 38 13.138 -5.811 -0.133 1.00 35.12 H new ATOM 555 N THR A 39 14.042 -10.887 2.117 1.00 2.20 N ATOM 556 CA THR A 39 14.371 -11.234 3.494 1.00 63.44 C ATOM 557 C THR A 39 13.119 -11.600 4.283 1.00 64.23 C ATOM 558 O THR A 39 12.006 -11.191 3.952 1.00 3.00 O ATOM 559 CB THR A 39 15.095 -10.077 4.208 1.00 54.03 C ATOM 560 OG1 THR A 39 16.350 -10.530 4.727 1.00 41.34 O ATOM 561 CG2 THR A 39 14.243 -9.523 5.339 1.00 15.44 C ATOM 0 H THR A 39 13.825 -9.901 1.971 1.00 2.20 H new ATOM 0 HA THR A 39 15.036 -12.097 3.452 1.00 63.44 H new ATOM 0 HB THR A 39 15.269 -9.283 3.482 1.00 54.03 H new ATOM 0 HG1 THR A 39 16.805 -9.788 5.178 1.00 41.34 H new ATOM 0 HG21 THR A 39 14.774 -8.707 5.829 1.00 15.44 H new ATOM 0 HG22 THR A 39 13.300 -9.152 4.936 1.00 15.44 H new ATOM 0 HG23 THR A 39 14.043 -10.312 6.064 1.00 15.44 H new ATOM 569 N PRO A 40 13.302 -12.389 5.352 1.00 5.21 N ATOM 570 CA PRO A 40 12.198 -12.826 6.212 1.00 43.15 C ATOM 571 C PRO A 40 11.615 -11.681 7.033 1.00 71.40 C ATOM 572 O PRO A 40 11.849 -11.587 8.238 1.00 71.30 O ATOM 573 CB PRO A 40 12.852 -13.863 7.128 1.00 34.22 C ATOM 574 CG PRO A 40 14.292 -13.486 7.161 1.00 44.01 C ATOM 575 CD PRO A 40 14.601 -12.914 5.805 1.00 5.10 C ATOM 0 HA PRO A 40 11.360 -13.216 5.634 1.00 43.15 H new ATOM 0 HB2 PRO A 40 12.414 -13.841 8.126 1.00 34.22 H new ATOM 0 HB3 PRO A 40 12.716 -14.873 6.742 1.00 34.22 H new ATOM 0 HG2 PRO A 40 14.486 -12.755 7.946 1.00 44.01 H new ATOM 0 HG3 PRO A 40 14.918 -14.353 7.371 1.00 44.01 H new ATOM 0 HD2 PRO A 40 15.354 -12.128 5.863 1.00 5.10 H new ATOM 0 HD3 PRO A 40 14.986 -13.675 5.126 1.00 5.10 H new ATOM 583 N ASP A 41 10.855 -10.814 6.374 1.00 74.11 N ATOM 584 CA ASP A 41 10.236 -9.676 7.044 1.00 60.01 C ATOM 585 C ASP A 41 9.429 -8.838 6.058 1.00 55.13 C ATOM 586 O ASP A 41 8.413 -8.244 6.420 1.00 61.52 O ATOM 587 CB ASP A 41 11.304 -8.810 7.714 1.00 15.32 C ATOM 588 CG ASP A 41 10.902 -8.373 9.109 1.00 3.53 C ATOM 589 OD1 ASP A 41 9.687 -8.339 9.394 1.00 70.05 O ATOM 590 OD2 ASP A 41 11.804 -8.063 9.917 1.00 53.04 O ATOM 0 H ASP A 41 10.652 -10.877 5.376 1.00 74.11 H new ATOM 0 HA ASP A 41 9.558 -10.059 7.807 1.00 60.01 H new ATOM 0 HB2 ASP A 41 12.239 -9.367 7.766 1.00 15.32 H new ATOM 0 HB3 ASP A 41 11.491 -7.929 7.100 1.00 15.32 H new ATOM 595 N GLN A 42 9.888 -8.794 4.811 1.00 1.13 N ATOM 596 CA GLN A 42 9.209 -8.027 3.774 1.00 51.21 C ATOM 597 C GLN A 42 8.138 -8.868 3.088 1.00 73.11 C ATOM 598 O GLN A 42 7.118 -8.345 2.637 1.00 2.13 O ATOM 599 CB GLN A 42 10.217 -7.522 2.740 1.00 24.24 C ATOM 600 CG GLN A 42 11.393 -6.776 3.351 1.00 14.01 C ATOM 601 CD GLN A 42 12.259 -6.098 2.308 1.00 12.42 C ATOM 602 OE1 GLN A 42 13.303 -6.619 1.917 1.00 25.34 O ATOM 603 NE2 GLN A 42 11.828 -4.928 1.851 1.00 43.42 N ATOM 0 H GLN A 42 10.727 -9.280 4.495 1.00 1.13 H new ATOM 0 HA GLN A 42 8.726 -7.172 4.248 1.00 51.21 H new ATOM 0 HB2 GLN A 42 10.593 -8.370 2.167 1.00 24.24 H new ATOM 0 HB3 GLN A 42 9.706 -6.864 2.037 1.00 24.24 H new ATOM 0 HG2 GLN A 42 11.020 -6.028 4.050 1.00 14.01 H new ATOM 0 HG3 GLN A 42 12.002 -7.474 3.926 1.00 14.01 H new ATOM 0 HE21 GLN A 42 10.956 -4.533 2.203 1.00 43.42 H new ATOM 0 HE22 GLN A 42 12.369 -4.425 1.148 1.00 43.42 H new ATOM 612 N ILE A 43 8.376 -10.173 3.012 1.00 61.10 N ATOM 613 CA ILE A 43 7.431 -11.086 2.381 1.00 21.34 C ATOM 614 C ILE A 43 6.045 -10.959 3.004 1.00 72.11 C ATOM 615 O ILE A 43 5.046 -10.810 2.299 1.00 65.31 O ATOM 616 CB ILE A 43 7.900 -12.549 2.495 1.00 43.21 C ATOM 617 CG1 ILE A 43 9.241 -12.734 1.782 1.00 42.13 C ATOM 618 CG2 ILE A 43 6.852 -13.488 1.916 1.00 3.33 C ATOM 619 CD1 ILE A 43 9.836 -14.113 1.961 1.00 32.23 C ATOM 0 H ILE A 43 9.215 -10.622 3.379 1.00 61.10 H new ATOM 0 HA ILE A 43 7.381 -10.810 1.328 1.00 21.34 H new ATOM 0 HB ILE A 43 8.034 -12.791 3.549 1.00 43.21 H new ATOM 0 HG12 ILE A 43 9.107 -12.540 0.718 1.00 42.13 H new ATOM 0 HG13 ILE A 43 9.947 -11.992 2.155 1.00 42.13 H new ATOM 0 HG21 ILE A 43 7.198 -14.518 2.004 1.00 3.33 H new ATOM 0 HG22 ILE A 43 5.917 -13.371 2.464 1.00 3.33 H new ATOM 0 HG23 ILE A 43 6.689 -13.248 0.865 1.00 3.33 H new ATOM 0 HD11 ILE A 43 10.785 -14.172 1.429 1.00 32.23 H new ATOM 0 HD12 ILE A 43 10.002 -14.303 3.021 1.00 32.23 H new ATOM 0 HD13 ILE A 43 9.150 -14.860 1.562 1.00 32.23 H new ATOM 631 N LYS A 44 5.990 -11.017 4.330 1.00 4.12 N ATOM 632 CA LYS A 44 4.727 -10.905 5.050 1.00 24.22 C ATOM 633 C LYS A 44 3.953 -9.670 4.601 1.00 34.42 C ATOM 634 O LYS A 44 2.742 -9.729 4.382 1.00 24.53 O ATOM 635 CB LYS A 44 4.980 -10.841 6.558 1.00 23.21 C ATOM 636 CG LYS A 44 6.109 -9.902 6.946 1.00 23.33 C ATOM 637 CD LYS A 44 6.242 -9.783 8.455 1.00 33.23 C ATOM 638 CE LYS A 44 6.992 -10.968 9.044 1.00 33.22 C ATOM 639 NZ LYS A 44 7.443 -10.702 10.438 1.00 2.30 N ATOM 0 H LYS A 44 6.806 -11.141 4.929 1.00 4.12 H new ATOM 0 HA LYS A 44 4.130 -11.788 4.825 1.00 24.22 H new ATOM 0 HB2 LYS A 44 4.065 -10.522 7.058 1.00 23.21 H new ATOM 0 HB3 LYS A 44 5.210 -11.842 6.922 1.00 23.21 H new ATOM 0 HG2 LYS A 44 7.046 -10.265 6.525 1.00 23.33 H new ATOM 0 HG3 LYS A 44 5.927 -8.917 6.517 1.00 23.33 H new ATOM 0 HD2 LYS A 44 6.766 -8.860 8.703 1.00 33.23 H new ATOM 0 HD3 LYS A 44 5.251 -9.718 8.905 1.00 33.23 H new ATOM 0 HE2 LYS A 44 6.348 -11.847 9.032 1.00 33.22 H new ATOM 0 HE3 LYS A 44 7.856 -11.197 8.420 1.00 33.22 H new ATOM 0 HZ1 LYS A 44 7.950 -11.533 10.804 1.00 2.30 H new ATOM 0 HZ2 LYS A 44 8.078 -9.878 10.446 1.00 2.30 H new ATOM 0 HZ3 LYS A 44 6.617 -10.508 11.039 1.00 2.30 H new ATOM 653 N LYS A 45 4.658 -8.553 4.464 1.00 14.52 N ATOM 654 CA LYS A 45 4.037 -7.304 4.038 1.00 4.54 C ATOM 655 C LYS A 45 3.405 -7.453 2.659 1.00 75.03 C ATOM 656 O LYS A 45 2.425 -6.780 2.338 1.00 51.03 O ATOM 657 CB LYS A 45 5.073 -6.177 4.017 1.00 63.33 C ATOM 658 CG LYS A 45 5.176 -5.420 5.329 1.00 0.03 C ATOM 659 CD LYS A 45 6.230 -4.327 5.262 1.00 73.32 C ATOM 660 CE LYS A 45 7.636 -4.906 5.292 1.00 71.41 C ATOM 661 NZ LYS A 45 8.628 -3.927 5.816 1.00 32.32 N ATOM 0 H LYS A 45 5.660 -8.486 4.642 1.00 14.52 H new ATOM 0 HA LYS A 45 3.252 -7.055 4.753 1.00 4.54 H new ATOM 0 HB2 LYS A 45 6.049 -6.597 3.772 1.00 63.33 H new ATOM 0 HB3 LYS A 45 4.819 -5.476 3.222 1.00 63.33 H new ATOM 0 HG2 LYS A 45 4.209 -4.980 5.573 1.00 0.03 H new ATOM 0 HG3 LYS A 45 5.422 -6.115 6.132 1.00 0.03 H new ATOM 0 HD2 LYS A 45 6.095 -3.745 4.351 1.00 73.32 H new ATOM 0 HD3 LYS A 45 6.099 -3.642 6.100 1.00 73.32 H new ATOM 0 HE2 LYS A 45 7.647 -5.802 5.913 1.00 71.41 H new ATOM 0 HE3 LYS A 45 7.924 -5.212 4.286 1.00 71.41 H new ATOM 0 HZ1 LYS A 45 9.574 -4.360 5.821 1.00 32.32 H new ATOM 0 HZ2 LYS A 45 8.636 -3.083 5.209 1.00 32.32 H new ATOM 0 HZ3 LYS A 45 8.368 -3.654 6.785 1.00 32.32 H new ATOM 675 N VAL A 46 3.970 -8.341 1.846 1.00 13.43 N ATOM 676 CA VAL A 46 3.459 -8.580 0.502 1.00 71.31 C ATOM 677 C VAL A 46 2.216 -9.462 0.535 1.00 33.14 C ATOM 678 O VAL A 46 1.412 -9.457 -0.397 1.00 41.43 O ATOM 679 CB VAL A 46 4.522 -9.245 -0.392 1.00 43.14 C ATOM 680 CG1 VAL A 46 3.943 -9.567 -1.762 1.00 4.24 C ATOM 681 CG2 VAL A 46 5.746 -8.350 -0.519 1.00 22.43 C ATOM 0 H VAL A 46 4.782 -8.906 2.095 1.00 13.43 H new ATOM 0 HA VAL A 46 3.200 -7.607 0.085 1.00 71.31 H new ATOM 0 HB VAL A 46 4.830 -10.181 0.075 1.00 43.14 H new ATOM 0 HG11 VAL A 46 4.709 -10.036 -2.380 1.00 4.24 H new ATOM 0 HG12 VAL A 46 3.100 -10.248 -1.650 1.00 4.24 H new ATOM 0 HG13 VAL A 46 3.605 -8.647 -2.240 1.00 4.24 H new ATOM 0 HG21 VAL A 46 6.487 -8.835 -1.154 1.00 22.43 H new ATOM 0 HG22 VAL A 46 5.456 -7.398 -0.963 1.00 22.43 H new ATOM 0 HG23 VAL A 46 6.173 -8.175 0.469 1.00 22.43 H new ATOM 691 N PHE A 47 2.063 -10.219 1.617 1.00 61.21 N ATOM 692 CA PHE A 47 0.917 -11.108 1.773 1.00 43.34 C ATOM 693 C PHE A 47 -0.299 -10.342 2.285 1.00 10.01 C ATOM 694 O PHE A 47 -1.438 -10.763 2.091 1.00 75.20 O ATOM 695 CB PHE A 47 1.257 -12.249 2.733 1.00 61.30 C ATOM 696 CG PHE A 47 0.104 -12.665 3.601 1.00 24.52 C ATOM 697 CD1 PHE A 47 -0.910 -13.462 3.094 1.00 25.43 C ATOM 698 CD2 PHE A 47 0.035 -12.260 4.924 1.00 32.34 C ATOM 699 CE1 PHE A 47 -1.972 -13.846 3.891 1.00 3.00 C ATOM 700 CE2 PHE A 47 -1.025 -12.641 5.726 1.00 22.21 C ATOM 701 CZ PHE A 47 -2.029 -13.436 5.209 1.00 42.12 C ATOM 0 H PHE A 47 2.718 -10.235 2.399 1.00 61.21 H new ATOM 0 HA PHE A 47 0.676 -11.525 0.795 1.00 43.34 H new ATOM 0 HB2 PHE A 47 1.596 -13.109 2.156 1.00 61.30 H new ATOM 0 HB3 PHE A 47 2.088 -11.943 3.368 1.00 61.30 H new ATOM 0 HD1 PHE A 47 -0.870 -13.787 2.065 1.00 25.43 H new ATOM 0 HD2 PHE A 47 0.818 -11.639 5.334 1.00 32.34 H new ATOM 0 HE1 PHE A 47 -2.757 -14.466 3.484 1.00 3.00 H new ATOM 0 HE2 PHE A 47 -1.068 -12.317 6.755 1.00 22.21 H new ATOM 0 HZ PHE A 47 -2.857 -13.737 5.834 1.00 42.12 H new ATOM 711 N GLY A 48 -0.047 -9.214 2.942 1.00 51.52 N ATOM 712 CA GLY A 48 -1.130 -8.407 3.473 1.00 12.20 C ATOM 713 C GLY A 48 -1.904 -7.687 2.386 1.00 32.43 C ATOM 714 O GLY A 48 -2.927 -7.057 2.657 1.00 4.23 O ATOM 0 H GLY A 48 0.888 -8.845 3.116 1.00 51.52 H new ATOM 0 HA2 GLY A 48 -1.810 -9.044 4.038 1.00 12.20 H new ATOM 0 HA3 GLY A 48 -0.725 -7.675 4.172 1.00 12.20 H new ATOM 718 N ILE A 49 -1.416 -7.780 1.154 1.00 21.11 N ATOM 719 CA ILE A 49 -2.069 -7.132 0.023 1.00 21.34 C ATOM 720 C ILE A 49 -2.969 -8.109 -0.725 1.00 62.45 C ATOM 721 O ILE A 49 -3.773 -7.709 -1.568 1.00 14.02 O ATOM 722 CB ILE A 49 -1.040 -6.543 -0.959 1.00 63.33 C ATOM 723 CG1 ILE A 49 0.002 -5.715 -0.205 1.00 2.12 C ATOM 724 CG2 ILE A 49 -1.738 -5.695 -2.012 1.00 25.20 C ATOM 725 CD1 ILE A 49 1.134 -5.225 -1.081 1.00 11.44 C ATOM 0 H ILE A 49 -0.571 -8.298 0.913 1.00 21.11 H new ATOM 0 HA ILE A 49 -2.675 -6.322 0.429 1.00 21.34 H new ATOM 0 HB ILE A 49 -0.529 -7.364 -1.462 1.00 63.33 H new ATOM 0 HG12 ILE A 49 -0.490 -4.857 0.253 1.00 2.12 H new ATOM 0 HG13 ILE A 49 0.415 -6.316 0.605 1.00 2.12 H new ATOM 0 HG21 ILE A 49 -0.997 -5.285 -2.699 1.00 25.20 H new ATOM 0 HG22 ILE A 49 -2.445 -6.312 -2.566 1.00 25.20 H new ATOM 0 HG23 ILE A 49 -2.273 -4.879 -1.526 1.00 25.20 H new ATOM 0 HD11 ILE A 49 1.835 -4.645 -0.480 1.00 11.44 H new ATOM 0 HD12 ILE A 49 1.651 -6.079 -1.519 1.00 11.44 H new ATOM 0 HD13 ILE A 49 0.733 -4.597 -1.877 1.00 11.44 H new ATOM 737 N LEU A 50 -2.829 -9.393 -0.412 1.00 40.32 N ATOM 738 CA LEU A 50 -3.631 -10.429 -1.054 1.00 2.30 C ATOM 739 C LEU A 50 -4.993 -10.558 -0.381 1.00 33.25 C ATOM 740 O LEU A 50 -6.031 -10.513 -1.042 1.00 4.50 O ATOM 741 CB LEU A 50 -2.897 -11.770 -1.009 1.00 33.33 C ATOM 742 CG LEU A 50 -1.370 -11.700 -1.002 1.00 22.22 C ATOM 743 CD1 LEU A 50 -0.772 -13.098 -0.960 1.00 4.23 C ATOM 744 CD2 LEU A 50 -0.865 -10.939 -2.219 1.00 15.41 C ATOM 0 H LEU A 50 -2.168 -9.741 0.282 1.00 40.32 H new ATOM 0 HA LEU A 50 -3.787 -10.142 -2.094 1.00 2.30 H new ATOM 0 HB2 LEU A 50 -3.220 -12.308 -0.118 1.00 33.33 H new ATOM 0 HB3 LEU A 50 -3.210 -12.361 -1.870 1.00 33.33 H new ATOM 0 HG LEU A 50 -1.054 -11.164 -0.107 1.00 22.22 H new ATOM 0 HD11 LEU A 50 0.316 -13.028 -0.956 1.00 4.23 H new ATOM 0 HD12 LEU A 50 -1.107 -13.610 -0.058 1.00 4.23 H new ATOM 0 HD13 LEU A 50 -1.096 -13.659 -1.837 1.00 4.23 H new ATOM 0 HD21 LEU A 50 0.224 -10.899 -2.197 1.00 15.41 H new ATOM 0 HD22 LEU A 50 -1.191 -11.447 -3.127 1.00 15.41 H new ATOM 0 HD23 LEU A 50 -1.265 -9.925 -2.206 1.00 15.41 H new ATOM 756 N ASP A 51 -4.983 -10.718 0.938 1.00 3.42 N ATOM 757 CA ASP A 51 -6.218 -10.850 1.702 1.00 22.23 C ATOM 758 C ASP A 51 -7.244 -9.811 1.261 1.00 70.42 C ATOM 759 O ASP A 51 -6.891 -8.785 0.680 1.00 33.41 O ATOM 760 CB ASP A 51 -5.935 -10.703 3.198 1.00 14.52 C ATOM 761 CG ASP A 51 -4.814 -11.609 3.668 1.00 54.30 C ATOM 762 OD1 ASP A 51 -3.679 -11.453 3.173 1.00 40.25 O ATOM 763 OD2 ASP A 51 -5.073 -12.474 4.531 1.00 63.45 O ATOM 0 H ASP A 51 -4.133 -10.759 1.500 1.00 3.42 H new ATOM 0 HA ASP A 51 -6.629 -11.842 1.513 1.00 22.23 H new ATOM 0 HB2 ASP A 51 -5.676 -9.667 3.415 1.00 14.52 H new ATOM 0 HB3 ASP A 51 -6.841 -10.930 3.760 1.00 14.52 H new ATOM 768 N GLN A 52 -8.514 -10.086 1.539 1.00 32.35 N ATOM 769 CA GLN A 52 -9.591 -9.176 1.169 1.00 13.10 C ATOM 770 C GLN A 52 -9.959 -8.265 2.335 1.00 12.34 C ATOM 771 O GLN A 52 -10.116 -7.056 2.166 1.00 54.55 O ATOM 772 CB GLN A 52 -10.821 -9.965 0.715 1.00 2.31 C ATOM 773 CG GLN A 52 -11.351 -10.924 1.768 1.00 22.32 C ATOM 774 CD GLN A 52 -12.474 -11.799 1.248 1.00 33.20 C ATOM 775 OE1 GLN A 52 -12.908 -11.658 0.104 1.00 24.21 O ATOM 776 NE2 GLN A 52 -12.953 -12.710 2.087 1.00 22.14 N ATOM 0 H GLN A 52 -8.822 -10.932 2.019 1.00 32.35 H new ATOM 0 HA GLN A 52 -9.241 -8.556 0.344 1.00 13.10 H new ATOM 0 HB2 GLN A 52 -11.611 -9.265 0.442 1.00 2.31 H new ATOM 0 HB3 GLN A 52 -10.570 -10.528 -0.184 1.00 2.31 H new ATOM 0 HG2 GLN A 52 -10.536 -11.556 2.121 1.00 22.32 H new ATOM 0 HG3 GLN A 52 -11.707 -10.354 2.626 1.00 22.32 H new ATOM 0 HE21 GLN A 52 -12.564 -12.793 3.026 1.00 22.14 H new ATOM 0 HE22 GLN A 52 -13.710 -13.327 1.792 1.00 22.14 H new ATOM 837 N PHE A 57 -6.672 -15.107 7.937 1.00 42.32 N ATOM 838 CA PHE A 57 -6.083 -16.010 6.955 1.00 42.43 C ATOM 839 C PHE A 57 -6.865 -15.974 5.645 1.00 50.40 C ATOM 840 O PHE A 57 -7.944 -15.385 5.570 1.00 3.51 O ATOM 841 CB PHE A 57 -6.047 -17.438 7.501 1.00 23.31 C ATOM 842 CG PHE A 57 -5.373 -17.552 8.839 1.00 41.43 C ATOM 843 CD1 PHE A 57 -6.101 -17.415 10.010 1.00 41.13 C ATOM 844 CD2 PHE A 57 -4.012 -17.795 8.925 1.00 23.32 C ATOM 845 CE1 PHE A 57 -5.483 -17.518 11.242 1.00 52.03 C ATOM 846 CE2 PHE A 57 -3.388 -17.900 10.155 1.00 55.25 C ATOM 847 CZ PHE A 57 -4.126 -17.762 11.314 1.00 4.12 C ATOM 0 HA PHE A 57 -5.064 -15.678 6.759 1.00 42.43 H new ATOM 0 HB2 PHE A 57 -7.067 -17.812 7.584 1.00 23.31 H new ATOM 0 HB3 PHE A 57 -5.530 -18.079 6.787 1.00 23.31 H new ATOM 0 HD1 PHE A 57 -7.163 -17.226 9.959 1.00 41.13 H new ATOM 0 HD2 PHE A 57 -3.431 -17.904 8.021 1.00 23.32 H new ATOM 0 HE1 PHE A 57 -6.061 -17.408 12.148 1.00 52.03 H new ATOM 0 HE2 PHE A 57 -2.326 -18.089 10.209 1.00 55.25 H new ATOM 0 HZ PHE A 57 -3.642 -17.845 12.276 1.00 4.12 H new ATOM 857 N ILE A 58 -6.313 -16.607 4.616 1.00 40.03 N ATOM 858 CA ILE A 58 -6.958 -16.648 3.309 1.00 34.14 C ATOM 859 C ILE A 58 -7.334 -18.076 2.927 1.00 53.54 C ATOM 860 O ILE A 58 -6.515 -18.989 3.020 1.00 73.12 O ATOM 861 CB ILE A 58 -6.051 -16.057 2.214 1.00 11.13 C ATOM 862 CG1 ILE A 58 -5.964 -14.536 2.359 1.00 31.35 C ATOM 863 CG2 ILE A 58 -6.571 -16.434 0.835 1.00 11.11 C ATOM 864 CD1 ILE A 58 -4.826 -13.919 1.577 1.00 54.31 C ATOM 0 H ILE A 58 -5.421 -17.099 4.662 1.00 40.03 H new ATOM 0 HA ILE A 58 -7.862 -16.044 3.384 1.00 34.14 H new ATOM 0 HB ILE A 58 -5.050 -16.472 2.329 1.00 11.13 H new ATOM 0 HG12 ILE A 58 -6.904 -14.093 2.028 1.00 31.35 H new ATOM 0 HG13 ILE A 58 -5.847 -14.286 3.413 1.00 31.35 H new ATOM 0 HG21 ILE A 58 -5.919 -16.009 0.072 1.00 11.11 H new ATOM 0 HG22 ILE A 58 -6.586 -17.519 0.736 1.00 11.11 H new ATOM 0 HG23 ILE A 58 -7.581 -16.044 0.708 1.00 11.11 H new ATOM 0 HD11 ILE A 58 -4.825 -12.839 1.726 1.00 54.31 H new ATOM 0 HD12 ILE A 58 -3.879 -14.334 1.923 1.00 54.31 H new ATOM 0 HD13 ILE A 58 -4.952 -14.138 0.517 1.00 54.31 H new ATOM 876 N GLU A 59 -8.578 -18.259 2.494 1.00 0.52 N ATOM 877 CA GLU A 59 -9.062 -19.575 2.096 1.00 24.31 C ATOM 878 C GLU A 59 -9.001 -19.742 0.580 1.00 10.15 C ATOM 879 O GLU A 59 -8.766 -18.780 -0.150 1.00 74.24 O ATOM 880 CB GLU A 59 -10.496 -19.786 2.586 1.00 24.25 C ATOM 881 CG GLU A 59 -10.637 -19.725 4.098 1.00 13.30 C ATOM 882 CD GLU A 59 -12.064 -19.951 4.560 1.00 24.50 C ATOM 883 OE1 GLU A 59 -12.993 -19.695 3.766 1.00 2.35 O ATOM 884 OE2 GLU A 59 -12.250 -20.386 5.716 1.00 71.31 O ATOM 0 H GLU A 59 -9.268 -17.513 2.410 1.00 0.52 H new ATOM 0 HA GLU A 59 -8.416 -20.324 2.553 1.00 24.31 H new ATOM 0 HB2 GLU A 59 -11.139 -19.028 2.139 1.00 24.25 H new ATOM 0 HB3 GLU A 59 -10.852 -20.754 2.235 1.00 24.25 H new ATOM 0 HG2 GLU A 59 -9.989 -20.476 4.550 1.00 13.30 H new ATOM 0 HG3 GLU A 59 -10.294 -18.753 4.452 1.00 13.30 H new ATOM 891 N GLU A 60 -9.214 -20.969 0.117 1.00 62.51 N ATOM 892 CA GLU A 60 -9.182 -21.262 -1.311 1.00 61.23 C ATOM 893 C GLU A 60 -10.083 -20.303 -2.084 1.00 3.44 C ATOM 894 O GLU A 60 -9.849 -20.027 -3.260 1.00 24.03 O ATOM 895 CB GLU A 60 -9.617 -22.706 -1.568 1.00 74.34 C ATOM 896 CG GLU A 60 -9.230 -23.223 -2.944 1.00 34.01 C ATOM 897 CD GLU A 60 -10.362 -23.115 -3.947 1.00 51.03 C ATOM 898 OE1 GLU A 60 -11.364 -23.844 -3.793 1.00 52.40 O ATOM 899 OE2 GLU A 60 -10.245 -22.301 -4.887 1.00 41.22 O ATOM 0 H GLU A 60 -9.410 -21.776 0.709 1.00 62.51 H new ATOM 0 HA GLU A 60 -8.157 -21.131 -1.659 1.00 61.23 H new ATOM 0 HB2 GLU A 60 -9.174 -23.351 -0.809 1.00 74.34 H new ATOM 0 HB3 GLU A 60 -10.699 -22.776 -1.454 1.00 74.34 H new ATOM 0 HG2 GLU A 60 -8.370 -22.662 -3.310 1.00 34.01 H new ATOM 0 HG3 GLU A 60 -8.920 -24.265 -2.863 1.00 34.01 H new ATOM 906 N GLU A 61 -11.113 -19.798 -1.412 1.00 74.14 N ATOM 907 CA GLU A 61 -12.050 -18.871 -2.036 1.00 50.32 C ATOM 908 C GLU A 61 -11.353 -17.569 -2.419 1.00 44.35 C ATOM 909 O GLU A 61 -11.505 -17.078 -3.537 1.00 45.35 O ATOM 910 CB GLU A 61 -13.218 -18.578 -1.091 1.00 45.25 C ATOM 911 CG GLU A 61 -13.914 -19.827 -0.578 1.00 65.24 C ATOM 912 CD GLU A 61 -14.754 -20.506 -1.643 1.00 3.22 C ATOM 913 OE1 GLU A 61 -14.171 -21.172 -2.524 1.00 34.24 O ATOM 914 OE2 GLU A 61 -15.994 -20.370 -1.594 1.00 73.21 O ATOM 0 H GLU A 61 -11.319 -20.015 -0.437 1.00 74.14 H new ATOM 0 HA GLU A 61 -12.434 -19.338 -2.943 1.00 50.32 H new ATOM 0 HB2 GLU A 61 -12.851 -18.002 -0.242 1.00 45.25 H new ATOM 0 HB3 GLU A 61 -13.946 -17.954 -1.609 1.00 45.25 H new ATOM 0 HG2 GLU A 61 -13.167 -20.529 -0.208 1.00 65.24 H new ATOM 0 HG3 GLU A 61 -14.550 -19.563 0.267 1.00 65.24 H new ATOM 921 N GLU A 62 -10.588 -17.016 -1.483 1.00 14.52 N ATOM 922 CA GLU A 62 -9.869 -15.770 -1.722 1.00 41.02 C ATOM 923 C GLU A 62 -8.486 -16.044 -2.307 1.00 32.13 C ATOM 924 O GLU A 62 -7.761 -15.119 -2.676 1.00 74.24 O ATOM 925 CB GLU A 62 -9.737 -14.974 -0.422 1.00 45.34 C ATOM 926 CG GLU A 62 -10.752 -13.851 -0.290 1.00 42.03 C ATOM 927 CD GLU A 62 -12.181 -14.357 -0.268 1.00 12.34 C ATOM 928 OE1 GLU A 62 -12.547 -15.061 0.696 1.00 23.23 O ATOM 929 OE2 GLU A 62 -12.934 -14.047 -1.215 1.00 34.14 O ATOM 0 H GLU A 62 -10.450 -17.411 -0.553 1.00 14.52 H new ATOM 0 HA GLU A 62 -10.439 -15.183 -2.442 1.00 41.02 H new ATOM 0 HB2 GLU A 62 -9.848 -15.654 0.423 1.00 45.34 H new ATOM 0 HB3 GLU A 62 -8.733 -14.554 -0.364 1.00 45.34 H new ATOM 0 HG2 GLU A 62 -10.554 -13.293 0.625 1.00 42.03 H new ATOM 0 HG3 GLU A 62 -10.629 -13.156 -1.120 1.00 42.03 H new ATOM 936 N LEU A 63 -8.127 -17.320 -2.387 1.00 23.44 N ATOM 937 CA LEU A 63 -6.831 -17.718 -2.925 1.00 43.04 C ATOM 938 C LEU A 63 -6.835 -17.664 -4.450 1.00 32.42 C ATOM 939 O LEU A 63 -5.793 -17.477 -5.076 1.00 44.42 O ATOM 940 CB LEU A 63 -6.471 -19.128 -2.454 1.00 73.23 C ATOM 941 CG LEU A 63 -4.979 -19.425 -2.301 1.00 50.31 C ATOM 942 CD1 LEU A 63 -4.369 -18.548 -1.218 1.00 70.05 C ATOM 943 CD2 LEU A 63 -4.757 -20.897 -1.986 1.00 15.24 C ATOM 0 H LEU A 63 -8.715 -18.097 -2.086 1.00 23.44 H new ATOM 0 HA LEU A 63 -6.082 -17.017 -2.557 1.00 43.04 H new ATOM 0 HB2 LEU A 63 -6.956 -19.303 -1.494 1.00 73.23 H new ATOM 0 HB3 LEU A 63 -6.893 -19.844 -3.160 1.00 73.23 H new ATOM 0 HG LEU A 63 -4.484 -19.198 -3.245 1.00 50.31 H new ATOM 0 HD11 LEU A 63 -3.307 -18.773 -1.123 1.00 70.05 H new ATOM 0 HD12 LEU A 63 -4.495 -17.499 -1.485 1.00 70.05 H new ATOM 0 HD13 LEU A 63 -4.867 -18.743 -0.268 1.00 70.05 H new ATOM 0 HD21 LEU A 63 -3.689 -21.090 -1.881 1.00 15.24 H new ATOM 0 HD22 LEU A 63 -5.265 -21.151 -1.056 1.00 15.24 H new ATOM 0 HD23 LEU A 63 -5.157 -21.507 -2.796 1.00 15.24 H new ATOM 955 N GLN A 64 -8.015 -17.829 -5.039 1.00 51.31 N ATOM 956 CA GLN A 64 -8.155 -17.797 -6.490 1.00 64.42 C ATOM 957 C GLN A 64 -7.909 -16.392 -7.031 1.00 34.45 C ATOM 958 O GLN A 64 -7.896 -16.176 -8.243 1.00 5.20 O ATOM 959 CB GLN A 64 -9.548 -18.278 -6.900 1.00 63.32 C ATOM 960 CG GLN A 64 -10.638 -17.241 -6.684 1.00 45.20 C ATOM 961 CD GLN A 64 -12.010 -17.743 -7.088 1.00 43.11 C ATOM 962 OE1 GLN A 64 -12.255 -18.042 -8.257 1.00 44.54 O ATOM 963 NE2 GLN A 64 -12.914 -17.839 -6.120 1.00 41.04 N ATOM 0 H GLN A 64 -8.887 -17.986 -4.534 1.00 51.31 H new ATOM 0 HA GLN A 64 -7.407 -18.466 -6.916 1.00 64.42 H new ATOM 0 HB2 GLN A 64 -9.530 -18.561 -7.953 1.00 63.32 H new ATOM 0 HB3 GLN A 64 -9.795 -19.176 -6.333 1.00 63.32 H new ATOM 0 HG2 GLN A 64 -10.656 -16.952 -5.633 1.00 45.20 H new ATOM 0 HG3 GLN A 64 -10.400 -16.345 -7.257 1.00 45.20 H new ATOM 0 HE21 GLN A 64 -12.668 -17.580 -5.165 1.00 41.04 H new ATOM 0 HE22 GLN A 64 -13.855 -18.171 -6.332 1.00 41.04 H new ATOM 972 N LEU A 65 -7.717 -15.441 -6.124 1.00 4.20 N ATOM 973 CA LEU A 65 -7.472 -14.055 -6.509 1.00 61.24 C ATOM 974 C LEU A 65 -5.996 -13.700 -6.358 1.00 32.33 C ATOM 975 O LEU A 65 -5.632 -12.526 -6.298 1.00 54.43 O ATOM 976 CB LEU A 65 -8.325 -13.111 -5.661 1.00 12.11 C ATOM 977 CG LEU A 65 -9.722 -13.615 -5.295 1.00 4.45 C ATOM 978 CD1 LEU A 65 -10.328 -12.754 -4.197 1.00 35.51 C ATOM 979 CD2 LEU A 65 -10.622 -13.630 -6.521 1.00 62.43 C ATOM 0 H LEU A 65 -7.726 -15.604 -5.117 1.00 4.20 H new ATOM 0 HA LEU A 65 -7.748 -13.941 -7.557 1.00 61.24 H new ATOM 0 HB2 LEU A 65 -7.785 -12.895 -4.739 1.00 12.11 H new ATOM 0 HB3 LEU A 65 -8.430 -12.168 -6.197 1.00 12.11 H new ATOM 0 HG LEU A 65 -9.634 -14.635 -4.922 1.00 4.45 H new ATOM 0 HD11 LEU A 65 -11.322 -13.127 -3.949 1.00 35.51 H new ATOM 0 HD12 LEU A 65 -9.694 -12.794 -3.311 1.00 35.51 H new ATOM 0 HD13 LEU A 65 -10.403 -11.723 -4.543 1.00 35.51 H new ATOM 0 HD21 LEU A 65 -11.612 -13.991 -6.241 1.00 62.43 H new ATOM 0 HD22 LEU A 65 -10.705 -12.621 -6.924 1.00 62.43 H new ATOM 0 HD23 LEU A 65 -10.196 -14.289 -7.277 1.00 62.43 H new ATOM 991 N PHE A 66 -5.150 -14.723 -6.297 1.00 71.25 N ATOM 992 CA PHE A 66 -3.713 -14.520 -6.154 1.00 53.51 C ATOM 993 C PHE A 66 -3.139 -13.815 -7.380 1.00 21.12 C ATOM 994 O PHE A 66 -2.078 -13.193 -7.312 1.00 62.13 O ATOM 995 CB PHE A 66 -3.005 -15.859 -5.943 1.00 72.55 C ATOM 996 CG PHE A 66 -1.507 -15.749 -5.924 1.00 34.41 C ATOM 997 CD1 PHE A 66 -0.839 -15.413 -4.758 1.00 34.45 C ATOM 998 CD2 PHE A 66 -0.768 -15.982 -7.072 1.00 45.42 C ATOM 999 CE1 PHE A 66 0.539 -15.312 -4.736 1.00 11.41 C ATOM 1000 CE2 PHE A 66 0.611 -15.882 -7.057 1.00 11.35 C ATOM 1001 CZ PHE A 66 1.265 -15.545 -5.887 1.00 72.24 C ATOM 0 H PHE A 66 -5.435 -15.701 -6.344 1.00 71.25 H new ATOM 0 HA PHE A 66 -3.546 -13.888 -5.282 1.00 53.51 H new ATOM 0 HB2 PHE A 66 -3.341 -16.294 -5.002 1.00 72.55 H new ATOM 0 HB3 PHE A 66 -3.301 -16.546 -6.736 1.00 72.55 H new ATOM 0 HD1 PHE A 66 -1.402 -15.228 -3.855 1.00 34.45 H new ATOM 0 HD2 PHE A 66 -1.274 -16.245 -7.989 1.00 45.42 H new ATOM 0 HE1 PHE A 66 1.047 -15.051 -3.820 1.00 11.41 H new ATOM 0 HE2 PHE A 66 1.176 -16.067 -7.958 1.00 11.35 H new ATOM 0 HZ PHE A 66 2.342 -15.464 -5.873 1.00 72.24 H new ATOM 1011 N LEU A 67 -3.847 -13.918 -8.499 1.00 44.33 N ATOM 1012 CA LEU A 67 -3.408 -13.291 -9.742 1.00 32.43 C ATOM 1013 C LEU A 67 -3.973 -11.880 -9.869 1.00 72.31 C ATOM 1014 O LEU A 67 -3.749 -11.198 -10.869 1.00 1.31 O ATOM 1015 CB LEU A 67 -3.840 -14.136 -10.942 1.00 22.13 C ATOM 1016 CG LEU A 67 -2.973 -15.357 -11.250 1.00 23.45 C ATOM 1017 CD1 LEU A 67 -3.616 -16.210 -12.332 1.00 52.11 C ATOM 1018 CD2 LEU A 67 -1.574 -14.927 -11.668 1.00 14.10 C ATOM 0 H LEU A 67 -4.727 -14.429 -8.572 1.00 44.33 H new ATOM 0 HA LEU A 67 -2.320 -13.226 -9.724 1.00 32.43 H new ATOM 0 HB2 LEU A 67 -4.862 -14.475 -10.773 1.00 22.13 H new ATOM 0 HB3 LEU A 67 -3.858 -13.496 -11.824 1.00 22.13 H new ATOM 0 HG LEU A 67 -2.891 -15.957 -10.344 1.00 23.45 H new ATOM 0 HD11 LEU A 67 -2.984 -17.074 -12.537 1.00 52.11 H new ATOM 0 HD12 LEU A 67 -4.595 -16.549 -11.994 1.00 52.11 H new ATOM 0 HD13 LEU A 67 -3.730 -15.620 -13.241 1.00 52.11 H new ATOM 0 HD21 LEU A 67 -0.971 -15.809 -11.883 1.00 14.10 H new ATOM 0 HD22 LEU A 67 -1.636 -14.304 -12.560 1.00 14.10 H new ATOM 0 HD23 LEU A 67 -1.111 -14.360 -10.860 1.00 14.10 H new ATOM 1030 N LYS A 68 -4.706 -11.448 -8.849 1.00 1.44 N ATOM 1031 CA LYS A 68 -5.301 -10.116 -8.843 1.00 62.53 C ATOM 1032 C LYS A 68 -4.424 -9.132 -8.076 1.00 52.20 C ATOM 1033 O LYS A 68 -4.555 -7.919 -8.232 1.00 2.42 O ATOM 1034 CB LYS A 68 -6.699 -10.163 -8.222 1.00 44.41 C ATOM 1035 CG LYS A 68 -7.623 -11.173 -8.879 1.00 30.12 C ATOM 1036 CD LYS A 68 -8.046 -10.722 -10.267 1.00 32.22 C ATOM 1037 CE LYS A 68 -9.556 -10.565 -10.366 1.00 3.54 C ATOM 1038 NZ LYS A 68 -9.970 -9.136 -10.299 1.00 3.42 N ATOM 0 H LYS A 68 -4.903 -12.001 -8.015 1.00 1.44 H new ATOM 0 HA LYS A 68 -5.380 -9.775 -9.875 1.00 62.53 H new ATOM 0 HB2 LYS A 68 -6.609 -10.401 -7.162 1.00 44.41 H new ATOM 0 HB3 LYS A 68 -7.150 -9.173 -8.289 1.00 44.41 H new ATOM 0 HG2 LYS A 68 -7.120 -12.138 -8.947 1.00 30.12 H new ATOM 0 HG3 LYS A 68 -8.507 -11.317 -8.257 1.00 30.12 H new ATOM 0 HD2 LYS A 68 -7.564 -9.774 -10.505 1.00 32.22 H new ATOM 0 HD3 LYS A 68 -7.705 -11.447 -11.006 1.00 32.22 H new ATOM 0 HE2 LYS A 68 -9.906 -11.001 -11.302 1.00 3.54 H new ATOM 0 HE3 LYS A 68 -10.033 -11.120 -9.558 1.00 3.54 H new ATOM 0 HZ1 LYS A 68 -11.006 -9.071 -10.370 1.00 3.42 H new ATOM 0 HZ2 LYS A 68 -9.658 -8.726 -9.395 1.00 3.42 H new ATOM 0 HZ3 LYS A 68 -9.536 -8.612 -11.085 1.00 3.42 H new ATOM 1052 N ASN A 69 -3.530 -9.663 -7.248 1.00 51.04 N ATOM 1053 CA ASN A 69 -2.631 -8.830 -6.458 1.00 31.23 C ATOM 1054 C ASN A 69 -1.353 -8.523 -7.232 1.00 2.44 C ATOM 1055 O ASN A 69 -0.577 -7.647 -6.847 1.00 61.31 O ATOM 1056 CB ASN A 69 -2.287 -9.525 -5.138 1.00 54.43 C ATOM 1057 CG ASN A 69 -3.453 -10.319 -4.582 1.00 53.20 C ATOM 1058 OD1 ASN A 69 -3.348 -11.525 -4.360 1.00 64.12 O ATOM 1059 ND2 ASN A 69 -4.574 -9.643 -4.354 1.00 62.51 N ATOM 0 H ASN A 69 -3.409 -10.666 -7.107 1.00 51.04 H new ATOM 0 HA ASN A 69 -3.140 -7.890 -6.245 1.00 31.23 H new ATOM 0 HB2 ASN A 69 -1.438 -10.191 -5.292 1.00 54.43 H new ATOM 0 HB3 ASN A 69 -1.978 -8.778 -4.407 1.00 54.43 H new ATOM 0 HD21 ASN A 69 -5.392 -10.124 -3.980 1.00 62.51 H new ATOM 0 HD22 ASN A 69 -4.616 -8.643 -4.553 1.00 62.51 H new ATOM 1066 N PHE A 70 -1.140 -9.248 -8.325 1.00 13.05 N ATOM 1067 CA PHE A 70 0.044 -9.053 -9.153 1.00 31.40 C ATOM 1068 C PHE A 70 -0.341 -8.560 -10.545 1.00 31.32 C ATOM 1069 O PHE A 70 0.194 -7.565 -11.033 1.00 25.14 O ATOM 1070 CB PHE A 70 0.836 -10.358 -9.263 1.00 34.12 C ATOM 1071 CG PHE A 70 1.388 -10.836 -7.951 1.00 24.15 C ATOM 1072 CD1 PHE A 70 0.557 -11.409 -7.001 1.00 65.33 C ATOM 1073 CD2 PHE A 70 2.739 -10.713 -7.666 1.00 52.34 C ATOM 1074 CE1 PHE A 70 1.064 -11.849 -5.793 1.00 34.12 C ATOM 1075 CE2 PHE A 70 3.251 -11.151 -6.460 1.00 33.24 C ATOM 1076 CZ PHE A 70 2.412 -11.721 -5.522 1.00 70.11 C ATOM 0 H PHE A 70 -1.772 -9.976 -8.658 1.00 13.05 H new ATOM 0 HA PHE A 70 0.668 -8.296 -8.678 1.00 31.40 H new ATOM 0 HB2 PHE A 70 0.191 -11.131 -9.680 1.00 34.12 H new ATOM 0 HB3 PHE A 70 1.658 -10.217 -9.964 1.00 34.12 H new ATOM 0 HD1 PHE A 70 -0.498 -11.513 -7.207 1.00 65.33 H new ATOM 0 HD2 PHE A 70 3.400 -10.269 -8.396 1.00 52.34 H new ATOM 0 HE1 PHE A 70 0.406 -12.293 -5.061 1.00 34.12 H new ATOM 0 HE2 PHE A 70 4.306 -11.048 -6.251 1.00 33.24 H new ATOM 0 HZ PHE A 70 2.810 -12.066 -4.579 1.00 70.11 H new ATOM 1086 N SER A 71 -1.273 -9.265 -11.179 1.00 10.32 N ATOM 1087 CA SER A 71 -1.727 -8.902 -12.516 1.00 73.22 C ATOM 1088 C SER A 71 -3.171 -8.410 -12.485 1.00 1.44 C ATOM 1089 O SER A 71 -3.915 -8.695 -11.547 1.00 13.55 O ATOM 1090 CB SER A 71 -1.606 -10.099 -13.461 1.00 64.30 C ATOM 1091 OG SER A 71 -1.366 -9.676 -14.792 1.00 71.21 O ATOM 0 H SER A 71 -1.728 -10.090 -10.788 1.00 10.32 H new ATOM 0 HA SER A 71 -1.093 -8.094 -12.881 1.00 73.22 H new ATOM 0 HB2 SER A 71 -0.794 -10.747 -13.130 1.00 64.30 H new ATOM 0 HB3 SER A 71 -2.521 -10.690 -13.423 1.00 64.30 H new ATOM 0 HG SER A 71 -1.291 -10.460 -15.376 1.00 71.21 H new ATOM 1097 N SER A 72 -3.559 -7.668 -13.517 1.00 73.33 N ATOM 1098 CA SER A 72 -4.912 -7.132 -13.607 1.00 53.13 C ATOM 1099 C SER A 72 -5.641 -7.697 -14.822 1.00 72.54 C ATOM 1100 O SER A 72 -6.667 -7.166 -15.247 1.00 71.44 O ATOM 1101 CB SER A 72 -4.874 -5.605 -13.687 1.00 1.43 C ATOM 1102 OG SER A 72 -6.083 -5.039 -13.210 1.00 45.44 O ATOM 0 H SER A 72 -2.956 -7.424 -14.302 1.00 73.33 H new ATOM 0 HA SER A 72 -5.454 -7.429 -12.709 1.00 53.13 H new ATOM 0 HB2 SER A 72 -4.036 -5.228 -13.101 1.00 1.43 H new ATOM 0 HB3 SER A 72 -4.706 -5.296 -14.719 1.00 1.43 H new ATOM 0 HG SER A 72 -6.843 -5.469 -13.654 1.00 45.44 H new ATOM 1108 N SER A 73 -5.103 -8.779 -15.377 1.00 41.10 N ATOM 1109 CA SER A 73 -5.699 -9.416 -16.546 1.00 3.42 C ATOM 1110 C SER A 73 -6.177 -10.825 -16.212 1.00 21.42 C ATOM 1111 O SER A 73 -7.207 -11.278 -16.711 1.00 45.03 O ATOM 1112 CB SER A 73 -4.690 -9.466 -17.695 1.00 53.21 C ATOM 1113 OG SER A 73 -5.343 -9.659 -18.938 1.00 62.11 O ATOM 0 H SER A 73 -4.256 -9.233 -15.036 1.00 41.10 H new ATOM 0 HA SER A 73 -6.560 -8.823 -16.854 1.00 3.42 H new ATOM 0 HB2 SER A 73 -4.118 -8.539 -17.721 1.00 53.21 H new ATOM 0 HB3 SER A 73 -3.979 -10.275 -17.524 1.00 53.21 H new ATOM 0 HG SER A 73 -4.677 -9.686 -19.657 1.00 62.11 H new ATOM 1119 N ALA A 74 -5.421 -11.514 -15.363 1.00 61.32 N ATOM 1120 CA ALA A 74 -5.767 -12.872 -14.960 1.00 53.51 C ATOM 1121 C ALA A 74 -6.981 -12.877 -14.036 1.00 65.14 C ATOM 1122 O ALA A 74 -6.899 -12.446 -12.886 1.00 42.53 O ATOM 1123 CB ALA A 74 -4.581 -13.539 -14.281 1.00 20.35 C ATOM 0 H ALA A 74 -4.565 -11.154 -14.941 1.00 61.32 H new ATOM 0 HA ALA A 74 -6.023 -13.437 -15.856 1.00 53.51 H new ATOM 0 HB1 ALA A 74 -4.853 -14.552 -13.985 1.00 20.35 H new ATOM 0 HB2 ALA A 74 -3.740 -13.577 -14.973 1.00 20.35 H new ATOM 0 HB3 ALA A 74 -4.299 -12.967 -13.397 1.00 20.35 H new ATOM 1129 N ARG A 75 -8.105 -13.368 -14.547 1.00 51.31 N ATOM 1130 CA ARG A 75 -9.336 -13.427 -13.768 1.00 21.20 C ATOM 1131 C ARG A 75 -9.076 -14.017 -12.385 1.00 22.11 C ATOM 1132 O ARG A 75 -9.033 -13.295 -11.389 1.00 33.35 O ATOM 1133 CB ARG A 75 -10.388 -14.262 -14.500 1.00 54.43 C ATOM 1134 CG ARG A 75 -9.797 -15.331 -15.404 1.00 40.13 C ATOM 1135 CD ARG A 75 -10.673 -16.574 -15.444 1.00 4.51 C ATOM 1136 NE ARG A 75 -10.258 -17.502 -16.492 1.00 62.10 N ATOM 1137 CZ ARG A 75 -10.610 -18.783 -16.521 1.00 3.33 C ATOM 1138 NH1 ARG A 75 -11.379 -19.284 -15.564 1.00 40.22 N ATOM 1139 NH2 ARG A 75 -10.192 -19.565 -17.508 1.00 52.20 N ATOM 0 H ARG A 75 -8.189 -13.731 -15.497 1.00 51.31 H new ATOM 0 HA ARG A 75 -9.709 -12.410 -13.647 1.00 21.20 H new ATOM 0 HB2 ARG A 75 -11.037 -14.738 -13.765 1.00 54.43 H new ATOM 0 HB3 ARG A 75 -11.014 -13.599 -15.097 1.00 54.43 H new ATOM 0 HG2 ARG A 75 -9.682 -14.933 -16.412 1.00 40.13 H new ATOM 0 HG3 ARG A 75 -8.801 -15.598 -15.051 1.00 40.13 H new ATOM 0 HD2 ARG A 75 -10.633 -17.077 -14.478 1.00 4.51 H new ATOM 0 HD3 ARG A 75 -11.710 -16.282 -15.609 1.00 4.51 H new ATOM 0 HE ARG A 75 -9.666 -17.148 -17.243 1.00 62.10 H new ATOM 0 HH11 ARG A 75 -11.702 -18.686 -14.803 1.00 40.22 H new ATOM 0 HH12 ARG A 75 -11.648 -20.268 -15.588 1.00 40.22 H new ATOM 0 HH21 ARG A 75 -9.600 -19.183 -18.245 1.00 52.20 H new ATOM 0 HH22 ARG A 75 -10.463 -20.548 -17.529 1.00 52.20 H new ATOM 1153 N VAL A 76 -8.903 -15.334 -12.332 1.00 21.02 N ATOM 1154 CA VAL A 76 -8.646 -16.021 -11.072 1.00 35.23 C ATOM 1155 C VAL A 76 -7.906 -17.334 -11.302 1.00 41.33 C ATOM 1156 O VAL A 76 -7.900 -17.869 -12.411 1.00 70.54 O ATOM 1157 CB VAL A 76 -9.956 -16.310 -10.313 1.00 44.51 C ATOM 1158 CG1 VAL A 76 -10.449 -15.057 -9.605 1.00 32.35 C ATOM 1159 CG2 VAL A 76 -11.015 -16.847 -11.264 1.00 44.50 C ATOM 0 H VAL A 76 -8.936 -15.946 -13.147 1.00 21.02 H new ATOM 0 HA VAL A 76 -8.024 -15.357 -10.471 1.00 35.23 H new ATOM 0 HB VAL A 76 -9.759 -17.071 -9.558 1.00 44.51 H new ATOM 0 HG11 VAL A 76 -11.375 -15.279 -9.074 1.00 32.35 H new ATOM 0 HG12 VAL A 76 -9.695 -14.720 -8.894 1.00 32.35 H new ATOM 0 HG13 VAL A 76 -10.631 -14.272 -10.339 1.00 32.35 H new ATOM 0 HG21 VAL A 76 -11.933 -17.046 -10.711 1.00 44.50 H new ATOM 0 HG22 VAL A 76 -11.212 -16.110 -12.043 1.00 44.50 H new ATOM 0 HG23 VAL A 76 -10.659 -17.771 -11.721 1.00 44.50 H new ATOM 1169 N LEU A 77 -7.282 -17.848 -10.248 1.00 53.30 N ATOM 1170 CA LEU A 77 -6.538 -19.099 -10.334 1.00 60.35 C ATOM 1171 C LEU A 77 -7.395 -20.201 -10.948 1.00 74.53 C ATOM 1172 O LEU A 77 -8.619 -20.081 -11.027 1.00 25.22 O ATOM 1173 CB LEU A 77 -6.056 -19.526 -8.947 1.00 2.32 C ATOM 1174 CG LEU A 77 -5.183 -18.516 -8.200 1.00 31.40 C ATOM 1175 CD1 LEU A 77 -4.418 -19.200 -7.077 1.00 53.21 C ATOM 1176 CD2 LEU A 77 -4.223 -17.828 -9.160 1.00 34.13 C ATOM 0 H LEU A 77 -7.277 -17.417 -9.323 1.00 53.30 H new ATOM 0 HA LEU A 77 -5.674 -18.935 -10.977 1.00 60.35 H new ATOM 0 HB2 LEU A 77 -6.929 -19.746 -8.333 1.00 2.32 H new ATOM 0 HB3 LEU A 77 -5.496 -20.455 -9.049 1.00 2.32 H new ATOM 0 HG LEU A 77 -5.832 -17.758 -7.761 1.00 31.40 H new ATOM 0 HD11 LEU A 77 -3.802 -18.466 -6.557 1.00 53.21 H new ATOM 0 HD12 LEU A 77 -5.123 -19.645 -6.375 1.00 53.21 H new ATOM 0 HD13 LEU A 77 -3.780 -19.979 -7.494 1.00 53.21 H new ATOM 0 HD21 LEU A 77 -3.610 -17.113 -8.611 1.00 34.13 H new ATOM 0 HD22 LEU A 77 -3.580 -18.573 -9.628 1.00 34.13 H new ATOM 0 HD23 LEU A 77 -4.791 -17.304 -9.929 1.00 34.13 H new ATOM 1188 N THR A 78 -6.746 -21.278 -11.381 1.00 41.21 N ATOM 1189 CA THR A 78 -7.448 -22.402 -11.987 1.00 32.13 C ATOM 1190 C THR A 78 -7.197 -23.690 -11.211 1.00 10.24 C ATOM 1191 O THR A 78 -6.633 -23.667 -10.117 1.00 4.51 O ATOM 1192 CB THR A 78 -7.021 -22.608 -13.452 1.00 42.33 C ATOM 1193 OG1 THR A 78 -7.962 -23.453 -14.123 1.00 31.20 O ATOM 1194 CG2 THR A 78 -5.632 -23.225 -13.530 1.00 15.44 C ATOM 0 H THR A 78 -5.734 -21.395 -11.323 1.00 41.21 H new ATOM 0 HA THR A 78 -8.511 -22.163 -11.956 1.00 32.13 H new ATOM 0 HB THR A 78 -6.996 -21.634 -13.940 1.00 42.33 H new ATOM 0 HG1 THR A 78 -7.684 -23.577 -15.054 1.00 31.20 H new ATOM 0 HG21 THR A 78 -5.352 -23.361 -14.575 1.00 15.44 H new ATOM 0 HG22 THR A 78 -4.913 -22.565 -13.045 1.00 15.44 H new ATOM 0 HG23 THR A 78 -5.634 -24.192 -13.026 1.00 15.44 H new ATOM 1202 N SER A 79 -7.619 -24.812 -11.783 1.00 71.54 N ATOM 1203 CA SER A 79 -7.442 -26.111 -11.143 1.00 53.41 C ATOM 1204 C SER A 79 -5.994 -26.578 -11.253 1.00 51.10 C ATOM 1205 O SER A 79 -5.713 -27.637 -11.813 1.00 20.13 O ATOM 1206 CB SER A 79 -8.374 -27.146 -11.776 1.00 64.22 C ATOM 1207 OG SER A 79 -8.482 -28.300 -10.961 1.00 70.41 O ATOM 0 H SER A 79 -8.086 -24.849 -12.689 1.00 71.54 H new ATOM 0 HA SER A 79 -7.692 -26.006 -10.087 1.00 53.41 H new ATOM 0 HB2 SER A 79 -9.361 -26.708 -11.925 1.00 64.22 H new ATOM 0 HB3 SER A 79 -7.997 -27.426 -12.760 1.00 64.22 H new ATOM 0 HG SER A 79 -7.594 -28.695 -10.834 1.00 70.41 H new ATOM 1213 N ALA A 80 -5.079 -25.779 -10.714 1.00 42.14 N ATOM 1214 CA ALA A 80 -3.660 -26.110 -10.749 1.00 62.34 C ATOM 1215 C ALA A 80 -2.833 -25.061 -10.015 1.00 4.40 C ATOM 1216 O ALA A 80 -1.863 -25.389 -9.332 1.00 41.52 O ATOM 1217 CB ALA A 80 -3.185 -26.247 -12.189 1.00 11.05 C ATOM 0 H ALA A 80 -5.295 -24.898 -10.248 1.00 42.14 H new ATOM 0 HA ALA A 80 -3.522 -27.064 -10.240 1.00 62.34 H new ATOM 0 HB1 ALA A 80 -2.123 -26.494 -12.200 1.00 11.05 H new ATOM 0 HB2 ALA A 80 -3.747 -27.039 -12.684 1.00 11.05 H new ATOM 0 HB3 ALA A 80 -3.344 -25.306 -12.716 1.00 11.05 H new ATOM 1223 N GLU A 81 -3.222 -23.798 -10.161 1.00 73.11 N ATOM 1224 CA GLU A 81 -2.514 -22.701 -9.512 1.00 55.10 C ATOM 1225 C GLU A 81 -2.911 -22.591 -8.043 1.00 32.14 C ATOM 1226 O GLU A 81 -2.056 -22.530 -7.159 1.00 23.42 O ATOM 1227 CB GLU A 81 -2.805 -21.381 -10.230 1.00 72.30 C ATOM 1228 CG GLU A 81 -2.342 -21.361 -11.677 1.00 54.01 C ATOM 1229 CD GLU A 81 -2.229 -19.955 -12.234 1.00 2.04 C ATOM 1230 OE1 GLU A 81 -1.359 -19.196 -11.758 1.00 24.43 O ATOM 1231 OE2 GLU A 81 -3.011 -19.614 -13.146 1.00 3.33 O ATOM 0 H GLU A 81 -4.023 -23.510 -10.723 1.00 73.11 H new ATOM 0 HA GLU A 81 -1.445 -22.909 -9.568 1.00 55.10 H new ATOM 0 HB2 GLU A 81 -3.877 -21.188 -10.198 1.00 72.30 H new ATOM 0 HB3 GLU A 81 -2.319 -20.568 -9.690 1.00 72.30 H new ATOM 0 HG2 GLU A 81 -1.374 -21.856 -11.752 1.00 54.01 H new ATOM 0 HG3 GLU A 81 -3.041 -21.934 -12.286 1.00 54.01 H new ATOM 1238 N THR A 82 -4.216 -22.566 -7.788 1.00 41.42 N ATOM 1239 CA THR A 82 -4.727 -22.461 -6.427 1.00 74.45 C ATOM 1240 C THR A 82 -4.310 -23.664 -5.590 1.00 22.35 C ATOM 1241 O THR A 82 -4.009 -23.533 -4.403 1.00 23.41 O ATOM 1242 CB THR A 82 -6.263 -22.347 -6.412 1.00 35.51 C ATOM 1243 OG1 THR A 82 -6.742 -21.993 -7.714 1.00 43.02 O ATOM 1244 CG2 THR A 82 -6.719 -21.308 -5.399 1.00 22.24 C ATOM 0 H THR A 82 -4.938 -22.617 -8.507 1.00 41.42 H new ATOM 0 HA THR A 82 -4.298 -21.556 -5.996 1.00 74.45 H new ATOM 0 HB THR A 82 -6.673 -23.315 -6.126 1.00 35.51 H new ATOM 0 HG1 THR A 82 -7.719 -21.924 -7.696 1.00 43.02 H new ATOM 0 HG21 THR A 82 -7.807 -21.245 -5.407 1.00 22.24 H new ATOM 0 HG22 THR A 82 -6.379 -21.596 -4.404 1.00 22.24 H new ATOM 0 HG23 THR A 82 -6.298 -20.337 -5.659 1.00 22.24 H new ATOM 1252 N LYS A 83 -4.293 -24.837 -6.214 1.00 20.12 N ATOM 1253 CA LYS A 83 -3.910 -26.065 -5.527 1.00 12.24 C ATOM 1254 C LYS A 83 -2.408 -26.094 -5.261 1.00 74.11 C ATOM 1255 O LYS A 83 -1.971 -26.391 -4.150 1.00 62.30 O ATOM 1256 CB LYS A 83 -4.316 -27.285 -6.356 1.00 32.54 C ATOM 1257 CG LYS A 83 -5.789 -27.305 -6.728 1.00 24.41 C ATOM 1258 CD LYS A 83 -6.322 -28.725 -6.818 1.00 62.42 C ATOM 1259 CE LYS A 83 -7.842 -28.749 -6.847 1.00 34.13 C ATOM 1260 NZ LYS A 83 -8.425 -28.617 -5.482 1.00 63.25 N ATOM 0 H LYS A 83 -4.540 -24.963 -7.195 1.00 20.12 H new ATOM 0 HA LYS A 83 -4.431 -26.094 -4.570 1.00 12.24 H new ATOM 0 HB2 LYS A 83 -3.719 -27.309 -7.268 1.00 32.54 H new ATOM 0 HB3 LYS A 83 -4.079 -28.190 -5.796 1.00 32.54 H new ATOM 0 HG2 LYS A 83 -6.360 -26.747 -5.986 1.00 24.41 H new ATOM 0 HG3 LYS A 83 -5.931 -26.801 -7.684 1.00 24.41 H new ATOM 0 HD2 LYS A 83 -5.932 -29.205 -7.716 1.00 62.42 H new ATOM 0 HD3 LYS A 83 -5.964 -29.304 -5.966 1.00 62.42 H new ATOM 0 HE2 LYS A 83 -8.206 -27.938 -7.477 1.00 34.13 H new ATOM 0 HE3 LYS A 83 -8.182 -29.681 -7.299 1.00 34.13 H new ATOM 0 HZ1 LYS A 83 -9.463 -28.638 -5.544 1.00 63.25 H new ATOM 0 HZ2 LYS A 83 -8.098 -29.405 -4.887 1.00 63.25 H new ATOM 0 HZ3 LYS A 83 -8.121 -27.716 -5.061 1.00 63.25 H new ATOM 1274 N ALA A 84 -1.624 -25.783 -6.288 1.00 54.40 N ATOM 1275 CA ALA A 84 -0.172 -25.770 -6.164 1.00 11.10 C ATOM 1276 C ALA A 84 0.292 -24.634 -5.258 1.00 73.31 C ATOM 1277 O ALA A 84 1.464 -24.560 -4.890 1.00 42.42 O ATOM 1278 CB ALA A 84 0.474 -25.650 -7.536 1.00 72.24 C ATOM 0 H ALA A 84 -1.970 -25.537 -7.215 1.00 54.40 H new ATOM 0 HA ALA A 84 0.137 -26.711 -5.710 1.00 11.10 H new ATOM 0 HB1 ALA A 84 1.559 -25.641 -7.428 1.00 72.24 H new ATOM 0 HB2 ALA A 84 0.177 -26.498 -8.153 1.00 72.24 H new ATOM 0 HB3 ALA A 84 0.149 -24.724 -8.011 1.00 72.24 H new ATOM 1284 N PHE A 85 -0.635 -23.751 -4.902 1.00 75.23 N ATOM 1285 CA PHE A 85 -0.321 -22.618 -4.040 1.00 41.35 C ATOM 1286 C PHE A 85 -0.819 -22.860 -2.619 1.00 35.51 C ATOM 1287 O PHE A 85 -0.091 -22.648 -1.648 1.00 71.45 O ATOM 1288 CB PHE A 85 -0.943 -21.337 -4.599 1.00 53.45 C ATOM 1289 CG PHE A 85 -0.484 -20.091 -3.897 1.00 32.01 C ATOM 1290 CD1 PHE A 85 0.760 -19.545 -4.168 1.00 61.41 C ATOM 1291 CD2 PHE A 85 -1.297 -19.466 -2.965 1.00 21.13 C ATOM 1292 CE1 PHE A 85 1.186 -18.399 -3.524 1.00 14.04 C ATOM 1293 CE2 PHE A 85 -0.877 -18.319 -2.317 1.00 70.45 C ATOM 1294 CZ PHE A 85 0.366 -17.786 -2.596 1.00 41.13 C ATOM 0 H PHE A 85 -1.610 -23.798 -5.197 1.00 75.23 H new ATOM 0 HA PHE A 85 0.763 -22.505 -4.012 1.00 41.35 H new ATOM 0 HB2 PHE A 85 -0.700 -21.257 -5.659 1.00 53.45 H new ATOM 0 HB3 PHE A 85 -2.028 -21.407 -4.525 1.00 53.45 H new ATOM 0 HD1 PHE A 85 1.405 -20.021 -4.892 1.00 61.41 H new ATOM 0 HD2 PHE A 85 -2.270 -19.879 -2.742 1.00 21.13 H new ATOM 0 HE1 PHE A 85 2.158 -17.983 -3.746 1.00 14.04 H new ATOM 0 HE2 PHE A 85 -1.520 -17.840 -1.593 1.00 70.45 H new ATOM 0 HZ PHE A 85 0.697 -16.891 -2.090 1.00 41.13 H new ATOM 1304 N LEU A 86 -2.066 -23.306 -2.504 1.00 3.24 N ATOM 1305 CA LEU A 86 -2.664 -23.578 -1.201 1.00 43.50 C ATOM 1306 C LEU A 86 -1.973 -24.754 -0.520 1.00 22.35 C ATOM 1307 O LEU A 86 -1.499 -24.639 0.610 1.00 2.02 O ATOM 1308 CB LEU A 86 -4.158 -23.868 -1.354 1.00 43.43 C ATOM 1309 CG LEU A 86 -5.034 -23.530 -0.148 1.00 13.32 C ATOM 1310 CD1 LEU A 86 -6.473 -23.295 -0.582 1.00 44.42 C ATOM 1311 CD2 LEU A 86 -4.964 -24.640 0.890 1.00 5.05 C ATOM 0 H LEU A 86 -2.682 -23.487 -3.297 1.00 3.24 H new ATOM 0 HA LEU A 86 -2.534 -22.694 -0.577 1.00 43.50 H new ATOM 0 HB2 LEU A 86 -4.529 -23.312 -2.215 1.00 43.43 H new ATOM 0 HB3 LEU A 86 -4.281 -24.927 -1.582 1.00 43.43 H new ATOM 0 HG LEU A 86 -4.657 -22.612 0.304 1.00 13.32 H new ATOM 0 HD11 LEU A 86 -7.082 -23.056 0.290 1.00 44.42 H new ATOM 0 HD12 LEU A 86 -6.509 -22.466 -1.288 1.00 44.42 H new ATOM 0 HD13 LEU A 86 -6.861 -24.195 -1.059 1.00 44.42 H new ATOM 0 HD21 LEU A 86 -5.594 -24.382 1.741 1.00 5.05 H new ATOM 0 HD22 LEU A 86 -5.314 -25.573 0.449 1.00 5.05 H new ATOM 0 HD23 LEU A 86 -3.934 -24.761 1.224 1.00 5.05 H new ATOM 1323 N ALA A 87 -1.918 -25.885 -1.215 1.00 61.33 N ATOM 1324 CA ALA A 87 -1.281 -27.082 -0.679 1.00 52.11 C ATOM 1325 C ALA A 87 0.215 -26.864 -0.477 1.00 74.23 C ATOM 1326 O ALA A 87 0.872 -27.625 0.233 1.00 52.23 O ATOM 1327 CB ALA A 87 -1.524 -28.267 -1.601 1.00 73.43 C ATOM 0 H ALA A 87 -2.307 -25.998 -2.151 1.00 61.33 H new ATOM 0 HA ALA A 87 -1.725 -27.296 0.293 1.00 52.11 H new ATOM 0 HB1 ALA A 87 -1.043 -29.154 -1.188 1.00 73.43 H new ATOM 0 HB2 ALA A 87 -2.596 -28.444 -1.691 1.00 73.43 H new ATOM 0 HB3 ALA A 87 -1.108 -28.053 -2.586 1.00 73.43 H new ATOM 1333 N ALA A 88 0.746 -25.822 -1.107 1.00 4.41 N ATOM 1334 CA ALA A 88 2.164 -25.504 -0.995 1.00 5.40 C ATOM 1335 C ALA A 88 2.410 -24.468 0.097 1.00 43.11 C ATOM 1336 O ALA A 88 3.485 -24.425 0.695 1.00 54.02 O ATOM 1337 CB ALA A 88 2.700 -25.005 -2.329 1.00 3.33 C ATOM 0 H ALA A 88 0.216 -25.184 -1.700 1.00 4.41 H new ATOM 0 HA ALA A 88 2.695 -26.416 -0.721 1.00 5.40 H new ATOM 0 HB1 ALA A 88 3.760 -24.771 -2.231 1.00 3.33 H new ATOM 0 HB2 ALA A 88 2.567 -25.778 -3.086 1.00 3.33 H new ATOM 0 HB3 ALA A 88 2.157 -24.108 -2.627 1.00 3.33 H new ATOM 1343 N GLY A 89 1.407 -23.633 0.352 1.00 70.35 N ATOM 1344 CA GLY A 89 1.535 -22.608 1.371 1.00 62.32 C ATOM 1345 C GLY A 89 0.960 -23.042 2.705 1.00 50.24 C ATOM 1346 O GLY A 89 1.677 -23.119 3.702 1.00 4.21 O ATOM 0 H GLY A 89 0.508 -23.648 -0.129 1.00 70.35 H new ATOM 0 HA2 GLY A 89 2.588 -22.355 1.498 1.00 62.32 H new ATOM 0 HA3 GLY A 89 1.028 -21.703 1.037 1.00 62.32 H new ATOM 1350 N ASP A 90 -0.338 -23.324 2.724 1.00 60.05 N ATOM 1351 CA ASP A 90 -1.010 -23.751 3.945 1.00 22.53 C ATOM 1352 C ASP A 90 -0.263 -24.910 4.599 1.00 75.43 C ATOM 1353 O ASP A 90 -0.362 -26.055 4.156 1.00 65.41 O ATOM 1354 CB ASP A 90 -2.451 -24.163 3.643 1.00 55.23 C ATOM 1355 CG ASP A 90 -3.025 -25.085 4.701 1.00 2.51 C ATOM 1356 OD1 ASP A 90 -3.462 -24.577 5.755 1.00 75.42 O ATOM 1357 OD2 ASP A 90 -3.035 -26.313 4.476 1.00 20.11 O ATOM 0 H ASP A 90 -0.946 -23.264 1.907 1.00 60.05 H new ATOM 0 HA ASP A 90 -1.019 -22.910 4.638 1.00 22.53 H new ATOM 0 HB2 ASP A 90 -3.072 -23.271 3.567 1.00 55.23 H new ATOM 0 HB3 ASP A 90 -2.488 -24.660 2.674 1.00 55.23 H new ATOM 1362 N THR A 91 0.484 -24.606 5.655 1.00 2.10 N ATOM 1363 CA THR A 91 1.249 -25.621 6.368 1.00 1.13 C ATOM 1364 C THR A 91 0.724 -25.809 7.787 1.00 73.42 C ATOM 1365 O THR A 91 0.647 -26.932 8.286 1.00 14.03 O ATOM 1366 CB THR A 91 2.744 -25.257 6.431 1.00 44.41 C ATOM 1367 OG1 THR A 91 2.901 -23.903 6.872 1.00 71.31 O ATOM 1368 CG2 THR A 91 3.401 -25.431 5.070 1.00 24.10 C ATOM 0 H THR A 91 0.576 -23.664 6.036 1.00 2.10 H new ATOM 0 HA THR A 91 1.132 -26.552 5.813 1.00 1.13 H new ATOM 0 HB THR A 91 3.229 -25.928 7.140 1.00 44.41 H new ATOM 0 HG1 THR A 91 3.855 -23.680 6.911 1.00 71.31 H new ATOM 0 HG21 THR A 91 4.457 -25.168 5.139 1.00 24.10 H new ATOM 0 HG22 THR A 91 3.306 -26.469 4.750 1.00 24.10 H new ATOM 0 HG23 THR A 91 2.912 -24.781 4.344 1.00 24.10 H new ATOM 1407 N GLY A 95 -6.473 -25.421 4.974 1.00 34.05 N ATOM 1408 CA GLY A 95 -7.080 -24.753 3.838 1.00 14.01 C ATOM 1409 C GLY A 95 -6.901 -23.249 3.886 1.00 3.40 C ATOM 1410 O GLY A 95 -7.128 -22.556 2.894 1.00 71.34 O ATOM 0 HA2 GLY A 95 -6.642 -25.139 2.917 1.00 14.01 H new ATOM 0 HA3 GLY A 95 -8.144 -24.988 3.808 1.00 14.01 H new ATOM 1414 N LYS A 96 -6.493 -22.740 5.044 1.00 43.34 N ATOM 1415 CA LYS A 96 -6.283 -21.308 5.219 1.00 43.52 C ATOM 1416 C LYS A 96 -4.795 -20.983 5.308 1.00 40.33 C ATOM 1417 O LYS A 96 -4.006 -21.779 5.818 1.00 41.34 O ATOM 1418 CB LYS A 96 -6.999 -20.816 6.479 1.00 60.52 C ATOM 1419 CG LYS A 96 -6.859 -21.757 7.664 1.00 42.54 C ATOM 1420 CD LYS A 96 -7.033 -21.022 8.982 1.00 11.31 C ATOM 1421 CE LYS A 96 -6.311 -21.733 10.116 1.00 2.22 C ATOM 1422 NZ LYS A 96 -6.964 -21.486 11.431 1.00 13.43 N ATOM 0 H LYS A 96 -6.301 -23.299 5.876 1.00 43.34 H new ATOM 0 HA LYS A 96 -6.698 -20.797 4.350 1.00 43.52 H new ATOM 0 HB2 LYS A 96 -6.603 -19.838 6.753 1.00 60.52 H new ATOM 0 HB3 LYS A 96 -8.057 -20.681 6.256 1.00 60.52 H new ATOM 0 HG2 LYS A 96 -7.601 -22.552 7.589 1.00 42.54 H new ATOM 0 HG3 LYS A 96 -5.879 -22.233 7.638 1.00 42.54 H new ATOM 0 HD2 LYS A 96 -6.651 -20.006 8.886 1.00 11.31 H new ATOM 0 HD3 LYS A 96 -8.094 -20.942 9.218 1.00 11.31 H new ATOM 0 HE2 LYS A 96 -6.289 -22.804 9.917 1.00 2.22 H new ATOM 0 HE3 LYS A 96 -5.276 -21.395 10.156 1.00 2.22 H new ATOM 0 HZ1 LYS A 96 -6.442 -21.988 12.178 1.00 13.43 H new ATOM 0 HZ2 LYS A 96 -6.962 -20.466 11.633 1.00 13.43 H new ATOM 0 HZ3 LYS A 96 -7.944 -21.832 11.402 1.00 13.43 H new ATOM 1436 N ILE A 97 -4.420 -19.809 4.810 1.00 25.22 N ATOM 1437 CA ILE A 97 -3.027 -19.379 4.836 1.00 31.24 C ATOM 1438 C ILE A 97 -2.887 -18.009 5.490 1.00 11.24 C ATOM 1439 O ILE A 97 -3.756 -17.150 5.348 1.00 12.21 O ATOM 1440 CB ILE A 97 -2.429 -19.322 3.418 1.00 24.55 C ATOM 1441 CG1 ILE A 97 -2.418 -20.717 2.790 1.00 71.25 C ATOM 1442 CG2 ILE A 97 -1.022 -18.744 3.460 1.00 52.40 C ATOM 1443 CD1 ILE A 97 -1.847 -20.744 1.389 1.00 22.32 C ATOM 0 H ILE A 97 -5.061 -19.139 4.384 1.00 25.22 H new ATOM 0 HA ILE A 97 -2.480 -20.117 5.423 1.00 31.24 H new ATOM 0 HB ILE A 97 -3.051 -18.671 2.803 1.00 24.55 H new ATOM 0 HG12 ILE A 97 -1.837 -21.387 3.423 1.00 71.25 H new ATOM 0 HG13 ILE A 97 -3.437 -21.104 2.766 1.00 71.25 H new ATOM 0 HG21 ILE A 97 -0.612 -18.710 2.450 1.00 52.40 H new ATOM 0 HG22 ILE A 97 -1.055 -17.736 3.872 1.00 52.40 H new ATOM 0 HG23 ILE A 97 -0.389 -19.372 4.087 1.00 52.40 H new ATOM 0 HD11 ILE A 97 -1.870 -21.764 1.006 1.00 22.32 H new ATOM 0 HD12 ILE A 97 -2.442 -20.100 0.741 1.00 22.32 H new ATOM 0 HD13 ILE A 97 -0.817 -20.387 1.409 1.00 22.32 H new ATOM 1455 N GLY A 98 -1.785 -17.811 6.207 1.00 1.32 N ATOM 1456 CA GLY A 98 -1.550 -16.542 6.871 1.00 2.12 C ATOM 1457 C GLY A 98 -0.251 -15.892 6.437 1.00 71.02 C ATOM 1458 O GLY A 98 -0.082 -15.546 5.267 1.00 31.34 O ATOM 0 H GLY A 98 -1.051 -18.507 6.340 1.00 1.32 H new ATOM 0 HA2 GLY A 98 -2.379 -15.866 6.660 1.00 2.12 H new ATOM 0 HA3 GLY A 98 -1.532 -16.698 7.950 1.00 2.12 H new ATOM 1462 N VAL A 99 0.669 -15.723 7.381 1.00 63.40 N ATOM 1463 CA VAL A 99 1.960 -15.110 7.090 1.00 55.10 C ATOM 1464 C VAL A 99 3.091 -16.123 7.218 1.00 63.44 C ATOM 1465 O VAL A 99 3.861 -16.330 6.280 1.00 11.30 O ATOM 1466 CB VAL A 99 2.241 -13.922 8.029 1.00 13.11 C ATOM 1467 CG1 VAL A 99 2.162 -12.608 7.267 1.00 63.14 C ATOM 1468 CG2 VAL A 99 1.269 -13.927 9.200 1.00 62.23 C ATOM 0 H VAL A 99 0.545 -16.002 8.354 1.00 63.40 H new ATOM 0 HA VAL A 99 1.915 -14.749 6.063 1.00 55.10 H new ATOM 0 HB VAL A 99 3.252 -14.025 8.424 1.00 13.11 H new ATOM 0 HG11 VAL A 99 2.363 -11.780 7.947 1.00 63.14 H new ATOM 0 HG12 VAL A 99 2.901 -12.607 6.466 1.00 63.14 H new ATOM 0 HG13 VAL A 99 1.165 -12.494 6.841 1.00 63.14 H new ATOM 0 HG21 VAL A 99 1.482 -13.081 9.853 1.00 62.23 H new ATOM 0 HG22 VAL A 99 0.248 -13.849 8.826 1.00 62.23 H new ATOM 0 HG23 VAL A 99 1.380 -14.855 9.761 1.00 62.23 H new ATOM 1478 N GLU A 100 3.185 -16.753 8.384 1.00 23.54 N ATOM 1479 CA GLU A 100 4.224 -17.746 8.634 1.00 1.13 C ATOM 1480 C GLU A 100 4.194 -18.844 7.575 1.00 41.54 C ATOM 1481 O GLU A 100 5.221 -19.445 7.260 1.00 12.54 O ATOM 1482 CB GLU A 100 4.050 -18.360 10.025 1.00 1.31 C ATOM 1483 CG GLU A 100 5.136 -17.956 11.009 1.00 73.34 C ATOM 1484 CD GLU A 100 5.361 -18.997 12.088 1.00 63.32 C ATOM 1485 OE1 GLU A 100 6.042 -20.005 11.806 1.00 64.54 O ATOM 1486 OE2 GLU A 100 4.857 -18.804 13.214 1.00 61.43 O ATOM 0 H GLU A 100 2.555 -16.594 9.170 1.00 23.54 H new ATOM 0 HA GLU A 100 5.190 -17.243 8.584 1.00 1.13 H new ATOM 0 HB2 GLU A 100 3.080 -18.064 10.425 1.00 1.31 H new ATOM 0 HB3 GLU A 100 4.039 -19.446 9.935 1.00 1.31 H new ATOM 0 HG2 GLU A 100 6.068 -17.791 10.468 1.00 73.34 H new ATOM 0 HG3 GLU A 100 4.865 -17.008 11.474 1.00 73.34 H new ATOM 1493 N GLU A 101 3.009 -19.099 7.029 1.00 42.34 N ATOM 1494 CA GLU A 101 2.845 -20.125 6.005 1.00 3.35 C ATOM 1495 C GLU A 101 3.091 -19.549 4.614 1.00 74.24 C ATOM 1496 O GLU A 101 3.357 -20.285 3.663 1.00 23.34 O ATOM 1497 CB GLU A 101 1.442 -20.730 6.079 1.00 71.11 C ATOM 1498 CG GLU A 101 1.056 -21.206 7.469 1.00 3.15 C ATOM 1499 CD GLU A 101 -0.425 -21.506 7.594 1.00 41.44 C ATOM 1500 OE1 GLU A 101 -0.859 -22.567 7.101 1.00 73.43 O ATOM 1501 OE2 GLU A 101 -1.150 -20.678 8.184 1.00 4.44 O ATOM 0 H GLU A 101 2.149 -18.610 7.278 1.00 42.34 H new ATOM 0 HA GLU A 101 3.580 -20.908 6.190 1.00 3.35 H new ATOM 0 HB2 GLU A 101 0.717 -19.988 5.744 1.00 71.11 H new ATOM 0 HB3 GLU A 101 1.381 -21.570 5.387 1.00 71.11 H new ATOM 0 HG2 GLU A 101 1.626 -22.102 7.713 1.00 3.15 H new ATOM 0 HG3 GLU A 101 1.331 -20.445 8.199 1.00 3.15 H new ATOM 1508 N PHE A 102 2.998 -18.228 4.501 1.00 31.32 N ATOM 1509 CA PHE A 102 3.208 -17.553 3.226 1.00 70.01 C ATOM 1510 C PHE A 102 4.693 -17.488 2.883 1.00 64.31 C ATOM 1511 O PHE A 102 5.135 -18.057 1.885 1.00 22.21 O ATOM 1512 CB PHE A 102 2.621 -16.141 3.270 1.00 42.41 C ATOM 1513 CG PHE A 102 2.660 -15.434 1.945 1.00 34.00 C ATOM 1514 CD1 PHE A 102 1.687 -15.675 0.988 1.00 12.42 C ATOM 1515 CD2 PHE A 102 3.669 -14.530 1.656 1.00 12.43 C ATOM 1516 CE1 PHE A 102 1.719 -15.026 -0.232 1.00 10.21 C ATOM 1517 CE2 PHE A 102 3.706 -13.878 0.438 1.00 11.43 C ATOM 1518 CZ PHE A 102 2.731 -14.127 -0.507 1.00 54.24 C ATOM 0 H PHE A 102 2.779 -17.604 5.277 1.00 31.32 H new ATOM 0 HA PHE A 102 2.699 -18.127 2.451 1.00 70.01 H new ATOM 0 HB2 PHE A 102 1.588 -16.196 3.613 1.00 42.41 H new ATOM 0 HB3 PHE A 102 3.170 -15.551 4.004 1.00 42.41 H new ATOM 0 HD1 PHE A 102 0.895 -16.378 1.198 1.00 12.42 H new ATOM 0 HD2 PHE A 102 4.435 -14.332 2.391 1.00 12.43 H new ATOM 0 HE1 PHE A 102 0.954 -15.221 -0.969 1.00 10.21 H new ATOM 0 HE2 PHE A 102 4.497 -13.174 0.226 1.00 11.43 H new ATOM 0 HZ PHE A 102 2.759 -13.620 -1.460 1.00 54.24 H new ATOM 1528 N GLN A 103 5.457 -16.791 3.717 1.00 4.33 N ATOM 1529 CA GLN A 103 6.893 -16.650 3.502 1.00 73.42 C ATOM 1530 C GLN A 103 7.556 -18.015 3.346 1.00 53.03 C ATOM 1531 O GLN A 103 8.468 -18.184 2.537 1.00 51.14 O ATOM 1532 CB GLN A 103 7.532 -15.889 4.664 1.00 23.44 C ATOM 1533 CG GLN A 103 7.212 -16.480 6.028 1.00 75.01 C ATOM 1534 CD GLN A 103 7.939 -15.774 7.155 1.00 32.23 C ATOM 1535 OE1 GLN A 103 8.246 -14.585 7.063 1.00 21.41 O ATOM 1536 NE2 GLN A 103 8.218 -16.504 8.229 1.00 63.54 N ATOM 0 H GLN A 103 5.106 -16.315 4.548 1.00 4.33 H new ATOM 0 HA GLN A 103 7.044 -16.086 2.582 1.00 73.42 H new ATOM 0 HB2 GLN A 103 8.613 -15.876 4.528 1.00 23.44 H new ATOM 0 HB3 GLN A 103 7.195 -14.853 4.638 1.00 23.44 H new ATOM 0 HG2 GLN A 103 6.137 -16.422 6.202 1.00 75.01 H new ATOM 0 HG3 GLN A 103 7.480 -17.537 6.034 1.00 75.01 H new ATOM 0 HE21 GLN A 103 7.945 -17.486 8.263 1.00 63.54 H new ATOM 0 HE22 GLN A 103 8.705 -16.082 9.020 1.00 63.54 H new ATOM 1545 N SER A 104 7.091 -18.986 4.126 1.00 43.22 N ATOM 1546 CA SER A 104 7.642 -20.335 4.077 1.00 22.01 C ATOM 1547 C SER A 104 7.527 -20.918 2.672 1.00 23.41 C ATOM 1548 O SER A 104 8.236 -21.862 2.319 1.00 42.32 O ATOM 1549 CB SER A 104 6.921 -21.240 5.078 1.00 54.22 C ATOM 1550 OG SER A 104 7.571 -22.493 5.193 1.00 23.34 O ATOM 0 H SER A 104 6.334 -18.863 4.799 1.00 43.22 H new ATOM 0 HA SER A 104 8.698 -20.280 4.343 1.00 22.01 H new ATOM 0 HB2 SER A 104 6.886 -20.754 6.053 1.00 54.22 H new ATOM 0 HB3 SER A 104 5.889 -21.390 4.760 1.00 54.22 H new ATOM 0 HG SER A 104 7.092 -23.052 5.840 1.00 23.34 H new ATOM 1556 N LEU A 105 6.629 -20.351 1.874 1.00 5.44 N ATOM 1557 CA LEU A 105 6.420 -20.813 0.507 1.00 61.12 C ATOM 1558 C LEU A 105 7.181 -19.940 -0.486 1.00 1.02 C ATOM 1559 O LEU A 105 7.740 -20.436 -1.464 1.00 22.21 O ATOM 1560 CB LEU A 105 4.928 -20.808 0.169 1.00 63.15 C ATOM 1561 CG LEU A 105 4.576 -20.925 -1.315 1.00 10.12 C ATOM 1562 CD1 LEU A 105 3.266 -21.677 -1.495 1.00 4.22 C ATOM 1563 CD2 LEU A 105 4.494 -19.546 -1.954 1.00 33.24 C ATOM 0 H LEU A 105 6.034 -19.570 2.151 1.00 5.44 H new ATOM 0 HA LEU A 105 6.800 -21.832 0.432 1.00 61.12 H new ATOM 0 HB2 LEU A 105 4.453 -21.632 0.701 1.00 63.15 H new ATOM 0 HB3 LEU A 105 4.492 -19.886 0.554 1.00 63.15 H new ATOM 0 HG LEU A 105 5.366 -21.488 -1.813 1.00 10.12 H new ATOM 0 HD11 LEU A 105 3.032 -21.751 -2.557 1.00 4.22 H new ATOM 0 HD12 LEU A 105 3.360 -22.678 -1.074 1.00 4.22 H new ATOM 0 HD13 LEU A 105 2.466 -21.142 -0.983 1.00 4.22 H new ATOM 0 HD21 LEU A 105 4.243 -19.649 -3.010 1.00 33.24 H new ATOM 0 HD22 LEU A 105 3.725 -18.958 -1.453 1.00 33.24 H new ATOM 0 HD23 LEU A 105 5.456 -19.042 -1.857 1.00 33.24 H new ATOM 1575 N VAL A 106 7.200 -18.636 -0.226 1.00 61.42 N ATOM 1576 CA VAL A 106 7.895 -17.694 -1.095 1.00 5.04 C ATOM 1577 C VAL A 106 9.396 -17.961 -1.105 1.00 44.11 C ATOM 1578 O VAL A 106 10.037 -17.931 -2.156 1.00 54.54 O ATOM 1579 CB VAL A 106 7.647 -16.238 -0.656 1.00 61.52 C ATOM 1580 CG1 VAL A 106 8.188 -15.268 -1.695 1.00 73.03 C ATOM 1581 CG2 VAL A 106 6.164 -16.001 -0.414 1.00 21.22 C ATOM 0 H VAL A 106 6.742 -18.209 0.579 1.00 61.42 H new ATOM 0 HA VAL A 106 7.497 -17.836 -2.100 1.00 5.04 H new ATOM 0 HB VAL A 106 8.177 -16.063 0.280 1.00 61.52 H new ATOM 0 HG11 VAL A 106 8.004 -14.245 -1.368 1.00 73.03 H new ATOM 0 HG12 VAL A 106 9.260 -15.423 -1.814 1.00 73.03 H new ATOM 0 HG13 VAL A 106 7.688 -15.440 -2.648 1.00 73.03 H new ATOM 0 HG21 VAL A 106 6.006 -14.968 -0.105 1.00 21.22 H new ATOM 0 HG22 VAL A 106 5.610 -16.193 -1.333 1.00 21.22 H new ATOM 0 HG23 VAL A 106 5.811 -16.672 0.369 1.00 21.22 H new ATOM 1591 N LYS A 107 9.953 -18.223 0.072 1.00 23.24 N ATOM 1592 CA LYS A 107 11.380 -18.498 0.201 1.00 55.15 C ATOM 1593 C LYS A 107 11.758 -19.771 -0.549 1.00 71.22 C ATOM 1594 O LYS A 107 12.934 -20.026 -0.805 1.00 5.24 O ATOM 1595 CB LYS A 107 11.764 -18.629 1.676 1.00 41.20 C ATOM 1596 CG LYS A 107 11.601 -17.340 2.464 1.00 70.43 C ATOM 1597 CD LYS A 107 12.566 -17.277 3.635 1.00 24.03 C ATOM 1598 CE LYS A 107 13.962 -16.870 3.187 1.00 54.05 C ATOM 1599 NZ LYS A 107 14.013 -15.444 2.761 1.00 4.23 N ATOM 0 H LYS A 107 9.438 -18.251 0.952 1.00 23.24 H new ATOM 0 HA LYS A 107 11.927 -17.663 -0.237 1.00 55.15 H new ATOM 0 HB2 LYS A 107 11.152 -19.405 2.135 1.00 41.20 H new ATOM 0 HB3 LYS A 107 12.801 -18.959 1.745 1.00 41.20 H new ATOM 0 HG2 LYS A 107 11.769 -16.487 1.807 1.00 70.43 H new ATOM 0 HG3 LYS A 107 10.577 -17.263 2.830 1.00 70.43 H new ATOM 0 HD2 LYS A 107 12.198 -16.565 4.373 1.00 24.03 H new ATOM 0 HD3 LYS A 107 12.609 -18.250 4.125 1.00 24.03 H new ATOM 0 HE2 LYS A 107 14.667 -17.031 4.003 1.00 54.05 H new ATOM 0 HE3 LYS A 107 14.279 -17.507 2.362 1.00 54.05 H new ATOM 0 HZ1 LYS A 107 15.001 -15.118 2.757 1.00 4.23 H new ATOM 0 HZ2 LYS A 107 13.614 -15.353 1.805 1.00 4.23 H new ATOM 0 HZ3 LYS A 107 13.460 -14.864 3.424 1.00 4.23 H new ATOM 1613 N ALA A 108 10.753 -20.567 -0.900 1.00 52.33 N ATOM 1614 CA ALA A 108 10.980 -21.811 -1.624 1.00 25.31 C ATOM 1615 C ALA A 108 10.978 -21.579 -3.131 1.00 2.51 C ATOM 1616 O ALA A 108 11.533 -22.372 -3.892 1.00 70.20 O ATOM 1617 CB ALA A 108 9.927 -22.842 -1.246 1.00 21.05 C ATOM 0 H ALA A 108 9.773 -20.372 -0.694 1.00 52.33 H new ATOM 0 HA ALA A 108 11.962 -22.191 -1.343 1.00 25.31 H new ATOM 0 HB1 ALA A 108 10.109 -23.766 -1.795 1.00 21.05 H new ATOM 0 HB2 ALA A 108 9.979 -23.039 -0.175 1.00 21.05 H new ATOM 0 HB3 ALA A 108 8.937 -22.460 -1.497 1.00 21.05 H new