USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 96 ASN : amide:sc= 1.22 K(o=3.8,f=-1.1!) USER MOD Set 1.2: A 98 ASN : amide:sc= 1.83 K(o=3.8,f=-4!) USER MOD Set 1.3: A 100 SER OG : rot -163:sc= 0.733 USER MOD Set 2.1: A 38 GLN : amide:sc= 0.951 K(o=0.83,f=-0.18) USER MOD Set 2.2: A 77 MET CE :methyl -146:sc= -0.125 (180deg=-1.99!) USER MOD Set 3.1: A 57 GLN : amide:sc= 1.1 K(o=1.4,f=-0.54) USER MOD Set 3.2: A 59 TYR OH : rot -145:sc= 0.25 USER MOD Set 4.1: A 3 SER OG : rot 128:sc= 0.618 USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 0.522 USER MOD Single : A 1 GLY N :NH3+ 158:sc= 0.434 (180deg=0.233) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 14 GLN : amide:sc= 0.845 K(o=0.84,f=-0.46) USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.02 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.11) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.94 K(o=0.94,f=-0.096) USER MOD Single : A 45 THR OG1 : rot 179:sc= 0.0199 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 47 MET CE :methyl 168:sc= -0.0648 (180deg=-0.249) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.16) USER MOD Single : A 53 THR OG1 : rot -57:sc= 0.664 USER MOD Single : A 55 GLN : amide:sc=-0.00853 K(o=-0.0085,f=-0.55) USER MOD Single : A 56 HIS : no HD1:sc= 1.41 K(o=1.4,f=-7.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -179:sc= 0 (180deg=-0.00041) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.19) USER MOD Single : A 90 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.828) USER MOD Single : A 93 SER OG : rot 170:sc= 1.19 USER MOD Single : A 95 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.053) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc=0.000879 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.339 13.444 1.294 1.00 0.00 N ATOM 2 CA GLY A 1 -4.563 14.540 0.677 1.00 0.00 C ATOM 3 C GLY A 1 -3.162 14.639 1.262 1.00 0.00 C ATOM 4 O GLY A 1 -2.866 14.029 2.291 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.355 13.624 1.167 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.088 12.543 0.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.120 13.393 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.497 14.378 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.087 15.484 0.825 1.00 0.00 H new ATOM 10 N SER A 2 -2.292 15.423 0.623 1.00 0.00 N ATOM 11 CA SER A 2 -0.916 15.688 1.082 1.00 0.00 C ATOM 12 C SER A 2 -0.860 16.613 2.311 1.00 0.00 C ATOM 13 O SER A 2 -1.776 17.401 2.563 1.00 0.00 O ATOM 14 CB SER A 2 -0.087 16.294 -0.059 1.00 0.00 C ATOM 15 OG SER A 2 -0.097 15.436 -1.189 1.00 0.00 O ATOM 0 H SER A 2 -2.523 15.904 -0.246 1.00 0.00 H new ATOM 0 HA SER A 2 -0.496 14.728 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.490 17.269 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.938 16.455 0.274 1.00 0.00 H new ATOM 0 HG SER A 2 0.434 15.837 -1.909 1.00 0.00 H new ATOM 21 N SER A 3 0.243 16.549 3.063 1.00 0.00 N ATOM 22 CA SER A 3 0.495 17.345 4.279 1.00 0.00 C ATOM 23 C SER A 3 0.956 18.787 4.018 1.00 0.00 C ATOM 24 O SER A 3 0.837 19.643 4.899 1.00 0.00 O ATOM 25 CB SER A 3 1.585 16.652 5.103 1.00 0.00 C ATOM 26 OG SER A 3 2.726 16.434 4.285 1.00 0.00 O ATOM 0 H SER A 3 1.015 15.921 2.838 1.00 0.00 H new ATOM 0 HA SER A 3 -0.461 17.406 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.852 17.266 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.215 15.703 5.491 1.00 0.00 H new ATOM 0 HG SER A 3 3.520 16.799 4.728 1.00 0.00 H new ATOM 32 N GLY A 4 1.509 19.062 2.831 1.00 0.00 N ATOM 33 CA GLY A 4 2.193 20.323 2.512 1.00 0.00 C ATOM 34 C GLY A 4 3.648 20.400 3.010 1.00 0.00 C ATOM 35 O GLY A 4 4.237 21.485 2.996 1.00 0.00 O ATOM 0 H GLY A 4 1.494 18.404 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.184 20.464 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.629 21.148 2.946 1.00 0.00 H new ATOM 39 N SER A 5 4.239 19.279 3.448 1.00 0.00 N ATOM 40 CA SER A 5 5.655 19.185 3.853 1.00 0.00 C ATOM 41 C SER A 5 6.627 19.516 2.706 1.00 0.00 C ATOM 42 O SER A 5 6.299 19.365 1.525 1.00 0.00 O ATOM 43 CB SER A 5 5.975 17.787 4.400 1.00 0.00 C ATOM 44 OG SER A 5 5.184 17.502 5.545 1.00 0.00 O ATOM 0 H SER A 5 3.739 18.394 3.533 1.00 0.00 H new ATOM 0 HA SER A 5 5.796 19.931 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.791 17.039 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.032 17.725 4.658 1.00 0.00 H new ATOM 0 HG SER A 5 5.401 16.606 5.878 1.00 0.00 H new ATOM 50 N SER A 6 7.845 19.947 3.049 1.00 0.00 N ATOM 51 CA SER A 6 8.866 20.415 2.091 1.00 0.00 C ATOM 52 C SER A 6 9.447 19.320 1.179 1.00 0.00 C ATOM 53 O SER A 6 9.923 19.626 0.082 1.00 0.00 O ATOM 54 CB SER A 6 9.999 21.114 2.855 1.00 0.00 C ATOM 55 OG SER A 6 10.552 20.250 3.839 1.00 0.00 O ATOM 0 H SER A 6 8.160 19.983 4.018 1.00 0.00 H new ATOM 0 HA SER A 6 8.354 21.107 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.777 21.423 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.619 22.018 3.331 1.00 0.00 H new ATOM 0 HG SER A 6 11.273 20.714 4.313 1.00 0.00 H new ATOM 61 N GLY A 7 9.384 18.050 1.590 1.00 0.00 N ATOM 62 CA GLY A 7 9.790 16.890 0.787 1.00 0.00 C ATOM 63 C GLY A 7 9.768 15.560 1.561 1.00 0.00 C ATOM 64 O GLY A 7 9.450 15.552 2.756 1.00 0.00 O ATOM 0 H GLY A 7 9.040 17.792 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.129 16.808 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.796 17.060 0.403 1.00 0.00 H new ATOM 68 N PRO A 8 10.103 14.430 0.904 1.00 0.00 N ATOM 69 CA PRO A 8 10.167 13.106 1.531 1.00 0.00 C ATOM 70 C PRO A 8 11.203 13.008 2.665 1.00 0.00 C ATOM 71 O PRO A 8 12.251 13.661 2.628 1.00 0.00 O ATOM 72 CB PRO A 8 10.497 12.124 0.398 1.00 0.00 C ATOM 73 CG PRO A 8 10.003 12.843 -0.855 1.00 0.00 C ATOM 74 CD PRO A 8 10.310 14.304 -0.533 1.00 0.00 C ATOM 0 HA PRO A 8 9.216 12.881 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.566 11.916 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.993 11.168 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.525 12.505 -1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.939 12.679 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.333 14.561 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.653 14.976 -1.086 1.00 0.00 H new ATOM 82 N ILE A 9 10.938 12.144 3.651 1.00 0.00 N ATOM 83 CA ILE A 9 11.861 11.841 4.759 1.00 0.00 C ATOM 84 C ILE A 9 12.882 10.754 4.387 1.00 0.00 C ATOM 85 O ILE A 9 12.558 9.788 3.688 1.00 0.00 O ATOM 86 CB ILE A 9 11.115 11.543 6.071 1.00 0.00 C ATOM 87 CG1 ILE A 9 10.117 10.379 5.929 1.00 0.00 C ATOM 88 CG2 ILE A 9 10.421 12.824 6.571 1.00 0.00 C ATOM 89 CD1 ILE A 9 9.683 9.856 7.293 1.00 0.00 C ATOM 0 H ILE A 9 10.062 11.625 3.706 1.00 0.00 H new ATOM 0 HA ILE A 9 12.442 12.745 4.942 1.00 0.00 H new ATOM 0 HB ILE A 9 11.847 11.221 6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.243 10.712 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.574 9.572 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.893 12.612 7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.168 13.598 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.710 13.170 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.979 9.035 7.161 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.556 9.501 7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.204 10.658 7.855 1.00 0.00 H new ATOM 101 N SER A 10 14.122 10.905 4.861 1.00 0.00 N ATOM 102 CA SER A 10 15.260 10.039 4.498 1.00 0.00 C ATOM 103 C SER A 10 15.224 8.656 5.163 1.00 0.00 C ATOM 104 O SER A 10 15.719 7.685 4.592 1.00 0.00 O ATOM 105 CB SER A 10 16.582 10.730 4.858 1.00 0.00 C ATOM 106 OG SER A 10 16.660 12.014 4.254 1.00 0.00 O ATOM 0 H SER A 10 14.373 11.643 5.519 1.00 0.00 H new ATOM 0 HA SER A 10 15.181 9.879 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.664 10.827 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.420 10.116 4.528 1.00 0.00 H new ATOM 0 HG SER A 10 17.509 12.439 4.497 1.00 0.00 H new ATOM 112 N GLU A 11 14.620 8.547 6.349 1.00 0.00 N ATOM 113 CA GLU A 11 14.397 7.273 7.051 1.00 0.00 C ATOM 114 C GLU A 11 13.106 6.578 6.580 1.00 0.00 C ATOM 115 O GLU A 11 12.112 7.242 6.274 1.00 0.00 O ATOM 116 CB GLU A 11 14.444 7.480 8.576 1.00 0.00 C ATOM 117 CG GLU A 11 13.330 8.375 9.138 1.00 0.00 C ATOM 118 CD GLU A 11 13.570 8.664 10.632 1.00 0.00 C ATOM 119 OE1 GLU A 11 14.041 9.778 10.970 1.00 0.00 O ATOM 120 OE2 GLU A 11 13.297 7.782 11.483 1.00 0.00 O ATOM 0 H GLU A 11 14.264 9.355 6.861 1.00 0.00 H new ATOM 0 HA GLU A 11 15.210 6.593 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.389 6.506 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.408 7.914 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.293 9.312 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.364 7.888 9.007 1.00 0.00 H new ATOM 127 N ARG A 12 13.124 5.240 6.505 1.00 0.00 N ATOM 128 CA ARG A 12 12.034 4.419 5.944 1.00 0.00 C ATOM 129 C ARG A 12 11.127 3.867 7.048 1.00 0.00 C ATOM 130 O ARG A 12 11.600 3.174 7.952 1.00 0.00 O ATOM 131 CB ARG A 12 12.612 3.302 5.048 1.00 0.00 C ATOM 132 CG ARG A 12 13.474 3.776 3.854 1.00 0.00 C ATOM 133 CD ARG A 12 12.691 4.193 2.598 1.00 0.00 C ATOM 134 NE ARG A 12 11.716 5.263 2.858 1.00 0.00 N ATOM 135 CZ ARG A 12 11.928 6.556 2.987 1.00 0.00 C ATOM 136 NH1 ARG A 12 13.065 7.132 2.732 1.00 0.00 N ATOM 137 NH2 ARG A 12 10.973 7.318 3.413 1.00 0.00 N ATOM 0 H ARG A 12 13.911 4.684 6.839 1.00 0.00 H new ATOM 0 HA ARG A 12 11.407 5.053 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.217 2.641 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.784 2.708 4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.082 4.620 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.161 2.974 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.392 4.526 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.170 3.324 2.196 1.00 0.00 H new ATOM 0 HE ARG A 12 10.745 4.963 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.858 6.576 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.164 8.140 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.065 6.916 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.128 8.321 3.516 1.00 0.00 H new ATOM 151 N ASN A 13 9.828 4.156 6.969 1.00 0.00 N ATOM 152 CA ASN A 13 8.846 3.851 8.016 1.00 0.00 C ATOM 153 C ASN A 13 7.989 2.622 7.660 1.00 0.00 C ATOM 154 O ASN A 13 6.885 2.763 7.133 1.00 0.00 O ATOM 155 CB ASN A 13 7.988 5.108 8.282 1.00 0.00 C ATOM 156 CG ASN A 13 8.715 6.249 8.980 1.00 0.00 C ATOM 157 OD1 ASN A 13 9.866 6.159 9.386 1.00 0.00 O ATOM 158 ND2 ASN A 13 8.042 7.360 9.181 1.00 0.00 N ATOM 0 H ASN A 13 9.418 4.619 6.158 1.00 0.00 H new ATOM 0 HA ASN A 13 9.372 3.586 8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.600 5.473 7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.128 4.821 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.479 8.139 9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.082 7.443 8.846 1.00 0.00 H new ATOM 165 N GLN A 14 8.452 1.407 7.984 1.00 0.00 N ATOM 166 CA GLN A 14 7.700 0.165 7.718 1.00 0.00 C ATOM 167 C GLN A 14 6.347 0.125 8.458 1.00 0.00 C ATOM 168 O GLN A 14 5.358 -0.355 7.908 1.00 0.00 O ATOM 169 CB GLN A 14 8.571 -1.054 8.071 1.00 0.00 C ATOM 170 CG GLN A 14 7.972 -2.381 7.559 1.00 0.00 C ATOM 171 CD GLN A 14 8.822 -3.609 7.899 1.00 0.00 C ATOM 172 OE1 GLN A 14 9.957 -3.531 8.351 1.00 0.00 O ATOM 173 NE2 GLN A 14 8.309 -4.805 7.694 1.00 0.00 N ATOM 0 H GLN A 14 9.354 1.254 8.436 1.00 0.00 H new ATOM 0 HA GLN A 14 7.463 0.137 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.565 -0.921 7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.692 -1.108 9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.977 -2.509 7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.851 -2.322 6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.365 -4.898 7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.856 -5.638 7.911 1.00 0.00 H new ATOM 182 N ASP A 15 6.263 0.704 9.662 1.00 0.00 N ATOM 183 CA ASP A 15 5.012 0.824 10.433 1.00 0.00 C ATOM 184 C ASP A 15 4.024 1.859 9.858 1.00 0.00 C ATOM 185 O ASP A 15 2.851 1.865 10.228 1.00 0.00 O ATOM 186 CB ASP A 15 5.337 1.124 11.902 1.00 0.00 C ATOM 187 CG ASP A 15 6.018 -0.070 12.585 1.00 0.00 C ATOM 188 OD1 ASP A 15 7.192 0.059 13.008 1.00 0.00 O ATOM 189 OD2 ASP A 15 5.376 -1.142 12.700 1.00 0.00 O ATOM 0 H ASP A 15 7.070 1.108 10.137 1.00 0.00 H new ATOM 0 HA ASP A 15 4.500 -0.135 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.987 1.997 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.419 1.374 12.435 1.00 0.00 H new ATOM 194 N ALA A 16 4.470 2.703 8.923 1.00 0.00 N ATOM 195 CA ALA A 16 3.629 3.582 8.108 1.00 0.00 C ATOM 196 C ALA A 16 3.596 3.130 6.629 1.00 0.00 C ATOM 197 O ALA A 16 3.107 3.857 5.765 1.00 0.00 O ATOM 198 CB ALA A 16 4.086 5.031 8.296 1.00 0.00 C ATOM 0 H ALA A 16 5.462 2.796 8.706 1.00 0.00 H new ATOM 0 HA ALA A 16 2.594 3.516 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.463 5.690 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.995 5.308 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.126 5.128 7.984 1.00 0.00 H new ATOM 204 N THR A 17 4.095 1.929 6.323 1.00 0.00 N ATOM 205 CA THR A 17 4.006 1.310 4.995 1.00 0.00 C ATOM 206 C THR A 17 2.856 0.309 4.978 1.00 0.00 C ATOM 207 O THR A 17 2.713 -0.507 5.890 1.00 0.00 O ATOM 208 CB THR A 17 5.343 0.678 4.566 1.00 0.00 C ATOM 209 OG1 THR A 17 6.366 1.645 4.611 1.00 0.00 O ATOM 210 CG2 THR A 17 5.352 0.155 3.128 1.00 0.00 C ATOM 0 H THR A 17 4.582 1.347 7.004 1.00 0.00 H new ATOM 0 HA THR A 17 3.796 2.084 4.257 1.00 0.00 H new ATOM 0 HB THR A 17 5.492 -0.152 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.489 1.949 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.328 -0.274 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.584 -0.610 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.150 0.977 2.441 1.00 0.00 H new ATOM 218 N VAL A 18 2.031 0.362 3.935 1.00 0.00 N ATOM 219 CA VAL A 18 0.993 -0.637 3.655 1.00 0.00 C ATOM 220 C VAL A 18 1.479 -1.605 2.582 1.00 0.00 C ATOM 221 O VAL A 18 2.208 -1.212 1.672 1.00 0.00 O ATOM 222 CB VAL A 18 -0.367 -0.006 3.286 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.817 0.996 4.354 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.381 0.729 1.944 1.00 0.00 C ATOM 0 H VAL A 18 2.063 1.113 3.246 1.00 0.00 H new ATOM 0 HA VAL A 18 0.815 -1.193 4.575 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.045 -0.857 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.777 1.425 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.918 0.486 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.076 1.791 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.374 1.141 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.349 1.538 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.128 0.032 1.145 1.00 0.00 H new ATOM 234 N TYR A 19 1.058 -2.860 2.678 1.00 0.00 N ATOM 235 CA TYR A 19 1.212 -3.888 1.650 1.00 0.00 C ATOM 236 C TYR A 19 -0.069 -3.931 0.808 1.00 0.00 C ATOM 237 O TYR A 19 -1.167 -3.781 1.348 1.00 0.00 O ATOM 238 CB TYR A 19 1.495 -5.237 2.330 1.00 0.00 C ATOM 239 CG TYR A 19 1.289 -6.458 1.449 1.00 0.00 C ATOM 240 CD1 TYR A 19 0.009 -7.042 1.349 1.00 0.00 C ATOM 241 CD2 TYR A 19 2.365 -7.008 0.728 1.00 0.00 C ATOM 242 CE1 TYR A 19 -0.198 -8.161 0.522 1.00 0.00 C ATOM 243 CE2 TYR A 19 2.166 -8.139 -0.088 1.00 0.00 C ATOM 244 CZ TYR A 19 0.881 -8.714 -0.202 1.00 0.00 C ATOM 245 OH TYR A 19 0.676 -9.800 -0.995 1.00 0.00 O ATOM 0 H TYR A 19 0.579 -3.206 3.509 1.00 0.00 H new ATOM 0 HA TYR A 19 2.050 -3.664 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.524 -5.237 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.852 -5.327 3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.816 -6.628 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.346 -6.562 0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.183 -8.597 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.998 -8.567 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 19 1.519 -10.056 -1.424 1.00 0.00 H new ATOM 255 N VAL A 20 0.067 -4.144 -0.501 1.00 0.00 N ATOM 256 CA VAL A 20 -1.036 -4.236 -1.467 1.00 0.00 C ATOM 257 C VAL A 20 -0.835 -5.477 -2.338 1.00 0.00 C ATOM 258 O VAL A 20 0.032 -5.492 -3.210 1.00 0.00 O ATOM 259 CB VAL A 20 -1.130 -2.969 -2.346 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.409 -3.026 -3.192 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.150 -1.667 -1.533 1.00 0.00 C ATOM 0 H VAL A 20 0.981 -4.262 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.974 -4.317 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.236 -2.959 -2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.475 -2.132 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.384 -3.909 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.278 -3.077 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.217 -0.816 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.012 -1.668 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.235 -1.591 -0.945 1.00 0.00 H new ATOM 271 N GLY A 21 -1.633 -6.521 -2.115 1.00 0.00 N ATOM 272 CA GLY A 21 -1.599 -7.765 -2.890 1.00 0.00 C ATOM 273 C GLY A 21 -2.744 -7.860 -3.899 1.00 0.00 C ATOM 274 O GLY A 21 -3.861 -7.424 -3.615 1.00 0.00 O ATOM 0 H GLY A 21 -2.336 -6.528 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.648 -7.834 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.648 -8.615 -2.209 1.00 0.00 H new ATOM 278 N GLY A 22 -2.479 -8.456 -5.064 1.00 0.00 N ATOM 279 CA GLY A 22 -3.483 -8.733 -6.107 1.00 0.00 C ATOM 280 C GLY A 22 -3.514 -7.690 -7.231 1.00 0.00 C ATOM 281 O GLY A 22 -4.575 -7.396 -7.781 1.00 0.00 O ATOM 0 H GLY A 22 -1.542 -8.768 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.283 -9.713 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.469 -8.784 -5.645 1.00 0.00 H new ATOM 285 N LEU A 23 -2.358 -7.100 -7.546 1.00 0.00 N ATOM 286 CA LEU A 23 -2.201 -6.018 -8.514 1.00 0.00 C ATOM 287 C LEU A 23 -2.331 -6.536 -9.950 1.00 0.00 C ATOM 288 O LEU A 23 -1.876 -7.637 -10.274 1.00 0.00 O ATOM 289 CB LEU A 23 -0.834 -5.341 -8.313 1.00 0.00 C ATOM 290 CG LEU A 23 -0.612 -4.695 -6.935 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.763 -4.039 -6.910 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.670 -3.643 -6.616 1.00 0.00 C ATOM 0 H LEU A 23 -1.475 -7.375 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.995 -5.289 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.053 -6.083 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.711 -4.575 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.685 -5.480 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.929 -3.578 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.529 -4.793 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.816 -3.276 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.472 -3.214 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.638 -2.855 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.656 -4.107 -6.618 1.00 0.00 H new ATOM 304 N ASP A 24 -2.905 -5.715 -10.826 1.00 0.00 N ATOM 305 CA ASP A 24 -3.005 -6.015 -12.253 1.00 0.00 C ATOM 306 C ASP A 24 -1.732 -5.621 -13.028 1.00 0.00 C ATOM 307 O ASP A 24 -0.987 -4.737 -12.607 1.00 0.00 O ATOM 308 CB ASP A 24 -4.251 -5.324 -12.825 1.00 0.00 C ATOM 309 CG ASP A 24 -4.465 -5.724 -14.284 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.827 -6.898 -14.521 1.00 0.00 O ATOM 311 OD2 ASP A 24 -4.192 -4.892 -15.178 1.00 0.00 O ATOM 0 H ASP A 24 -3.316 -4.819 -10.565 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.103 -7.094 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.127 -5.595 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.140 -4.242 -12.751 1.00 0.00 H new ATOM 316 N GLU A 25 -1.484 -6.226 -14.193 1.00 0.00 N ATOM 317 CA GLU A 25 -0.318 -5.923 -15.044 1.00 0.00 C ATOM 318 C GLU A 25 -0.220 -4.449 -15.500 1.00 0.00 C ATOM 319 O GLU A 25 0.874 -3.984 -15.831 1.00 0.00 O ATOM 320 CB GLU A 25 -0.290 -6.882 -16.249 1.00 0.00 C ATOM 321 CG GLU A 25 -1.475 -6.722 -17.213 1.00 0.00 C ATOM 322 CD GLU A 25 -1.366 -7.715 -18.386 1.00 0.00 C ATOM 323 OE1 GLU A 25 -0.811 -7.346 -19.451 1.00 0.00 O ATOM 324 OE2 GLU A 25 -1.837 -8.871 -18.258 1.00 0.00 O ATOM 0 H GLU A 25 -2.091 -6.949 -14.581 1.00 0.00 H new ATOM 0 HA GLU A 25 0.563 -6.079 -14.422 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.636 -6.725 -16.802 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.272 -7.908 -15.881 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.410 -6.887 -16.677 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.503 -5.702 -17.596 1.00 0.00 H new ATOM 331 N LYS A 26 -1.329 -3.691 -15.473 1.00 0.00 N ATOM 332 CA LYS A 26 -1.358 -2.243 -15.758 1.00 0.00 C ATOM 333 C LYS A 26 -0.907 -1.355 -14.582 1.00 0.00 C ATOM 334 O LYS A 26 -0.660 -0.164 -14.781 1.00 0.00 O ATOM 335 CB LYS A 26 -2.761 -1.856 -16.257 1.00 0.00 C ATOM 336 CG LYS A 26 -3.074 -2.517 -17.612 1.00 0.00 C ATOM 337 CD LYS A 26 -4.426 -2.084 -18.200 1.00 0.00 C ATOM 338 CE LYS A 26 -5.650 -2.468 -17.357 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.793 -3.938 -17.198 1.00 0.00 N ATOM 0 H LYS A 26 -2.248 -4.073 -15.249 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.619 -2.054 -16.537 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.507 -2.158 -15.522 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.829 -0.772 -16.354 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.282 -2.272 -18.320 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.068 -3.600 -17.490 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.419 -1.002 -18.332 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.533 -2.525 -19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.569 -2.006 -16.373 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.549 -2.067 -17.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.709 -4.152 -16.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.744 -4.394 -18.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.025 -4.298 -16.596 1.00 0.00 H new ATOM 353 N VAL A 27 -0.772 -1.905 -13.371 1.00 0.00 N ATOM 354 CA VAL A 27 -0.309 -1.187 -12.165 1.00 0.00 C ATOM 355 C VAL A 27 1.210 -0.967 -12.187 1.00 0.00 C ATOM 356 O VAL A 27 1.966 -1.849 -12.596 1.00 0.00 O ATOM 357 CB VAL A 27 -0.722 -1.938 -10.879 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.260 -1.220 -9.608 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.247 -2.099 -10.789 1.00 0.00 C ATOM 0 H VAL A 27 -0.985 -2.886 -13.191 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.792 -0.210 -12.167 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.237 -2.912 -10.944 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.576 -1.789 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.827 -1.135 -9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.702 -0.224 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.503 -2.631 -9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.717 -1.115 -10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.605 -2.665 -11.649 1.00 0.00 H new ATOM 369 N SER A 28 1.661 0.195 -11.701 1.00 0.00 N ATOM 370 CA SER A 28 3.080 0.481 -11.431 1.00 0.00 C ATOM 371 C SER A 28 3.255 1.364 -10.185 1.00 0.00 C ATOM 372 O SER A 28 2.298 1.964 -9.697 1.00 0.00 O ATOM 373 CB SER A 28 3.728 1.123 -12.664 1.00 0.00 C ATOM 374 OG SER A 28 5.140 1.025 -12.572 1.00 0.00 O ATOM 0 H SER A 28 1.044 0.976 -11.480 1.00 0.00 H new ATOM 0 HA SER A 28 3.585 -0.462 -11.222 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.378 0.627 -13.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.431 2.169 -12.739 1.00 0.00 H new ATOM 0 HG SER A 28 5.549 1.435 -13.363 1.00 0.00 H new ATOM 380 N GLU A 29 4.476 1.481 -9.668 1.00 0.00 N ATOM 381 CA GLU A 29 4.798 2.273 -8.471 1.00 0.00 C ATOM 382 C GLU A 29 4.317 3.743 -8.496 1.00 0.00 C ATOM 383 O GLU A 29 3.774 4.182 -7.477 1.00 0.00 O ATOM 384 CB GLU A 29 6.321 2.230 -8.238 1.00 0.00 C ATOM 385 CG GLU A 29 6.738 1.004 -7.415 1.00 0.00 C ATOM 386 CD GLU A 29 8.064 0.384 -7.899 1.00 0.00 C ATOM 387 OE1 GLU A 29 9.000 0.232 -7.080 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.159 -0.005 -9.088 1.00 0.00 O ATOM 0 H GLU A 29 5.290 1.020 -10.074 1.00 0.00 H new ATOM 0 HA GLU A 29 4.246 1.810 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.835 2.215 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.635 3.138 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.837 1.291 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.950 0.252 -7.466 1.00 0.00 H new ATOM 395 N PRO A 30 4.445 4.519 -9.597 1.00 0.00 N ATOM 396 CA PRO A 30 3.926 5.888 -9.635 1.00 0.00 C ATOM 397 C PRO A 30 2.393 5.948 -9.667 1.00 0.00 C ATOM 398 O PRO A 30 1.820 6.928 -9.187 1.00 0.00 O ATOM 399 CB PRO A 30 4.551 6.537 -10.869 1.00 0.00 C ATOM 400 CG PRO A 30 4.790 5.359 -11.801 1.00 0.00 C ATOM 401 CD PRO A 30 5.153 4.231 -10.840 1.00 0.00 C ATOM 0 HA PRO A 30 4.194 6.423 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.885 7.275 -11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.480 7.052 -10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.902 5.121 -12.386 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.594 5.561 -12.509 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.855 3.263 -11.244 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.230 4.190 -10.675 1.00 0.00 H new ATOM 409 N LEU A 31 1.717 4.897 -10.160 1.00 0.00 N ATOM 410 CA LEU A 31 0.260 4.782 -10.034 1.00 0.00 C ATOM 411 C LEU A 31 -0.106 4.646 -8.561 1.00 0.00 C ATOM 412 O LEU A 31 -0.898 5.441 -8.065 1.00 0.00 O ATOM 413 CB LEU A 31 -0.295 3.583 -10.827 1.00 0.00 C ATOM 414 CG LEU A 31 -1.833 3.469 -10.744 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.491 4.488 -11.662 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.256 2.072 -11.180 1.00 0.00 C ATOM 0 H LEU A 31 2.158 4.118 -10.648 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.189 5.683 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.002 3.676 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.154 2.664 -10.449 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.144 3.658 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.575 4.395 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.193 5.493 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.177 4.308 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.341 1.986 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.931 1.897 -12.206 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.799 1.332 -10.523 1.00 0.00 H new ATOM 428 N LEU A 32 0.490 3.670 -7.864 1.00 0.00 N ATOM 429 CA LEU A 32 0.197 3.425 -6.451 1.00 0.00 C ATOM 430 C LEU A 32 0.401 4.688 -5.614 1.00 0.00 C ATOM 431 O LEU A 32 -0.446 5.015 -4.793 1.00 0.00 O ATOM 432 CB LEU A 32 1.078 2.302 -5.879 1.00 0.00 C ATOM 433 CG LEU A 32 0.899 0.914 -6.502 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.615 -0.125 -5.643 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.569 0.505 -6.565 1.00 0.00 C ATOM 0 H LEU A 32 1.182 3.035 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.849 3.121 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.122 2.595 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.882 2.225 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 32 1.308 0.960 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.488 -1.113 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.677 0.115 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.192 -0.120 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.652 -0.485 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.984 0.483 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.121 1.224 -7.169 1.00 0.00 H new ATOM 447 N TRP A 33 1.480 5.427 -5.868 1.00 0.00 N ATOM 448 CA TRP A 33 1.783 6.670 -5.165 1.00 0.00 C ATOM 449 C TRP A 33 0.644 7.684 -5.309 1.00 0.00 C ATOM 450 O TRP A 33 -0.006 8.039 -4.326 1.00 0.00 O ATOM 451 CB TRP A 33 3.111 7.221 -5.696 1.00 0.00 C ATOM 452 CG TRP A 33 3.792 8.278 -4.885 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.232 9.352 -4.278 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.218 8.368 -4.608 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.215 10.079 -3.627 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.463 9.522 -3.809 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.326 7.578 -4.972 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.753 9.875 -3.387 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.627 7.922 -4.558 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.841 9.070 -3.771 1.00 0.00 C ATOM 0 H TRP A 33 2.173 5.177 -6.573 1.00 0.00 H new ATOM 0 HA TRP A 33 1.881 6.473 -4.097 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.802 6.385 -5.808 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.934 7.624 -6.693 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.182 9.603 -4.299 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.038 10.922 -3.081 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.175 6.696 -5.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.909 10.752 -2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.464 7.303 -4.845 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.842 9.333 -3.462 1.00 0.00 H new ATOM 471 N GLU A 34 0.364 8.113 -6.539 1.00 0.00 N ATOM 472 CA GLU A 34 -0.663 9.126 -6.829 1.00 0.00 C ATOM 473 C GLU A 34 -2.094 8.679 -6.481 1.00 0.00 C ATOM 474 O GLU A 34 -2.920 9.506 -6.093 1.00 0.00 O ATOM 475 CB GLU A 34 -0.589 9.527 -8.310 1.00 0.00 C ATOM 476 CG GLU A 34 0.707 10.283 -8.621 1.00 0.00 C ATOM 477 CD GLU A 34 0.650 10.940 -10.013 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.201 12.109 -10.117 1.00 0.00 O ATOM 479 OE2 GLU A 34 1.059 10.306 -11.017 1.00 0.00 O ATOM 0 H GLU A 34 0.843 7.768 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.445 9.979 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.650 8.635 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.446 10.152 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.876 11.047 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.552 9.596 -8.575 1.00 0.00 H new ATOM 486 N LEU A 35 -2.385 7.380 -6.568 1.00 0.00 N ATOM 487 CA LEU A 35 -3.680 6.799 -6.197 1.00 0.00 C ATOM 488 C LEU A 35 -3.903 6.805 -4.671 1.00 0.00 C ATOM 489 O LEU A 35 -5.027 7.008 -4.217 1.00 0.00 O ATOM 490 CB LEU A 35 -3.762 5.367 -6.764 1.00 0.00 C ATOM 491 CG LEU A 35 -5.186 4.806 -6.869 1.00 0.00 C ATOM 492 CD1 LEU A 35 -5.915 5.323 -8.108 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.155 3.280 -6.901 1.00 0.00 C ATOM 0 H LEU A 35 -1.716 6.688 -6.904 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.474 7.412 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.306 5.355 -7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.170 4.705 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.730 5.147 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.919 4.900 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.980 6.410 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.366 5.028 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.173 2.897 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.577 2.946 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.693 2.906 -5.987 1.00 0.00 H new ATOM 505 N PHE A 36 -2.848 6.606 -3.875 1.00 0.00 N ATOM 506 CA PHE A 36 -2.908 6.506 -2.410 1.00 0.00 C ATOM 507 C PHE A 36 -2.759 7.863 -1.699 1.00 0.00 C ATOM 508 O PHE A 36 -3.091 7.963 -0.516 1.00 0.00 O ATOM 509 CB PHE A 36 -1.886 5.466 -1.926 1.00 0.00 C ATOM 510 CG PHE A 36 -2.344 4.010 -1.979 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.627 3.379 -3.208 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.465 3.264 -0.791 1.00 0.00 C ATOM 513 CE1 PHE A 36 -3.019 2.029 -3.250 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.883 1.920 -0.827 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.163 1.303 -2.057 1.00 0.00 C ATOM 0 H PHE A 36 -1.901 6.507 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.907 6.167 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.982 5.565 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.613 5.704 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.542 3.939 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.235 3.727 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.209 1.551 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.988 1.363 0.092 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.488 0.273 -2.085 1.00 0.00 H new ATOM 525 N LEU A 37 -2.379 8.932 -2.415 1.00 0.00 N ATOM 526 CA LEU A 37 -2.417 10.322 -1.921 1.00 0.00 C ATOM 527 C LEU A 37 -3.796 10.757 -1.382 1.00 0.00 C ATOM 528 O LEU A 37 -3.895 11.689 -0.581 1.00 0.00 O ATOM 529 CB LEU A 37 -1.987 11.278 -3.051 1.00 0.00 C ATOM 530 CG LEU A 37 -0.480 11.348 -3.349 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.218 12.376 -4.450 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.338 11.748 -2.124 1.00 0.00 C ATOM 0 H LEU A 37 -2.030 8.856 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.727 10.369 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.503 10.982 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.333 12.281 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.174 10.349 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.851 12.422 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.751 12.084 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.567 13.356 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.395 11.783 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.018 12.731 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.186 11.017 -1.330 1.00 0.00 H new ATOM 544 N GLN A 38 -4.863 10.064 -1.786 1.00 0.00 N ATOM 545 CA GLN A 38 -6.227 10.245 -1.269 1.00 0.00 C ATOM 546 C GLN A 38 -6.304 9.993 0.245 1.00 0.00 C ATOM 547 O GLN A 38 -6.956 10.753 0.964 1.00 0.00 O ATOM 548 CB GLN A 38 -7.196 9.292 -1.991 1.00 0.00 C ATOM 549 CG GLN A 38 -7.179 9.496 -3.509 1.00 0.00 C ATOM 550 CD GLN A 38 -8.207 8.618 -4.218 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.366 8.974 -4.387 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.824 7.436 -4.649 1.00 0.00 N ATOM 0 H GLN A 38 -4.803 9.340 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.511 11.281 -1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.928 8.261 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.207 9.450 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.379 10.543 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.184 9.271 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.860 7.131 -4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.491 6.824 -5.120 1.00 0.00 H new ATOM 561 N ALA A 39 -5.594 8.973 0.735 1.00 0.00 N ATOM 562 CA ALA A 39 -5.558 8.614 2.153 1.00 0.00 C ATOM 563 C ALA A 39 -4.709 9.582 2.994 1.00 0.00 C ATOM 564 O ALA A 39 -5.141 10.024 4.061 1.00 0.00 O ATOM 565 CB ALA A 39 -5.017 7.188 2.273 1.00 0.00 C ATOM 0 H ALA A 39 -5.021 8.366 0.149 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.572 8.680 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.982 6.899 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.670 6.504 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.013 7.143 1.850 1.00 0.00 H new ATOM 571 N GLY A 40 -3.517 9.930 2.505 1.00 0.00 N ATOM 572 CA GLY A 40 -2.565 10.799 3.200 1.00 0.00 C ATOM 573 C GLY A 40 -1.290 11.086 2.391 1.00 0.00 C ATOM 574 O GLY A 40 -1.196 10.687 1.229 1.00 0.00 O ATOM 0 H GLY A 40 -3.180 9.609 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.055 11.743 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.288 10.336 4.147 1.00 0.00 H new ATOM 578 N PRO A 41 -0.289 11.755 2.987 1.00 0.00 N ATOM 579 CA PRO A 41 0.987 12.063 2.344 1.00 0.00 C ATOM 580 C PRO A 41 1.809 10.792 2.087 1.00 0.00 C ATOM 581 O PRO A 41 2.353 10.188 3.017 1.00 0.00 O ATOM 582 CB PRO A 41 1.699 13.028 3.299 1.00 0.00 C ATOM 583 CG PRO A 41 1.121 12.655 4.663 1.00 0.00 C ATOM 584 CD PRO A 41 -0.322 12.285 4.338 1.00 0.00 C ATOM 0 HA PRO A 41 0.848 12.512 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.781 12.898 3.271 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.496 14.069 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.659 11.821 5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.175 13.487 5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.706 11.546 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.975 13.155 4.403 1.00 0.00 H new ATOM 592 N VAL A 42 1.920 10.401 0.816 1.00 0.00 N ATOM 593 CA VAL A 42 2.774 9.293 0.364 1.00 0.00 C ATOM 594 C VAL A 42 4.208 9.791 0.160 1.00 0.00 C ATOM 595 O VAL A 42 4.446 10.825 -0.469 1.00 0.00 O ATOM 596 CB VAL A 42 2.228 8.613 -0.906 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.146 7.469 -1.358 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.829 8.027 -0.681 1.00 0.00 C ATOM 0 H VAL A 42 1.411 10.852 0.056 1.00 0.00 H new ATOM 0 HA VAL A 42 2.773 8.530 1.142 1.00 0.00 H new ATOM 0 HB VAL A 42 2.183 9.388 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.736 7.007 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.139 7.863 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.215 6.723 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.479 7.556 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.870 7.283 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.142 8.824 -0.398 1.00 0.00 H new ATOM 608 N VAL A 43 5.159 9.035 0.703 1.00 0.00 N ATOM 609 CA VAL A 43 6.593 9.358 0.804 1.00 0.00 C ATOM 610 C VAL A 43 7.432 8.526 -0.172 1.00 0.00 C ATOM 611 O VAL A 43 8.448 9.002 -0.677 1.00 0.00 O ATOM 612 CB VAL A 43 7.072 9.089 2.248 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.477 9.623 2.532 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.158 9.736 3.293 1.00 0.00 C ATOM 0 H VAL A 43 4.944 8.125 1.111 1.00 0.00 H new ATOM 0 HA VAL A 43 6.723 10.409 0.547 1.00 0.00 H new ATOM 0 HB VAL A 43 7.059 8.002 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.749 9.400 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.190 9.149 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.494 10.702 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.536 9.519 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.137 10.815 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.149 9.336 3.192 1.00 0.00 H new ATOM 624 N ASN A 44 7.032 7.269 -0.392 1.00 0.00 N ATOM 625 CA ASN A 44 7.770 6.252 -1.143 1.00 0.00 C ATOM 626 C ASN A 44 6.826 5.104 -1.589 1.00 0.00 C ATOM 627 O ASN A 44 5.782 4.878 -0.971 1.00 0.00 O ATOM 628 CB ASN A 44 8.923 5.792 -0.221 1.00 0.00 C ATOM 629 CG ASN A 44 9.674 4.557 -0.678 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.115 4.456 -1.814 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.852 3.595 0.196 1.00 0.00 N ATOM 0 H ASN A 44 6.144 6.918 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 44 8.185 6.640 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.634 6.612 -0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.516 5.601 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.362 2.753 -0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.480 3.689 1.141 1.00 0.00 H new ATOM 638 N THR A 45 7.194 4.349 -2.626 1.00 0.00 N ATOM 639 CA THR A 45 6.516 3.116 -3.084 1.00 0.00 C ATOM 640 C THR A 45 7.523 2.016 -3.434 1.00 0.00 C ATOM 641 O THR A 45 8.679 2.298 -3.762 1.00 0.00 O ATOM 642 CB THR A 45 5.604 3.345 -4.306 1.00 0.00 C ATOM 643 OG1 THR A 45 6.220 4.145 -5.289 1.00 0.00 O ATOM 644 CG2 THR A 45 4.282 4.005 -3.945 1.00 0.00 C ATOM 0 H THR A 45 8.005 4.582 -3.199 1.00 0.00 H new ATOM 0 HA THR A 45 5.897 2.804 -2.243 1.00 0.00 H new ATOM 0 HB THR A 45 5.417 2.344 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.614 4.249 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.684 4.140 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.740 3.373 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.473 4.976 -3.488 1.00 0.00 H new ATOM 652 N HIS A 46 7.096 0.748 -3.374 1.00 0.00 N ATOM 653 CA HIS A 46 7.919 -0.414 -3.722 1.00 0.00 C ATOM 654 C HIS A 46 7.079 -1.467 -4.448 1.00 0.00 C ATOM 655 O HIS A 46 6.018 -1.841 -3.955 1.00 0.00 O ATOM 656 CB HIS A 46 8.522 -1.012 -2.437 1.00 0.00 C ATOM 657 CG HIS A 46 9.510 -2.128 -2.680 1.00 0.00 C ATOM 658 ND1 HIS A 46 10.302 -2.294 -3.821 1.00 0.00 N ATOM 659 CD2 HIS A 46 9.762 -3.157 -1.819 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.016 -3.415 -3.617 1.00 0.00 C ATOM 661 NE2 HIS A 46 10.713 -3.950 -2.422 1.00 0.00 N ATOM 0 H HIS A 46 6.153 0.498 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 46 8.721 -0.097 -4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.017 -0.218 -1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.713 -1.387 -1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.305 -3.318 -0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.731 -3.827 -4.314 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.118 -4.799 -2.028 1.00 0.00 H new ATOM 669 N MET A 47 7.538 -1.975 -5.588 1.00 0.00 N ATOM 670 CA MET A 47 6.951 -3.139 -6.263 1.00 0.00 C ATOM 671 C MET A 47 8.075 -4.079 -6.723 1.00 0.00 C ATOM 672 O MET A 47 8.776 -3.751 -7.684 1.00 0.00 O ATOM 673 CB MET A 47 6.055 -2.720 -7.442 1.00 0.00 C ATOM 674 CG MET A 47 4.707 -2.172 -6.953 1.00 0.00 C ATOM 675 SD MET A 47 3.636 -1.431 -8.210 1.00 0.00 S ATOM 676 CE MET A 47 3.383 -2.856 -9.284 1.00 0.00 C ATOM 0 H MET A 47 8.342 -1.586 -6.081 1.00 0.00 H new ATOM 0 HA MET A 47 6.310 -3.667 -5.557 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.564 -1.961 -8.036 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.886 -3.576 -8.095 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.161 -2.985 -6.475 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.901 -1.423 -6.185 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.581 -2.641 -9.990 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.302 -3.067 -9.831 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.113 -3.723 -8.681 1.00 0.00 H new ATOM 686 N PRO A 48 8.261 -5.239 -6.066 1.00 0.00 N ATOM 687 CA PRO A 48 9.200 -6.276 -6.498 1.00 0.00 C ATOM 688 C PRO A 48 8.952 -6.757 -7.939 1.00 0.00 C ATOM 689 O PRO A 48 7.807 -6.813 -8.400 1.00 0.00 O ATOM 690 CB PRO A 48 9.064 -7.399 -5.464 1.00 0.00 C ATOM 691 CG PRO A 48 8.684 -6.628 -4.200 1.00 0.00 C ATOM 692 CD PRO A 48 7.736 -5.561 -4.745 1.00 0.00 C ATOM 0 HA PRO A 48 10.219 -5.891 -6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.298 -8.122 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.995 -7.953 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.197 -7.268 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.555 -6.189 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.713 -5.933 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.717 -4.682 -4.101 1.00 0.00 H new ATOM 700 N LYS A 49 10.032 -7.109 -8.652 1.00 0.00 N ATOM 701 CA LYS A 49 10.047 -7.373 -10.106 1.00 0.00 C ATOM 702 C LYS A 49 10.544 -8.779 -10.467 1.00 0.00 C ATOM 703 O LYS A 49 11.226 -9.438 -9.682 1.00 0.00 O ATOM 704 CB LYS A 49 10.903 -6.301 -10.822 1.00 0.00 C ATOM 705 CG LYS A 49 10.456 -4.845 -10.594 1.00 0.00 C ATOM 706 CD LYS A 49 9.184 -4.452 -11.369 1.00 0.00 C ATOM 707 CE LYS A 49 8.435 -3.254 -10.758 1.00 0.00 C ATOM 708 NZ LYS A 49 9.310 -2.080 -10.509 1.00 0.00 N ATOM 0 H LYS A 49 10.950 -7.222 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 49 9.013 -7.319 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.936 -6.403 -10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.890 -6.505 -11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.282 -4.692 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.267 -4.177 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.454 -4.214 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.512 -5.309 -11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.626 -2.960 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.976 -3.562 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.731 -1.276 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.005 -2.315 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.807 -1.826 -11.386 1.00 0.00 H new ATOM 722 N ASP A 50 10.200 -9.226 -11.669 1.00 0.00 N ATOM 723 CA ASP A 50 10.706 -10.435 -12.325 1.00 0.00 C ATOM 724 C ASP A 50 12.098 -10.211 -12.963 1.00 0.00 C ATOM 725 O ASP A 50 12.435 -9.096 -13.369 1.00 0.00 O ATOM 726 CB ASP A 50 9.676 -10.879 -13.374 1.00 0.00 C ATOM 727 CG ASP A 50 10.132 -12.148 -14.085 1.00 0.00 C ATOM 728 OD1 ASP A 50 10.701 -11.997 -15.188 1.00 0.00 O ATOM 729 OD2 ASP A 50 9.997 -13.257 -13.519 1.00 0.00 O ATOM 0 H ASP A 50 9.523 -8.730 -12.248 1.00 0.00 H new ATOM 0 HA ASP A 50 10.840 -11.219 -11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.714 -11.053 -12.893 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.528 -10.083 -14.103 1.00 0.00 H new ATOM 734 N ARG A 51 12.904 -11.278 -13.077 1.00 0.00 N ATOM 735 CA ARG A 51 14.312 -11.225 -13.523 1.00 0.00 C ATOM 736 C ARG A 51 14.566 -11.436 -15.027 1.00 0.00 C ATOM 737 O ARG A 51 15.725 -11.400 -15.444 1.00 0.00 O ATOM 738 CB ARG A 51 15.167 -12.147 -12.635 1.00 0.00 C ATOM 739 CG ARG A 51 14.866 -13.642 -12.835 1.00 0.00 C ATOM 740 CD ARG A 51 15.781 -14.525 -11.979 1.00 0.00 C ATOM 741 NE ARG A 51 15.542 -14.357 -10.529 1.00 0.00 N ATOM 742 CZ ARG A 51 14.628 -14.961 -9.789 1.00 0.00 C ATOM 743 NH1 ARG A 51 13.780 -15.817 -10.286 1.00 0.00 N ATOM 744 NH2 ARG A 51 14.547 -14.710 -8.514 1.00 0.00 N ATOM 0 H ARG A 51 12.592 -12.224 -12.858 1.00 0.00 H new ATOM 0 HA ARG A 51 14.624 -10.189 -13.391 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.221 -11.965 -12.845 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.001 -11.888 -11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.825 -13.841 -12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.991 -13.901 -13.886 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.628 -15.570 -12.250 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.821 -14.287 -12.202 1.00 0.00 H new ATOM 0 HE ARG A 51 16.153 -13.699 -10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.807 -16.042 -11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.090 -16.261 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.190 -14.046 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.841 -15.178 -7.946 1.00 0.00 H new ATOM 758 N VAL A 52 13.527 -11.649 -15.844 1.00 0.00 N ATOM 759 CA VAL A 52 13.642 -11.897 -17.302 1.00 0.00 C ATOM 760 C VAL A 52 12.634 -11.108 -18.134 1.00 0.00 C ATOM 761 O VAL A 52 12.945 -10.717 -19.260 1.00 0.00 O ATOM 762 CB VAL A 52 13.495 -13.392 -17.661 1.00 0.00 C ATOM 763 CG1 VAL A 52 14.779 -14.167 -17.355 1.00 0.00 C ATOM 764 CG2 VAL A 52 12.319 -14.090 -16.975 1.00 0.00 C ATOM 0 H VAL A 52 12.562 -11.656 -15.513 1.00 0.00 H new ATOM 0 HA VAL A 52 14.647 -11.554 -17.550 1.00 0.00 H new ATOM 0 HB VAL A 52 13.294 -13.399 -18.732 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.643 -15.216 -17.619 1.00 0.00 H new ATOM 0 HG12 VAL A 52 15.602 -13.751 -17.936 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.008 -14.087 -16.292 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.288 -15.136 -17.281 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.442 -14.032 -15.894 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.388 -13.600 -17.261 1.00 0.00 H new ATOM 774 N THR A 53 11.446 -10.844 -17.587 1.00 0.00 N ATOM 775 CA THR A 53 10.374 -10.083 -18.240 1.00 0.00 C ATOM 776 C THR A 53 10.253 -8.673 -17.665 1.00 0.00 C ATOM 777 O THR A 53 9.692 -7.781 -18.304 1.00 0.00 O ATOM 778 CB THR A 53 9.014 -10.789 -18.140 1.00 0.00 C ATOM 779 OG1 THR A 53 8.622 -10.943 -16.793 1.00 0.00 O ATOM 780 CG2 THR A 53 9.016 -12.159 -18.818 1.00 0.00 C ATOM 0 H THR A 53 11.194 -11.162 -16.651 1.00 0.00 H new ATOM 0 HA THR A 53 10.652 -10.018 -19.292 1.00 0.00 H new ATOM 0 HB THR A 53 8.301 -10.150 -18.662 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.312 -11.440 -16.306 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.031 -12.616 -18.719 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.257 -12.042 -19.875 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.762 -12.798 -18.345 1.00 0.00 H new ATOM 788 N GLY A 54 10.776 -8.468 -16.450 1.00 0.00 N ATOM 789 CA GLY A 54 10.777 -7.191 -15.740 1.00 0.00 C ATOM 790 C GLY A 54 9.400 -6.715 -15.242 1.00 0.00 C ATOM 791 O GLY A 54 9.283 -5.590 -14.756 1.00 0.00 O ATOM 0 H GLY A 54 11.225 -9.215 -15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.447 -7.270 -14.884 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.191 -6.428 -16.399 1.00 0.00 H new ATOM 795 N GLN A 55 8.361 -7.553 -15.349 1.00 0.00 N ATOM 796 CA GLN A 55 7.021 -7.297 -14.804 1.00 0.00 C ATOM 797 C GLN A 55 7.026 -7.362 -13.267 1.00 0.00 C ATOM 798 O GLN A 55 7.938 -7.937 -12.671 1.00 0.00 O ATOM 799 CB GLN A 55 6.022 -8.314 -15.390 1.00 0.00 C ATOM 800 CG GLN A 55 5.864 -8.233 -16.921 1.00 0.00 C ATOM 801 CD GLN A 55 5.247 -6.929 -17.431 1.00 0.00 C ATOM 802 OE1 GLN A 55 4.716 -6.105 -16.695 1.00 0.00 O ATOM 803 NE2 GLN A 55 5.278 -6.689 -18.725 1.00 0.00 N ATOM 0 H GLN A 55 8.430 -8.450 -15.829 1.00 0.00 H new ATOM 0 HA GLN A 55 6.714 -6.291 -15.089 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.345 -9.320 -15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.048 -8.158 -14.927 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.844 -8.360 -17.381 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.245 -9.066 -17.254 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.714 -7.360 -19.358 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.866 -5.832 -19.095 1.00 0.00 H new ATOM 812 N HIS A 56 6.017 -6.796 -12.599 1.00 0.00 N ATOM 813 CA HIS A 56 5.893 -6.897 -11.136 1.00 0.00 C ATOM 814 C HIS A 56 5.397 -8.280 -10.674 1.00 0.00 C ATOM 815 O HIS A 56 4.791 -9.033 -11.440 1.00 0.00 O ATOM 816 CB HIS A 56 5.059 -5.736 -10.578 1.00 0.00 C ATOM 817 CG HIS A 56 3.591 -5.802 -10.911 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.671 -6.662 -10.310 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.935 -4.999 -11.797 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.483 -6.369 -10.860 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.610 -5.366 -11.741 1.00 0.00 N ATOM 0 H HIS A 56 5.272 -6.262 -13.046 1.00 0.00 H new ATOM 0 HA HIS A 56 6.893 -6.804 -10.713 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.172 -5.713 -9.494 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.463 -4.799 -10.960 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.369 -4.229 -12.418 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.555 -6.870 -10.626 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.852 -4.946 -12.279 1.00 0.00 H new ATOM 829 N GLN A 57 5.661 -8.623 -9.409 1.00 0.00 N ATOM 830 CA GLN A 57 5.368 -9.942 -8.821 1.00 0.00 C ATOM 831 C GLN A 57 3.898 -10.133 -8.364 1.00 0.00 C ATOM 832 O GLN A 57 3.589 -11.089 -7.649 1.00 0.00 O ATOM 833 CB GLN A 57 6.375 -10.237 -7.690 1.00 0.00 C ATOM 834 CG GLN A 57 7.830 -10.374 -8.176 1.00 0.00 C ATOM 835 CD GLN A 57 8.810 -10.715 -7.048 1.00 0.00 C ATOM 836 OE1 GLN A 57 8.449 -11.127 -5.951 1.00 0.00 O ATOM 837 NE2 GLN A 57 10.100 -10.566 -7.263 1.00 0.00 N ATOM 0 H GLN A 57 6.094 -7.979 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 57 5.490 -10.677 -9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.322 -9.438 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.082 -11.158 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.880 -11.150 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.139 -9.441 -8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.431 -10.225 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.769 -10.791 -6.527 1.00 0.00 H new ATOM 846 N GLY A 58 2.976 -9.242 -8.752 1.00 0.00 N ATOM 847 CA GLY A 58 1.552 -9.277 -8.376 1.00 0.00 C ATOM 848 C GLY A 58 1.211 -8.557 -7.063 1.00 0.00 C ATOM 849 O GLY A 58 0.047 -8.540 -6.654 1.00 0.00 O ATOM 0 H GLY A 58 3.205 -8.452 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.968 -8.830 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.238 -10.318 -8.295 1.00 0.00 H new ATOM 853 N TYR A 59 2.198 -7.948 -6.402 1.00 0.00 N ATOM 854 CA TYR A 59 2.039 -7.188 -5.158 1.00 0.00 C ATOM 855 C TYR A 59 2.989 -5.981 -5.091 1.00 0.00 C ATOM 856 O TYR A 59 3.993 -5.910 -5.806 1.00 0.00 O ATOM 857 CB TYR A 59 2.226 -8.113 -3.945 1.00 0.00 C ATOM 858 CG TYR A 59 3.640 -8.626 -3.740 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.509 -7.967 -2.848 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.083 -9.768 -4.436 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.815 -8.454 -2.649 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.397 -10.241 -4.258 1.00 0.00 C ATOM 863 CZ TYR A 59 6.270 -9.581 -3.366 1.00 0.00 C ATOM 864 OH TYR A 59 7.546 -10.022 -3.196 1.00 0.00 O ATOM 0 H TYR A 59 3.164 -7.971 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 59 1.025 -6.787 -5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.917 -7.577 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.558 -8.967 -4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.173 -7.088 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.412 -10.282 -5.108 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.471 -7.963 -1.945 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.737 -11.109 -4.804 1.00 0.00 H new ATOM 0 HH TYR A 59 7.888 -10.370 -4.046 1.00 0.00 H new ATOM 874 N GLY A 60 2.657 -5.027 -4.223 1.00 0.00 N ATOM 875 CA GLY A 60 3.399 -3.789 -3.995 1.00 0.00 C ATOM 876 C GLY A 60 3.234 -3.249 -2.574 1.00 0.00 C ATOM 877 O GLY A 60 2.598 -3.869 -1.720 1.00 0.00 O ATOM 0 H GLY A 60 1.827 -5.099 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.457 -3.964 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.064 -3.034 -4.706 1.00 0.00 H new ATOM 881 N PHE A 61 3.802 -2.070 -2.335 1.00 0.00 N ATOM 882 CA PHE A 61 3.772 -1.355 -1.062 1.00 0.00 C ATOM 883 C PHE A 61 3.690 0.162 -1.269 1.00 0.00 C ATOM 884 O PHE A 61 4.226 0.693 -2.250 1.00 0.00 O ATOM 885 CB PHE A 61 5.033 -1.649 -0.238 1.00 0.00 C ATOM 886 CG PHE A 61 5.362 -3.102 0.044 1.00 0.00 C ATOM 887 CD1 PHE A 61 6.108 -3.854 -0.884 1.00 0.00 C ATOM 888 CD2 PHE A 61 4.989 -3.682 1.271 1.00 0.00 C ATOM 889 CE1 PHE A 61 6.483 -5.175 -0.586 1.00 0.00 C ATOM 890 CE2 PHE A 61 5.375 -4.999 1.576 1.00 0.00 C ATOM 891 CZ PHE A 61 6.119 -5.747 0.645 1.00 0.00 C ATOM 0 H PHE A 61 4.318 -1.565 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 61 2.884 -1.702 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.884 -1.206 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.938 -1.134 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.393 -3.414 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.405 -3.114 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.051 -5.750 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.101 -5.436 2.525 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.410 -6.761 0.876 1.00 0.00 H new ATOM 901 N VAL A 62 3.092 0.863 -0.303 1.00 0.00 N ATOM 902 CA VAL A 62 2.999 2.333 -0.270 1.00 0.00 C ATOM 903 C VAL A 62 3.352 2.849 1.122 1.00 0.00 C ATOM 904 O VAL A 62 2.758 2.427 2.111 1.00 0.00 O ATOM 905 CB VAL A 62 1.597 2.828 -0.684 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.611 4.346 -0.870 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.105 2.177 -1.983 1.00 0.00 C ATOM 0 H VAL A 62 2.647 0.418 0.500 1.00 0.00 H new ATOM 0 HA VAL A 62 3.713 2.727 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 62 0.914 2.545 0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.617 4.686 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.898 4.825 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.328 4.611 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.115 2.560 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.796 2.412 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.054 1.096 -1.852 1.00 0.00 H new ATOM 917 N GLU A 63 4.320 3.758 1.215 1.00 0.00 N ATOM 918 CA GLU A 63 4.807 4.334 2.471 1.00 0.00 C ATOM 919 C GLU A 63 4.214 5.722 2.712 1.00 0.00 C ATOM 920 O GLU A 63 4.372 6.627 1.892 1.00 0.00 O ATOM 921 CB GLU A 63 6.336 4.382 2.442 1.00 0.00 C ATOM 922 CG GLU A 63 6.948 4.895 3.754 1.00 0.00 C ATOM 923 CD GLU A 63 8.484 4.894 3.727 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.115 4.227 2.873 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.098 5.615 4.546 1.00 0.00 O ATOM 0 H GLU A 63 4.803 4.126 0.396 1.00 0.00 H new ATOM 0 HA GLU A 63 4.485 3.704 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.721 3.384 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.658 5.024 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.592 5.907 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.602 4.274 4.580 1.00 0.00 H new ATOM 932 N PHE A 64 3.579 5.903 3.866 1.00 0.00 N ATOM 933 CA PHE A 64 3.040 7.172 4.340 1.00 0.00 C ATOM 934 C PHE A 64 3.974 7.863 5.337 1.00 0.00 C ATOM 935 O PHE A 64 4.842 7.238 5.951 1.00 0.00 O ATOM 936 CB PHE A 64 1.654 6.940 4.950 1.00 0.00 C ATOM 937 CG PHE A 64 0.616 6.601 3.908 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.069 7.646 3.263 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.374 5.264 3.541 1.00 0.00 C ATOM 940 CE1 PHE A 64 -1.014 7.353 2.268 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.574 4.972 2.545 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.274 6.019 1.919 1.00 0.00 C ATOM 0 H PHE A 64 3.420 5.139 4.522 1.00 0.00 H new ATOM 0 HA PHE A 64 2.952 7.844 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.711 6.131 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.344 7.834 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.132 8.672 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.916 4.464 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.541 8.154 1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.764 3.947 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.015 5.795 1.166 1.00 0.00 H new ATOM 952 N LEU A 65 3.766 9.168 5.526 1.00 0.00 N ATOM 953 CA LEU A 65 4.522 9.965 6.494 1.00 0.00 C ATOM 954 C LEU A 65 4.291 9.496 7.944 1.00 0.00 C ATOM 955 O LEU A 65 5.217 9.541 8.757 1.00 0.00 O ATOM 956 CB LEU A 65 4.127 11.441 6.310 1.00 0.00 C ATOM 957 CG LEU A 65 5.109 12.435 6.951 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.402 12.548 6.142 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.469 13.823 7.007 1.00 0.00 C ATOM 0 H LEU A 65 3.067 9.703 5.011 1.00 0.00 H new ATOM 0 HA LEU A 65 5.589 9.837 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.052 11.656 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.137 11.598 6.737 1.00 0.00 H new ATOM 0 HG LEU A 65 5.342 12.067 7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.072 13.259 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.885 11.572 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.172 12.893 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.166 14.527 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.227 14.153 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.557 13.779 7.603 1.00 0.00 H new ATOM 971 N SER A 66 3.080 9.017 8.253 1.00 0.00 N ATOM 972 CA SER A 66 2.662 8.623 9.605 1.00 0.00 C ATOM 973 C SER A 66 1.745 7.393 9.591 1.00 0.00 C ATOM 974 O SER A 66 1.053 7.113 8.611 1.00 0.00 O ATOM 975 CB SER A 66 1.956 9.791 10.314 1.00 0.00 C ATOM 976 OG SER A 66 2.695 11.005 10.237 1.00 0.00 O ATOM 0 H SER A 66 2.347 8.890 7.555 1.00 0.00 H new ATOM 0 HA SER A 66 3.566 8.358 10.153 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.972 9.940 9.869 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.797 9.533 11.361 1.00 0.00 H new ATOM 0 HG SER A 66 2.205 11.716 10.700 1.00 0.00 H new ATOM 982 N GLU A 67 1.727 6.645 10.693 1.00 0.00 N ATOM 983 CA GLU A 67 0.977 5.387 10.836 1.00 0.00 C ATOM 984 C GLU A 67 -0.548 5.574 10.730 1.00 0.00 C ATOM 985 O GLU A 67 -1.235 4.744 10.136 1.00 0.00 O ATOM 986 CB GLU A 67 1.381 4.758 12.177 1.00 0.00 C ATOM 987 CG GLU A 67 0.628 3.460 12.499 1.00 0.00 C ATOM 988 CD GLU A 67 1.227 2.727 13.716 1.00 0.00 C ATOM 989 OE1 GLU A 67 1.456 3.357 14.777 1.00 0.00 O ATOM 990 OE2 GLU A 67 1.428 1.491 13.624 1.00 0.00 O ATOM 0 H GLU A 67 2.244 6.899 11.535 1.00 0.00 H new ATOM 0 HA GLU A 67 1.231 4.724 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.452 4.554 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.203 5.479 12.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.420 3.688 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.655 2.801 11.631 1.00 0.00 H new ATOM 997 N GLU A 68 -1.084 6.684 11.235 1.00 0.00 N ATOM 998 CA GLU A 68 -2.504 7.045 11.109 1.00 0.00 C ATOM 999 C GLU A 68 -2.948 7.315 9.658 1.00 0.00 C ATOM 1000 O GLU A 68 -4.112 7.098 9.317 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.834 8.242 12.021 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.889 9.448 11.883 1.00 0.00 C ATOM 1003 CD GLU A 68 -0.808 9.459 12.983 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -0.874 10.315 13.899 1.00 0.00 O ATOM 1005 OE2 GLU A 68 0.110 8.606 12.936 1.00 0.00 O ATOM 0 H GLU A 68 -0.538 7.373 11.753 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.074 6.175 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.851 8.571 11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.818 7.904 13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.411 9.424 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.468 10.370 11.933 1.00 0.00 H new ATOM 1012 N ASP A 69 -2.027 7.724 8.781 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.285 7.880 7.343 1.00 0.00 C ATOM 1014 C ASP A 69 -2.243 6.529 6.605 1.00 0.00 C ATOM 1015 O ASP A 69 -3.021 6.310 5.675 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.290 8.887 6.753 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.547 10.311 7.270 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.636 10.869 6.998 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.646 10.886 7.925 1.00 0.00 O ATOM 0 H ASP A 69 -1.072 7.959 9.050 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.295 8.268 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.274 8.586 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.363 8.876 5.666 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.412 5.587 7.070 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.395 4.215 6.566 1.00 0.00 C ATOM 1026 C ALA A 70 -2.665 3.450 6.981 1.00 0.00 C ATOM 1027 O ALA A 70 -3.303 2.808 6.149 1.00 0.00 O ATOM 1028 CB ALA A 70 -0.114 3.535 7.070 1.00 0.00 C ATOM 0 H ALA A 70 -0.731 5.760 7.810 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.392 4.216 5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.080 2.508 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.756 4.080 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.107 3.534 8.160 1.00 0.00 H new ATOM 1034 N ASP A 71 -3.097 3.587 8.239 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.349 3.015 8.752 1.00 0.00 C ATOM 1036 C ASP A 71 -5.585 3.492 7.963 1.00 0.00 C ATOM 1037 O ASP A 71 -6.509 2.713 7.720 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.474 3.373 10.239 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.715 2.730 10.881 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -6.690 3.460 11.181 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -5.705 1.498 11.112 1.00 0.00 O ATOM 0 H ASP A 71 -2.577 4.109 8.944 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.313 1.933 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.580 3.044 10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.529 4.456 10.348 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.575 4.739 7.481 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.637 5.273 6.624 1.00 0.00 C ATOM 1048 C TYR A 72 -6.597 4.666 5.212 1.00 0.00 C ATOM 1049 O TYR A 72 -7.645 4.347 4.653 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.562 6.805 6.585 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.832 7.460 6.067 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.772 7.986 6.976 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.085 7.526 4.683 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.958 8.583 6.502 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -9.265 8.126 4.205 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.206 8.657 5.113 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.348 9.233 4.644 1.00 0.00 O ATOM 0 H TYR A 72 -4.829 5.407 7.675 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.596 4.986 7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.354 7.177 7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.725 7.104 5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.583 7.932 8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.370 7.114 3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.677 8.984 7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.451 8.180 3.142 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.354 9.198 3.665 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.413 4.422 4.640 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.294 3.775 3.332 1.00 0.00 C ATOM 1069 C ALA A 73 -5.770 2.314 3.382 1.00 0.00 C ATOM 1070 O ALA A 73 -6.448 1.857 2.465 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.846 3.901 2.859 1.00 0.00 C ATOM 0 H ALA A 73 -4.519 4.665 5.067 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.944 4.272 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.739 3.424 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.580 4.955 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.185 3.414 3.576 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.516 1.613 4.492 1.00 0.00 N ATOM 1078 CA ILE A 74 -6.057 0.271 4.762 1.00 0.00 C ATOM 1079 C ILE A 74 -7.594 0.303 4.853 1.00 0.00 C ATOM 1080 O ILE A 74 -8.259 -0.629 4.397 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.411 -0.311 6.044 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.883 -0.445 5.862 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -6.016 -1.685 6.388 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -3.100 -0.647 7.160 1.00 0.00 C ATOM 0 H ILE A 74 -4.920 1.965 5.241 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.805 -0.387 3.931 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.615 0.375 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.682 -1.286 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.510 0.450 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.546 -2.073 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.088 -1.579 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.842 -2.376 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.037 -0.731 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.265 0.204 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.439 -1.559 7.652 1.00 0.00 H new ATOM 1096 N LYS A 75 -8.178 1.390 5.375 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.634 1.580 5.462 1.00 0.00 C ATOM 1098 C LYS A 75 -10.286 1.763 4.084 1.00 0.00 C ATOM 1099 O LYS A 75 -11.335 1.164 3.842 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.942 2.740 6.428 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.446 2.969 6.625 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.699 4.041 7.698 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.191 4.371 7.862 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.961 3.247 8.461 1.00 0.00 N ATOM 0 H LYS A 75 -7.646 2.173 5.754 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.081 0.671 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.481 2.534 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.487 3.654 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.898 3.278 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.925 2.035 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.300 3.697 8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.156 4.949 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.297 5.255 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.614 4.619 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.961 3.520 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.884 2.409 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.577 3.026 9.402 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.684 2.548 3.180 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.289 2.860 1.874 1.00 0.00 C ATOM 1120 C ILE A 76 -9.896 1.903 0.737 1.00 0.00 C ATOM 1121 O ILE A 76 -10.761 1.553 -0.062 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.066 4.334 1.474 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.586 4.755 1.384 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.810 5.257 2.453 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.390 6.005 0.529 1.00 0.00 C ATOM 0 H ILE A 76 -8.773 2.982 3.329 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.357 2.701 2.022 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.466 4.432 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.201 4.940 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.002 3.936 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.650 6.296 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.876 5.033 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.432 5.097 3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.331 6.261 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.748 5.814 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.951 6.834 0.962 1.00 0.00 H new ATOM 1137 N MET A 77 -8.637 1.456 0.646 1.00 0.00 N ATOM 1138 CA MET A 77 -8.108 0.720 -0.524 1.00 0.00 C ATOM 1139 C MET A 77 -8.262 -0.803 -0.449 1.00 0.00 C ATOM 1140 O MET A 77 -7.864 -1.520 -1.365 1.00 0.00 O ATOM 1141 CB MET A 77 -6.664 1.140 -0.824 1.00 0.00 C ATOM 1142 CG MET A 77 -6.555 2.568 -1.361 1.00 0.00 C ATOM 1143 SD MET A 77 -6.979 2.727 -3.114 1.00 0.00 S ATOM 1144 CE MET A 77 -6.403 4.420 -3.385 1.00 0.00 C ATOM 0 H MET A 77 -7.947 1.593 1.384 1.00 0.00 H new ATOM 0 HA MET A 77 -8.739 1.010 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.070 1.054 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.235 0.451 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.210 3.216 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.537 2.926 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.050 4.913 -4.111 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.430 4.969 -2.443 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.381 4.400 -3.765 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.860 -1.313 0.622 1.00 0.00 N ATOM 1155 CA ASP A 78 -9.036 -2.752 0.830 1.00 0.00 C ATOM 1156 C ASP A 78 -10.310 -3.292 0.161 1.00 0.00 C ATOM 1157 O ASP A 78 -11.386 -2.698 0.262 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.975 -3.086 2.323 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.964 -4.599 2.554 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -8.041 -5.269 2.030 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -9.857 -5.117 3.261 1.00 0.00 O ATOM 0 H ASP A 78 -9.239 -0.740 1.376 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.208 -3.263 0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.081 -2.643 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.832 -2.644 2.832 1.00 0.00 H new ATOM 1166 N MET A 79 -10.175 -4.419 -0.545 1.00 0.00 N ATOM 1167 CA MET A 79 -11.181 -5.019 -1.437 1.00 0.00 C ATOM 1168 C MET A 79 -11.680 -4.096 -2.572 1.00 0.00 C ATOM 1169 O MET A 79 -12.696 -4.378 -3.212 1.00 0.00 O ATOM 1170 CB MET A 79 -12.302 -5.720 -0.643 1.00 0.00 C ATOM 1171 CG MET A 79 -11.774 -6.778 0.340 1.00 0.00 C ATOM 1172 SD MET A 79 -10.678 -8.063 -0.343 1.00 0.00 S ATOM 1173 CE MET A 79 -11.789 -8.871 -1.529 1.00 0.00 C ATOM 0 H MET A 79 -9.317 -4.969 -0.510 1.00 0.00 H new ATOM 0 HA MET A 79 -10.659 -5.802 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 79 -12.871 -4.972 -0.091 1.00 0.00 H new ATOM 0 HB3 MET A 79 -12.992 -6.194 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.238 -6.263 1.137 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.630 -7.272 0.800 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.265 -9.694 -2.016 1.00 0.00 H new ATOM 0 HE2 MET A 79 -12.663 -9.257 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 79 -12.107 -8.148 -2.280 1.00 0.00 H new ATOM 1183 N ILE A 80 -10.947 -3.013 -2.860 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.126 -2.175 -4.053 1.00 0.00 C ATOM 1185 C ILE A 80 -10.688 -2.956 -5.299 1.00 0.00 C ATOM 1186 O ILE A 80 -9.809 -3.814 -5.227 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.383 -0.822 -3.864 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.345 0.186 -3.194 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.742 -0.256 -5.139 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -10.851 1.639 -3.160 1.00 0.00 C ATOM 0 H ILE A 80 -10.194 -2.687 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.177 -1.926 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.528 -1.011 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.300 0.156 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.533 -0.141 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.248 0.688 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.009 -0.965 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.514 -0.088 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.597 2.265 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.913 1.692 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.692 1.993 -4.179 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.289 -2.660 -6.456 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.035 -3.347 -7.732 1.00 0.00 C ATOM 1204 C LYS A 81 -10.264 -2.465 -8.720 1.00 0.00 C ATOM 1205 O LYS A 81 -10.805 -2.033 -9.740 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.365 -3.877 -8.288 1.00 0.00 C ATOM 1207 CG LYS A 81 -12.998 -4.939 -7.369 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.198 -5.647 -8.013 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.756 -6.681 -9.057 1.00 0.00 C ATOM 1210 NZ LYS A 81 -14.920 -7.262 -9.781 1.00 0.00 N ATOM 0 H LYS A 81 -11.984 -1.917 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.379 -4.201 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.060 -3.047 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.198 -4.307 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.244 -5.680 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.317 -4.465 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.787 -6.140 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.846 -4.908 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.080 -6.211 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.197 -7.478 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.584 -7.956 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.552 -7.732 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.438 -6.504 -10.269 1.00 0.00 H new ATOM 1224 N LEU A 82 -8.986 -2.213 -8.427 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.062 -1.491 -9.317 1.00 0.00 C ATOM 1226 C LEU A 82 -7.979 -2.215 -10.677 1.00 0.00 C ATOM 1227 O LEU A 82 -7.738 -3.422 -10.712 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.699 -1.368 -8.607 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.635 -0.528 -9.339 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.131 0.877 -9.689 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.406 -0.387 -8.437 1.00 0.00 C ATOM 0 H LEU A 82 -8.553 -2.508 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.418 -0.482 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.862 -0.934 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.300 -2.370 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.399 -1.045 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.341 1.424 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.003 0.804 -10.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.403 1.405 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.647 0.206 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.691 0.108 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.004 -1.375 -8.213 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.240 -1.511 -11.789 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.432 -2.125 -13.120 1.00 0.00 C ATOM 1245 C TYR A 83 -9.381 -3.362 -13.179 1.00 0.00 C ATOM 1246 O TYR A 83 -9.208 -4.232 -14.037 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.067 -2.394 -13.781 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.177 -1.176 -13.946 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -6.551 -0.144 -14.829 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -4.955 -1.099 -13.254 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -5.704 0.964 -15.023 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -4.103 0.004 -13.450 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.474 1.040 -14.333 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.644 2.102 -14.521 1.00 0.00 O ATOM 0 H TYR A 83 -8.325 -0.495 -11.795 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.980 -1.384 -13.702 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.534 -3.136 -13.187 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.238 -2.835 -14.763 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.490 -0.203 -15.359 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.670 -1.887 -12.572 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.995 1.755 -15.699 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.162 0.058 -12.923 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.174 2.897 -14.739 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.391 -3.471 -12.299 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.386 -4.560 -12.319 1.00 0.00 C ATOM 1266 C GLY A 84 -10.919 -5.902 -11.725 1.00 0.00 C ATOM 1267 O GLY A 84 -11.403 -6.959 -12.135 1.00 0.00 O ATOM 0 H GLY A 84 -10.542 -2.800 -11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.270 -4.230 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.693 -4.728 -13.351 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.982 -5.871 -10.769 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.303 -7.003 -10.128 1.00 0.00 C ATOM 1273 C LYS A 85 -9.073 -6.639 -8.645 1.00 0.00 C ATOM 1274 O LYS A 85 -8.462 -5.604 -8.377 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.992 -7.252 -10.892 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.228 -8.497 -10.410 1.00 0.00 C ATOM 1277 CD LYS A 85 -6.047 -8.825 -11.339 1.00 0.00 C ATOM 1278 CE LYS A 85 -6.527 -9.416 -12.675 1.00 0.00 C ATOM 1279 NZ LYS A 85 -5.438 -9.483 -13.682 1.00 0.00 N ATOM 0 H LYS A 85 -9.653 -4.981 -10.394 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.889 -7.922 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.214 -7.360 -11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.349 -6.378 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.861 -8.331 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.907 -9.349 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.469 -7.920 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.380 -9.532 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.925 -10.416 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.344 -8.810 -13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.745 -10.066 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.214 -8.524 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.592 -9.906 -13.251 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.614 -7.404 -7.679 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.648 -7.002 -6.273 1.00 0.00 C ATOM 1295 C PRO A 86 -8.267 -7.031 -5.599 1.00 0.00 C ATOM 1296 O PRO A 86 -7.557 -8.038 -5.656 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.671 -7.925 -5.601 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.679 -9.167 -6.489 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.406 -8.603 -7.880 1.00 0.00 C ATOM 0 HA PRO A 86 -9.945 -5.958 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.381 -8.166 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.656 -7.462 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.914 -9.883 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.636 -9.687 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.870 -9.326 -8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.338 -8.373 -8.397 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.917 -5.931 -4.922 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.689 -5.767 -4.131 1.00 0.00 C ATOM 1309 C ILE A 87 -6.953 -5.909 -2.623 1.00 0.00 C ATOM 1310 O ILE A 87 -7.988 -5.476 -2.114 1.00 0.00 O ATOM 1311 CB ILE A 87 -5.940 -4.452 -4.464 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.795 -3.175 -4.302 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.375 -4.532 -5.891 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -5.967 -1.892 -4.150 1.00 0.00 C ATOM 0 H ILE A 87 -8.504 -5.097 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.026 -6.583 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.137 -4.363 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.449 -3.074 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.438 -3.287 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.848 -3.607 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.684 -5.372 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.192 -4.674 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.636 -1.038 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.332 -1.971 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.344 -1.754 -5.034 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.999 -6.504 -1.901 1.00 0.00 N ATOM 1327 CA ARG A 88 -6.026 -6.723 -0.443 1.00 0.00 C ATOM 1328 C ARG A 88 -4.947 -5.867 0.229 1.00 0.00 C ATOM 1329 O ARG A 88 -3.796 -5.895 -0.211 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.837 -8.228 -0.176 1.00 0.00 C ATOM 1331 CG ARG A 88 -5.987 -8.644 1.296 1.00 0.00 C ATOM 1332 CD ARG A 88 -7.446 -8.644 1.776 1.00 0.00 C ATOM 1333 NE ARG A 88 -7.526 -9.011 3.203 1.00 0.00 N ATOM 1334 CZ ARG A 88 -7.341 -8.210 4.239 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -7.215 -6.922 4.113 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -7.263 -8.701 5.443 1.00 0.00 N ATOM 0 H ARG A 88 -5.147 -6.864 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.982 -6.418 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.562 -8.782 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.847 -8.523 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.566 -9.641 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.405 -7.966 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.884 -7.657 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.030 -9.347 1.181 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.747 -9.984 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.258 -6.493 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.074 -6.340 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.345 -9.707 5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.120 -8.079 6.239 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.309 -5.115 1.273 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.446 -4.098 1.906 1.00 0.00 C ATOM 1352 C VAL A 89 -4.367 -4.272 3.426 1.00 0.00 C ATOM 1353 O VAL A 89 -5.389 -4.430 4.095 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.898 -2.668 1.533 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.889 -1.603 1.980 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.050 -2.500 0.015 1.00 0.00 C ATOM 0 H VAL A 89 -6.225 -5.193 1.714 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.440 -4.248 1.514 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.851 -2.532 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.252 -0.616 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.769 -1.647 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.928 -1.788 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.369 -1.482 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.094 -2.695 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.795 -3.203 -0.356 1.00 0.00 H new ATOM 1366 N ASN A 90 -3.150 -4.230 3.977 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.844 -4.265 5.417 1.00 0.00 C ATOM 1368 C ASN A 90 -1.464 -3.629 5.713 1.00 0.00 C ATOM 1369 O ASN A 90 -0.792 -3.139 4.804 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.958 -5.720 5.940 1.00 0.00 C ATOM 1371 CG ASN A 90 -1.920 -6.704 5.413 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -1.100 -6.418 4.556 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -1.931 -7.918 5.914 1.00 0.00 N ATOM 0 H ASN A 90 -2.307 -4.168 3.406 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.575 -3.661 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.891 -5.700 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.949 -6.099 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.258 -8.611 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.612 -8.168 6.631 1.00 0.00 H new ATOM 1380 N LYS A 91 -1.032 -3.607 6.982 1.00 0.00 N ATOM 1381 CA LYS A 91 0.280 -3.071 7.402 1.00 0.00 C ATOM 1382 C LYS A 91 1.428 -3.944 6.874 1.00 0.00 C ATOM 1383 O LYS A 91 1.377 -5.168 6.986 1.00 0.00 O ATOM 1384 CB LYS A 91 0.362 -2.982 8.944 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.749 -2.158 9.618 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.585 -0.637 9.475 1.00 0.00 C ATOM 1387 CE LYS A 91 0.513 -0.034 10.363 1.00 0.00 C ATOM 1388 NZ LYS A 91 0.245 -0.219 11.813 1.00 0.00 N ATOM 0 H LYS A 91 -1.588 -3.965 7.759 1.00 0.00 H new ATOM 0 HA LYS A 91 0.380 -2.071 6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.339 -3.993 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.326 -2.551 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.710 -2.449 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.780 -2.410 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.363 -0.404 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.534 -0.157 9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.469 -0.493 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.605 1.031 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.814 0.458 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.765 -0.057 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.498 -1.188 12.092 1.00 0.00 H new ATOM 1402 N ALA A 92 2.512 -3.325 6.403 1.00 0.00 N ATOM 1403 CA ALA A 92 3.737 -4.023 5.988 1.00 0.00 C ATOM 1404 C ALA A 92 4.555 -4.599 7.173 1.00 0.00 C ATOM 1405 O ALA A 92 5.547 -5.297 6.958 1.00 0.00 O ATOM 1406 CB ALA A 92 4.573 -3.058 5.139 1.00 0.00 C ATOM 0 H ALA A 92 2.568 -2.312 6.296 1.00 0.00 H new ATOM 0 HA ALA A 92 3.452 -4.896 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.489 -3.555 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.000 -2.754 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.825 -2.178 5.731 1.00 0.00 H new ATOM 1412 N SER A 93 4.149 -4.314 8.417 1.00 0.00 N ATOM 1413 CA SER A 93 4.723 -4.830 9.672 1.00 0.00 C ATOM 1414 C SER A 93 3.753 -5.714 10.488 1.00 0.00 C ATOM 1415 O SER A 93 4.025 -6.007 11.654 1.00 0.00 O ATOM 1416 CB SER A 93 5.234 -3.656 10.519 1.00 0.00 C ATOM 1417 OG SER A 93 4.178 -2.770 10.854 1.00 0.00 O ATOM 0 H SER A 93 3.367 -3.682 8.587 1.00 0.00 H new ATOM 0 HA SER A 93 5.549 -5.485 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.697 -4.035 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.005 -3.116 9.970 1.00 0.00 H new ATOM 0 HG SER A 93 4.491 -2.126 11.523 1.00 0.00 H new ATOM 1423 N ALA A 94 2.615 -6.130 9.911 1.00 0.00 N ATOM 1424 CA ALA A 94 1.517 -6.795 10.628 1.00 0.00 C ATOM 1425 C ALA A 94 1.932 -8.072 11.393 1.00 0.00 C ATOM 1426 O ALA A 94 2.674 -8.915 10.876 1.00 0.00 O ATOM 1427 CB ALA A 94 0.389 -7.115 9.638 1.00 0.00 C ATOM 0 H ALA A 94 2.429 -6.011 8.915 1.00 0.00 H new ATOM 0 HA ALA A 94 1.181 -6.096 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.428 -7.608 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.026 -6.191 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.767 -7.774 8.856 1.00 0.00 H new ATOM 1433 N HIS A 95 1.407 -8.228 12.616 1.00 0.00 N ATOM 1434 CA HIS A 95 1.631 -9.395 13.492 1.00 0.00 C ATOM 1435 C HIS A 95 0.526 -9.596 14.546 1.00 0.00 C ATOM 1436 O HIS A 95 0.167 -10.735 14.854 1.00 0.00 O ATOM 1437 CB HIS A 95 3.000 -9.266 14.191 1.00 0.00 C ATOM 1438 CG HIS A 95 3.095 -8.145 15.202 1.00 0.00 C ATOM 1439 ND1 HIS A 95 3.193 -8.306 16.588 1.00 0.00 N ATOM 1440 CD2 HIS A 95 3.063 -6.812 14.916 1.00 0.00 C ATOM 1441 CE1 HIS A 95 3.226 -7.063 17.103 1.00 0.00 C ATOM 1442 NE2 HIS A 95 3.145 -6.148 16.120 1.00 0.00 N ATOM 0 H HIS A 95 0.797 -7.528 13.039 1.00 0.00 H new ATOM 0 HA HIS A 95 1.609 -10.275 12.848 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.226 -10.207 14.692 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.767 -9.117 13.431 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.988 -6.364 13.936 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.306 -6.833 18.155 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.144 -5.136 16.245 1.00 0.00 H new ATOM 1450 N ASN A 96 -0.024 -8.505 15.091 1.00 0.00 N ATOM 1451 CA ASN A 96 -1.016 -8.498 16.172 1.00 0.00 C ATOM 1452 C ASN A 96 -2.474 -8.529 15.664 1.00 0.00 C ATOM 1453 O ASN A 96 -2.775 -8.053 14.565 1.00 0.00 O ATOM 1454 CB ASN A 96 -0.734 -7.286 17.081 1.00 0.00 C ATOM 1455 CG ASN A 96 -0.970 -5.946 16.395 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -0.336 -5.605 15.404 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -1.886 -5.147 16.888 1.00 0.00 N ATOM 0 H ASN A 96 0.220 -7.565 14.778 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.913 -9.418 16.747 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.368 -7.349 17.965 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.299 -7.332 17.425 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.068 -4.246 16.446 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.416 -5.427 17.713 1.00 0.00 H new ATOM 1464 N LYS A 97 -3.386 -9.074 16.487 1.00 0.00 N ATOM 1465 CA LYS A 97 -4.824 -9.267 16.179 1.00 0.00 C ATOM 1466 C LYS A 97 -5.776 -8.749 17.280 1.00 0.00 C ATOM 1467 O LYS A 97 -6.972 -9.050 17.262 1.00 0.00 O ATOM 1468 CB LYS A 97 -5.085 -10.755 15.855 1.00 0.00 C ATOM 1469 CG LYS A 97 -4.316 -11.257 14.619 1.00 0.00 C ATOM 1470 CD LYS A 97 -4.577 -12.742 14.308 1.00 0.00 C ATOM 1471 CE LYS A 97 -6.036 -13.092 13.972 1.00 0.00 C ATOM 1472 NZ LYS A 97 -6.491 -12.477 12.696 1.00 0.00 N ATOM 0 H LYS A 97 -3.139 -9.406 17.419 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.051 -8.655 15.306 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.807 -11.361 16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.153 -10.902 15.693 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.597 -10.656 13.754 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.248 -11.107 14.777 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.946 -13.038 13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.265 -13.337 15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.141 -14.175 13.907 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.682 -12.758 14.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.480 -12.743 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.418 -11.442 12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.893 -12.815 11.915 1.00 0.00 H new ATOM 1486 N ASN A 98 -5.261 -7.996 18.253 1.00 0.00 N ATOM 1487 CA ASN A 98 -6.004 -7.503 19.421 1.00 0.00 C ATOM 1488 C ASN A 98 -6.979 -6.353 19.089 1.00 0.00 C ATOM 1489 O ASN A 98 -6.683 -5.494 18.254 1.00 0.00 O ATOM 1490 CB ASN A 98 -5.002 -7.100 20.523 1.00 0.00 C ATOM 1491 CG ASN A 98 -4.117 -5.924 20.128 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -3.299 -6.015 19.222 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -4.241 -4.790 20.775 1.00 0.00 N ATOM 0 H ASN A 98 -4.284 -7.701 18.253 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.638 -8.315 19.779 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.551 -6.845 21.429 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -4.372 -7.956 20.763 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -3.658 -3.992 20.522 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -4.920 -4.706 21.531 1.00 0.00 H new ATOM 1500 N LEU A 99 -8.115 -6.309 19.798 1.00 0.00 N ATOM 1501 CA LEU A 99 -9.073 -5.190 19.780 1.00 0.00 C ATOM 1502 C LEU A 99 -8.849 -4.225 20.963 1.00 0.00 C ATOM 1503 O LEU A 99 -8.831 -3.009 20.766 1.00 0.00 O ATOM 1504 CB LEU A 99 -10.501 -5.771 19.754 1.00 0.00 C ATOM 1505 CG LEU A 99 -11.629 -4.722 19.691 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -11.570 -3.866 18.423 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -12.985 -5.427 19.720 1.00 0.00 C ATOM 0 H LEU A 99 -8.402 -7.068 20.416 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.919 -4.589 18.884 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.592 -6.433 18.893 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.644 -6.384 20.644 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.498 -4.068 20.553 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.388 -3.145 18.432 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -10.619 -3.335 18.386 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.662 -4.507 17.546 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.782 -4.685 19.675 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.065 -6.097 18.864 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.076 -6.002 20.641 1.00 0.00 H new ATOM 1519 N SER A 100 -8.618 -4.776 22.163 1.00 0.00 N ATOM 1520 CA SER A 100 -8.323 -4.064 23.423 1.00 0.00 C ATOM 1521 C SER A 100 -9.403 -3.059 23.887 1.00 0.00 C ATOM 1522 O SER A 100 -10.459 -2.901 23.267 1.00 0.00 O ATOM 1523 CB SER A 100 -6.918 -3.440 23.352 1.00 0.00 C ATOM 1524 OG SER A 100 -5.944 -4.448 23.103 1.00 0.00 O ATOM 0 H SER A 100 -8.632 -5.788 22.292 1.00 0.00 H new ATOM 0 HA SER A 100 -8.343 -4.817 24.210 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.885 -2.689 22.562 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.692 -2.929 24.288 1.00 0.00 H new ATOM 0 HG SER A 100 -5.053 -4.104 23.324 1.00 0.00 H new ATOM 1530 N GLY A 101 -9.168 -2.412 25.035 1.00 0.00 N ATOM 1531 CA GLY A 101 -10.075 -1.445 25.667 1.00 0.00 C ATOM 1532 C GLY A 101 -9.426 -0.697 26.848 1.00 0.00 C ATOM 1533 O GLY A 101 -8.258 -0.954 27.168 1.00 0.00 O ATOM 0 H GLY A 101 -8.310 -2.552 25.569 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.403 -0.721 24.921 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.966 -1.966 26.019 1.00 0.00 H new ATOM 1537 N PRO A 102 -10.150 0.235 27.498 1.00 0.00 N ATOM 1538 CA PRO A 102 -9.625 1.053 28.593 1.00 0.00 C ATOM 1539 C PRO A 102 -9.356 0.238 29.871 1.00 0.00 C ATOM 1540 O PRO A 102 -10.107 -0.675 30.222 1.00 0.00 O ATOM 1541 CB PRO A 102 -10.672 2.150 28.820 1.00 0.00 C ATOM 1542 CG PRO A 102 -11.977 1.489 28.373 1.00 0.00 C ATOM 1543 CD PRO A 102 -11.532 0.602 27.210 1.00 0.00 C ATOM 0 HA PRO A 102 -8.652 1.471 28.334 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.714 2.456 29.865 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.452 3.043 28.235 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.430 0.906 29.175 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -12.716 2.226 28.059 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.163 -0.283 27.129 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -11.606 1.134 26.262 1.00 0.00 H new ATOM 1551 N SER A 103 -8.299 0.606 30.600 1.00 0.00 N ATOM 1552 CA SER A 103 -7.864 -0.045 31.850 1.00 0.00 C ATOM 1553 C SER A 103 -8.608 0.435 33.111 1.00 0.00 C ATOM 1554 O SER A 103 -8.445 -0.148 34.186 1.00 0.00 O ATOM 1555 CB SER A 103 -6.350 0.133 32.017 1.00 0.00 C ATOM 1556 OG SER A 103 -5.998 1.511 32.000 1.00 0.00 O ATOM 0 H SER A 103 -7.701 1.388 30.333 1.00 0.00 H new ATOM 0 HA SER A 103 -8.118 -1.100 31.753 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.028 -0.318 32.956 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.827 -0.390 31.216 1.00 0.00 H new ATOM 0 HG SER A 103 -5.028 1.602 32.110 1.00 0.00 H new ATOM 1562 N SER A 104 -9.446 1.472 32.994 1.00 0.00 N ATOM 1563 CA SER A 104 -10.182 2.097 34.109 1.00 0.00 C ATOM 1564 C SER A 104 -11.375 1.274 34.636 1.00 0.00 C ATOM 1565 O SER A 104 -11.914 1.598 35.698 1.00 0.00 O ATOM 1566 CB SER A 104 -10.685 3.483 33.682 1.00 0.00 C ATOM 1567 OG SER A 104 -9.622 4.278 33.173 1.00 0.00 O ATOM 0 H SER A 104 -9.639 1.915 32.096 1.00 0.00 H new ATOM 0 HA SER A 104 -9.468 2.162 34.930 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.458 3.374 32.922 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.144 3.985 34.534 1.00 0.00 H new ATOM 0 HG SER A 104 -9.968 5.155 32.906 1.00 0.00 H new ATOM 1573 N GLY A 105 -11.803 0.232 33.906 1.00 0.00 N ATOM 1574 CA GLY A 105 -12.928 -0.655 34.257 1.00 0.00 C ATOM 1575 C GLY A 105 -12.631 -1.591 35.432 1.00 0.00 C ATOM 1576 O GLY A 105 -13.360 -1.525 36.446 1.00 0.00 O ATOM 1577 OXT GLY A 105 -11.690 -2.408 35.320 1.00 0.00 O ATOM 0 H GLY A 105 -11.361 -0.027 33.024 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.798 -0.045 34.501 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -13.193 -1.253 33.385 1.00 0.00 H new TER 1581 GLY A 105