USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 978 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 23 THR OG1 : rot 99:sc= -2.78! USER MOD Set 1.2: A 131 LYS NZ :NH3+ -120:sc= -2.44! (180deg=-6.93!) USER MOD Set 2.1: A 119 GLN :FLIP amide:sc= -0.909 F(o=-2.1,f=-1.1) USER MOD Set 2.2: A 130 ASN : amide:sc= -0.231 K(o=-1.1,f=-3.9!) USER MOD Set 3.1: A 117 THR OG1 : rot -65:sc= 0.206 USER MOD Set 3.2: A 134 HIS :FLIP no HD1:sc= -2.67! C(o=-4.1!,f=-2.5!) USER MOD Set 4.1: A 111 GLN : amide:sc= -0.907 X(o=-1.9,f=-1.7) USER MOD Set 4.2: A 113 SER OG : rot -70:sc= -0.957 USER MOD Set 5.1: A 94 THR OG1 : rot 68:sc= -1.03! USER MOD Set 5.2: A 95 SER OG : rot 165:sc= -0.0861 USER MOD Set 6.1: A 38 TYR OH : rot 180:sc= 0.00215 USER MOD Set 6.2: A 104 SER OG : rot -180:sc= -0.431! USER MOD Set 7.1: A 33 LYS NZ :NH3+ 152:sc= -0.51 (180deg=-2.18) USER MOD Set 7.2: A 142 SER OG : rot 180:sc= -0.141 USER MOD Single : A 20 SER OG : rot 86:sc= -0.0177 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -164:sc=-0.00617 (180deg=-0.229) USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0.28 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.135) USER MOD Single : A 44 THR OG1 : rot 69:sc= 0.245 USER MOD Single : A 46 SER OG : rot 180:sc= -0.565 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 60 SER OG : rot 160:sc= 0.632 USER MOD Single : A 64 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= -0.431 (180deg=-0.463) USER MOD Single : A 69 GLN : amide:sc= -2.54! C(o=-2.5!,f=-5.7!) USER MOD Single : A 74 TYR OH : rot 2:sc= -1.65! USER MOD Single : A 75 SER OG : rot -8:sc= 0.4 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc=-0.00495 (180deg=-0.0888) USER MOD Single : A 80 TYR OH : rot 77:sc= -1.03 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 130:sc= -2.06! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HE2:sc= -2.24! C(o=-4!,f=-2.2!) USER MOD Single : A 96 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.2) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -171:sc= -0.856 USER MOD Single : A 106 ASN : amide:sc= -4.55! C(o=-4.5!,f=-7!) USER MOD Single : A 108 THR OG1 : rot -149:sc= -0.911! USER MOD Single : A 109 ASN : amide:sc= -0.0458 K(o=-0.046,f=-0.79) USER MOD Single : A 118 TYR OH : rot -25:sc= -0.01 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -163:sc= -0.428 (180deg=-1.19) USER MOD Single : A 132 LYS NZ :NH3+ -167:sc= -0.0343 (180deg=-0.221) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -4.552 -17.132 -12.779 1.00 3.28 N ATOM 2 CA GLY A 19 -3.270 -16.638 -13.355 1.00 2.94 C ATOM 3 C GLY A 19 -2.426 -15.892 -12.340 1.00 2.29 C ATOM 4 O GLY A 19 -1.208 -15.796 -12.486 1.00 2.40 O ATOM 0 HA2 GLY A 19 -2.702 -17.482 -13.745 1.00 2.94 H new ATOM 0 HA3 GLY A 19 -3.484 -15.981 -14.198 1.00 2.94 H new ATOM 10 N SER A 20 -3.076 -15.363 -11.309 1.00 2.00 N ATOM 11 CA SER A 20 -2.380 -14.622 -10.265 1.00 1.53 C ATOM 12 C SER A 20 -3.215 -14.577 -8.990 1.00 1.15 C ATOM 13 O SER A 20 -4.431 -14.767 -9.029 1.00 1.57 O ATOM 14 CB SER A 20 -2.070 -13.200 -10.738 1.00 1.94 C ATOM 15 OG SER A 20 -1.393 -12.464 -9.735 1.00 2.43 O ATOM 0 H SER A 20 -4.085 -15.434 -11.174 1.00 2.00 H new ATOM 0 HA SER A 20 -1.443 -15.135 -10.049 1.00 1.53 H new ATOM 0 HB2 SER A 20 -1.459 -13.239 -11.640 1.00 1.94 H new ATOM 0 HB3 SER A 20 -2.997 -12.692 -11.003 1.00 1.94 H new ATOM 0 HG SER A 20 -0.430 -12.632 -9.800 1.00 2.43 H new ATOM 21 N SER A 21 -2.561 -14.328 -7.861 1.00 0.84 N ATOM 22 CA SER A 21 -3.258 -14.263 -6.582 1.00 0.85 C ATOM 23 C SER A 21 -2.462 -13.469 -5.553 1.00 0.68 C ATOM 24 O SER A 21 -1.232 -13.515 -5.526 1.00 0.67 O ATOM 25 CB SER A 21 -3.529 -15.671 -6.052 1.00 1.25 C ATOM 26 OG SER A 21 -4.303 -15.629 -4.866 1.00 1.84 O ATOM 0 H SER A 21 -1.555 -14.169 -7.805 1.00 0.84 H new ATOM 0 HA SER A 21 -4.206 -13.751 -6.749 1.00 0.85 H new ATOM 0 HB2 SER A 21 -4.051 -16.254 -6.810 1.00 1.25 H new ATOM 0 HB3 SER A 21 -2.584 -16.177 -5.856 1.00 1.25 H new ATOM 0 HG SER A 21 -4.464 -16.542 -4.548 1.00 1.84 H new ATOM 32 N ILE A 22 -3.184 -12.745 -4.708 1.00 0.80 N ATOM 33 CA ILE A 22 -2.577 -11.934 -3.665 1.00 0.68 C ATOM 34 C ILE A 22 -2.524 -12.679 -2.339 1.00 0.61 C ATOM 35 O ILE A 22 -3.442 -13.423 -1.996 1.00 0.68 O ATOM 36 CB ILE A 22 -3.341 -10.615 -3.441 1.00 0.79 C ATOM 37 CG1 ILE A 22 -4.859 -10.836 -3.469 1.00 1.65 C ATOM 38 CG2 ILE A 22 -2.926 -9.572 -4.466 1.00 1.49 C ATOM 39 CD1 ILE A 22 -5.457 -11.116 -2.107 1.00 2.15 C ATOM 0 H ILE A 22 -4.203 -12.704 -4.727 1.00 0.80 H new ATOM 0 HA ILE A 22 -1.566 -11.714 -4.009 1.00 0.68 H new ATOM 0 HB ILE A 22 -3.080 -10.244 -2.450 1.00 0.79 H new ATOM 0 HG12 ILE A 22 -5.338 -9.953 -3.892 1.00 1.65 H new ATOM 0 HG13 ILE A 22 -5.084 -11.670 -4.134 1.00 1.65 H new ATOM 0 HG21 ILE A 22 -3.478 -8.649 -4.289 1.00 1.49 H new ATOM 0 HG22 ILE A 22 -1.857 -9.379 -4.376 1.00 1.49 H new ATOM 0 HG23 ILE A 22 -3.145 -9.940 -5.468 1.00 1.49 H new ATOM 0 HD11 ILE A 22 -6.533 -11.262 -2.205 1.00 2.15 H new ATOM 0 HD12 ILE A 22 -5.006 -12.016 -1.689 1.00 2.15 H new ATOM 0 HD13 ILE A 22 -5.264 -10.272 -1.444 1.00 2.15 H new ATOM 51 N THR A 23 -1.455 -12.458 -1.585 1.00 0.54 N ATOM 52 CA THR A 23 -1.306 -13.097 -0.280 1.00 0.56 C ATOM 53 C THR A 23 -1.887 -12.217 0.807 1.00 0.53 C ATOM 54 O THR A 23 -2.008 -11.008 0.643 1.00 0.56 O ATOM 55 CB THR A 23 0.160 -13.399 0.013 1.00 0.62 C ATOM 56 OG1 THR A 23 0.992 -12.393 -0.521 1.00 1.10 O ATOM 57 CG2 THR A 23 0.625 -14.729 -0.540 1.00 1.12 C ATOM 0 H THR A 23 -0.683 -11.846 -1.850 1.00 0.54 H new ATOM 0 HA THR A 23 -1.852 -14.040 -0.299 1.00 0.56 H new ATOM 0 HB THR A 23 0.234 -13.437 1.100 1.00 0.62 H new ATOM 0 HG1 THR A 23 1.239 -11.763 0.188 1.00 1.10 H new ATOM 0 HG21 THR A 23 1.676 -14.878 -0.294 1.00 1.12 H new ATOM 0 HG22 THR A 23 0.033 -15.532 -0.102 1.00 1.12 H new ATOM 0 HG23 THR A 23 0.501 -14.736 -1.623 1.00 1.12 H new ATOM 65 N THR A 24 -2.282 -12.844 1.905 1.00 0.52 N ATOM 66 CA THR A 24 -2.896 -12.135 3.013 1.00 0.53 C ATOM 67 C THR A 24 -3.843 -11.056 2.519 1.00 0.50 C ATOM 68 O THR A 24 -3.481 -9.886 2.398 1.00 0.52 O ATOM 69 CB THR A 24 -1.900 -11.548 3.973 1.00 0.59 C ATOM 70 OG1 THR A 24 -0.709 -12.314 4.023 1.00 0.65 O ATOM 71 CG2 THR A 24 -2.488 -11.477 5.360 1.00 0.61 C ATOM 0 H THR A 24 -2.186 -13.849 2.051 1.00 0.52 H new ATOM 0 HA THR A 24 -3.462 -12.886 3.564 1.00 0.53 H new ATOM 0 HB THR A 24 -1.660 -10.547 3.615 1.00 0.59 H new ATOM 0 HG1 THR A 24 -0.083 -11.904 4.655 1.00 0.65 H new ATOM 0 HG21 THR A 24 -1.755 -11.050 6.044 1.00 0.61 H new ATOM 0 HG22 THR A 24 -3.380 -10.850 5.346 1.00 0.61 H new ATOM 0 HG23 THR A 24 -2.755 -12.480 5.694 1.00 0.61 H new ATOM 79 N PRO A 25 -5.065 -11.470 2.209 1.00 0.49 N ATOM 80 CA PRO A 25 -6.112 -10.593 1.691 1.00 0.49 C ATOM 81 C PRO A 25 -6.782 -9.744 2.768 1.00 0.52 C ATOM 82 O PRO A 25 -7.551 -8.833 2.461 1.00 0.88 O ATOM 83 CB PRO A 25 -7.103 -11.566 1.089 1.00 0.52 C ATOM 84 CG PRO A 25 -6.929 -12.834 1.863 1.00 0.52 C ATOM 85 CD PRO A 25 -5.491 -12.865 2.314 1.00 0.50 C ATOM 0 HA PRO A 25 -5.712 -9.863 0.987 1.00 0.49 H new ATOM 0 HB2 PRO A 25 -8.123 -11.191 1.172 1.00 0.52 H new ATOM 0 HB3 PRO A 25 -6.906 -11.722 0.028 1.00 0.52 H new ATOM 0 HG2 PRO A 25 -7.605 -12.863 2.718 1.00 0.52 H new ATOM 0 HG3 PRO A 25 -7.161 -13.701 1.245 1.00 0.52 H new ATOM 0 HD2 PRO A 25 -5.399 -13.236 3.335 1.00 0.50 H new ATOM 0 HD3 PRO A 25 -4.887 -13.517 1.683 1.00 0.50 H new ATOM 93 N GLU A 26 -6.461 -10.021 4.021 1.00 0.35 N ATOM 94 CA GLU A 26 -7.000 -9.257 5.143 1.00 0.34 C ATOM 95 C GLU A 26 -5.905 -9.071 6.184 1.00 0.33 C ATOM 96 O GLU A 26 -5.312 -10.046 6.646 1.00 0.37 O ATOM 97 CB GLU A 26 -8.212 -9.963 5.753 1.00 0.38 C ATOM 98 CG GLU A 26 -9.438 -9.949 4.855 1.00 1.33 C ATOM 99 CD GLU A 26 -10.628 -10.654 5.479 1.00 1.57 C ATOM 100 OE1 GLU A 26 -10.447 -11.316 6.522 1.00 2.06 O ATOM 101 OE2 GLU A 26 -11.740 -10.544 4.922 1.00 2.05 O ATOM 0 H GLU A 26 -5.827 -10.773 4.292 1.00 0.35 H new ATOM 0 HA GLU A 26 -7.334 -8.282 4.788 1.00 0.34 H new ATOM 0 HB2 GLU A 26 -7.946 -10.996 5.976 1.00 0.38 H new ATOM 0 HB3 GLU A 26 -8.461 -9.487 6.701 1.00 0.38 H new ATOM 0 HG2 GLU A 26 -9.708 -8.917 4.632 1.00 1.33 H new ATOM 0 HG3 GLU A 26 -9.194 -10.427 3.906 1.00 1.33 H new ATOM 108 N GLU A 27 -5.581 -7.820 6.501 1.00 0.29 N ATOM 109 CA GLU A 27 -4.488 -7.551 7.425 1.00 0.28 C ATOM 110 C GLU A 27 -4.703 -6.343 8.343 1.00 0.25 C ATOM 111 O GLU A 27 -5.495 -5.446 8.055 1.00 0.25 O ATOM 112 CB GLU A 27 -3.231 -7.348 6.604 1.00 0.28 C ATOM 113 CG GLU A 27 -2.061 -8.205 7.056 1.00 0.40 C ATOM 114 CD GLU A 27 -0.885 -8.135 6.105 1.00 0.91 C ATOM 115 OE1 GLU A 27 -1.113 -8.131 4.876 1.00 1.71 O ATOM 116 OE2 GLU A 27 0.266 -8.086 6.587 1.00 1.66 O ATOM 0 H GLU A 27 -6.052 -6.991 6.138 1.00 0.29 H new ATOM 0 HA GLU A 27 -4.417 -8.408 8.095 1.00 0.28 H new ATOM 0 HB2 GLU A 27 -3.450 -7.570 5.560 1.00 0.28 H new ATOM 0 HB3 GLU A 27 -2.941 -6.298 6.653 1.00 0.28 H new ATOM 0 HG2 GLU A 27 -1.741 -7.883 8.047 1.00 0.40 H new ATOM 0 HG3 GLU A 27 -2.388 -9.241 7.147 1.00 0.40 H new ATOM 123 N MET A 28 -3.933 -6.331 9.436 1.00 0.25 N ATOM 124 CA MET A 28 -3.944 -5.247 10.418 1.00 0.24 C ATOM 125 C MET A 28 -2.514 -4.958 10.881 1.00 0.25 C ATOM 126 O MET A 28 -1.832 -5.847 11.391 1.00 0.32 O ATOM 127 CB MET A 28 -4.817 -5.609 11.618 1.00 0.28 C ATOM 128 CG MET A 28 -6.294 -5.323 11.411 1.00 0.99 C ATOM 129 SD MET A 28 -7.322 -5.979 12.739 1.00 0.99 S ATOM 130 CE MET A 28 -7.277 -7.731 12.368 1.00 1.86 C ATOM 0 H MET A 28 -3.280 -7.081 9.664 1.00 0.25 H new ATOM 0 HA MET A 28 -4.362 -4.357 9.948 1.00 0.24 H new ATOM 0 HB2 MET A 28 -4.690 -6.668 11.842 1.00 0.28 H new ATOM 0 HB3 MET A 28 -4.468 -5.055 12.489 1.00 0.28 H new ATOM 0 HG2 MET A 28 -6.445 -4.246 11.339 1.00 0.99 H new ATOM 0 HG3 MET A 28 -6.614 -5.754 10.462 1.00 0.99 H new ATOM 0 HE1 MET A 28 -8.076 -8.238 12.909 1.00 1.86 H new ATOM 0 HE2 MET A 28 -7.413 -7.880 11.297 1.00 1.86 H new ATOM 0 HE3 MET A 28 -6.315 -8.143 12.672 1.00 1.86 H new ATOM 140 N ILE A 29 -2.056 -3.722 10.691 1.00 0.22 N ATOM 141 CA ILE A 29 -0.698 -3.342 11.081 1.00 0.24 C ATOM 142 C ILE A 29 -0.702 -2.211 12.111 1.00 0.20 C ATOM 143 O ILE A 29 -1.298 -1.158 11.887 1.00 0.20 O ATOM 144 CB ILE A 29 0.126 -2.899 9.850 1.00 0.30 C ATOM 145 CG1 ILE A 29 0.178 -4.023 8.811 1.00 0.36 C ATOM 146 CG2 ILE A 29 1.537 -2.489 10.259 1.00 0.35 C ATOM 147 CD1 ILE A 29 0.810 -5.299 9.324 1.00 0.39 C ATOM 0 H ILE A 29 -2.602 -2.969 10.271 1.00 0.22 H new ATOM 0 HA ILE A 29 -0.240 -4.224 11.529 1.00 0.24 H new ATOM 0 HB ILE A 29 -0.365 -2.033 9.405 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -0.835 -4.240 8.473 1.00 0.36 H new ATOM 0 HG13 ILE A 29 0.736 -3.676 7.941 1.00 0.36 H new ATOM 0 HG21 ILE A 29 2.097 -2.182 9.376 1.00 0.35 H new ATOM 0 HG22 ILE A 29 1.485 -1.658 10.963 1.00 0.35 H new ATOM 0 HG23 ILE A 29 2.039 -3.334 10.731 1.00 0.35 H new ATOM 0 HD11 ILE A 29 0.811 -6.048 8.532 1.00 0.39 H new ATOM 0 HD12 ILE A 29 1.835 -5.098 9.635 1.00 0.39 H new ATOM 0 HD13 ILE A 29 0.239 -5.671 10.175 1.00 0.39 H new ATOM 159 N GLU A 30 -0.017 -2.430 13.234 1.00 0.21 N ATOM 160 CA GLU A 30 0.071 -1.420 14.288 1.00 0.20 C ATOM 161 C GLU A 30 1.519 -0.963 14.466 1.00 0.23 C ATOM 162 O GLU A 30 2.409 -1.787 14.678 1.00 0.28 O ATOM 163 CB GLU A 30 -0.454 -1.980 15.612 1.00 0.25 C ATOM 164 CG GLU A 30 -1.853 -2.570 15.519 1.00 0.28 C ATOM 165 CD GLU A 30 -2.345 -3.117 16.845 1.00 0.34 C ATOM 166 OE1 GLU A 30 -1.533 -3.211 17.789 1.00 1.08 O ATOM 167 OE2 GLU A 30 -3.545 -3.452 16.939 1.00 1.19 O ATOM 0 H GLU A 30 0.484 -3.295 13.436 1.00 0.21 H new ATOM 0 HA GLU A 30 -0.541 -0.567 13.994 1.00 0.20 H new ATOM 0 HB2 GLU A 30 0.231 -2.749 15.967 1.00 0.25 H new ATOM 0 HB3 GLU A 30 -0.454 -1.185 16.357 1.00 0.25 H new ATOM 0 HG2 GLU A 30 -2.544 -1.804 15.168 1.00 0.28 H new ATOM 0 HG3 GLU A 30 -1.858 -3.368 14.777 1.00 0.28 H new ATOM 174 N LYS A 31 1.758 0.345 14.382 1.00 0.22 N ATOM 175 CA LYS A 31 3.108 0.875 14.539 1.00 0.26 C ATOM 176 C LYS A 31 3.105 2.195 15.303 1.00 0.26 C ATOM 177 O LYS A 31 2.097 2.896 15.343 1.00 0.25 O ATOM 178 CB LYS A 31 3.771 1.045 13.175 1.00 0.28 C ATOM 179 CG LYS A 31 3.919 -0.262 12.415 1.00 1.11 C ATOM 180 CD LYS A 31 4.947 -1.173 13.069 1.00 1.10 C ATOM 181 CE LYS A 31 5.107 -2.475 12.300 1.00 2.10 C ATOM 182 NZ LYS A 31 4.183 -3.533 12.795 1.00 2.52 N ATOM 0 H LYS A 31 1.041 1.050 14.208 1.00 0.22 H new ATOM 0 HA LYS A 31 3.684 0.158 15.124 1.00 0.26 H new ATOM 0 HB2 LYS A 31 3.183 1.741 12.577 1.00 0.28 H new ATOM 0 HB3 LYS A 31 4.755 1.493 13.310 1.00 0.28 H new ATOM 0 HG2 LYS A 31 2.956 -0.770 12.372 1.00 1.11 H new ATOM 0 HG3 LYS A 31 4.216 -0.055 11.387 1.00 1.11 H new ATOM 0 HD2 LYS A 31 5.907 -0.660 13.122 1.00 1.10 H new ATOM 0 HD3 LYS A 31 4.644 -1.389 14.093 1.00 1.10 H new ATOM 0 HE2 LYS A 31 4.919 -2.296 11.241 1.00 2.10 H new ATOM 0 HE3 LYS A 31 6.136 -2.823 12.387 1.00 2.10 H new ATOM 0 HZ1 LYS A 31 4.730 -4.270 13.285 1.00 2.52 H new ATOM 0 HZ2 LYS A 31 3.498 -3.114 13.455 1.00 2.52 H new ATOM 0 HZ3 LYS A 31 3.676 -3.955 11.991 1.00 2.52 H new ATOM 196 N ALA A 32 4.241 2.522 15.912 1.00 0.29 N ATOM 197 CA ALA A 32 4.371 3.753 16.684 1.00 0.32 C ATOM 198 C ALA A 32 4.535 4.978 15.791 1.00 0.29 C ATOM 199 O ALA A 32 5.274 4.952 14.809 1.00 0.28 O ATOM 200 CB ALA A 32 5.542 3.643 17.651 1.00 0.39 C ATOM 0 H ALA A 32 5.086 1.951 15.886 1.00 0.29 H new ATOM 0 HA ALA A 32 3.447 3.885 17.247 1.00 0.32 H new ATOM 0 HB1 ALA A 32 5.630 4.567 18.222 1.00 0.39 H new ATOM 0 HB2 ALA A 32 5.374 2.809 18.333 1.00 0.39 H new ATOM 0 HB3 ALA A 32 6.462 3.474 17.091 1.00 0.39 H new ATOM 206 N LYS A 33 3.845 6.058 16.154 1.00 0.30 N ATOM 207 CA LYS A 33 3.915 7.312 15.403 1.00 0.31 C ATOM 208 C LYS A 33 5.356 7.676 15.043 1.00 0.30 C ATOM 209 O LYS A 33 6.278 7.476 15.834 1.00 0.38 O ATOM 210 CB LYS A 33 3.307 8.438 16.231 1.00 0.37 C ATOM 211 CG LYS A 33 3.371 9.801 15.565 1.00 0.97 C ATOM 212 CD LYS A 33 3.466 10.912 16.596 1.00 1.12 C ATOM 213 CE LYS A 33 4.893 11.409 16.753 1.00 1.91 C ATOM 214 NZ LYS A 33 4.965 12.630 17.603 1.00 2.35 N ATOM 0 H LYS A 33 3.229 6.090 16.966 1.00 0.30 H new ATOM 0 HA LYS A 33 3.356 7.177 14.477 1.00 0.31 H new ATOM 0 HB2 LYS A 33 2.265 8.197 16.442 1.00 0.37 H new ATOM 0 HB3 LYS A 33 3.823 8.489 17.190 1.00 0.37 H new ATOM 0 HG2 LYS A 33 4.234 9.844 14.900 1.00 0.97 H new ATOM 0 HG3 LYS A 33 2.485 9.949 14.948 1.00 0.97 H new ATOM 0 HD2 LYS A 33 2.822 11.740 16.300 1.00 1.12 H new ATOM 0 HD3 LYS A 33 3.098 10.550 17.556 1.00 1.12 H new ATOM 0 HE2 LYS A 33 5.505 10.622 17.195 1.00 1.91 H new ATOM 0 HE3 LYS A 33 5.312 11.625 15.770 1.00 1.91 H new ATOM 0 HZ1 LYS A 33 5.892 12.671 18.073 1.00 2.35 H new ATOM 0 HZ2 LYS A 33 4.840 13.474 17.009 1.00 2.35 H new ATOM 0 HZ3 LYS A 33 4.214 12.598 18.321 1.00 2.35 H new ATOM 228 N GLY A 34 5.535 8.223 13.844 1.00 0.28 N ATOM 229 CA GLY A 34 6.855 8.625 13.385 1.00 0.30 C ATOM 230 C GLY A 34 7.651 7.479 12.798 1.00 0.29 C ATOM 231 O GLY A 34 8.507 7.686 11.937 1.00 0.31 O ATOM 0 H GLY A 34 4.783 8.396 13.177 1.00 0.28 H new ATOM 0 HA2 GLY A 34 6.750 9.409 12.635 1.00 0.30 H new ATOM 0 HA3 GLY A 34 7.409 9.055 14.220 1.00 0.30 H new ATOM 235 N GLU A 35 7.355 6.267 13.244 1.00 0.30 N ATOM 236 CA GLU A 35 8.030 5.085 12.739 1.00 0.31 C ATOM 237 C GLU A 35 7.412 4.697 11.410 1.00 0.27 C ATOM 238 O GLU A 35 6.291 5.102 11.107 1.00 0.24 O ATOM 239 CB GLU A 35 7.921 3.926 13.733 1.00 0.36 C ATOM 240 CG GLU A 35 8.699 4.153 15.019 1.00 0.43 C ATOM 241 CD GLU A 35 8.577 2.992 15.988 1.00 1.30 C ATOM 242 OE1 GLU A 35 7.739 2.099 15.743 1.00 2.11 O ATOM 243 OE2 GLU A 35 9.319 2.978 16.992 1.00 2.00 O ATOM 0 H GLU A 35 6.650 6.078 13.956 1.00 0.30 H new ATOM 0 HA GLU A 35 9.088 5.308 12.604 1.00 0.31 H new ATOM 0 HB2 GLU A 35 6.871 3.765 13.977 1.00 0.36 H new ATOM 0 HB3 GLU A 35 8.281 3.014 13.256 1.00 0.36 H new ATOM 0 HG2 GLU A 35 9.750 4.313 14.780 1.00 0.43 H new ATOM 0 HG3 GLU A 35 8.340 5.063 15.501 1.00 0.43 H new ATOM 250 N THR A 36 8.125 3.922 10.612 1.00 0.29 N ATOM 251 CA THR A 36 7.591 3.518 9.327 1.00 0.26 C ATOM 252 C THR A 36 6.720 2.273 9.471 1.00 0.25 C ATOM 253 O THR A 36 7.136 1.282 10.071 1.00 0.27 O ATOM 254 CB THR A 36 8.708 3.253 8.321 1.00 0.29 C ATOM 255 OG1 THR A 36 9.498 4.413 8.129 1.00 0.33 O ATOM 256 CG2 THR A 36 8.185 2.819 6.967 1.00 0.28 C ATOM 0 H THR A 36 9.057 3.566 10.826 1.00 0.29 H new ATOM 0 HA THR A 36 6.979 4.339 8.955 1.00 0.26 H new ATOM 0 HB THR A 36 9.303 2.444 8.745 1.00 0.29 H new ATOM 0 HG1 THR A 36 10.209 4.221 7.482 1.00 0.33 H new ATOM 0 HG21 THR A 36 9.023 2.645 6.292 1.00 0.28 H new ATOM 0 HG22 THR A 36 7.610 1.900 7.077 1.00 0.28 H new ATOM 0 HG23 THR A 36 7.545 3.600 6.557 1.00 0.28 H new ATOM 264 N ALA A 37 5.514 2.323 8.910 1.00 0.24 N ATOM 265 CA ALA A 37 4.602 1.188 8.977 1.00 0.24 C ATOM 266 C ALA A 37 4.690 0.363 7.701 1.00 0.23 C ATOM 267 O ALA A 37 4.407 0.849 6.611 1.00 0.22 O ATOM 268 CB ALA A 37 3.175 1.658 9.219 1.00 0.26 C ATOM 0 H ALA A 37 5.149 3.132 8.408 1.00 0.24 H new ATOM 0 HA ALA A 37 4.896 0.557 9.816 1.00 0.24 H new ATOM 0 HB1 ALA A 37 2.511 0.795 9.266 1.00 0.26 H new ATOM 0 HB2 ALA A 37 3.127 2.204 10.161 1.00 0.26 H new ATOM 0 HB3 ALA A 37 2.864 2.312 8.404 1.00 0.26 H new ATOM 274 N TYR A 38 5.113 -0.882 7.847 1.00 0.25 N ATOM 275 CA TYR A 38 5.279 -1.775 6.709 1.00 0.26 C ATOM 276 C TYR A 38 3.957 -2.371 6.226 1.00 0.25 C ATOM 277 O TYR A 38 3.281 -3.090 6.961 1.00 0.29 O ATOM 278 CB TYR A 38 6.253 -2.891 7.088 1.00 0.29 C ATOM 279 CG TYR A 38 6.501 -3.892 5.986 1.00 0.40 C ATOM 280 CD1 TYR A 38 7.385 -3.612 4.956 1.00 1.34 C ATOM 281 CD2 TYR A 38 5.859 -5.123 5.985 1.00 1.19 C ATOM 282 CE1 TYR A 38 7.621 -4.528 3.952 1.00 1.43 C ATOM 283 CE2 TYR A 38 6.091 -6.046 4.984 1.00 1.25 C ATOM 284 CZ TYR A 38 6.973 -5.743 3.970 1.00 0.74 C ATOM 285 OH TYR A 38 7.206 -6.658 2.969 1.00 0.92 O ATOM 0 H TYR A 38 5.349 -1.300 8.747 1.00 0.25 H new ATOM 0 HA TYR A 38 5.676 -1.187 5.881 1.00 0.26 H new ATOM 0 HB2 TYR A 38 7.204 -2.445 7.380 1.00 0.29 H new ATOM 0 HB3 TYR A 38 5.865 -3.416 7.961 1.00 0.29 H new ATOM 0 HD1 TYR A 38 7.897 -2.661 4.939 1.00 1.34 H new ATOM 0 HD2 TYR A 38 5.167 -5.363 6.779 1.00 1.19 H new ATOM 0 HE1 TYR A 38 8.311 -4.293 3.155 1.00 1.43 H new ATOM 0 HE2 TYR A 38 5.584 -7.000 4.996 1.00 1.25 H new ATOM 0 HH TYR A 38 6.671 -7.463 3.131 1.00 0.92 H new ATOM 295 N LEU A 39 3.621 -2.096 4.964 1.00 0.24 N ATOM 296 CA LEU A 39 2.411 -2.634 4.353 1.00 0.24 C ATOM 297 C LEU A 39 2.812 -3.720 3.356 1.00 0.23 C ATOM 298 O LEU A 39 3.354 -3.422 2.292 1.00 0.21 O ATOM 299 CB LEU A 39 1.618 -1.528 3.650 1.00 0.24 C ATOM 300 CG LEU A 39 1.534 -0.203 4.415 1.00 0.28 C ATOM 301 CD1 LEU A 39 0.633 0.780 3.683 1.00 0.80 C ATOM 302 CD2 LEU A 39 1.033 -0.432 5.835 1.00 0.80 C ATOM 0 H LEU A 39 4.174 -1.502 4.346 1.00 0.24 H new ATOM 0 HA LEU A 39 1.770 -3.058 5.126 1.00 0.24 H new ATOM 0 HB2 LEU A 39 2.071 -1.340 2.677 1.00 0.24 H new ATOM 0 HB3 LEU A 39 0.606 -1.889 3.466 1.00 0.24 H new ATOM 0 HG LEU A 39 2.536 0.223 4.471 1.00 0.28 H new ATOM 0 HD11 LEU A 39 0.585 1.715 4.241 1.00 0.80 H new ATOM 0 HD12 LEU A 39 1.035 0.971 2.688 1.00 0.80 H new ATOM 0 HD13 LEU A 39 -0.369 0.359 3.594 1.00 0.80 H new ATOM 0 HD21 LEU A 39 0.981 0.521 6.361 1.00 0.80 H new ATOM 0 HD22 LEU A 39 0.041 -0.883 5.803 1.00 0.80 H new ATOM 0 HD23 LEU A 39 1.718 -1.098 6.359 1.00 0.80 H new ATOM 314 N PRO A 40 2.598 -4.999 3.705 1.00 0.25 N ATOM 315 CA PRO A 40 2.992 -6.122 2.853 1.00 0.24 C ATOM 316 C PRO A 40 2.004 -6.472 1.750 1.00 0.27 C ATOM 317 O PRO A 40 0.819 -6.693 1.999 1.00 0.31 O ATOM 318 CB PRO A 40 3.084 -7.277 3.842 1.00 0.26 C ATOM 319 CG PRO A 40 2.063 -6.961 4.880 1.00 0.42 C ATOM 320 CD PRO A 40 2.007 -5.457 4.978 1.00 0.27 C ATOM 0 HA PRO A 40 3.908 -5.886 2.312 1.00 0.24 H new ATOM 0 HB2 PRO A 40 2.876 -8.231 3.358 1.00 0.26 H new ATOM 0 HB3 PRO A 40 4.081 -7.350 4.275 1.00 0.26 H new ATOM 0 HG2 PRO A 40 1.090 -7.369 4.605 1.00 0.42 H new ATOM 0 HG3 PRO A 40 2.334 -7.403 5.839 1.00 0.42 H new ATOM 0 HD2 PRO A 40 0.983 -5.102 5.095 1.00 0.27 H new ATOM 0 HD3 PRO A 40 2.571 -5.091 5.836 1.00 0.27 H new ATOM 328 N CYS A 41 2.529 -6.567 0.535 1.00 0.26 N ATOM 329 CA CYS A 41 1.739 -6.947 -0.622 1.00 0.30 C ATOM 330 C CYS A 41 2.561 -7.847 -1.528 1.00 0.28 C ATOM 331 O CYS A 41 3.696 -7.524 -1.880 1.00 0.35 O ATOM 332 CB CYS A 41 1.256 -5.726 -1.396 1.00 0.35 C ATOM 333 SG CYS A 41 -0.099 -6.057 -2.573 1.00 1.03 S ATOM 0 H CYS A 41 3.511 -6.383 0.328 1.00 0.26 H new ATOM 0 HA CYS A 41 0.859 -7.485 -0.270 1.00 0.30 H new ATOM 0 HB2 CYS A 41 0.925 -4.969 -0.685 1.00 0.35 H new ATOM 0 HB3 CYS A 41 2.099 -5.302 -1.943 1.00 0.35 H new ATOM 338 N LYS A 42 1.983 -8.968 -1.905 1.00 0.29 N ATOM 339 CA LYS A 42 2.655 -9.916 -2.776 1.00 0.28 C ATOM 340 C LYS A 42 1.671 -10.487 -3.778 1.00 0.32 C ATOM 341 O LYS A 42 0.469 -10.576 -3.509 1.00 0.59 O ATOM 342 CB LYS A 42 3.304 -11.040 -1.969 1.00 0.30 C ATOM 343 CG LYS A 42 4.506 -10.593 -1.154 1.00 0.46 C ATOM 344 CD LYS A 42 4.142 -10.376 0.307 1.00 0.46 C ATOM 345 CE LYS A 42 5.147 -11.040 1.236 1.00 1.21 C ATOM 346 NZ LYS A 42 6.538 -10.574 0.978 1.00 1.66 N ATOM 0 H LYS A 42 1.044 -9.248 -1.621 1.00 0.29 H new ATOM 0 HA LYS A 42 3.444 -9.389 -3.312 1.00 0.28 H new ATOM 0 HB2 LYS A 42 2.560 -11.469 -1.297 1.00 0.30 H new ATOM 0 HB3 LYS A 42 3.613 -11.833 -2.650 1.00 0.30 H new ATOM 0 HG2 LYS A 42 5.294 -11.342 -1.226 1.00 0.46 H new ATOM 0 HG3 LYS A 42 4.906 -9.669 -1.571 1.00 0.46 H new ATOM 0 HD2 LYS A 42 4.101 -9.307 0.518 1.00 0.46 H new ATOM 0 HD3 LYS A 42 3.147 -10.778 0.499 1.00 0.46 H new ATOM 0 HE2 LYS A 42 4.880 -10.827 2.271 1.00 1.21 H new ATOM 0 HE3 LYS A 42 5.098 -12.122 1.110 1.00 1.21 H new ATOM 0 HZ1 LYS A 42 7.125 -10.753 1.818 1.00 1.66 H new ATOM 0 HZ2 LYS A 42 6.931 -11.089 0.164 1.00 1.66 H new ATOM 0 HZ3 LYS A 42 6.530 -9.555 0.772 1.00 1.66 H new ATOM 360 N PHE A 43 2.188 -10.851 -4.941 1.00 0.37 N ATOM 361 CA PHE A 43 1.362 -11.380 -6.008 1.00 0.39 C ATOM 362 C PHE A 43 2.062 -12.532 -6.722 1.00 0.34 C ATOM 363 O PHE A 43 3.290 -12.613 -6.741 1.00 0.34 O ATOM 364 CB PHE A 43 1.054 -10.254 -6.997 1.00 0.43 C ATOM 365 CG PHE A 43 2.292 -9.614 -7.567 1.00 0.40 C ATOM 366 CD1 PHE A 43 2.862 -10.113 -8.727 1.00 1.23 C ATOM 367 CD2 PHE A 43 2.892 -8.518 -6.946 1.00 1.25 C ATOM 368 CE1 PHE A 43 4.000 -9.540 -9.260 1.00 1.23 C ATOM 369 CE2 PHE A 43 4.030 -7.945 -7.478 1.00 1.26 C ATOM 370 CZ PHE A 43 4.584 -8.457 -8.635 1.00 0.43 C ATOM 0 H PHE A 43 3.180 -10.788 -5.168 1.00 0.37 H new ATOM 0 HA PHE A 43 0.435 -11.767 -5.584 1.00 0.39 H new ATOM 0 HB2 PHE A 43 0.449 -10.650 -7.812 1.00 0.43 H new ATOM 0 HB3 PHE A 43 0.456 -9.492 -6.497 1.00 0.43 H new ATOM 0 HD1 PHE A 43 2.411 -10.961 -9.221 1.00 1.23 H new ATOM 0 HD2 PHE A 43 2.462 -8.114 -6.041 1.00 1.25 H new ATOM 0 HE1 PHE A 43 4.433 -9.939 -10.165 1.00 1.23 H new ATOM 0 HE2 PHE A 43 4.487 -7.097 -6.990 1.00 1.26 H new ATOM 0 HZ PHE A 43 5.475 -8.010 -9.051 1.00 0.43 H new ATOM 380 N THR A 44 1.267 -13.426 -7.299 1.00 0.37 N ATOM 381 CA THR A 44 1.799 -14.585 -8.006 1.00 0.39 C ATOM 382 C THR A 44 2.266 -14.205 -9.407 1.00 0.46 C ATOM 383 O THR A 44 1.904 -13.151 -9.929 1.00 0.68 O ATOM 384 CB THR A 44 0.744 -15.688 -8.086 1.00 0.51 C ATOM 385 OG1 THR A 44 0.175 -15.932 -6.811 1.00 1.30 O ATOM 386 CG2 THR A 44 1.288 -17.001 -8.604 1.00 1.33 C ATOM 0 H THR A 44 0.249 -13.370 -7.291 1.00 0.37 H new ATOM 0 HA THR A 44 2.659 -14.955 -7.448 1.00 0.39 H new ATOM 0 HB THR A 44 -0.004 -15.321 -8.789 1.00 0.51 H new ATOM 0 HG1 THR A 44 -0.368 -15.162 -6.542 1.00 1.30 H new ATOM 0 HG21 THR A 44 0.487 -17.740 -8.635 1.00 1.33 H new ATOM 0 HG22 THR A 44 1.689 -16.858 -9.607 1.00 1.33 H new ATOM 0 HG23 THR A 44 2.080 -17.353 -7.943 1.00 1.33 H new ATOM 394 N LEU A 45 3.078 -15.070 -10.006 1.00 0.59 N ATOM 395 CA LEU A 45 3.604 -14.824 -11.343 1.00 0.77 C ATOM 396 C LEU A 45 3.613 -16.107 -12.168 1.00 0.76 C ATOM 397 O LEU A 45 4.095 -17.146 -11.717 1.00 0.85 O ATOM 398 CB LEU A 45 5.019 -14.247 -11.254 1.00 1.07 C ATOM 399 CG LEU A 45 5.684 -13.944 -12.599 1.00 1.55 C ATOM 400 CD1 LEU A 45 4.986 -12.781 -13.291 1.00 2.09 C ATOM 401 CD2 LEU A 45 7.163 -13.645 -12.404 1.00 2.12 C ATOM 0 H LEU A 45 3.386 -15.947 -9.586 1.00 0.59 H new ATOM 0 HA LEU A 45 2.955 -14.102 -11.838 1.00 0.77 H new ATOM 0 HB2 LEU A 45 4.983 -13.328 -10.669 1.00 1.07 H new ATOM 0 HB3 LEU A 45 5.647 -14.950 -10.706 1.00 1.07 H new ATOM 0 HG LEU A 45 5.593 -14.824 -13.236 1.00 1.55 H new ATOM 0 HD11 LEU A 45 5.473 -12.580 -14.245 1.00 2.09 H new ATOM 0 HD12 LEU A 45 3.940 -13.035 -13.463 1.00 2.09 H new ATOM 0 HD13 LEU A 45 5.045 -11.894 -12.660 1.00 2.09 H new ATOM 0 HD21 LEU A 45 7.621 -13.432 -13.370 1.00 2.12 H new ATOM 0 HD22 LEU A 45 7.276 -12.781 -11.750 1.00 2.12 H new ATOM 0 HD23 LEU A 45 7.652 -14.508 -11.953 1.00 2.12 H new ATOM 413 N SER A 46 3.072 -16.023 -13.379 1.00 0.97 N ATOM 414 CA SER A 46 3.006 -17.168 -14.276 1.00 1.09 C ATOM 415 C SER A 46 2.810 -16.705 -15.719 1.00 0.93 C ATOM 416 O SER A 46 2.339 -15.593 -15.963 1.00 0.74 O ATOM 417 CB SER A 46 1.866 -18.102 -13.862 1.00 1.24 C ATOM 418 OG SER A 46 2.355 -19.394 -13.545 1.00 1.75 O ATOM 0 H SER A 46 2.671 -15.167 -13.762 1.00 0.97 H new ATOM 0 HA SER A 46 3.948 -17.713 -14.210 1.00 1.09 H new ATOM 0 HB2 SER A 46 1.345 -17.685 -13.000 1.00 1.24 H new ATOM 0 HB3 SER A 46 1.138 -18.173 -14.670 1.00 1.24 H new ATOM 0 HG SER A 46 1.608 -19.971 -13.282 1.00 1.75 H new ATOM 424 N PRO A 47 3.172 -17.551 -16.696 1.00 1.10 N ATOM 425 CA PRO A 47 3.039 -17.221 -18.118 1.00 1.09 C ATOM 426 C PRO A 47 1.620 -16.811 -18.502 1.00 0.86 C ATOM 427 O PRO A 47 1.415 -16.150 -19.520 1.00 0.84 O ATOM 428 CB PRO A 47 3.433 -18.519 -18.840 1.00 1.35 C ATOM 429 CG PRO A 47 3.415 -19.580 -17.791 1.00 1.61 C ATOM 430 CD PRO A 47 3.742 -18.891 -16.500 1.00 1.38 C ATOM 0 HA PRO A 47 3.661 -16.366 -18.383 1.00 1.09 H new ATOM 0 HB2 PRO A 47 2.733 -18.749 -19.643 1.00 1.35 H new ATOM 0 HB3 PRO A 47 4.421 -18.432 -19.293 1.00 1.35 H new ATOM 0 HG2 PRO A 47 2.438 -20.061 -17.740 1.00 1.61 H new ATOM 0 HG3 PRO A 47 4.144 -20.360 -18.012 1.00 1.61 H new ATOM 0 HD2 PRO A 47 3.296 -19.400 -15.645 1.00 1.38 H new ATOM 0 HD3 PRO A 47 4.817 -18.852 -16.323 1.00 1.38 H new ATOM 438 N GLU A 48 0.641 -17.195 -17.687 1.00 0.80 N ATOM 439 CA GLU A 48 -0.742 -16.849 -17.964 1.00 0.71 C ATOM 440 C GLU A 48 -0.969 -15.379 -17.704 1.00 0.59 C ATOM 441 O GLU A 48 -1.569 -14.682 -18.521 1.00 0.55 O ATOM 442 CB GLU A 48 -1.693 -17.692 -17.113 1.00 0.88 C ATOM 443 CG GLU A 48 -3.163 -17.382 -17.352 1.00 1.24 C ATOM 444 CD GLU A 48 -4.086 -18.230 -16.498 1.00 1.51 C ATOM 445 OE1 GLU A 48 -3.596 -19.187 -15.862 1.00 2.18 O ATOM 446 OE2 GLU A 48 -5.300 -17.936 -16.466 1.00 1.78 O ATOM 0 H GLU A 48 0.782 -17.741 -16.837 1.00 0.80 H new ATOM 0 HA GLU A 48 -0.948 -17.059 -19.014 1.00 0.71 H new ATOM 0 HB2 GLU A 48 -1.515 -18.747 -17.321 1.00 0.88 H new ATOM 0 HB3 GLU A 48 -1.463 -17.532 -16.060 1.00 0.88 H new ATOM 0 HG2 GLU A 48 -3.347 -16.328 -17.142 1.00 1.24 H new ATOM 0 HG3 GLU A 48 -3.398 -17.543 -18.404 1.00 1.24 H new ATOM 453 N ASP A 49 -0.460 -14.900 -16.579 1.00 0.60 N ATOM 454 CA ASP A 49 -0.599 -13.495 -16.256 1.00 0.52 C ATOM 455 C ASP A 49 0.307 -12.695 -17.175 1.00 0.52 C ATOM 456 O ASP A 49 1.445 -12.382 -16.833 1.00 0.62 O ATOM 457 CB ASP A 49 -0.284 -13.204 -14.783 1.00 0.61 C ATOM 458 CG ASP A 49 0.747 -14.143 -14.194 1.00 1.62 C ATOM 459 OD1 ASP A 49 0.535 -15.372 -14.255 1.00 2.41 O ATOM 460 OD2 ASP A 49 1.768 -13.650 -13.669 1.00 2.27 O ATOM 0 H ASP A 49 0.044 -15.455 -15.887 1.00 0.60 H new ATOM 0 HA ASP A 49 -1.638 -13.202 -16.409 1.00 0.52 H new ATOM 0 HB2 ASP A 49 0.074 -12.179 -14.691 1.00 0.61 H new ATOM 0 HB3 ASP A 49 -1.203 -13.274 -14.201 1.00 0.61 H new ATOM 465 N GLN A 50 -0.193 -12.417 -18.371 1.00 0.51 N ATOM 466 CA GLN A 50 0.579 -11.705 -19.374 1.00 0.63 C ATOM 467 C GLN A 50 0.284 -10.203 -19.378 1.00 0.58 C ATOM 468 O GLN A 50 0.916 -9.449 -20.118 1.00 0.69 O ATOM 469 CB GLN A 50 0.282 -12.303 -20.750 1.00 0.79 C ATOM 470 CG GLN A 50 0.615 -13.787 -20.850 1.00 0.81 C ATOM 471 CD GLN A 50 0.313 -14.359 -22.221 1.00 1.12 C ATOM 472 OE1 GLN A 50 0.406 -13.662 -23.232 1.00 1.44 O ATOM 473 NE2 GLN A 50 -0.060 -15.632 -22.261 1.00 1.64 N ATOM 0 H GLN A 50 -1.134 -12.676 -18.669 1.00 0.51 H new ATOM 0 HA GLN A 50 1.635 -11.820 -19.131 1.00 0.63 H new ATOM 0 HB2 GLN A 50 -0.774 -12.159 -20.980 1.00 0.79 H new ATOM 0 HB3 GLN A 50 0.850 -11.759 -21.505 1.00 0.79 H new ATOM 0 HG2 GLN A 50 1.671 -13.935 -20.623 1.00 0.81 H new ATOM 0 HG3 GLN A 50 0.047 -14.335 -20.098 1.00 0.81 H new ATOM 0 HE21 GLN A 50 -0.124 -16.172 -21.398 1.00 1.64 H new ATOM 0 HE22 GLN A 50 -0.283 -16.070 -23.155 1.00 1.64 H new ATOM 482 N GLY A 51 -0.672 -9.765 -18.559 1.00 0.47 N ATOM 483 CA GLY A 51 -1.004 -8.350 -18.514 1.00 0.49 C ATOM 484 C GLY A 51 -0.078 -7.558 -17.611 1.00 0.52 C ATOM 485 O GLY A 51 0.473 -8.103 -16.658 1.00 0.55 O ATOM 0 H GLY A 51 -1.217 -10.358 -17.933 1.00 0.47 H new ATOM 0 HA2 GLY A 51 -0.960 -7.939 -19.523 1.00 0.49 H new ATOM 0 HA3 GLY A 51 -2.031 -8.233 -18.167 1.00 0.49 H new ATOM 489 N PRO A 52 0.108 -6.253 -17.881 1.00 0.58 N ATOM 490 CA PRO A 52 0.973 -5.399 -17.062 1.00 0.66 C ATOM 491 C PRO A 52 0.535 -5.397 -15.602 1.00 0.64 C ATOM 492 O PRO A 52 -0.659 -5.366 -15.305 1.00 0.68 O ATOM 493 CB PRO A 52 0.798 -4.006 -17.675 1.00 0.71 C ATOM 494 CG PRO A 52 0.311 -4.254 -19.061 1.00 0.85 C ATOM 495 CD PRO A 52 -0.512 -5.510 -18.991 1.00 0.63 C ATOM 0 HA PRO A 52 2.008 -5.741 -17.061 1.00 0.66 H new ATOM 0 HB2 PRO A 52 0.084 -3.411 -17.106 1.00 0.71 H new ATOM 0 HB3 PRO A 52 1.739 -3.456 -17.680 1.00 0.71 H new ATOM 0 HG2 PRO A 52 -0.286 -3.416 -19.421 1.00 0.85 H new ATOM 0 HG3 PRO A 52 1.145 -4.372 -19.753 1.00 0.85 H new ATOM 0 HD2 PRO A 52 -1.562 -5.294 -18.795 1.00 0.63 H new ATOM 0 HD3 PRO A 52 -0.471 -6.071 -19.924 1.00 0.63 H new ATOM 503 N LEU A 53 1.502 -5.443 -14.695 1.00 0.65 N ATOM 504 CA LEU A 53 1.200 -5.460 -13.269 1.00 0.67 C ATOM 505 C LEU A 53 0.845 -4.072 -12.750 1.00 0.57 C ATOM 506 O LEU A 53 1.727 -3.241 -12.534 1.00 0.59 O ATOM 507 CB LEU A 53 2.402 -5.996 -12.488 1.00 0.78 C ATOM 508 CG LEU A 53 2.401 -7.500 -12.241 1.00 1.25 C ATOM 509 CD1 LEU A 53 3.811 -7.987 -11.944 1.00 1.90 C ATOM 510 CD2 LEU A 53 1.465 -7.846 -11.091 1.00 1.86 C ATOM 0 H LEU A 53 2.497 -5.469 -14.919 1.00 0.65 H new ATOM 0 HA LEU A 53 0.337 -6.110 -13.124 1.00 0.67 H new ATOM 0 HB2 LEU A 53 3.312 -5.734 -13.029 1.00 0.78 H new ATOM 0 HB3 LEU A 53 2.445 -5.487 -11.525 1.00 0.78 H new ATOM 0 HG LEU A 53 2.044 -8.001 -13.141 1.00 1.25 H new ATOM 0 HD11 LEU A 53 3.795 -9.063 -11.770 1.00 1.90 H new ATOM 0 HD12 LEU A 53 4.458 -7.766 -12.793 1.00 1.90 H new ATOM 0 HD13 LEU A 53 4.191 -7.481 -11.057 1.00 1.90 H new ATOM 0 HD21 LEU A 53 1.474 -8.923 -10.926 1.00 1.86 H new ATOM 0 HD22 LEU A 53 1.797 -7.337 -10.186 1.00 1.86 H new ATOM 0 HD23 LEU A 53 0.453 -7.525 -11.337 1.00 1.86 H new ATOM 522 N ASP A 54 -0.443 -3.831 -12.513 1.00 0.67 N ATOM 523 CA ASP A 54 -0.877 -2.561 -11.982 1.00 0.61 C ATOM 524 C ASP A 54 -1.456 -2.749 -10.584 1.00 0.71 C ATOM 525 O ASP A 54 -2.591 -3.189 -10.412 1.00 1.24 O ATOM 526 CB ASP A 54 -1.916 -1.939 -12.900 1.00 0.67 C ATOM 527 CG ASP A 54 -1.328 -1.470 -14.216 1.00 1.06 C ATOM 528 OD1 ASP A 54 -0.095 -1.284 -14.282 1.00 1.78 O ATOM 529 OD2 ASP A 54 -2.100 -1.295 -15.182 1.00 1.76 O ATOM 0 H ASP A 54 -1.193 -4.501 -12.682 1.00 0.67 H new ATOM 0 HA ASP A 54 -0.018 -1.892 -11.920 1.00 0.61 H new ATOM 0 HB2 ASP A 54 -2.703 -2.667 -13.097 1.00 0.67 H new ATOM 0 HB3 ASP A 54 -2.383 -1.094 -12.394 1.00 0.67 H new ATOM 534 N ILE A 55 -0.659 -2.394 -9.601 1.00 0.31 N ATOM 535 CA ILE A 55 -1.024 -2.488 -8.202 1.00 0.33 C ATOM 536 C ILE A 55 -1.562 -1.155 -7.715 1.00 0.27 C ATOM 537 O ILE A 55 -1.038 -0.107 -8.089 1.00 0.44 O ATOM 538 CB ILE A 55 0.194 -2.900 -7.352 1.00 0.44 C ATOM 539 CG1 ILE A 55 0.765 -4.221 -7.872 1.00 0.64 C ATOM 540 CG2 ILE A 55 -0.187 -3.020 -5.882 1.00 0.52 C ATOM 541 CD1 ILE A 55 2.184 -4.489 -7.424 1.00 0.75 C ATOM 0 H ILE A 55 0.280 -2.025 -9.753 1.00 0.31 H new ATOM 0 HA ILE A 55 -1.798 -3.249 -8.097 1.00 0.33 H new ATOM 0 HB ILE A 55 0.958 -2.127 -7.436 1.00 0.44 H new ATOM 0 HG12 ILE A 55 0.127 -5.039 -7.537 1.00 0.64 H new ATOM 0 HG13 ILE A 55 0.732 -4.217 -8.961 1.00 0.64 H new ATOM 0 HG21 ILE A 55 0.688 -3.312 -5.302 1.00 0.52 H new ATOM 0 HG22 ILE A 55 -0.557 -2.060 -5.522 1.00 0.52 H new ATOM 0 HG23 ILE A 55 -0.965 -3.774 -5.768 1.00 0.52 H new ATOM 0 HD11 ILE A 55 2.520 -5.442 -7.831 1.00 0.75 H new ATOM 0 HD12 ILE A 55 2.835 -3.692 -7.782 1.00 0.75 H new ATOM 0 HD13 ILE A 55 2.221 -4.527 -6.335 1.00 0.75 H new ATOM 553 N GLU A 56 -2.607 -1.176 -6.896 1.00 0.33 N ATOM 554 CA GLU A 56 -3.173 0.071 -6.408 1.00 0.28 C ATOM 555 C GLU A 56 -3.529 0.017 -4.921 1.00 0.27 C ATOM 556 O GLU A 56 -4.406 -0.744 -4.512 1.00 0.40 O ATOM 557 CB GLU A 56 -4.421 0.430 -7.213 1.00 0.35 C ATOM 558 CG GLU A 56 -4.125 0.847 -8.645 1.00 1.09 C ATOM 559 CD GLU A 56 -5.380 1.197 -9.422 1.00 1.12 C ATOM 560 OE1 GLU A 56 -6.489 0.934 -8.911 1.00 1.67 O ATOM 561 OE2 GLU A 56 -5.253 1.733 -10.543 1.00 1.46 O ATOM 0 H GLU A 56 -3.069 -2.022 -6.563 1.00 0.33 H new ATOM 0 HA GLU A 56 -2.406 0.835 -6.535 1.00 0.28 H new ATOM 0 HB2 GLU A 56 -5.094 -0.427 -7.225 1.00 0.35 H new ATOM 0 HB3 GLU A 56 -4.947 1.241 -6.709 1.00 0.35 H new ATOM 0 HG2 GLU A 56 -3.455 1.707 -8.638 1.00 1.09 H new ATOM 0 HG3 GLU A 56 -3.601 0.038 -9.154 1.00 1.09 H new ATOM 568 N TRP A 57 -2.869 0.858 -4.121 1.00 0.19 N ATOM 569 CA TRP A 57 -3.143 0.932 -2.695 1.00 0.19 C ATOM 570 C TRP A 57 -4.207 1.984 -2.411 1.00 0.19 C ATOM 571 O TRP A 57 -4.022 3.160 -2.725 1.00 0.22 O ATOM 572 CB TRP A 57 -1.880 1.268 -1.900 1.00 0.20 C ATOM 573 CG TRP A 57 -0.894 0.135 -1.820 1.00 0.18 C ATOM 574 CD1 TRP A 57 0.094 -0.185 -2.718 1.00 0.18 C ATOM 575 CD2 TRP A 57 -0.794 -0.826 -0.763 1.00 0.18 C ATOM 576 NE1 TRP A 57 0.788 -1.282 -2.279 1.00 0.17 N ATOM 577 CE2 TRP A 57 0.266 -1.692 -1.087 1.00 0.17 C ATOM 578 CE3 TRP A 57 -1.498 -1.040 0.426 1.00 0.20 C ATOM 579 CZ2 TRP A 57 0.641 -2.746 -0.268 1.00 0.18 C ATOM 580 CZ3 TRP A 57 -1.123 -2.094 1.239 1.00 0.21 C ATOM 581 CH2 TRP A 57 -0.060 -2.934 0.888 1.00 0.20 C ATOM 0 H TRP A 57 -2.141 1.496 -4.443 1.00 0.19 H new ATOM 0 HA TRP A 57 -3.503 -0.048 -2.382 1.00 0.19 H new ATOM 0 HB2 TRP A 57 -1.393 2.130 -2.357 1.00 0.20 H new ATOM 0 HB3 TRP A 57 -2.165 1.561 -0.890 1.00 0.20 H new ATOM 0 HD1 TRP A 57 0.295 0.349 -3.635 1.00 0.18 H new ATOM 0 HE1 TRP A 57 1.569 -1.722 -2.765 1.00 0.17 H new ATOM 0 HE3 TRP A 57 -2.318 -0.395 0.704 1.00 0.20 H new ATOM 0 HZ2 TRP A 57 1.460 -3.397 -0.536 1.00 0.18 H new ATOM 0 HZ3 TRP A 57 -1.659 -2.272 2.160 1.00 0.21 H new ATOM 0 HH2 TRP A 57 0.211 -3.747 1.545 1.00 0.20 H new ATOM 592 N LEU A 58 -5.300 1.572 -1.792 1.00 0.21 N ATOM 593 CA LEU A 58 -6.365 2.500 -1.438 1.00 0.22 C ATOM 594 C LEU A 58 -6.340 2.714 0.069 1.00 0.23 C ATOM 595 O LEU A 58 -6.101 1.772 0.823 1.00 0.34 O ATOM 596 CB LEU A 58 -7.729 1.963 -1.879 1.00 0.25 C ATOM 597 CG LEU A 58 -7.877 1.718 -3.382 1.00 0.33 C ATOM 598 CD1 LEU A 58 -9.232 1.101 -3.689 1.00 0.39 C ATOM 599 CD2 LEU A 58 -7.694 3.014 -4.158 1.00 0.41 C ATOM 0 H LEU A 58 -5.475 0.604 -1.524 1.00 0.21 H new ATOM 0 HA LEU A 58 -6.205 3.448 -1.951 1.00 0.22 H new ATOM 0 HB2 LEU A 58 -7.920 1.027 -1.354 1.00 0.25 H new ATOM 0 HB3 LEU A 58 -8.498 2.668 -1.564 1.00 0.25 H new ATOM 0 HG LEU A 58 -7.100 1.020 -3.694 1.00 0.33 H new ATOM 0 HD11 LEU A 58 -9.321 0.933 -4.762 1.00 0.39 H new ATOM 0 HD12 LEU A 58 -9.326 0.150 -3.164 1.00 0.39 H new ATOM 0 HD13 LEU A 58 -10.022 1.776 -3.361 1.00 0.39 H new ATOM 0 HD21 LEU A 58 -7.803 2.818 -5.225 1.00 0.41 H new ATOM 0 HD22 LEU A 58 -8.447 3.736 -3.843 1.00 0.41 H new ATOM 0 HD23 LEU A 58 -6.700 3.418 -3.963 1.00 0.41 H new ATOM 611 N ILE A 59 -6.555 3.945 0.514 1.00 0.32 N ATOM 612 CA ILE A 59 -6.513 4.236 1.942 1.00 0.39 C ATOM 613 C ILE A 59 -7.747 4.983 2.419 1.00 0.36 C ATOM 614 O ILE A 59 -8.164 5.977 1.824 1.00 0.37 O ATOM 615 CB ILE A 59 -5.269 5.070 2.307 1.00 0.52 C ATOM 616 CG1 ILE A 59 -5.242 5.365 3.812 1.00 0.64 C ATOM 617 CG2 ILE A 59 -5.248 6.364 1.507 1.00 0.57 C ATOM 618 CD1 ILE A 59 -4.084 6.241 4.240 1.00 0.78 C ATOM 0 H ILE A 59 -6.757 4.748 -0.082 1.00 0.32 H new ATOM 0 HA ILE A 59 -6.473 3.267 2.440 1.00 0.39 H new ATOM 0 HB ILE A 59 -4.378 4.494 2.056 1.00 0.52 H new ATOM 0 HG12 ILE A 59 -6.176 5.850 4.095 1.00 0.64 H new ATOM 0 HG13 ILE A 59 -5.194 4.422 4.357 1.00 0.64 H new ATOM 0 HG21 ILE A 59 -4.364 6.943 1.775 1.00 0.57 H new ATOM 0 HG22 ILE A 59 -5.221 6.133 0.442 1.00 0.57 H new ATOM 0 HG23 ILE A 59 -6.143 6.944 1.730 1.00 0.57 H new ATOM 0 HD11 ILE A 59 -4.131 6.406 5.316 1.00 0.78 H new ATOM 0 HD12 ILE A 59 -3.144 5.750 3.989 1.00 0.78 H new ATOM 0 HD13 ILE A 59 -4.142 7.199 3.723 1.00 0.78 H new ATOM 630 N SER A 60 -8.301 4.506 3.526 1.00 0.36 N ATOM 631 CA SER A 60 -9.461 5.130 4.132 1.00 0.34 C ATOM 632 C SER A 60 -9.109 5.576 5.548 1.00 0.34 C ATOM 633 O SER A 60 -9.022 4.752 6.458 1.00 0.35 O ATOM 634 CB SER A 60 -10.632 4.145 4.173 1.00 0.36 C ATOM 635 OG SER A 60 -10.903 3.620 2.885 1.00 1.25 O ATOM 0 H SER A 60 -7.960 3.683 4.022 1.00 0.36 H new ATOM 0 HA SER A 60 -9.755 5.995 3.538 1.00 0.34 H new ATOM 0 HB2 SER A 60 -10.402 3.331 4.860 1.00 0.36 H new ATOM 0 HB3 SER A 60 -11.520 4.646 4.559 1.00 0.36 H new ATOM 0 HG SER A 60 -11.410 2.786 2.972 1.00 1.25 H new ATOM 641 N PRO A 61 -8.884 6.885 5.756 1.00 0.34 N ATOM 642 CA PRO A 61 -8.522 7.420 7.064 1.00 0.34 C ATOM 643 C PRO A 61 -9.733 7.573 7.975 1.00 0.34 C ATOM 644 O PRO A 61 -10.697 8.260 7.639 1.00 0.35 O ATOM 645 CB PRO A 61 -7.907 8.796 6.741 1.00 0.36 C ATOM 646 CG PRO A 61 -7.879 8.895 5.247 1.00 0.53 C ATOM 647 CD PRO A 61 -8.924 7.944 4.747 1.00 0.35 C ATOM 0 HA PRO A 61 -7.842 6.759 7.600 1.00 0.34 H new ATOM 0 HB2 PRO A 61 -8.501 9.600 7.174 1.00 0.36 H new ATOM 0 HB3 PRO A 61 -6.903 8.882 7.157 1.00 0.36 H new ATOM 0 HG2 PRO A 61 -8.090 9.913 4.920 1.00 0.53 H new ATOM 0 HG3 PRO A 61 -6.895 8.633 4.858 1.00 0.53 H new ATOM 0 HD2 PRO A 61 -9.906 8.413 4.687 1.00 0.35 H new ATOM 0 HD3 PRO A 61 -8.689 7.567 3.751 1.00 0.35 H new ATOM 655 N ALA A 62 -9.673 6.922 9.132 1.00 0.34 N ATOM 656 CA ALA A 62 -10.761 6.977 10.099 1.00 0.36 C ATOM 657 C ALA A 62 -11.016 8.408 10.547 1.00 0.37 C ATOM 658 O ALA A 62 -12.162 8.824 10.722 1.00 0.41 O ATOM 659 CB ALA A 62 -10.449 6.094 11.297 1.00 0.39 C ATOM 0 H ALA A 62 -8.880 6.349 9.422 1.00 0.34 H new ATOM 0 HA ALA A 62 -11.665 6.605 9.617 1.00 0.36 H new ATOM 0 HB1 ALA A 62 -11.271 6.145 12.011 1.00 0.39 H new ATOM 0 HB2 ALA A 62 -10.320 5.064 10.966 1.00 0.39 H new ATOM 0 HB3 ALA A 62 -9.532 6.439 11.774 1.00 0.39 H new ATOM 665 N ASP A 63 -9.937 9.151 10.741 1.00 0.34 N ATOM 666 CA ASP A 63 -10.026 10.534 11.182 1.00 0.36 C ATOM 667 C ASP A 63 -10.478 11.456 10.050 1.00 0.41 C ATOM 668 O ASP A 63 -11.264 12.379 10.267 1.00 0.77 O ATOM 669 CB ASP A 63 -8.669 10.990 11.729 1.00 0.38 C ATOM 670 CG ASP A 63 -7.614 11.120 10.646 1.00 1.09 C ATOM 671 OD1 ASP A 63 -7.696 10.381 9.644 1.00 1.82 O ATOM 672 OD2 ASP A 63 -6.708 11.965 10.801 1.00 1.80 O ATOM 0 H ASP A 63 -8.984 8.816 10.599 1.00 0.34 H new ATOM 0 HA ASP A 63 -10.775 10.592 11.972 1.00 0.36 H new ATOM 0 HB2 ASP A 63 -8.788 11.950 12.231 1.00 0.38 H new ATOM 0 HB3 ASP A 63 -8.327 10.278 12.480 1.00 0.38 H new ATOM 677 N ASN A 64 -9.970 11.210 8.848 1.00 0.53 N ATOM 678 CA ASN A 64 -10.315 12.028 7.688 1.00 0.55 C ATOM 679 C ASN A 64 -11.626 11.579 7.043 1.00 0.53 C ATOM 680 O ASN A 64 -12.023 10.418 7.143 1.00 0.49 O ATOM 681 CB ASN A 64 -9.194 11.989 6.648 1.00 0.54 C ATOM 682 CG ASN A 64 -7.876 12.501 7.195 1.00 1.17 C ATOM 683 OD1 ASN A 64 -6.854 11.819 7.124 1.00 1.94 O ATOM 684 ND2 ASN A 64 -7.893 13.709 7.746 1.00 1.80 N ATOM 0 H ASN A 64 -9.318 10.451 8.650 1.00 0.53 H new ATOM 0 HA ASN A 64 -10.444 13.050 8.046 1.00 0.55 H new ATOM 0 HB2 ASN A 64 -9.065 10.965 6.296 1.00 0.54 H new ATOM 0 HB3 ASN A 64 -9.483 12.589 5.785 1.00 0.54 H new ATOM 0 HD21 ASN A 64 -7.036 14.106 8.132 1.00 1.80 H new ATOM 0 HD22 ASN A 64 -8.763 14.240 7.784 1.00 1.80 H new ATOM 691 N GLN A 65 -12.276 12.520 6.367 1.00 0.58 N ATOM 692 CA GLN A 65 -13.536 12.268 5.670 1.00 0.60 C ATOM 693 C GLN A 65 -13.321 11.375 4.449 1.00 0.54 C ATOM 694 O GLN A 65 -14.269 10.824 3.888 1.00 0.55 O ATOM 695 CB GLN A 65 -14.140 13.591 5.218 1.00 0.68 C ATOM 696 CG GLN A 65 -14.659 14.449 6.358 1.00 0.75 C ATOM 697 CD GLN A 65 -15.170 15.796 5.886 1.00 1.18 C ATOM 698 OE1 GLN A 65 -14.640 16.376 4.939 1.00 1.66 O ATOM 699 NE2 GLN A 65 -16.207 16.300 6.545 1.00 1.53 N ATOM 0 H GLN A 65 -11.945 13.481 6.286 1.00 0.58 H new ATOM 0 HA GLN A 65 -14.211 11.760 6.359 1.00 0.60 H new ATOM 0 HB2 GLN A 65 -13.387 14.154 4.666 1.00 0.68 H new ATOM 0 HB3 GLN A 65 -14.958 13.389 4.526 1.00 0.68 H new ATOM 0 HG2 GLN A 65 -15.462 13.919 6.871 1.00 0.75 H new ATOM 0 HG3 GLN A 65 -13.862 14.601 7.086 1.00 0.75 H new ATOM 0 HE21 GLN A 65 -16.615 15.784 7.325 1.00 1.53 H new ATOM 0 HE22 GLN A 65 -16.595 17.203 6.271 1.00 1.53 H new ATOM 708 N LYS A 66 -12.069 11.277 4.028 1.00 0.50 N ATOM 709 CA LYS A 66 -11.694 10.498 2.850 1.00 0.46 C ATOM 710 C LYS A 66 -11.868 9.002 3.092 1.00 0.40 C ATOM 711 O LYS A 66 -11.734 8.526 4.217 1.00 0.40 O ATOM 712 CB LYS A 66 -10.230 10.779 2.519 1.00 0.48 C ATOM 713 CG LYS A 66 -9.910 12.255 2.371 1.00 0.76 C ATOM 714 CD LYS A 66 -8.437 12.526 2.626 1.00 0.76 C ATOM 715 CE LYS A 66 -8.159 14.016 2.744 1.00 1.09 C ATOM 716 NZ LYS A 66 -8.847 14.617 3.920 1.00 1.74 N ATOM 0 H LYS A 66 -11.283 11.733 4.490 1.00 0.50 H new ATOM 0 HA LYS A 66 -12.343 10.789 2.024 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -9.602 10.357 3.304 1.00 0.48 H new ATOM 0 HB3 LYS A 66 -9.971 10.266 1.593 1.00 0.48 H new ATOM 0 HG2 LYS A 66 -10.175 12.589 1.368 1.00 0.76 H new ATOM 0 HG3 LYS A 66 -10.515 12.833 3.070 1.00 0.76 H new ATOM 0 HD2 LYS A 66 -8.126 12.023 3.542 1.00 0.76 H new ATOM 0 HD3 LYS A 66 -7.843 12.107 1.814 1.00 0.76 H new ATOM 0 HE2 LYS A 66 -7.085 14.179 2.829 1.00 1.09 H new ATOM 0 HE3 LYS A 66 -8.487 14.520 1.835 1.00 1.09 H new ATOM 0 HZ1 LYS A 66 -8.579 15.618 4.005 1.00 1.74 H new ATOM 0 HZ2 LYS A 66 -9.877 14.544 3.794 1.00 1.74 H new ATOM 0 HZ3 LYS A 66 -8.567 14.109 4.783 1.00 1.74 H new ATOM 730 N VAL A 67 -12.165 8.261 2.025 1.00 0.41 N ATOM 731 CA VAL A 67 -12.341 6.860 2.096 1.00 0.38 C ATOM 732 C VAL A 67 -12.069 6.231 0.745 1.00 0.52 C ATOM 733 O VAL A 67 -12.632 6.617 -0.279 1.00 0.97 O ATOM 734 CB VAL A 67 -13.742 6.469 2.517 1.00 0.51 C ATOM 735 CG1 VAL A 67 -13.927 6.627 4.018 1.00 0.79 C ATOM 736 CG2 VAL A 67 -14.783 7.260 1.742 1.00 0.57 C ATOM 0 H VAL A 67 -12.286 8.647 1.088 1.00 0.41 H new ATOM 0 HA VAL A 67 -11.638 6.501 2.847 1.00 0.38 H new ATOM 0 HB VAL A 67 -13.884 5.415 2.279 1.00 0.51 H new ATOM 0 HG11 VAL A 67 -14.942 6.339 4.292 1.00 0.79 H new ATOM 0 HG12 VAL A 67 -13.215 5.989 4.542 1.00 0.79 H new ATOM 0 HG13 VAL A 67 -13.757 7.666 4.298 1.00 0.79 H new ATOM 0 HG21 VAL A 67 -15.781 6.961 2.063 1.00 0.57 H new ATOM 0 HG22 VAL A 67 -14.646 8.325 1.931 1.00 0.57 H new ATOM 0 HG23 VAL A 67 -14.670 7.063 0.676 1.00 0.57 H new ATOM 746 N ASP A 68 -11.232 5.247 0.786 1.00 0.33 N ATOM 747 CA ASP A 68 -10.855 4.472 -0.394 1.00 0.42 C ATOM 748 C ASP A 68 -10.213 5.328 -1.487 1.00 0.42 C ATOM 749 O ASP A 68 -10.470 5.120 -2.673 1.00 0.74 O ATOM 750 CB ASP A 68 -12.087 3.759 -0.951 1.00 0.63 C ATOM 751 CG ASP A 68 -12.564 2.640 -0.046 1.00 1.05 C ATOM 752 OD1 ASP A 68 -11.761 2.167 0.786 1.00 1.77 O ATOM 753 OD2 ASP A 68 -13.739 2.236 -0.169 1.00 1.71 O ATOM 0 H ASP A 68 -10.773 4.939 1.643 1.00 0.33 H new ATOM 0 HA ASP A 68 -10.105 3.746 -0.078 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -12.892 4.482 -1.086 1.00 0.63 H new ATOM 0 HB3 ASP A 68 -11.855 3.353 -1.935 1.00 0.63 H new ATOM 758 N GLN A 69 -9.369 6.273 -1.094 1.00 0.34 N ATOM 759 CA GLN A 69 -8.689 7.130 -2.063 1.00 0.34 C ATOM 760 C GLN A 69 -7.347 6.531 -2.472 1.00 0.31 C ATOM 761 O GLN A 69 -6.672 5.896 -1.663 1.00 0.33 O ATOM 762 CB GLN A 69 -8.472 8.533 -1.490 1.00 0.38 C ATOM 763 CG GLN A 69 -9.756 9.333 -1.338 1.00 0.44 C ATOM 764 CD GLN A 69 -9.518 10.718 -0.769 1.00 1.19 C ATOM 765 OE1 GLN A 69 -8.508 10.967 -0.112 1.00 1.96 O ATOM 766 NE2 GLN A 69 -10.452 11.629 -1.019 1.00 1.88 N ATOM 0 H GLN A 69 -9.138 6.467 -0.119 1.00 0.34 H new ATOM 0 HA GLN A 69 -9.326 7.202 -2.944 1.00 0.34 H new ATOM 0 HB2 GLN A 69 -7.989 8.448 -0.517 1.00 0.38 H new ATOM 0 HB3 GLN A 69 -7.788 9.080 -2.139 1.00 0.38 H new ATOM 0 HG2 GLN A 69 -10.241 9.422 -2.310 1.00 0.44 H new ATOM 0 HG3 GLN A 69 -10.443 8.791 -0.688 1.00 0.44 H new ATOM 0 HE21 GLN A 69 -11.274 11.379 -1.569 1.00 1.88 H new ATOM 0 HE22 GLN A 69 -10.347 12.578 -0.661 1.00 1.88 H new ATOM 775 N VAL A 70 -6.951 6.754 -3.724 1.00 0.30 N ATOM 776 CA VAL A 70 -5.673 6.248 -4.209 1.00 0.29 C ATOM 777 C VAL A 70 -4.550 6.947 -3.465 1.00 0.28 C ATOM 778 O VAL A 70 -4.554 8.169 -3.322 1.00 0.38 O ATOM 779 CB VAL A 70 -5.501 6.477 -5.708 1.00 0.33 C ATOM 780 CG1 VAL A 70 -4.288 5.725 -6.229 1.00 0.77 C ATOM 781 CG2 VAL A 70 -6.758 6.081 -6.467 1.00 0.74 C ATOM 0 H VAL A 70 -7.492 7.276 -4.413 1.00 0.30 H new ATOM 0 HA VAL A 70 -5.646 5.173 -4.030 1.00 0.29 H new ATOM 0 HB VAL A 70 -5.335 7.542 -5.873 1.00 0.33 H new ATOM 0 HG11 VAL A 70 -4.183 5.901 -7.300 1.00 0.77 H new ATOM 0 HG12 VAL A 70 -3.394 6.076 -5.714 1.00 0.77 H new ATOM 0 HG13 VAL A 70 -4.416 4.658 -6.048 1.00 0.77 H new ATOM 0 HG21 VAL A 70 -6.609 6.254 -7.533 1.00 0.74 H new ATOM 0 HG22 VAL A 70 -6.968 5.025 -6.297 1.00 0.74 H new ATOM 0 HG23 VAL A 70 -7.599 6.680 -6.116 1.00 0.74 H new ATOM 791 N ILE A 71 -3.623 6.165 -2.942 1.00 0.32 N ATOM 792 CA ILE A 71 -2.532 6.713 -2.152 1.00 0.38 C ATOM 793 C ILE A 71 -1.166 6.310 -2.681 1.00 0.33 C ATOM 794 O ILE A 71 -0.318 7.164 -2.928 1.00 0.35 O ATOM 795 CB ILE A 71 -2.715 6.289 -0.670 1.00 0.50 C ATOM 796 CG1 ILE A 71 -1.465 6.546 0.161 1.00 0.56 C ATOM 797 CG2 ILE A 71 -3.118 4.826 -0.571 1.00 1.15 C ATOM 798 CD1 ILE A 71 -0.284 5.687 -0.224 1.00 0.26 C ATOM 0 H ILE A 71 -3.602 5.151 -3.049 1.00 0.32 H new ATOM 0 HA ILE A 71 -2.569 7.800 -2.227 1.00 0.38 H new ATOM 0 HB ILE A 71 -3.515 6.907 -0.262 1.00 0.50 H new ATOM 0 HG12 ILE A 71 -1.185 7.595 0.063 1.00 0.56 H new ATOM 0 HG13 ILE A 71 -1.698 6.375 1.212 1.00 0.56 H new ATOM 0 HG21 ILE A 71 -3.240 4.552 0.477 1.00 1.15 H new ATOM 0 HG22 ILE A 71 -4.059 4.671 -1.099 1.00 1.15 H new ATOM 0 HG23 ILE A 71 -2.344 4.204 -1.020 1.00 1.15 H new ATOM 0 HD11 ILE A 71 0.566 5.930 0.414 1.00 0.26 H new ATOM 0 HD12 ILE A 71 -0.543 4.636 -0.099 1.00 0.26 H new ATOM 0 HD13 ILE A 71 -0.022 5.875 -1.265 1.00 0.26 H new ATOM 810 N ILE A 72 -0.946 5.029 -2.858 1.00 0.29 N ATOM 811 CA ILE A 72 0.328 4.549 -3.366 1.00 0.24 C ATOM 812 C ILE A 72 0.078 3.409 -4.348 1.00 0.22 C ATOM 813 O ILE A 72 -0.655 2.470 -4.051 1.00 0.27 O ATOM 814 CB ILE A 72 1.263 4.075 -2.204 1.00 0.23 C ATOM 815 CG1 ILE A 72 2.675 3.834 -2.721 1.00 0.21 C ATOM 816 CG2 ILE A 72 0.721 2.809 -1.554 1.00 0.25 C ATOM 817 CD1 ILE A 72 2.850 2.554 -3.504 1.00 0.29 C ATOM 0 H ILE A 72 -1.628 4.297 -2.660 1.00 0.29 H new ATOM 0 HA ILE A 72 0.833 5.369 -3.877 1.00 0.24 H new ATOM 0 HB ILE A 72 1.293 4.863 -1.452 1.00 0.23 H new ATOM 0 HG12 ILE A 72 2.964 4.673 -3.353 1.00 0.21 H new ATOM 0 HG13 ILE A 72 3.361 3.822 -1.874 1.00 0.21 H new ATOM 0 HG21 ILE A 72 1.388 2.499 -0.749 1.00 0.25 H new ATOM 0 HG22 ILE A 72 -0.271 3.005 -1.148 1.00 0.25 H new ATOM 0 HG23 ILE A 72 0.658 2.016 -2.299 1.00 0.25 H new ATOM 0 HD11 ILE A 72 3.886 2.467 -3.832 1.00 0.29 H new ATOM 0 HD12 ILE A 72 2.597 1.703 -2.872 1.00 0.29 H new ATOM 0 HD13 ILE A 72 2.194 2.567 -4.374 1.00 0.29 H new ATOM 829 N LEU A 73 0.672 3.499 -5.526 1.00 0.25 N ATOM 830 CA LEU A 73 0.482 2.469 -6.537 1.00 0.26 C ATOM 831 C LEU A 73 1.777 2.147 -7.245 1.00 0.27 C ATOM 832 O LEU A 73 2.784 2.801 -7.058 1.00 0.30 O ATOM 833 CB LEU A 73 -0.507 2.892 -7.630 1.00 0.33 C ATOM 834 CG LEU A 73 -1.674 3.774 -7.235 1.00 0.71 C ATOM 835 CD1 LEU A 73 -2.525 4.031 -8.471 1.00 1.30 C ATOM 836 CD2 LEU A 73 -2.493 3.136 -6.131 1.00 1.22 C ATOM 0 H LEU A 73 1.284 4.266 -5.806 1.00 0.25 H new ATOM 0 HA LEU A 73 0.098 1.607 -5.992 1.00 0.26 H new ATOM 0 HB2 LEU A 73 0.056 3.411 -8.406 1.00 0.33 H new ATOM 0 HB3 LEU A 73 -0.912 1.986 -8.082 1.00 0.33 H new ATOM 0 HG LEU A 73 -1.300 4.721 -6.845 1.00 0.71 H new ATOM 0 HD11 LEU A 73 -3.371 4.665 -8.205 1.00 1.30 H new ATOM 0 HD12 LEU A 73 -1.922 4.529 -9.230 1.00 1.30 H new ATOM 0 HD13 LEU A 73 -2.892 3.083 -8.864 1.00 1.30 H new ATOM 0 HD21 LEU A 73 -3.323 3.792 -5.869 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -2.882 2.177 -6.474 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -1.863 2.979 -5.255 1.00 1.22 H new ATOM 848 N TYR A 74 1.687 1.158 -8.103 1.00 0.25 N ATOM 849 CA TYR A 74 2.782 0.733 -8.951 1.00 0.27 C ATOM 850 C TYR A 74 2.200 0.374 -10.311 1.00 0.29 C ATOM 851 O TYR A 74 1.580 -0.677 -10.472 1.00 0.29 O ATOM 852 CB TYR A 74 3.528 -0.457 -8.348 1.00 0.28 C ATOM 853 CG TYR A 74 4.450 -1.161 -9.327 1.00 0.33 C ATOM 854 CD1 TYR A 74 5.626 -0.564 -9.795 1.00 1.19 C ATOM 855 CD2 TYR A 74 4.134 -2.432 -9.790 1.00 1.25 C ATOM 856 CE1 TYR A 74 6.448 -1.223 -10.688 1.00 1.21 C ATOM 857 CE2 TYR A 74 4.953 -3.092 -10.683 1.00 1.30 C ATOM 858 CZ TYR A 74 6.108 -2.484 -11.128 1.00 0.50 C ATOM 859 OH TYR A 74 6.929 -3.140 -12.018 1.00 0.60 O ATOM 0 H TYR A 74 0.835 0.614 -8.236 1.00 0.25 H new ATOM 0 HA TYR A 74 3.509 1.539 -9.048 1.00 0.27 H new ATOM 0 HB2 TYR A 74 4.113 -0.113 -7.495 1.00 0.28 H new ATOM 0 HB3 TYR A 74 2.801 -1.175 -7.967 1.00 0.28 H new ATOM 0 HD1 TYR A 74 5.894 0.425 -9.453 1.00 1.19 H new ATOM 0 HD2 TYR A 74 3.231 -2.912 -9.445 1.00 1.25 H new ATOM 0 HE1 TYR A 74 7.354 -0.752 -11.040 1.00 1.21 H new ATOM 0 HE2 TYR A 74 4.691 -4.080 -11.032 1.00 1.30 H new ATOM 0 HH TYR A 74 7.716 -2.587 -12.206 1.00 0.60 H new ATOM 869 N SER A 75 2.380 1.256 -11.278 1.00 0.32 N ATOM 870 CA SER A 75 1.844 1.029 -12.616 1.00 0.36 C ATOM 871 C SER A 75 2.820 1.513 -13.686 1.00 0.41 C ATOM 872 O SER A 75 3.636 2.400 -13.438 1.00 0.43 O ATOM 873 CB SER A 75 0.488 1.738 -12.768 1.00 0.39 C ATOM 874 OG SER A 75 -0.315 1.102 -13.746 1.00 0.89 O ATOM 0 H SER A 75 2.890 2.133 -11.167 1.00 0.32 H new ATOM 0 HA SER A 75 1.701 -0.043 -12.751 1.00 0.36 H new ATOM 0 HB2 SER A 75 -0.033 1.740 -11.811 1.00 0.39 H new ATOM 0 HB3 SER A 75 0.648 2.780 -13.046 1.00 0.39 H new ATOM 0 HG SER A 75 0.213 0.417 -14.208 1.00 0.89 H new ATOM 880 N GLY A 76 2.740 0.921 -14.876 1.00 0.44 N ATOM 881 CA GLY A 76 3.626 1.316 -15.958 1.00 0.50 C ATOM 882 C GLY A 76 5.084 1.232 -15.561 1.00 0.52 C ATOM 883 O GLY A 76 5.914 2.002 -16.047 1.00 0.57 O ATOM 0 H GLY A 76 2.081 0.178 -15.109 1.00 0.44 H new ATOM 0 HA2 GLY A 76 3.449 0.676 -16.823 1.00 0.50 H new ATOM 0 HA3 GLY A 76 3.392 2.336 -16.263 1.00 0.50 H new ATOM 887 N ASP A 77 5.392 0.307 -14.659 1.00 0.55 N ATOM 888 CA ASP A 77 6.755 0.132 -14.171 1.00 0.63 C ATOM 889 C ASP A 77 7.141 1.262 -13.216 1.00 0.62 C ATOM 890 O ASP A 77 8.276 1.323 -12.743 1.00 0.66 O ATOM 891 CB ASP A 77 7.740 0.072 -15.342 1.00 0.72 C ATOM 892 CG ASP A 77 8.601 -1.176 -15.311 1.00 0.85 C ATOM 893 OD1 ASP A 77 9.113 -1.517 -14.224 1.00 1.40 O ATOM 894 OD2 ASP A 77 8.761 -1.813 -16.373 1.00 1.46 O ATOM 0 H ASP A 77 4.714 -0.335 -14.250 1.00 0.55 H new ATOM 0 HA ASP A 77 6.800 -0.810 -13.625 1.00 0.63 H new ATOM 0 HB2 ASP A 77 7.187 0.105 -16.281 1.00 0.72 H new ATOM 0 HB3 ASP A 77 8.381 0.953 -15.319 1.00 0.72 H new ATOM 899 N LYS A 78 6.187 2.147 -12.922 1.00 0.64 N ATOM 900 CA LYS A 78 6.432 3.256 -12.011 1.00 0.66 C ATOM 901 C LYS A 78 5.779 3.018 -10.667 1.00 0.58 C ATOM 902 O LYS A 78 4.556 3.100 -10.543 1.00 0.46 O ATOM 903 CB LYS A 78 5.899 4.579 -12.580 1.00 0.66 C ATOM 904 CG LYS A 78 6.782 5.189 -13.655 1.00 0.86 C ATOM 905 CD LYS A 78 6.201 6.493 -14.175 1.00 1.35 C ATOM 906 CE LYS A 78 7.082 7.107 -15.251 1.00 1.65 C ATOM 907 NZ LYS A 78 8.395 7.557 -14.708 1.00 2.41 N ATOM 0 H LYS A 78 5.241 2.114 -13.303 1.00 0.64 H new ATOM 0 HA LYS A 78 7.513 3.322 -11.888 1.00 0.66 H new ATOM 0 HB2 LYS A 78 4.905 4.411 -12.993 1.00 0.66 H new ATOM 0 HB3 LYS A 78 5.789 5.295 -11.765 1.00 0.66 H new ATOM 0 HG2 LYS A 78 7.778 5.368 -13.251 1.00 0.86 H new ATOM 0 HG3 LYS A 78 6.894 4.484 -14.479 1.00 0.86 H new ATOM 0 HD2 LYS A 78 5.205 6.313 -14.578 1.00 1.35 H new ATOM 0 HD3 LYS A 78 6.089 7.197 -13.350 1.00 1.35 H new ATOM 0 HE2 LYS A 78 7.248 6.377 -16.043 1.00 1.65 H new ATOM 0 HE3 LYS A 78 6.566 7.955 -15.702 1.00 1.65 H new ATOM 0 HZ1 LYS A 78 8.902 8.104 -15.433 1.00 2.41 H new ATOM 0 HZ2 LYS A 78 8.238 8.154 -13.871 1.00 2.41 H new ATOM 0 HZ3 LYS A 78 8.963 6.728 -14.440 1.00 2.41 H new ATOM 921 N ILE A 79 6.590 2.796 -9.646 1.00 0.67 N ATOM 922 CA ILE A 79 6.049 2.638 -8.320 1.00 0.62 C ATOM 923 C ILE A 79 5.767 4.034 -7.802 1.00 0.57 C ATOM 924 O ILE A 79 6.672 4.848 -7.631 1.00 0.74 O ATOM 925 CB ILE A 79 6.990 1.919 -7.336 1.00 0.78 C ATOM 926 CG1 ILE A 79 8.419 2.360 -7.539 1.00 0.74 C ATOM 927 CG2 ILE A 79 6.884 0.408 -7.431 1.00 1.44 C ATOM 928 CD1 ILE A 79 8.830 3.390 -6.521 1.00 1.66 C ATOM 0 H ILE A 79 7.605 2.723 -9.713 1.00 0.67 H new ATOM 0 HA ILE A 79 5.160 2.012 -8.387 1.00 0.62 H new ATOM 0 HB ILE A 79 6.671 2.203 -6.333 1.00 0.78 H new ATOM 0 HG12 ILE A 79 9.080 1.496 -7.471 1.00 0.74 H new ATOM 0 HG13 ILE A 79 8.535 2.772 -8.542 1.00 0.74 H new ATOM 0 HG21 ILE A 79 7.568 -0.050 -6.717 1.00 1.44 H new ATOM 0 HG22 ILE A 79 5.863 0.100 -7.205 1.00 1.44 H new ATOM 0 HG23 ILE A 79 7.145 0.088 -8.440 1.00 1.44 H new ATOM 0 HD11 ILE A 79 9.865 3.684 -6.698 1.00 1.66 H new ATOM 0 HD12 ILE A 79 8.185 4.264 -6.607 1.00 1.66 H new ATOM 0 HD13 ILE A 79 8.739 2.969 -5.520 1.00 1.66 H new ATOM 940 N TYR A 80 4.506 4.318 -7.613 1.00 0.40 N ATOM 941 CA TYR A 80 4.067 5.616 -7.173 1.00 0.40 C ATOM 942 C TYR A 80 3.773 5.620 -5.679 1.00 0.35 C ATOM 943 O TYR A 80 3.209 4.672 -5.151 1.00 0.34 O ATOM 944 CB TYR A 80 2.812 6.015 -7.940 1.00 0.38 C ATOM 945 CG TYR A 80 2.738 5.512 -9.373 1.00 0.39 C ATOM 946 CD1 TYR A 80 3.432 6.148 -10.404 1.00 1.24 C ATOM 947 CD2 TYR A 80 1.911 4.441 -9.712 1.00 1.24 C ATOM 948 CE1 TYR A 80 3.310 5.728 -11.711 1.00 1.24 C ATOM 949 CE2 TYR A 80 1.776 4.036 -11.019 1.00 1.25 C ATOM 950 CZ TYR A 80 2.476 4.679 -12.015 1.00 0.42 C ATOM 951 OH TYR A 80 2.327 4.279 -13.324 1.00 0.45 O ATOM 0 H TYR A 80 3.749 3.651 -7.761 1.00 0.40 H new ATOM 0 HA TYR A 80 4.866 6.332 -7.366 1.00 0.40 H new ATOM 0 HB2 TYR A 80 1.942 5.646 -7.397 1.00 0.38 H new ATOM 0 HB3 TYR A 80 2.743 7.103 -7.950 1.00 0.38 H new ATOM 0 HD1 TYR A 80 4.076 6.984 -10.173 1.00 1.24 H new ATOM 0 HD2 TYR A 80 1.368 3.922 -8.936 1.00 1.24 H new ATOM 0 HE1 TYR A 80 3.868 6.221 -12.493 1.00 1.24 H new ATOM 0 HE2 TYR A 80 1.121 3.213 -11.264 1.00 1.25 H new ATOM 0 HH TYR A 80 3.110 3.756 -13.597 1.00 0.45 H new ATOM 961 N ASP A 81 4.162 6.707 -5.028 1.00 0.33 N ATOM 962 CA ASP A 81 3.968 6.908 -3.591 1.00 0.29 C ATOM 963 C ASP A 81 4.229 8.373 -3.286 1.00 0.31 C ATOM 964 O ASP A 81 3.390 9.058 -2.708 1.00 0.33 O ATOM 965 CB ASP A 81 4.935 6.031 -2.784 1.00 0.26 C ATOM 966 CG ASP A 81 6.388 6.253 -3.153 1.00 0.31 C ATOM 967 OD1 ASP A 81 6.653 6.676 -4.298 1.00 1.09 O ATOM 968 OD2 ASP A 81 7.262 6.006 -2.295 1.00 1.20 O ATOM 0 H ASP A 81 4.629 7.489 -5.487 1.00 0.33 H new ATOM 0 HA ASP A 81 2.951 6.630 -3.314 1.00 0.29 H new ATOM 0 HB2 ASP A 81 4.801 6.235 -1.722 1.00 0.26 H new ATOM 0 HB3 ASP A 81 4.683 4.982 -2.941 1.00 0.26 H new ATOM 973 N ASP A 82 5.392 8.845 -3.732 1.00 0.32 N ATOM 974 CA ASP A 82 5.792 10.237 -3.567 1.00 0.36 C ATOM 975 C ASP A 82 5.113 11.093 -4.626 1.00 0.41 C ATOM 976 O ASP A 82 4.888 12.288 -4.436 1.00 0.45 O ATOM 977 CB ASP A 82 7.311 10.371 -3.685 1.00 0.40 C ATOM 978 CG ASP A 82 8.047 9.559 -2.638 1.00 1.34 C ATOM 979 OD1 ASP A 82 7.386 9.053 -1.708 1.00 2.17 O ATOM 980 OD2 ASP A 82 9.284 9.429 -2.748 1.00 2.08 O ATOM 0 H ASP A 82 6.082 8.271 -4.217 1.00 0.32 H new ATOM 0 HA ASP A 82 5.488 10.577 -2.577 1.00 0.36 H new ATOM 0 HB2 ASP A 82 7.625 10.048 -4.678 1.00 0.40 H new ATOM 0 HB3 ASP A 82 7.589 11.421 -3.588 1.00 0.40 H new ATOM 985 N TYR A 83 4.772 10.455 -5.740 1.00 0.43 N ATOM 986 CA TYR A 83 4.097 11.128 -6.834 1.00 0.50 C ATOM 987 C TYR A 83 2.637 11.309 -6.462 1.00 0.50 C ATOM 988 O TYR A 83 1.984 12.268 -6.872 1.00 0.56 O ATOM 989 CB TYR A 83 4.202 10.290 -8.100 1.00 0.53 C ATOM 990 CG TYR A 83 5.607 9.837 -8.388 1.00 1.40 C ATOM 991 CD1 TYR A 83 6.083 8.653 -7.852 1.00 2.31 C ATOM 992 CD2 TYR A 83 6.450 10.585 -9.193 1.00 2.33 C ATOM 993 CE1 TYR A 83 7.370 8.219 -8.111 1.00 3.41 C ATOM 994 CE2 TYR A 83 7.739 10.163 -9.459 1.00 3.45 C ATOM 995 CZ TYR A 83 8.194 8.978 -8.915 1.00 3.83 C ATOM 996 OH TYR A 83 9.477 8.552 -9.178 1.00 5.05 O ATOM 0 H TYR A 83 4.955 9.465 -5.906 1.00 0.43 H new ATOM 0 HA TYR A 83 4.561 12.098 -7.015 1.00 0.50 H new ATOM 0 HB2 TYR A 83 3.556 9.417 -8.006 1.00 0.53 H new ATOM 0 HB3 TYR A 83 3.832 10.870 -8.945 1.00 0.53 H new ATOM 0 HD1 TYR A 83 5.439 8.058 -7.221 1.00 2.31 H new ATOM 0 HD2 TYR A 83 6.095 11.512 -9.619 1.00 2.33 H new ATOM 0 HE1 TYR A 83 7.727 7.292 -7.687 1.00 3.41 H new ATOM 0 HE2 TYR A 83 8.386 10.756 -10.088 1.00 3.45 H new ATOM 0 HH TYR A 83 9.924 9.200 -9.761 1.00 5.05 H new ATOM 1006 N TYR A 84 2.140 10.367 -5.664 1.00 0.44 N ATOM 1007 CA TYR A 84 0.761 10.403 -5.207 1.00 0.45 C ATOM 1008 C TYR A 84 0.617 11.324 -4.014 1.00 0.47 C ATOM 1009 O TYR A 84 1.139 11.033 -2.939 1.00 0.48 O ATOM 1010 CB TYR A 84 0.280 9.001 -4.820 1.00 0.41 C ATOM 1011 CG TYR A 84 -0.625 8.415 -5.855 1.00 0.39 C ATOM 1012 CD1 TYR A 84 -1.871 8.968 -6.066 1.00 1.27 C ATOM 1013 CD2 TYR A 84 -0.229 7.342 -6.636 1.00 1.23 C ATOM 1014 CE1 TYR A 84 -2.714 8.473 -7.022 1.00 1.29 C ATOM 1015 CE2 TYR A 84 -1.060 6.833 -7.612 1.00 1.23 C ATOM 1016 CZ TYR A 84 -2.311 7.403 -7.804 1.00 0.40 C ATOM 1017 OH TYR A 84 -3.153 6.913 -8.777 1.00 0.41 O ATOM 0 H TYR A 84 2.676 9.570 -5.322 1.00 0.44 H new ATOM 0 HA TYR A 84 0.150 10.778 -6.028 1.00 0.45 H new ATOM 0 HB2 TYR A 84 1.141 8.348 -4.680 1.00 0.41 H new ATOM 0 HB3 TYR A 84 -0.243 9.048 -3.865 1.00 0.41 H new ATOM 0 HD1 TYR A 84 -2.187 9.808 -5.465 1.00 1.27 H new ATOM 0 HD2 TYR A 84 0.743 6.898 -6.479 1.00 1.23 H new ATOM 0 HE1 TYR A 84 -3.689 8.914 -7.167 1.00 1.29 H new ATOM 0 HE2 TYR A 84 -0.741 6.000 -8.220 1.00 1.23 H new ATOM 0 HH TYR A 84 -2.666 6.839 -9.624 1.00 0.41 H new ATOM 1027 N PRO A 85 -0.116 12.440 -4.168 1.00 0.54 N ATOM 1028 CA PRO A 85 -0.331 13.372 -3.071 1.00 0.58 C ATOM 1029 C PRO A 85 -0.678 12.622 -1.806 1.00 0.53 C ATOM 1030 O PRO A 85 -0.166 12.924 -0.726 1.00 0.54 O ATOM 1031 CB PRO A 85 -1.511 14.216 -3.549 1.00 0.67 C ATOM 1032 CG PRO A 85 -1.415 14.192 -5.036 1.00 0.79 C ATOM 1033 CD PRO A 85 -0.809 12.861 -5.402 1.00 0.63 C ATOM 0 HA PRO A 85 0.547 13.973 -2.835 1.00 0.58 H new ATOM 0 HB2 PRO A 85 -2.459 13.801 -3.207 1.00 0.67 H new ATOM 0 HB3 PRO A 85 -1.451 15.234 -3.165 1.00 0.67 H new ATOM 0 HG2 PRO A 85 -2.399 14.309 -5.491 1.00 0.79 H new ATOM 0 HG3 PRO A 85 -0.797 15.013 -5.399 1.00 0.79 H new ATOM 0 HD2 PRO A 85 -1.572 12.141 -5.698 1.00 0.63 H new ATOM 0 HD3 PRO A 85 -0.116 12.953 -6.239 1.00 0.63 H new ATOM 1041 N ASP A 86 -1.525 11.611 -1.951 1.00 0.51 N ATOM 1042 CA ASP A 86 -1.902 10.807 -0.815 1.00 0.51 C ATOM 1043 C ASP A 86 -0.705 10.005 -0.303 1.00 0.58 C ATOM 1044 O ASP A 86 -0.299 9.012 -0.905 1.00 1.19 O ATOM 1045 CB ASP A 86 -3.070 9.888 -1.178 1.00 0.50 C ATOM 1046 CG ASP A 86 -4.410 10.590 -1.074 1.00 0.67 C ATOM 1047 OD1 ASP A 86 -4.482 11.634 -0.392 1.00 1.36 O ATOM 1048 OD2 ASP A 86 -5.387 10.096 -1.674 1.00 1.33 O ATOM 0 H ASP A 86 -1.954 11.337 -2.835 1.00 0.51 H new ATOM 0 HA ASP A 86 -2.229 11.467 -0.012 1.00 0.51 H new ATOM 0 HB2 ASP A 86 -2.935 9.517 -2.194 1.00 0.50 H new ATOM 0 HB3 ASP A 86 -3.065 9.020 -0.518 1.00 0.50 H new ATOM 1053 N LEU A 87 -0.163 10.456 0.824 1.00 0.47 N ATOM 1054 CA LEU A 87 0.975 9.809 1.486 1.00 0.40 C ATOM 1055 C LEU A 87 2.294 9.927 0.711 1.00 0.34 C ATOM 1056 O LEU A 87 3.203 9.112 0.893 1.00 0.31 O ATOM 1057 CB LEU A 87 0.671 8.333 1.748 1.00 0.42 C ATOM 1058 CG LEU A 87 -0.228 8.046 2.958 1.00 0.72 C ATOM 1059 CD1 LEU A 87 -1.648 8.544 2.720 1.00 1.24 C ATOM 1060 CD2 LEU A 87 -0.230 6.556 3.270 1.00 1.62 C ATOM 0 H LEU A 87 -0.500 11.287 1.311 1.00 0.47 H new ATOM 0 HA LEU A 87 1.112 10.344 2.426 1.00 0.40 H new ATOM 0 HB2 LEU A 87 0.198 7.915 0.859 1.00 0.42 H new ATOM 0 HB3 LEU A 87 1.615 7.805 1.886 1.00 0.42 H new ATOM 0 HG LEU A 87 0.175 8.585 3.816 1.00 0.72 H new ATOM 0 HD11 LEU A 87 -2.261 8.326 3.594 1.00 1.24 H new ATOM 0 HD12 LEU A 87 -1.632 9.620 2.547 1.00 1.24 H new ATOM 0 HD13 LEU A 87 -2.068 8.042 1.848 1.00 1.24 H new ATOM 0 HD21 LEU A 87 -0.871 6.365 4.130 1.00 1.62 H new ATOM 0 HD22 LEU A 87 -0.605 6.004 2.408 1.00 1.62 H new ATOM 0 HD23 LEU A 87 0.785 6.230 3.495 1.00 1.62 H new ATOM 1072 N LYS A 88 2.426 10.934 -0.137 1.00 0.35 N ATOM 1073 CA LYS A 88 3.679 11.111 -0.871 1.00 0.33 C ATOM 1074 C LYS A 88 4.858 11.238 0.084 1.00 0.33 C ATOM 1075 O LYS A 88 4.835 12.048 1.011 1.00 0.57 O ATOM 1076 CB LYS A 88 3.615 12.332 -1.790 1.00 0.44 C ATOM 1077 CG LYS A 88 3.363 13.639 -1.058 1.00 1.19 C ATOM 1078 CD LYS A 88 3.311 14.811 -2.025 1.00 1.20 C ATOM 1079 CE LYS A 88 3.243 16.140 -1.290 1.00 1.92 C ATOM 1080 NZ LYS A 88 3.516 17.289 -2.198 1.00 2.39 N ATOM 0 H LYS A 88 1.705 11.628 -0.335 1.00 0.35 H new ATOM 0 HA LYS A 88 3.824 10.224 -1.487 1.00 0.33 H new ATOM 0 HB2 LYS A 88 4.552 12.410 -2.341 1.00 0.44 H new ATOM 0 HB3 LYS A 88 2.825 12.180 -2.525 1.00 0.44 H new ATOM 0 HG2 LYS A 88 2.424 13.576 -0.509 1.00 1.19 H new ATOM 0 HG3 LYS A 88 4.151 13.805 -0.324 1.00 1.19 H new ATOM 0 HD2 LYS A 88 4.192 14.794 -2.666 1.00 1.20 H new ATOM 0 HD3 LYS A 88 2.442 14.709 -2.675 1.00 1.20 H new ATOM 0 HE2 LYS A 88 2.256 16.257 -0.842 1.00 1.92 H new ATOM 0 HE3 LYS A 88 3.966 16.142 -0.474 1.00 1.92 H new ATOM 0 HZ1 LYS A 88 3.461 18.177 -1.660 1.00 2.39 H new ATOM 0 HZ2 LYS A 88 4.467 17.190 -2.606 1.00 2.39 H new ATOM 0 HZ3 LYS A 88 2.811 17.303 -2.962 1.00 2.39 H new ATOM 1094 N GLY A 89 5.898 10.454 -0.166 1.00 0.33 N ATOM 1095 CA GLY A 89 7.081 10.517 0.663 1.00 0.37 C ATOM 1096 C GLY A 89 7.051 9.583 1.858 1.00 0.28 C ATOM 1097 O GLY A 89 7.837 9.760 2.790 1.00 0.29 O ATOM 0 H GLY A 89 5.942 9.777 -0.928 1.00 0.33 H new ATOM 0 HA2 GLY A 89 7.952 10.280 0.052 1.00 0.37 H new ATOM 0 HA3 GLY A 89 7.209 11.540 1.018 1.00 0.37 H new ATOM 1101 N ARG A 90 6.146 8.604 1.869 1.00 0.24 N ATOM 1102 CA ARG A 90 6.071 7.700 3.017 1.00 0.22 C ATOM 1103 C ARG A 90 5.753 6.289 2.668 1.00 0.20 C ATOM 1104 O ARG A 90 6.415 5.374 3.148 1.00 0.21 O ATOM 1105 CB ARG A 90 5.006 8.200 3.987 1.00 0.26 C ATOM 1106 CG ARG A 90 3.648 8.420 3.312 1.00 0.29 C ATOM 1107 CD ARG A 90 2.581 8.821 4.319 1.00 0.39 C ATOM 1108 NE ARG A 90 3.083 9.752 5.331 1.00 0.81 N ATOM 1109 CZ ARG A 90 3.084 11.077 5.192 1.00 1.14 C ATOM 1110 NH1 ARG A 90 2.679 11.635 4.059 1.00 1.59 N ATOM 1111 NH2 ARG A 90 3.506 11.848 6.184 1.00 1.52 N ATOM 0 H ARG A 90 5.475 8.419 1.123 1.00 0.24 H new ATOM 0 HA ARG A 90 7.067 7.703 3.460 1.00 0.22 H new ATOM 0 HB2 ARG A 90 4.892 7.480 4.798 1.00 0.26 H new ATOM 0 HB3 ARG A 90 5.340 9.135 4.436 1.00 0.26 H new ATOM 0 HG2 ARG A 90 3.741 9.195 2.551 1.00 0.29 H new ATOM 0 HG3 ARG A 90 3.343 7.507 2.801 1.00 0.29 H new ATOM 0 HD2 ARG A 90 1.744 9.279 3.793 1.00 0.39 H new ATOM 0 HD3 ARG A 90 2.197 7.927 4.811 1.00 0.39 H new ATOM 0 HE ARG A 90 3.455 9.362 6.197 1.00 0.81 H new ATOM 0 HH11 ARG A 90 2.364 11.049 3.286 1.00 1.59 H new ATOM 0 HH12 ARG A 90 2.683 12.650 3.961 1.00 1.59 H new ATOM 0 HH21 ARG A 90 3.830 11.427 7.055 1.00 1.52 H new ATOM 0 HH22 ARG A 90 3.506 12.862 6.077 1.00 1.52 H new ATOM 1125 N VAL A 91 4.754 6.088 1.871 1.00 0.19 N ATOM 1126 CA VAL A 91 4.402 4.751 1.541 1.00 0.18 C ATOM 1127 C VAL A 91 5.357 4.288 0.467 1.00 0.18 C ATOM 1128 O VAL A 91 5.102 4.354 -0.730 1.00 0.18 O ATOM 1129 CB VAL A 91 2.963 4.688 1.081 1.00 0.19 C ATOM 1130 CG1 VAL A 91 2.775 5.616 -0.109 1.00 0.20 C ATOM 1131 CG2 VAL A 91 2.578 3.252 0.790 1.00 0.20 C ATOM 0 H VAL A 91 4.180 6.816 1.446 1.00 0.19 H new ATOM 0 HA VAL A 91 4.481 4.095 2.408 1.00 0.18 H new ATOM 0 HB VAL A 91 2.291 5.035 1.866 1.00 0.19 H new ATOM 0 HG11 VAL A 91 1.738 5.573 -0.444 1.00 0.20 H new ATOM 0 HG12 VAL A 91 3.020 6.637 0.184 1.00 0.20 H new ATOM 0 HG13 VAL A 91 3.432 5.304 -0.921 1.00 0.20 H new ATOM 0 HG21 VAL A 91 1.540 3.213 0.459 1.00 0.20 H new ATOM 0 HG22 VAL A 91 3.224 2.854 0.007 1.00 0.20 H new ATOM 0 HG23 VAL A 91 2.693 2.654 1.694 1.00 0.20 H new ATOM 1141 N HIS A 92 6.502 3.895 0.959 1.00 0.18 N ATOM 1142 CA HIS A 92 7.622 3.487 0.156 1.00 0.20 C ATOM 1143 C HIS A 92 7.720 1.958 0.024 1.00 0.18 C ATOM 1144 O HIS A 92 7.704 1.248 1.025 1.00 0.19 O ATOM 1145 CB HIS A 92 8.834 4.114 0.850 1.00 0.22 C ATOM 1146 CG HIS A 92 9.163 5.469 0.333 1.00 0.24 C ATOM 1147 ND1 HIS A 92 10.187 5.930 -0.422 1.00 0.24 N flip ATOM 1148 CD2 HIS A 92 8.375 6.557 0.618 1.00 0.28 C flip ATOM 1149 CE1 HIS A 92 9.993 7.283 -0.571 1.00 0.27 C flip ATOM 1150 NE2 HIS A 92 8.888 7.629 0.069 1.00 0.29 N flip ATOM 0 H HIS A 92 6.686 3.849 1.961 1.00 0.18 H new ATOM 0 HA HIS A 92 7.537 3.823 -0.878 1.00 0.20 H new ATOM 0 HB2 HIS A 92 8.640 4.177 1.921 1.00 0.22 H new ATOM 0 HB3 HIS A 92 9.698 3.462 0.720 1.00 0.22 H new ATOM 0 HD1 HIS A 92 10.955 5.380 -0.807 1.00 0.24 H new ATOM 0 HD2 HIS A 92 7.469 6.532 1.206 1.00 0.28 H new ATOM 0 HE1 HIS A 92 10.637 7.953 -1.120 1.00 0.27 H new ATOM 1159 N PHE A 93 7.816 1.449 -1.220 1.00 0.18 N ATOM 1160 CA PHE A 93 7.901 -0.004 -1.432 1.00 0.18 C ATOM 1161 C PHE A 93 9.250 -0.529 -0.972 1.00 0.20 C ATOM 1162 O PHE A 93 10.299 -0.098 -1.452 1.00 0.21 O ATOM 1163 CB PHE A 93 7.708 -0.410 -2.903 1.00 0.19 C ATOM 1164 CG PHE A 93 6.330 -0.201 -3.505 1.00 0.19 C ATOM 1165 CD1 PHE A 93 5.191 -0.935 -3.105 1.00 1.23 C ATOM 1166 CD2 PHE A 93 6.192 0.716 -4.534 1.00 1.19 C ATOM 1167 CE1 PHE A 93 3.969 -0.726 -3.746 1.00 1.23 C ATOM 1168 CE2 PHE A 93 4.975 0.919 -5.158 1.00 1.19 C ATOM 1169 CZ PHE A 93 3.867 0.199 -4.769 1.00 0.22 C ATOM 0 H PHE A 93 7.836 2.009 -2.072 1.00 0.18 H new ATOM 0 HA PHE A 93 7.091 -0.439 -0.847 1.00 0.18 H new ATOM 0 HB2 PHE A 93 8.427 0.146 -3.504 1.00 0.19 H new ATOM 0 HB3 PHE A 93 7.962 -1.466 -2.998 1.00 0.19 H new ATOM 0 HD1 PHE A 93 5.266 -1.656 -2.305 1.00 1.23 H new ATOM 0 HD2 PHE A 93 7.053 1.284 -4.855 1.00 1.19 H new ATOM 0 HE1 PHE A 93 3.099 -1.289 -3.442 1.00 1.23 H new ATOM 0 HE2 PHE A 93 4.893 1.645 -5.953 1.00 1.19 H new ATOM 0 HZ PHE A 93 2.919 0.357 -5.263 1.00 0.22 H new ATOM 1179 N THR A 94 9.209 -1.468 -0.037 1.00 0.22 N ATOM 1180 CA THR A 94 10.411 -2.076 0.506 1.00 0.26 C ATOM 1181 C THR A 94 11.001 -3.121 -0.446 1.00 0.27 C ATOM 1182 O THR A 94 11.516 -4.146 0.001 1.00 0.46 O ATOM 1183 CB THR A 94 10.090 -2.735 1.843 1.00 0.32 C ATOM 1184 OG1 THR A 94 9.483 -3.997 1.636 1.00 0.39 O ATOM 1185 CG2 THR A 94 9.165 -1.912 2.716 1.00 0.36 C ATOM 0 H THR A 94 8.343 -1.828 0.364 1.00 0.22 H new ATOM 0 HA THR A 94 11.151 -1.287 0.640 1.00 0.26 H new ATOM 0 HB THR A 94 11.046 -2.832 2.358 1.00 0.32 H new ATOM 0 HG1 THR A 94 10.135 -4.612 1.240 1.00 0.39 H new ATOM 0 HG21 THR A 94 8.980 -2.442 3.651 1.00 0.36 H new ATOM 0 HG22 THR A 94 9.628 -0.949 2.930 1.00 0.36 H new ATOM 0 HG23 THR A 94 8.220 -1.753 2.196 1.00 0.36 H new ATOM 1193 N SER A 95 10.919 -2.879 -1.754 1.00 0.28 N ATOM 1194 CA SER A 95 11.445 -3.833 -2.724 1.00 0.33 C ATOM 1195 C SER A 95 11.963 -3.134 -3.976 1.00 0.36 C ATOM 1196 O SER A 95 11.253 -2.352 -4.608 1.00 0.39 O ATOM 1197 CB SER A 95 10.363 -4.847 -3.114 1.00 0.37 C ATOM 1198 OG SER A 95 9.733 -5.387 -1.965 1.00 1.20 O ATOM 0 H SER A 95 10.499 -2.043 -2.160 1.00 0.28 H new ATOM 0 HA SER A 95 12.280 -4.351 -2.252 1.00 0.33 H new ATOM 0 HB2 SER A 95 9.619 -4.364 -3.748 1.00 0.37 H new ATOM 0 HB3 SER A 95 10.808 -5.651 -3.701 1.00 0.37 H new ATOM 0 HG SER A 95 8.905 -5.840 -2.228 1.00 1.20 H new ATOM 1204 N ASN A 96 13.204 -3.446 -4.336 1.00 0.48 N ATOM 1205 CA ASN A 96 13.830 -2.879 -5.524 1.00 0.60 C ATOM 1206 C ASN A 96 13.568 -3.772 -6.736 1.00 0.63 C ATOM 1207 O ASN A 96 14.097 -3.538 -7.822 1.00 0.84 O ATOM 1208 CB ASN A 96 15.335 -2.714 -5.309 1.00 0.77 C ATOM 1209 CG ASN A 96 15.980 -1.859 -6.381 1.00 1.38 C ATOM 1210 OD1 ASN A 96 15.294 -1.203 -7.164 1.00 2.22 O ATOM 1211 ND2 ASN A 96 17.308 -1.861 -6.422 1.00 1.85 N ATOM 0 H ASN A 96 13.799 -4.093 -3.818 1.00 0.48 H new ATOM 0 HA ASN A 96 13.395 -1.897 -5.708 1.00 0.60 H new ATOM 0 HB2 ASN A 96 15.513 -2.263 -4.333 1.00 0.77 H new ATOM 0 HB3 ASN A 96 15.808 -3.696 -5.298 1.00 0.77 H new ATOM 0 HD21 ASN A 96 17.797 -1.304 -7.122 1.00 1.85 H new ATOM 0 HD22 ASN A 96 17.838 -2.420 -5.753 1.00 1.85 H new ATOM 1218 N ASP A 97 12.740 -4.795 -6.532 1.00 0.53 N ATOM 1219 CA ASP A 97 12.384 -5.736 -7.578 1.00 0.56 C ATOM 1220 C ASP A 97 10.945 -6.185 -7.375 1.00 0.48 C ATOM 1221 O ASP A 97 10.674 -7.345 -7.067 1.00 0.45 O ATOM 1222 CB ASP A 97 13.322 -6.945 -7.561 1.00 0.63 C ATOM 1223 CG ASP A 97 14.727 -6.600 -8.014 1.00 1.38 C ATOM 1224 OD1 ASP A 97 14.879 -5.644 -8.804 1.00 2.07 O ATOM 1225 OD2 ASP A 97 15.676 -7.289 -7.584 1.00 2.14 O ATOM 0 H ASP A 97 12.299 -4.990 -5.633 1.00 0.53 H new ATOM 0 HA ASP A 97 12.482 -5.247 -8.547 1.00 0.56 H new ATOM 0 HB2 ASP A 97 13.360 -7.356 -6.552 1.00 0.63 H new ATOM 0 HB3 ASP A 97 12.917 -7.724 -8.207 1.00 0.63 H new ATOM 1230 N LEU A 98 10.033 -5.239 -7.533 1.00 0.46 N ATOM 1231 CA LEU A 98 8.611 -5.496 -7.352 1.00 0.44 C ATOM 1232 C LEU A 98 8.113 -6.564 -8.319 1.00 0.48 C ATOM 1233 O LEU A 98 7.299 -7.410 -7.951 1.00 0.46 O ATOM 1234 CB LEU A 98 7.799 -4.210 -7.535 1.00 0.51 C ATOM 1235 CG LEU A 98 7.956 -3.170 -6.422 1.00 0.87 C ATOM 1236 CD1 LEU A 98 9.031 -2.153 -6.773 1.00 1.41 C ATOM 1237 CD2 LEU A 98 6.630 -2.471 -6.161 1.00 1.49 C ATOM 0 H LEU A 98 10.254 -4.277 -7.789 1.00 0.46 H new ATOM 0 HA LEU A 98 8.472 -5.861 -6.334 1.00 0.44 H new ATOM 0 HB2 LEU A 98 8.086 -3.751 -8.481 1.00 0.51 H new ATOM 0 HB3 LEU A 98 6.745 -4.475 -7.616 1.00 0.51 H new ATOM 0 HG LEU A 98 8.265 -3.688 -5.514 1.00 0.87 H new ATOM 0 HD11 LEU A 98 9.122 -1.426 -5.966 1.00 1.41 H new ATOM 0 HD12 LEU A 98 9.984 -2.664 -6.910 1.00 1.41 H new ATOM 0 HD13 LEU A 98 8.759 -1.639 -7.695 1.00 1.41 H new ATOM 0 HD21 LEU A 98 6.757 -1.735 -5.367 1.00 1.49 H new ATOM 0 HD22 LEU A 98 6.297 -1.971 -7.070 1.00 1.49 H new ATOM 0 HD23 LEU A 98 5.885 -3.206 -5.858 1.00 1.49 H new ATOM 1249 N LYS A 99 8.604 -6.527 -9.554 1.00 0.55 N ATOM 1250 CA LYS A 99 8.196 -7.504 -10.564 1.00 0.62 C ATOM 1251 C LYS A 99 8.514 -8.932 -10.145 1.00 0.58 C ATOM 1252 O LYS A 99 8.118 -9.893 -10.805 1.00 0.63 O ATOM 1253 CB LYS A 99 8.816 -7.192 -11.928 1.00 0.75 C ATOM 1254 CG LYS A 99 8.246 -5.945 -12.587 1.00 0.84 C ATOM 1255 CD LYS A 99 8.895 -5.681 -13.938 1.00 1.12 C ATOM 1256 CE LYS A 99 8.328 -4.434 -14.599 1.00 1.45 C ATOM 1257 NZ LYS A 99 7.402 -4.767 -15.717 1.00 2.04 N ATOM 0 H LYS A 99 9.281 -5.837 -9.880 1.00 0.55 H new ATOM 0 HA LYS A 99 7.113 -7.423 -10.654 1.00 0.62 H new ATOM 0 HB2 LYS A 99 9.892 -7.070 -11.809 1.00 0.75 H new ATOM 0 HB3 LYS A 99 8.664 -8.044 -12.590 1.00 0.75 H new ATOM 0 HG2 LYS A 99 7.170 -6.060 -12.716 1.00 0.84 H new ATOM 0 HG3 LYS A 99 8.399 -5.085 -11.935 1.00 0.84 H new ATOM 0 HD2 LYS A 99 9.971 -5.567 -13.809 1.00 1.12 H new ATOM 0 HD3 LYS A 99 8.741 -6.541 -14.590 1.00 1.12 H new ATOM 0 HE2 LYS A 99 7.799 -3.838 -13.855 1.00 1.45 H new ATOM 0 HE3 LYS A 99 9.146 -3.820 -14.976 1.00 1.45 H new ATOM 0 HZ1 LYS A 99 7.038 -3.889 -16.140 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 7.913 -5.314 -16.440 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 6.608 -5.331 -15.353 1.00 2.04 H new ATOM 1271 N SER A 100 9.211 -9.055 -9.041 1.00 0.50 N ATOM 1272 CA SER A 100 9.579 -10.354 -8.495 1.00 0.49 C ATOM 1273 C SER A 100 8.420 -10.946 -7.691 1.00 0.42 C ATOM 1274 O SER A 100 8.476 -12.098 -7.261 1.00 0.44 O ATOM 1275 CB SER A 100 10.822 -10.231 -7.612 1.00 0.50 C ATOM 1276 OG SER A 100 11.929 -9.748 -8.353 1.00 1.40 O ATOM 0 H SER A 100 9.542 -8.263 -8.491 1.00 0.50 H new ATOM 0 HA SER A 100 9.805 -11.022 -9.326 1.00 0.49 H new ATOM 0 HB2 SER A 100 10.616 -9.557 -6.780 1.00 0.50 H new ATOM 0 HB3 SER A 100 11.064 -11.203 -7.183 1.00 0.50 H new ATOM 0 HG SER A 100 12.741 -9.812 -7.808 1.00 1.40 H new ATOM 1282 N GLY A 101 7.366 -10.150 -7.500 1.00 0.38 N ATOM 1283 CA GLY A 101 6.208 -10.614 -6.761 1.00 0.35 C ATOM 1284 C GLY A 101 5.979 -9.853 -5.467 1.00 0.31 C ATOM 1285 O GLY A 101 4.872 -9.862 -4.930 1.00 0.31 O ATOM 0 H GLY A 101 7.297 -9.193 -7.846 1.00 0.38 H new ATOM 0 HA2 GLY A 101 5.323 -10.522 -7.390 1.00 0.35 H new ATOM 0 HA3 GLY A 101 6.330 -11.673 -6.535 1.00 0.35 H new ATOM 1289 N ASP A 102 7.017 -9.189 -4.964 1.00 0.32 N ATOM 1290 CA ASP A 102 6.895 -8.423 -3.727 1.00 0.29 C ATOM 1291 C ASP A 102 6.718 -6.941 -4.032 1.00 0.31 C ATOM 1292 O ASP A 102 7.661 -6.264 -4.436 1.00 0.36 O ATOM 1293 CB ASP A 102 8.126 -8.626 -2.848 1.00 0.32 C ATOM 1294 CG ASP A 102 8.197 -10.024 -2.265 1.00 0.71 C ATOM 1295 OD1 ASP A 102 7.150 -10.702 -2.219 1.00 1.42 O ATOM 1296 OD2 ASP A 102 9.302 -10.441 -1.858 1.00 1.44 O ATOM 0 H ASP A 102 7.944 -9.166 -5.389 1.00 0.32 H new ATOM 0 HA ASP A 102 6.016 -8.781 -3.191 1.00 0.29 H new ATOM 0 HB2 ASP A 102 9.024 -8.434 -3.435 1.00 0.32 H new ATOM 0 HB3 ASP A 102 8.114 -7.898 -2.037 1.00 0.32 H new ATOM 1301 N ALA A 103 5.501 -6.449 -3.852 1.00 0.31 N ATOM 1302 CA ALA A 103 5.193 -5.050 -4.129 1.00 0.34 C ATOM 1303 C ALA A 103 4.851 -4.263 -2.859 1.00 0.28 C ATOM 1304 O ALA A 103 4.155 -3.257 -2.923 1.00 0.30 O ATOM 1305 CB ALA A 103 4.046 -4.977 -5.126 1.00 0.43 C ATOM 0 H ALA A 103 4.709 -6.997 -3.515 1.00 0.31 H new ATOM 0 HA ALA A 103 6.085 -4.587 -4.552 1.00 0.34 H new ATOM 0 HB1 ALA A 103 3.812 -3.933 -5.336 1.00 0.43 H new ATOM 0 HB2 ALA A 103 4.335 -5.477 -6.050 1.00 0.43 H new ATOM 0 HB3 ALA A 103 3.168 -5.468 -4.707 1.00 0.43 H new ATOM 1311 N SER A 104 5.305 -4.750 -1.710 1.00 0.25 N ATOM 1312 CA SER A 104 5.024 -4.105 -0.421 1.00 0.21 C ATOM 1313 C SER A 104 5.531 -2.675 -0.294 1.00 0.18 C ATOM 1314 O SER A 104 6.534 -2.299 -0.894 1.00 0.21 O ATOM 1315 CB SER A 104 5.547 -4.958 0.734 1.00 0.22 C ATOM 1316 OG SER A 104 5.112 -6.301 0.614 1.00 1.04 O ATOM 0 H SER A 104 5.873 -5.594 -1.639 1.00 0.25 H new ATOM 0 HA SER A 104 3.938 -4.032 -0.373 1.00 0.21 H new ATOM 0 HB2 SER A 104 6.636 -4.925 0.750 1.00 0.22 H new ATOM 0 HB3 SER A 104 5.202 -4.544 1.681 1.00 0.22 H new ATOM 0 HG SER A 104 5.460 -6.826 1.365 1.00 1.04 H new ATOM 1322 N ILE A 105 4.812 -1.897 0.533 1.00 0.18 N ATOM 1323 CA ILE A 105 5.140 -0.500 0.804 1.00 0.17 C ATOM 1324 C ILE A 105 5.051 -0.187 2.284 1.00 0.17 C ATOM 1325 O ILE A 105 4.072 -0.527 2.945 1.00 0.22 O ATOM 1326 CB ILE A 105 4.194 0.495 0.089 1.00 0.19 C ATOM 1327 CG1 ILE A 105 2.883 -0.170 -0.340 1.00 0.27 C ATOM 1328 CG2 ILE A 105 4.878 1.159 -1.087 1.00 0.31 C ATOM 1329 CD1 ILE A 105 1.725 0.183 0.567 1.00 0.22 C ATOM 0 H ILE A 105 3.985 -2.227 1.031 1.00 0.18 H new ATOM 0 HA ILE A 105 6.157 -0.378 0.430 1.00 0.17 H new ATOM 0 HB ILE A 105 3.943 1.271 0.812 1.00 0.19 H new ATOM 0 HG12 ILE A 105 2.645 0.131 -1.360 1.00 0.27 H new ATOM 0 HG13 ILE A 105 3.015 -1.252 -0.349 1.00 0.27 H new ATOM 0 HG21 ILE A 105 4.186 1.851 -1.567 1.00 0.31 H new ATOM 0 HG22 ILE A 105 5.754 1.705 -0.737 1.00 0.31 H new ATOM 0 HG23 ILE A 105 5.187 0.399 -1.805 1.00 0.31 H new ATOM 0 HD11 ILE A 105 0.822 -0.316 0.215 1.00 0.22 H new ATOM 0 HD12 ILE A 105 1.947 -0.142 1.583 1.00 0.22 H new ATOM 0 HD13 ILE A 105 1.571 1.262 0.557 1.00 0.22 H new ATOM 1341 N ASN A 106 6.058 0.507 2.789 1.00 0.19 N ATOM 1342 CA ASN A 106 6.057 0.913 4.179 1.00 0.21 C ATOM 1343 C ASN A 106 5.818 2.411 4.252 1.00 0.20 C ATOM 1344 O ASN A 106 6.204 3.139 3.346 1.00 0.21 O ATOM 1345 CB ASN A 106 7.371 0.531 4.863 1.00 0.24 C ATOM 1346 CG ASN A 106 8.562 1.276 4.289 1.00 0.49 C ATOM 1347 OD1 ASN A 106 8.424 2.059 3.349 1.00 1.15 O ATOM 1348 ND2 ASN A 106 9.740 1.034 4.851 1.00 1.06 N ATOM 0 H ASN A 106 6.880 0.798 2.259 1.00 0.19 H new ATOM 0 HA ASN A 106 5.258 0.394 4.708 1.00 0.21 H new ATOM 0 HB2 ASN A 106 7.296 0.740 5.930 1.00 0.24 H new ATOM 0 HB3 ASN A 106 7.533 -0.542 4.759 1.00 0.24 H new ATOM 0 HD21 ASN A 106 10.576 1.505 4.506 1.00 1.06 H new ATOM 0 HD22 ASN A 106 9.809 0.377 5.628 1.00 1.06 H new ATOM 1355 N VAL A 107 5.166 2.871 5.311 1.00 0.22 N ATOM 1356 CA VAL A 107 4.869 4.281 5.454 1.00 0.22 C ATOM 1357 C VAL A 107 5.907 4.971 6.312 1.00 0.23 C ATOM 1358 O VAL A 107 6.132 4.593 7.451 1.00 0.24 O ATOM 1359 CB VAL A 107 3.504 4.510 6.106 1.00 0.24 C ATOM 1360 CG1 VAL A 107 2.727 5.589 5.372 1.00 0.27 C ATOM 1361 CG2 VAL A 107 2.705 3.220 6.194 1.00 0.27 C ATOM 0 H VAL A 107 4.835 2.287 6.079 1.00 0.22 H new ATOM 0 HA VAL A 107 4.870 4.696 4.446 1.00 0.22 H new ATOM 0 HB VAL A 107 3.678 4.855 7.125 1.00 0.24 H new ATOM 0 HG11 VAL A 107 1.760 5.733 5.855 1.00 0.27 H new ATOM 0 HG12 VAL A 107 3.288 6.523 5.398 1.00 0.27 H new ATOM 0 HG13 VAL A 107 2.574 5.286 4.336 1.00 0.27 H new ATOM 0 HG21 VAL A 107 1.741 3.420 6.662 1.00 0.27 H new ATOM 0 HG22 VAL A 107 2.546 2.822 5.192 1.00 0.27 H new ATOM 0 HG23 VAL A 107 3.254 2.492 6.791 1.00 0.27 H new ATOM 1371 N THR A 108 6.518 5.991 5.756 1.00 0.24 N ATOM 1372 CA THR A 108 7.539 6.758 6.469 1.00 0.26 C ATOM 1373 C THR A 108 6.910 7.869 7.313 1.00 0.27 C ATOM 1374 O THR A 108 5.924 8.486 6.911 1.00 0.27 O ATOM 1375 CB THR A 108 8.558 7.385 5.498 1.00 0.28 C ATOM 1376 OG1 THR A 108 8.087 8.630 5.014 1.00 0.29 O ATOM 1377 CG2 THR A 108 8.893 6.525 4.289 1.00 0.27 C ATOM 0 H THR A 108 6.332 6.318 4.808 1.00 0.24 H new ATOM 0 HA THR A 108 8.056 6.056 7.123 1.00 0.26 H new ATOM 0 HB THR A 108 9.465 7.494 6.092 1.00 0.28 H new ATOM 0 HG1 THR A 108 8.427 8.778 4.107 1.00 0.29 H new ATOM 0 HG21 THR A 108 9.617 7.045 3.662 1.00 0.27 H new ATOM 0 HG22 THR A 108 9.317 5.578 4.623 1.00 0.27 H new ATOM 0 HG23 THR A 108 7.986 6.335 3.715 1.00 0.27 H new ATOM 1385 N ASN A 109 7.512 8.135 8.470 1.00 0.30 N ATOM 1386 CA ASN A 109 7.038 9.196 9.363 1.00 0.33 C ATOM 1387 C ASN A 109 5.570 9.014 9.749 1.00 0.29 C ATOM 1388 O ASN A 109 4.735 9.872 9.461 1.00 0.29 O ATOM 1389 CB ASN A 109 7.232 10.563 8.703 1.00 0.36 C ATOM 1390 CG ASN A 109 7.089 11.707 9.689 1.00 0.78 C ATOM 1391 OD1 ASN A 109 7.500 11.600 10.844 1.00 1.52 O ATOM 1392 ND2 ASN A 109 6.501 12.808 9.237 1.00 1.43 N ATOM 0 H ASN A 109 8.330 7.631 8.814 1.00 0.30 H new ATOM 0 HA ASN A 109 7.629 9.138 10.277 1.00 0.33 H new ATOM 0 HB2 ASN A 109 8.219 10.605 8.243 1.00 0.36 H new ATOM 0 HB3 ASN A 109 6.502 10.684 7.902 1.00 0.36 H new ATOM 0 HD21 ASN A 109 6.375 13.609 9.855 1.00 1.43 H new ATOM 0 HD22 ASN A 109 6.175 12.853 8.271 1.00 1.43 H new ATOM 1399 N LEU A 110 5.258 7.899 10.404 1.00 0.30 N ATOM 1400 CA LEU A 110 3.887 7.619 10.829 1.00 0.34 C ATOM 1401 C LEU A 110 3.235 8.834 11.488 1.00 0.41 C ATOM 1402 O LEU A 110 3.902 9.820 11.804 1.00 1.02 O ATOM 1403 CB LEU A 110 3.855 6.428 11.786 1.00 0.42 C ATOM 1404 CG LEU A 110 3.584 5.078 11.124 1.00 0.37 C ATOM 1405 CD1 LEU A 110 3.974 3.942 12.053 1.00 0.43 C ATOM 1406 CD2 LEU A 110 2.117 4.969 10.725 1.00 0.50 C ATOM 0 H LEU A 110 5.933 7.176 10.652 1.00 0.30 H new ATOM 0 HA LEU A 110 3.315 7.377 9.933 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.810 6.375 12.309 1.00 0.42 H new ATOM 0 HB3 LEU A 110 3.089 6.607 12.540 1.00 0.42 H new ATOM 0 HG LEU A 110 4.192 5.004 10.222 1.00 0.37 H new ATOM 0 HD11 LEU A 110 3.774 2.988 11.565 1.00 0.43 H new ATOM 0 HD12 LEU A 110 5.036 4.013 12.289 1.00 0.43 H new ATOM 0 HD13 LEU A 110 3.393 4.008 12.973 1.00 0.43 H new ATOM 0 HD21 LEU A 110 1.939 4.002 10.255 1.00 0.50 H new ATOM 0 HD22 LEU A 110 1.491 5.062 11.612 1.00 0.50 H new ATOM 0 HD23 LEU A 110 1.871 5.765 10.022 1.00 0.50 H new ATOM 1418 N GLN A 111 1.927 8.743 11.697 1.00 0.65 N ATOM 1419 CA GLN A 111 1.163 9.813 12.324 1.00 0.68 C ATOM 1420 C GLN A 111 -0.297 9.403 12.490 1.00 0.53 C ATOM 1421 O GLN A 111 -0.767 8.469 11.840 1.00 0.47 O ATOM 1422 CB GLN A 111 1.264 11.103 11.507 1.00 0.76 C ATOM 1423 CG GLN A 111 0.968 10.917 10.031 1.00 1.40 C ATOM 1424 CD GLN A 111 1.277 12.156 9.214 1.00 1.43 C ATOM 1425 OE1 GLN A 111 2.272 12.839 9.455 1.00 1.23 O ATOM 1426 NE2 GLN A 111 0.425 12.451 8.239 1.00 2.13 N ATOM 0 H GLN A 111 1.369 7.929 11.438 1.00 0.65 H new ATOM 0 HA GLN A 111 1.586 9.998 13.311 1.00 0.68 H new ATOM 0 HB2 GLN A 111 0.571 11.837 11.917 1.00 0.76 H new ATOM 0 HB3 GLN A 111 2.267 11.515 11.618 1.00 0.76 H new ATOM 0 HG2 GLN A 111 1.553 10.080 9.650 1.00 1.40 H new ATOM 0 HG3 GLN A 111 -0.083 10.656 9.905 1.00 1.40 H new ATOM 0 HE21 GLN A 111 -0.387 11.857 8.074 1.00 2.13 H new ATOM 0 HE22 GLN A 111 0.583 13.272 7.655 1.00 2.13 H new ATOM 1435 N LEU A 112 -1.004 10.099 13.372 1.00 0.51 N ATOM 1436 CA LEU A 112 -2.407 9.803 13.638 1.00 0.46 C ATOM 1437 C LEU A 112 -3.256 9.948 12.380 1.00 0.35 C ATOM 1438 O LEU A 112 -4.242 9.235 12.204 1.00 0.35 O ATOM 1439 CB LEU A 112 -2.947 10.716 14.741 1.00 0.52 C ATOM 1440 CG LEU A 112 -2.397 10.434 16.142 1.00 1.08 C ATOM 1441 CD1 LEU A 112 -1.170 11.292 16.420 1.00 1.70 C ATOM 1442 CD2 LEU A 112 -3.471 10.668 17.197 1.00 1.64 C ATOM 0 H LEU A 112 -0.628 10.875 13.917 1.00 0.51 H new ATOM 0 HA LEU A 112 -2.468 8.767 13.970 1.00 0.46 H new ATOM 0 HB2 LEU A 112 -2.720 11.750 14.479 1.00 0.52 H new ATOM 0 HB3 LEU A 112 -4.033 10.625 14.768 1.00 0.52 H new ATOM 0 HG LEU A 112 -2.097 9.387 16.188 1.00 1.08 H new ATOM 0 HD11 LEU A 112 -0.794 11.077 17.420 1.00 1.70 H new ATOM 0 HD12 LEU A 112 -0.396 11.069 15.686 1.00 1.70 H new ATOM 0 HD13 LEU A 112 -1.440 12.346 16.353 1.00 1.70 H new ATOM 0 HD21 LEU A 112 -3.061 10.462 18.186 1.00 1.64 H new ATOM 0 HD22 LEU A 112 -3.806 11.704 17.152 1.00 1.64 H new ATOM 0 HD23 LEU A 112 -4.316 10.005 17.010 1.00 1.64 H new ATOM 1454 N SER A 113 -2.884 10.879 11.512 1.00 0.32 N ATOM 1455 CA SER A 113 -3.641 11.109 10.288 1.00 0.33 C ATOM 1456 C SER A 113 -3.415 9.998 9.271 1.00 0.31 C ATOM 1457 O SER A 113 -4.233 9.801 8.372 1.00 0.35 O ATOM 1458 CB SER A 113 -3.285 12.467 9.679 1.00 0.43 C ATOM 1459 OG SER A 113 -1.970 12.462 9.154 1.00 1.32 O ATOM 0 H SER A 113 -2.070 11.483 11.630 1.00 0.32 H new ATOM 0 HA SER A 113 -4.698 11.109 10.553 1.00 0.33 H new ATOM 0 HB2 SER A 113 -3.994 12.712 8.888 1.00 0.43 H new ATOM 0 HB3 SER A 113 -3.374 13.244 10.438 1.00 0.43 H new ATOM 0 HG SER A 113 -1.324 12.431 9.890 1.00 1.32 H new ATOM 1465 N ASP A 114 -2.329 9.254 9.425 1.00 0.30 N ATOM 1466 CA ASP A 114 -2.050 8.149 8.520 1.00 0.32 C ATOM 1467 C ASP A 114 -3.012 6.997 8.794 1.00 0.27 C ATOM 1468 O ASP A 114 -3.213 6.128 7.946 1.00 0.28 O ATOM 1469 CB ASP A 114 -0.605 7.667 8.665 1.00 0.38 C ATOM 1470 CG ASP A 114 0.397 8.640 8.074 1.00 0.84 C ATOM 1471 OD1 ASP A 114 -0.031 9.591 7.387 1.00 1.53 O ATOM 1472 OD2 ASP A 114 1.610 8.448 8.300 1.00 1.58 O ATOM 0 H ASP A 114 -1.634 9.393 10.159 1.00 0.30 H new ATOM 0 HA ASP A 114 -2.189 8.503 7.499 1.00 0.32 H new ATOM 0 HB2 ASP A 114 -0.380 7.517 9.721 1.00 0.38 H new ATOM 0 HB3 ASP A 114 -0.498 6.699 8.175 1.00 0.38 H new ATOM 1477 N ILE A 115 -3.610 7.002 9.988 1.00 0.24 N ATOM 1478 CA ILE A 115 -4.556 5.967 10.382 1.00 0.21 C ATOM 1479 C ILE A 115 -5.563 5.687 9.268 1.00 0.22 C ATOM 1480 O ILE A 115 -6.005 6.611 8.588 1.00 0.24 O ATOM 1481 CB ILE A 115 -5.289 6.373 11.688 1.00 0.23 C ATOM 1482 CG1 ILE A 115 -5.280 5.209 12.673 1.00 0.33 C ATOM 1483 CG2 ILE A 115 -6.716 6.857 11.430 1.00 0.29 C ATOM 1484 CD1 ILE A 115 -5.417 5.639 14.117 1.00 0.42 C ATOM 0 H ILE A 115 -3.452 7.717 10.698 1.00 0.24 H new ATOM 0 HA ILE A 115 -3.996 5.050 10.566 1.00 0.21 H new ATOM 0 HB ILE A 115 -4.748 7.215 12.121 1.00 0.23 H new ATOM 0 HG12 ILE A 115 -6.095 4.528 12.426 1.00 0.33 H new ATOM 0 HG13 ILE A 115 -4.351 4.651 12.555 1.00 0.33 H new ATOM 0 HG21 ILE A 115 -7.185 7.129 12.376 1.00 0.29 H new ATOM 0 HG22 ILE A 115 -6.692 7.727 10.774 1.00 0.29 H new ATOM 0 HG23 ILE A 115 -7.290 6.061 10.956 1.00 0.29 H new ATOM 0 HD11 ILE A 115 -5.403 4.760 14.761 1.00 0.42 H new ATOM 0 HD12 ILE A 115 -4.588 6.296 14.381 1.00 0.42 H new ATOM 0 HD13 ILE A 115 -6.359 6.171 14.250 1.00 0.42 H new ATOM 1496 N GLY A 116 -5.934 4.420 9.087 1.00 0.22 N ATOM 1497 CA GLY A 116 -6.903 4.094 8.053 1.00 0.24 C ATOM 1498 C GLY A 116 -6.601 2.813 7.295 1.00 0.23 C ATOM 1499 O GLY A 116 -5.446 2.420 7.135 1.00 0.22 O ATOM 0 H GLY A 116 -5.588 3.627 9.627 1.00 0.22 H new ATOM 0 HA2 GLY A 116 -7.889 4.008 8.510 1.00 0.24 H new ATOM 0 HA3 GLY A 116 -6.951 4.920 7.343 1.00 0.24 H new ATOM 1503 N THR A 117 -7.671 2.172 6.830 1.00 0.24 N ATOM 1504 CA THR A 117 -7.590 0.930 6.066 1.00 0.24 C ATOM 1505 C THR A 117 -6.775 1.095 4.783 1.00 0.23 C ATOM 1506 O THR A 117 -6.904 2.096 4.084 1.00 0.25 O ATOM 1507 CB THR A 117 -9.000 0.441 5.727 1.00 0.28 C ATOM 1508 OG1 THR A 117 -9.737 0.181 6.908 1.00 0.31 O ATOM 1509 CG2 THR A 117 -9.021 -0.817 4.886 1.00 0.31 C ATOM 0 H THR A 117 -8.625 2.502 6.974 1.00 0.24 H new ATOM 0 HA THR A 117 -7.078 0.194 6.686 1.00 0.24 H new ATOM 0 HB THR A 117 -9.449 1.248 5.147 1.00 0.28 H new ATOM 0 HG1 THR A 117 -9.323 -0.562 7.395 1.00 0.31 H new ATOM 0 HG21 THR A 117 -10.053 -1.104 4.686 1.00 0.31 H new ATOM 0 HG22 THR A 117 -8.506 -0.633 3.943 1.00 0.31 H new ATOM 0 HG23 THR A 117 -8.519 -1.622 5.423 1.00 0.31 H new ATOM 1517 N TYR A 118 -5.967 0.088 4.466 1.00 0.22 N ATOM 1518 CA TYR A 118 -5.160 0.094 3.247 1.00 0.23 C ATOM 1519 C TYR A 118 -5.535 -1.097 2.370 1.00 0.23 C ATOM 1520 O TYR A 118 -5.676 -2.217 2.861 1.00 0.24 O ATOM 1521 CB TYR A 118 -3.663 0.037 3.567 1.00 0.24 C ATOM 1522 CG TYR A 118 -3.107 1.315 4.151 1.00 0.26 C ATOM 1523 CD1 TYR A 118 -3.448 1.721 5.432 1.00 1.18 C ATOM 1524 CD2 TYR A 118 -2.237 2.113 3.419 1.00 1.23 C ATOM 1525 CE1 TYR A 118 -2.941 2.887 5.968 1.00 1.20 C ATOM 1526 CE2 TYR A 118 -1.722 3.280 3.951 1.00 1.24 C ATOM 1527 CZ TYR A 118 -2.080 3.662 5.227 1.00 0.39 C ATOM 1528 OH TYR A 118 -1.570 4.821 5.768 1.00 0.47 O ATOM 0 H TYR A 118 -5.852 -0.748 5.039 1.00 0.22 H new ATOM 0 HA TYR A 118 -5.363 1.025 2.717 1.00 0.23 H new ATOM 0 HB2 TYR A 118 -3.483 -0.778 4.268 1.00 0.24 H new ATOM 0 HB3 TYR A 118 -3.116 -0.201 2.654 1.00 0.24 H new ATOM 0 HD1 TYR A 118 -4.121 1.115 6.020 1.00 1.18 H new ATOM 0 HD2 TYR A 118 -1.959 1.817 2.418 1.00 1.23 H new ATOM 0 HE1 TYR A 118 -3.220 3.190 6.966 1.00 1.20 H new ATOM 0 HE2 TYR A 118 -1.044 3.889 3.371 1.00 1.24 H new ATOM 0 HH TYR A 118 -2.180 5.156 6.458 1.00 0.47 H new ATOM 1538 N GLN A 119 -5.695 -0.855 1.077 1.00 0.23 N ATOM 1539 CA GLN A 119 -6.054 -1.916 0.142 1.00 0.24 C ATOM 1540 C GLN A 119 -5.078 -1.972 -1.027 1.00 0.23 C ATOM 1541 O GLN A 119 -4.985 -1.027 -1.805 1.00 0.24 O ATOM 1542 CB GLN A 119 -7.474 -1.691 -0.377 1.00 0.28 C ATOM 1543 CG GLN A 119 -7.945 -2.747 -1.362 1.00 0.37 C ATOM 1544 CD GLN A 119 -9.355 -2.489 -1.852 1.00 0.59 C ATOM 1545 OE1 GLN A 119 -9.727 -3.135 -2.950 1.00 1.03 O flip ATOM 1546 NE2 GLN A 119 -10.097 -1.705 -1.260 1.00 1.16 N flip ATOM 0 H GLN A 119 -5.583 0.065 0.650 1.00 0.23 H new ATOM 0 HA GLN A 119 -6.006 -2.868 0.671 1.00 0.24 H new ATOM 0 HB2 GLN A 119 -8.160 -1.667 0.470 1.00 0.28 H new ATOM 0 HB3 GLN A 119 -7.524 -0.713 -0.856 1.00 0.28 H new ATOM 0 HG2 GLN A 119 -7.266 -2.774 -2.214 1.00 0.37 H new ATOM 0 HG3 GLN A 119 -7.901 -3.728 -0.888 1.00 0.37 H new ATOM 0 HE21 GLN A 119 -9.770 -1.230 -0.419 1.00 1.16 H new ATOM 0 HE22 GLN A 119 -11.039 -1.531 -1.611 1.00 1.16 H new ATOM 1555 N CYS A 120 -4.367 -3.090 -1.157 1.00 0.24 N ATOM 1556 CA CYS A 120 -3.409 -3.263 -2.247 1.00 0.24 C ATOM 1557 C CYS A 120 -4.022 -4.104 -3.361 1.00 0.22 C ATOM 1558 O CYS A 120 -4.316 -5.281 -3.164 1.00 0.25 O ATOM 1559 CB CYS A 120 -2.129 -3.932 -1.728 1.00 0.30 C ATOM 1560 SG CYS A 120 -0.851 -4.214 -3.003 1.00 1.03 S ATOM 0 H CYS A 120 -4.435 -3.887 -0.524 1.00 0.24 H new ATOM 0 HA CYS A 120 -3.156 -2.281 -2.646 1.00 0.24 H new ATOM 0 HB2 CYS A 120 -1.705 -3.313 -0.938 1.00 0.30 H new ATOM 0 HB3 CYS A 120 -2.392 -4.889 -1.277 1.00 0.30 H new ATOM 1565 N LYS A 121 -4.214 -3.496 -4.529 1.00 0.20 N ATOM 1566 CA LYS A 121 -4.798 -4.203 -5.663 1.00 0.21 C ATOM 1567 C LYS A 121 -3.754 -4.448 -6.743 1.00 0.21 C ATOM 1568 O LYS A 121 -3.408 -3.534 -7.482 1.00 0.22 O ATOM 1569 CB LYS A 121 -5.945 -3.382 -6.262 1.00 0.25 C ATOM 1570 CG LYS A 121 -7.179 -3.298 -5.381 1.00 0.29 C ATOM 1571 CD LYS A 121 -8.220 -2.363 -5.976 1.00 0.35 C ATOM 1572 CE LYS A 121 -8.821 -2.937 -7.250 1.00 1.28 C ATOM 1573 NZ LYS A 121 -9.785 -1.997 -7.888 1.00 1.76 N ATOM 0 H LYS A 121 -3.975 -2.522 -4.713 1.00 0.20 H new ATOM 0 HA LYS A 121 -5.174 -5.161 -5.303 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -5.587 -2.372 -6.463 1.00 0.25 H new ATOM 0 HB3 LYS A 121 -6.226 -3.818 -7.221 1.00 0.25 H new ATOM 0 HG2 LYS A 121 -7.608 -4.292 -5.257 1.00 0.29 H new ATOM 0 HG3 LYS A 121 -6.897 -2.947 -4.388 1.00 0.29 H new ATOM 0 HD2 LYS A 121 -9.011 -2.186 -5.247 1.00 0.35 H new ATOM 0 HD3 LYS A 121 -7.763 -1.397 -6.191 1.00 0.35 H new ATOM 0 HE2 LYS A 121 -8.022 -3.170 -7.954 1.00 1.28 H new ATOM 0 HE3 LYS A 121 -9.327 -3.875 -7.021 1.00 1.28 H new ATOM 0 HZ1 LYS A 121 -10.170 -2.428 -8.752 1.00 1.76 H new ATOM 0 HZ2 LYS A 121 -10.562 -1.794 -7.227 1.00 1.76 H new ATOM 0 HZ3 LYS A 121 -9.297 -1.111 -8.131 1.00 1.76 H new ATOM 1587 N VAL A 122 -3.279 -5.687 -6.855 1.00 0.22 N ATOM 1588 CA VAL A 122 -2.292 -6.028 -7.876 1.00 0.24 C ATOM 1589 C VAL A 122 -3.003 -6.470 -9.144 1.00 0.24 C ATOM 1590 O VAL A 122 -3.638 -7.524 -9.173 1.00 0.25 O ATOM 1591 CB VAL A 122 -1.348 -7.153 -7.406 1.00 0.28 C ATOM 1592 CG1 VAL A 122 -0.267 -7.417 -8.445 1.00 1.15 C ATOM 1593 CG2 VAL A 122 -0.730 -6.809 -6.058 1.00 1.18 C ATOM 0 H VAL A 122 -3.559 -6.465 -6.257 1.00 0.22 H new ATOM 0 HA VAL A 122 -1.691 -5.139 -8.067 1.00 0.24 H new ATOM 0 HB VAL A 122 -1.935 -8.064 -7.287 1.00 0.28 H new ATOM 0 HG11 VAL A 122 0.388 -8.214 -8.094 1.00 1.15 H new ATOM 0 HG12 VAL A 122 -0.731 -7.716 -9.385 1.00 1.15 H new ATOM 0 HG13 VAL A 122 0.317 -6.510 -8.601 1.00 1.15 H new ATOM 0 HG21 VAL A 122 -0.068 -7.616 -5.745 1.00 1.18 H new ATOM 0 HG22 VAL A 122 -0.160 -5.884 -6.145 1.00 1.18 H new ATOM 0 HG23 VAL A 122 -1.520 -6.680 -5.318 1.00 1.18 H new ATOM 1603 N LYS A 123 -2.918 -5.650 -10.185 1.00 0.26 N ATOM 1604 CA LYS A 123 -3.591 -5.973 -11.443 1.00 0.28 C ATOM 1605 C LYS A 123 -2.647 -6.588 -12.467 1.00 0.29 C ATOM 1606 O LYS A 123 -1.737 -5.922 -12.950 1.00 0.33 O ATOM 1607 CB LYS A 123 -4.234 -4.717 -12.033 1.00 0.32 C ATOM 1608 CG LYS A 123 -4.960 -4.957 -13.347 1.00 0.37 C ATOM 1609 CD LYS A 123 -5.576 -3.675 -13.884 1.00 0.48 C ATOM 1610 CE LYS A 123 -6.303 -3.911 -15.198 1.00 0.98 C ATOM 1611 NZ LYS A 123 -7.764 -4.112 -14.998 1.00 1.62 N ATOM 0 H LYS A 123 -2.400 -4.771 -10.188 1.00 0.26 H new ATOM 0 HA LYS A 123 -4.357 -6.714 -11.213 1.00 0.28 H new ATOM 0 HB2 LYS A 123 -4.939 -4.307 -11.309 1.00 0.32 H new ATOM 0 HB3 LYS A 123 -3.462 -3.964 -12.188 1.00 0.32 H new ATOM 0 HG2 LYS A 123 -4.263 -5.362 -14.080 1.00 0.37 H new ATOM 0 HG3 LYS A 123 -5.740 -5.704 -13.202 1.00 0.37 H new ATOM 0 HD2 LYS A 123 -6.272 -3.270 -13.150 1.00 0.48 H new ATOM 0 HD3 LYS A 123 -4.795 -2.928 -14.029 1.00 0.48 H new ATOM 0 HE2 LYS A 123 -6.141 -3.060 -15.860 1.00 0.98 H new ATOM 0 HE3 LYS A 123 -5.881 -4.785 -15.694 1.00 0.98 H new ATOM 0 HZ1 LYS A 123 -8.222 -4.270 -15.918 1.00 1.62 H new ATOM 0 HZ2 LYS A 123 -7.920 -4.939 -14.387 1.00 1.62 H new ATOM 0 HZ3 LYS A 123 -8.172 -3.268 -14.548 1.00 1.62 H new ATOM 1625 N LYS A 124 -2.890 -7.841 -12.840 1.00 0.29 N ATOM 1626 CA LYS A 124 -2.062 -8.480 -13.853 1.00 0.31 C ATOM 1627 C LYS A 124 -2.911 -9.428 -14.690 1.00 0.32 C ATOM 1628 O LYS A 124 -3.237 -10.530 -14.256 1.00 0.35 O ATOM 1629 CB LYS A 124 -0.908 -9.237 -13.192 1.00 0.38 C ATOM 1630 CG LYS A 124 0.173 -9.671 -14.168 1.00 1.18 C ATOM 1631 CD LYS A 124 1.297 -10.418 -13.465 1.00 1.17 C ATOM 1632 CE LYS A 124 2.388 -10.825 -14.442 1.00 2.14 C ATOM 1633 NZ LYS A 124 3.400 -9.749 -14.632 1.00 2.84 N ATOM 0 H LYS A 124 -3.638 -8.423 -12.464 1.00 0.29 H new ATOM 0 HA LYS A 124 -1.642 -7.714 -14.506 1.00 0.31 H new ATOM 0 HB2 LYS A 124 -0.461 -8.604 -12.426 1.00 0.38 H new ATOM 0 HB3 LYS A 124 -1.304 -10.118 -12.687 1.00 0.38 H new ATOM 0 HG2 LYS A 124 -0.264 -10.310 -14.936 1.00 1.18 H new ATOM 0 HG3 LYS A 124 0.579 -8.796 -14.675 1.00 1.18 H new ATOM 0 HD2 LYS A 124 1.722 -9.788 -12.684 1.00 1.17 H new ATOM 0 HD3 LYS A 124 0.896 -11.305 -12.975 1.00 1.17 H new ATOM 0 HE2 LYS A 124 2.882 -11.726 -14.079 1.00 2.14 H new ATOM 0 HE3 LYS A 124 1.939 -11.073 -15.404 1.00 2.14 H new ATOM 0 HZ1 LYS A 124 3.949 -9.937 -15.495 1.00 2.84 H new ATOM 0 HZ2 LYS A 124 2.919 -8.831 -14.721 1.00 2.84 H new ATOM 0 HZ3 LYS A 124 4.040 -9.726 -13.813 1.00 2.84 H new ATOM 1647 N ALA A 125 -3.263 -8.984 -15.895 1.00 0.35 N ATOM 1648 CA ALA A 125 -4.079 -9.782 -16.805 1.00 0.39 C ATOM 1649 C ALA A 125 -3.525 -11.194 -16.977 1.00 0.40 C ATOM 1650 O ALA A 125 -2.330 -11.366 -17.216 1.00 0.40 O ATOM 1651 CB ALA A 125 -4.201 -9.096 -18.157 1.00 0.44 C ATOM 0 H ALA A 125 -2.994 -8.072 -16.264 1.00 0.35 H new ATOM 0 HA ALA A 125 -5.070 -9.868 -16.360 1.00 0.39 H new ATOM 0 HB1 ALA A 125 -4.813 -9.707 -18.821 1.00 0.44 H new ATOM 0 HB2 ALA A 125 -4.668 -8.120 -18.029 1.00 0.44 H new ATOM 0 HB3 ALA A 125 -3.209 -8.969 -18.592 1.00 0.44 H new ATOM 1657 N PRO A 126 -4.379 -12.230 -16.868 1.00 0.44 N ATOM 1658 CA PRO A 126 -5.800 -12.107 -16.588 1.00 0.48 C ATOM 1659 C PRO A 126 -6.121 -12.407 -15.128 1.00 0.49 C ATOM 1660 O PRO A 126 -6.989 -13.232 -14.838 1.00 0.56 O ATOM 1661 CB PRO A 126 -6.367 -13.203 -17.483 1.00 0.56 C ATOM 1662 CG PRO A 126 -5.323 -14.282 -17.466 1.00 0.55 C ATOM 1663 CD PRO A 126 -4.024 -13.644 -17.010 1.00 0.48 C ATOM 0 HA PRO A 126 -6.195 -11.107 -16.766 1.00 0.48 H new ATOM 0 HB2 PRO A 126 -7.322 -13.569 -17.106 1.00 0.56 H new ATOM 0 HB3 PRO A 126 -6.543 -12.837 -18.495 1.00 0.56 H new ATOM 0 HG2 PRO A 126 -5.613 -15.087 -16.791 1.00 0.55 H new ATOM 0 HG3 PRO A 126 -5.208 -14.722 -18.457 1.00 0.55 H new ATOM 0 HD2 PRO A 126 -3.675 -14.068 -16.068 1.00 0.48 H new ATOM 0 HD3 PRO A 126 -3.227 -13.788 -17.739 1.00 0.48 H new ATOM 1671 N GLY A 127 -5.420 -11.749 -14.206 1.00 0.45 N ATOM 1672 CA GLY A 127 -5.667 -11.992 -12.811 1.00 0.48 C ATOM 1673 C GLY A 127 -5.495 -10.771 -11.938 1.00 0.42 C ATOM 1674 O GLY A 127 -4.381 -10.384 -11.579 1.00 0.39 O ATOM 0 H GLY A 127 -4.695 -11.061 -14.406 1.00 0.45 H new ATOM 0 HA2 GLY A 127 -6.682 -12.372 -12.692 1.00 0.48 H new ATOM 0 HA3 GLY A 127 -4.992 -12.774 -12.463 1.00 0.48 H new ATOM 1678 N VAL A 128 -6.622 -10.206 -11.567 1.00 0.44 N ATOM 1679 CA VAL A 128 -6.674 -9.057 -10.681 1.00 0.41 C ATOM 1680 C VAL A 128 -6.855 -9.537 -9.242 1.00 0.43 C ATOM 1681 O VAL A 128 -7.659 -10.434 -8.987 1.00 0.60 O ATOM 1682 CB VAL A 128 -7.831 -8.115 -11.053 1.00 0.44 C ATOM 1683 CG1 VAL A 128 -7.471 -7.281 -12.273 1.00 1.12 C ATOM 1684 CG2 VAL A 128 -9.111 -8.903 -11.293 1.00 1.22 C ATOM 0 H VAL A 128 -7.539 -10.532 -11.873 1.00 0.44 H new ATOM 0 HA VAL A 128 -5.739 -8.505 -10.781 1.00 0.41 H new ATOM 0 HB VAL A 128 -8.004 -7.437 -10.217 1.00 0.44 H new ATOM 0 HG11 VAL A 128 -8.302 -6.621 -12.521 1.00 1.12 H new ATOM 0 HG12 VAL A 128 -6.585 -6.684 -12.057 1.00 1.12 H new ATOM 0 HG13 VAL A 128 -7.267 -7.940 -13.117 1.00 1.12 H new ATOM 0 HG21 VAL A 128 -9.917 -8.217 -11.555 1.00 1.22 H new ATOM 0 HG22 VAL A 128 -8.956 -9.609 -12.109 1.00 1.22 H new ATOM 0 HG23 VAL A 128 -9.378 -9.448 -10.387 1.00 1.22 H new ATOM 1694 N ALA A 129 -6.110 -8.964 -8.304 1.00 0.38 N ATOM 1695 CA ALA A 129 -6.217 -9.385 -6.909 1.00 0.43 C ATOM 1696 C ALA A 129 -6.047 -8.214 -5.941 1.00 0.34 C ATOM 1697 O ALA A 129 -5.390 -7.223 -6.261 1.00 0.36 O ATOM 1698 CB ALA A 129 -5.199 -10.475 -6.627 1.00 0.57 C ATOM 0 H ALA A 129 -5.435 -8.219 -8.477 1.00 0.38 H new ATOM 0 HA ALA A 129 -7.221 -9.779 -6.750 1.00 0.43 H new ATOM 0 HB1 ALA A 129 -5.280 -10.788 -5.586 1.00 0.57 H new ATOM 0 HB2 ALA A 129 -5.389 -11.328 -7.278 1.00 0.57 H new ATOM 0 HB3 ALA A 129 -4.195 -10.093 -6.814 1.00 0.57 H new ATOM 1704 N ASN A 130 -6.659 -8.331 -4.758 1.00 0.32 N ATOM 1705 CA ASN A 130 -6.586 -7.274 -3.749 1.00 0.30 C ATOM 1706 C ASN A 130 -6.584 -7.834 -2.322 1.00 0.28 C ATOM 1707 O ASN A 130 -7.051 -8.945 -2.080 1.00 0.30 O ATOM 1708 CB ASN A 130 -7.772 -6.329 -3.919 1.00 0.38 C ATOM 1709 CG ASN A 130 -9.096 -7.016 -3.644 1.00 1.14 C ATOM 1710 OD1 ASN A 130 -9.301 -8.168 -4.027 1.00 2.03 O ATOM 1711 ND2 ASN A 130 -9.998 -6.318 -2.966 1.00 1.36 N ATOM 0 H ASN A 130 -7.208 -9.144 -4.478 1.00 0.32 H new ATOM 0 HA ASN A 130 -5.647 -6.741 -3.897 1.00 0.30 H new ATOM 0 HB2 ASN A 130 -7.658 -5.481 -3.244 1.00 0.38 H new ATOM 0 HB3 ASN A 130 -7.775 -5.931 -4.934 1.00 0.38 H new ATOM 0 HD21 ASN A 130 -10.902 -6.734 -2.743 1.00 1.36 H new ATOM 0 HD22 ASN A 130 -9.787 -5.366 -2.667 1.00 1.36 H new ATOM 1718 N LYS A 131 -6.073 -7.038 -1.376 1.00 0.27 N ATOM 1719 CA LYS A 131 -6.028 -7.438 0.033 1.00 0.28 C ATOM 1720 C LYS A 131 -6.221 -6.233 0.953 1.00 0.26 C ATOM 1721 O LYS A 131 -6.147 -5.086 0.509 1.00 0.28 O ATOM 1722 CB LYS A 131 -4.710 -8.131 0.366 1.00 0.34 C ATOM 1723 CG LYS A 131 -3.507 -7.200 0.374 1.00 0.99 C ATOM 1724 CD LYS A 131 -2.644 -7.374 -0.859 1.00 1.19 C ATOM 1725 CE LYS A 131 -2.034 -8.762 -0.923 1.00 2.18 C ATOM 1726 NZ LYS A 131 -0.916 -8.920 0.043 1.00 2.95 N ATOM 0 H LYS A 131 -5.685 -6.113 -1.562 1.00 0.27 H new ATOM 0 HA LYS A 131 -6.845 -8.140 0.196 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -4.797 -8.604 1.344 1.00 0.34 H new ATOM 0 HB3 LYS A 131 -4.536 -8.927 -0.359 1.00 0.34 H new ATOM 0 HG2 LYS A 131 -3.849 -6.167 0.434 1.00 0.99 H new ATOM 0 HG3 LYS A 131 -2.908 -7.390 1.265 1.00 0.99 H new ATOM 0 HD2 LYS A 131 -3.244 -7.198 -1.752 1.00 1.19 H new ATOM 0 HD3 LYS A 131 -1.850 -6.627 -0.857 1.00 1.19 H new ATOM 0 HE2 LYS A 131 -2.802 -9.506 -0.714 1.00 2.18 H new ATOM 0 HE3 LYS A 131 -1.671 -8.953 -1.933 1.00 2.18 H new ATOM 0 HZ1 LYS A 131 -0.042 -9.151 -0.472 1.00 2.95 H new ATOM 0 HZ2 LYS A 131 -0.784 -8.033 0.569 1.00 2.95 H new ATOM 0 HZ3 LYS A 131 -1.138 -9.687 0.709 1.00 2.95 H new ATOM 1740 N LYS A 132 -6.475 -6.496 2.237 1.00 0.26 N ATOM 1741 CA LYS A 132 -6.685 -5.428 3.204 1.00 0.26 C ATOM 1742 C LYS A 132 -5.555 -5.325 4.215 1.00 0.24 C ATOM 1743 O LYS A 132 -5.061 -6.327 4.721 1.00 0.24 O ATOM 1744 CB LYS A 132 -7.975 -5.661 3.971 1.00 0.30 C ATOM 1745 CG LYS A 132 -9.219 -5.626 3.100 1.00 0.89 C ATOM 1746 CD LYS A 132 -10.479 -5.864 3.914 1.00 1.19 C ATOM 1747 CE LYS A 132 -11.722 -5.829 3.039 1.00 1.83 C ATOM 1748 NZ LYS A 132 -11.906 -4.502 2.387 1.00 2.26 N ATOM 0 H LYS A 132 -6.539 -7.437 2.625 1.00 0.26 H new ATOM 0 HA LYS A 132 -6.728 -4.501 2.632 1.00 0.26 H new ATOM 0 HB2 LYS A 132 -7.920 -6.628 4.472 1.00 0.30 H new ATOM 0 HB3 LYS A 132 -8.066 -4.904 4.750 1.00 0.30 H new ATOM 0 HG2 LYS A 132 -9.286 -4.660 2.599 1.00 0.89 H new ATOM 0 HG3 LYS A 132 -9.140 -6.384 2.321 1.00 0.89 H new ATOM 0 HD2 LYS A 132 -10.413 -6.830 4.415 1.00 1.19 H new ATOM 0 HD3 LYS A 132 -10.559 -5.105 4.693 1.00 1.19 H new ATOM 0 HE2 LYS A 132 -11.649 -6.602 2.274 1.00 1.83 H new ATOM 0 HE3 LYS A 132 -12.598 -6.061 3.644 1.00 1.83 H new ATOM 0 HZ1 LYS A 132 -12.863 -4.443 1.983 1.00 2.26 H new ATOM 0 HZ2 LYS A 132 -11.781 -3.748 3.093 1.00 2.26 H new ATOM 0 HZ3 LYS A 132 -11.203 -4.387 1.629 1.00 2.26 H new ATOM 1762 N ILE A 133 -5.196 -4.096 4.538 1.00 0.23 N ATOM 1763 CA ILE A 133 -4.178 -3.824 5.538 1.00 0.22 C ATOM 1764 C ILE A 133 -4.606 -2.606 6.346 1.00 0.22 C ATOM 1765 O ILE A 133 -4.680 -1.507 5.814 1.00 0.28 O ATOM 1766 CB ILE A 133 -2.793 -3.587 4.901 1.00 0.22 C ATOM 1767 CG1 ILE A 133 -2.312 -4.866 4.215 1.00 0.25 C ATOM 1768 CG2 ILE A 133 -1.787 -3.133 5.950 1.00 0.22 C ATOM 1769 CD1 ILE A 133 -1.081 -4.669 3.362 1.00 0.27 C ATOM 0 H ILE A 133 -5.600 -3.260 4.116 1.00 0.23 H new ATOM 0 HA ILE A 133 -4.082 -4.695 6.187 1.00 0.22 H new ATOM 0 HB ILE A 133 -2.882 -2.797 4.155 1.00 0.22 H new ATOM 0 HG12 ILE A 133 -2.101 -5.618 4.975 1.00 0.25 H new ATOM 0 HG13 ILE A 133 -3.116 -5.259 3.593 1.00 0.25 H new ATOM 0 HG21 ILE A 133 -0.817 -2.972 5.479 1.00 0.22 H new ATOM 0 HG22 ILE A 133 -2.129 -2.203 6.404 1.00 0.22 H new ATOM 0 HG23 ILE A 133 -1.693 -3.899 6.720 1.00 0.22 H new ATOM 0 HD11 ILE A 133 -0.798 -5.618 2.907 1.00 0.27 H new ATOM 0 HD12 ILE A 133 -1.293 -3.941 2.579 1.00 0.27 H new ATOM 0 HD13 ILE A 133 -0.262 -4.306 3.983 1.00 0.27 H new ATOM 1781 N HIS A 134 -4.911 -2.795 7.621 1.00 0.21 N ATOM 1782 CA HIS A 134 -5.360 -1.681 8.445 1.00 0.21 C ATOM 1783 C HIS A 134 -4.209 -1.098 9.245 1.00 0.20 C ATOM 1784 O HIS A 134 -3.592 -1.781 10.060 1.00 0.21 O ATOM 1785 CB HIS A 134 -6.477 -2.135 9.384 1.00 0.25 C ATOM 1786 CG HIS A 134 -7.676 -2.664 8.661 1.00 0.31 C ATOM 1787 ND1 HIS A 134 -8.077 -2.503 7.378 1.00 0.47 N flip ATOM 1788 CD2 HIS A 134 -8.619 -3.476 9.255 1.00 0.41 C flip ATOM 1789 CE1 HIS A 134 -9.243 -3.212 7.222 1.00 0.55 C flip ATOM 1790 NE2 HIS A 134 -9.548 -3.790 8.370 1.00 0.49 N flip ATOM 0 H HIS A 134 -4.858 -3.693 8.102 1.00 0.21 H new ATOM 0 HA HIS A 134 -5.745 -0.904 7.785 1.00 0.21 H new ATOM 0 HB2 HIS A 134 -6.092 -2.908 10.050 1.00 0.25 H new ATOM 0 HB3 HIS A 134 -6.779 -1.296 10.011 1.00 0.25 H new ATOM 0 HD2 HIS A 134 -8.601 -3.804 10.284 1.00 0.41 H new ATOM 0 HE1 HIS A 134 -9.817 -3.285 6.310 1.00 0.55 H new ATOM 0 HE2 HIS A 134 -10.363 -4.379 8.544 1.00 0.49 H new ATOM 1799 N LEU A 135 -3.921 0.174 8.997 1.00 0.19 N ATOM 1800 CA LEU A 135 -2.836 0.854 9.683 1.00 0.19 C ATOM 1801 C LEU A 135 -3.303 1.486 10.986 1.00 0.19 C ATOM 1802 O LEU A 135 -4.173 2.362 10.991 1.00 0.21 O ATOM 1803 CB LEU A 135 -2.230 1.926 8.779 1.00 0.21 C ATOM 1804 CG LEU A 135 -0.931 2.561 9.286 1.00 0.69 C ATOM 1805 CD1 LEU A 135 -1.229 3.624 10.335 1.00 1.52 C ATOM 1806 CD2 LEU A 135 0.008 1.501 9.845 1.00 1.32 C ATOM 0 H LEU A 135 -4.425 0.753 8.326 1.00 0.19 H new ATOM 0 HA LEU A 135 -2.079 0.107 9.922 1.00 0.19 H new ATOM 0 HB2 LEU A 135 -2.041 1.486 7.800 1.00 0.21 H new ATOM 0 HB3 LEU A 135 -2.968 2.715 8.636 1.00 0.21 H new ATOM 0 HG LEU A 135 -0.435 3.041 8.443 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -0.294 4.064 10.683 1.00 1.52 H new ATOM 0 HD12 LEU A 135 -1.855 4.402 9.897 1.00 1.52 H new ATOM 0 HD13 LEU A 135 -1.751 3.169 11.176 1.00 1.52 H new ATOM 0 HD21 LEU A 135 0.923 1.976 10.199 1.00 1.32 H new ATOM 0 HD22 LEU A 135 -0.477 0.986 10.674 1.00 1.32 H new ATOM 0 HD23 LEU A 135 0.251 0.782 9.063 1.00 1.32 H new ATOM 1818 N VAL A 136 -2.695 1.050 12.082 1.00 0.21 N ATOM 1819 CA VAL A 136 -3.008 1.575 13.401 1.00 0.23 C ATOM 1820 C VAL A 136 -1.758 2.210 13.997 1.00 0.21 C ATOM 1821 O VAL A 136 -0.732 1.550 14.150 1.00 0.23 O ATOM 1822 CB VAL A 136 -3.519 0.472 14.346 1.00 0.27 C ATOM 1823 CG1 VAL A 136 -3.939 1.065 15.683 1.00 0.32 C ATOM 1824 CG2 VAL A 136 -4.666 -0.299 13.703 1.00 0.31 C ATOM 0 H VAL A 136 -1.976 0.327 12.080 1.00 0.21 H new ATOM 0 HA VAL A 136 -3.799 2.317 13.291 1.00 0.23 H new ATOM 0 HB VAL A 136 -2.705 -0.229 14.529 1.00 0.27 H new ATOM 0 HG11 VAL A 136 -4.297 0.270 16.337 1.00 0.32 H new ATOM 0 HG12 VAL A 136 -3.085 1.559 16.146 1.00 0.32 H new ATOM 0 HG13 VAL A 136 -4.736 1.791 15.525 1.00 0.32 H new ATOM 0 HG21 VAL A 136 -5.012 -1.074 14.387 1.00 0.31 H new ATOM 0 HG22 VAL A 136 -5.486 0.385 13.484 1.00 0.31 H new ATOM 0 HG23 VAL A 136 -4.321 -0.760 12.778 1.00 0.31 H new ATOM 1834 N VAL A 137 -1.833 3.495 14.304 1.00 0.21 N ATOM 1835 CA VAL A 137 -0.686 4.205 14.848 1.00 0.21 C ATOM 1836 C VAL A 137 -0.705 4.254 16.371 1.00 0.24 C ATOM 1837 O VAL A 137 -1.723 4.578 16.982 1.00 0.31 O ATOM 1838 CB VAL A 137 -0.618 5.646 14.303 1.00 0.26 C ATOM 1839 CG1 VAL A 137 -1.861 6.431 14.703 1.00 1.08 C ATOM 1840 CG2 VAL A 137 0.646 6.346 14.787 1.00 1.06 C ATOM 0 H VAL A 137 -2.671 4.065 14.187 1.00 0.21 H new ATOM 0 HA VAL A 137 0.196 3.648 14.531 1.00 0.21 H new ATOM 0 HB VAL A 137 -0.583 5.599 13.215 1.00 0.26 H new ATOM 0 HG11 VAL A 137 -1.793 7.445 14.309 1.00 1.08 H new ATOM 0 HG12 VAL A 137 -2.746 5.942 14.297 1.00 1.08 H new ATOM 0 HG13 VAL A 137 -1.934 6.468 15.790 1.00 1.08 H new ATOM 0 HG21 VAL A 137 0.674 7.361 14.391 1.00 1.06 H new ATOM 0 HG22 VAL A 137 0.648 6.381 15.876 1.00 1.06 H new ATOM 0 HG23 VAL A 137 1.521 5.797 14.440 1.00 1.06 H new ATOM 1850 N LEU A 138 0.443 3.958 16.976 1.00 0.24 N ATOM 1851 CA LEU A 138 0.568 3.999 18.428 1.00 0.30 C ATOM 1852 C LEU A 138 0.763 5.448 18.868 1.00 0.31 C ATOM 1853 O LEU A 138 1.153 6.297 18.060 1.00 0.26 O ATOM 1854 CB LEU A 138 1.735 3.127 18.901 1.00 0.36 C ATOM 1855 CG LEU A 138 1.626 1.642 18.538 1.00 0.42 C ATOM 1856 CD1 LEU A 138 2.939 0.924 18.820 1.00 0.52 C ATOM 1857 CD2 LEU A 138 0.487 0.992 19.308 1.00 0.51 C ATOM 0 H LEU A 138 1.295 3.689 16.485 1.00 0.24 H new ATOM 0 HA LEU A 138 -0.341 3.601 18.879 1.00 0.30 H new ATOM 0 HB2 LEU A 138 2.658 3.522 18.477 1.00 0.36 H new ATOM 0 HB3 LEU A 138 1.818 3.215 19.984 1.00 0.36 H new ATOM 0 HG LEU A 138 1.414 1.562 17.472 1.00 0.42 H new ATOM 0 HD11 LEU A 138 2.842 -0.129 18.556 1.00 0.52 H new ATOM 0 HD12 LEU A 138 3.735 1.375 18.227 1.00 0.52 H new ATOM 0 HD13 LEU A 138 3.181 1.012 19.879 1.00 0.52 H new ATOM 0 HD21 LEU A 138 0.422 -0.062 19.040 1.00 0.51 H new ATOM 0 HD22 LEU A 138 0.672 1.084 20.378 1.00 0.51 H new ATOM 0 HD23 LEU A 138 -0.451 1.488 19.059 1.00 0.51 H new ATOM 1869 N VAL A 139 0.453 5.737 20.131 1.00 0.45 N ATOM 1870 CA VAL A 139 0.542 7.103 20.645 1.00 0.49 C ATOM 1871 C VAL A 139 1.967 7.612 20.763 1.00 0.49 C ATOM 1872 O VAL A 139 2.918 6.856 20.963 1.00 0.62 O ATOM 1873 CB VAL A 139 -0.151 7.252 22.011 1.00 0.70 C ATOM 1874 CG1 VAL A 139 0.330 6.185 22.983 1.00 1.19 C ATOM 1875 CG2 VAL A 139 0.068 8.646 22.586 1.00 1.48 C ATOM 0 H VAL A 139 0.140 5.048 20.814 1.00 0.45 H new ATOM 0 HA VAL A 139 0.025 7.710 19.902 1.00 0.49 H new ATOM 0 HB VAL A 139 -1.222 7.115 21.860 1.00 0.70 H new ATOM 0 HG11 VAL A 139 -0.174 6.312 23.941 1.00 1.19 H new ATOM 0 HG12 VAL A 139 0.103 5.198 22.581 1.00 1.19 H new ATOM 0 HG13 VAL A 139 1.407 6.280 23.124 1.00 1.19 H new ATOM 0 HG21 VAL A 139 -0.432 8.724 23.551 1.00 1.48 H new ATOM 0 HG22 VAL A 139 1.136 8.823 22.715 1.00 1.48 H new ATOM 0 HG23 VAL A 139 -0.343 9.390 21.903 1.00 1.48 H new ATOM 1885 N LYS A 140 2.074 8.925 20.616 1.00 0.47 N ATOM 1886 CA LYS A 140 3.348 9.629 20.677 1.00 0.54 C ATOM 1887 C LYS A 140 3.116 11.135 20.864 1.00 0.59 C ATOM 1888 O LYS A 140 1.979 11.559 21.061 1.00 0.68 O ATOM 1889 CB LYS A 140 4.132 9.341 19.399 1.00 0.68 C ATOM 1890 CG LYS A 140 5.285 8.370 19.600 1.00 0.81 C ATOM 1891 CD LYS A 140 6.486 8.739 18.745 1.00 1.12 C ATOM 1892 CE LYS A 140 7.664 7.817 19.016 1.00 1.63 C ATOM 1893 NZ LYS A 140 8.635 8.421 19.970 1.00 2.20 N ATOM 0 H LYS A 140 1.274 9.536 20.450 1.00 0.47 H new ATOM 0 HA LYS A 140 3.926 9.280 21.532 1.00 0.54 H new ATOM 0 HB2 LYS A 140 3.453 8.936 18.649 1.00 0.68 H new ATOM 0 HB3 LYS A 140 4.522 10.278 19.002 1.00 0.68 H new ATOM 0 HG2 LYS A 140 5.575 8.362 20.651 1.00 0.81 H new ATOM 0 HG3 LYS A 140 4.958 7.360 19.352 1.00 0.81 H new ATOM 0 HD2 LYS A 140 6.214 8.685 17.691 1.00 1.12 H new ATOM 0 HD3 LYS A 140 6.775 9.770 18.947 1.00 1.12 H new ATOM 0 HE2 LYS A 140 7.300 6.872 19.419 1.00 1.63 H new ATOM 0 HE3 LYS A 140 8.170 7.590 18.078 1.00 1.63 H new ATOM 0 HZ1 LYS A 140 9.423 7.761 20.128 1.00 2.20 H new ATOM 0 HZ2 LYS A 140 9.002 9.310 19.575 1.00 2.20 H new ATOM 0 HZ3 LYS A 140 8.159 8.614 20.874 1.00 2.20 H new ATOM 1907 N PRO A 141 4.184 11.965 20.825 1.00 0.69 N ATOM 1908 CA PRO A 141 4.070 13.426 21.006 1.00 0.81 C ATOM 1909 C PRO A 141 2.992 14.082 20.123 1.00 1.00 C ATOM 1910 O PRO A 141 1.913 13.526 19.930 1.00 1.31 O ATOM 1911 CB PRO A 141 5.468 13.929 20.631 1.00 0.97 C ATOM 1912 CG PRO A 141 6.369 12.794 20.960 1.00 1.06 C ATOM 1913 CD PRO A 141 5.591 11.553 20.626 1.00 0.83 C ATOM 0 HA PRO A 141 3.758 13.679 22.019 1.00 0.81 H new ATOM 0 HB2 PRO A 141 5.526 14.189 19.574 1.00 0.97 H new ATOM 0 HB3 PRO A 141 5.733 14.823 21.195 1.00 0.97 H new ATOM 0 HG2 PRO A 141 7.292 12.846 20.382 1.00 1.06 H new ATOM 0 HG3 PRO A 141 6.651 12.809 22.013 1.00 1.06 H new ATOM 0 HD2 PRO A 141 5.773 11.228 19.602 1.00 0.83 H new ATOM 0 HD3 PRO A 141 5.862 10.722 21.277 1.00 0.83 H new ATOM 1921 N SER A 142 3.289 15.288 19.617 1.00 1.11 N ATOM 1922 CA SER A 142 2.354 16.057 18.781 1.00 1.45 C ATOM 1923 C SER A 142 1.419 15.175 17.955 1.00 1.70 C ATOM 1924 O SER A 142 0.198 15.255 18.092 1.00 2.25 O ATOM 1925 CB SER A 142 3.127 16.997 17.854 1.00 1.68 C ATOM 1926 OG SER A 142 4.013 16.277 17.014 1.00 2.31 O ATOM 0 H SER A 142 4.181 15.757 19.775 1.00 1.11 H new ATOM 0 HA SER A 142 1.729 16.631 19.465 1.00 1.45 H new ATOM 0 HB2 SER A 142 2.426 17.567 17.244 1.00 1.68 H new ATOM 0 HB3 SER A 142 3.690 17.716 18.449 1.00 1.68 H new ATOM 0 HG SER A 142 4.492 16.903 16.431 1.00 2.31 H new ATOM 1932 N GLY A 143 1.992 14.343 17.099 1.00 1.71 N ATOM 1933 CA GLY A 143 1.179 13.468 16.269 1.00 2.26 C ATOM 1934 C GLY A 143 1.736 13.279 14.867 1.00 1.83 C ATOM 1935 O GLY A 143 0.986 13.009 13.929 1.00 2.52 O ATOM 0 H GLY A 143 2.999 14.255 16.962 1.00 1.71 H new ATOM 0 HA2 GLY A 143 1.095 12.495 16.753 1.00 2.26 H new ATOM 0 HA3 GLY A 143 0.171 13.878 16.200 1.00 2.26 H new ATOM 1939 N ALA A 144 3.052 13.409 14.722 1.00 1.27 N ATOM 1940 CA ALA A 144 3.697 13.237 13.426 1.00 1.39 C ATOM 1941 C ALA A 144 5.178 12.911 13.591 1.00 2.01 C ATOM 1942 O ALA A 144 5.553 11.739 13.380 1.00 2.51 O ATOM 1943 CB ALA A 144 3.514 14.483 12.572 1.00 1.73 C ATOM 1944 OXT ALA A 144 5.952 13.832 13.928 1.00 2.60 O ATOM 0 H ALA A 144 3.691 13.633 15.485 1.00 1.27 H new ATOM 0 HA ALA A 144 3.223 12.397 12.919 1.00 1.39 H new ATOM 0 HB1 ALA A 144 4.001 14.338 11.608 1.00 1.73 H new ATOM 0 HB2 ALA A 144 2.451 14.665 12.417 1.00 1.73 H new ATOM 0 HB3 ALA A 144 3.959 15.340 13.078 1.00 1.73 H new TER 1950 ALA A 144