USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1209 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 138 GLN : amide:sc= -2 K(o=-1.4,f=-0.74) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.578 K(o=-1.4,f=-0.74) USER MOD Set 2.1: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 118 TYR OH : rot 180:sc= -0.347 USER MOD Set 3.1: A 74 GLN : amide:sc= 0.056 K(o=0.11,f=-1) USER MOD Set 3.2: A 98 TYR OH : rot -24:sc= 0.0582 USER MOD Set 4.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 68 LYS NZ :NH3+ 161:sc= 0.0506 (180deg=0.0106) USER MOD Set 5.1: A 32 LYS NZ :NH3+ 155:sc= 0.549 (180deg=0) USER MOD Set 5.2: A 112 GLN : amide:sc= -2.3 K(o=-1.8,f=-6.2) USER MOD Set 6.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 154 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.222 K(o=-0.22,f=-2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -26:sc= -0.501 USER MOD Single : A 23 SER OG : rot 22:sc= 0.225 USER MOD Single : A 27 GLN : amide:sc= -0.979 K(o=-0.98,f=-6.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -64:sc= 0.914 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -166:sc= 0.645 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 140:sc= -1.51 (180deg=-3.27!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.883 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -173:sc= 0.588 USER MOD Single : A 87 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.84) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -1.98 X(o=-2,f=-2.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 131:sc= 1.48 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.0599 USER MOD Single : A 127 TYR OH : rot -30:sc= -3.77! USER MOD Single : A 129 TYR OH : rot -175:sc= -1.57 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 66:sc= -0.563 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= -0.608 K(o=-0.61,f=-6.9!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -47.496 5.187 4.525 1.00 51.03 N ATOM 2 CA GLY A 1 -46.636 4.084 4.134 1.00 23.31 C ATOM 3 C GLY A 1 -45.530 4.520 3.194 1.00 53.31 C ATOM 4 O GLY A 1 -45.787 5.196 2.198 1.00 72.13 O ATOM 0 H1 GLY A 1 -48.236 4.839 5.167 1.00 51.03 H new ATOM 0 H2 GLY A 1 -46.931 5.913 5.009 1.00 51.03 H new ATOM 0 H3 GLY A 1 -47.938 5.600 3.679 1.00 51.03 H new ATOM 0 HA2 GLY A 1 -46.196 3.636 5.025 1.00 23.31 H new ATOM 0 HA3 GLY A 1 -47.236 3.312 3.652 1.00 23.31 H new ATOM 8 N ASP A 2 -44.300 4.138 3.513 1.00 21.34 N ATOM 9 CA ASP A 2 -43.148 4.491 2.692 1.00 25.41 C ATOM 10 C ASP A 2 -42.573 3.257 2.003 1.00 22.20 C ATOM 11 O ASP A 2 -43.101 2.154 2.142 1.00 72.44 O ATOM 12 CB ASP A 2 -42.071 5.163 3.546 1.00 24.22 C ATOM 13 CG ASP A 2 -41.878 4.476 4.885 1.00 71.42 C ATOM 14 OD1 ASP A 2 -41.568 3.266 4.891 1.00 13.02 O ATOM 15 OD2 ASP A 2 -42.052 5.148 5.923 1.00 62.31 O ATOM 0 H ASP A 2 -44.074 3.582 4.337 1.00 21.34 H new ATOM 0 HA ASP A 2 -43.481 5.191 1.926 1.00 25.41 H new ATOM 0 HB2 ASP A 2 -41.127 5.162 3.001 1.00 24.22 H new ATOM 0 HB3 ASP A 2 -42.342 6.206 3.712 1.00 24.22 H new ATOM 20 N SER A 3 -41.492 3.453 1.254 1.00 11.23 N ATOM 21 CA SER A 3 -40.847 2.361 0.537 1.00 71.33 C ATOM 22 C SER A 3 -39.347 2.340 0.813 1.00 40.32 C ATOM 23 O SER A 3 -38.830 3.184 1.543 1.00 3.04 O ATOM 24 CB SER A 3 -41.101 2.490 -0.967 1.00 33.52 C ATOM 25 OG SER A 3 -42.012 3.539 -1.246 1.00 41.25 O ATOM 0 H SER A 3 -41.044 4.361 1.128 1.00 11.23 H new ATOM 0 HA SER A 3 -41.276 1.423 0.891 1.00 71.33 H new ATOM 0 HB2 SER A 3 -40.159 2.677 -1.483 1.00 33.52 H new ATOM 0 HB3 SER A 3 -41.495 1.550 -1.354 1.00 33.52 H new ATOM 0 HG SER A 3 -42.154 3.600 -2.214 1.00 41.25 H new ATOM 31 N GLU A 4 -38.654 1.375 0.216 1.00 42.13 N ATOM 32 CA GLU A 4 -37.213 1.244 0.398 1.00 72.25 C ATOM 33 C GLU A 4 -36.646 0.167 -0.522 1.00 61.35 C ATOM 34 O GLU A 4 -36.954 -1.017 -0.377 1.00 0.22 O ATOM 35 CB GLU A 4 -36.889 0.907 1.855 1.00 40.03 C ATOM 36 CG GLU A 4 -36.096 1.992 2.566 1.00 22.32 C ATOM 37 CD GLU A 4 -35.720 1.603 3.985 1.00 44.55 C ATOM 38 OE1 GLU A 4 -36.214 0.562 4.465 1.00 25.35 O ATOM 39 OE2 GLU A 4 -34.926 2.339 4.608 1.00 12.41 O ATOM 0 H GLU A 4 -39.067 0.673 -0.398 1.00 42.13 H new ATOM 0 HA GLU A 4 -36.751 2.198 0.142 1.00 72.25 H new ATOM 0 HB2 GLU A 4 -37.820 0.735 2.396 1.00 40.03 H new ATOM 0 HB3 GLU A 4 -36.325 -0.025 1.887 1.00 40.03 H new ATOM 0 HG2 GLU A 4 -35.190 2.206 1.999 1.00 22.32 H new ATOM 0 HG3 GLU A 4 -36.682 2.911 2.588 1.00 22.32 H new ATOM 46 N LEU A 5 -35.819 0.585 -1.474 1.00 41.11 N ATOM 47 CA LEU A 5 -35.206 -0.340 -2.420 1.00 64.11 C ATOM 48 C LEU A 5 -33.696 -0.412 -2.211 1.00 74.51 C ATOM 49 O LEU A 5 -33.142 0.282 -1.359 1.00 45.12 O ATOM 50 CB LEU A 5 -35.516 0.086 -3.856 1.00 51.04 C ATOM 51 CG LEU A 5 -35.318 1.570 -4.171 1.00 1.13 C ATOM 52 CD1 LEU A 5 -34.739 1.747 -5.566 1.00 45.44 C ATOM 53 CD2 LEU A 5 -36.635 2.322 -4.040 1.00 14.42 C ATOM 0 H LEU A 5 -35.557 1.561 -1.611 1.00 41.11 H new ATOM 0 HA LEU A 5 -35.625 -1.331 -2.245 1.00 64.11 H new ATOM 0 HB2 LEU A 5 -34.888 -0.496 -4.531 1.00 51.04 H new ATOM 0 HB3 LEU A 5 -36.550 -0.178 -4.077 1.00 51.04 H new ATOM 0 HG LEU A 5 -34.612 1.984 -3.451 1.00 1.13 H new ATOM 0 HD11 LEU A 5 -34.605 2.809 -5.772 1.00 45.44 H new ATOM 0 HD12 LEU A 5 -33.775 1.241 -5.627 1.00 45.44 H new ATOM 0 HD13 LEU A 5 -35.421 1.318 -6.300 1.00 45.44 H new ATOM 0 HD21 LEU A 5 -36.476 3.376 -4.267 1.00 14.42 H new ATOM 0 HD22 LEU A 5 -37.362 1.906 -4.737 1.00 14.42 H new ATOM 0 HD23 LEU A 5 -37.011 2.223 -3.022 1.00 14.42 H new ATOM 65 N THR A 6 -33.035 -1.256 -2.998 1.00 5.22 N ATOM 66 CA THR A 6 -31.590 -1.418 -2.904 1.00 25.14 C ATOM 67 C THR A 6 -31.056 -2.265 -4.054 1.00 1.03 C ATOM 68 O THR A 6 -31.800 -3.017 -4.683 1.00 75.34 O ATOM 69 CB THR A 6 -31.187 -2.069 -1.568 1.00 22.24 C ATOM 70 OG1 THR A 6 -29.792 -2.383 -1.581 1.00 11.23 O ATOM 71 CG2 THR A 6 -31.992 -3.336 -1.316 1.00 51.12 C ATOM 0 H THR A 6 -33.479 -1.838 -3.708 1.00 5.22 H new ATOM 0 HA THR A 6 -31.153 -0.421 -2.960 1.00 25.14 H new ATOM 0 HB THR A 6 -31.395 -1.360 -0.767 1.00 22.24 H new ATOM 0 HG1 THR A 6 -29.542 -2.795 -0.728 1.00 11.23 H new ATOM 0 HG21 THR A 6 -31.689 -3.777 -0.366 1.00 51.12 H new ATOM 0 HG22 THR A 6 -33.054 -3.091 -1.280 1.00 51.12 H new ATOM 0 HG23 THR A 6 -31.811 -4.048 -2.121 1.00 51.12 H new ATOM 79 N THR A 7 -29.759 -2.143 -4.322 1.00 32.44 N ATOM 80 CA THR A 7 -29.122 -2.897 -5.394 1.00 12.32 C ATOM 81 C THR A 7 -27.604 -2.815 -5.294 1.00 54.14 C ATOM 82 O THR A 7 -27.054 -1.765 -4.965 1.00 22.34 O ATOM 83 CB THR A 7 -29.570 -2.391 -6.776 1.00 24.35 C ATOM 84 OG1 THR A 7 -28.787 -3.009 -7.800 1.00 45.31 O ATOM 85 CG2 THR A 7 -29.434 -0.880 -6.865 1.00 62.41 C ATOM 0 H THR A 7 -29.128 -1.527 -3.809 1.00 32.44 H new ATOM 0 HA THR A 7 -29.431 -3.936 -5.282 1.00 12.32 H new ATOM 0 HB THR A 7 -30.619 -2.654 -6.915 1.00 24.35 H new ATOM 0 HG1 THR A 7 -29.079 -2.683 -8.677 1.00 45.31 H new ATOM 0 HG21 THR A 7 -29.756 -0.543 -7.850 1.00 62.41 H new ATOM 0 HG22 THR A 7 -30.055 -0.413 -6.101 1.00 62.41 H new ATOM 0 HG23 THR A 7 -28.393 -0.599 -6.708 1.00 62.41 H new ATOM 93 N GLN A 8 -26.935 -3.928 -5.575 1.00 54.03 N ATOM 94 CA GLN A 8 -25.480 -3.977 -5.526 1.00 73.32 C ATOM 95 C GLN A 8 -24.869 -3.346 -6.774 1.00 22.15 C ATOM 96 O GLN A 8 -25.502 -3.291 -7.826 1.00 53.32 O ATOM 97 CB GLN A 8 -25.006 -5.424 -5.382 1.00 60.24 C ATOM 98 CG GLN A 8 -24.749 -5.844 -3.945 1.00 23.22 C ATOM 99 CD GLN A 8 -25.198 -7.263 -3.662 1.00 34.35 C ATOM 100 OE1 GLN A 8 -25.531 -8.020 -4.573 1.00 34.12 O ATOM 101 NE2 GLN A 8 -25.212 -7.633 -2.387 1.00 65.31 N ATOM 0 H GLN A 8 -27.378 -4.808 -5.839 1.00 54.03 H new ATOM 0 HA GLN A 8 -25.149 -3.405 -4.659 1.00 73.32 H new ATOM 0 HB2 GLN A 8 -25.755 -6.087 -5.816 1.00 60.24 H new ATOM 0 HB3 GLN A 8 -24.091 -5.556 -5.959 1.00 60.24 H new ATOM 0 HG2 GLN A 8 -23.684 -5.754 -3.729 1.00 23.22 H new ATOM 0 HG3 GLN A 8 -25.269 -5.162 -3.273 1.00 23.22 H new ATOM 0 HE21 GLN A 8 -24.928 -6.974 -1.662 1.00 65.31 H new ATOM 0 HE22 GLN A 8 -25.507 -8.576 -2.133 1.00 65.31 H new ATOM 110 N ASP A 9 -23.634 -2.871 -6.647 1.00 1.01 N ATOM 111 CA ASP A 9 -22.934 -2.245 -7.764 1.00 34.14 C ATOM 112 C ASP A 9 -21.437 -2.153 -7.487 1.00 21.42 C ATOM 113 O ASP A 9 -20.765 -1.225 -7.934 1.00 42.23 O ATOM 114 CB ASP A 9 -23.502 -0.851 -8.030 1.00 53.42 C ATOM 115 CG ASP A 9 -23.376 -0.441 -9.483 1.00 43.25 C ATOM 116 OD1 ASP A 9 -22.236 -0.205 -9.939 1.00 14.34 O ATOM 117 OD2 ASP A 9 -24.417 -0.360 -10.170 1.00 1.42 O ATOM 0 H ASP A 9 -23.097 -2.908 -5.781 1.00 1.01 H new ATOM 0 HA ASP A 9 -23.083 -2.866 -8.647 1.00 34.14 H new ATOM 0 HB2 ASP A 9 -24.552 -0.829 -7.739 1.00 53.42 H new ATOM 0 HB3 ASP A 9 -22.982 -0.125 -7.405 1.00 53.42 H new ATOM 122 N GLY A 10 -20.919 -3.119 -6.733 1.00 41.51 N ATOM 123 CA GLY A 10 -19.505 -3.131 -6.406 1.00 74.11 C ATOM 124 C GLY A 10 -19.255 -2.962 -4.921 1.00 43.51 C ATOM 125 O GLY A 10 -19.894 -2.138 -4.268 1.00 11.23 O ATOM 0 H GLY A 10 -21.455 -3.894 -6.343 1.00 41.51 H new ATOM 0 HA2 GLY A 10 -19.065 -4.070 -6.741 1.00 74.11 H new ATOM 0 HA3 GLY A 10 -19.002 -2.331 -6.950 1.00 74.11 H new ATOM 129 N GLU A 11 -18.322 -3.744 -4.386 1.00 44.14 N ATOM 130 CA GLU A 11 -17.987 -3.679 -2.970 1.00 14.33 C ATOM 131 C GLU A 11 -17.487 -2.287 -2.593 1.00 11.03 C ATOM 132 O GLU A 11 -17.164 -1.474 -3.459 1.00 20.51 O ATOM 133 CB GLU A 11 -16.926 -4.723 -2.624 1.00 24.31 C ATOM 134 CG GLU A 11 -16.967 -5.176 -1.174 1.00 11.34 C ATOM 135 CD GLU A 11 -17.199 -6.668 -1.037 1.00 34.30 C ATOM 136 OE1 GLU A 11 -17.990 -7.219 -1.831 1.00 11.22 O ATOM 137 OE2 GLU A 11 -16.598 -7.279 -0.130 1.00 31.21 O ATOM 0 H GLU A 11 -17.784 -4.431 -4.914 1.00 44.14 H new ATOM 0 HA GLU A 11 -18.892 -3.889 -2.400 1.00 14.33 H new ATOM 0 HB2 GLU A 11 -17.058 -5.591 -3.271 1.00 24.31 H new ATOM 0 HB3 GLU A 11 -15.940 -4.312 -2.839 1.00 24.31 H new ATOM 0 HG2 GLU A 11 -16.028 -4.912 -0.688 1.00 11.34 H new ATOM 0 HG3 GLU A 11 -17.759 -4.639 -0.651 1.00 11.34 H new ATOM 144 N ASP A 12 -17.428 -2.018 -1.293 1.00 52.22 N ATOM 145 CA ASP A 12 -16.976 -0.724 -0.798 1.00 51.42 C ATOM 146 C ASP A 12 -15.491 -0.768 -0.460 1.00 23.34 C ATOM 147 O ASP A 12 -14.993 -1.765 0.065 1.00 63.23 O ATOM 148 CB ASP A 12 -17.784 -0.309 0.433 1.00 13.24 C ATOM 149 CG ASP A 12 -18.282 1.121 0.346 1.00 5.42 C ATOM 150 OD1 ASP A 12 -17.484 2.041 0.626 1.00 22.11 O ATOM 151 OD2 ASP A 12 -19.460 1.316 -0.019 1.00 21.24 O ATOM 0 H ASP A 12 -17.688 -2.681 -0.562 1.00 52.22 H new ATOM 0 HA ASP A 12 -17.132 0.015 -1.584 1.00 51.42 H new ATOM 0 HB2 ASP A 12 -18.635 -0.980 0.548 1.00 13.24 H new ATOM 0 HB3 ASP A 12 -17.166 -0.422 1.324 1.00 13.24 H new ATOM 156 N PHE A 13 -14.787 0.318 -0.759 1.00 65.14 N ATOM 157 CA PHE A 13 -13.357 0.403 -0.485 1.00 52.42 C ATOM 158 C PHE A 13 -13.073 0.179 0.997 1.00 41.01 C ATOM 159 O PHE A 13 -12.000 -0.295 1.369 1.00 1.31 O ATOM 160 CB PHE A 13 -12.813 1.766 -0.919 1.00 60.11 C ATOM 161 CG PHE A 13 -13.642 2.924 -0.440 1.00 24.45 C ATOM 162 CD1 PHE A 13 -13.523 3.387 0.861 1.00 13.13 C ATOM 163 CD2 PHE A 13 -14.539 3.548 -1.290 1.00 53.34 C ATOM 164 CE1 PHE A 13 -14.290 4.449 1.306 1.00 55.01 C ATOM 165 CE2 PHE A 13 -15.308 4.613 -0.853 1.00 34.20 C ATOM 166 CZ PHE A 13 -15.190 5.060 0.451 1.00 21.22 C ATOM 0 H PHE A 13 -15.183 1.152 -1.191 1.00 65.14 H new ATOM 0 HA PHE A 13 -12.856 -0.379 -1.056 1.00 52.42 H new ATOM 0 HB2 PHE A 13 -11.796 1.878 -0.544 1.00 60.11 H new ATOM 0 HB3 PHE A 13 -12.756 1.796 -2.007 1.00 60.11 H new ATOM 0 HD1 PHE A 13 -12.824 2.914 1.535 1.00 13.13 H new ATOM 0 HD2 PHE A 13 -14.640 3.199 -2.307 1.00 53.34 H new ATOM 0 HE1 PHE A 13 -14.186 4.801 2.322 1.00 55.01 H new ATOM 0 HE2 PHE A 13 -15.999 5.094 -1.529 1.00 34.20 H new ATOM 0 HZ PHE A 13 -15.798 5.882 0.800 1.00 21.22 H new ATOM 176 N LYS A 14 -14.040 0.524 1.840 1.00 4.53 N ATOM 177 CA LYS A 14 -13.897 0.358 3.281 1.00 12.32 C ATOM 178 C LYS A 14 -14.443 -0.993 3.731 1.00 51.05 C ATOM 179 O LYS A 14 -14.277 -1.385 4.884 1.00 5.51 O ATOM 180 CB LYS A 14 -14.624 1.486 4.018 1.00 35.32 C ATOM 181 CG LYS A 14 -13.730 2.668 4.353 1.00 23.23 C ATOM 182 CD LYS A 14 -12.885 2.396 5.588 1.00 51.01 C ATOM 183 CE LYS A 14 -11.615 3.234 5.589 1.00 22.44 C ATOM 184 NZ LYS A 14 -10.774 2.963 6.787 1.00 13.31 N ATOM 0 H LYS A 14 -14.933 0.921 1.549 1.00 4.53 H new ATOM 0 HA LYS A 14 -12.835 0.398 3.523 1.00 12.32 H new ATOM 0 HB2 LYS A 14 -15.456 1.832 3.405 1.00 35.32 H new ATOM 0 HB3 LYS A 14 -15.051 1.091 4.940 1.00 35.32 H new ATOM 0 HG2 LYS A 14 -13.079 2.885 3.506 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -14.343 3.554 4.518 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -13.467 2.614 6.484 1.00 51.01 H new ATOM 0 HD3 LYS A 14 -12.625 1.338 5.626 1.00 51.01 H new ATOM 0 HE2 LYS A 14 -11.041 3.024 4.687 1.00 22.44 H new ATOM 0 HE3 LYS A 14 -11.877 4.292 5.561 1.00 22.44 H new ATOM 0 HZ1 LYS A 14 -9.918 3.553 6.751 1.00 13.31 H new ATOM 0 HZ2 LYS A 14 -11.313 3.187 7.648 1.00 13.31 H new ATOM 0 HZ3 LYS A 14 -10.502 1.959 6.800 1.00 13.31 H new ATOM 198 N SER A 15 -15.091 -1.703 2.813 1.00 53.33 N ATOM 199 CA SER A 15 -15.662 -3.009 3.116 1.00 12.32 C ATOM 200 C SER A 15 -14.587 -4.090 3.097 1.00 63.22 C ATOM 201 O SER A 15 -14.589 -4.999 3.927 1.00 24.21 O ATOM 202 CB SER A 15 -16.763 -3.354 2.112 1.00 62.53 C ATOM 203 OG SER A 15 -17.706 -4.248 2.685 1.00 24.50 O ATOM 0 H SER A 15 -15.234 -1.394 1.851 1.00 53.33 H new ATOM 0 HA SER A 15 -16.092 -2.965 4.117 1.00 12.32 H new ATOM 0 HB2 SER A 15 -17.268 -2.443 1.791 1.00 62.53 H new ATOM 0 HB3 SER A 15 -16.322 -3.804 1.223 1.00 62.53 H new ATOM 0 HG SER A 15 -18.402 -4.455 2.027 1.00 24.50 H new ATOM 209 N PHE A 16 -13.674 -3.993 2.135 1.00 31.23 N ATOM 210 CA PHE A 16 -12.592 -4.962 2.007 1.00 40.21 C ATOM 211 C PHE A 16 -11.362 -4.511 2.791 1.00 12.43 C ATOM 212 O PHE A 16 -10.422 -5.280 2.993 1.00 42.02 O ATOM 213 CB PHE A 16 -12.230 -5.160 0.534 1.00 74.14 C ATOM 214 CG PHE A 16 -11.231 -4.163 0.022 1.00 4.32 C ATOM 215 CD1 PHE A 16 -11.583 -2.832 -0.143 1.00 3.23 C ATOM 216 CD2 PHE A 16 -9.938 -4.556 -0.290 1.00 20.40 C ATOM 217 CE1 PHE A 16 -10.663 -1.911 -0.613 1.00 12.45 C ATOM 218 CE2 PHE A 16 -9.016 -3.639 -0.761 1.00 21.40 C ATOM 219 CZ PHE A 16 -9.378 -2.315 -0.923 1.00 54.15 C ATOM 0 H PHE A 16 -13.662 -3.253 1.433 1.00 31.23 H new ATOM 0 HA PHE A 16 -12.935 -5.911 2.420 1.00 40.21 H new ATOM 0 HB2 PHE A 16 -11.830 -6.165 0.399 1.00 74.14 H new ATOM 0 HB3 PHE A 16 -13.137 -5.094 -0.067 1.00 74.14 H new ATOM 0 HD1 PHE A 16 -12.586 -2.511 0.098 1.00 3.23 H new ATOM 0 HD2 PHE A 16 -9.648 -5.589 -0.164 1.00 20.40 H new ATOM 0 HE1 PHE A 16 -10.949 -0.877 -0.737 1.00 12.45 H new ATOM 0 HE2 PHE A 16 -8.013 -3.958 -1.002 1.00 21.40 H new ATOM 0 HZ PHE A 16 -8.659 -1.598 -1.291 1.00 54.15 H new ATOM 229 N LEU A 17 -11.374 -3.257 3.232 1.00 73.52 N ATOM 230 CA LEU A 17 -10.262 -2.701 3.992 1.00 71.33 C ATOM 231 C LEU A 17 -10.114 -3.408 5.334 1.00 13.31 C ATOM 232 O LEU A 17 -9.143 -4.127 5.566 1.00 3.51 O ATOM 233 CB LEU A 17 -10.464 -1.201 4.207 1.00 21.33 C ATOM 234 CG LEU A 17 -9.189 -0.367 4.330 1.00 11.33 C ATOM 235 CD1 LEU A 17 -8.348 -0.843 5.504 1.00 13.00 C ATOM 236 CD2 LEU A 17 -8.385 -0.426 3.037 1.00 54.15 C ATOM 0 H LEU A 17 -12.144 -2.606 3.075 1.00 73.52 H new ATOM 0 HA LEU A 17 -9.348 -2.857 3.420 1.00 71.33 H new ATOM 0 HB2 LEU A 17 -11.052 -0.810 3.376 1.00 21.33 H new ATOM 0 HB3 LEU A 17 -11.056 -1.060 5.111 1.00 21.33 H new ATOM 0 HG LEU A 17 -9.474 0.669 4.511 1.00 11.33 H new ATOM 0 HD11 LEU A 17 -7.445 -0.237 5.574 1.00 13.00 H new ATOM 0 HD12 LEU A 17 -8.922 -0.747 6.426 1.00 13.00 H new ATOM 0 HD13 LEU A 17 -8.073 -1.887 5.355 1.00 13.00 H new ATOM 0 HD21 LEU A 17 -7.481 0.173 3.143 1.00 54.15 H new ATOM 0 HD22 LEU A 17 -8.112 -1.460 2.825 1.00 54.15 H new ATOM 0 HD23 LEU A 17 -8.986 -0.034 2.217 1.00 54.15 H new ATOM 248 N ASP A 18 -11.088 -3.204 6.213 1.00 1.14 N ATOM 249 CA ASP A 18 -11.070 -3.820 7.534 1.00 20.34 C ATOM 250 C ASP A 18 -10.935 -5.336 7.423 1.00 2.05 C ATOM 251 O ASP A 18 -10.516 -6.006 8.368 1.00 51.24 O ATOM 252 CB ASP A 18 -12.340 -3.462 8.308 1.00 44.01 C ATOM 253 CG ASP A 18 -12.709 -1.998 8.170 1.00 0.00 C ATOM 254 OD1 ASP A 18 -11.819 -1.140 8.355 1.00 34.34 O ATOM 255 OD2 ASP A 18 -13.888 -1.713 7.877 1.00 53.05 O ATOM 0 H ASP A 18 -11.902 -2.616 6.034 1.00 1.14 H new ATOM 0 HA ASP A 18 -10.206 -3.434 8.076 1.00 20.34 H new ATOM 0 HB2 ASP A 18 -13.166 -4.077 7.950 1.00 44.01 H new ATOM 0 HB3 ASP A 18 -12.199 -3.700 9.362 1.00 44.01 H new ATOM 260 N LYS A 19 -11.295 -5.876 6.264 1.00 73.14 N ATOM 261 CA LYS A 19 -11.216 -7.311 6.029 1.00 64.45 C ATOM 262 C LYS A 19 -9.762 -7.766 5.940 1.00 34.51 C ATOM 263 O LYS A 19 -9.350 -8.697 6.634 1.00 3.02 O ATOM 264 CB LYS A 19 -11.958 -7.676 4.743 1.00 64.34 C ATOM 265 CG LYS A 19 -13.148 -8.592 4.963 1.00 31.21 C ATOM 266 CD LYS A 19 -13.377 -9.512 3.775 1.00 51.35 C ATOM 267 CE LYS A 19 -14.835 -9.510 3.342 1.00 22.13 C ATOM 268 NZ LYS A 19 -15.681 -10.340 4.240 1.00 21.45 N ATOM 0 H LYS A 19 -11.645 -5.339 5.471 1.00 73.14 H new ATOM 0 HA LYS A 19 -11.686 -7.822 6.869 1.00 64.45 H new ATOM 0 HB2 LYS A 19 -12.300 -6.761 4.259 1.00 64.34 H new ATOM 0 HB3 LYS A 19 -11.262 -8.158 4.057 1.00 64.34 H new ATOM 0 HG2 LYS A 19 -12.986 -9.190 5.860 1.00 31.21 H new ATOM 0 HG3 LYS A 19 -14.042 -7.992 5.136 1.00 31.21 H new ATOM 0 HD2 LYS A 19 -12.749 -9.196 2.942 1.00 51.35 H new ATOM 0 HD3 LYS A 19 -13.075 -10.526 4.035 1.00 51.35 H new ATOM 0 HE2 LYS A 19 -15.210 -8.487 3.334 1.00 22.13 H new ATOM 0 HE3 LYS A 19 -14.911 -9.886 2.322 1.00 22.13 H new ATOM 0 HZ1 LYS A 19 -16.667 -10.313 3.911 1.00 21.45 H new ATOM 0 HZ2 LYS A 19 -15.339 -11.322 4.229 1.00 21.45 H new ATOM 0 HZ3 LYS A 19 -15.629 -9.966 5.209 1.00 21.45 H new ATOM 282 N PHE A 20 -8.994 -7.110 5.076 1.00 23.22 N ATOM 283 CA PHE A 20 -7.588 -7.448 4.895 1.00 45.22 C ATOM 284 C PHE A 20 -6.777 -7.066 6.130 1.00 63.32 C ATOM 285 O PHE A 20 -5.753 -7.681 6.425 1.00 5.02 O ATOM 286 CB PHE A 20 -7.024 -6.737 3.661 1.00 32.24 C ATOM 287 CG PHE A 20 -6.276 -5.472 3.980 1.00 5.43 C ATOM 288 CD1 PHE A 20 -4.968 -5.527 4.438 1.00 3.04 C ATOM 289 CD2 PHE A 20 -6.867 -4.224 3.831 1.00 64.14 C ATOM 290 CE1 PHE A 20 -4.276 -4.367 4.738 1.00 40.21 C ATOM 291 CE2 PHE A 20 -6.185 -3.066 4.117 1.00 21.20 C ATOM 292 CZ PHE A 20 -4.885 -3.136 4.575 1.00 13.03 C ATOM 0 H PHE A 20 -9.322 -6.342 4.491 1.00 23.22 H new ATOM 0 HA PHE A 20 -7.514 -8.526 4.749 1.00 45.22 H new ATOM 0 HB2 PHE A 20 -6.358 -7.419 3.133 1.00 32.24 H new ATOM 0 HB3 PHE A 20 -7.844 -6.502 2.982 1.00 32.24 H new ATOM 0 HD1 PHE A 20 -4.485 -6.485 4.562 1.00 3.04 H new ATOM 0 HD2 PHE A 20 -7.887 -4.162 3.482 1.00 64.14 H new ATOM 0 HE1 PHE A 20 -3.260 -4.423 5.100 1.00 40.21 H new ATOM 0 HE2 PHE A 20 -6.663 -2.107 3.984 1.00 21.20 H new ATOM 0 HZ PHE A 20 -4.344 -2.230 4.806 1.00 13.03 H new ATOM 302 N THR A 21 -7.238 -6.045 6.845 1.00 2.10 N ATOM 303 CA THR A 21 -6.553 -5.579 8.044 1.00 71.33 C ATOM 304 C THR A 21 -6.672 -6.596 9.172 1.00 34.33 C ATOM 305 O THR A 21 -5.809 -6.673 10.044 1.00 63.12 O ATOM 306 CB THR A 21 -7.118 -4.231 8.523 1.00 64.33 C ATOM 307 OG1 THR A 21 -8.441 -4.406 9.031 1.00 1.04 O ATOM 308 CG2 THR A 21 -7.145 -3.217 7.398 1.00 43.34 C ATOM 0 H THR A 21 -8.084 -5.524 6.614 1.00 2.10 H new ATOM 0 HA THR A 21 -5.503 -5.452 7.781 1.00 71.33 H new ATOM 0 HB THR A 21 -6.466 -3.858 9.313 1.00 64.33 H new ATOM 0 HG1 THR A 21 -8.852 -5.190 8.611 1.00 1.04 H new ATOM 0 HG21 THR A 21 -7.549 -2.275 7.767 1.00 43.34 H new ATOM 0 HG22 THR A 21 -6.132 -3.057 7.028 1.00 43.34 H new ATOM 0 HG23 THR A 21 -7.773 -3.589 6.588 1.00 43.34 H new ATOM 316 N SER A 22 -7.747 -7.377 9.151 1.00 31.34 N ATOM 317 CA SER A 22 -7.981 -8.388 10.175 1.00 63.43 C ATOM 318 C SER A 22 -7.512 -9.760 9.700 1.00 61.13 C ATOM 319 O SER A 22 -7.947 -10.788 10.217 1.00 42.23 O ATOM 320 CB SER A 22 -9.465 -8.437 10.542 1.00 22.32 C ATOM 321 OG SER A 22 -9.702 -7.806 11.789 1.00 53.54 O ATOM 0 H SER A 22 -8.471 -7.329 8.434 1.00 31.34 H new ATOM 0 HA SER A 22 -7.406 -8.116 11.060 1.00 63.43 H new ATOM 0 HB2 SER A 22 -10.052 -7.947 9.765 1.00 22.32 H new ATOM 0 HB3 SER A 22 -9.798 -9.474 10.586 1.00 22.32 H new ATOM 0 HG SER A 22 -10.658 -7.849 12.001 1.00 53.54 H new ATOM 327 N SER A 23 -6.628 -9.769 8.707 1.00 54.15 N ATOM 328 CA SER A 23 -6.099 -11.012 8.163 1.00 24.31 C ATOM 329 C SER A 23 -4.680 -10.823 7.643 1.00 43.43 C ATOM 330 O SER A 23 -4.310 -9.734 7.202 1.00 61.41 O ATOM 331 CB SER A 23 -6.989 -11.514 7.032 1.00 33.12 C ATOM 332 OG SER A 23 -8.075 -12.239 7.537 1.00 42.54 O ATOM 0 H SER A 23 -6.263 -8.926 8.263 1.00 54.15 H new ATOM 0 HA SER A 23 -6.081 -11.747 8.968 1.00 24.31 H new ATOM 0 HB2 SER A 23 -7.351 -10.669 6.446 1.00 33.12 H new ATOM 0 HB3 SER A 23 -6.408 -12.143 6.358 1.00 33.12 H new ATOM 0 HG SER A 23 -8.231 -11.986 8.471 1.00 42.54 H new ATOM 338 N ALA A 24 -3.893 -11.887 7.670 1.00 1.03 N ATOM 339 CA ALA A 24 -2.514 -11.848 7.218 1.00 15.24 C ATOM 340 C ALA A 24 -2.359 -12.585 5.894 1.00 3.23 C ATOM 341 O ALA A 24 -1.581 -12.178 5.032 1.00 40.12 O ATOM 342 CB ALA A 24 -1.581 -12.434 8.265 1.00 3.01 C ATOM 0 H ALA A 24 -4.194 -12.802 8.006 1.00 1.03 H new ATOM 0 HA ALA A 24 -2.241 -10.804 7.065 1.00 15.24 H new ATOM 0 HB1 ALA A 24 -0.554 -12.393 7.901 1.00 3.01 H new ATOM 0 HB2 ALA A 24 -1.663 -11.859 9.188 1.00 3.01 H new ATOM 0 HB3 ALA A 24 -1.856 -13.471 8.458 1.00 3.01 H new ATOM 348 N ALA A 25 -3.106 -13.671 5.735 1.00 71.32 N ATOM 349 CA ALA A 25 -3.054 -14.464 4.513 1.00 3.35 C ATOM 350 C ALA A 25 -4.104 -13.998 3.512 1.00 40.43 C ATOM 351 O ALA A 25 -4.209 -14.540 2.412 1.00 71.32 O ATOM 352 CB ALA A 25 -3.243 -15.939 4.833 1.00 4.42 C ATOM 0 H ALA A 25 -3.756 -14.023 6.438 1.00 71.32 H new ATOM 0 HA ALA A 25 -2.072 -14.325 4.060 1.00 3.35 H new ATOM 0 HB1 ALA A 25 -3.202 -16.519 3.911 1.00 4.42 H new ATOM 0 HB2 ALA A 25 -2.452 -16.270 5.506 1.00 4.42 H new ATOM 0 HB3 ALA A 25 -4.211 -16.086 5.312 1.00 4.42 H new ATOM 358 N PHE A 26 -4.872 -12.982 3.891 1.00 13.12 N ATOM 359 CA PHE A 26 -5.914 -12.444 3.026 1.00 44.45 C ATOM 360 C PHE A 26 -5.364 -11.323 2.148 1.00 15.43 C ATOM 361 O PHE A 26 -5.959 -10.970 1.131 1.00 71.14 O ATOM 362 CB PHE A 26 -7.084 -11.925 3.862 1.00 23.35 C ATOM 363 CG PHE A 26 -8.329 -11.678 3.062 1.00 14.45 C ATOM 364 CD1 PHE A 26 -9.257 -12.691 2.867 1.00 3.54 C ATOM 365 CD2 PHE A 26 -8.571 -10.432 2.505 1.00 0.30 C ATOM 366 CE1 PHE A 26 -10.405 -12.464 2.130 1.00 35.40 C ATOM 367 CE2 PHE A 26 -9.717 -10.203 1.767 1.00 2.20 C ATOM 368 CZ PHE A 26 -10.636 -11.218 1.579 1.00 2.44 C ATOM 0 H PHE A 26 -4.792 -12.514 4.794 1.00 13.12 H new ATOM 0 HA PHE A 26 -6.268 -13.248 2.381 1.00 44.45 H new ATOM 0 HB2 PHE A 26 -7.305 -12.645 4.650 1.00 23.35 H new ATOM 0 HB3 PHE A 26 -6.787 -10.998 4.352 1.00 23.35 H new ATOM 0 HD1 PHE A 26 -9.081 -13.667 3.295 1.00 3.54 H new ATOM 0 HD2 PHE A 26 -7.858 -9.633 2.649 1.00 0.30 H new ATOM 0 HE1 PHE A 26 -11.120 -13.260 1.985 1.00 35.40 H new ATOM 0 HE2 PHE A 26 -9.895 -9.229 1.336 1.00 2.20 H new ATOM 0 HZ PHE A 26 -11.532 -11.038 1.003 1.00 2.44 H new ATOM 378 N GLN A 27 -4.226 -10.765 2.550 1.00 3.42 N ATOM 379 CA GLN A 27 -3.597 -9.684 1.802 1.00 22.34 C ATOM 380 C GLN A 27 -3.021 -10.198 0.485 1.00 0.23 C ATOM 381 O GLN A 27 -2.970 -9.471 -0.507 1.00 11.21 O ATOM 382 CB GLN A 27 -2.486 -9.025 2.635 1.00 73.34 C ATOM 383 CG GLN A 27 -2.670 -7.525 2.792 1.00 65.35 C ATOM 384 CD GLN A 27 -1.935 -6.980 3.997 1.00 63.33 C ATOM 385 OE1 GLN A 27 -1.038 -6.152 3.880 1.00 24.40 O ATOM 386 NE2 GLN A 27 -2.309 -7.441 5.166 1.00 12.23 N ATOM 0 H GLN A 27 -3.721 -11.045 3.391 1.00 3.42 H new ATOM 0 HA GLN A 27 -4.362 -8.940 1.582 1.00 22.34 H new ATOM 0 HB2 GLN A 27 -2.457 -9.487 3.622 1.00 73.34 H new ATOM 0 HB3 GLN A 27 -1.523 -9.220 2.164 1.00 73.34 H new ATOM 0 HG2 GLN A 27 -2.314 -7.021 1.893 1.00 65.35 H new ATOM 0 HG3 GLN A 27 -3.732 -7.299 2.884 1.00 65.35 H new ATOM 0 HE21 GLN A 27 -3.059 -8.130 5.226 1.00 12.23 H new ATOM 0 HE22 GLN A 27 -1.850 -7.111 6.015 1.00 12.23 H new ATOM 395 N TYR A 28 -2.587 -11.453 0.484 1.00 62.43 N ATOM 396 CA TYR A 28 -2.010 -12.063 -0.708 1.00 5.20 C ATOM 397 C TYR A 28 -3.091 -12.376 -1.738 1.00 3.04 C ATOM 398 O TYR A 28 -2.824 -12.432 -2.938 1.00 21.21 O ATOM 399 CB TYR A 28 -1.256 -13.342 -0.338 1.00 15.42 C ATOM 400 CG TYR A 28 -0.186 -13.131 0.708 1.00 4.00 C ATOM 401 CD1 TYR A 28 1.117 -12.811 0.341 1.00 0.01 C ATOM 402 CD2 TYR A 28 -0.476 -13.256 2.062 1.00 14.20 C ATOM 403 CE1 TYR A 28 2.101 -12.619 1.295 1.00 73.33 C ATOM 404 CE2 TYR A 28 0.501 -13.067 3.022 1.00 24.21 C ATOM 405 CZ TYR A 28 1.788 -12.746 2.635 1.00 40.15 C ATOM 406 OH TYR A 28 2.762 -12.560 3.585 1.00 22.31 O ATOM 0 H TYR A 28 -2.624 -12.069 1.296 1.00 62.43 H new ATOM 0 HA TYR A 28 -1.311 -11.351 -1.147 1.00 5.20 H new ATOM 0 HB2 TYR A 28 -1.969 -14.082 0.027 1.00 15.42 H new ATOM 0 HB3 TYR A 28 -0.798 -13.757 -1.236 1.00 15.42 H new ATOM 0 HD1 TYR A 28 1.365 -12.711 -0.705 1.00 0.01 H new ATOM 0 HD2 TYR A 28 -1.481 -13.505 2.369 1.00 14.20 H new ATOM 0 HE1 TYR A 28 3.108 -12.371 0.994 1.00 73.33 H new ATOM 0 HE2 TYR A 28 0.259 -13.170 4.070 1.00 24.21 H new ATOM 0 HH TYR A 28 2.377 -12.684 4.477 1.00 22.31 H new ATOM 416 N THR A 29 -4.316 -12.574 -1.262 1.00 12.02 N ATOM 417 CA THR A 29 -5.439 -12.882 -2.138 1.00 15.55 C ATOM 418 C THR A 29 -6.316 -11.654 -2.358 1.00 52.43 C ATOM 419 O THR A 29 -7.523 -11.683 -2.115 1.00 52.23 O ATOM 420 CB THR A 29 -6.299 -14.022 -1.564 1.00 52.33 C ATOM 421 OG1 THR A 29 -7.427 -14.249 -2.412 1.00 61.11 O ATOM 422 CG2 THR A 29 -6.771 -13.691 -0.158 1.00 35.43 C ATOM 0 H THR A 29 -4.556 -12.526 -0.272 1.00 12.02 H new ATOM 0 HA THR A 29 -5.021 -13.200 -3.093 1.00 15.55 H new ATOM 0 HB THR A 29 -5.689 -14.924 -1.518 1.00 52.33 H new ATOM 0 HG1 THR A 29 -8.000 -13.454 -2.414 1.00 61.11 H new ATOM 0 HG21 THR A 29 -7.377 -14.512 0.225 1.00 35.43 H new ATOM 0 HG22 THR A 29 -5.907 -13.544 0.490 1.00 35.43 H new ATOM 0 HG23 THR A 29 -7.368 -12.779 -0.180 1.00 35.43 H new ATOM 430 N ARG A 30 -5.704 -10.569 -2.821 1.00 3.05 N ATOM 431 CA ARG A 30 -6.430 -9.331 -3.072 1.00 11.00 C ATOM 432 C ARG A 30 -5.554 -8.326 -3.812 1.00 1.02 C ATOM 433 O ARG A 30 -5.588 -7.130 -3.527 1.00 13.20 O ATOM 434 CB ARG A 30 -6.918 -8.731 -1.752 1.00 44.34 C ATOM 435 CG ARG A 30 -5.797 -8.267 -0.839 1.00 11.55 C ATOM 436 CD ARG A 30 -6.074 -6.883 -0.273 1.00 0.15 C ATOM 437 NE ARG A 30 -4.847 -6.214 0.152 1.00 3.03 N ATOM 438 CZ ARG A 30 -4.817 -4.994 0.676 1.00 75.23 C ATOM 439 NH1 ARG A 30 -5.941 -4.315 0.837 1.00 34.40 N ATOM 440 NH2 ARG A 30 -3.664 -4.449 1.037 1.00 52.03 N ATOM 0 H ARG A 30 -4.707 -10.523 -3.030 1.00 3.05 H new ATOM 0 HA ARG A 30 -7.291 -9.561 -3.700 1.00 11.00 H new ATOM 0 HB2 ARG A 30 -7.572 -7.886 -1.967 1.00 44.34 H new ATOM 0 HB3 ARG A 30 -7.519 -9.473 -1.226 1.00 44.34 H new ATOM 0 HG2 ARG A 30 -5.675 -8.978 -0.021 1.00 11.55 H new ATOM 0 HG3 ARG A 30 -4.858 -8.253 -1.392 1.00 11.55 H new ATOM 0 HD2 ARG A 30 -6.576 -6.276 -1.026 1.00 0.15 H new ATOM 0 HD3 ARG A 30 -6.754 -6.967 0.574 1.00 0.15 H new ATOM 0 HE ARG A 30 -3.964 -6.712 0.040 1.00 3.03 H new ATOM 0 HH11 ARG A 30 -6.831 -4.728 0.559 1.00 34.40 H new ATOM 0 HH12 ARG A 30 -5.918 -3.378 1.239 1.00 34.40 H new ATOM 0 HH21 ARG A 30 -2.794 -4.967 0.913 1.00 52.03 H new ATOM 0 HH22 ARG A 30 -3.647 -3.512 1.439 1.00 52.03 H new ATOM 454 N VAL A 31 -4.763 -8.819 -4.758 1.00 24.32 N ATOM 455 CA VAL A 31 -3.876 -7.964 -5.537 1.00 1.42 C ATOM 456 C VAL A 31 -3.796 -8.432 -6.984 1.00 71.35 C ATOM 457 O VAL A 31 -3.937 -9.622 -7.270 1.00 11.34 O ATOM 458 CB VAL A 31 -2.458 -7.934 -4.936 1.00 54.44 C ATOM 459 CG1 VAL A 31 -1.623 -6.845 -5.593 1.00 1.40 C ATOM 460 CG2 VAL A 31 -2.519 -7.732 -3.429 1.00 54.02 C ATOM 0 H VAL A 31 -4.718 -9.808 -5.004 1.00 24.32 H new ATOM 0 HA VAL A 31 -4.295 -6.958 -5.508 1.00 1.42 H new ATOM 0 HB VAL A 31 -1.981 -8.894 -5.131 1.00 54.44 H new ATOM 0 HG11 VAL A 31 -0.625 -6.839 -5.156 1.00 1.40 H new ATOM 0 HG12 VAL A 31 -1.549 -7.039 -6.663 1.00 1.40 H new ATOM 0 HG13 VAL A 31 -2.096 -5.876 -5.431 1.00 1.40 H new ATOM 0 HG21 VAL A 31 -1.508 -7.714 -3.023 1.00 54.02 H new ATOM 0 HG22 VAL A 31 -3.016 -6.787 -3.208 1.00 54.02 H new ATOM 0 HG23 VAL A 31 -3.077 -8.550 -2.975 1.00 54.02 H new ATOM 470 N LYS A 32 -3.566 -7.492 -7.894 1.00 51.44 N ATOM 471 CA LYS A 32 -3.462 -7.804 -9.314 1.00 21.13 C ATOM 472 C LYS A 32 -2.077 -7.454 -9.847 1.00 11.54 C ATOM 473 O LYS A 32 -1.765 -6.284 -10.065 1.00 13.30 O ATOM 474 CB LYS A 32 -4.533 -7.046 -10.100 1.00 1.14 C ATOM 475 CG LYS A 32 -5.907 -7.688 -10.031 1.00 12.41 C ATOM 476 CD LYS A 32 -6.087 -8.739 -11.114 1.00 3.12 C ATOM 477 CE LYS A 32 -7.486 -9.332 -11.083 1.00 21.11 C ATOM 478 NZ LYS A 32 -7.936 -9.772 -12.429 1.00 64.22 N ATOM 0 H LYS A 32 -3.448 -6.504 -7.672 1.00 51.44 H new ATOM 0 HA LYS A 32 -3.618 -8.875 -9.440 1.00 21.13 H new ATOM 0 HB2 LYS A 32 -4.598 -6.027 -9.719 1.00 1.14 H new ATOM 0 HB3 LYS A 32 -4.225 -6.977 -11.143 1.00 1.14 H new ATOM 0 HG2 LYS A 32 -6.047 -8.146 -9.052 1.00 12.41 H new ATOM 0 HG3 LYS A 32 -6.674 -6.921 -10.137 1.00 12.41 H new ATOM 0 HD2 LYS A 32 -5.901 -8.293 -12.091 1.00 3.12 H new ATOM 0 HD3 LYS A 32 -5.351 -9.532 -10.980 1.00 3.12 H new ATOM 0 HE2 LYS A 32 -7.504 -10.181 -10.400 1.00 21.11 H new ATOM 0 HE3 LYS A 32 -8.184 -8.592 -10.692 1.00 21.11 H new ATOM 0 HZ1 LYS A 32 -8.654 -10.518 -12.328 1.00 64.22 H new ATOM 0 HZ2 LYS A 32 -8.346 -8.964 -12.940 1.00 64.22 H new ATOM 0 HZ3 LYS A 32 -7.124 -10.143 -12.962 1.00 64.22 H new ATOM 492 N PHE A 33 -1.252 -8.475 -10.054 1.00 54.54 N ATOM 493 CA PHE A 33 0.098 -8.275 -10.565 1.00 53.13 C ATOM 494 C PHE A 33 0.159 -8.501 -12.072 1.00 13.33 C ATOM 495 O PHE A 33 -0.699 -9.164 -12.658 1.00 0.34 O ATOM 496 CB PHE A 33 1.076 -9.214 -9.870 1.00 40.21 C ATOM 497 CG PHE A 33 1.476 -8.765 -8.495 1.00 74.42 C ATOM 498 CD1 PHE A 33 0.640 -8.983 -7.408 1.00 52.22 C ATOM 499 CD2 PHE A 33 2.688 -8.126 -8.288 1.00 55.44 C ATOM 500 CE1 PHE A 33 1.005 -8.563 -6.141 1.00 41.24 C ATOM 501 CE2 PHE A 33 3.056 -7.704 -7.024 1.00 4.51 C ATOM 502 CZ PHE A 33 2.213 -7.918 -5.950 1.00 25.50 C ATOM 0 H PHE A 33 -1.495 -9.449 -9.876 1.00 54.54 H new ATOM 0 HA PHE A 33 0.378 -7.242 -10.357 1.00 53.13 H new ATOM 0 HB2 PHE A 33 0.627 -10.205 -9.802 1.00 40.21 H new ATOM 0 HB3 PHE A 33 1.971 -9.311 -10.485 1.00 40.21 H new ATOM 0 HD1 PHE A 33 -0.305 -9.486 -7.553 1.00 52.22 H new ATOM 0 HD2 PHE A 33 3.352 -7.956 -9.123 1.00 55.44 H new ATOM 0 HE1 PHE A 33 0.347 -8.739 -5.303 1.00 41.24 H new ATOM 0 HE2 PHE A 33 4.003 -7.207 -6.876 1.00 4.51 H new ATOM 0 HZ PHE A 33 2.497 -7.582 -4.964 1.00 25.50 H new ATOM 512 N PRO A 34 1.177 -7.923 -12.721 1.00 5.54 N ATOM 513 CA PRO A 34 2.194 -7.117 -12.042 1.00 14.44 C ATOM 514 C PRO A 34 1.641 -5.791 -11.529 1.00 54.33 C ATOM 515 O PRO A 34 0.480 -5.458 -11.767 1.00 1.32 O ATOM 516 CB PRO A 34 3.241 -6.877 -13.127 1.00 42.24 C ATOM 517 CG PRO A 34 2.490 -6.980 -14.411 1.00 33.10 C ATOM 518 CD PRO A 34 1.412 -8.001 -14.170 1.00 2.40 C ATOM 0 HA PRO A 34 2.586 -7.619 -11.158 1.00 14.44 H new ATOM 0 HB2 PRO A 34 3.706 -5.897 -13.018 1.00 42.24 H new ATOM 0 HB3 PRO A 34 4.040 -7.616 -13.076 1.00 42.24 H new ATOM 0 HG2 PRO A 34 2.062 -6.018 -14.693 1.00 33.10 H new ATOM 0 HG3 PRO A 34 3.146 -7.288 -15.225 1.00 33.10 H new ATOM 0 HD2 PRO A 34 0.509 -7.771 -14.735 1.00 2.40 H new ATOM 0 HD3 PRO A 34 1.731 -8.999 -14.471 1.00 2.40 H new ATOM 526 N LEU A 35 2.476 -5.043 -10.817 1.00 44.14 N ATOM 527 CA LEU A 35 2.074 -3.752 -10.271 1.00 1.01 C ATOM 528 C LEU A 35 2.514 -2.611 -11.181 1.00 53.51 C ATOM 529 O LEU A 35 3.037 -2.834 -12.270 1.00 74.42 O ATOM 530 CB LEU A 35 2.667 -3.561 -8.874 1.00 42.31 C ATOM 531 CG LEU A 35 2.182 -4.540 -7.805 1.00 1.54 C ATOM 532 CD1 LEU A 35 3.056 -4.445 -6.564 1.00 40.22 C ATOM 533 CD2 LEU A 35 0.726 -4.272 -7.453 1.00 2.12 C ATOM 0 H LEU A 35 3.437 -5.309 -10.604 1.00 44.14 H new ATOM 0 HA LEU A 35 0.986 -3.738 -10.205 1.00 1.01 H new ATOM 0 HB2 LEU A 35 3.752 -3.640 -8.947 1.00 42.31 H new ATOM 0 HB3 LEU A 35 2.443 -2.548 -8.540 1.00 42.31 H new ATOM 0 HG LEU A 35 2.257 -5.551 -8.205 1.00 1.54 H new ATOM 0 HD11 LEU A 35 2.698 -5.148 -5.812 1.00 40.22 H new ATOM 0 HD12 LEU A 35 4.086 -4.687 -6.825 1.00 40.22 H new ATOM 0 HD13 LEU A 35 3.011 -3.432 -6.164 1.00 40.22 H new ATOM 0 HD21 LEU A 35 0.400 -4.979 -6.691 1.00 2.12 H new ATOM 0 HD22 LEU A 35 0.625 -3.256 -7.072 1.00 2.12 H new ATOM 0 HD23 LEU A 35 0.109 -4.389 -8.344 1.00 2.12 H new ATOM 545 N LYS A 36 2.309 -1.380 -10.727 1.00 64.33 N ATOM 546 CA LYS A 36 2.689 -0.204 -11.500 1.00 72.11 C ATOM 547 C LYS A 36 3.962 0.424 -10.945 1.00 71.21 C ATOM 548 O LYS A 36 4.801 0.916 -11.700 1.00 3.15 O ATOM 549 CB LYS A 36 1.557 0.823 -11.489 1.00 53.32 C ATOM 550 CG LYS A 36 0.171 0.207 -11.426 1.00 73.41 C ATOM 551 CD LYS A 36 -0.919 1.267 -11.437 1.00 62.23 C ATOM 552 CE LYS A 36 -1.956 0.993 -12.512 1.00 23.31 C ATOM 553 NZ LYS A 36 -2.698 2.222 -12.900 1.00 14.23 N ATOM 0 H LYS A 36 1.881 -1.170 -9.825 1.00 64.33 H new ATOM 0 HA LYS A 36 2.878 -0.519 -12.526 1.00 72.11 H new ATOM 0 HB2 LYS A 36 1.689 1.486 -10.634 1.00 53.32 H new ATOM 0 HB3 LYS A 36 1.630 1.440 -12.385 1.00 53.32 H new ATOM 0 HG2 LYS A 36 0.033 -0.465 -12.273 1.00 73.41 H new ATOM 0 HG3 LYS A 36 0.082 -0.396 -10.523 1.00 73.41 H new ATOM 0 HD2 LYS A 36 -1.405 1.300 -10.462 1.00 62.23 H new ATOM 0 HD3 LYS A 36 -0.472 2.247 -11.603 1.00 62.23 H new ATOM 0 HE2 LYS A 36 -1.465 0.574 -13.390 1.00 23.31 H new ATOM 0 HE3 LYS A 36 -2.661 0.243 -12.153 1.00 23.31 H new ATOM 0 HZ1 LYS A 36 -3.395 1.989 -13.636 1.00 14.23 H new ATOM 0 HZ2 LYS A 36 -3.188 2.609 -12.068 1.00 14.23 H new ATOM 0 HZ3 LYS A 36 -2.030 2.929 -13.268 1.00 14.23 H new ATOM 567 N THR A 37 4.105 0.396 -9.624 1.00 11.43 N ATOM 568 CA THR A 37 5.276 0.963 -8.967 1.00 32.11 C ATOM 569 C THR A 37 6.163 -0.132 -8.388 1.00 0.13 C ATOM 570 O THR A 37 6.088 -0.473 -7.208 1.00 71.11 O ATOM 571 CB THR A 37 4.875 1.939 -7.848 1.00 4.22 C ATOM 572 OG1 THR A 37 6.000 2.236 -7.021 1.00 25.32 O ATOM 573 CG2 THR A 37 3.767 1.361 -6.986 1.00 2.23 C ATOM 0 H THR A 37 3.423 -0.014 -8.987 1.00 11.43 H new ATOM 0 HA THR A 37 5.834 1.510 -9.727 1.00 32.11 H new ATOM 0 HB THR A 37 4.514 2.852 -8.322 1.00 4.22 H new ATOM 0 HG1 THR A 37 5.695 2.669 -6.196 1.00 25.32 H new ATOM 0 HG21 THR A 37 3.505 2.074 -6.204 1.00 2.23 H new ATOM 0 HG22 THR A 37 2.891 1.162 -7.604 1.00 2.23 H new ATOM 0 HG23 THR A 37 4.108 0.431 -6.530 1.00 2.23 H new ATOM 581 N PRO A 38 7.029 -0.709 -9.231 1.00 53.53 N ATOM 582 CA PRO A 38 7.949 -1.771 -8.820 1.00 15.03 C ATOM 583 C PRO A 38 9.040 -1.267 -7.881 1.00 15.30 C ATOM 584 O PRO A 38 8.987 -0.134 -7.403 1.00 73.23 O ATOM 585 CB PRO A 38 8.555 -2.250 -10.138 1.00 73.34 C ATOM 586 CG PRO A 38 8.444 -1.077 -11.053 1.00 3.02 C ATOM 587 CD PRO A 38 7.185 -0.360 -10.650 1.00 32.20 C ATOM 0 HA PRO A 38 7.438 -2.556 -8.262 1.00 15.03 H new ATOM 0 HB2 PRO A 38 9.593 -2.555 -10.009 1.00 73.34 H new ATOM 0 HB3 PRO A 38 8.016 -3.112 -10.532 1.00 73.34 H new ATOM 0 HG2 PRO A 38 9.312 -0.425 -10.960 1.00 3.02 H new ATOM 0 HG3 PRO A 38 8.396 -1.396 -12.094 1.00 3.02 H new ATOM 0 HD2 PRO A 38 7.274 0.717 -10.791 1.00 32.20 H new ATOM 0 HD3 PRO A 38 6.330 -0.689 -11.240 1.00 32.20 H new ATOM 595 N ILE A 39 10.027 -2.116 -7.619 1.00 34.51 N ATOM 596 CA ILE A 39 11.132 -1.754 -6.742 1.00 33.14 C ATOM 597 C ILE A 39 12.078 -0.774 -7.425 1.00 12.24 C ATOM 598 O ILE A 39 12.116 -0.688 -8.652 1.00 41.34 O ATOM 599 CB ILE A 39 11.926 -2.995 -6.303 1.00 12.34 C ATOM 600 CG1 ILE A 39 10.981 -4.150 -5.965 1.00 74.24 C ATOM 601 CG2 ILE A 39 12.800 -2.661 -5.107 1.00 14.40 C ATOM 602 CD1 ILE A 39 9.943 -3.798 -4.923 1.00 22.21 C ATOM 0 H ILE A 39 10.084 -3.060 -8.002 1.00 34.51 H new ATOM 0 HA ILE A 39 10.697 -1.279 -5.863 1.00 33.14 H new ATOM 0 HB ILE A 39 12.565 -3.306 -7.130 1.00 12.34 H new ATOM 0 HG12 ILE A 39 10.475 -4.473 -6.875 1.00 74.24 H new ATOM 0 HG13 ILE A 39 11.568 -4.997 -5.609 1.00 74.24 H new ATOM 0 HG21 ILE A 39 13.358 -3.548 -4.805 1.00 14.40 H new ATOM 0 HG22 ILE A 39 13.498 -1.868 -5.376 1.00 14.40 H new ATOM 0 HG23 ILE A 39 12.173 -2.328 -4.280 1.00 14.40 H new ATOM 0 HD11 ILE A 39 9.309 -4.664 -4.734 1.00 22.21 H new ATOM 0 HD12 ILE A 39 10.440 -3.504 -3.999 1.00 22.21 H new ATOM 0 HD13 ILE A 39 9.330 -2.972 -5.284 1.00 22.21 H new ATOM 614 N THR A 40 12.848 -0.044 -6.622 1.00 21.40 N ATOM 615 CA THR A 40 13.795 0.932 -7.146 1.00 60.42 C ATOM 616 C THR A 40 14.873 1.254 -6.120 1.00 44.41 C ATOM 617 O THR A 40 14.743 2.205 -5.348 1.00 40.13 O ATOM 618 CB THR A 40 13.088 2.240 -7.557 1.00 15.42 C ATOM 619 OG1 THR A 40 11.788 1.937 -8.048 1.00 11.11 O ATOM 620 CG2 THR A 40 13.888 2.966 -8.619 1.00 72.42 C ATOM 0 H THR A 40 12.833 -0.111 -5.604 1.00 21.40 H new ATOM 0 HA THR A 40 14.255 0.484 -8.027 1.00 60.42 H new ATOM 0 HB THR A 40 13.007 2.890 -6.686 1.00 15.42 H new ATOM 0 HG1 THR A 40 11.335 2.766 -8.309 1.00 11.11 H new ATOM 0 HG21 THR A 40 13.374 3.886 -8.896 1.00 72.42 H new ATOM 0 HG22 THR A 40 14.877 3.206 -8.229 1.00 72.42 H new ATOM 0 HG23 THR A 40 13.990 2.328 -9.497 1.00 72.42 H new ATOM 628 N LEU A 41 15.935 0.456 -6.113 1.00 12.04 N ATOM 629 CA LEU A 41 17.040 0.658 -5.183 1.00 2.40 C ATOM 630 C LEU A 41 18.302 1.092 -5.923 1.00 60.31 C ATOM 631 O LEU A 41 18.508 0.736 -7.085 1.00 0.22 O ATOM 632 CB LEU A 41 17.310 -0.623 -4.392 1.00 71.13 C ATOM 633 CG LEU A 41 17.067 -1.935 -5.139 1.00 40.23 C ATOM 634 CD1 LEU A 41 17.948 -2.018 -6.375 1.00 61.54 C ATOM 635 CD2 LEU A 41 17.316 -3.124 -4.224 1.00 3.11 C ATOM 0 H LEU A 41 16.054 -0.338 -6.742 1.00 12.04 H new ATOM 0 HA LEU A 41 16.758 1.450 -4.489 1.00 2.40 H new ATOM 0 HB2 LEU A 41 18.346 -0.607 -4.054 1.00 71.13 H new ATOM 0 HB3 LEU A 41 16.684 -0.614 -3.500 1.00 71.13 H new ATOM 0 HG LEU A 41 16.025 -1.960 -5.459 1.00 40.23 H new ATOM 0 HD11 LEU A 41 17.761 -2.959 -6.893 1.00 61.54 H new ATOM 0 HD12 LEU A 41 17.720 -1.186 -7.041 1.00 61.54 H new ATOM 0 HD13 LEU A 41 18.996 -1.969 -6.079 1.00 61.54 H new ATOM 0 HD21 LEU A 41 17.138 -4.049 -4.773 1.00 3.11 H new ATOM 0 HD22 LEU A 41 18.348 -3.103 -3.873 1.00 3.11 H new ATOM 0 HD23 LEU A 41 16.641 -3.073 -3.370 1.00 3.11 H new ATOM 647 N LEU A 42 19.148 1.857 -5.242 1.00 14.31 N ATOM 648 CA LEU A 42 20.392 2.337 -5.832 1.00 1.13 C ATOM 649 C LEU A 42 21.368 1.187 -6.051 1.00 31.54 C ATOM 650 O LEU A 42 21.627 0.400 -5.141 1.00 1.03 O ATOM 651 CB LEU A 42 21.030 3.398 -4.933 1.00 34.14 C ATOM 652 CG LEU A 42 21.326 4.744 -5.596 1.00 62.52 C ATOM 653 CD1 LEU A 42 20.058 5.342 -6.183 1.00 11.43 C ATOM 654 CD2 LEU A 42 21.952 5.702 -4.594 1.00 32.32 C ATOM 0 H LEU A 42 18.995 2.158 -4.280 1.00 14.31 H new ATOM 0 HA LEU A 42 20.159 2.782 -6.799 1.00 1.13 H new ATOM 0 HB2 LEU A 42 20.370 3.571 -4.083 1.00 34.14 H new ATOM 0 HB3 LEU A 42 21.963 2.997 -4.536 1.00 34.14 H new ATOM 0 HG LEU A 42 22.035 4.579 -6.408 1.00 62.52 H new ATOM 0 HD11 LEU A 42 20.290 6.299 -6.650 1.00 11.43 H new ATOM 0 HD12 LEU A 42 19.648 4.663 -6.931 1.00 11.43 H new ATOM 0 HD13 LEU A 42 19.326 5.493 -5.390 1.00 11.43 H new ATOM 0 HD21 LEU A 42 22.157 6.655 -5.081 1.00 32.32 H new ATOM 0 HD22 LEU A 42 21.265 5.859 -3.763 1.00 32.32 H new ATOM 0 HD23 LEU A 42 22.884 5.279 -4.219 1.00 32.32 H new ATOM 666 N ALA A 43 21.909 1.097 -7.261 1.00 72.53 N ATOM 667 CA ALA A 43 22.861 0.047 -7.598 1.00 73.23 C ATOM 668 C ALA A 43 24.201 0.279 -6.908 1.00 35.30 C ATOM 669 O ALA A 43 24.322 1.143 -6.040 1.00 40.45 O ATOM 670 CB ALA A 43 23.047 -0.034 -9.106 1.00 61.23 C ATOM 0 H ALA A 43 21.704 1.740 -8.026 1.00 72.53 H new ATOM 0 HA ALA A 43 22.459 -0.902 -7.242 1.00 73.23 H new ATOM 0 HB1 ALA A 43 23.761 -0.823 -9.343 1.00 61.23 H new ATOM 0 HB2 ALA A 43 22.091 -0.256 -9.579 1.00 61.23 H new ATOM 0 HB3 ALA A 43 23.423 0.919 -9.478 1.00 61.23 H new ATOM 676 N ASP A 44 25.204 -0.498 -7.302 1.00 53.41 N ATOM 677 CA ASP A 44 26.537 -0.376 -6.725 1.00 0.13 C ATOM 678 C ASP A 44 27.215 0.910 -7.189 1.00 24.30 C ATOM 679 O ASP A 44 28.099 1.436 -6.514 1.00 4.04 O ATOM 680 CB ASP A 44 27.391 -1.585 -7.107 1.00 23.54 C ATOM 681 CG ASP A 44 27.336 -2.686 -6.064 1.00 63.32 C ATOM 682 OD1 ASP A 44 27.764 -2.438 -4.918 1.00 12.34 O ATOM 683 OD2 ASP A 44 26.858 -3.791 -6.398 1.00 60.13 O ATOM 0 H ASP A 44 25.119 -1.219 -8.019 1.00 53.41 H new ATOM 0 HA ASP A 44 26.436 -0.340 -5.640 1.00 0.13 H new ATOM 0 HB2 ASP A 44 27.051 -1.979 -8.065 1.00 23.54 H new ATOM 0 HB3 ASP A 44 28.425 -1.268 -7.242 1.00 23.54 H new ATOM 688 N ASP A 45 26.794 1.413 -8.344 1.00 2.53 N ATOM 689 CA ASP A 45 27.363 2.636 -8.899 1.00 55.01 C ATOM 690 C ASP A 45 27.049 3.832 -8.008 1.00 3.30 C ATOM 691 O ASP A 45 27.942 4.589 -7.631 1.00 34.22 O ATOM 692 CB ASP A 45 26.820 2.881 -10.308 1.00 5.53 C ATOM 693 CG ASP A 45 27.918 2.906 -11.352 1.00 51.03 C ATOM 694 OD1 ASP A 45 28.920 3.621 -11.145 1.00 2.14 O ATOM 695 OD2 ASP A 45 27.774 2.205 -12.375 1.00 52.14 O ATOM 0 H ASP A 45 26.060 0.993 -8.915 1.00 2.53 H new ATOM 0 HA ASP A 45 28.445 2.515 -8.949 1.00 55.01 H new ATOM 0 HB2 ASP A 45 26.101 2.101 -10.559 1.00 5.53 H new ATOM 0 HB3 ASP A 45 26.282 3.829 -10.328 1.00 5.53 H new ATOM 700 N GLY A 46 25.774 3.995 -7.667 1.00 1.02 N ATOM 701 CA GLY A 46 25.363 5.101 -6.822 1.00 5.21 C ATOM 702 C GLY A 46 24.305 5.969 -7.471 1.00 32.20 C ATOM 703 O GLY A 46 23.574 6.683 -6.788 1.00 14.03 O ATOM 0 H GLY A 46 25.017 3.379 -7.962 1.00 1.02 H new ATOM 0 HA2 GLY A 46 24.979 4.710 -5.880 1.00 5.21 H new ATOM 0 HA3 GLY A 46 26.233 5.713 -6.582 1.00 5.21 H new ATOM 707 N GLU A 47 24.215 5.900 -8.794 1.00 52.15 N ATOM 708 CA GLU A 47 23.240 6.688 -9.538 1.00 34.50 C ATOM 709 C GLU A 47 22.509 5.822 -10.559 1.00 52.24 C ATOM 710 O GLU A 47 21.979 6.325 -11.550 1.00 43.34 O ATOM 711 CB GLU A 47 23.923 7.862 -10.240 1.00 40.51 C ATOM 712 CG GLU A 47 25.244 7.497 -10.896 1.00 11.05 C ATOM 713 CD GLU A 47 25.923 8.689 -11.544 1.00 51.45 C ATOM 714 OE1 GLU A 47 25.216 9.502 -12.179 1.00 3.14 O ATOM 715 OE2 GLU A 47 27.160 8.809 -11.420 1.00 13.22 O ATOM 0 H GLU A 47 24.807 5.305 -9.374 1.00 52.15 H new ATOM 0 HA GLU A 47 22.510 7.078 -8.829 1.00 34.50 H new ATOM 0 HB2 GLU A 47 23.250 8.262 -10.998 1.00 40.51 H new ATOM 0 HB3 GLU A 47 24.095 8.657 -9.515 1.00 40.51 H new ATOM 0 HG2 GLU A 47 25.910 7.067 -10.148 1.00 11.05 H new ATOM 0 HG3 GLU A 47 25.071 6.728 -11.649 1.00 11.05 H new ATOM 722 N THR A 48 22.481 4.516 -10.311 1.00 12.34 N ATOM 723 CA THR A 48 21.818 3.580 -11.208 1.00 40.23 C ATOM 724 C THR A 48 20.610 2.939 -10.537 1.00 61.13 C ATOM 725 O THR A 48 20.755 2.049 -9.700 1.00 12.24 O ATOM 726 CB THR A 48 22.781 2.476 -11.676 1.00 42.34 C ATOM 727 OG1 THR A 48 23.875 3.055 -12.391 1.00 44.03 O ATOM 728 CG2 THR A 48 22.059 1.474 -12.565 1.00 40.04 C ATOM 0 H THR A 48 22.911 4.083 -9.494 1.00 12.34 H new ATOM 0 HA THR A 48 21.486 4.151 -12.075 1.00 40.23 H new ATOM 0 HB THR A 48 23.159 1.953 -10.797 1.00 42.34 H new ATOM 0 HG1 THR A 48 24.485 2.347 -12.685 1.00 44.03 H new ATOM 0 HG21 THR A 48 22.758 0.702 -12.885 1.00 40.04 H new ATOM 0 HG22 THR A 48 21.242 1.016 -12.008 1.00 40.04 H new ATOM 0 HG23 THR A 48 21.659 1.986 -13.440 1.00 40.04 H new ATOM 736 N GLU A 49 19.419 3.393 -10.911 1.00 13.32 N ATOM 737 CA GLU A 49 18.186 2.861 -10.344 1.00 12.52 C ATOM 738 C GLU A 49 17.839 1.513 -10.968 1.00 12.30 C ATOM 739 O GLU A 49 17.375 1.444 -12.107 1.00 24.13 O ATOM 740 CB GLU A 49 17.035 3.845 -10.557 1.00 41.55 C ATOM 741 CG GLU A 49 17.201 5.150 -9.796 1.00 62.12 C ATOM 742 CD GLU A 49 16.810 6.362 -10.621 1.00 73.55 C ATOM 743 OE1 GLU A 49 15.990 6.209 -11.551 1.00 33.42 O ATOM 744 OE2 GLU A 49 17.325 7.463 -10.340 1.00 0.04 O ATOM 0 H GLU A 49 19.281 4.128 -11.604 1.00 13.32 H new ATOM 0 HA GLU A 49 18.339 2.719 -9.274 1.00 12.52 H new ATOM 0 HB2 GLU A 49 16.947 4.063 -11.621 1.00 41.55 H new ATOM 0 HB3 GLU A 49 16.102 3.372 -10.251 1.00 41.55 H new ATOM 0 HG2 GLU A 49 16.592 5.119 -8.892 1.00 62.12 H new ATOM 0 HG3 GLU A 49 18.239 5.251 -9.478 1.00 62.12 H new ATOM 751 N LYS A 50 18.065 0.442 -10.215 1.00 1.34 N ATOM 752 CA LYS A 50 17.776 -0.905 -10.690 1.00 52.43 C ATOM 753 C LYS A 50 16.443 -1.398 -10.142 1.00 13.44 C ATOM 754 O LYS A 50 16.155 -1.233 -8.955 1.00 31.43 O ATOM 755 CB LYS A 50 18.895 -1.863 -10.282 1.00 65.41 C ATOM 756 CG LYS A 50 20.177 -1.669 -11.075 1.00 63.52 C ATOM 757 CD LYS A 50 20.816 -3.000 -11.437 1.00 44.34 C ATOM 758 CE LYS A 50 21.951 -3.356 -10.490 1.00 2.43 C ATOM 759 NZ LYS A 50 23.250 -3.484 -11.203 1.00 23.25 N ATOM 0 H LYS A 50 18.449 0.482 -9.271 1.00 1.34 H new ATOM 0 HA LYS A 50 17.713 -0.875 -11.778 1.00 52.43 H new ATOM 0 HB2 LYS A 50 19.109 -1.729 -9.222 1.00 65.41 H new ATOM 0 HB3 LYS A 50 18.549 -2.889 -10.410 1.00 65.41 H new ATOM 0 HG2 LYS A 50 19.962 -1.108 -11.985 1.00 63.52 H new ATOM 0 HG3 LYS A 50 20.880 -1.074 -10.492 1.00 63.52 H new ATOM 0 HD2 LYS A 50 20.061 -3.785 -11.411 1.00 44.34 H new ATOM 0 HD3 LYS A 50 21.195 -2.956 -12.458 1.00 44.34 H new ATOM 0 HE2 LYS A 50 22.034 -2.590 -9.719 1.00 2.43 H new ATOM 0 HE3 LYS A 50 21.721 -4.294 -9.984 1.00 2.43 H new ATOM 0 HZ1 LYS A 50 23.997 -3.727 -10.522 1.00 23.25 H new ATOM 0 HZ2 LYS A 50 23.179 -4.232 -11.922 1.00 23.25 H new ATOM 0 HZ3 LYS A 50 23.483 -2.582 -11.665 1.00 23.25 H new ATOM 773 N THR A 51 15.635 -2.005 -11.005 1.00 31.42 N ATOM 774 CA THR A 51 14.334 -2.528 -10.608 1.00 3.14 C ATOM 775 C THR A 51 14.444 -3.974 -10.139 1.00 54.51 C ATOM 776 O THR A 51 15.337 -4.708 -10.560 1.00 44.14 O ATOM 777 CB THR A 51 13.321 -2.450 -11.764 1.00 53.14 C ATOM 778 OG1 THR A 51 13.978 -2.688 -13.012 1.00 22.11 O ATOM 779 CG2 THR A 51 12.637 -1.092 -11.796 1.00 4.34 C ATOM 0 H THR A 51 15.861 -2.147 -11.989 1.00 31.42 H new ATOM 0 HA THR A 51 13.981 -1.908 -9.784 1.00 3.14 H new ATOM 0 HB THR A 51 12.563 -3.217 -11.602 1.00 53.14 H new ATOM 0 HG1 THR A 51 13.324 -2.638 -13.741 1.00 22.11 H new ATOM 0 HG21 THR A 51 11.926 -1.062 -12.622 1.00 4.34 H new ATOM 0 HG22 THR A 51 12.109 -0.928 -10.856 1.00 4.34 H new ATOM 0 HG23 THR A 51 13.385 -0.311 -11.933 1.00 4.34 H new ATOM 787 N PHE A 52 13.523 -4.380 -9.271 1.00 20.11 N ATOM 788 CA PHE A 52 13.514 -5.738 -8.742 1.00 63.44 C ATOM 789 C PHE A 52 12.123 -6.355 -8.850 1.00 11.13 C ATOM 790 O PHE A 52 11.126 -5.664 -9.062 1.00 11.15 O ATOM 791 CB PHE A 52 13.979 -5.746 -7.284 1.00 53.21 C ATOM 792 CG PHE A 52 15.428 -6.105 -7.117 1.00 74.11 C ATOM 793 CD1 PHE A 52 16.416 -5.355 -7.735 1.00 43.01 C ATOM 794 CD2 PHE A 52 15.801 -7.193 -6.342 1.00 44.04 C ATOM 795 CE1 PHE A 52 17.751 -5.683 -7.584 1.00 43.32 C ATOM 796 CE2 PHE A 52 17.137 -7.524 -6.186 1.00 41.01 C ATOM 797 CZ PHE A 52 18.113 -6.768 -6.808 1.00 15.20 C ATOM 0 H PHE A 52 12.772 -3.786 -8.919 1.00 20.11 H new ATOM 0 HA PHE A 52 14.204 -6.337 -9.337 1.00 63.44 H new ATOM 0 HB2 PHE A 52 13.805 -4.761 -6.850 1.00 53.21 H new ATOM 0 HB3 PHE A 52 13.371 -6.454 -6.721 1.00 53.21 H new ATOM 0 HD1 PHE A 52 16.140 -4.505 -8.341 1.00 43.01 H new ATOM 0 HD2 PHE A 52 15.042 -7.788 -5.855 1.00 44.04 H new ATOM 0 HE1 PHE A 52 18.511 -5.091 -8.073 1.00 43.32 H new ATOM 0 HE2 PHE A 52 17.416 -8.372 -5.579 1.00 41.01 H new ATOM 0 HZ PHE A 52 19.155 -7.024 -6.688 1.00 15.20 H new ATOM 807 N PRO A 53 12.052 -7.686 -8.699 1.00 40.24 N ATOM 808 CA PRO A 53 10.790 -8.426 -8.774 1.00 40.45 C ATOM 809 C PRO A 53 9.884 -8.144 -7.581 1.00 13.10 C ATOM 810 O PRO A 53 10.249 -8.412 -6.436 1.00 12.25 O ATOM 811 CB PRO A 53 11.232 -9.890 -8.776 1.00 3.22 C ATOM 812 CG PRO A 53 12.557 -9.885 -8.089 1.00 43.31 C ATOM 813 CD PRO A 53 13.199 -8.572 -8.445 1.00 51.55 C ATOM 0 HA PRO A 53 10.205 -8.145 -9.650 1.00 40.45 H new ATOM 0 HB2 PRO A 53 10.515 -10.521 -8.250 1.00 3.22 H new ATOM 0 HB3 PRO A 53 11.314 -10.278 -9.791 1.00 3.22 H new ATOM 0 HG2 PRO A 53 12.438 -9.982 -7.010 1.00 43.31 H new ATOM 0 HG3 PRO A 53 13.171 -10.723 -8.419 1.00 43.31 H new ATOM 0 HD2 PRO A 53 13.823 -8.198 -7.634 1.00 51.55 H new ATOM 0 HD3 PRO A 53 13.838 -8.663 -9.323 1.00 51.55 H new ATOM 821 N PHE A 54 8.701 -7.604 -7.856 1.00 1.13 N ATOM 822 CA PHE A 54 7.740 -7.287 -6.806 1.00 62.12 C ATOM 823 C PHE A 54 6.993 -8.540 -6.356 1.00 40.31 C ATOM 824 O PHE A 54 5.770 -8.624 -6.474 1.00 21.33 O ATOM 825 CB PHE A 54 6.747 -6.232 -7.298 1.00 63.43 C ATOM 826 CG PHE A 54 6.463 -6.309 -8.771 1.00 23.40 C ATOM 827 CD1 PHE A 54 5.871 -7.438 -9.316 1.00 51.52 C ATOM 828 CD2 PHE A 54 6.792 -5.257 -9.611 1.00 11.02 C ATOM 829 CE1 PHE A 54 5.613 -7.516 -10.672 1.00 42.54 C ATOM 830 CE2 PHE A 54 6.543 -5.332 -10.975 1.00 55.02 C ATOM 831 CZ PHE A 54 5.949 -6.460 -11.502 1.00 20.50 C ATOM 0 H PHE A 54 8.385 -7.377 -8.799 1.00 1.13 H new ATOM 0 HA PHE A 54 8.288 -6.888 -5.952 1.00 62.12 H new ATOM 0 HB2 PHE A 54 5.811 -6.344 -6.750 1.00 63.43 H new ATOM 0 HB3 PHE A 54 7.137 -5.242 -7.064 1.00 63.43 H new ATOM 0 HD1 PHE A 54 5.608 -8.266 -8.674 1.00 51.52 H new ATOM 0 HD2 PHE A 54 7.247 -4.368 -9.200 1.00 11.02 H new ATOM 0 HE1 PHE A 54 5.150 -8.400 -11.084 1.00 42.54 H new ATOM 0 HE2 PHE A 54 6.813 -4.510 -11.621 1.00 55.02 H new ATOM 0 HZ PHE A 54 5.746 -6.519 -12.561 1.00 20.50 H new ATOM 841 N THR A 55 7.736 -9.517 -5.848 1.00 33.41 N ATOM 842 CA THR A 55 7.144 -10.765 -5.383 1.00 0.41 C ATOM 843 C THR A 55 6.529 -10.597 -3.999 1.00 21.42 C ATOM 844 O THR A 55 6.794 -9.616 -3.304 1.00 41.23 O ATOM 845 CB THR A 55 8.188 -11.896 -5.338 1.00 15.50 C ATOM 846 OG1 THR A 55 9.385 -11.439 -4.702 1.00 52.11 O ATOM 847 CG2 THR A 55 8.511 -12.385 -6.740 1.00 24.22 C ATOM 0 H THR A 55 8.750 -9.468 -5.748 1.00 33.41 H new ATOM 0 HA THR A 55 6.362 -11.032 -6.094 1.00 0.41 H new ATOM 0 HB THR A 55 7.769 -12.723 -4.765 1.00 15.50 H new ATOM 0 HG1 THR A 55 10.041 -12.167 -4.678 1.00 52.11 H new ATOM 0 HG21 THR A 55 9.251 -13.184 -6.685 1.00 24.22 H new ATOM 0 HG22 THR A 55 7.604 -12.762 -7.212 1.00 24.22 H new ATOM 0 HG23 THR A 55 8.911 -11.560 -7.330 1.00 24.22 H new ATOM 855 N LYS A 56 5.719 -11.571 -3.596 1.00 13.12 N ATOM 856 CA LYS A 56 5.072 -11.538 -2.291 1.00 14.31 C ATOM 857 C LYS A 56 6.094 -11.325 -1.180 1.00 34.34 C ATOM 858 O LYS A 56 5.774 -10.769 -0.130 1.00 63.14 O ATOM 859 CB LYS A 56 4.300 -12.835 -2.051 1.00 72.52 C ATOM 860 CG LYS A 56 5.197 -14.008 -1.682 1.00 73.24 C ATOM 861 CD LYS A 56 4.393 -15.268 -1.549 1.00 61.34 C ATOM 862 CE LYS A 56 3.320 -15.188 -0.473 1.00 63.54 C ATOM 863 NZ LYS A 56 2.878 -16.532 -0.004 1.00 23.35 N ATOM 0 H LYS A 56 5.495 -12.394 -4.156 1.00 13.12 H new ATOM 0 HA LYS A 56 4.374 -10.701 -2.280 1.00 14.31 H new ATOM 0 HB2 LYS A 56 3.575 -12.676 -1.253 1.00 72.52 H new ATOM 0 HB3 LYS A 56 3.736 -13.086 -2.949 1.00 72.52 H new ATOM 0 HG2 LYS A 56 5.965 -14.139 -2.444 1.00 73.24 H new ATOM 0 HG3 LYS A 56 5.712 -13.798 -0.744 1.00 73.24 H new ATOM 0 HD2 LYS A 56 3.922 -15.493 -2.506 1.00 61.34 H new ATOM 0 HD3 LYS A 56 5.064 -16.096 -1.322 1.00 61.34 H new ATOM 0 HE2 LYS A 56 3.702 -14.619 0.375 1.00 63.54 H new ATOM 0 HE3 LYS A 56 2.460 -14.642 -0.862 1.00 63.54 H new ATOM 0 HZ1 LYS A 56 2.147 -16.421 0.728 1.00 23.35 H new ATOM 0 HZ2 LYS A 56 2.487 -17.068 -0.805 1.00 23.35 H new ATOM 0 HZ3 LYS A 56 3.690 -17.046 0.393 1.00 23.35 H new ATOM 877 N GLU A 57 7.322 -11.774 -1.417 1.00 71.45 N ATOM 878 CA GLU A 57 8.390 -11.635 -0.437 1.00 64.11 C ATOM 879 C GLU A 57 8.508 -10.190 0.035 1.00 4.32 C ATOM 880 O GLU A 57 8.715 -9.928 1.221 1.00 53.24 O ATOM 881 CB GLU A 57 9.722 -12.097 -1.033 1.00 34.41 C ATOM 882 CG GLU A 57 10.422 -13.157 -0.199 1.00 13.03 C ATOM 883 CD GLU A 57 9.777 -14.523 -0.330 1.00 63.11 C ATOM 884 OE1 GLU A 57 8.568 -14.585 -0.635 1.00 51.42 O ATOM 885 OE2 GLU A 57 10.481 -15.535 -0.122 1.00 54.44 O ATOM 0 H GLU A 57 7.601 -12.238 -2.281 1.00 71.45 H new ATOM 0 HA GLU A 57 8.146 -12.262 0.421 1.00 64.11 H new ATOM 0 HB2 GLU A 57 9.546 -12.491 -2.034 1.00 34.41 H new ATOM 0 HB3 GLU A 57 10.382 -11.236 -1.140 1.00 34.41 H new ATOM 0 HG2 GLU A 57 11.467 -13.222 -0.503 1.00 13.03 H new ATOM 0 HG3 GLU A 57 10.413 -12.854 0.848 1.00 13.03 H new ATOM 892 N LYS A 58 8.377 -9.254 -0.900 1.00 1.33 N ATOM 893 CA LYS A 58 8.464 -7.834 -0.585 1.00 13.34 C ATOM 894 C LYS A 58 7.077 -7.244 -0.347 1.00 40.53 C ATOM 895 O LYS A 58 6.745 -6.186 -0.881 1.00 33.34 O ATOM 896 CB LYS A 58 9.167 -7.080 -1.715 1.00 60.43 C ATOM 897 CG LYS A 58 10.652 -7.388 -1.817 1.00 52.55 C ATOM 898 CD LYS A 58 10.947 -8.323 -2.978 1.00 62.24 C ATOM 899 CE LYS A 58 12.424 -8.684 -3.040 1.00 32.34 C ATOM 900 NZ LYS A 58 12.793 -9.283 -4.351 1.00 2.02 N ATOM 0 H LYS A 58 8.210 -9.456 -1.886 1.00 1.33 H new ATOM 0 HA LYS A 58 9.047 -7.725 0.330 1.00 13.34 H new ATOM 0 HB2 LYS A 58 8.687 -7.329 -2.661 1.00 60.43 H new ATOM 0 HB3 LYS A 58 9.036 -6.009 -1.563 1.00 60.43 H new ATOM 0 HG2 LYS A 58 11.209 -6.460 -1.945 1.00 52.55 H new ATOM 0 HG3 LYS A 58 10.996 -7.841 -0.887 1.00 52.55 H new ATOM 0 HD2 LYS A 58 10.353 -9.231 -2.875 1.00 62.24 H new ATOM 0 HD3 LYS A 58 10.647 -7.850 -3.913 1.00 62.24 H new ATOM 0 HE2 LYS A 58 13.024 -7.790 -2.867 1.00 32.34 H new ATOM 0 HE3 LYS A 58 12.660 -9.386 -2.240 1.00 32.34 H new ATOM 0 HZ1 LYS A 58 13.807 -9.515 -4.354 1.00 2.02 H new ATOM 0 HZ2 LYS A 58 12.239 -10.150 -4.505 1.00 2.02 H new ATOM 0 HZ3 LYS A 58 12.591 -8.604 -5.112 1.00 2.02 H new ATOM 914 N TRP A 59 6.274 -7.932 0.457 1.00 2.14 N ATOM 915 CA TRP A 59 4.928 -7.465 0.772 1.00 33.11 C ATOM 916 C TRP A 59 4.706 -7.407 2.280 1.00 52.12 C ATOM 917 O TRP A 59 4.139 -8.319 2.882 1.00 20.31 O ATOM 918 CB TRP A 59 3.893 -8.382 0.126 1.00 41.14 C ATOM 919 CG TRP A 59 2.482 -7.928 0.330 1.00 0.32 C ATOM 920 CD1 TRP A 59 1.669 -8.242 1.378 1.00 0.43 C ATOM 921 CD2 TRP A 59 1.717 -7.083 -0.540 1.00 22.43 C ATOM 922 NE1 TRP A 59 0.440 -7.644 1.210 1.00 73.13 N ATOM 923 CE2 TRP A 59 0.444 -6.924 0.044 1.00 20.40 C ATOM 924 CE3 TRP A 59 1.983 -6.448 -1.757 1.00 31.14 C ATOM 925 CZ2 TRP A 59 -0.554 -6.152 -0.545 1.00 61.31 C ATOM 926 CZ3 TRP A 59 0.991 -5.682 -2.342 1.00 75.43 C ATOM 927 CH2 TRP A 59 -0.264 -5.536 -1.736 1.00 32.33 C ATOM 0 H TRP A 59 6.530 -8.813 0.902 1.00 2.14 H new ATOM 0 HA TRP A 59 4.815 -6.457 0.373 1.00 33.11 H new ATOM 0 HB2 TRP A 59 4.094 -8.447 -0.943 1.00 41.14 H new ATOM 0 HB3 TRP A 59 4.005 -9.387 0.533 1.00 41.14 H new ATOM 0 HD1 TRP A 59 1.947 -8.866 2.214 1.00 0.43 H new ATOM 0 HE1 TRP A 59 -0.349 -7.724 1.852 1.00 73.13 H new ATOM 0 HE3 TRP A 59 2.947 -6.554 -2.232 1.00 31.14 H new ATOM 0 HZ2 TRP A 59 -1.523 -6.042 -0.080 1.00 61.31 H new ATOM 0 HZ3 TRP A 59 1.187 -5.188 -3.282 1.00 75.43 H new ATOM 0 HH2 TRP A 59 -1.017 -4.927 -2.215 1.00 32.33 H new ATOM 938 N PRO A 60 5.163 -6.314 2.906 1.00 4.15 N ATOM 939 CA PRO A 60 5.024 -6.111 4.351 1.00 74.41 C ATOM 940 C PRO A 60 3.578 -5.860 4.763 1.00 15.15 C ATOM 941 O PRO A 60 2.985 -4.847 4.390 1.00 40.01 O ATOM 942 CB PRO A 60 5.879 -4.873 4.624 1.00 73.11 C ATOM 943 CG PRO A 60 5.904 -4.139 3.326 1.00 55.22 C ATOM 944 CD PRO A 60 5.853 -5.191 2.253 1.00 24.44 C ATOM 0 HA PRO A 60 5.334 -6.990 4.916 1.00 74.41 H new ATOM 0 HB2 PRO A 60 5.449 -4.261 5.417 1.00 73.11 H new ATOM 0 HB3 PRO A 60 6.884 -5.148 4.943 1.00 73.11 H new ATOM 0 HG2 PRO A 60 5.056 -3.459 3.246 1.00 55.22 H new ATOM 0 HG3 PRO A 60 6.807 -3.535 3.237 1.00 55.22 H new ATOM 0 HD2 PRO A 60 5.310 -4.842 1.375 1.00 24.44 H new ATOM 0 HD3 PRO A 60 6.852 -5.473 1.919 1.00 24.44 H new ATOM 952 N LEU A 61 3.013 -6.788 5.528 1.00 73.24 N ATOM 953 CA LEU A 61 1.636 -6.667 5.994 1.00 3.30 C ATOM 954 C LEU A 61 1.390 -5.297 6.617 1.00 34.42 C ATOM 955 O LEU A 61 2.169 -4.836 7.450 1.00 42.04 O ATOM 956 CB LEU A 61 1.323 -7.765 7.011 1.00 62.13 C ATOM 957 CG LEU A 61 0.553 -8.969 6.466 1.00 53.54 C ATOM 958 CD1 LEU A 61 1.225 -9.535 5.232 1.00 44.32 C ATOM 959 CD2 LEU A 61 0.427 -10.042 7.545 1.00 13.23 C ATOM 0 H LEU A 61 3.489 -7.635 5.839 1.00 73.24 H new ATOM 0 HA LEU A 61 0.976 -6.778 5.133 1.00 3.30 H new ATOM 0 HB2 LEU A 61 2.262 -8.119 7.437 1.00 62.13 H new ATOM 0 HB3 LEU A 61 0.748 -7.327 7.827 1.00 62.13 H new ATOM 0 HG LEU A 61 -0.444 -8.635 6.179 1.00 53.54 H new ATOM 0 HD11 LEU A 61 0.655 -10.390 4.867 1.00 44.32 H new ATOM 0 HD12 LEU A 61 1.267 -8.769 4.457 1.00 44.32 H new ATOM 0 HD13 LEU A 61 2.237 -9.854 5.483 1.00 44.32 H new ATOM 0 HD21 LEU A 61 -0.123 -10.895 7.147 1.00 13.23 H new ATOM 0 HD22 LEU A 61 1.421 -10.364 7.856 1.00 13.23 H new ATOM 0 HD23 LEU A 61 -0.107 -9.634 8.403 1.00 13.23 H new ATOM 971 N LEU A 62 0.303 -4.653 6.206 1.00 2.11 N ATOM 972 CA LEU A 62 -0.048 -3.335 6.723 1.00 25.10 C ATOM 973 C LEU A 62 -0.987 -3.453 7.918 1.00 61.23 C ATOM 974 O LEU A 62 -1.289 -4.555 8.374 1.00 32.43 O ATOM 975 CB LEU A 62 -0.701 -2.492 5.627 1.00 54.25 C ATOM 976 CG LEU A 62 0.159 -2.216 4.394 1.00 23.30 C ATOM 977 CD1 LEU A 62 1.572 -1.836 4.801 1.00 44.44 C ATOM 978 CD2 LEU A 62 0.173 -3.424 3.471 1.00 64.34 C ATOM 0 H LEU A 62 -0.351 -5.023 5.516 1.00 2.11 H new ATOM 0 HA LEU A 62 0.868 -2.844 7.051 1.00 25.10 H new ATOM 0 HB2 LEU A 62 -1.613 -2.994 5.305 1.00 54.25 H new ATOM 0 HB3 LEU A 62 -0.999 -1.537 6.059 1.00 54.25 H new ATOM 0 HG LEU A 62 -0.277 -1.377 3.853 1.00 23.30 H new ATOM 0 HD11 LEU A 62 2.168 -1.644 3.909 1.00 44.44 H new ATOM 0 HD12 LEU A 62 1.544 -0.939 5.419 1.00 44.44 H new ATOM 0 HD13 LEU A 62 2.020 -2.653 5.367 1.00 44.44 H new ATOM 0 HD21 LEU A 62 0.790 -3.208 2.599 1.00 64.34 H new ATOM 0 HD22 LEU A 62 0.583 -4.283 4.002 1.00 64.34 H new ATOM 0 HD23 LEU A 62 -0.844 -3.648 3.149 1.00 64.34 H new ATOM 990 N ASP A 63 -1.462 -2.312 8.406 1.00 11.22 N ATOM 991 CA ASP A 63 -2.369 -2.285 9.548 1.00 62.24 C ATOM 992 C ASP A 63 -3.461 -1.236 9.353 1.00 22.24 C ATOM 993 O ASP A 63 -3.523 -0.557 8.326 1.00 40.31 O ATOM 994 CB ASP A 63 -1.596 -1.999 10.836 1.00 24.14 C ATOM 995 CG ASP A 63 -0.817 -3.204 11.327 1.00 5.22 C ATOM 996 OD1 ASP A 63 -0.025 -3.761 10.539 1.00 40.21 O ATOM 997 OD2 ASP A 63 -1.002 -3.588 12.500 1.00 23.34 O ATOM 0 H ASP A 63 -1.234 -1.393 8.028 1.00 11.22 H new ATOM 0 HA ASP A 63 -2.841 -3.265 9.626 1.00 62.24 H new ATOM 0 HB2 ASP A 63 -0.908 -1.171 10.667 1.00 24.14 H new ATOM 0 HB3 ASP A 63 -2.293 -1.681 11.611 1.00 24.14 H new ATOM 1002 N SER A 64 -4.327 -1.096 10.350 1.00 72.11 N ATOM 1003 CA SER A 64 -5.417 -0.131 10.282 1.00 52.53 C ATOM 1004 C SER A 64 -4.928 1.270 10.638 1.00 22.41 C ATOM 1005 O SER A 64 -5.458 2.266 10.147 1.00 32.43 O ATOM 1006 CB SER A 64 -6.548 -0.544 11.225 1.00 64.41 C ATOM 1007 OG SER A 64 -7.658 0.326 11.100 1.00 73.23 O ATOM 0 H SER A 64 -4.295 -1.638 11.214 1.00 72.11 H new ATOM 0 HA SER A 64 -5.792 -0.115 9.259 1.00 52.53 H new ATOM 0 HB2 SER A 64 -6.856 -1.566 11.003 1.00 64.41 H new ATOM 0 HB3 SER A 64 -6.189 -0.535 12.254 1.00 64.41 H new ATOM 0 HG SER A 64 -8.368 0.040 11.712 1.00 73.23 H new ATOM 1013 N GLU A 65 -3.916 1.336 11.497 1.00 40.42 N ATOM 1014 CA GLU A 65 -3.355 2.613 11.920 1.00 32.12 C ATOM 1015 C GLU A 65 -2.795 3.385 10.730 1.00 45.22 C ATOM 1016 O GLU A 65 -2.870 4.613 10.681 1.00 23.44 O ATOM 1017 CB GLU A 65 -2.257 2.389 12.959 1.00 33.34 C ATOM 1018 CG GLU A 65 -1.135 1.485 12.476 1.00 23.13 C ATOM 1019 CD GLU A 65 -0.396 0.814 13.619 1.00 42.01 C ATOM 1020 OE1 GLU A 65 0.198 1.536 14.445 1.00 2.53 O ATOM 1021 OE2 GLU A 65 -0.413 -0.433 13.682 1.00 34.41 O ATOM 0 H GLU A 65 -3.468 0.520 11.914 1.00 40.42 H new ATOM 0 HA GLU A 65 -4.156 3.203 12.366 1.00 32.12 H new ATOM 0 HB2 GLU A 65 -1.837 3.353 13.245 1.00 33.34 H new ATOM 0 HB3 GLU A 65 -2.700 1.956 13.856 1.00 33.34 H new ATOM 0 HG2 GLU A 65 -1.547 0.721 11.816 1.00 23.13 H new ATOM 0 HG3 GLU A 65 -0.430 2.070 11.886 1.00 23.13 H new ATOM 1028 N THR A 66 -2.239 2.656 9.766 1.00 13.30 N ATOM 1029 CA THR A 66 -1.667 3.272 8.576 1.00 33.34 C ATOM 1030 C THR A 66 -2.760 3.755 7.629 1.00 3.40 C ATOM 1031 O THR A 66 -2.522 4.609 6.776 1.00 52.45 O ATOM 1032 CB THR A 66 -0.748 2.291 7.828 1.00 4.34 C ATOM 1033 OG1 THR A 66 0.201 1.718 8.731 1.00 61.14 O ATOM 1034 CG2 THR A 66 -0.018 2.996 6.696 1.00 1.41 C ATOM 0 H THR A 66 -2.173 1.638 9.787 1.00 13.30 H new ATOM 0 HA THR A 66 -1.079 4.127 8.910 1.00 33.34 H new ATOM 0 HB THR A 66 -1.366 1.499 7.406 1.00 4.34 H new ATOM 0 HG1 THR A 66 0.780 1.094 8.245 1.00 61.14 H new ATOM 0 HG21 THR A 66 0.627 2.284 6.180 1.00 1.41 H new ATOM 0 HG22 THR A 66 -0.744 3.404 5.993 1.00 1.41 H new ATOM 0 HG23 THR A 66 0.588 3.806 7.102 1.00 1.41 H new ATOM 1042 N MET A 67 -3.959 3.203 7.782 1.00 0.00 N ATOM 1043 CA MET A 67 -5.088 3.580 6.941 1.00 35.11 C ATOM 1044 C MET A 67 -5.896 4.704 7.584 1.00 25.43 C ATOM 1045 O MET A 67 -7.127 4.665 7.605 1.00 44.33 O ATOM 1046 CB MET A 67 -5.986 2.368 6.688 1.00 13.11 C ATOM 1047 CG MET A 67 -6.911 2.542 5.495 1.00 71.13 C ATOM 1048 SD MET A 67 -6.019 2.603 3.928 1.00 72.41 S ATOM 1049 CE MET A 67 -5.162 1.030 3.967 1.00 64.24 C ATOM 0 H MET A 67 -4.174 2.492 8.482 1.00 0.00 H new ATOM 0 HA MET A 67 -4.697 3.940 5.989 1.00 35.11 H new ATOM 0 HB2 MET A 67 -5.361 1.489 6.529 1.00 13.11 H new ATOM 0 HB3 MET A 67 -6.585 2.177 7.578 1.00 13.11 H new ATOM 0 HG2 MET A 67 -7.625 1.719 5.471 1.00 71.13 H new ATOM 0 HG3 MET A 67 -7.487 3.460 5.617 1.00 71.13 H new ATOM 0 HE1 MET A 67 -5.176 0.583 2.973 1.00 64.24 H new ATOM 0 HE2 MET A 67 -4.130 1.186 4.280 1.00 64.24 H new ATOM 0 HE3 MET A 67 -5.658 0.363 4.672 1.00 64.24 H new ATOM 1059 N LYS A 68 -5.196 5.698 8.122 1.00 72.33 N ATOM 1060 CA LYS A 68 -5.846 6.832 8.766 1.00 1.03 C ATOM 1061 C LYS A 68 -5.614 8.113 7.973 1.00 44.24 C ATOM 1062 O LYS A 68 -4.479 8.568 7.829 1.00 34.21 O ATOM 1063 CB LYS A 68 -5.324 7.000 10.194 1.00 24.35 C ATOM 1064 CG LYS A 68 -6.299 6.523 11.258 1.00 62.34 C ATOM 1065 CD LYS A 68 -5.818 5.241 11.917 1.00 64.13 C ATOM 1066 CE LYS A 68 -6.910 4.608 12.763 1.00 63.24 C ATOM 1067 NZ LYS A 68 -7.790 3.717 11.958 1.00 13.34 N ATOM 0 H LYS A 68 -4.177 5.740 8.124 1.00 72.33 H new ATOM 0 HA LYS A 68 -6.918 6.636 8.799 1.00 1.03 H new ATOM 0 HB2 LYS A 68 -4.389 6.450 10.297 1.00 24.35 H new ATOM 0 HB3 LYS A 68 -5.096 8.052 10.367 1.00 24.35 H new ATOM 0 HG2 LYS A 68 -6.422 7.298 12.014 1.00 62.34 H new ATOM 0 HG3 LYS A 68 -7.278 6.357 10.808 1.00 62.34 H new ATOM 0 HD2 LYS A 68 -5.494 4.536 11.151 1.00 64.13 H new ATOM 0 HD3 LYS A 68 -4.950 5.454 12.541 1.00 64.13 H new ATOM 0 HE2 LYS A 68 -6.456 4.035 13.572 1.00 63.24 H new ATOM 0 HE3 LYS A 68 -7.511 5.391 13.225 1.00 63.24 H new ATOM 0 HZ1 LYS A 68 -8.301 3.069 12.591 1.00 13.34 H new ATOM 0 HZ2 LYS A 68 -8.474 4.293 11.427 1.00 13.34 H new ATOM 0 HZ3 LYS A 68 -7.211 3.166 11.293 1.00 13.34 H new ATOM 1081 N GLU A 69 -6.696 8.694 7.465 1.00 0.00 N ATOM 1082 CA GLU A 69 -6.610 9.924 6.688 1.00 31.54 C ATOM 1083 C GLU A 69 -6.452 11.131 7.607 1.00 72.34 C ATOM 1084 O GLU A 69 -7.177 11.274 8.590 1.00 3.10 O ATOM 1085 CB GLU A 69 -7.856 10.093 5.816 1.00 24.34 C ATOM 1086 CG GLU A 69 -8.094 8.934 4.863 1.00 24.12 C ATOM 1087 CD GLU A 69 -9.067 7.911 5.418 1.00 0.05 C ATOM 1088 OE1 GLU A 69 -10.289 8.107 5.245 1.00 23.33 O ATOM 1089 OE2 GLU A 69 -8.607 6.913 6.013 1.00 52.54 O ATOM 0 H GLU A 69 -7.643 8.332 7.578 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.733 9.858 6.044 1.00 31.54 H new ATOM 0 HB2 GLU A 69 -8.727 10.207 6.461 1.00 24.34 H new ATOM 0 HB3 GLU A 69 -7.763 11.013 5.239 1.00 24.34 H new ATOM 0 HG2 GLU A 69 -8.477 9.319 3.918 1.00 24.12 H new ATOM 0 HG3 GLU A 69 -7.144 8.446 4.647 1.00 24.12 H new ATOM 1096 N GLU A 70 -5.497 11.992 7.279 1.00 53.42 N ATOM 1097 CA GLU A 70 -5.241 13.196 8.065 1.00 64.12 C ATOM 1098 C GLU A 70 -4.191 14.080 7.397 1.00 33.30 C ATOM 1099 O GLU A 70 -3.383 13.607 6.600 1.00 60.12 O ATOM 1100 CB GLU A 70 -4.776 12.810 9.471 1.00 74.24 C ATOM 1101 CG GLU A 70 -3.296 12.490 9.560 1.00 1.12 C ATOM 1102 CD GLU A 70 -2.973 11.554 10.707 1.00 14.24 C ATOM 1103 OE1 GLU A 70 -3.168 11.956 11.875 1.00 75.52 O ATOM 1104 OE2 GLU A 70 -2.537 10.417 10.433 1.00 13.10 O ATOM 0 H GLU A 70 -4.884 11.880 6.471 1.00 53.42 H new ATOM 0 HA GLU A 70 -6.170 13.762 8.130 1.00 64.12 H new ATOM 0 HB2 GLU A 70 -5.003 13.627 10.156 1.00 74.24 H new ATOM 0 HB3 GLU A 70 -5.346 11.944 9.807 1.00 74.24 H new ATOM 0 HG2 GLU A 70 -2.968 12.039 8.624 1.00 1.12 H new ATOM 0 HG3 GLU A 70 -2.734 13.416 9.682 1.00 1.12 H new ATOM 1111 N ARG A 71 -4.202 15.366 7.732 1.00 23.55 N ATOM 1112 CA ARG A 71 -3.252 16.312 7.163 1.00 13.45 C ATOM 1113 C ARG A 71 -2.354 16.896 8.246 1.00 22.45 C ATOM 1114 O ARG A 71 -2.706 17.888 8.885 1.00 23.41 O ATOM 1115 CB ARG A 71 -3.995 17.433 6.437 1.00 2.33 C ATOM 1116 CG ARG A 71 -3.216 18.025 5.272 1.00 51.14 C ATOM 1117 CD ARG A 71 -3.300 19.543 5.256 1.00 14.44 C ATOM 1118 NE ARG A 71 -4.509 20.020 4.590 1.00 71.42 N ATOM 1119 CZ ARG A 71 -4.896 21.291 4.589 1.00 34.54 C ATOM 1120 NH1 ARG A 71 -4.179 22.207 5.224 1.00 43.21 N ATOM 1121 NH2 ARG A 71 -6.009 21.644 3.960 1.00 74.11 N ATOM 0 H ARG A 71 -4.859 15.776 8.395 1.00 23.55 H new ATOM 0 HA ARG A 71 -2.626 15.779 6.448 1.00 13.45 H new ATOM 0 HB2 ARG A 71 -4.946 17.048 6.069 1.00 2.33 H new ATOM 0 HB3 ARG A 71 -4.226 18.225 7.149 1.00 2.33 H new ATOM 0 HG2 ARG A 71 -2.172 17.719 5.338 1.00 51.14 H new ATOM 0 HG3 ARG A 71 -3.605 17.629 4.334 1.00 51.14 H new ATOM 0 HD2 ARG A 71 -3.279 19.917 6.279 1.00 14.44 H new ATOM 0 HD3 ARG A 71 -2.424 19.949 4.750 1.00 14.44 H new ATOM 0 HE ARG A 71 -5.088 19.340 4.098 1.00 71.42 H new ATOM 0 HH11 ARG A 71 -3.327 21.937 5.716 1.00 43.21 H new ATOM 0 HH12 ARG A 71 -4.479 23.182 5.221 1.00 43.21 H new ATOM 0 HH21 ARG A 71 -6.567 20.940 3.477 1.00 74.11 H new ATOM 0 HH22 ARG A 71 -6.307 22.620 3.959 1.00 74.11 H new ATOM 1135 N ILE A 72 -1.193 16.287 8.447 1.00 32.20 N ATOM 1136 CA ILE A 72 -0.249 16.752 9.455 1.00 20.50 C ATOM 1137 C ILE A 72 0.556 17.941 8.945 1.00 52.42 C ATOM 1138 O ILE A 72 1.468 17.788 8.133 1.00 24.55 O ATOM 1139 CB ILE A 72 0.716 15.630 9.876 1.00 11.54 C ATOM 1140 CG1 ILE A 72 -0.058 14.435 10.433 1.00 40.11 C ATOM 1141 CG2 ILE A 72 1.710 16.149 10.909 1.00 55.44 C ATOM 1142 CD1 ILE A 72 -0.172 13.286 9.456 1.00 35.50 C ATOM 0 H ILE A 72 -0.882 15.468 7.924 1.00 32.20 H new ATOM 0 HA ILE A 72 -0.833 17.061 10.322 1.00 20.50 H new ATOM 0 HB ILE A 72 1.268 15.300 8.996 1.00 11.54 H new ATOM 0 HG12 ILE A 72 0.434 14.084 11.340 1.00 40.11 H new ATOM 0 HG13 ILE A 72 -1.058 14.760 10.718 1.00 40.11 H new ATOM 0 HG21 ILE A 72 2.387 15.345 11.198 1.00 55.44 H new ATOM 0 HG22 ILE A 72 2.284 16.971 10.481 1.00 55.44 H new ATOM 0 HG23 ILE A 72 1.170 16.503 11.787 1.00 55.44 H new ATOM 0 HD11 ILE A 72 -0.733 12.472 9.916 1.00 35.50 H new ATOM 0 HD12 ILE A 72 -0.690 13.622 8.558 1.00 35.50 H new ATOM 0 HD13 ILE A 72 0.825 12.935 9.189 1.00 35.50 H new ATOM 1154 N THR A 73 0.213 19.132 9.426 1.00 52.32 N ATOM 1155 CA THR A 73 0.906 20.350 9.024 1.00 62.35 C ATOM 1156 C THR A 73 2.106 20.623 9.924 1.00 73.23 C ATOM 1157 O THR A 73 1.953 20.858 11.122 1.00 54.54 O ATOM 1158 CB THR A 73 -0.035 21.567 9.054 1.00 3.34 C ATOM 1159 OG1 THR A 73 0.694 22.762 8.770 1.00 41.54 O ATOM 1160 CG2 THR A 73 -0.713 21.695 10.409 1.00 11.35 C ATOM 0 H THR A 73 -0.542 19.279 10.096 1.00 52.32 H new ATOM 0 HA THR A 73 1.252 20.195 8.002 1.00 62.35 H new ATOM 0 HB THR A 73 -0.801 21.420 8.292 1.00 3.34 H new ATOM 0 HG1 THR A 73 0.085 23.529 8.790 1.00 41.54 H new ATOM 0 HG21 THR A 73 -1.373 22.563 10.405 1.00 11.35 H new ATOM 0 HG22 THR A 73 -1.296 20.796 10.610 1.00 11.35 H new ATOM 0 HG23 THR A 73 0.043 21.818 11.184 1.00 11.35 H new ATOM 1168 N GLN A 74 3.298 20.591 9.339 1.00 1.53 N ATOM 1169 CA GLN A 74 4.523 20.839 10.089 1.00 1.32 C ATOM 1170 C GLN A 74 5.122 22.192 9.721 1.00 32.52 C ATOM 1171 O GLN A 74 4.745 22.791 8.716 1.00 41.15 O ATOM 1172 CB GLN A 74 5.540 19.729 9.825 1.00 63.32 C ATOM 1173 CG GLN A 74 4.939 18.333 9.870 1.00 4.30 C ATOM 1174 CD GLN A 74 5.989 17.253 9.703 1.00 52.33 C ATOM 1175 OE1 GLN A 74 7.176 17.474 9.930 1.00 15.31 O ATOM 1176 NE2 GLN A 74 5.558 16.066 9.305 1.00 61.31 N ATOM 0 H GLN A 74 3.442 20.396 8.348 1.00 1.53 H new ATOM 0 HA GLN A 74 4.274 20.849 11.150 1.00 1.32 H new ATOM 0 HB2 GLN A 74 5.995 19.889 8.847 1.00 63.32 H new ATOM 0 HB3 GLN A 74 6.339 19.796 10.563 1.00 63.32 H new ATOM 0 HG2 GLN A 74 4.423 18.192 10.820 1.00 4.30 H new ATOM 0 HG3 GLN A 74 4.191 18.235 9.083 1.00 4.30 H new ATOM 0 HE21 GLN A 74 4.565 15.918 9.126 1.00 61.31 H new ATOM 0 HE22 GLN A 74 6.219 15.300 9.178 1.00 61.31 H new ATOM 1185 N GLU A 75 6.056 22.665 10.540 1.00 54.34 N ATOM 1186 CA GLU A 75 6.704 23.952 10.302 1.00 1.23 C ATOM 1187 C GLU A 75 8.203 23.791 10.123 1.00 1.11 C ATOM 1188 O GLU A 75 8.864 24.767 9.748 1.00 2.51 O ATOM 1189 CB GLU A 75 6.445 24.903 11.468 1.00 52.33 C ATOM 1190 CG GLU A 75 5.085 25.569 11.413 1.00 43.23 C ATOM 1191 CD GLU A 75 5.003 26.645 10.349 1.00 71.23 C ATOM 1192 OE1 GLU A 75 6.047 27.250 10.031 1.00 64.54 O ATOM 1193 OE2 GLU A 75 3.891 26.873 9.829 1.00 42.34 O ATOM 0 H GLU A 75 6.382 22.177 11.374 1.00 54.34 H new ATOM 0 HA GLU A 75 6.281 24.365 9.386 1.00 1.23 H new ATOM 0 HB2 GLU A 75 6.533 24.351 12.404 1.00 52.33 H new ATOM 0 HB3 GLU A 75 7.217 25.672 11.478 1.00 52.33 H new ATOM 0 HG2 GLU A 75 4.323 24.814 11.220 1.00 43.23 H new ATOM 0 HG3 GLU A 75 4.860 26.007 12.385 1.00 43.23 H new ATOM 1200 N GLU A 76 8.691 22.558 10.336 1.00 15.45 N ATOM 1201 CA GLU A 76 10.105 22.243 10.173 1.00 54.04 C ATOM 1202 C GLU A 76 10.362 21.510 8.858 1.00 73.12 C ATOM 1203 O GLU A 76 11.473 21.524 8.330 1.00 31.12 O ATOM 1204 CB GLU A 76 10.596 21.394 11.348 1.00 20.44 C ATOM 1205 CG GLU A 76 11.748 20.467 10.997 1.00 33.41 C ATOM 1206 CD GLU A 76 12.508 19.981 12.216 1.00 11.35 C ATOM 1207 OE1 GLU A 76 12.027 19.030 12.867 1.00 75.25 O ATOM 1208 OE2 GLU A 76 13.582 20.548 12.512 1.00 60.31 O ATOM 0 H GLU A 76 8.117 21.765 10.623 1.00 15.45 H new ATOM 0 HA GLU A 76 10.657 23.183 10.152 1.00 54.04 H new ATOM 0 HB2 GLU A 76 10.908 22.055 12.156 1.00 20.44 H new ATOM 0 HB3 GLU A 76 9.765 20.798 11.726 1.00 20.44 H new ATOM 0 HG2 GLU A 76 11.362 19.607 10.449 1.00 33.41 H new ATOM 0 HG3 GLU A 76 12.436 20.987 10.330 1.00 33.41 H new ATOM 1215 N GLY A 77 9.325 20.867 8.332 1.00 41.21 N ATOM 1216 CA GLY A 77 9.460 20.137 7.087 1.00 44.15 C ATOM 1217 C GLY A 77 8.356 20.472 6.104 1.00 41.22 C ATOM 1218 O GLY A 77 8.491 21.388 5.294 1.00 0.00 O ATOM 0 H GLY A 77 8.393 20.839 8.746 1.00 41.21 H new ATOM 0 HA2 GLY A 77 10.426 20.365 6.637 1.00 44.15 H new ATOM 0 HA3 GLY A 77 9.449 19.067 7.292 1.00 44.15 H new ATOM 1222 N GLY A 78 7.263 19.720 6.163 1.00 12.05 N ATOM 1223 CA GLY A 78 6.155 19.948 5.255 1.00 74.45 C ATOM 1224 C GLY A 78 4.832 19.481 5.829 1.00 65.43 C ATOM 1225 O GLY A 78 4.718 19.247 7.031 1.00 3.34 O ATOM 0 H GLY A 78 7.124 18.956 6.824 1.00 12.05 H new ATOM 0 HA2 GLY A 78 6.092 21.011 5.023 1.00 74.45 H new ATOM 0 HA3 GLY A 78 6.345 19.427 4.316 1.00 74.45 H new ATOM 1229 N ILE A 79 3.830 19.342 4.969 1.00 71.12 N ATOM 1230 CA ILE A 79 2.509 18.899 5.396 1.00 13.03 C ATOM 1231 C ILE A 79 2.289 17.427 5.064 1.00 51.43 C ATOM 1232 O ILE A 79 1.786 17.092 3.991 1.00 14.25 O ATOM 1233 CB ILE A 79 1.391 19.740 4.748 1.00 24.41 C ATOM 1234 CG1 ILE A 79 1.563 21.217 5.103 1.00 63.43 C ATOM 1235 CG2 ILE A 79 0.026 19.231 5.183 1.00 1.44 C ATOM 1236 CD1 ILE A 79 0.536 22.114 4.450 1.00 45.03 C ATOM 0 H ILE A 79 3.908 19.530 3.970 1.00 71.12 H new ATOM 0 HA ILE A 79 2.466 19.033 6.477 1.00 13.03 H new ATOM 0 HB ILE A 79 1.460 19.641 3.665 1.00 24.41 H new ATOM 0 HG12 ILE A 79 1.500 21.333 6.185 1.00 63.43 H new ATOM 0 HG13 ILE A 79 2.560 21.541 4.805 1.00 63.43 H new ATOM 0 HG21 ILE A 79 -0.753 19.835 4.717 1.00 1.44 H new ATOM 0 HG22 ILE A 79 -0.089 18.191 4.877 1.00 1.44 H new ATOM 0 HG23 ILE A 79 -0.060 19.301 6.267 1.00 1.44 H new ATOM 0 HD11 ILE A 79 0.716 23.148 4.744 1.00 45.03 H new ATOM 0 HD12 ILE A 79 0.613 22.027 3.366 1.00 45.03 H new ATOM 0 HD13 ILE A 79 -0.463 21.815 4.768 1.00 45.03 H new ATOM 1248 N TYR A 80 2.670 16.552 5.987 1.00 13.23 N ATOM 1249 CA TYR A 80 2.512 15.116 5.792 1.00 11.34 C ATOM 1250 C TYR A 80 1.043 14.714 5.869 1.00 22.14 C ATOM 1251 O TYR A 80 0.448 14.690 6.946 1.00 51.04 O ATOM 1252 CB TYR A 80 3.319 14.346 6.835 1.00 23.42 C ATOM 1253 CG TYR A 80 3.959 13.088 6.301 1.00 52.12 C ATOM 1254 CD1 TYR A 80 5.088 13.152 5.492 1.00 31.33 C ATOM 1255 CD2 TYR A 80 3.434 11.838 6.607 1.00 11.31 C ATOM 1256 CE1 TYR A 80 5.678 12.002 5.000 1.00 33.30 C ATOM 1257 CE2 TYR A 80 4.019 10.685 6.118 1.00 13.11 C ATOM 1258 CZ TYR A 80 5.141 10.768 5.315 1.00 13.31 C ATOM 1259 OH TYR A 80 5.729 9.618 4.837 1.00 42.22 O ATOM 0 H TYR A 80 3.091 16.812 6.879 1.00 13.23 H new ATOM 0 HA TYR A 80 2.886 14.867 4.799 1.00 11.34 H new ATOM 0 HB2 TYR A 80 4.097 14.998 7.233 1.00 23.42 H new ATOM 0 HB3 TYR A 80 2.665 14.085 7.667 1.00 23.42 H new ATOM 0 HD1 TYR A 80 5.511 14.114 5.244 1.00 31.33 H new ATOM 0 HD2 TYR A 80 2.558 11.767 7.235 1.00 11.31 H new ATOM 0 HE1 TYR A 80 6.554 12.068 4.372 1.00 33.30 H new ATOM 0 HE2 TYR A 80 3.600 9.720 6.363 1.00 13.11 H new ATOM 0 HH TYR A 80 5.227 8.838 5.153 1.00 42.22 H new ATOM 1269 N VAL A 81 0.460 14.399 4.719 1.00 61.43 N ATOM 1270 CA VAL A 81 -0.939 13.994 4.653 1.00 1.21 C ATOM 1271 C VAL A 81 -1.094 12.683 3.891 1.00 51.34 C ATOM 1272 O VAL A 81 -0.616 12.546 2.765 1.00 4.11 O ATOM 1273 CB VAL A 81 -1.806 15.076 3.983 1.00 5.20 C ATOM 1274 CG1 VAL A 81 -1.177 15.537 2.680 1.00 13.31 C ATOM 1275 CG2 VAL A 81 -3.217 14.563 3.745 1.00 51.31 C ATOM 0 H VAL A 81 0.936 14.416 3.817 1.00 61.43 H new ATOM 0 HA VAL A 81 -1.279 13.855 5.679 1.00 1.21 H new ATOM 0 HB VAL A 81 -1.863 15.931 4.656 1.00 5.20 H new ATOM 0 HG11 VAL A 81 -1.806 16.301 2.223 1.00 13.31 H new ATOM 0 HG12 VAL A 81 -0.189 15.951 2.880 1.00 13.31 H new ATOM 0 HG13 VAL A 81 -1.085 14.690 2.001 1.00 13.31 H new ATOM 0 HG21 VAL A 81 -3.813 15.343 3.271 1.00 51.31 H new ATOM 0 HG22 VAL A 81 -3.181 13.688 3.095 1.00 51.31 H new ATOM 0 HG23 VAL A 81 -3.670 14.289 4.698 1.00 51.31 H new ATOM 1285 N SER A 82 -1.774 11.722 4.508 1.00 43.44 N ATOM 1286 CA SER A 82 -1.995 10.421 3.889 1.00 64.31 C ATOM 1287 C SER A 82 -3.463 10.229 3.527 1.00 63.41 C ATOM 1288 O SER A 82 -4.247 9.709 4.321 1.00 0.22 O ATOM 1289 CB SER A 82 -1.541 9.304 4.829 1.00 51.04 C ATOM 1290 OG SER A 82 -0.386 9.694 5.551 1.00 33.33 O ATOM 0 H SER A 82 -2.182 11.821 5.438 1.00 43.44 H new ATOM 0 HA SER A 82 -1.407 10.380 2.972 1.00 64.31 H new ATOM 0 HB2 SER A 82 -2.344 9.058 5.524 1.00 51.04 H new ATOM 0 HB3 SER A 82 -1.329 8.402 4.254 1.00 51.04 H new ATOM 0 HG SER A 82 -0.112 8.967 6.148 1.00 33.33 H new ATOM 1296 N LYS A 83 -3.832 10.658 2.325 1.00 40.43 N ATOM 1297 CA LYS A 83 -5.207 10.538 1.855 1.00 43.42 C ATOM 1298 C LYS A 83 -5.247 10.151 0.381 1.00 42.45 C ATOM 1299 O LYS A 83 -4.213 10.067 -0.280 1.00 5.01 O ATOM 1300 CB LYS A 83 -5.957 11.854 2.071 1.00 43.33 C ATOM 1301 CG LYS A 83 -5.833 12.822 0.906 1.00 55.01 C ATOM 1302 CD LYS A 83 -4.381 13.129 0.585 1.00 61.12 C ATOM 1303 CE LYS A 83 -4.186 14.594 0.231 1.00 3.14 C ATOM 1304 NZ LYS A 83 -4.872 14.951 -1.039 1.00 54.03 N ATOM 0 H LYS A 83 -3.196 11.093 1.657 1.00 40.43 H new ATOM 0 HA LYS A 83 -5.695 9.751 2.430 1.00 43.42 H new ATOM 0 HB2 LYS A 83 -7.011 11.638 2.243 1.00 43.33 H new ATOM 0 HB3 LYS A 83 -5.579 12.334 2.974 1.00 43.33 H new ATOM 0 HG2 LYS A 83 -6.319 12.398 0.027 1.00 55.01 H new ATOM 0 HG3 LYS A 83 -6.357 13.748 1.144 1.00 55.01 H new ATOM 0 HD2 LYS A 83 -3.756 12.874 1.441 1.00 61.12 H new ATOM 0 HD3 LYS A 83 -4.052 12.506 -0.246 1.00 61.12 H new ATOM 0 HE2 LYS A 83 -4.569 15.217 1.039 1.00 3.14 H new ATOM 0 HE3 LYS A 83 -3.121 14.808 0.141 1.00 3.14 H new ATOM 0 HZ1 LYS A 83 -4.716 15.958 -1.247 1.00 54.03 H new ATOM 0 HZ2 LYS A 83 -4.489 14.374 -1.815 1.00 54.03 H new ATOM 0 HZ3 LYS A 83 -5.892 14.771 -0.945 1.00 54.03 H new ATOM 1318 N PHE A 84 -6.450 9.930 -0.136 1.00 52.24 N ATOM 1319 CA PHE A 84 -6.624 9.560 -1.534 1.00 41.33 C ATOM 1320 C PHE A 84 -6.547 10.786 -2.440 1.00 4.04 C ATOM 1321 O PHE A 84 -7.093 11.844 -2.120 1.00 73.53 O ATOM 1322 CB PHE A 84 -7.965 8.852 -1.727 1.00 11.30 C ATOM 1323 CG PHE A 84 -9.143 9.650 -1.253 1.00 33.41 C ATOM 1324 CD1 PHE A 84 -9.719 10.610 -2.071 1.00 73.54 C ATOM 1325 CD2 PHE A 84 -9.679 9.432 0.007 1.00 61.43 C ATOM 1326 CE1 PHE A 84 -10.806 11.347 -1.635 1.00 45.45 C ATOM 1327 CE2 PHE A 84 -10.765 10.167 0.444 1.00 73.13 C ATOM 1328 CZ PHE A 84 -11.328 11.128 -0.375 1.00 13.03 C ATOM 0 H PHE A 84 -7.319 10.001 0.393 1.00 52.24 H new ATOM 0 HA PHE A 84 -5.816 8.882 -1.808 1.00 41.33 H new ATOM 0 HB2 PHE A 84 -8.095 8.622 -2.784 1.00 11.30 H new ATOM 0 HB3 PHE A 84 -7.944 7.901 -1.194 1.00 11.30 H new ATOM 0 HD1 PHE A 84 -9.316 10.784 -3.058 1.00 73.54 H new ATOM 0 HD2 PHE A 84 -9.245 8.682 0.652 1.00 61.43 H new ATOM 0 HE1 PHE A 84 -11.246 12.093 -2.280 1.00 45.45 H new ATOM 0 HE2 PHE A 84 -11.175 9.990 1.428 1.00 73.13 H new ATOM 0 HZ PHE A 84 -12.173 11.706 -0.031 1.00 13.03 H new ATOM 1338 N THR A 85 -5.876 10.636 -3.576 1.00 43.25 N ATOM 1339 CA THR A 85 -5.729 11.732 -4.528 1.00 24.51 C ATOM 1340 C THR A 85 -6.725 11.601 -5.673 1.00 74.42 C ATOM 1341 O THR A 85 -6.645 12.323 -6.667 1.00 11.13 O ATOM 1342 CB THR A 85 -4.303 11.785 -5.104 1.00 14.30 C ATOM 1343 OG1 THR A 85 -4.046 10.611 -5.874 1.00 54.12 O ATOM 1344 CG2 THR A 85 -3.277 11.899 -3.987 1.00 60.45 C ATOM 0 H THR A 85 -5.425 9.767 -3.861 1.00 43.25 H new ATOM 0 HA THR A 85 -5.927 12.655 -3.983 1.00 24.51 H new ATOM 0 HB THR A 85 -4.222 12.664 -5.744 1.00 14.30 H new ATOM 0 HG1 THR A 85 -3.106 10.600 -6.149 1.00 54.12 H new ATOM 0 HG21 THR A 85 -2.275 11.935 -4.415 1.00 60.45 H new ATOM 0 HG22 THR A 85 -3.460 12.809 -3.416 1.00 60.45 H new ATOM 0 HG23 THR A 85 -3.359 11.035 -3.328 1.00 60.45 H new ATOM 1352 N LEU A 86 -7.666 10.672 -5.533 1.00 3.32 N ATOM 1353 CA LEU A 86 -8.678 10.446 -6.558 1.00 5.14 C ATOM 1354 C LEU A 86 -9.921 9.797 -5.960 1.00 4.52 C ATOM 1355 O LEU A 86 -9.900 8.630 -5.572 1.00 73.33 O ATOM 1356 CB LEU A 86 -8.113 9.563 -7.672 1.00 4.44 C ATOM 1357 CG LEU A 86 -8.851 9.622 -9.009 1.00 15.43 C ATOM 1358 CD1 LEU A 86 -8.682 10.990 -9.654 1.00 54.04 C ATOM 1359 CD2 LEU A 86 -8.351 8.526 -9.938 1.00 14.14 C ATOM 0 H LEU A 86 -7.748 10.063 -4.719 1.00 3.32 H new ATOM 0 HA LEU A 86 -8.961 11.412 -6.976 1.00 5.14 H new ATOM 0 HB2 LEU A 86 -7.073 9.844 -7.840 1.00 4.44 H new ATOM 0 HB3 LEU A 86 -8.112 8.530 -7.325 1.00 4.44 H new ATOM 0 HG LEU A 86 -9.913 9.461 -8.825 1.00 15.43 H new ATOM 0 HD11 LEU A 86 -9.215 11.012 -10.605 1.00 54.04 H new ATOM 0 HD12 LEU A 86 -9.087 11.756 -8.993 1.00 54.04 H new ATOM 0 HD13 LEU A 86 -7.623 11.183 -9.827 1.00 54.04 H new ATOM 0 HD21 LEU A 86 -8.886 8.581 -10.886 1.00 14.14 H new ATOM 0 HD22 LEU A 86 -7.284 8.658 -10.115 1.00 14.14 H new ATOM 0 HD23 LEU A 86 -8.525 7.553 -9.479 1.00 14.14 H new ATOM 1371 N ASN A 87 -11.003 10.564 -5.885 1.00 1.23 N ATOM 1372 CA ASN A 87 -12.258 10.066 -5.337 1.00 55.02 C ATOM 1373 C ASN A 87 -13.146 9.502 -6.442 1.00 60.21 C ATOM 1374 O ASN A 87 -14.266 9.966 -6.651 1.00 32.54 O ATOM 1375 CB ASN A 87 -12.993 11.182 -4.595 1.00 13.35 C ATOM 1376 CG ASN A 87 -13.048 12.470 -5.391 1.00 62.24 C ATOM 1377 OD1 ASN A 87 -12.105 13.260 -5.379 1.00 75.32 O ATOM 1378 ND2 ASN A 87 -14.150 12.684 -6.096 1.00 73.52 N ATOM 0 H ASN A 87 -11.036 11.534 -6.197 1.00 1.23 H new ATOM 0 HA ASN A 87 -12.028 9.264 -4.635 1.00 55.02 H new ATOM 0 HB2 ASN A 87 -14.008 10.856 -4.368 1.00 13.35 H new ATOM 0 HB3 ASN A 87 -12.497 11.368 -3.642 1.00 13.35 H new ATOM 0 HD21 ASN A 87 -14.240 13.531 -6.657 1.00 73.52 H new ATOM 0 HD22 ASN A 87 -14.908 12.002 -6.077 1.00 73.52 H new ATOM 1385 N GLU A 88 -12.638 8.500 -7.151 1.00 24.33 N ATOM 1386 CA GLU A 88 -13.388 7.873 -8.233 1.00 24.14 C ATOM 1387 C GLU A 88 -14.147 6.648 -7.730 1.00 11.32 C ATOM 1388 O GLU A 88 -13.828 6.074 -6.688 1.00 1.34 O ATOM 1389 CB GLU A 88 -12.446 7.472 -9.369 1.00 44.43 C ATOM 1390 CG GLU A 88 -12.163 8.600 -10.348 1.00 42.01 C ATOM 1391 CD GLU A 88 -13.207 8.700 -11.444 1.00 15.34 C ATOM 1392 OE1 GLU A 88 -13.351 7.726 -12.211 1.00 52.22 O ATOM 1393 OE2 GLU A 88 -13.872 9.754 -11.532 1.00 54.01 O ATOM 0 H GLU A 88 -11.711 8.105 -6.996 1.00 24.33 H new ATOM 0 HA GLU A 88 -14.111 8.598 -8.608 1.00 24.14 H new ATOM 0 HB2 GLU A 88 -11.504 7.125 -8.944 1.00 44.43 H new ATOM 0 HB3 GLU A 88 -12.880 6.632 -9.911 1.00 44.43 H new ATOM 0 HG2 GLU A 88 -12.120 9.544 -9.805 1.00 42.01 H new ATOM 0 HG3 GLU A 88 -11.182 8.447 -10.799 1.00 42.01 H new ATOM 1400 N PRO A 89 -15.175 6.238 -8.487 1.00 31.13 N ATOM 1401 CA PRO A 89 -16.001 5.079 -8.141 1.00 20.22 C ATOM 1402 C PRO A 89 -15.243 3.764 -8.285 1.00 43.41 C ATOM 1403 O PRO A 89 -15.255 2.927 -7.383 1.00 61.25 O ATOM 1404 CB PRO A 89 -17.152 5.145 -9.147 1.00 4.34 C ATOM 1405 CG PRO A 89 -16.590 5.886 -10.312 1.00 44.41 C ATOM 1406 CD PRO A 89 -15.611 6.874 -9.739 1.00 11.30 C ATOM 0 HA PRO A 89 -16.326 5.109 -7.101 1.00 20.22 H new ATOM 0 HB2 PRO A 89 -17.485 4.148 -9.435 1.00 4.34 H new ATOM 0 HB3 PRO A 89 -18.016 5.661 -8.728 1.00 4.34 H new ATOM 0 HG2 PRO A 89 -16.097 5.206 -11.007 1.00 44.41 H new ATOM 0 HG3 PRO A 89 -17.378 6.394 -10.868 1.00 44.41 H new ATOM 0 HD2 PRO A 89 -14.773 7.047 -10.414 1.00 11.30 H new ATOM 0 HD3 PRO A 89 -16.078 7.842 -9.556 1.00 11.30 H new ATOM 1414 N LYS A 90 -14.584 3.587 -9.425 1.00 62.15 N ATOM 1415 CA LYS A 90 -13.820 2.374 -9.691 1.00 41.01 C ATOM 1416 C LYS A 90 -12.332 2.685 -9.802 1.00 2.12 C ATOM 1417 O LYS A 90 -11.648 2.179 -10.689 1.00 24.21 O ATOM 1418 CB LYS A 90 -14.313 1.705 -10.975 1.00 71.44 C ATOM 1419 CG LYS A 90 -15.501 0.783 -10.765 1.00 21.30 C ATOM 1420 CD LYS A 90 -16.760 1.561 -10.422 1.00 71.24 C ATOM 1421 CE LYS A 90 -17.137 1.389 -8.959 1.00 2.03 C ATOM 1422 NZ LYS A 90 -18.335 0.523 -8.793 1.00 14.43 N ATOM 0 H LYS A 90 -14.564 4.271 -10.182 1.00 62.15 H new ATOM 0 HA LYS A 90 -13.969 1.689 -8.856 1.00 41.01 H new ATOM 0 HB2 LYS A 90 -14.586 2.477 -11.695 1.00 71.44 H new ATOM 0 HB3 LYS A 90 -13.495 1.135 -11.414 1.00 71.44 H new ATOM 0 HG2 LYS A 90 -15.670 0.196 -11.668 1.00 21.30 H new ATOM 0 HG3 LYS A 90 -15.278 0.079 -9.963 1.00 21.30 H new ATOM 0 HD2 LYS A 90 -16.606 2.618 -10.638 1.00 71.24 H new ATOM 0 HD3 LYS A 90 -17.582 1.223 -11.053 1.00 71.24 H new ATOM 0 HE2 LYS A 90 -16.297 0.955 -8.416 1.00 2.03 H new ATOM 0 HE3 LYS A 90 -17.331 2.366 -8.517 1.00 2.03 H new ATOM 0 HZ1 LYS A 90 -18.559 0.431 -7.782 1.00 14.43 H new ATOM 0 HZ2 LYS A 90 -19.143 0.950 -9.289 1.00 14.43 H new ATOM 0 HZ3 LYS A 90 -18.141 -0.418 -9.192 1.00 14.43 H new ATOM 1436 N HIS A 91 -11.835 3.524 -8.898 1.00 63.43 N ATOM 1437 CA HIS A 91 -10.425 3.898 -8.895 1.00 15.30 C ATOM 1438 C HIS A 91 -10.083 4.708 -7.649 1.00 23.44 C ATOM 1439 O HIS A 91 -10.750 5.692 -7.331 1.00 0.14 O ATOM 1440 CB HIS A 91 -10.087 4.703 -10.151 1.00 1.22 C ATOM 1441 CG HIS A 91 -8.647 4.611 -10.557 1.00 64.25 C ATOM 1442 ND1 HIS A 91 -8.141 5.185 -11.706 1.00 32.32 N ATOM 1443 CD2 HIS A 91 -7.597 4.008 -9.953 1.00 1.22 C ATOM 1444 CE1 HIS A 91 -6.837 4.942 -11.793 1.00 41.15 C ATOM 1445 NE2 HIS A 91 -6.488 4.226 -10.737 1.00 31.24 N ATOM 0 H HIS A 91 -12.388 3.958 -8.158 1.00 63.43 H new ATOM 0 HA HIS A 91 -9.830 2.984 -8.888 1.00 15.30 H new ATOM 0 HB2 HIS A 91 -10.710 4.354 -10.974 1.00 1.22 H new ATOM 0 HB3 HIS A 91 -10.341 5.749 -9.980 1.00 1.22 H new ATOM 0 HD2 HIS A 91 -7.625 3.456 -9.025 1.00 1.22 H new ATOM 0 HE1 HIS A 91 -6.180 5.271 -12.585 1.00 41.15 H new ATOM 0 HE2 HIS A 91 -5.546 3.889 -10.536 1.00 31.24 H new ATOM 1453 N LYS A 92 -9.039 4.286 -6.942 1.00 13.00 N ATOM 1454 CA LYS A 92 -8.606 4.971 -5.731 1.00 2.22 C ATOM 1455 C LYS A 92 -7.084 5.003 -5.641 1.00 74.15 C ATOM 1456 O LYS A 92 -6.429 3.966 -5.735 1.00 34.31 O ATOM 1457 CB LYS A 92 -9.188 4.278 -4.496 1.00 5.12 C ATOM 1458 CG LYS A 92 -9.609 5.241 -3.401 1.00 1.33 C ATOM 1459 CD LYS A 92 -10.941 4.843 -2.783 1.00 65.42 C ATOM 1460 CE LYS A 92 -12.097 5.061 -3.746 1.00 52.52 C ATOM 1461 NZ LYS A 92 -12.813 6.336 -3.472 1.00 35.32 N ATOM 0 H LYS A 92 -8.477 3.471 -7.188 1.00 13.00 H new ATOM 0 HA LYS A 92 -8.971 5.997 -5.770 1.00 2.22 H new ATOM 0 HB2 LYS A 92 -10.050 3.683 -4.796 1.00 5.12 H new ATOM 0 HB3 LYS A 92 -8.447 3.586 -4.095 1.00 5.12 H new ATOM 0 HG2 LYS A 92 -8.842 5.269 -2.627 1.00 1.33 H new ATOM 0 HG3 LYS A 92 -9.685 6.248 -3.811 1.00 1.33 H new ATOM 0 HD2 LYS A 92 -10.906 3.794 -2.488 1.00 65.42 H new ATOM 0 HD3 LYS A 92 -11.109 5.424 -1.876 1.00 65.42 H new ATOM 0 HE2 LYS A 92 -11.721 5.068 -4.769 1.00 52.52 H new ATOM 0 HE3 LYS A 92 -12.796 4.228 -3.669 1.00 52.52 H new ATOM 0 HZ1 LYS A 92 -13.594 6.448 -4.150 1.00 35.32 H new ATOM 0 HZ2 LYS A 92 -13.194 6.319 -2.504 1.00 35.32 H new ATOM 0 HZ3 LYS A 92 -12.152 7.133 -3.570 1.00 35.32 H new ATOM 1475 N ILE A 93 -6.530 6.195 -5.451 1.00 0.10 N ATOM 1476 CA ILE A 93 -5.087 6.363 -5.339 1.00 64.32 C ATOM 1477 C ILE A 93 -4.684 6.777 -3.928 1.00 71.52 C ATOM 1478 O ILE A 93 -4.717 7.958 -3.582 1.00 33.25 O ATOM 1479 CB ILE A 93 -4.566 7.410 -6.339 1.00 63.31 C ATOM 1480 CG1 ILE A 93 -5.372 7.358 -7.638 1.00 65.12 C ATOM 1481 CG2 ILE A 93 -3.088 7.184 -6.617 1.00 2.44 C ATOM 1482 CD1 ILE A 93 -5.424 5.980 -8.262 1.00 2.11 C ATOM 0 H ILE A 93 -7.061 7.062 -5.371 1.00 0.10 H new ATOM 0 HA ILE A 93 -4.639 5.396 -5.569 1.00 64.32 H new ATOM 0 HB ILE A 93 -4.688 8.400 -5.900 1.00 63.31 H new ATOM 0 HG12 ILE A 93 -6.389 7.697 -7.439 1.00 65.12 H new ATOM 0 HG13 ILE A 93 -4.938 8.056 -8.354 1.00 65.12 H new ATOM 0 HG21 ILE A 93 -2.733 7.932 -7.326 1.00 2.44 H new ATOM 0 HG22 ILE A 93 -2.526 7.269 -5.687 1.00 2.44 H new ATOM 0 HG23 ILE A 93 -2.945 6.189 -7.037 1.00 2.44 H new ATOM 0 HD11 ILE A 93 -6.012 6.018 -9.179 1.00 2.11 H new ATOM 0 HD12 ILE A 93 -4.412 5.647 -8.493 1.00 2.11 H new ATOM 0 HD13 ILE A 93 -5.886 5.282 -7.564 1.00 2.11 H new ATOM 1494 N PHE A 94 -4.314 5.796 -3.111 1.00 61.35 N ATOM 1495 CA PHE A 94 -3.904 6.057 -1.738 1.00 1.11 C ATOM 1496 C PHE A 94 -2.407 6.344 -1.664 1.00 34.20 C ATOM 1497 O PHE A 94 -1.600 5.436 -1.468 1.00 51.42 O ATOM 1498 CB PHE A 94 -4.254 4.867 -0.843 1.00 61.44 C ATOM 1499 CG PHE A 94 -4.155 5.167 0.624 1.00 4.43 C ATOM 1500 CD1 PHE A 94 -4.676 6.345 1.139 1.00 62.54 C ATOM 1501 CD2 PHE A 94 -3.542 4.272 1.489 1.00 42.51 C ATOM 1502 CE1 PHE A 94 -4.575 6.631 2.488 1.00 2.41 C ATOM 1503 CE2 PHE A 94 -3.448 4.549 2.841 1.00 23.12 C ATOM 1504 CZ PHE A 94 -3.961 5.732 3.340 1.00 2.03 C ATOM 0 H PHE A 94 -4.290 4.812 -3.378 1.00 61.35 H new ATOM 0 HA PHE A 94 -4.442 6.937 -1.385 1.00 1.11 H new ATOM 0 HB2 PHE A 94 -5.268 4.539 -1.070 1.00 61.44 H new ATOM 0 HB3 PHE A 94 -3.589 4.037 -1.081 1.00 61.44 H new ATOM 0 HD1 PHE A 94 -5.166 7.046 0.479 1.00 62.54 H new ATOM 0 HD2 PHE A 94 -3.134 3.350 1.103 1.00 42.51 H new ATOM 0 HE1 PHE A 94 -4.975 7.556 2.876 1.00 2.41 H new ATOM 0 HE2 PHE A 94 -2.974 3.842 3.506 1.00 23.12 H new ATOM 0 HZ PHE A 94 -3.882 5.953 4.394 1.00 2.03 H new ATOM 1514 N GLU A 95 -2.045 7.612 -1.819 1.00 2.51 N ATOM 1515 CA GLU A 95 -0.646 8.024 -1.765 1.00 74.22 C ATOM 1516 C GLU A 95 -0.407 9.006 -0.621 1.00 62.43 C ATOM 1517 O GLU A 95 -0.980 10.094 -0.595 1.00 1.23 O ATOM 1518 CB GLU A 95 -0.230 8.660 -3.092 1.00 65.12 C ATOM 1519 CG GLU A 95 -1.394 9.209 -3.898 1.00 31.23 C ATOM 1520 CD GLU A 95 -0.949 9.851 -5.198 1.00 54.23 C ATOM 1521 OE1 GLU A 95 0.084 10.551 -5.190 1.00 63.24 O ATOM 1522 OE2 GLU A 95 -1.644 9.665 -6.218 1.00 63.22 O ATOM 0 H GLU A 95 -2.702 8.375 -1.983 1.00 2.51 H new ATOM 0 HA GLU A 95 -0.040 7.136 -1.587 1.00 74.22 H new ATOM 0 HB2 GLU A 95 0.475 9.467 -2.893 1.00 65.12 H new ATOM 0 HB3 GLU A 95 0.297 7.917 -3.691 1.00 65.12 H new ATOM 0 HG2 GLU A 95 -2.093 8.402 -4.116 1.00 31.23 H new ATOM 0 HG3 GLU A 95 -1.932 9.944 -3.299 1.00 31.23 H new ATOM 1529 N ALA A 96 0.436 8.608 0.327 1.00 73.23 N ATOM 1530 CA ALA A 96 0.755 9.456 1.468 1.00 63.55 C ATOM 1531 C ALA A 96 2.075 10.186 1.264 1.00 75.34 C ATOM 1532 O ALA A 96 2.829 9.873 0.345 1.00 55.11 O ATOM 1533 CB ALA A 96 0.815 8.626 2.735 1.00 52.31 C ATOM 0 H ALA A 96 0.909 7.705 0.327 1.00 73.23 H new ATOM 0 HA ALA A 96 -0.034 10.202 1.561 1.00 63.55 H new ATOM 0 HB1 ALA A 96 1.054 9.270 3.581 1.00 52.31 H new ATOM 0 HB2 ALA A 96 -0.151 8.149 2.904 1.00 52.31 H new ATOM 0 HB3 ALA A 96 1.585 7.861 2.633 1.00 52.31 H new ATOM 1539 N GLY A 97 2.355 11.148 2.137 1.00 62.13 N ATOM 1540 CA GLY A 97 3.587 11.908 2.033 1.00 51.01 C ATOM 1541 C GLY A 97 3.349 13.404 2.071 1.00 72.24 C ATOM 1542 O GLY A 97 2.207 13.859 2.014 1.00 41.41 O ATOM 0 H GLY A 97 1.751 11.415 2.914 1.00 62.13 H new ATOM 0 HA2 GLY A 97 4.253 11.628 2.849 1.00 51.01 H new ATOM 0 HA3 GLY A 97 4.094 11.647 1.104 1.00 51.01 H new ATOM 1546 N TYR A 98 4.426 14.173 2.184 1.00 71.41 N ATOM 1547 CA TYR A 98 4.330 15.626 2.232 1.00 13.15 C ATOM 1548 C TYR A 98 3.502 16.157 1.067 1.00 34.15 C ATOM 1549 O TYR A 98 3.675 15.734 -0.074 1.00 61.41 O ATOM 1550 CB TYR A 98 5.724 16.252 2.206 1.00 5.24 C ATOM 1551 CG TYR A 98 6.404 16.277 3.556 1.00 33.31 C ATOM 1552 CD1 TYR A 98 5.739 16.750 4.681 1.00 32.21 C ATOM 1553 CD2 TYR A 98 7.710 15.826 3.706 1.00 21.22 C ATOM 1554 CE1 TYR A 98 6.355 16.773 5.919 1.00 41.23 C ATOM 1555 CE2 TYR A 98 8.332 15.837 4.941 1.00 22.24 C ATOM 1556 CZ TYR A 98 7.652 16.314 6.045 1.00 35.43 C ATOM 1557 OH TYR A 98 8.271 16.342 7.271 1.00 32.20 O ATOM 0 H TYR A 98 5.378 13.812 2.244 1.00 71.41 H new ATOM 0 HA TYR A 98 3.833 15.900 3.163 1.00 13.15 H new ATOM 0 HB2 TYR A 98 6.348 15.698 1.505 1.00 5.24 H new ATOM 0 HB3 TYR A 98 5.648 17.272 1.828 1.00 5.24 H new ATOM 0 HD1 TYR A 98 4.724 17.106 4.587 1.00 32.21 H new ATOM 0 HD2 TYR A 98 8.248 15.461 2.844 1.00 21.22 H new ATOM 0 HE1 TYR A 98 5.825 17.148 6.782 1.00 41.23 H new ATOM 0 HE2 TYR A 98 9.344 15.475 5.042 1.00 22.24 H new ATOM 0 HH TYR A 98 7.853 17.028 7.833 1.00 32.20 H new ATOM 1567 N GLU A 99 2.600 17.089 1.366 1.00 24.40 N ATOM 1568 CA GLU A 99 1.743 17.680 0.344 1.00 51.25 C ATOM 1569 C GLU A 99 2.572 18.277 -0.786 1.00 45.24 C ATOM 1570 O GLU A 99 2.098 18.412 -1.913 1.00 44.22 O ATOM 1571 CB GLU A 99 0.843 18.753 0.959 1.00 22.54 C ATOM 1572 CG GLU A 99 -0.600 18.674 0.494 1.00 42.44 C ATOM 1573 CD GLU A 99 -0.725 18.577 -1.014 1.00 0.34 C ATOM 1574 OE1 GLU A 99 -0.702 17.443 -1.534 1.00 12.14 O ATOM 1575 OE2 GLU A 99 -0.863 19.633 -1.663 1.00 41.05 O ATOM 0 H GLU A 99 2.445 17.450 2.307 1.00 24.40 H new ATOM 0 HA GLU A 99 1.119 16.889 -0.071 1.00 51.25 H new ATOM 0 HB2 GLU A 99 0.872 18.661 2.045 1.00 22.54 H new ATOM 0 HB3 GLU A 99 1.243 19.736 0.712 1.00 22.54 H new ATOM 0 HG2 GLU A 99 -1.077 17.807 0.950 1.00 42.44 H new ATOM 0 HG3 GLU A 99 -1.139 19.555 0.843 1.00 42.44 H new ATOM 1582 N GLU A 100 3.815 18.632 -0.474 1.00 34.41 N ATOM 1583 CA GLU A 100 4.712 19.216 -1.461 1.00 54.01 C ATOM 1584 C GLU A 100 6.062 18.506 -1.459 1.00 20.14 C ATOM 1585 O GLU A 100 7.096 19.111 -1.176 1.00 1.00 O ATOM 1586 CB GLU A 100 4.902 20.708 -1.185 1.00 21.43 C ATOM 1587 CG GLU A 100 3.642 21.531 -1.391 1.00 51.22 C ATOM 1588 CD GLU A 100 3.899 22.786 -2.204 1.00 14.04 C ATOM 1589 OE1 GLU A 100 4.734 23.604 -1.762 1.00 2.23 O ATOM 1590 OE2 GLU A 100 3.273 22.936 -3.274 1.00 45.24 O ATOM 0 H GLU A 100 4.222 18.525 0.455 1.00 34.41 H new ATOM 0 HA GLU A 100 4.262 19.091 -2.446 1.00 54.01 H new ATOM 0 HB2 GLU A 100 5.247 20.838 -0.159 1.00 21.43 H new ATOM 0 HB3 GLU A 100 5.687 21.092 -1.836 1.00 21.43 H new ATOM 0 HG2 GLU A 100 2.892 20.922 -1.895 1.00 51.22 H new ATOM 0 HG3 GLU A 100 3.229 21.808 -0.421 1.00 51.22 H new ATOM 1597 N SER A 101 6.047 17.214 -1.768 1.00 43.01 N ATOM 1598 CA SER A 101 7.269 16.420 -1.799 1.00 5.40 C ATOM 1599 C SER A 101 6.984 15.001 -2.276 1.00 74.32 C ATOM 1600 O SER A 101 5.893 14.707 -2.764 1.00 64.22 O ATOM 1601 CB SER A 101 7.912 16.384 -0.412 1.00 2.01 C ATOM 1602 OG SER A 101 9.255 16.833 -0.464 1.00 23.40 O ATOM 0 H SER A 101 5.201 16.694 -2.001 1.00 43.01 H new ATOM 0 HA SER A 101 7.959 16.888 -2.501 1.00 5.40 H new ATOM 0 HB2 SER A 101 7.342 17.010 0.274 1.00 2.01 H new ATOM 0 HB3 SER A 101 7.879 15.368 -0.018 1.00 2.01 H new ATOM 0 HG SER A 101 9.645 16.803 0.435 1.00 23.40 H new ATOM 1608 N GLU A 102 7.975 14.126 -2.135 1.00 63.25 N ATOM 1609 CA GLU A 102 7.831 12.737 -2.547 1.00 54.02 C ATOM 1610 C GLU A 102 6.883 11.983 -1.618 1.00 53.32 C ATOM 1611 O GLU A 102 6.344 12.554 -0.669 1.00 11.04 O ATOM 1612 CB GLU A 102 9.195 12.044 -2.582 1.00 20.11 C ATOM 1613 CG GLU A 102 9.774 11.774 -1.204 1.00 4.34 C ATOM 1614 CD GLU A 102 10.028 10.299 -0.955 1.00 1.05 C ATOM 1615 OE1 GLU A 102 10.382 9.593 -1.920 1.00 72.22 O ATOM 1616 OE2 GLU A 102 9.903 9.853 0.207 1.00 41.01 O ATOM 0 H GLU A 102 8.886 14.356 -1.738 1.00 63.25 H new ATOM 0 HA GLU A 102 7.405 12.729 -3.550 1.00 54.02 H new ATOM 0 HB2 GLU A 102 9.100 11.100 -3.119 1.00 20.11 H new ATOM 0 HB3 GLU A 102 9.893 12.662 -3.146 1.00 20.11 H new ATOM 0 HG2 GLU A 102 10.709 12.323 -1.093 1.00 4.34 H new ATOM 0 HG3 GLU A 102 9.089 12.154 -0.446 1.00 4.34 H new ATOM 1623 N VAL A 103 6.687 10.699 -1.896 1.00 2.44 N ATOM 1624 CA VAL A 103 5.809 9.864 -1.086 1.00 1.13 C ATOM 1625 C VAL A 103 6.597 8.823 -0.307 1.00 40.11 C ATOM 1626 O VAL A 103 7.774 8.569 -0.604 1.00 21.33 O ATOM 1627 CB VAL A 103 4.755 9.149 -1.953 1.00 13.13 C ATOM 1628 CG1 VAL A 103 3.697 10.132 -2.425 1.00 61.24 C ATOM 1629 CG2 VAL A 103 5.419 8.462 -3.130 1.00 34.15 C ATOM 0 H VAL A 103 7.126 10.213 -2.678 1.00 2.44 H new ATOM 0 HA VAL A 103 5.304 10.529 -0.386 1.00 1.13 H new ATOM 0 HB VAL A 103 4.263 8.388 -1.347 1.00 13.13 H new ATOM 0 HG11 VAL A 103 2.961 9.609 -3.036 1.00 61.24 H new ATOM 0 HG12 VAL A 103 3.202 10.576 -1.561 1.00 61.24 H new ATOM 0 HG13 VAL A 103 4.168 10.917 -3.017 1.00 61.24 H new ATOM 0 HG21 VAL A 103 4.662 7.961 -3.733 1.00 34.15 H new ATOM 0 HG22 VAL A 103 5.937 9.203 -3.739 1.00 34.15 H new ATOM 0 HG23 VAL A 103 6.136 7.727 -2.765 1.00 34.15 H new ATOM 1639 N ASP A 104 5.961 8.217 0.684 1.00 54.31 N ATOM 1640 CA ASP A 104 6.609 7.204 1.507 1.00 21.42 C ATOM 1641 C ASP A 104 5.793 5.914 1.519 1.00 2.21 C ATOM 1642 O ASP A 104 6.173 4.929 2.153 1.00 43.23 O ATOM 1643 CB ASP A 104 6.813 7.731 2.930 1.00 44.02 C ATOM 1644 CG ASP A 104 8.138 7.308 3.520 1.00 31.31 C ATOM 1645 OD1 ASP A 104 8.286 6.120 3.866 1.00 32.51 O ATOM 1646 OD2 ASP A 104 9.042 8.162 3.608 1.00 51.31 O ATOM 0 H ASP A 104 4.992 8.409 0.940 1.00 54.31 H new ATOM 0 HA ASP A 104 7.585 6.980 1.077 1.00 21.42 H new ATOM 0 HB2 ASP A 104 6.753 8.819 2.923 1.00 44.02 H new ATOM 0 HB3 ASP A 104 6.004 7.372 3.566 1.00 44.02 H new ATOM 1651 N LEU A 105 4.666 5.924 0.813 1.00 33.13 N ATOM 1652 CA LEU A 105 3.794 4.757 0.739 1.00 31.24 C ATOM 1653 C LEU A 105 2.633 5.001 -0.221 1.00 0.35 C ATOM 1654 O LEU A 105 1.962 6.029 -0.145 1.00 42.35 O ATOM 1655 CB LEU A 105 3.256 4.413 2.130 1.00 41.54 C ATOM 1656 CG LEU A 105 2.211 3.299 2.184 1.00 23.42 C ATOM 1657 CD1 LEU A 105 2.816 2.024 2.748 1.00 4.34 C ATOM 1658 CD2 LEU A 105 1.014 3.731 3.018 1.00 20.13 C ATOM 0 H LEU A 105 4.335 6.730 0.283 1.00 33.13 H new ATOM 0 HA LEU A 105 4.380 3.919 0.362 1.00 31.24 H new ATOM 0 HB2 LEU A 105 4.096 4.128 2.763 1.00 41.54 H new ATOM 0 HB3 LEU A 105 2.822 5.314 2.563 1.00 41.54 H new ATOM 0 HG LEU A 105 1.872 3.099 1.168 1.00 23.42 H new ATOM 0 HD11 LEU A 105 2.056 1.243 2.778 1.00 4.34 H new ATOM 0 HD12 LEU A 105 3.642 1.702 2.114 1.00 4.34 H new ATOM 0 HD13 LEU A 105 3.184 2.211 3.757 1.00 4.34 H new ATOM 0 HD21 LEU A 105 0.280 2.926 3.046 1.00 20.13 H new ATOM 0 HD22 LEU A 105 1.341 3.959 4.033 1.00 20.13 H new ATOM 0 HD23 LEU A 105 0.563 4.618 2.574 1.00 20.13 H new ATOM 1670 N ARG A 106 2.405 4.051 -1.119 1.00 41.04 N ATOM 1671 CA ARG A 106 1.329 4.161 -2.094 1.00 45.42 C ATOM 1672 C ARG A 106 0.628 2.820 -2.286 1.00 43.22 C ATOM 1673 O ARG A 106 1.273 1.807 -2.557 1.00 20.21 O ATOM 1674 CB ARG A 106 1.869 4.664 -3.433 1.00 40.33 C ATOM 1675 CG ARG A 106 2.725 5.915 -3.312 1.00 71.31 C ATOM 1676 CD ARG A 106 2.505 6.855 -4.487 1.00 32.15 C ATOM 1677 NE ARG A 106 3.657 6.885 -5.384 1.00 12.20 N ATOM 1678 CZ ARG A 106 3.875 5.984 -6.335 1.00 0.00 C ATOM 1679 NH1 ARG A 106 3.023 4.985 -6.512 1.00 53.01 N ATOM 1680 NH2 ARG A 106 4.939 6.084 -7.121 1.00 11.04 N ATOM 0 H ARG A 106 2.953 3.194 -1.192 1.00 41.04 H new ATOM 0 HA ARG A 106 0.603 4.879 -1.713 1.00 45.42 H new ATOM 0 HB2 ARG A 106 2.459 3.874 -3.898 1.00 40.33 H new ATOM 0 HB3 ARG A 106 1.031 4.870 -4.099 1.00 40.33 H new ATOM 0 HG2 ARG A 106 2.488 6.431 -2.382 1.00 71.31 H new ATOM 0 HG3 ARG A 106 3.777 5.634 -3.261 1.00 71.31 H new ATOM 0 HD2 ARG A 106 1.621 6.541 -5.042 1.00 32.15 H new ATOM 0 HD3 ARG A 106 2.308 7.861 -4.115 1.00 32.15 H new ATOM 0 HE ARG A 106 4.333 7.641 -5.274 1.00 12.20 H new ATOM 0 HH11 ARG A 106 2.198 4.907 -5.917 1.00 53.01 H new ATOM 0 HH12 ARG A 106 3.192 4.294 -7.243 1.00 53.01 H new ATOM 0 HH21 ARG A 106 5.594 6.856 -6.996 1.00 11.04 H new ATOM 0 HH22 ARG A 106 5.102 5.389 -7.850 1.00 11.04 H new ATOM 1694 N VAL A 107 -0.694 2.819 -2.145 1.00 20.42 N ATOM 1695 CA VAL A 107 -1.481 1.601 -2.302 1.00 11.13 C ATOM 1696 C VAL A 107 -2.824 1.897 -2.958 1.00 13.20 C ATOM 1697 O VAL A 107 -3.824 2.122 -2.277 1.00 44.11 O ATOM 1698 CB VAL A 107 -1.723 0.910 -0.947 1.00 62.34 C ATOM 1699 CG1 VAL A 107 -2.225 -0.512 -1.156 1.00 51.32 C ATOM 1700 CG2 VAL A 107 -0.451 0.918 -0.111 1.00 73.41 C ATOM 0 H VAL A 107 -1.243 3.649 -1.922 1.00 20.42 H new ATOM 0 HA VAL A 107 -0.906 0.932 -2.943 1.00 11.13 H new ATOM 0 HB VAL A 107 -2.490 1.465 -0.406 1.00 62.34 H new ATOM 0 HG11 VAL A 107 -2.391 -0.985 -0.188 1.00 51.32 H new ATOM 0 HG12 VAL A 107 -3.161 -0.489 -1.714 1.00 51.32 H new ATOM 0 HG13 VAL A 107 -1.483 -1.081 -1.716 1.00 51.32 H new ATOM 0 HG21 VAL A 107 -0.640 0.426 0.843 1.00 73.41 H new ATOM 0 HG22 VAL A 107 0.338 0.387 -0.644 1.00 73.41 H new ATOM 0 HG23 VAL A 107 -0.139 1.947 0.067 1.00 73.41 H new ATOM 1710 N GLU A 108 -2.842 1.897 -4.286 1.00 44.32 N ATOM 1711 CA GLU A 108 -4.063 2.166 -5.034 1.00 41.44 C ATOM 1712 C GLU A 108 -4.948 0.924 -5.095 1.00 0.53 C ATOM 1713 O GLU A 108 -4.454 -0.201 -5.177 1.00 1.11 O ATOM 1714 CB GLU A 108 -3.728 2.636 -6.452 1.00 5.05 C ATOM 1715 CG GLU A 108 -2.580 3.632 -6.507 1.00 35.11 C ATOM 1716 CD GLU A 108 -2.190 3.992 -7.928 1.00 54.35 C ATOM 1717 OE1 GLU A 108 -3.014 3.782 -8.842 1.00 73.45 O ATOM 1718 OE2 GLU A 108 -1.063 4.492 -8.127 1.00 14.23 O ATOM 0 H GLU A 108 -2.024 1.713 -4.867 1.00 44.32 H new ATOM 0 HA GLU A 108 -4.608 2.956 -4.517 1.00 41.44 H new ATOM 0 HB2 GLU A 108 -3.476 1.769 -7.063 1.00 5.05 H new ATOM 0 HB3 GLU A 108 -4.614 3.091 -6.894 1.00 5.05 H new ATOM 0 HG2 GLU A 108 -2.863 4.538 -5.971 1.00 35.11 H new ATOM 0 HG3 GLU A 108 -1.716 3.214 -5.991 1.00 35.11 H new ATOM 1725 N PHE A 109 -6.260 1.136 -5.055 1.00 1.10 N ATOM 1726 CA PHE A 109 -7.215 0.035 -5.101 1.00 15.43 C ATOM 1727 C PHE A 109 -8.241 0.249 -6.208 1.00 21.10 C ATOM 1728 O PHE A 109 -9.088 1.138 -6.119 1.00 65.12 O ATOM 1729 CB PHE A 109 -7.928 -0.107 -3.756 1.00 34.35 C ATOM 1730 CG PHE A 109 -7.000 -0.053 -2.576 1.00 73.43 C ATOM 1731 CD1 PHE A 109 -6.216 -1.148 -2.246 1.00 12.43 C ATOM 1732 CD2 PHE A 109 -6.911 1.092 -1.800 1.00 51.31 C ATOM 1733 CE1 PHE A 109 -5.360 -1.101 -1.161 1.00 34.34 C ATOM 1734 CE2 PHE A 109 -6.057 1.145 -0.713 1.00 21.41 C ATOM 1735 CZ PHE A 109 -5.279 0.047 -0.395 1.00 4.11 C ATOM 0 H PHE A 109 -6.686 2.061 -4.991 1.00 1.10 H new ATOM 0 HA PHE A 109 -6.662 -0.880 -5.312 1.00 15.43 H new ATOM 0 HB2 PHE A 109 -8.669 0.686 -3.661 1.00 34.35 H new ATOM 0 HB3 PHE A 109 -8.469 -1.053 -3.739 1.00 34.35 H new ATOM 0 HD1 PHE A 109 -6.274 -2.047 -2.842 1.00 12.43 H new ATOM 0 HD2 PHE A 109 -7.515 1.953 -2.047 1.00 51.31 H new ATOM 0 HE1 PHE A 109 -4.755 -1.960 -0.912 1.00 34.34 H new ATOM 0 HE2 PHE A 109 -5.998 2.042 -0.114 1.00 21.41 H new ATOM 0 HZ PHE A 109 -4.609 0.086 0.451 1.00 4.11 H new ATOM 1745 N GLU A 110 -8.152 -0.565 -7.257 1.00 0.30 N ATOM 1746 CA GLU A 110 -9.066 -0.459 -8.390 1.00 11.34 C ATOM 1747 C GLU A 110 -9.952 -1.696 -8.486 1.00 64.42 C ATOM 1748 O GLU A 110 -9.565 -2.786 -8.058 1.00 12.40 O ATOM 1749 CB GLU A 110 -8.287 -0.271 -9.694 1.00 13.00 C ATOM 1750 CG GLU A 110 -8.808 0.866 -10.558 1.00 74.43 C ATOM 1751 CD GLU A 110 -9.342 0.386 -11.895 1.00 3.12 C ATOM 1752 OE1 GLU A 110 -10.538 0.035 -11.962 1.00 52.33 O ATOM 1753 OE2 GLU A 110 -8.557 0.349 -12.865 1.00 42.44 O ATOM 0 H GLU A 110 -7.456 -1.305 -7.345 1.00 0.30 H new ATOM 0 HA GLU A 110 -9.701 0.413 -8.231 1.00 11.34 H new ATOM 0 HB2 GLU A 110 -7.239 -0.085 -9.458 1.00 13.00 H new ATOM 0 HB3 GLU A 110 -8.325 -1.198 -10.267 1.00 13.00 H new ATOM 0 HG2 GLU A 110 -9.599 1.391 -10.023 1.00 74.43 H new ATOM 0 HG3 GLU A 110 -8.006 1.585 -10.728 1.00 74.43 H new ATOM 1760 N LEU A 111 -11.143 -1.521 -9.046 1.00 40.42 N ATOM 1761 CA LEU A 111 -12.085 -2.622 -9.201 1.00 61.24 C ATOM 1762 C LEU A 111 -11.714 -3.495 -10.397 1.00 52.12 C ATOM 1763 O LEU A 111 -11.008 -3.057 -11.303 1.00 65.11 O ATOM 1764 CB LEU A 111 -13.507 -2.083 -9.369 1.00 45.23 C ATOM 1765 CG LEU A 111 -14.444 -2.283 -8.178 1.00 21.13 C ATOM 1766 CD1 LEU A 111 -15.884 -2.011 -8.583 1.00 74.21 C ATOM 1767 CD2 LEU A 111 -14.305 -3.691 -7.617 1.00 33.44 C ATOM 0 H LEU A 111 -11.479 -0.626 -9.401 1.00 40.42 H new ATOM 0 HA LEU A 111 -12.039 -3.235 -8.301 1.00 61.24 H new ATOM 0 HB2 LEU A 111 -13.447 -1.016 -9.584 1.00 45.23 H new ATOM 0 HB3 LEU A 111 -13.954 -2.559 -10.242 1.00 45.23 H new ATOM 0 HG LEU A 111 -14.164 -1.574 -7.398 1.00 21.13 H new ATOM 0 HD11 LEU A 111 -16.538 -2.158 -7.723 1.00 74.21 H new ATOM 0 HD12 LEU A 111 -15.975 -0.984 -8.936 1.00 74.21 H new ATOM 0 HD13 LEU A 111 -16.173 -2.696 -9.380 1.00 74.21 H new ATOM 0 HD21 LEU A 111 -14.980 -3.813 -6.770 1.00 33.44 H new ATOM 0 HD22 LEU A 111 -14.557 -4.417 -8.390 1.00 33.44 H new ATOM 0 HD23 LEU A 111 -13.278 -3.852 -7.289 1.00 33.44 H new ATOM 1779 N GLN A 112 -12.200 -4.733 -10.393 1.00 0.01 N ATOM 1780 CA GLN A 112 -11.924 -5.675 -11.472 1.00 11.52 C ATOM 1781 C GLN A 112 -13.213 -6.154 -12.133 1.00 24.35 C ATOM 1782 O GLN A 112 -13.605 -5.638 -13.179 1.00 63.33 O ATOM 1783 CB GLN A 112 -11.116 -6.859 -10.951 1.00 23.42 C ATOM 1784 CG GLN A 112 -9.749 -6.501 -10.410 1.00 43.04 C ATOM 1785 CD GLN A 112 -8.736 -6.287 -11.518 1.00 63.22 C ATOM 1786 OE1 GLN A 112 -8.656 -7.065 -12.470 1.00 11.23 O ATOM 1787 NE2 GLN A 112 -7.947 -5.236 -11.391 1.00 33.10 N ATOM 0 H GLN A 112 -12.790 -5.108 -9.650 1.00 0.01 H new ATOM 0 HA GLN A 112 -11.335 -5.156 -12.229 1.00 11.52 H new ATOM 0 HB2 GLN A 112 -11.686 -7.352 -10.164 1.00 23.42 H new ATOM 0 HB3 GLN A 112 -10.995 -7.582 -11.758 1.00 23.42 H new ATOM 0 HG2 GLN A 112 -9.824 -5.596 -9.808 1.00 43.04 H new ATOM 0 HG3 GLN A 112 -9.401 -7.296 -9.750 1.00 43.04 H new ATOM 0 HE21 GLN A 112 -8.047 -4.617 -10.586 1.00 33.10 H new ATOM 0 HE22 GLN A 112 -7.237 -5.043 -12.098 1.00 33.10 H new ATOM 1796 N ALA A 113 -13.858 -7.151 -11.520 1.00 15.00 N ATOM 1797 CA ALA A 113 -15.129 -7.660 -12.031 1.00 2.34 C ATOM 1798 C ALA A 113 -16.309 -6.831 -11.554 1.00 3.41 C ATOM 1799 O ALA A 113 -17.458 -7.205 -11.786 1.00 0.35 O ATOM 1800 CB ALA A 113 -15.319 -9.121 -11.621 1.00 53.33 C ATOM 0 H ALA A 113 -13.523 -7.617 -10.677 1.00 15.00 H new ATOM 0 HA ALA A 113 -15.092 -7.589 -13.118 1.00 2.34 H new ATOM 0 HB1 ALA A 113 -16.270 -9.487 -12.008 1.00 53.33 H new ATOM 0 HB2 ALA A 113 -14.506 -9.722 -12.028 1.00 53.33 H new ATOM 0 HB3 ALA A 113 -15.317 -9.197 -10.534 1.00 53.33 H new ATOM 1806 N ASP A 114 -16.021 -5.722 -10.878 1.00 13.41 N ATOM 1807 CA ASP A 114 -17.078 -4.855 -10.365 1.00 44.03 C ATOM 1808 C ASP A 114 -17.724 -5.456 -9.121 1.00 33.21 C ATOM 1809 O ASP A 114 -18.865 -5.144 -8.784 1.00 32.14 O ATOM 1810 CB ASP A 114 -18.144 -4.612 -11.438 1.00 44.53 C ATOM 1811 CG ASP A 114 -18.835 -3.271 -11.277 1.00 21.10 C ATOM 1812 OD1 ASP A 114 -18.313 -2.268 -11.811 1.00 51.21 O ATOM 1813 OD2 ASP A 114 -19.892 -3.226 -10.613 1.00 4.34 O ATOM 0 H ASP A 114 -15.073 -5.404 -10.674 1.00 13.41 H new ATOM 0 HA ASP A 114 -16.623 -3.902 -10.094 1.00 44.03 H new ATOM 0 HB2 ASP A 114 -17.681 -4.663 -12.424 1.00 44.53 H new ATOM 0 HB3 ASP A 114 -18.887 -5.408 -11.394 1.00 44.53 H new ATOM 1818 N GLY A 115 -16.986 -6.326 -8.440 1.00 22.35 N ATOM 1819 CA GLY A 115 -17.501 -6.958 -7.240 1.00 13.00 C ATOM 1820 C GLY A 115 -16.441 -7.119 -6.168 1.00 32.30 C ATOM 1821 O GLY A 115 -16.730 -7.008 -4.978 1.00 25.33 O ATOM 0 H GLY A 115 -16.039 -6.605 -8.698 1.00 22.35 H new ATOM 0 HA2 GLY A 115 -18.325 -6.364 -6.845 1.00 13.00 H new ATOM 0 HA3 GLY A 115 -17.907 -7.937 -7.495 1.00 13.00 H new ATOM 1825 N LYS A 116 -15.206 -7.376 -6.587 1.00 12.40 N ATOM 1826 CA LYS A 116 -14.099 -7.548 -5.654 1.00 42.53 C ATOM 1827 C LYS A 116 -12.932 -6.640 -6.026 1.00 3.34 C ATOM 1828 O LYS A 116 -12.468 -6.649 -7.165 1.00 63.24 O ATOM 1829 CB LYS A 116 -13.642 -9.008 -5.639 1.00 51.04 C ATOM 1830 CG LYS A 116 -14.196 -9.807 -4.471 1.00 72.15 C ATOM 1831 CD LYS A 116 -13.080 -10.400 -3.628 1.00 42.22 C ATOM 1832 CE LYS A 116 -12.444 -11.605 -4.304 1.00 72.23 C ATOM 1833 NZ LYS A 116 -11.303 -12.148 -3.518 1.00 0.41 N ATOM 0 H LYS A 116 -14.947 -7.470 -7.569 1.00 12.40 H new ATOM 0 HA LYS A 116 -14.446 -7.274 -4.658 1.00 42.53 H new ATOM 0 HB2 LYS A 116 -13.946 -9.485 -6.571 1.00 51.04 H new ATOM 0 HB3 LYS A 116 -12.553 -9.039 -5.605 1.00 51.04 H new ATOM 0 HG2 LYS A 116 -14.820 -9.163 -3.851 1.00 72.15 H new ATOM 0 HG3 LYS A 116 -14.836 -10.606 -4.845 1.00 72.15 H new ATOM 0 HD2 LYS A 116 -12.319 -9.641 -3.446 1.00 42.22 H new ATOM 0 HD3 LYS A 116 -13.475 -10.695 -2.656 1.00 42.22 H new ATOM 0 HE2 LYS A 116 -13.195 -12.384 -4.438 1.00 72.23 H new ATOM 0 HE3 LYS A 116 -12.097 -11.322 -5.298 1.00 72.23 H new ATOM 0 HZ1 LYS A 116 -10.899 -12.968 -4.014 1.00 0.41 H new ATOM 0 HZ2 LYS A 116 -10.574 -11.414 -3.411 1.00 0.41 H new ATOM 0 HZ3 LYS A 116 -11.638 -12.442 -2.578 1.00 0.41 H new ATOM 1847 N TRP A 117 -12.462 -5.861 -5.058 1.00 13.04 N ATOM 1848 CA TRP A 117 -11.346 -4.950 -5.283 1.00 23.44 C ATOM 1849 C TRP A 117 -10.020 -5.702 -5.265 1.00 51.03 C ATOM 1850 O TRP A 117 -9.865 -6.690 -4.547 1.00 71.24 O ATOM 1851 CB TRP A 117 -11.339 -3.847 -4.224 1.00 15.11 C ATOM 1852 CG TRP A 117 -12.489 -2.897 -4.348 1.00 13.15 C ATOM 1853 CD1 TRP A 117 -13.732 -3.039 -3.803 1.00 60.22 C ATOM 1854 CD2 TRP A 117 -12.502 -1.657 -5.065 1.00 33.41 C ATOM 1855 NE1 TRP A 117 -14.517 -1.963 -4.140 1.00 52.11 N ATOM 1856 CE2 TRP A 117 -13.787 -1.099 -4.912 1.00 55.15 C ATOM 1857 CE3 TRP A 117 -11.552 -0.964 -5.820 1.00 54.21 C ATOM 1858 CZ2 TRP A 117 -14.143 0.117 -5.489 1.00 52.14 C ATOM 1859 CZ3 TRP A 117 -11.907 0.244 -6.393 1.00 53.31 C ATOM 1860 CH2 TRP A 117 -13.192 0.776 -6.225 1.00 33.20 C ATOM 0 H TRP A 117 -12.837 -5.842 -4.110 1.00 13.04 H new ATOM 0 HA TRP A 117 -11.471 -4.496 -6.266 1.00 23.44 H new ATOM 0 HB2 TRP A 117 -11.359 -4.303 -3.234 1.00 15.11 H new ATOM 0 HB3 TRP A 117 -10.406 -3.288 -4.298 1.00 15.11 H new ATOM 0 HD1 TRP A 117 -14.051 -3.874 -3.197 1.00 60.22 H new ATOM 0 HE1 TRP A 117 -15.489 -1.829 -3.860 1.00 52.11 H new ATOM 0 HE3 TRP A 117 -10.558 -1.365 -5.954 1.00 54.21 H new ATOM 0 HZ2 TRP A 117 -15.134 0.527 -5.361 1.00 52.14 H new ATOM 0 HZ3 TRP A 117 -11.181 0.786 -6.980 1.00 53.31 H new ATOM 0 HH2 TRP A 117 -13.438 1.722 -6.683 1.00 33.20 H new ATOM 1871 N TYR A 118 -9.064 -5.231 -6.058 1.00 13.42 N ATOM 1872 CA TYR A 118 -7.751 -5.859 -6.132 1.00 0.12 C ATOM 1873 C TYR A 118 -6.647 -4.808 -6.166 1.00 12.53 C ATOM 1874 O TYR A 118 -6.578 -3.996 -7.088 1.00 32.11 O ATOM 1875 CB TYR A 118 -7.660 -6.754 -7.368 1.00 1.30 C ATOM 1876 CG TYR A 118 -8.358 -8.085 -7.205 1.00 11.40 C ATOM 1877 CD1 TYR A 118 -9.736 -8.191 -7.361 1.00 23.30 C ATOM 1878 CD2 TYR A 118 -7.641 -9.233 -6.890 1.00 64.32 C ATOM 1879 CE1 TYR A 118 -10.380 -9.406 -7.213 1.00 64.55 C ATOM 1880 CE2 TYR A 118 -8.275 -10.453 -6.743 1.00 31.30 C ATOM 1881 CZ TYR A 118 -9.645 -10.536 -6.910 1.00 63.31 C ATOM 1882 OH TYR A 118 -10.279 -11.746 -6.761 1.00 13.20 O ATOM 0 H TYR A 118 -9.175 -4.415 -6.660 1.00 13.42 H new ATOM 0 HA TYR A 118 -7.617 -6.471 -5.240 1.00 0.12 H new ATOM 0 HB2 TYR A 118 -8.093 -6.228 -8.219 1.00 1.30 H new ATOM 0 HB3 TYR A 118 -6.610 -6.930 -7.602 1.00 1.30 H new ATOM 0 HD1 TYR A 118 -10.313 -7.310 -7.602 1.00 23.30 H new ATOM 0 HD2 TYR A 118 -6.571 -9.171 -6.758 1.00 64.32 H new ATOM 0 HE1 TYR A 118 -11.451 -9.471 -7.334 1.00 64.55 H new ATOM 0 HE2 TYR A 118 -7.703 -11.336 -6.499 1.00 31.30 H new ATOM 0 HH TYR A 118 -9.618 -12.438 -6.550 1.00 13.20 H new ATOM 1892 N VAL A 119 -5.784 -4.830 -5.155 1.00 20.32 N ATOM 1893 CA VAL A 119 -4.681 -3.881 -5.067 1.00 53.22 C ATOM 1894 C VAL A 119 -3.896 -3.834 -6.373 1.00 13.01 C ATOM 1895 O VAL A 119 -3.578 -4.872 -6.954 1.00 52.41 O ATOM 1896 CB VAL A 119 -3.725 -4.237 -3.915 1.00 24.40 C ATOM 1897 CG1 VAL A 119 -2.530 -3.295 -3.900 1.00 13.42 C ATOM 1898 CG2 VAL A 119 -4.455 -4.205 -2.581 1.00 21.14 C ATOM 0 H VAL A 119 -5.828 -5.496 -4.384 1.00 20.32 H new ATOM 0 HA VAL A 119 -5.118 -2.901 -4.873 1.00 53.22 H new ATOM 0 HB VAL A 119 -3.358 -5.251 -4.076 1.00 24.40 H new ATOM 0 HG11 VAL A 119 -1.866 -3.563 -3.078 1.00 13.42 H new ATOM 0 HG12 VAL A 119 -1.991 -3.376 -4.844 1.00 13.42 H new ATOM 0 HG13 VAL A 119 -2.876 -2.270 -3.767 1.00 13.42 H new ATOM 0 HG21 VAL A 119 -3.761 -4.460 -1.780 1.00 21.14 H new ATOM 0 HG22 VAL A 119 -4.856 -3.206 -2.410 1.00 21.14 H new ATOM 0 HG23 VAL A 119 -5.272 -4.926 -2.596 1.00 21.14 H new ATOM 1908 N VAL A 120 -3.583 -2.625 -6.826 1.00 55.21 N ATOM 1909 CA VAL A 120 -2.833 -2.440 -8.062 1.00 24.31 C ATOM 1910 C VAL A 120 -1.681 -1.463 -7.864 1.00 1.31 C ATOM 1911 O VAL A 120 -1.387 -0.652 -8.741 1.00 34.22 O ATOM 1912 CB VAL A 120 -3.739 -1.931 -9.198 1.00 24.12 C ATOM 1913 CG1 VAL A 120 -4.870 -2.914 -9.461 1.00 2.01 C ATOM 1914 CG2 VAL A 120 -4.287 -0.551 -8.865 1.00 15.02 C ATOM 0 H VAL A 120 -3.838 -1.757 -6.354 1.00 55.21 H new ATOM 0 HA VAL A 120 -2.433 -3.415 -8.339 1.00 24.31 H new ATOM 0 HB VAL A 120 -3.142 -1.850 -10.106 1.00 24.12 H new ATOM 0 HG11 VAL A 120 -5.500 -2.537 -10.267 1.00 2.01 H new ATOM 0 HG12 VAL A 120 -4.453 -3.880 -9.747 1.00 2.01 H new ATOM 0 HG13 VAL A 120 -5.468 -3.030 -8.557 1.00 2.01 H new ATOM 0 HG21 VAL A 120 -4.925 -0.207 -9.679 1.00 15.02 H new ATOM 0 HG22 VAL A 120 -4.869 -0.603 -7.945 1.00 15.02 H new ATOM 0 HG23 VAL A 120 -3.460 0.147 -8.733 1.00 15.02 H new ATOM 1924 N ASP A 121 -1.034 -1.542 -6.707 1.00 5.35 N ATOM 1925 CA ASP A 121 0.087 -0.662 -6.395 1.00 63.32 C ATOM 1926 C ASP A 121 0.671 -0.993 -5.026 1.00 33.44 C ATOM 1927 O ASP A 121 -0.061 -1.116 -4.042 1.00 44.23 O ATOM 1928 CB ASP A 121 -0.358 0.801 -6.434 1.00 13.32 C ATOM 1929 CG ASP A 121 0.456 1.630 -7.410 1.00 12.40 C ATOM 1930 OD1 ASP A 121 0.619 1.192 -8.568 1.00 43.31 O ATOM 1931 OD2 ASP A 121 0.938 2.712 -7.014 1.00 44.11 O ATOM 0 H ASP A 121 -1.266 -2.207 -5.969 1.00 5.35 H new ATOM 0 HA ASP A 121 0.860 -0.818 -7.148 1.00 63.32 H new ATOM 0 HB2 ASP A 121 -1.411 0.850 -6.711 1.00 13.32 H new ATOM 0 HB3 ASP A 121 -0.271 1.231 -5.436 1.00 13.32 H new ATOM 1936 N CYS A 122 1.990 -1.141 -4.969 1.00 22.24 N ATOM 1937 CA CYS A 122 2.673 -1.459 -3.719 1.00 51.22 C ATOM 1938 C CYS A 122 3.937 -0.620 -3.562 1.00 74.15 C ATOM 1939 O CYS A 122 4.998 -0.977 -4.074 1.00 71.42 O ATOM 1940 CB CYS A 122 3.023 -2.946 -3.670 1.00 60.44 C ATOM 1941 SG CYS A 122 3.662 -3.503 -2.072 1.00 60.51 S ATOM 0 H CYS A 122 2.609 -1.046 -5.774 1.00 22.24 H new ATOM 0 HA CYS A 122 1.999 -1.225 -2.895 1.00 51.22 H new ATOM 0 HB2 CYS A 122 2.133 -3.526 -3.915 1.00 60.44 H new ATOM 0 HB3 CYS A 122 3.765 -3.159 -4.440 1.00 60.44 H new ATOM 0 HG CYS A 122 3.032 -4.579 -1.704 1.00 60.51 H new ATOM 1947 N TYR A 123 3.816 0.496 -2.853 1.00 31.21 N ATOM 1948 CA TYR A 123 4.947 1.388 -2.631 1.00 51.05 C ATOM 1949 C TYR A 123 5.164 1.629 -1.142 1.00 72.24 C ATOM 1950 O TYR A 123 4.210 1.657 -0.362 1.00 75.53 O ATOM 1951 CB TYR A 123 4.722 2.718 -3.352 1.00 0.31 C ATOM 1952 CG TYR A 123 5.988 3.521 -3.552 1.00 13.00 C ATOM 1953 CD1 TYR A 123 6.997 3.063 -4.391 1.00 41.15 C ATOM 1954 CD2 TYR A 123 6.173 4.736 -2.901 1.00 2.21 C ATOM 1955 CE1 TYR A 123 8.158 3.791 -4.576 1.00 3.24 C ATOM 1956 CE2 TYR A 123 7.330 5.473 -3.081 1.00 23.33 C ATOM 1957 CZ TYR A 123 8.321 4.995 -3.917 1.00 71.52 C ATOM 1958 OH TYR A 123 9.475 5.719 -4.101 1.00 0.34 O ATOM 0 H TYR A 123 2.945 0.805 -2.422 1.00 31.21 H new ATOM 0 HA TYR A 123 5.840 0.912 -3.035 1.00 51.05 H new ATOM 0 HB2 TYR A 123 4.269 2.523 -4.324 1.00 0.31 H new ATOM 0 HB3 TYR A 123 4.010 3.315 -2.782 1.00 0.31 H new ATOM 0 HD1 TYR A 123 6.872 2.123 -4.907 1.00 41.15 H new ATOM 0 HD2 TYR A 123 5.401 5.110 -2.245 1.00 2.21 H new ATOM 0 HE1 TYR A 123 8.933 3.421 -5.231 1.00 3.24 H new ATOM 0 HE2 TYR A 123 7.458 6.416 -2.571 1.00 23.33 H new ATOM 0 HH TYR A 123 9.434 6.541 -3.569 1.00 0.34 H new ATOM 1968 N THR A 124 6.428 1.776 -0.752 1.00 73.52 N ATOM 1969 CA THR A 124 6.759 2.065 0.640 1.00 31.34 C ATOM 1970 C THR A 124 8.264 2.200 0.798 1.00 62.42 C ATOM 1971 O THR A 124 8.991 1.569 -0.011 1.00 32.31 O ATOM 1972 CB THR A 124 6.274 0.924 1.549 1.00 2.22 C ATOM 1973 OG1 THR A 124 6.824 1.068 2.860 1.00 20.31 O ATOM 1974 CG2 THR A 124 6.675 -0.428 0.975 1.00 43.05 C ATOM 0 H THR A 124 7.233 1.701 -1.374 1.00 73.52 H new ATOM 0 HA THR A 124 6.268 2.996 0.923 1.00 31.34 H new ATOM 0 HB THR A 124 5.187 0.975 1.606 1.00 2.22 H new ATOM 0 HG1 THR A 124 6.507 0.337 3.430 1.00 20.31 H new ATOM 0 HG21 THR A 124 6.322 -1.222 1.633 1.00 43.05 H new ATOM 0 HG22 THR A 124 6.230 -0.551 -0.012 1.00 43.05 H new ATOM 0 HG23 THR A 124 7.761 -0.481 0.892 1.00 43.05 H new ATOM 1982 N GLY A 125 8.667 2.943 1.841 1.00 4.10 N ATOM 1983 CA GLY A 125 10.073 3.169 2.119 1.00 63.31 C ATOM 1984 C GLY A 125 10.847 1.873 2.252 1.00 20.14 C ATOM 1985 O GLY A 125 12.064 1.848 2.081 1.00 4.03 O ATOM 0 H GLY A 125 8.030 3.393 2.499 1.00 4.10 H new ATOM 0 HA2 GLY A 125 10.508 3.769 1.319 1.00 63.31 H new ATOM 0 HA3 GLY A 125 10.171 3.745 3.039 1.00 63.31 H new ATOM 1989 N TRP A 126 10.142 0.790 2.558 1.00 43.12 N ATOM 1990 CA TRP A 126 10.772 -0.515 2.709 1.00 60.33 C ATOM 1991 C TRP A 126 11.633 -0.847 1.495 1.00 0.13 C ATOM 1992 O TRP A 126 12.824 -1.130 1.626 1.00 71.34 O ATOM 1993 CB TRP A 126 9.708 -1.596 2.908 1.00 41.31 C ATOM 1994 CG TRP A 126 9.466 -1.935 4.345 1.00 25.34 C ATOM 1995 CD1 TRP A 126 8.260 -2.008 4.979 1.00 64.41 C ATOM 1996 CD2 TRP A 126 10.459 -2.245 5.331 1.00 53.11 C ATOM 1997 NE1 TRP A 126 8.442 -2.346 6.298 1.00 22.23 N ATOM 1998 CE2 TRP A 126 9.781 -2.494 6.541 1.00 21.41 C ATOM 1999 CE3 TRP A 126 11.854 -2.337 5.308 1.00 12.31 C ATOM 2000 CZ2 TRP A 126 10.454 -2.825 7.711 1.00 21.44 C ATOM 2001 CZ3 TRP A 126 12.522 -2.667 6.472 1.00 2.20 C ATOM 2002 CH2 TRP A 126 11.820 -2.908 7.657 1.00 51.21 C ATOM 0 H TRP A 126 9.133 0.791 2.706 1.00 43.12 H new ATOM 0 HA TRP A 126 11.415 -0.482 3.588 1.00 60.33 H new ATOM 0 HB2 TRP A 126 8.773 -1.262 2.459 1.00 41.31 H new ATOM 0 HB3 TRP A 126 10.013 -2.497 2.376 1.00 41.31 H new ATOM 0 HD1 TRP A 126 7.303 -1.827 4.512 1.00 64.41 H new ATOM 0 HE1 TRP A 126 7.699 -2.467 6.986 1.00 22.23 H new ATOM 0 HE3 TRP A 126 12.401 -2.153 4.395 1.00 12.31 H new ATOM 0 HZ2 TRP A 126 9.919 -3.010 8.630 1.00 21.44 H new ATOM 0 HZ3 TRP A 126 13.600 -2.740 6.466 1.00 2.20 H new ATOM 0 HH2 TRP A 126 12.368 -3.166 8.551 1.00 51.21 H new ATOM 2013 N TYR A 127 11.024 -0.811 0.315 1.00 72.24 N ATOM 2014 CA TYR A 127 11.732 -1.112 -0.922 1.00 64.44 C ATOM 2015 C TYR A 127 11.695 0.078 -1.875 1.00 54.02 C ATOM 2016 O TYR A 127 10.890 0.120 -2.805 1.00 11.13 O ATOM 2017 CB TYR A 127 11.123 -2.341 -1.598 1.00 21.42 C ATOM 2018 CG TYR A 127 10.986 -3.534 -0.680 1.00 65.23 C ATOM 2019 CD1 TYR A 127 12.079 -4.345 -0.396 1.00 44.34 C ATOM 2020 CD2 TYR A 127 9.764 -3.849 -0.098 1.00 3.04 C ATOM 2021 CE1 TYR A 127 11.961 -5.436 0.444 1.00 31.13 C ATOM 2022 CE2 TYR A 127 9.636 -4.939 0.745 1.00 41.43 C ATOM 2023 CZ TYR A 127 10.737 -5.729 1.013 1.00 32.41 C ATOM 2024 OH TYR A 127 10.613 -6.818 1.843 1.00 54.41 O ATOM 0 H TYR A 127 10.039 -0.576 0.190 1.00 72.24 H new ATOM 0 HA TYR A 127 12.772 -1.322 -0.673 1.00 64.44 H new ATOM 0 HB2 TYR A 127 10.140 -2.080 -1.989 1.00 21.42 H new ATOM 0 HB3 TYR A 127 11.742 -2.619 -2.451 1.00 21.42 H new ATOM 0 HD1 TYR A 127 13.037 -4.118 -0.840 1.00 44.34 H new ATOM 0 HD2 TYR A 127 8.901 -3.234 -0.307 1.00 3.04 H new ATOM 0 HE1 TYR A 127 12.820 -6.056 0.654 1.00 31.13 H new ATOM 0 HE2 TYR A 127 8.680 -5.171 1.191 1.00 41.43 H new ATOM 0 HH TYR A 127 11.253 -7.510 1.573 1.00 54.41 H new ATOM 2034 N GLY A 128 12.575 1.047 -1.640 1.00 20.33 N ATOM 2035 CA GLY A 128 12.625 2.228 -2.483 1.00 52.03 C ATOM 2036 C GLY A 128 13.879 3.050 -2.253 1.00 51.32 C ATOM 2037 O GLY A 128 14.948 2.501 -1.988 1.00 24.23 O ATOM 0 H GLY A 128 13.255 1.035 -0.880 1.00 20.33 H new ATOM 0 HA2 GLY A 128 12.578 1.926 -3.529 1.00 52.03 H new ATOM 0 HA3 GLY A 128 11.748 2.846 -2.290 1.00 52.03 H new ATOM 2041 N TYR A 129 13.745 4.369 -2.347 1.00 72.22 N ATOM 2042 CA TYR A 129 14.873 5.270 -2.151 1.00 24.44 C ATOM 2043 C TYR A 129 15.216 5.400 -0.670 1.00 71.22 C ATOM 2044 O TYR A 129 15.000 6.449 -0.066 1.00 0.05 O ATOM 2045 CB TYR A 129 14.562 6.647 -2.739 1.00 12.02 C ATOM 2046 CG TYR A 129 14.752 6.722 -4.236 1.00 15.02 C ATOM 2047 CD1 TYR A 129 14.088 5.843 -5.084 1.00 62.44 C ATOM 2048 CD2 TYR A 129 15.593 7.673 -4.801 1.00 13.43 C ATOM 2049 CE1 TYR A 129 14.259 5.909 -6.455 1.00 33.32 C ATOM 2050 CE2 TYR A 129 15.767 7.749 -6.170 1.00 14.41 C ATOM 2051 CZ TYR A 129 15.098 6.864 -6.993 1.00 43.22 C ATOM 2052 OH TYR A 129 15.268 6.935 -8.354 1.00 15.10 O ATOM 0 H TYR A 129 12.864 4.838 -2.558 1.00 72.22 H new ATOM 0 HA TYR A 129 15.735 4.849 -2.668 1.00 24.44 H new ATOM 0 HB2 TYR A 129 13.532 6.912 -2.498 1.00 12.02 H new ATOM 0 HB3 TYR A 129 15.202 7.389 -2.262 1.00 12.02 H new ATOM 0 HD1 TYR A 129 13.428 5.097 -4.666 1.00 62.44 H new ATOM 0 HD2 TYR A 129 16.119 8.364 -4.160 1.00 13.43 H new ATOM 0 HE1 TYR A 129 13.739 5.217 -7.101 1.00 33.32 H new ATOM 0 HE2 TYR A 129 16.422 8.496 -6.594 1.00 14.41 H new ATOM 0 HH TYR A 129 15.949 7.608 -8.564 1.00 15.10 H new ATOM 2062 N ASP A 130 15.754 4.331 -0.095 1.00 22.40 N ATOM 2063 CA ASP A 130 16.127 4.324 1.315 1.00 15.51 C ATOM 2064 C ASP A 130 17.365 3.466 1.547 1.00 1.20 C ATOM 2065 O ASP A 130 18.266 3.844 2.297 1.00 71.14 O ATOM 2066 CB ASP A 130 14.969 3.810 2.170 1.00 31.44 C ATOM 2067 CG ASP A 130 15.063 4.278 3.611 1.00 45.11 C ATOM 2068 OD1 ASP A 130 15.204 5.500 3.829 1.00 40.32 O ATOM 2069 OD2 ASP A 130 14.993 3.420 4.516 1.00 40.14 O ATOM 0 H ASP A 130 15.942 3.456 -0.584 1.00 22.40 H new ATOM 0 HA ASP A 130 16.357 5.349 1.607 1.00 15.51 H new ATOM 0 HB2 ASP A 130 14.026 4.149 1.741 1.00 31.44 H new ATOM 0 HB3 ASP A 130 14.958 2.720 2.144 1.00 31.44 H new ATOM 2074 N LEU A 131 17.408 2.309 0.895 1.00 32.10 N ATOM 2075 CA LEU A 131 18.536 1.395 1.029 1.00 73.44 C ATOM 2076 C LEU A 131 19.141 1.075 -0.334 1.00 41.24 C ATOM 2077 O LEU A 131 18.491 1.199 -1.373 1.00 44.14 O ATOM 2078 CB LEU A 131 18.092 0.103 1.719 1.00 4.32 C ATOM 2079 CG LEU A 131 17.946 0.174 3.240 1.00 2.33 C ATOM 2080 CD1 LEU A 131 16.557 -0.276 3.664 1.00 13.20 C ATOM 2081 CD2 LEU A 131 19.011 -0.676 3.919 1.00 42.32 C ATOM 0 H LEU A 131 16.673 1.982 0.268 1.00 32.10 H new ATOM 0 HA LEU A 131 19.297 1.882 1.639 1.00 73.44 H new ATOM 0 HB2 LEU A 131 17.135 -0.202 1.295 1.00 4.32 H new ATOM 0 HB3 LEU A 131 18.811 -0.680 1.479 1.00 4.32 H new ATOM 0 HG LEU A 131 18.082 1.210 3.550 1.00 2.33 H new ATOM 0 HD11 LEU A 131 16.471 -0.219 4.749 1.00 13.20 H new ATOM 0 HD12 LEU A 131 15.809 0.372 3.206 1.00 13.20 H new ATOM 0 HD13 LEU A 131 16.393 -1.304 3.341 1.00 13.20 H new ATOM 0 HD21 LEU A 131 18.892 -0.613 5.001 1.00 42.32 H new ATOM 0 HD22 LEU A 131 18.905 -1.713 3.602 1.00 42.32 H new ATOM 0 HD23 LEU A 131 20.000 -0.311 3.641 1.00 42.32 H new ATOM 2093 N PRO A 132 20.413 0.650 -0.333 1.00 74.14 N ATOM 2094 CA PRO A 132 21.131 0.299 -1.560 1.00 62.24 C ATOM 2095 C PRO A 132 20.602 -0.982 -2.196 1.00 73.43 C ATOM 2096 O PRO A 132 19.560 -1.503 -1.797 1.00 14.21 O ATOM 2097 CB PRO A 132 22.572 0.104 -1.086 1.00 54.14 C ATOM 2098 CG PRO A 132 22.452 -0.262 0.355 1.00 54.41 C ATOM 2099 CD PRO A 132 21.247 0.480 0.866 1.00 20.30 C ATOM 0 HA PRO A 132 21.021 1.064 -2.328 1.00 62.24 H new ATOM 0 HB2 PRO A 132 23.072 -0.681 -1.653 1.00 54.14 H new ATOM 0 HB3 PRO A 132 23.158 1.014 -1.216 1.00 54.14 H new ATOM 0 HG2 PRO A 132 22.329 -1.338 0.476 1.00 54.41 H new ATOM 0 HG3 PRO A 132 23.349 0.021 0.907 1.00 54.41 H new ATOM 0 HD2 PRO A 132 20.727 -0.084 1.640 1.00 20.30 H new ATOM 0 HD3 PRO A 132 21.522 1.440 1.303 1.00 20.30 H new ATOM 2107 N ILE A 133 21.329 -1.492 -3.185 1.00 61.33 N ATOM 2108 CA ILE A 133 20.936 -2.715 -3.874 1.00 42.12 C ATOM 2109 C ILE A 133 21.561 -3.941 -3.218 1.00 75.22 C ATOM 2110 O ILE A 133 21.344 -5.071 -3.656 1.00 1.44 O ATOM 2111 CB ILE A 133 21.337 -2.676 -5.360 1.00 75.12 C ATOM 2112 CG1 ILE A 133 20.638 -3.800 -6.128 1.00 72.55 C ATOM 2113 CG2 ILE A 133 22.847 -2.788 -5.506 1.00 63.22 C ATOM 2114 CD1 ILE A 133 20.575 -3.564 -7.622 1.00 12.25 C ATOM 0 H ILE A 133 22.195 -1.076 -3.527 1.00 61.33 H new ATOM 0 HA ILE A 133 19.851 -2.784 -3.802 1.00 42.12 H new ATOM 0 HB ILE A 133 21.021 -1.721 -5.781 1.00 75.12 H new ATOM 0 HG12 ILE A 133 21.160 -4.738 -5.938 1.00 72.55 H new ATOM 0 HG13 ILE A 133 19.625 -3.916 -5.744 1.00 72.55 H new ATOM 0 HG21 ILE A 133 23.114 -2.759 -6.563 1.00 63.22 H new ATOM 0 HG22 ILE A 133 23.325 -1.957 -4.988 1.00 63.22 H new ATOM 0 HG23 ILE A 133 23.186 -3.729 -5.072 1.00 63.22 H new ATOM 0 HD11 ILE A 133 20.067 -4.401 -8.101 1.00 12.25 H new ATOM 0 HD12 ILE A 133 20.027 -2.643 -7.822 1.00 12.25 H new ATOM 0 HD13 ILE A 133 21.586 -3.478 -8.020 1.00 12.25 H new ATOM 2126 N GLY A 134 22.342 -3.713 -2.167 1.00 64.11 N ATOM 2127 CA GLY A 134 22.988 -4.809 -1.468 1.00 1.50 C ATOM 2128 C GLY A 134 22.339 -5.107 -0.132 1.00 71.53 C ATOM 2129 O GLY A 134 22.320 -6.255 0.311 1.00 11.25 O ATOM 0 H GLY A 134 22.539 -2.787 -1.786 1.00 64.11 H new ATOM 0 HA2 GLY A 134 22.956 -5.703 -2.091 1.00 1.50 H new ATOM 0 HA3 GLY A 134 24.039 -4.567 -1.312 1.00 1.50 H new ATOM 2133 N GLU A 135 21.798 -4.075 0.506 1.00 51.32 N ATOM 2134 CA GLU A 135 21.146 -4.233 1.800 1.00 74.33 C ATOM 2135 C GLU A 135 19.746 -4.817 1.634 1.00 71.34 C ATOM 2136 O GLU A 135 19.093 -5.182 2.612 1.00 42.33 O ATOM 2137 CB GLU A 135 21.066 -2.889 2.524 1.00 53.42 C ATOM 2138 CG GLU A 135 22.233 -2.633 3.463 1.00 11.21 C ATOM 2139 CD GLU A 135 22.856 -1.265 3.260 1.00 54.41 C ATOM 2140 OE1 GLU A 135 22.222 -0.259 3.644 1.00 62.21 O ATOM 2141 OE2 GLU A 135 23.977 -1.204 2.716 1.00 23.40 O ATOM 0 H GLU A 135 21.798 -3.120 0.148 1.00 51.32 H new ATOM 0 HA GLU A 135 21.742 -4.923 2.397 1.00 74.33 H new ATOM 0 HB2 GLU A 135 21.024 -2.089 1.784 1.00 53.42 H new ATOM 0 HB3 GLU A 135 20.137 -2.847 3.093 1.00 53.42 H new ATOM 0 HG2 GLU A 135 21.891 -2.723 4.494 1.00 11.21 H new ATOM 0 HG3 GLU A 135 22.992 -3.400 3.311 1.00 11.21 H new ATOM 2148 N LEU A 136 19.289 -4.910 0.389 1.00 3.50 N ATOM 2149 CA LEU A 136 17.968 -5.448 0.094 1.00 75.43 C ATOM 2150 C LEU A 136 17.772 -6.804 0.762 1.00 23.40 C ATOM 2151 O LEU A 136 16.857 -6.986 1.564 1.00 21.30 O ATOM 2152 CB LEU A 136 17.776 -5.579 -1.418 1.00 2.21 C ATOM 2153 CG LEU A 136 16.422 -6.123 -1.875 1.00 3.14 C ATOM 2154 CD1 LEU A 136 15.287 -5.353 -1.223 1.00 54.42 C ATOM 2155 CD2 LEU A 136 16.306 -6.060 -3.391 1.00 5.30 C ATOM 0 H LEU A 136 19.817 -4.618 -0.433 1.00 3.50 H new ATOM 0 HA LEU A 136 17.224 -4.757 0.490 1.00 75.43 H new ATOM 0 HB2 LEU A 136 17.923 -4.598 -1.870 1.00 2.21 H new ATOM 0 HB3 LEU A 136 18.558 -6.230 -1.809 1.00 2.21 H new ATOM 0 HG LEU A 136 16.351 -7.166 -1.566 1.00 3.14 H new ATOM 0 HD11 LEU A 136 14.332 -5.756 -1.562 1.00 54.42 H new ATOM 0 HD12 LEU A 136 15.358 -5.449 -0.140 1.00 54.42 H new ATOM 0 HD13 LEU A 136 15.355 -4.301 -1.499 1.00 54.42 H new ATOM 0 HD21 LEU A 136 15.336 -6.451 -3.698 1.00 5.30 H new ATOM 0 HD22 LEU A 136 16.401 -5.025 -3.720 1.00 5.30 H new ATOM 0 HD23 LEU A 136 17.098 -6.658 -3.842 1.00 5.30 H new ATOM 2167 N LYS A 137 18.640 -7.755 0.429 1.00 53.11 N ATOM 2168 CA LYS A 137 18.566 -9.094 1.000 1.00 23.10 C ATOM 2169 C LYS A 137 18.476 -9.031 2.521 1.00 33.32 C ATOM 2170 O LYS A 137 17.858 -9.892 3.147 1.00 11.33 O ATOM 2171 CB LYS A 137 19.789 -9.916 0.586 1.00 3.41 C ATOM 2172 CG LYS A 137 19.857 -10.195 -0.905 1.00 74.41 C ATOM 2173 CD LYS A 137 20.938 -11.209 -1.237 1.00 64.42 C ATOM 2174 CE LYS A 137 22.287 -10.539 -1.451 1.00 13.04 C ATOM 2175 NZ LYS A 137 23.388 -11.533 -1.558 1.00 24.15 N ATOM 0 H LYS A 137 19.403 -7.622 -0.234 1.00 53.11 H new ATOM 0 HA LYS A 137 17.666 -9.576 0.618 1.00 23.10 H new ATOM 0 HB2 LYS A 137 20.692 -9.387 0.890 1.00 3.41 H new ATOM 0 HB3 LYS A 137 19.779 -10.864 1.124 1.00 3.41 H new ATOM 0 HG2 LYS A 137 18.892 -10.565 -1.250 1.00 74.41 H new ATOM 0 HG3 LYS A 137 20.052 -9.266 -1.441 1.00 74.41 H new ATOM 0 HD2 LYS A 137 21.016 -11.936 -0.429 1.00 64.42 H new ATOM 0 HD3 LYS A 137 20.658 -11.760 -2.135 1.00 64.42 H new ATOM 0 HE2 LYS A 137 22.253 -9.936 -2.358 1.00 13.04 H new ATOM 0 HE3 LYS A 137 22.490 -9.859 -0.623 1.00 13.04 H new ATOM 0 HZ1 LYS A 137 24.291 -11.037 -1.703 1.00 24.15 H new ATOM 0 HZ2 LYS A 137 23.437 -12.092 -0.682 1.00 24.15 H new ATOM 0 HZ3 LYS A 137 23.207 -12.166 -2.363 1.00 24.15 H new ATOM 2189 N GLN A 138 19.095 -8.013 3.109 1.00 61.34 N ATOM 2190 CA GLN A 138 19.079 -7.838 4.556 1.00 60.45 C ATOM 2191 C GLN A 138 17.750 -7.251 5.020 1.00 60.31 C ATOM 2192 O GLN A 138 17.237 -7.610 6.080 1.00 62.44 O ATOM 2193 CB GLN A 138 20.232 -6.934 4.992 1.00 44.44 C ATOM 2194 CG GLN A 138 20.709 -7.199 6.411 1.00 0.12 C ATOM 2195 CD GLN A 138 19.617 -6.995 7.441 1.00 4.45 C ATOM 2196 OE1 GLN A 138 19.195 -5.868 7.697 1.00 72.21 O ATOM 2197 NE2 GLN A 138 19.149 -8.084 8.038 1.00 40.53 N ATOM 0 H GLN A 138 19.615 -7.295 2.604 1.00 61.34 H new ATOM 0 HA GLN A 138 19.200 -8.818 5.018 1.00 60.45 H new ATOM 0 HB2 GLN A 138 21.068 -7.068 4.305 1.00 44.44 H new ATOM 0 HB3 GLN A 138 19.918 -5.893 4.912 1.00 44.44 H new ATOM 0 HG2 GLN A 138 21.082 -8.221 6.480 1.00 0.12 H new ATOM 0 HG3 GLN A 138 21.546 -6.538 6.638 1.00 0.12 H new ATOM 0 HE21 GLN A 138 19.527 -9.000 7.797 1.00 40.53 H new ATOM 0 HE22 GLN A 138 18.412 -8.005 8.738 1.00 40.53 H new ATOM 2206 N THR A 139 17.191 -6.350 4.219 1.00 63.44 N ATOM 2207 CA THR A 139 15.925 -5.711 4.549 1.00 74.23 C ATOM 2208 C THR A 139 14.772 -6.704 4.461 1.00 34.13 C ATOM 2209 O THR A 139 13.881 -6.712 5.310 1.00 11.23 O ATOM 2210 CB THR A 139 15.637 -4.522 3.614 1.00 73.52 C ATOM 2211 OG1 THR A 139 16.665 -3.538 3.746 1.00 12.10 O ATOM 2212 CG2 THR A 139 14.286 -3.900 3.933 1.00 74.42 C ATOM 0 H THR A 139 17.597 -6.046 3.334 1.00 63.44 H new ATOM 0 HA THR A 139 16.010 -5.346 5.572 1.00 74.23 H new ATOM 0 HB THR A 139 15.616 -4.889 2.588 1.00 73.52 H new ATOM 0 HG1 THR A 139 17.514 -3.907 3.426 1.00 12.10 H new ATOM 0 HG21 THR A 139 14.103 -3.062 3.260 1.00 74.42 H new ATOM 0 HG22 THR A 139 13.502 -4.646 3.804 1.00 74.42 H new ATOM 0 HG23 THR A 139 14.283 -3.545 4.964 1.00 74.42 H new ATOM 2220 N ILE A 140 14.794 -7.546 3.433 1.00 3.14 N ATOM 2221 CA ILE A 140 13.749 -8.542 3.238 1.00 72.21 C ATOM 2222 C ILE A 140 13.598 -9.426 4.472 1.00 42.33 C ATOM 2223 O ILE A 140 12.495 -9.855 4.809 1.00 43.13 O ATOM 2224 CB ILE A 140 14.041 -9.429 2.014 1.00 1.11 C ATOM 2225 CG1 ILE A 140 14.139 -8.576 0.747 1.00 15.04 C ATOM 2226 CG2 ILE A 140 12.963 -10.493 1.860 1.00 23.33 C ATOM 2227 CD1 ILE A 140 14.717 -9.319 -0.437 1.00 11.20 C ATOM 0 H ILE A 140 15.525 -7.558 2.722 1.00 3.14 H new ATOM 0 HA ILE A 140 12.819 -7.999 3.068 1.00 72.21 H new ATOM 0 HB ILE A 140 14.998 -9.928 2.168 1.00 1.11 H new ATOM 0 HG12 ILE A 140 13.146 -8.210 0.487 1.00 15.04 H new ATOM 0 HG13 ILE A 140 14.756 -7.702 0.954 1.00 15.04 H new ATOM 0 HG21 ILE A 140 13.184 -11.112 0.990 1.00 23.33 H new ATOM 0 HG22 ILE A 140 12.938 -11.118 2.753 1.00 23.33 H new ATOM 0 HG23 ILE A 140 11.994 -10.012 1.726 1.00 23.33 H new ATOM 0 HD11 ILE A 140 14.757 -8.654 -1.300 1.00 11.20 H new ATOM 0 HD12 ILE A 140 15.723 -9.661 -0.196 1.00 11.20 H new ATOM 0 HD13 ILE A 140 14.088 -10.178 -0.670 1.00 11.20 H new ATOM 2239 N GLN A 141 14.715 -9.697 5.140 1.00 71.13 N ATOM 2240 CA GLN A 141 14.705 -10.528 6.337 1.00 62.52 C ATOM 2241 C GLN A 141 14.092 -9.780 7.515 1.00 21.10 C ATOM 2242 O GLN A 141 13.637 -10.392 8.479 1.00 4.30 O ATOM 2243 CB GLN A 141 16.125 -10.975 6.686 1.00 1.01 C ATOM 2244 CG GLN A 141 16.915 -11.472 5.489 1.00 62.35 C ATOM 2245 CD GLN A 141 17.538 -12.829 5.716 1.00 0.32 C ATOM 2246 OE1 GLN A 141 18.277 -13.033 6.678 1.00 11.50 O ATOM 2247 NE2 GLN A 141 17.243 -13.770 4.829 1.00 3.52 N ATOM 0 H GLN A 141 15.637 -9.353 4.872 1.00 71.13 H new ATOM 0 HA GLN A 141 14.095 -11.407 6.131 1.00 62.52 H new ATOM 0 HB2 GLN A 141 16.658 -10.141 7.142 1.00 1.01 H new ATOM 0 HB3 GLN A 141 16.075 -11.768 7.433 1.00 1.01 H new ATOM 0 HG2 GLN A 141 16.257 -11.521 4.621 1.00 62.35 H new ATOM 0 HG3 GLN A 141 17.700 -10.753 5.254 1.00 62.35 H new ATOM 0 HE21 GLN A 141 16.625 -13.557 4.046 1.00 3.52 H new ATOM 0 HE22 GLN A 141 17.634 -14.707 4.930 1.00 3.52 H new ATOM 2256 N ASN A 142 14.080 -8.454 7.430 1.00 63.53 N ATOM 2257 CA ASN A 142 13.521 -7.622 8.488 1.00 21.53 C ATOM 2258 C ASN A 142 12.007 -7.508 8.346 1.00 15.24 C ATOM 2259 O ASN A 142 11.287 -7.403 9.339 1.00 35.21 O ATOM 2260 CB ASN A 142 14.156 -6.231 8.460 1.00 5.23 C ATOM 2261 CG ASN A 142 15.479 -6.185 9.200 1.00 60.12 C ATOM 2262 OD1 ASN A 142 15.523 -5.958 10.408 1.00 41.23 O ATOM 2263 ND2 ASN A 142 16.569 -6.412 8.480 1.00 31.51 N ATOM 0 H ASN A 142 14.452 -7.932 6.637 1.00 63.53 H new ATOM 0 HA ASN A 142 13.743 -8.094 9.445 1.00 21.53 H new ATOM 0 HB2 ASN A 142 14.311 -5.926 7.425 1.00 5.23 H new ATOM 0 HB3 ASN A 142 13.469 -5.512 8.905 1.00 5.23 H new ATOM 0 HD21 ASN A 142 17.486 -6.402 8.926 1.00 31.51 H new ATOM 0 HD22 ASN A 142 16.490 -6.596 7.480 1.00 31.51 H new ATOM 2270 N VAL A 143 11.527 -7.537 7.106 1.00 64.45 N ATOM 2271 CA VAL A 143 10.098 -7.427 6.834 1.00 25.43 C ATOM 2272 C VAL A 143 9.338 -8.592 7.453 1.00 13.11 C ATOM 2273 O VAL A 143 8.277 -8.410 8.049 1.00 35.23 O ATOM 2274 CB VAL A 143 9.818 -7.384 5.322 1.00 64.32 C ATOM 2275 CG1 VAL A 143 8.321 -7.326 5.058 1.00 31.24 C ATOM 2276 CG2 VAL A 143 10.527 -6.200 4.680 1.00 72.14 C ATOM 0 H VAL A 143 12.108 -7.636 6.273 1.00 64.45 H new ATOM 0 HA VAL A 143 9.755 -6.494 7.282 1.00 25.43 H new ATOM 0 HB VAL A 143 10.208 -8.297 4.873 1.00 64.32 H new ATOM 0 HG11 VAL A 143 8.142 -7.296 3.983 1.00 31.24 H new ATOM 0 HG12 VAL A 143 7.842 -8.209 5.481 1.00 31.24 H new ATOM 0 HG13 VAL A 143 7.904 -6.431 5.520 1.00 31.24 H new ATOM 0 HG21 VAL A 143 10.317 -6.186 3.611 1.00 72.14 H new ATOM 0 HG22 VAL A 143 10.171 -5.274 5.132 1.00 72.14 H new ATOM 0 HG23 VAL A 143 11.602 -6.290 4.838 1.00 72.14 H new ATOM 2286 N LYS A 144 9.884 -9.794 7.301 1.00 13.25 N ATOM 2287 CA LYS A 144 9.259 -10.992 7.846 1.00 54.05 C ATOM 2288 C LYS A 144 8.993 -10.838 9.340 1.00 3.12 C ATOM 2289 O LYS A 144 7.941 -11.240 9.834 1.00 34.13 O ATOM 2290 CB LYS A 144 10.150 -12.209 7.597 1.00 42.14 C ATOM 2291 CG LYS A 144 10.065 -12.749 6.179 1.00 14.41 C ATOM 2292 CD LYS A 144 11.356 -13.437 5.766 1.00 2.42 C ATOM 2293 CE LYS A 144 11.957 -12.791 4.526 1.00 24.23 C ATOM 2294 NZ LYS A 144 12.494 -13.803 3.578 1.00 24.20 N ATOM 0 H LYS A 144 10.759 -9.964 6.804 1.00 13.25 H new ATOM 0 HA LYS A 144 8.304 -11.137 7.341 1.00 54.05 H new ATOM 0 HB2 LYS A 144 11.184 -11.941 7.813 1.00 42.14 H new ATOM 0 HB3 LYS A 144 9.873 -13.000 8.295 1.00 42.14 H new ATOM 0 HG2 LYS A 144 9.237 -13.454 6.106 1.00 14.41 H new ATOM 0 HG3 LYS A 144 9.850 -11.932 5.490 1.00 14.41 H new ATOM 0 HD2 LYS A 144 12.073 -13.391 6.586 1.00 2.42 H new ATOM 0 HD3 LYS A 144 11.162 -14.492 5.571 1.00 2.42 H new ATOM 0 HE2 LYS A 144 11.197 -12.191 4.025 1.00 24.23 H new ATOM 0 HE3 LYS A 144 12.756 -12.111 4.822 1.00 24.23 H new ATOM 0 HZ1 LYS A 144 12.894 -13.322 2.747 1.00 24.20 H new ATOM 0 HZ2 LYS A 144 13.237 -14.359 4.048 1.00 24.20 H new ATOM 0 HZ3 LYS A 144 11.727 -14.437 3.275 1.00 24.20 H new ATOM 2308 N GLU A 145 9.952 -10.251 10.050 1.00 54.35 N ATOM 2309 CA GLU A 145 9.819 -10.043 11.485 1.00 24.20 C ATOM 2310 C GLU A 145 8.649 -9.115 11.794 1.00 2.42 C ATOM 2311 O GLU A 145 7.815 -9.418 12.649 1.00 42.55 O ATOM 2312 CB GLU A 145 11.110 -9.462 12.059 1.00 3.25 C ATOM 2313 CG GLU A 145 12.285 -10.422 12.018 1.00 22.22 C ATOM 2314 CD GLU A 145 13.287 -10.174 13.131 1.00 61.44 C ATOM 2315 OE1 GLU A 145 13.214 -9.104 13.767 1.00 14.44 O ATOM 2316 OE2 GLU A 145 14.148 -11.050 13.363 1.00 42.31 O ATOM 0 H GLU A 145 10.829 -9.912 9.654 1.00 54.35 H new ATOM 0 HA GLU A 145 9.626 -11.010 11.950 1.00 24.20 H new ATOM 0 HB2 GLU A 145 11.370 -8.560 11.504 1.00 3.25 H new ATOM 0 HB3 GLU A 145 10.934 -9.161 13.092 1.00 3.25 H new ATOM 0 HG2 GLU A 145 11.915 -11.445 12.090 1.00 22.22 H new ATOM 0 HG3 GLU A 145 12.788 -10.332 11.055 1.00 22.22 H new ATOM 2323 N GLU A 146 8.589 -7.989 11.087 1.00 20.54 N ATOM 2324 CA GLU A 146 7.522 -7.016 11.286 1.00 3.13 C ATOM 2325 C GLU A 146 6.158 -7.654 11.047 1.00 41.12 C ATOM 2326 O GLU A 146 5.224 -7.448 11.818 1.00 34.24 O ATOM 2327 CB GLU A 146 7.710 -5.820 10.351 1.00 13.41 C ATOM 2328 CG GLU A 146 8.710 -4.797 10.863 1.00 3.01 C ATOM 2329 CD GLU A 146 8.150 -3.385 10.881 1.00 51.03 C ATOM 2330 OE1 GLU A 146 6.940 -3.228 11.153 1.00 44.21 O ATOM 2331 OE2 GLU A 146 8.922 -2.439 10.614 1.00 73.53 O ATOM 0 H GLU A 146 9.268 -7.729 10.371 1.00 20.54 H new ATOM 0 HA GLU A 146 7.567 -6.669 12.318 1.00 3.13 H new ATOM 0 HB2 GLU A 146 8.039 -6.180 9.376 1.00 13.41 H new ATOM 0 HB3 GLU A 146 6.747 -5.331 10.202 1.00 13.41 H new ATOM 0 HG2 GLU A 146 9.021 -5.073 11.871 1.00 3.01 H new ATOM 0 HG3 GLU A 146 9.601 -4.822 10.236 1.00 3.01 H new ATOM 2338 N ASN A 147 6.055 -8.444 9.985 1.00 54.25 N ATOM 2339 CA ASN A 147 4.803 -9.109 9.643 1.00 2.01 C ATOM 2340 C ASN A 147 4.387 -10.080 10.743 1.00 14.31 C ATOM 2341 O ASN A 147 3.207 -10.192 11.071 1.00 62.11 O ATOM 2342 CB ASN A 147 4.946 -9.857 8.316 1.00 1.22 C ATOM 2343 CG ASN A 147 5.129 -8.918 7.139 1.00 21.13 C ATOM 2344 OD1 ASN A 147 4.942 -7.708 7.259 1.00 44.21 O ATOM 2345 ND2 ASN A 147 5.495 -9.472 5.992 1.00 45.04 N ATOM 0 H ASN A 147 6.824 -8.640 9.345 1.00 54.25 H new ATOM 0 HA ASN A 147 4.030 -8.347 9.542 1.00 2.01 H new ATOM 0 HB2 ASN A 147 5.799 -10.533 8.374 1.00 1.22 H new ATOM 0 HB3 ASN A 147 4.062 -10.473 8.152 1.00 1.22 H new ATOM 0 HD21 ASN A 147 5.632 -8.890 5.165 1.00 45.04 H new ATOM 0 HD22 ASN A 147 5.640 -10.480 5.936 1.00 45.04 H new ATOM 2352 N ALA A 148 5.362 -10.788 11.304 1.00 43.12 N ATOM 2353 CA ALA A 148 5.099 -11.746 12.369 1.00 43.11 C ATOM 2354 C ALA A 148 4.289 -11.109 13.492 1.00 61.31 C ATOM 2355 O ALA A 148 3.239 -11.625 13.874 1.00 20.44 O ATOM 2356 CB ALA A 148 6.405 -12.305 12.912 1.00 24.14 C ATOM 0 H ALA A 148 6.344 -10.715 11.037 1.00 43.12 H new ATOM 0 HA ALA A 148 4.513 -12.564 11.950 1.00 43.11 H new ATOM 0 HB1 ALA A 148 6.192 -13.019 13.707 1.00 24.14 H new ATOM 0 HB2 ALA A 148 6.948 -12.805 12.110 1.00 24.14 H new ATOM 0 HB3 ALA A 148 7.012 -11.491 13.308 1.00 24.14 H new ATOM 2362 N ALA A 149 4.785 -9.989 14.014 1.00 31.22 N ATOM 2363 CA ALA A 149 4.089 -9.297 15.088 1.00 33.50 C ATOM 2364 C ALA A 149 2.640 -9.005 14.723 1.00 4.35 C ATOM 2365 O ALA A 149 1.758 -9.007 15.583 1.00 44.11 O ATOM 2366 CB ALA A 149 4.808 -8.020 15.406 1.00 53.53 C ATOM 0 H ALA A 149 5.655 -9.549 13.713 1.00 31.22 H new ATOM 0 HA ALA A 149 4.082 -9.946 15.964 1.00 33.50 H new ATOM 0 HB1 ALA A 149 4.288 -7.500 16.211 1.00 53.53 H new ATOM 0 HB2 ALA A 149 5.828 -8.245 15.719 1.00 53.53 H new ATOM 0 HB3 ALA A 149 4.832 -7.386 14.520 1.00 53.53 H new ATOM 2372 N PHE A 150 2.403 -8.755 13.442 1.00 2.44 N ATOM 2373 CA PHE A 150 1.052 -8.457 12.963 1.00 42.32 C ATOM 2374 C PHE A 150 0.200 -9.721 12.928 1.00 54.35 C ATOM 2375 O PHE A 150 -0.794 -9.834 13.646 1.00 43.01 O ATOM 2376 CB PHE A 150 1.106 -7.826 11.569 1.00 42.03 C ATOM 2377 CG PHE A 150 -0.243 -7.666 10.928 1.00 15.33 C ATOM 2378 CD1 PHE A 150 -0.792 -8.689 10.170 1.00 22.14 C ATOM 2379 CD2 PHE A 150 -0.964 -6.492 11.086 1.00 52.03 C ATOM 2380 CE1 PHE A 150 -2.035 -8.545 9.580 1.00 43.12 C ATOM 2381 CE2 PHE A 150 -2.208 -6.341 10.498 1.00 63.41 C ATOM 2382 CZ PHE A 150 -2.743 -7.369 9.742 1.00 5.52 C ATOM 0 H PHE A 150 3.121 -8.752 12.717 1.00 2.44 H new ATOM 0 HA PHE A 150 0.596 -7.749 13.655 1.00 42.32 H new ATOM 0 HB2 PHE A 150 1.583 -6.849 11.640 1.00 42.03 H new ATOM 0 HB3 PHE A 150 1.734 -8.441 10.925 1.00 42.03 H new ATOM 0 HD1 PHE A 150 -0.243 -9.609 10.039 1.00 22.14 H new ATOM 0 HD2 PHE A 150 -0.550 -5.686 11.674 1.00 52.03 H new ATOM 0 HE1 PHE A 150 -2.452 -9.351 8.994 1.00 43.12 H new ATOM 0 HE2 PHE A 150 -2.760 -5.422 10.629 1.00 63.41 H new ATOM 0 HZ PHE A 150 -3.712 -7.253 9.279 1.00 5.52 H new ATOM 2392 N LYS A 151 0.598 -10.672 12.089 1.00 72.14 N ATOM 2393 CA LYS A 151 -0.124 -11.931 11.957 1.00 4.12 C ATOM 2394 C LYS A 151 -0.335 -12.578 13.322 1.00 53.11 C ATOM 2395 O LYS A 151 -1.319 -13.282 13.538 1.00 25.33 O ATOM 2396 CB LYS A 151 0.639 -12.884 11.036 1.00 1.02 C ATOM 2397 CG LYS A 151 1.826 -13.555 11.705 1.00 33.41 C ATOM 2398 CD LYS A 151 2.494 -14.558 10.780 1.00 31.42 C ATOM 2399 CE LYS A 151 3.300 -13.867 9.691 1.00 74.11 C ATOM 2400 NZ LYS A 151 4.652 -14.469 9.536 1.00 41.41 N ATOM 0 H LYS A 151 1.419 -10.593 11.489 1.00 72.14 H new ATOM 0 HA LYS A 151 -1.100 -11.722 11.520 1.00 4.12 H new ATOM 0 HB2 LYS A 151 -0.045 -13.651 10.674 1.00 1.02 H new ATOM 0 HB3 LYS A 151 0.989 -12.331 10.164 1.00 1.02 H new ATOM 0 HG2 LYS A 151 2.550 -12.798 12.007 1.00 33.41 H new ATOM 0 HG3 LYS A 151 1.496 -14.060 12.613 1.00 33.41 H new ATOM 0 HD2 LYS A 151 3.148 -15.209 11.360 1.00 31.42 H new ATOM 0 HD3 LYS A 151 1.735 -15.194 10.324 1.00 31.42 H new ATOM 0 HE2 LYS A 151 2.763 -13.932 8.745 1.00 74.11 H new ATOM 0 HE3 LYS A 151 3.399 -12.808 9.929 1.00 74.11 H new ATOM 0 HZ1 LYS A 151 5.170 -13.970 8.784 1.00 41.41 H new ATOM 0 HZ2 LYS A 151 5.174 -14.384 10.431 1.00 41.41 H new ATOM 0 HZ3 LYS A 151 4.558 -15.474 9.284 1.00 41.41 H new ATOM 2414 N GLU A 152 0.599 -12.344 14.237 1.00 1.33 N ATOM 2415 CA GLU A 152 0.514 -12.904 15.579 1.00 3.00 C ATOM 2416 C GLU A 152 -0.838 -12.593 16.213 1.00 11.42 C ATOM 2417 O GLU A 152 -1.532 -13.489 16.693 1.00 12.30 O ATOM 2418 CB GLU A 152 1.643 -12.359 16.456 1.00 52.05 C ATOM 2419 CG GLU A 152 1.556 -12.807 17.906 1.00 61.41 C ATOM 2420 CD GLU A 152 2.627 -12.176 18.777 1.00 61.31 C ATOM 2421 OE1 GLU A 152 3.455 -11.411 18.240 1.00 64.34 O ATOM 2422 OE2 GLU A 152 2.629 -12.444 19.997 1.00 4.15 O ATOM 0 H GLU A 152 1.425 -11.769 14.073 1.00 1.33 H new ATOM 0 HA GLU A 152 0.617 -13.986 15.502 1.00 3.00 H new ATOM 0 HB2 GLU A 152 2.600 -12.678 16.042 1.00 52.05 H new ATOM 0 HB3 GLU A 152 1.627 -11.270 16.419 1.00 52.05 H new ATOM 0 HG2 GLU A 152 0.573 -12.552 18.303 1.00 61.41 H new ATOM 0 HG3 GLU A 152 1.647 -13.892 17.953 1.00 61.41 H new ATOM 2429 N ILE A 153 -1.205 -11.316 16.214 1.00 71.54 N ATOM 2430 CA ILE A 153 -2.471 -10.886 16.790 1.00 54.14 C ATOM 2431 C ILE A 153 -3.599 -10.992 15.771 1.00 40.02 C ATOM 2432 O ILE A 153 -4.673 -11.508 16.076 1.00 14.02 O ATOM 2433 CB ILE A 153 -2.392 -9.437 17.302 1.00 43.01 C ATOM 2434 CG1 ILE A 153 -1.138 -9.249 18.159 1.00 74.15 C ATOM 2435 CG2 ILE A 153 -3.643 -9.085 18.095 1.00 64.21 C ATOM 2436 CD1 ILE A 153 -0.977 -7.838 18.689 1.00 53.14 C ATOM 0 H ILE A 153 -0.642 -10.561 15.822 1.00 71.54 H new ATOM 0 HA ILE A 153 -2.679 -11.548 17.630 1.00 54.14 H new ATOM 0 HB ILE A 153 -2.331 -8.765 16.446 1.00 43.01 H new ATOM 0 HG12 ILE A 153 -1.174 -9.943 18.999 1.00 74.15 H new ATOM 0 HG13 ILE A 153 -0.260 -9.509 17.567 1.00 74.15 H new ATOM 0 HG21 ILE A 153 -3.571 -8.057 18.450 1.00 64.21 H new ATOM 0 HG22 ILE A 153 -4.520 -9.188 17.456 1.00 64.21 H new ATOM 0 HG23 ILE A 153 -3.735 -9.758 18.948 1.00 64.21 H new ATOM 0 HD11 ILE A 153 -0.068 -7.776 19.288 1.00 53.14 H new ATOM 0 HD12 ILE A 153 -0.910 -7.141 17.854 1.00 53.14 H new ATOM 0 HD13 ILE A 153 -1.837 -7.581 19.307 1.00 53.14 H new ATOM 2448 N HIS A 154 -3.351 -10.498 14.562 1.00 13.55 N ATOM 2449 CA HIS A 154 -4.346 -10.537 13.497 1.00 62.31 C ATOM 2450 C HIS A 154 -3.861 -11.398 12.334 1.00 74.22 C ATOM 2451 O HIS A 154 -3.513 -10.898 11.264 1.00 21.12 O ATOM 2452 CB HIS A 154 -4.657 -9.122 13.009 1.00 34.45 C ATOM 2453 CG HIS A 154 -5.838 -8.498 13.688 1.00 43.53 C ATOM 2454 ND1 HIS A 154 -6.441 -7.343 13.238 1.00 31.53 N ATOM 2455 CD2 HIS A 154 -6.527 -8.880 14.789 1.00 14.41 C ATOM 2456 CE1 HIS A 154 -7.451 -7.041 14.036 1.00 0.34 C ATOM 2457 NE2 HIS A 154 -7.530 -7.957 14.986 1.00 31.52 N ATOM 0 H HIS A 154 -2.467 -10.065 14.295 1.00 13.55 H new ATOM 0 HA HIS A 154 -5.257 -10.981 13.898 1.00 62.31 H new ATOM 0 HB2 HIS A 154 -3.782 -8.492 13.168 1.00 34.45 H new ATOM 0 HB3 HIS A 154 -4.839 -9.149 11.935 1.00 34.45 H new ATOM 0 HD2 HIS A 154 -6.327 -9.748 15.400 1.00 14.41 H new ATOM 0 HE1 HIS A 154 -8.104 -6.187 13.929 1.00 0.34 H new ATOM 0 HE2 HIS A 154 -8.218 -7.977 15.739 1.00 31.52 H new ATOM 2465 N PRO A 155 -3.833 -12.722 12.547 1.00 1.20 N ATOM 2466 CA PRO A 155 -3.392 -13.679 11.530 1.00 2.35 C ATOM 2467 C PRO A 155 -4.381 -13.783 10.377 1.00 13.01 C ATOM 2468 O PRO A 155 -5.365 -14.525 10.458 1.00 24.32 O ATOM 2469 CB PRO A 155 -3.313 -15.003 12.291 1.00 72.24 C ATOM 2470 CG PRO A 155 -4.271 -14.843 13.424 1.00 40.25 C ATOM 2471 CD PRO A 155 -4.228 -13.387 13.798 1.00 43.23 C ATOM 0 HA PRO A 155 -2.447 -13.384 11.073 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -3.589 -15.843 11.654 1.00 72.24 H new ATOM 0 HB3 PRO A 155 -2.302 -15.194 12.651 1.00 72.24 H new ATOM 0 HG2 PRO A 155 -5.277 -15.141 13.130 1.00 40.25 H new ATOM 0 HG3 PRO A 155 -3.986 -15.472 14.268 1.00 40.25 H new ATOM 0 HD2 PRO A 155 -5.197 -13.035 14.151 1.00 43.23 H new ATOM 0 HD3 PRO A 155 -3.510 -13.199 14.596 1.00 43.23 H new TER 2479 PRO A 155