USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1045 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 94 LYS NZ :NH3+ 154:sc= 1.01 (180deg=-0.511) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.477 K(o=1.5,f=-5!) USER MOD Set 2.1: A 46 ASN :FLIP amide:sc= -0.792 F(o=-10,f=-7.9) USER MOD Set 2.2: A 89 ASN : amide:sc= -7.12! C(o=-7.9!,f=-13!) USER MOD Set 3.1: A 38 ASN : amide:sc= -0.502! X(o=-0.54!,f=-0.18) USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= -0.0405 USER MOD Set 4.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= 0.621 USER MOD Set 4.3: A 77 SER OG : rot 5:sc= 1.13 USER MOD Set 4.4: A 81 GLN :FLIP amide:sc= -0.23! F(o=-0.012,f=1.5!) USER MOD Set 5.1: A 18 THR OG1 : rot -84:sc= -0.256! USER MOD Set 5.2: A 65 SER OG : rot -46:sc= 0.43 USER MOD Set 6.1: A 16 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.48) USER MOD Set 6.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0195 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 3 MET CE :methyl 166:sc= -0.324 (180deg=-0.77) USER MOD Single : A 4 GLN :FLIP amide:sc=-0.000248 F(o=-1.1,f=-0.00025) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.316 (180deg=-0.771) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.454 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.139 X(o=0.14,f=-0.32) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.24 F(o=-5.3!,f=-2.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.67! C(o=-4.7!,f=-6.1!) USER MOD Single : A 30 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 40 ASN : amide:sc= -0.502 K(o=-0.5,f=-5.2!) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.5! (180deg=-1.54!) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 0.46 (180deg=0.188) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.12 K(o=-2.1,f=-3.2!) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00217) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0311) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 0.947 (180deg=0.664) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -9.05! C(o=-11!,f=-9.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.631 (180deg=0.595) USER MOD Single : A 73 SER OG : rot 85:sc= 1.23 USER MOD Single : A 74 LYS NZ :NH3+ -138:sc= -0.0659 (180deg=-0.258) USER MOD Single : A 75 TYR OH : rot 165:sc= -0.894 USER MOD Single : A 80 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= -2! (180deg=-2.19!) USER MOD Single : A 86 GLN :FLIP amide:sc= -1.12 F(o=-2!,f=-1.1) USER MOD Single : A 91 GLN : amide:sc= 0.0187 K(o=0.019,f=-11!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -161:sc= 0.871 (180deg=0.609) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.641) USER MOD Single : A 115 THR OG1 : rot -147:sc= -0.0323 USER MOD Single : A 118 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0334) USER MOD Single : A 119 THR OG1 : rot -72:sc= -0.319! USER MOD Single : A 121 ASN : amide:sc= -5.3! C(o=-5.3!,f=-9.1!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.439 3.890 13.298 1.00 22.48 N ATOM 2 CA GLY A 1 -40.540 3.198 12.589 1.00 22.34 C ATOM 3 C GLY A 1 -40.509 3.463 11.100 1.00 22.10 C ATOM 4 O GLY A 1 -39.433 3.585 10.510 1.00 22.12 O ATOM 0 H1 GLY A 1 -39.009 3.242 13.988 1.00 22.48 H new ATOM 0 H2 GLY A 1 -38.719 4.192 12.611 1.00 22.48 H new ATOM 0 H3 GLY A 1 -39.815 4.723 13.794 1.00 22.48 H new ATOM 0 HA2 GLY A 1 -40.469 2.125 12.768 1.00 22.34 H new ATOM 0 HA3 GLY A 1 -41.496 3.526 12.996 1.00 22.34 H new ATOM 10 N HIS A 2 -41.695 3.548 10.498 1.00 21.98 N ATOM 11 CA HIS A 2 -41.847 3.823 9.069 1.00 21.88 C ATOM 12 C HIS A 2 -41.137 2.771 8.222 1.00 21.50 C ATOM 13 O HIS A 2 -40.592 3.071 7.157 1.00 21.64 O ATOM 14 CB HIS A 2 -41.333 5.226 8.719 1.00 22.32 C ATOM 15 CG HIS A 2 -42.090 6.330 9.394 1.00 22.67 C ATOM 16 ND1 HIS A 2 -41.497 7.239 10.243 1.00 22.91 N ATOM 17 CD2 HIS A 2 -43.399 6.675 9.335 1.00 22.94 C ATOM 18 CE1 HIS A 2 -42.405 8.093 10.675 1.00 23.31 C ATOM 19 NE2 HIS A 2 -43.567 7.774 10.138 1.00 23.33 N ATOM 0 H HIS A 2 -42.581 3.428 10.989 1.00 21.98 H new ATOM 0 HA HIS A 2 -42.912 3.780 8.841 1.00 21.88 H new ATOM 0 HB2 HIS A 2 -40.281 5.297 8.995 1.00 22.32 H new ATOM 0 HB3 HIS A 2 -41.390 5.365 7.639 1.00 22.32 H new ATOM 0 HD2 HIS A 2 -44.167 6.177 8.762 1.00 22.94 H new ATOM 0 HE1 HIS A 2 -42.227 8.914 11.353 1.00 23.31 H new ATOM 0 HE2 HIS A 2 -44.447 8.265 10.295 1.00 23.33 H new ATOM 28 N MET A 3 -41.145 1.536 8.702 1.00 21.13 N ATOM 29 CA MET A 3 -40.562 0.427 7.962 1.00 20.87 C ATOM 30 C MET A 3 -41.662 -0.466 7.409 1.00 20.26 C ATOM 31 O MET A 3 -41.416 -1.601 7.003 1.00 20.24 O ATOM 32 CB MET A 3 -39.613 -0.394 8.843 1.00 21.09 C ATOM 33 CG MET A 3 -38.375 0.370 9.288 1.00 21.38 C ATOM 34 SD MET A 3 -37.243 -0.643 10.267 1.00 21.89 S ATOM 35 CE MET A 3 -36.810 -1.917 9.084 1.00 22.11 C ATOM 0 H MET A 3 -41.549 1.277 9.602 1.00 21.13 H new ATOM 0 HA MET A 3 -39.983 0.841 7.136 1.00 20.87 H new ATOM 0 HB2 MET A 3 -40.155 -0.735 9.725 1.00 21.09 H new ATOM 0 HB3 MET A 3 -39.302 -1.284 8.296 1.00 21.09 H new ATOM 0 HG2 MET A 3 -37.851 0.747 8.410 1.00 21.38 H new ATOM 0 HG3 MET A 3 -38.680 1.237 9.874 1.00 21.38 H new ATOM 0 HE1 MET A 3 -35.942 -2.468 9.445 1.00 22.11 H new ATOM 0 HE2 MET A 3 -37.650 -2.601 8.963 1.00 22.11 H new ATOM 0 HE3 MET A 3 -36.575 -1.457 8.124 1.00 22.11 H new ATOM 45 N GLN A 4 -42.879 0.079 7.409 1.00 19.88 N ATOM 46 CA GLN A 4 -44.066 -0.618 6.926 1.00 19.37 C ATOM 47 C GLN A 4 -44.316 -1.894 7.724 1.00 18.69 C ATOM 48 O GLN A 4 -43.858 -2.976 7.353 1.00 18.61 O ATOM 49 CB GLN A 4 -43.947 -0.928 5.430 1.00 19.44 C ATOM 50 CG GLN A 4 -45.217 -1.512 4.827 1.00 19.70 C ATOM 51 CD GLN A 4 -45.095 -1.766 3.336 1.00 20.20 C ATOM 52 OE1 GLN A 4 -44.322 -0.937 2.652 1.00 20.59 O flip ATOM 53 NE2 GLN A 4 -45.703 -2.696 2.804 1.00 20.31 N flip ATOM 0 H GLN A 4 -43.067 1.023 7.747 1.00 19.88 H new ATOM 0 HA GLN A 4 -44.922 0.042 7.070 1.00 19.37 H new ATOM 0 HB2 GLN A 4 -43.689 -0.013 4.897 1.00 19.44 H new ATOM 0 HB3 GLN A 4 -43.126 -1.629 5.277 1.00 19.44 H new ATOM 0 HG2 GLN A 4 -45.457 -2.448 5.332 1.00 19.70 H new ATOM 0 HG3 GLN A 4 -46.047 -0.830 5.008 1.00 19.70 H new ATOM 0 HE21 GLN A 4 -46.288 -3.312 3.368 1.00 20.31 H new ATOM 0 HE22 GLN A 4 -45.621 -2.850 1.799 1.00 20.31 H new ATOM 62 N VAL A 5 -45.034 -1.751 8.829 1.00 18.32 N ATOM 63 CA VAL A 5 -45.387 -2.886 9.666 1.00 17.78 C ATOM 64 C VAL A 5 -46.430 -3.754 8.970 1.00 17.06 C ATOM 65 O VAL A 5 -47.627 -3.448 8.982 1.00 16.99 O ATOM 66 CB VAL A 5 -45.929 -2.434 11.038 1.00 18.09 C ATOM 67 CG1 VAL A 5 -46.268 -3.635 11.908 1.00 18.26 C ATOM 68 CG2 VAL A 5 -44.925 -1.533 11.741 1.00 18.37 C ATOM 0 H VAL A 5 -45.384 -0.855 9.167 1.00 18.32 H new ATOM 0 HA VAL A 5 -44.478 -3.465 9.830 1.00 17.78 H new ATOM 0 HB VAL A 5 -46.844 -1.865 10.870 1.00 18.09 H new ATOM 0 HG11 VAL A 5 -46.648 -3.292 12.870 1.00 18.26 H new ATOM 0 HG12 VAL A 5 -47.027 -4.240 11.413 1.00 18.26 H new ATOM 0 HG13 VAL A 5 -45.372 -4.235 12.065 1.00 18.26 H new ATOM 0 HG21 VAL A 5 -45.326 -1.225 12.707 1.00 18.37 H new ATOM 0 HG22 VAL A 5 -43.992 -2.076 11.892 1.00 18.37 H new ATOM 0 HG23 VAL A 5 -44.736 -0.651 11.129 1.00 18.37 H new ATOM 78 N ALA A 6 -45.967 -4.822 8.349 1.00 16.65 N ATOM 79 CA ALA A 6 -46.839 -5.735 7.637 1.00 16.09 C ATOM 80 C ALA A 6 -46.560 -7.166 8.073 1.00 15.56 C ATOM 81 O ALA A 6 -46.048 -7.393 9.170 1.00 15.23 O ATOM 82 CB ALA A 6 -46.649 -5.575 6.136 1.00 16.02 C ATOM 0 H ALA A 6 -44.980 -5.080 8.324 1.00 16.65 H new ATOM 0 HA ALA A 6 -47.877 -5.501 7.875 1.00 16.09 H new ATOM 0 HB1 ALA A 6 -47.309 -6.265 5.610 1.00 16.02 H new ATOM 0 HB2 ALA A 6 -46.889 -4.552 5.846 1.00 16.02 H new ATOM 0 HB3 ALA A 6 -45.613 -5.793 5.875 1.00 16.02 H new ATOM 88 N ARG A 7 -46.894 -8.131 7.231 1.00 15.63 N ATOM 89 CA ARG A 7 -46.635 -9.526 7.550 1.00 15.34 C ATOM 90 C ARG A 7 -45.196 -9.888 7.197 1.00 14.74 C ATOM 91 O ARG A 7 -44.560 -10.696 7.873 1.00 14.45 O ATOM 92 CB ARG A 7 -47.615 -10.438 6.809 1.00 15.83 C ATOM 93 CG ARG A 7 -49.074 -10.105 7.080 1.00 16.12 C ATOM 94 CD ARG A 7 -49.402 -10.186 8.562 1.00 16.49 C ATOM 95 NE ARG A 7 -50.773 -9.767 8.842 1.00 16.78 N ATOM 96 CZ ARG A 7 -51.241 -9.509 10.062 1.00 17.15 C ATOM 97 NH1 ARG A 7 -50.455 -9.637 11.125 1.00 17.29 N1+ ATOM 98 NH2 ARG A 7 -52.498 -9.119 10.219 1.00 17.53 N ATOM 0 H ARG A 7 -47.342 -7.976 6.328 1.00 15.63 H new ATOM 0 HA ARG A 7 -46.778 -9.670 8.621 1.00 15.34 H new ATOM 0 HB2 ARG A 7 -47.427 -10.367 5.738 1.00 15.83 H new ATOM 0 HB3 ARG A 7 -47.426 -11.472 7.098 1.00 15.83 H new ATOM 0 HG2 ARG A 7 -49.293 -9.102 6.713 1.00 16.12 H new ATOM 0 HG3 ARG A 7 -49.713 -10.793 6.527 1.00 16.12 H new ATOM 0 HD2 ARG A 7 -49.257 -11.209 8.910 1.00 16.49 H new ATOM 0 HD3 ARG A 7 -48.709 -9.558 9.122 1.00 16.49 H new ATOM 0 HE ARG A 7 -51.412 -9.666 8.054 1.00 16.78 H new ATOM 0 HH11 ARG A 7 -49.486 -9.935 11.010 1.00 17.29 H new ATOM 0 HH12 ARG A 7 -50.820 -9.438 12.056 1.00 17.29 H new ATOM 0 HH21 ARG A 7 -53.106 -9.017 9.406 1.00 17.53 H new ATOM 0 HH22 ARG A 7 -52.858 -8.921 11.153 1.00 17.53 H new ATOM 112 N SER A 8 -44.686 -9.273 6.139 1.00 14.73 N ATOM 113 CA SER A 8 -43.311 -9.481 5.715 1.00 14.36 C ATOM 114 C SER A 8 -42.364 -8.600 6.527 1.00 13.83 C ATOM 115 O SER A 8 -42.329 -7.381 6.345 1.00 13.83 O ATOM 116 CB SER A 8 -43.175 -9.160 4.226 1.00 14.71 C ATOM 117 OG SER A 8 -44.124 -9.887 3.459 1.00 15.09 O ATOM 0 H SER A 8 -45.210 -8.621 5.555 1.00 14.73 H new ATOM 0 HA SER A 8 -43.045 -10.525 5.884 1.00 14.36 H new ATOM 0 HB2 SER A 8 -43.316 -8.091 4.067 1.00 14.71 H new ATOM 0 HB3 SER A 8 -42.167 -9.403 3.889 1.00 14.71 H new ATOM 0 HG SER A 8 -44.018 -9.664 2.511 1.00 15.09 H new ATOM 123 N THR A 9 -41.619 -9.213 7.436 1.00 13.57 N ATOM 124 CA THR A 9 -40.672 -8.483 8.264 1.00 13.24 C ATOM 125 C THR A 9 -39.402 -8.154 7.480 1.00 12.78 C ATOM 126 O THR A 9 -38.794 -9.034 6.864 1.00 12.86 O ATOM 127 CB THR A 9 -40.299 -9.290 9.525 1.00 13.31 C ATOM 128 OG1 THR A 9 -41.488 -9.694 10.224 1.00 13.75 O ATOM 129 CG2 THR A 9 -39.420 -8.468 10.457 1.00 13.07 C ATOM 0 H THR A 9 -41.653 -10.216 7.618 1.00 13.57 H new ATOM 0 HA THR A 9 -41.155 -7.555 8.568 1.00 13.24 H new ATOM 0 HB THR A 9 -39.744 -10.173 9.207 1.00 13.31 H new ATOM 0 HG1 THR A 9 -41.240 -10.207 11.022 1.00 13.75 H new ATOM 0 HG21 THR A 9 -39.171 -9.059 11.338 1.00 13.07 H new ATOM 0 HG22 THR A 9 -38.504 -8.186 9.938 1.00 13.07 H new ATOM 0 HG23 THR A 9 -39.955 -7.569 10.763 1.00 13.07 H new ATOM 137 N LYS A 10 -39.015 -6.886 7.498 1.00 12.51 N ATOM 138 CA LYS A 10 -37.803 -6.448 6.824 1.00 12.26 C ATOM 139 C LYS A 10 -36.596 -6.661 7.724 1.00 11.57 C ATOM 140 O LYS A 10 -36.377 -5.919 8.681 1.00 11.56 O ATOM 141 CB LYS A 10 -37.925 -4.979 6.427 1.00 12.85 C ATOM 142 CG LYS A 10 -39.048 -4.727 5.439 1.00 13.32 C ATOM 143 CD LYS A 10 -39.298 -3.245 5.235 1.00 13.86 C ATOM 144 CE LYS A 10 -40.477 -3.013 4.305 1.00 14.21 C ATOM 145 NZ LYS A 10 -41.692 -3.747 4.757 1.00 14.58 N1+ ATOM 0 H LYS A 10 -39.525 -6.142 7.974 1.00 12.51 H new ATOM 0 HA LYS A 10 -37.667 -7.041 5.919 1.00 12.26 H new ATOM 0 HB2 LYS A 10 -38.093 -4.379 7.321 1.00 12.85 H new ATOM 0 HB3 LYS A 10 -36.983 -4.646 5.992 1.00 12.85 H new ATOM 0 HG2 LYS A 10 -38.801 -5.189 4.483 1.00 13.32 H new ATOM 0 HG3 LYS A 10 -39.961 -5.203 5.797 1.00 13.32 H new ATOM 0 HD2 LYS A 10 -39.490 -2.770 6.197 1.00 13.86 H new ATOM 0 HD3 LYS A 10 -38.406 -2.776 4.820 1.00 13.86 H new ATOM 0 HE2 LYS A 10 -40.695 -1.946 4.254 1.00 14.21 H new ATOM 0 HE3 LYS A 10 -40.213 -3.333 3.297 1.00 14.21 H new ATOM 0 HZ1 LYS A 10 -42.519 -3.410 4.225 1.00 14.58 H new ATOM 0 HZ2 LYS A 10 -41.565 -4.766 4.590 1.00 14.58 H new ATOM 0 HZ3 LYS A 10 -41.841 -3.579 5.772 1.00 14.58 H new ATOM 159 N GLU A 11 -35.827 -7.690 7.414 1.00 11.20 N ATOM 160 CA GLU A 11 -34.676 -8.060 8.221 1.00 10.71 C ATOM 161 C GLU A 11 -33.436 -7.293 7.797 1.00 9.66 C ATOM 162 O GLU A 11 -32.899 -7.508 6.710 1.00 9.26 O ATOM 163 CB GLU A 11 -34.429 -9.572 8.145 1.00 11.05 C ATOM 164 CG GLU A 11 -34.755 -10.186 6.790 1.00 11.92 C ATOM 165 CD GLU A 11 -34.807 -11.697 6.840 1.00 12.59 C ATOM 166 OE1 GLU A 11 -35.812 -12.250 7.326 1.00 13.16 O ATOM 167 OE2 GLU A 11 -33.838 -12.345 6.390 1.00 12.70 O1- ATOM 0 H GLU A 11 -35.980 -8.289 6.603 1.00 11.20 H new ATOM 0 HA GLU A 11 -34.894 -7.795 9.256 1.00 10.71 H new ATOM 0 HB2 GLU A 11 -33.384 -9.771 8.380 1.00 11.05 H new ATOM 0 HB3 GLU A 11 -35.028 -10.066 8.910 1.00 11.05 H new ATOM 0 HG2 GLU A 11 -35.714 -9.803 6.442 1.00 11.92 H new ATOM 0 HG3 GLU A 11 -34.005 -9.875 6.063 1.00 11.92 H new ATOM 174 N ILE A 12 -32.996 -6.387 8.657 1.00 9.40 N ATOM 175 CA ILE A 12 -31.788 -5.627 8.400 1.00 8.58 C ATOM 176 C ILE A 12 -30.566 -6.479 8.700 1.00 8.21 C ATOM 177 O ILE A 12 -30.352 -6.906 9.836 1.00 8.57 O ATOM 178 CB ILE A 12 -31.729 -4.332 9.239 1.00 8.89 C ATOM 179 CG1 ILE A 12 -32.937 -3.442 8.929 1.00 9.53 C ATOM 180 CG2 ILE A 12 -30.427 -3.586 8.969 1.00 8.32 C ATOM 181 CD1 ILE A 12 -32.968 -2.156 9.726 1.00 10.10 C ATOM 0 H ILE A 12 -33.459 -6.162 9.538 1.00 9.40 H new ATOM 0 HA ILE A 12 -31.799 -5.345 7.347 1.00 8.58 H new ATOM 0 HB ILE A 12 -31.760 -4.597 10.296 1.00 8.89 H new ATOM 0 HG12 ILE A 12 -32.935 -3.200 7.866 1.00 9.53 H new ATOM 0 HG13 ILE A 12 -33.850 -4.003 9.127 1.00 9.53 H new ATOM 0 HG21 ILE A 12 -30.399 -2.675 9.567 1.00 8.32 H new ATOM 0 HG22 ILE A 12 -29.582 -4.221 9.235 1.00 8.32 H new ATOM 0 HG23 ILE A 12 -30.368 -3.328 7.912 1.00 8.32 H new ATOM 0 HD11 ILE A 12 -33.851 -1.579 9.452 1.00 10.10 H new ATOM 0 HD12 ILE A 12 -33.002 -2.388 10.790 1.00 10.10 H new ATOM 0 HD13 ILE A 12 -32.073 -1.573 9.510 1.00 10.10 H new ATOM 193 N GLU A 13 -29.783 -6.741 7.672 1.00 7.77 N ATOM 194 CA GLU A 13 -28.611 -7.586 7.800 1.00 7.68 C ATOM 195 C GLU A 13 -27.384 -6.848 7.288 1.00 6.98 C ATOM 196 O GLU A 13 -27.448 -5.642 7.043 1.00 6.99 O ATOM 197 CB GLU A 13 -28.810 -8.874 7.017 1.00 8.41 C ATOM 198 CG GLU A 13 -30.234 -9.394 7.036 1.00 9.30 C ATOM 199 CD GLU A 13 -30.349 -10.752 6.390 1.00 10.20 C ATOM 200 OE1 GLU A 13 -30.754 -10.821 5.211 1.00 10.61 O ATOM 201 OE2 GLU A 13 -30.013 -11.760 7.049 1.00 10.66 O1- ATOM 0 H GLU A 13 -29.939 -6.378 6.732 1.00 7.77 H new ATOM 0 HA GLU A 13 -28.463 -7.833 8.851 1.00 7.68 H new ATOM 0 HB2 GLU A 13 -28.508 -8.709 5.983 1.00 8.41 H new ATOM 0 HB3 GLU A 13 -28.149 -9.640 7.423 1.00 8.41 H new ATOM 0 HG2 GLU A 13 -30.585 -9.452 8.066 1.00 9.30 H new ATOM 0 HG3 GLU A 13 -30.884 -8.690 6.517 1.00 9.30 H new ATOM 208 N THR A 14 -26.281 -7.574 7.119 1.00 6.67 N ATOM 209 CA THR A 14 -25.034 -7.002 6.623 1.00 6.26 C ATOM 210 C THR A 14 -24.391 -6.086 7.669 1.00 5.40 C ATOM 211 O THR A 14 -23.459 -6.504 8.356 1.00 5.42 O ATOM 212 CB THR A 14 -25.252 -6.250 5.288 1.00 6.72 C ATOM 213 OG1 THR A 14 -25.821 -7.149 4.325 1.00 7.42 O ATOM 214 CG2 THR A 14 -23.947 -5.690 4.743 1.00 7.00 C ATOM 0 H THR A 14 -26.228 -8.572 7.322 1.00 6.67 H new ATOM 0 HA THR A 14 -24.347 -7.827 6.432 1.00 6.26 H new ATOM 0 HB THR A 14 -25.928 -5.415 5.475 1.00 6.72 H new ATOM 0 HG1 THR A 14 -25.962 -6.675 3.479 1.00 7.42 H new ATOM 0 HG21 THR A 14 -24.138 -5.169 3.805 1.00 7.00 H new ATOM 0 HG22 THR A 14 -23.520 -4.994 5.465 1.00 7.00 H new ATOM 0 HG23 THR A 14 -23.246 -6.506 4.568 1.00 7.00 H new ATOM 222 N SER A 15 -24.893 -4.855 7.796 1.00 5.02 N ATOM 223 CA SER A 15 -24.412 -3.919 8.811 1.00 4.54 C ATOM 224 C SER A 15 -22.887 -3.745 8.719 1.00 3.88 C ATOM 225 O SER A 15 -22.311 -3.835 7.629 1.00 4.02 O ATOM 226 CB SER A 15 -24.829 -4.425 10.203 1.00 5.20 C ATOM 227 OG SER A 15 -24.573 -3.464 11.214 1.00 6.06 O ATOM 0 H SER A 15 -25.636 -4.484 7.204 1.00 5.02 H new ATOM 0 HA SER A 15 -24.860 -2.940 8.639 1.00 4.54 H new ATOM 0 HB2 SER A 15 -25.891 -4.671 10.197 1.00 5.20 H new ATOM 0 HB3 SER A 15 -24.290 -5.345 10.431 1.00 5.20 H new ATOM 0 HG SER A 15 -24.852 -3.821 12.083 1.00 6.06 H new ATOM 233 N GLN A 16 -22.255 -3.480 9.860 1.00 3.65 N ATOM 234 CA GLN A 16 -20.809 -3.310 9.952 1.00 3.49 C ATOM 235 C GLN A 16 -20.347 -2.102 9.149 1.00 2.88 C ATOM 236 O GLN A 16 -19.847 -2.231 8.025 1.00 3.21 O ATOM 237 CB GLN A 16 -20.072 -4.568 9.509 1.00 4.06 C ATOM 238 CG GLN A 16 -18.591 -4.520 9.834 1.00 4.50 C ATOM 239 CD GLN A 16 -18.327 -4.464 11.326 1.00 5.43 C ATOM 240 OE1 GLN A 16 -18.263 -3.386 11.918 1.00 5.86 O ATOM 241 NE2 GLN A 16 -18.167 -5.622 11.942 1.00 6.06 N ATOM 0 H GLN A 16 -22.737 -3.377 10.753 1.00 3.65 H new ATOM 0 HA GLN A 16 -20.566 -3.133 11.000 1.00 3.49 H new ATOM 0 HB2 GLN A 16 -20.519 -5.436 9.993 1.00 4.06 H new ATOM 0 HB3 GLN A 16 -20.201 -4.701 8.435 1.00 4.06 H new ATOM 0 HG2 GLN A 16 -18.101 -5.399 9.414 1.00 4.50 H new ATOM 0 HG3 GLN A 16 -18.145 -3.648 9.356 1.00 4.50 H new ATOM 0 HE21 GLN A 16 -18.228 -6.493 11.415 1.00 6.06 H new ATOM 0 HE22 GLN A 16 -17.983 -5.645 12.945 1.00 6.06 H new ATOM 250 N SER A 17 -20.541 -0.928 9.742 1.00 2.48 N ATOM 251 CA SER A 17 -20.142 0.338 9.143 1.00 2.00 C ATOM 252 C SER A 17 -20.884 0.580 7.831 1.00 1.45 C ATOM 253 O SER A 17 -21.845 -0.126 7.508 1.00 1.99 O ATOM 254 CB SER A 17 -18.628 0.361 8.911 1.00 2.29 C ATOM 255 OG SER A 17 -17.925 0.028 10.099 1.00 2.91 O ATOM 0 H SER A 17 -20.982 -0.829 10.656 1.00 2.48 H new ATOM 0 HA SER A 17 -20.405 1.139 9.834 1.00 2.00 H new ATOM 0 HB2 SER A 17 -18.367 -0.343 8.121 1.00 2.29 H new ATOM 0 HB3 SER A 17 -18.324 1.351 8.570 1.00 2.29 H new ATOM 0 HG SER A 17 -16.961 0.048 9.925 1.00 2.91 H new ATOM 261 N THR A 18 -20.455 1.583 7.084 1.00 1.04 N ATOM 262 CA THR A 18 -21.026 1.828 5.775 1.00 0.58 C ATOM 263 C THR A 18 -20.331 0.975 4.737 1.00 0.63 C ATOM 264 O THR A 18 -19.479 0.156 5.062 1.00 1.40 O ATOM 265 CB THR A 18 -20.888 3.297 5.352 1.00 0.91 C ATOM 266 OG1 THR A 18 -19.512 3.683 5.328 1.00 1.44 O ATOM 267 CG2 THR A 18 -21.646 4.213 6.288 1.00 1.26 C ATOM 0 H THR A 18 -19.720 2.234 7.360 1.00 1.04 H new ATOM 0 HA THR A 18 -22.085 1.577 5.841 1.00 0.58 H new ATOM 0 HB THR A 18 -21.312 3.390 4.352 1.00 0.91 H new ATOM 0 HG1 THR A 18 -19.230 3.944 6.230 1.00 1.44 H new ATOM 0 HG21 THR A 18 -21.528 5.246 5.961 1.00 1.26 H new ATOM 0 HG22 THR A 18 -22.703 3.948 6.279 1.00 1.26 H new ATOM 0 HG23 THR A 18 -21.253 4.106 7.299 1.00 1.26 H new ATOM 275 N THR A 19 -20.703 1.160 3.492 1.00 0.61 N ATOM 276 CA THR A 19 -19.954 0.601 2.398 1.00 0.56 C ATOM 277 C THR A 19 -19.268 1.735 1.672 1.00 0.64 C ATOM 278 O THR A 19 -19.762 2.865 1.666 1.00 1.25 O ATOM 279 CB THR A 19 -20.854 -0.182 1.426 1.00 0.63 C ATOM 280 OG1 THR A 19 -21.742 -1.035 2.162 1.00 0.66 O ATOM 281 CG2 THR A 19 -20.013 -1.024 0.483 1.00 0.66 C ATOM 0 H THR A 19 -21.525 1.697 3.214 1.00 0.61 H new ATOM 0 HA THR A 19 -19.224 -0.105 2.792 1.00 0.56 H new ATOM 0 HB THR A 19 -21.434 0.532 0.842 1.00 0.63 H new ATOM 0 HG1 THR A 19 -22.313 -1.529 1.538 1.00 0.66 H new ATOM 0 HG21 THR A 19 -20.666 -1.571 -0.197 1.00 0.66 H new ATOM 0 HG22 THR A 19 -19.352 -0.376 -0.092 1.00 0.66 H new ATOM 0 HG23 THR A 19 -19.417 -1.731 1.060 1.00 0.66 H new ATOM 289 N ALA A 20 -18.122 1.449 1.095 1.00 0.26 N ATOM 290 CA ALA A 20 -17.329 2.476 0.471 1.00 0.22 C ATOM 291 C ALA A 20 -17.914 2.903 -0.852 1.00 0.24 C ATOM 292 O ALA A 20 -18.983 2.457 -1.274 1.00 0.39 O ATOM 293 CB ALA A 20 -15.919 2.015 0.276 1.00 0.31 C ATOM 0 H ALA A 20 -17.721 0.512 1.047 1.00 0.26 H new ATOM 0 HA ALA A 20 -17.333 3.336 1.140 1.00 0.22 H new ATOM 0 HB1 ALA A 20 -15.339 2.808 -0.197 1.00 0.31 H new ATOM 0 HB2 ALA A 20 -15.479 1.771 1.243 1.00 0.31 H new ATOM 0 HB3 ALA A 20 -15.910 1.130 -0.360 1.00 0.31 H new ATOM 299 N ASN A 21 -17.179 3.771 -1.491 1.00 0.23 N ATOM 300 CA ASN A 21 -17.590 4.415 -2.706 1.00 0.24 C ATOM 301 C ASN A 21 -16.467 4.254 -3.694 1.00 0.25 C ATOM 302 O ASN A 21 -15.332 4.086 -3.294 1.00 0.26 O ATOM 303 CB ASN A 21 -17.827 5.886 -2.394 1.00 0.27 C ATOM 304 CG ASN A 21 -18.906 6.068 -1.332 1.00 0.35 C ATOM 305 OD1 ASN A 21 -20.060 6.359 -1.651 1.00 0.43 O ATOM 306 ND2 ASN A 21 -18.550 5.848 -0.063 1.00 0.35 N ATOM 0 H ASN A 21 -16.253 4.057 -1.172 1.00 0.23 H new ATOM 0 HA ASN A 21 -18.504 3.987 -3.117 1.00 0.24 H new ATOM 0 HB2 ASN A 21 -16.897 6.340 -2.051 1.00 0.27 H new ATOM 0 HB3 ASN A 21 -18.120 6.409 -3.304 1.00 0.27 H new ATOM 0 HD21 ASN A 21 -19.244 5.919 0.681 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -17.584 5.609 0.162 1.00 0.35 H new ATOM 313 N GLN A 22 -16.752 4.286 -4.971 1.00 0.34 N ATOM 314 CA GLN A 22 -15.699 4.099 -5.956 1.00 0.40 C ATOM 315 C GLN A 22 -14.891 5.365 -6.144 1.00 0.42 C ATOM 316 O GLN A 22 -13.838 5.353 -6.772 1.00 0.48 O ATOM 317 CB GLN A 22 -16.273 3.630 -7.278 1.00 0.51 C ATOM 318 CG GLN A 22 -16.286 2.121 -7.437 1.00 0.51 C ATOM 319 CD GLN A 22 -16.651 1.416 -6.153 1.00 0.58 C ATOM 320 OE1 GLN A 22 -15.652 1.183 -5.324 1.00 1.00 O flip ATOM 321 NE2 GLN A 22 -17.814 1.116 -5.892 1.00 0.38 N flip ATOM 0 H GLN A 22 -17.685 4.436 -5.356 1.00 0.34 H new ATOM 0 HA GLN A 22 -15.028 3.326 -5.580 1.00 0.40 H new ATOM 0 HB2 GLN A 22 -17.292 4.005 -7.375 1.00 0.51 H new ATOM 0 HB3 GLN A 22 -15.693 4.067 -8.091 1.00 0.51 H new ATOM 0 HG2 GLN A 22 -16.997 1.845 -8.216 1.00 0.51 H new ATOM 0 HG3 GLN A 22 -15.304 1.784 -7.768 1.00 0.51 H new ATOM 0 HE21 GLN A 22 -18.555 1.315 -6.564 1.00 0.38 H new ATOM 0 HE22 GLN A 22 -18.038 0.668 -5.004 1.00 0.38 H new ATOM 330 N SER A 23 -15.372 6.450 -5.591 1.00 0.41 N ATOM 331 CA SER A 23 -14.588 7.651 -5.517 1.00 0.47 C ATOM 332 C SER A 23 -13.684 7.555 -4.306 1.00 0.41 C ATOM 333 O SER A 23 -12.758 8.346 -4.121 1.00 0.49 O ATOM 334 CB SER A 23 -15.488 8.886 -5.445 1.00 0.52 C ATOM 335 OG SER A 23 -16.344 8.968 -6.574 1.00 1.36 O ATOM 0 H SER A 23 -16.305 6.524 -5.185 1.00 0.41 H new ATOM 0 HA SER A 23 -13.981 7.755 -6.416 1.00 0.47 H new ATOM 0 HB2 SER A 23 -16.086 8.850 -4.535 1.00 0.52 H new ATOM 0 HB3 SER A 23 -14.873 9.784 -5.387 1.00 0.52 H new ATOM 0 HG SER A 23 -16.908 9.766 -6.499 1.00 1.36 H new ATOM 341 N ASP A 24 -13.966 6.550 -3.492 1.00 0.31 N ATOM 342 CA ASP A 24 -13.173 6.247 -2.340 1.00 0.34 C ATOM 343 C ASP A 24 -12.215 5.129 -2.670 1.00 0.35 C ATOM 344 O ASP A 24 -11.024 5.184 -2.382 1.00 0.53 O ATOM 345 CB ASP A 24 -14.064 5.806 -1.194 1.00 0.36 C ATOM 346 CG ASP A 24 -15.003 6.890 -0.714 1.00 0.86 C ATOM 347 OD1 ASP A 24 -16.008 6.551 -0.060 1.00 1.27 O ATOM 348 OD2 ASP A 24 -14.743 8.081 -0.979 1.00 1.09 O1- ATOM 0 H ASP A 24 -14.761 5.924 -3.625 1.00 0.31 H new ATOM 0 HA ASP A 24 -12.621 7.140 -2.048 1.00 0.34 H new ATOM 0 HB2 ASP A 24 -14.649 4.942 -1.510 1.00 0.36 H new ATOM 0 HB3 ASP A 24 -13.439 5.481 -0.362 1.00 0.36 H new ATOM 353 N VAL A 25 -12.773 4.126 -3.319 1.00 0.22 N ATOM 354 CA VAL A 25 -12.122 2.852 -3.496 1.00 0.20 C ATOM 355 C VAL A 25 -11.244 2.803 -4.729 1.00 0.22 C ATOM 356 O VAL A 25 -10.082 2.432 -4.652 1.00 0.23 O ATOM 357 CB VAL A 25 -13.158 1.711 -3.568 1.00 0.30 C ATOM 358 CG1 VAL A 25 -12.517 0.405 -4.001 1.00 1.01 C ATOM 359 CG2 VAL A 25 -13.852 1.539 -2.236 1.00 0.85 C ATOM 0 H VAL A 25 -13.700 4.178 -3.741 1.00 0.22 H new ATOM 0 HA VAL A 25 -11.481 2.720 -2.625 1.00 0.20 H new ATOM 0 HB VAL A 25 -13.899 1.985 -4.319 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -13.275 -0.377 -4.041 1.00 1.01 H new ATOM 0 HG12 VAL A 25 -12.071 0.528 -4.988 1.00 1.01 H new ATOM 0 HG13 VAL A 25 -11.744 0.124 -3.286 1.00 1.01 H new ATOM 0 HG21 VAL A 25 -14.579 0.730 -2.306 1.00 0.85 H new ATOM 0 HG22 VAL A 25 -13.115 1.299 -1.470 1.00 0.85 H new ATOM 0 HG23 VAL A 25 -14.363 2.464 -1.970 1.00 0.85 H new ATOM 369 N ASP A 26 -11.821 3.158 -5.858 1.00 0.25 N ATOM 370 CA ASP A 26 -11.152 3.050 -7.148 1.00 0.27 C ATOM 371 C ASP A 26 -9.799 3.757 -7.142 1.00 0.23 C ATOM 372 O ASP A 26 -8.791 3.153 -7.468 1.00 0.22 O ATOM 373 CB ASP A 26 -12.037 3.615 -8.261 1.00 0.32 C ATOM 374 CG ASP A 26 -11.401 3.521 -9.633 1.00 0.39 C ATOM 375 OD1 ASP A 26 -11.484 2.448 -10.259 1.00 0.51 O ATOM 376 OD2 ASP A 26 -10.795 4.515 -10.081 1.00 0.46 O1- ATOM 0 H ASP A 26 -12.769 3.531 -5.913 1.00 0.25 H new ATOM 0 HA ASP A 26 -10.975 1.991 -7.337 1.00 0.27 H new ATOM 0 HB2 ASP A 26 -12.986 3.079 -8.270 1.00 0.32 H new ATOM 0 HB3 ASP A 26 -12.263 4.659 -8.043 1.00 0.32 H new ATOM 381 N ASP A 27 -9.780 5.024 -6.731 1.00 0.22 N ATOM 382 CA ASP A 27 -8.542 5.803 -6.684 1.00 0.21 C ATOM 383 C ASP A 27 -7.632 5.267 -5.618 1.00 0.16 C ATOM 384 O ASP A 27 -6.419 5.239 -5.795 1.00 0.16 O ATOM 385 CB ASP A 27 -8.797 7.281 -6.394 1.00 0.24 C ATOM 386 CG ASP A 27 -9.284 8.043 -7.606 1.00 0.29 C ATOM 387 OD1 ASP A 27 -10.513 8.210 -7.754 1.00 0.42 O ATOM 388 OD2 ASP A 27 -8.444 8.476 -8.421 1.00 0.45 O1- ATOM 0 H ASP A 27 -10.609 5.534 -6.425 1.00 0.22 H new ATOM 0 HA ASP A 27 -8.081 5.715 -7.668 1.00 0.21 H new ATOM 0 HB2 ASP A 27 -9.535 7.368 -5.596 1.00 0.24 H new ATOM 0 HB3 ASP A 27 -7.877 7.738 -6.029 1.00 0.24 H new ATOM 393 N PHE A 28 -8.226 4.851 -4.505 1.00 0.13 N ATOM 394 CA PHE A 28 -7.467 4.214 -3.452 1.00 0.10 C ATOM 395 C PHE A 28 -6.699 3.086 -4.062 1.00 0.10 C ATOM 396 O PHE A 28 -5.485 3.106 -4.140 1.00 0.09 O ATOM 397 CB PHE A 28 -8.368 3.637 -2.354 1.00 0.09 C ATOM 398 CG PHE A 28 -7.612 2.780 -1.390 1.00 0.08 C ATOM 399 CD1 PHE A 28 -6.968 3.332 -0.296 1.00 0.08 C ATOM 400 CD2 PHE A 28 -7.590 1.417 -1.552 1.00 0.08 C ATOM 401 CE1 PHE A 28 -6.324 2.535 0.609 1.00 0.11 C ATOM 402 CE2 PHE A 28 -6.934 0.614 -0.656 1.00 0.10 C ATOM 403 CZ PHE A 28 -6.131 1.222 0.344 1.00 0.08 C ATOM 0 H PHE A 28 -9.224 4.945 -4.316 1.00 0.13 H new ATOM 0 HA PHE A 28 -6.818 4.962 -2.997 1.00 0.10 H new ATOM 0 HB2 PHE A 28 -8.846 4.454 -1.813 1.00 0.09 H new ATOM 0 HB3 PHE A 28 -9.164 3.050 -2.812 1.00 0.09 H new ATOM 0 HD1 PHE A 28 -6.974 4.403 -0.156 1.00 0.08 H new ATOM 0 HD2 PHE A 28 -8.096 0.972 -2.396 1.00 0.08 H new ATOM 0 HE1 PHE A 28 -5.968 2.955 1.538 1.00 0.11 H new ATOM 0 HE2 PHE A 28 -7.026 -0.461 -0.710 1.00 0.10 H new ATOM 0 HZ PHE A 28 -5.386 0.652 0.879 1.00 0.08 H new ATOM 413 N ASN A 29 -7.467 2.153 -4.570 1.00 0.12 N ATOM 414 CA ASN A 29 -6.962 0.915 -5.128 1.00 0.13 C ATOM 415 C ASN A 29 -6.073 1.167 -6.309 1.00 0.13 C ATOM 416 O ASN A 29 -5.193 0.378 -6.612 1.00 0.14 O ATOM 417 CB ASN A 29 -8.131 0.048 -5.561 1.00 0.19 C ATOM 418 CG ASN A 29 -8.650 -0.809 -4.436 1.00 0.23 C ATOM 419 OD1 ASN A 29 -8.260 -1.964 -4.281 1.00 0.30 O ATOM 420 ND2 ASN A 29 -9.524 -0.241 -3.634 1.00 0.23 N ATOM 0 H ASN A 29 -8.483 2.232 -4.609 1.00 0.12 H new ATOM 0 HA ASN A 29 -6.375 0.411 -4.360 1.00 0.13 H new ATOM 0 HB2 ASN A 29 -8.935 0.684 -5.932 1.00 0.19 H new ATOM 0 HB3 ASN A 29 -7.821 -0.590 -6.389 1.00 0.19 H new ATOM 0 HD21 ASN A 29 -9.906 -0.762 -2.845 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -9.819 0.721 -3.801 1.00 0.23 H new ATOM 427 N THR A 30 -6.296 2.274 -6.961 1.00 0.13 N ATOM 428 CA THR A 30 -5.571 2.583 -8.149 1.00 0.14 C ATOM 429 C THR A 30 -4.220 3.152 -7.817 1.00 0.12 C ATOM 430 O THR A 30 -3.207 2.735 -8.371 1.00 0.12 O ATOM 431 CB THR A 30 -6.338 3.577 -9.007 1.00 0.17 C ATOM 432 OG1 THR A 30 -7.421 2.922 -9.680 1.00 0.20 O ATOM 433 CG2 THR A 30 -5.422 4.238 -10.012 1.00 0.17 C ATOM 0 H THR A 30 -6.980 2.978 -6.683 1.00 0.13 H new ATOM 0 HA THR A 30 -5.441 1.655 -8.706 1.00 0.14 H new ATOM 0 HB THR A 30 -6.745 4.349 -8.354 1.00 0.17 H new ATOM 0 HG1 THR A 30 -8.182 2.835 -9.068 1.00 0.20 H new ATOM 0 HG21 THR A 30 -5.993 4.945 -10.614 1.00 0.17 H new ATOM 0 HG22 THR A 30 -4.627 4.768 -9.487 1.00 0.17 H new ATOM 0 HG23 THR A 30 -4.985 3.479 -10.660 1.00 0.17 H new ATOM 441 N LEU A 31 -4.214 4.093 -6.895 1.00 0.12 N ATOM 442 CA LEU A 31 -2.998 4.724 -6.480 1.00 0.12 C ATOM 443 C LEU A 31 -2.200 3.692 -5.733 1.00 0.11 C ATOM 444 O LEU A 31 -0.994 3.618 -5.829 1.00 0.12 O ATOM 445 CB LEU A 31 -3.328 5.921 -5.598 1.00 0.14 C ATOM 446 CG LEU A 31 -2.147 6.829 -5.257 1.00 0.17 C ATOM 447 CD1 LEU A 31 -1.389 7.222 -6.515 1.00 0.40 C ATOM 448 CD2 LEU A 31 -2.644 8.061 -4.537 1.00 0.53 C ATOM 0 H LEU A 31 -5.050 4.433 -6.421 1.00 0.12 H new ATOM 0 HA LEU A 31 -2.421 5.092 -7.328 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -4.092 6.518 -6.096 1.00 0.14 H new ATOM 0 HB3 LEU A 31 -3.765 5.556 -4.668 1.00 0.14 H new ATOM 0 HG LEU A 31 -1.463 6.285 -4.606 1.00 0.17 H new ATOM 0 HD11 LEU A 31 -0.553 7.868 -6.249 1.00 0.40 H new ATOM 0 HD12 LEU A 31 -1.012 6.326 -7.008 1.00 0.40 H new ATOM 0 HD13 LEU A 31 -2.058 7.754 -7.191 1.00 0.40 H new ATOM 0 HD21 LEU A 31 -1.800 8.707 -4.295 1.00 0.53 H new ATOM 0 HD22 LEU A 31 -3.341 8.601 -5.178 1.00 0.53 H new ATOM 0 HD23 LEU A 31 -3.150 7.766 -3.618 1.00 0.53 H new ATOM 460 N TYR A 32 -2.947 2.855 -5.057 1.00 0.09 N ATOM 461 CA TYR A 32 -2.448 1.707 -4.335 1.00 0.07 C ATOM 462 C TYR A 32 -1.792 0.720 -5.280 1.00 0.08 C ATOM 463 O TYR A 32 -0.679 0.259 -5.044 1.00 0.08 O ATOM 464 CB TYR A 32 -3.651 1.094 -3.672 1.00 0.07 C ATOM 465 CG TYR A 32 -3.473 -0.277 -3.102 1.00 0.06 C ATOM 466 CD1 TYR A 32 -2.967 -0.440 -1.824 1.00 0.06 C ATOM 467 CD2 TYR A 32 -3.759 -1.397 -3.848 1.00 0.08 C ATOM 468 CE1 TYR A 32 -2.751 -1.694 -1.305 1.00 0.09 C ATOM 469 CE2 TYR A 32 -3.556 -2.656 -3.339 1.00 0.10 C ATOM 470 CZ TYR A 32 -3.241 -2.814 -2.031 1.00 0.08 C ATOM 471 OH TYR A 32 -2.821 -4.062 -1.560 1.00 0.15 O ATOM 0 H TYR A 32 -3.960 2.957 -4.991 1.00 0.09 H new ATOM 0 HA TYR A 32 -1.688 1.989 -3.607 1.00 0.07 H new ATOM 0 HB2 TYR A 32 -3.974 1.758 -2.870 1.00 0.07 H new ATOM 0 HB3 TYR A 32 -4.461 1.058 -4.401 1.00 0.07 H new ATOM 0 HD1 TYR A 32 -2.739 0.430 -1.227 1.00 0.06 H new ATOM 0 HD2 TYR A 32 -4.149 -1.284 -4.849 1.00 0.08 H new ATOM 0 HE1 TYR A 32 -2.224 -1.825 -0.372 1.00 0.09 H new ATOM 0 HE2 TYR A 32 -3.647 -3.520 -3.981 1.00 0.10 H new ATOM 0 HH TYR A 32 -3.207 -4.769 -2.118 1.00 0.15 H new ATOM 481 N ASP A 33 -2.494 0.431 -6.364 1.00 0.10 N ATOM 482 CA ASP A 33 -2.005 -0.471 -7.391 1.00 0.11 C ATOM 483 C ASP A 33 -0.800 0.145 -8.037 1.00 0.09 C ATOM 484 O ASP A 33 0.075 -0.528 -8.571 1.00 0.11 O ATOM 485 CB ASP A 33 -3.064 -0.695 -8.465 1.00 0.16 C ATOM 486 CG ASP A 33 -3.704 -2.067 -8.391 1.00 0.31 C ATOM 487 OD1 ASP A 33 -4.416 -2.340 -7.400 1.00 0.42 O ATOM 488 OD2 ASP A 33 -3.510 -2.879 -9.321 1.00 0.52 O1- ATOM 0 H ASP A 33 -3.419 0.816 -6.555 1.00 0.10 H new ATOM 0 HA ASP A 33 -1.759 -1.427 -6.929 1.00 0.11 H new ATOM 0 HB2 ASP A 33 -3.838 0.066 -8.368 1.00 0.16 H new ATOM 0 HB3 ASP A 33 -2.610 -0.565 -9.447 1.00 0.16 H new ATOM 493 N ALA A 34 -0.794 1.452 -7.958 1.00 0.08 N ATOM 494 CA ALA A 34 0.212 2.278 -8.567 1.00 0.09 C ATOM 495 C ALA A 34 1.514 2.207 -7.810 1.00 0.08 C ATOM 496 O ALA A 34 2.587 2.294 -8.406 1.00 0.09 O ATOM 497 CB ALA A 34 -0.267 3.693 -8.580 1.00 0.10 C ATOM 0 H ALA A 34 -1.507 1.982 -7.456 1.00 0.08 H new ATOM 0 HA ALA A 34 0.386 1.918 -9.581 1.00 0.09 H new ATOM 0 HB1 ALA A 34 0.489 4.329 -9.040 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -1.193 3.758 -9.151 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -0.447 4.025 -7.558 1.00 0.10 H new ATOM 503 N PHE A 35 1.422 2.065 -6.485 1.00 0.06 N ATOM 504 CA PHE A 35 2.615 1.952 -5.664 1.00 0.06 C ATOM 505 C PHE A 35 3.347 0.715 -6.044 1.00 0.06 C ATOM 506 O PHE A 35 4.495 0.535 -5.714 1.00 0.08 O ATOM 507 CB PHE A 35 2.302 1.821 -4.197 1.00 0.05 C ATOM 508 CG PHE A 35 1.852 3.055 -3.519 1.00 0.05 C ATOM 509 CD1 PHE A 35 2.705 3.733 -2.697 1.00 0.05 C ATOM 510 CD2 PHE A 35 0.581 3.544 -3.726 1.00 0.06 C ATOM 511 CE1 PHE A 35 2.313 4.888 -2.071 1.00 0.06 C ATOM 512 CE2 PHE A 35 0.173 4.700 -3.109 1.00 0.06 C ATOM 513 CZ PHE A 35 0.985 5.329 -2.232 1.00 0.06 C ATOM 0 H PHE A 35 0.543 2.027 -5.970 1.00 0.06 H new ATOM 0 HA PHE A 35 3.195 2.860 -5.830 1.00 0.06 H new ATOM 0 HB2 PHE A 35 1.530 1.061 -4.077 1.00 0.05 H new ATOM 0 HB3 PHE A 35 3.192 1.454 -3.687 1.00 0.05 H new ATOM 0 HD1 PHE A 35 3.704 3.354 -2.537 1.00 0.05 H new ATOM 0 HD2 PHE A 35 -0.098 3.015 -4.378 1.00 0.06 H new ATOM 0 HE1 PHE A 35 3.009 5.449 -1.466 1.00 0.06 H new ATOM 0 HE2 PHE A 35 -0.803 5.109 -3.326 1.00 0.06 H new ATOM 0 HZ PHE A 35 0.618 6.166 -1.657 1.00 0.06 H new ATOM 523 N TYR A 36 2.635 -0.164 -6.683 1.00 0.06 N ATOM 524 CA TYR A 36 3.212 -1.368 -7.169 1.00 0.06 C ATOM 525 C TYR A 36 3.588 -1.186 -8.607 1.00 0.08 C ATOM 526 O TYR A 36 2.789 -0.774 -9.444 1.00 0.11 O ATOM 527 CB TYR A 36 2.255 -2.526 -7.019 1.00 0.07 C ATOM 528 CG TYR A 36 1.817 -2.775 -5.606 1.00 0.06 C ATOM 529 CD1 TYR A 36 2.680 -3.357 -4.696 1.00 0.07 C ATOM 530 CD2 TYR A 36 0.534 -2.464 -5.194 1.00 0.07 C ATOM 531 CE1 TYR A 36 2.271 -3.629 -3.408 1.00 0.09 C ATOM 532 CE2 TYR A 36 0.117 -2.722 -3.909 1.00 0.08 C ATOM 533 CZ TYR A 36 0.984 -3.309 -3.019 1.00 0.07 C ATOM 534 OH TYR A 36 0.561 -3.589 -1.743 1.00 0.11 O ATOM 0 H TYR A 36 1.639 -0.061 -6.879 1.00 0.06 H new ATOM 0 HA TYR A 36 4.103 -1.596 -6.583 1.00 0.06 H new ATOM 0 HB2 TYR A 36 1.375 -2.339 -7.634 1.00 0.07 H new ATOM 0 HB3 TYR A 36 2.728 -3.428 -7.406 1.00 0.07 H new ATOM 0 HD1 TYR A 36 3.688 -3.602 -4.998 1.00 0.07 H new ATOM 0 HD2 TYR A 36 -0.153 -2.011 -5.894 1.00 0.07 H new ATOM 0 HE1 TYR A 36 2.952 -4.089 -2.707 1.00 0.09 H new ATOM 0 HE2 TYR A 36 -0.886 -2.465 -3.601 1.00 0.08 H new ATOM 0 HH TYR A 36 -0.369 -3.298 -1.635 1.00 0.11 H new ATOM 544 N THR A 37 4.830 -1.472 -8.861 1.00 0.08 N ATOM 545 CA THR A 37 5.395 -1.336 -10.198 1.00 0.11 C ATOM 546 C THR A 37 4.664 -2.242 -11.182 1.00 0.14 C ATOM 547 O THR A 37 4.636 -1.988 -12.388 1.00 0.17 O ATOM 548 CB THR A 37 6.893 -1.678 -10.217 1.00 0.12 C ATOM 549 OG1 THR A 37 7.083 -3.097 -10.277 1.00 0.14 O ATOM 550 CG2 THR A 37 7.558 -1.159 -8.973 1.00 0.11 C ATOM 0 H THR A 37 5.490 -1.806 -8.159 1.00 0.08 H new ATOM 0 HA THR A 37 5.272 -0.294 -10.495 1.00 0.11 H new ATOM 0 HB THR A 37 7.334 -1.212 -11.098 1.00 0.12 H new ATOM 0 HG1 THR A 37 8.042 -3.298 -10.290 1.00 0.14 H new ATOM 0 HG21 THR A 37 8.619 -1.407 -8.997 1.00 0.11 H new ATOM 0 HG22 THR A 37 7.439 -0.077 -8.922 1.00 0.11 H new ATOM 0 HG23 THR A 37 7.098 -1.616 -8.097 1.00 0.11 H new ATOM 558 N ASN A 38 4.078 -3.300 -10.644 1.00 0.15 N ATOM 559 CA ASN A 38 3.302 -4.239 -11.423 1.00 0.26 C ATOM 560 C ASN A 38 2.157 -4.749 -10.577 1.00 0.29 C ATOM 561 O ASN A 38 2.259 -4.783 -9.349 1.00 0.71 O ATOM 562 CB ASN A 38 4.176 -5.402 -11.932 1.00 0.38 C ATOM 563 CG ASN A 38 5.086 -6.042 -10.884 1.00 0.65 C ATOM 564 OD1 ASN A 38 6.186 -6.485 -11.207 1.00 1.52 O ATOM 565 ND2 ASN A 38 4.648 -6.117 -9.636 1.00 0.99 N ATOM 0 H ASN A 38 4.130 -3.528 -9.651 1.00 0.15 H new ATOM 0 HA ASN A 38 2.905 -3.732 -12.303 1.00 0.26 H new ATOM 0 HB2 ASN A 38 3.523 -6.173 -12.342 1.00 0.38 H new ATOM 0 HB3 ASN A 38 4.794 -5.038 -12.753 1.00 0.38 H new ATOM 0 HD21 ASN A 38 5.228 -6.550 -8.917 1.00 0.99 H new ATOM 0 HD22 ASN A 38 3.731 -5.742 -9.394 1.00 0.99 H new ATOM 572 N SER A 39 1.075 -5.153 -11.226 1.00 0.33 N ATOM 573 CA SER A 39 -0.131 -5.563 -10.522 1.00 0.28 C ATOM 574 C SER A 39 0.070 -6.876 -9.773 1.00 0.22 C ATOM 575 O SER A 39 -0.844 -7.368 -9.112 1.00 0.24 O ATOM 576 CB SER A 39 -1.298 -5.675 -11.493 1.00 0.35 C ATOM 577 OG SER A 39 -0.897 -6.307 -12.697 1.00 0.36 O ATOM 0 H SER A 39 1.008 -5.206 -12.242 1.00 0.33 H new ATOM 0 HA SER A 39 -0.359 -4.796 -9.782 1.00 0.28 H new ATOM 0 HB2 SER A 39 -2.106 -6.242 -11.032 1.00 0.35 H new ATOM 0 HB3 SER A 39 -1.690 -4.682 -11.712 1.00 0.35 H new ATOM 0 HG SER A 39 -1.663 -6.369 -13.305 1.00 0.36 H new ATOM 583 N ASN A 40 1.267 -7.442 -9.881 1.00 0.20 N ATOM 584 CA ASN A 40 1.647 -8.575 -9.051 1.00 0.20 C ATOM 585 C ASN A 40 1.806 -8.100 -7.617 1.00 0.16 C ATOM 586 O ASN A 40 1.744 -8.881 -6.673 1.00 0.18 O ATOM 587 CB ASN A 40 2.970 -9.199 -9.506 1.00 0.26 C ATOM 588 CG ASN A 40 3.046 -9.490 -10.994 1.00 0.43 C ATOM 589 OD1 ASN A 40 2.439 -8.805 -11.816 1.00 1.09 O ATOM 590 ND2 ASN A 40 3.822 -10.496 -11.352 1.00 1.15 N ATOM 0 H ASN A 40 1.988 -7.135 -10.534 1.00 0.20 H new ATOM 0 HA ASN A 40 0.866 -9.331 -9.136 1.00 0.20 H new ATOM 0 HB2 ASN A 40 3.786 -8.528 -9.237 1.00 0.26 H new ATOM 0 HB3 ASN A 40 3.127 -10.128 -8.958 1.00 0.26 H new ATOM 0 HD21 ASN A 40 3.934 -10.728 -12.339 1.00 1.15 H new ATOM 0 HD22 ASN A 40 4.310 -11.042 -10.642 1.00 1.15 H new ATOM 597 N LYS A 41 1.987 -6.774 -7.492 1.00 0.13 N ATOM 598 CA LYS A 41 2.147 -6.096 -6.218 1.00 0.11 C ATOM 599 C LYS A 41 3.214 -6.757 -5.386 1.00 0.11 C ATOM 600 O LYS A 41 3.119 -6.879 -4.168 1.00 0.12 O ATOM 601 CB LYS A 41 0.798 -6.004 -5.549 1.00 0.11 C ATOM 602 CG LYS A 41 -0.227 -5.481 -6.523 1.00 0.13 C ATOM 603 CD LYS A 41 -1.616 -5.658 -6.003 1.00 0.17 C ATOM 604 CE LYS A 41 -2.271 -4.327 -5.820 1.00 0.20 C ATOM 605 NZ LYS A 41 -3.756 -4.425 -5.857 1.00 0.66 N1+ ATOM 0 H LYS A 41 2.025 -6.144 -8.293 1.00 0.13 H new ATOM 0 HA LYS A 41 2.504 -5.076 -6.361 1.00 0.11 H new ATOM 0 HB2 LYS A 41 0.497 -6.986 -5.184 1.00 0.11 H new ATOM 0 HB3 LYS A 41 0.857 -5.346 -4.682 1.00 0.11 H new ATOM 0 HG2 LYS A 41 -0.041 -4.424 -6.716 1.00 0.13 H new ATOM 0 HG3 LYS A 41 -0.125 -6.002 -7.475 1.00 0.13 H new ATOM 0 HD2 LYS A 41 -2.197 -6.265 -6.697 1.00 0.17 H new ATOM 0 HD3 LYS A 41 -1.592 -6.193 -5.054 1.00 0.17 H new ATOM 0 HE2 LYS A 41 -1.960 -3.898 -4.867 1.00 0.20 H new ATOM 0 HE3 LYS A 41 -1.933 -3.646 -6.602 1.00 0.20 H new ATOM 0 HZ1 LYS A 41 -4.159 -3.498 -6.100 1.00 0.66 H new ATOM 0 HZ2 LYS A 41 -4.040 -5.124 -6.573 1.00 0.66 H new ATOM 0 HZ3 LYS A 41 -4.108 -4.722 -4.924 1.00 0.66 H new ATOM 619 N THR A 42 4.253 -7.135 -6.105 1.00 0.11 N ATOM 620 CA THR A 42 5.422 -7.777 -5.560 1.00 0.12 C ATOM 621 C THR A 42 6.590 -6.809 -5.570 1.00 0.10 C ATOM 622 O THR A 42 7.698 -7.121 -5.135 1.00 0.13 O ATOM 623 CB THR A 42 5.754 -8.990 -6.422 1.00 0.16 C ATOM 624 OG1 THR A 42 5.831 -8.582 -7.800 1.00 0.18 O ATOM 625 CG2 THR A 42 4.669 -10.026 -6.253 1.00 0.21 C ATOM 0 H THR A 42 4.303 -6.997 -7.114 1.00 0.11 H new ATOM 0 HA THR A 42 5.231 -8.088 -4.533 1.00 0.12 H new ATOM 0 HB THR A 42 6.711 -9.416 -6.118 1.00 0.16 H new ATOM 0 HG1 THR A 42 6.046 -9.358 -8.359 1.00 0.18 H new ATOM 0 HG21 THR A 42 4.899 -10.897 -6.866 1.00 0.21 H new ATOM 0 HG22 THR A 42 4.611 -10.324 -5.206 1.00 0.21 H new ATOM 0 HG23 THR A 42 3.713 -9.605 -6.564 1.00 0.21 H new ATOM 633 N ALA A 43 6.302 -5.614 -6.051 1.00 0.09 N ATOM 634 CA ALA A 43 7.309 -4.608 -6.294 1.00 0.09 C ATOM 635 C ALA A 43 6.664 -3.244 -6.240 1.00 0.07 C ATOM 636 O ALA A 43 5.513 -3.089 -6.635 1.00 0.09 O ATOM 637 CB ALA A 43 7.958 -4.834 -7.640 1.00 0.10 C ATOM 0 H ALA A 43 5.355 -5.316 -6.284 1.00 0.09 H new ATOM 0 HA ALA A 43 8.083 -4.672 -5.529 1.00 0.09 H new ATOM 0 HB1 ALA A 43 8.715 -4.069 -7.812 1.00 0.10 H new ATOM 0 HB2 ALA A 43 8.426 -5.818 -7.658 1.00 0.10 H new ATOM 0 HB3 ALA A 43 7.202 -4.778 -8.423 1.00 0.10 H new ATOM 643 N LEU A 44 7.399 -2.272 -5.745 1.00 0.06 N ATOM 644 CA LEU A 44 6.847 -0.970 -5.479 1.00 0.06 C ATOM 645 C LEU A 44 7.563 0.179 -6.159 1.00 0.08 C ATOM 646 O LEU A 44 8.795 0.254 -6.202 1.00 0.09 O ATOM 647 CB LEU A 44 6.834 -0.760 -3.996 1.00 0.06 C ATOM 648 CG LEU A 44 5.808 -1.602 -3.291 1.00 0.04 C ATOM 649 CD1 LEU A 44 6.455 -2.495 -2.275 1.00 0.05 C ATOM 650 CD2 LEU A 44 4.847 -0.702 -2.620 1.00 0.05 C ATOM 0 H LEU A 44 8.389 -2.365 -5.518 1.00 0.06 H new ATOM 0 HA LEU A 44 5.842 -0.963 -5.902 1.00 0.06 H new ATOM 0 HB2 LEU A 44 7.821 -0.988 -3.594 1.00 0.06 H new ATOM 0 HB3 LEU A 44 6.639 0.292 -3.786 1.00 0.06 H new ATOM 0 HG LEU A 44 5.298 -2.233 -4.019 1.00 0.04 H new ATOM 0 HD11 LEU A 44 5.692 -3.094 -1.778 1.00 0.05 H new ATOM 0 HD12 LEU A 44 7.168 -3.154 -2.771 1.00 0.05 H new ATOM 0 HD13 LEU A 44 6.977 -1.887 -1.536 1.00 0.05 H new ATOM 0 HD21 LEU A 44 4.093 -1.295 -2.102 1.00 0.05 H new ATOM 0 HD22 LEU A 44 5.375 -0.078 -1.900 1.00 0.05 H new ATOM 0 HD23 LEU A 44 4.362 -0.068 -3.363 1.00 0.05 H new ATOM 662 N LYS A 45 6.740 1.075 -6.670 1.00 0.10 N ATOM 663 CA LYS A 45 7.166 2.300 -7.263 1.00 0.12 C ATOM 664 C LYS A 45 7.428 3.290 -6.193 1.00 0.12 C ATOM 665 O LYS A 45 6.621 3.513 -5.299 1.00 0.14 O ATOM 666 CB LYS A 45 6.103 2.856 -8.177 1.00 0.15 C ATOM 667 CG LYS A 45 6.150 2.308 -9.575 1.00 0.26 C ATOM 668 CD LYS A 45 7.359 2.803 -10.346 1.00 1.23 C ATOM 669 CE LYS A 45 7.227 2.481 -11.826 1.00 1.55 C ATOM 670 NZ LYS A 45 8.453 2.834 -12.582 1.00 1.95 N1+ ATOM 0 H LYS A 45 5.727 0.954 -6.677 1.00 0.10 H new ATOM 0 HA LYS A 45 8.068 2.106 -7.844 1.00 0.12 H new ATOM 0 HB2 LYS A 45 5.123 2.645 -7.748 1.00 0.15 H new ATOM 0 HB3 LYS A 45 6.206 3.940 -8.219 1.00 0.15 H new ATOM 0 HG2 LYS A 45 6.168 1.219 -9.536 1.00 0.26 H new ATOM 0 HG3 LYS A 45 5.242 2.593 -10.106 1.00 0.26 H new ATOM 0 HD2 LYS A 45 7.465 3.879 -10.212 1.00 1.23 H new ATOM 0 HD3 LYS A 45 8.263 2.342 -9.948 1.00 1.23 H new ATOM 0 HE2 LYS A 45 7.019 1.418 -11.949 1.00 1.55 H new ATOM 0 HE3 LYS A 45 6.377 3.023 -12.241 1.00 1.55 H new ATOM 0 HZ1 LYS A 45 8.211 2.991 -13.581 1.00 1.95 H new ATOM 0 HZ2 LYS A 45 8.868 3.701 -12.185 1.00 1.95 H new ATOM 0 HZ3 LYS A 45 9.141 2.057 -12.510 1.00 1.95 H new ATOM 684 N ASN A 46 8.524 3.920 -6.355 1.00 0.15 N ATOM 685 CA ASN A 46 9.095 4.734 -5.313 1.00 0.15 C ATOM 686 C ASN A 46 8.557 6.150 -5.393 1.00 0.14 C ATOM 687 O ASN A 46 8.657 6.929 -4.445 1.00 0.17 O ATOM 688 CB ASN A 46 10.606 4.698 -5.460 1.00 0.22 C ATOM 689 CG ASN A 46 11.316 4.858 -4.164 1.00 0.62 C ATOM 690 OD1 ASN A 46 11.597 3.738 -3.563 1.00 1.78 O flip ATOM 691 ND2 ASN A 46 11.623 5.960 -3.719 1.00 0.54 N flip ATOM 0 H ASN A 46 9.070 3.897 -7.216 1.00 0.15 H new ATOM 0 HA ASN A 46 8.821 4.347 -4.332 1.00 0.15 H new ATOM 0 HB2 ASN A 46 10.899 3.752 -5.915 1.00 0.22 H new ATOM 0 HB3 ASN A 46 10.919 5.490 -6.140 1.00 0.22 H new ATOM 0 HD21 ASN A 46 11.376 6.805 -4.234 1.00 0.54 H new ATOM 0 HD22 ASN A 46 12.125 6.031 -2.834 1.00 0.54 H new ATOM 698 N SER A 47 7.966 6.465 -6.530 1.00 0.14 N ATOM 699 CA SER A 47 7.363 7.763 -6.743 1.00 0.16 C ATOM 700 C SER A 47 6.028 7.862 -6.002 1.00 0.13 C ATOM 701 O SER A 47 5.637 8.934 -5.540 1.00 0.17 O ATOM 702 CB SER A 47 7.163 7.982 -8.240 1.00 0.21 C ATOM 703 OG SER A 47 8.338 7.636 -8.958 1.00 1.32 O ATOM 0 H SER A 47 7.892 5.832 -7.326 1.00 0.14 H new ATOM 0 HA SER A 47 8.022 8.537 -6.350 1.00 0.16 H new ATOM 0 HB2 SER A 47 6.325 7.380 -8.592 1.00 0.21 H new ATOM 0 HB3 SER A 47 6.909 9.025 -8.429 1.00 0.21 H new ATOM 0 HG SER A 47 8.191 7.781 -9.916 1.00 1.32 H new ATOM 709 N GLN A 48 5.338 6.731 -5.868 1.00 0.10 N ATOM 710 CA GLN A 48 4.039 6.708 -5.229 1.00 0.10 C ATOM 711 C GLN A 48 4.141 6.969 -3.747 1.00 0.09 C ATOM 712 O GLN A 48 3.161 7.339 -3.122 1.00 0.10 O ATOM 713 CB GLN A 48 3.372 5.366 -5.418 1.00 0.13 C ATOM 714 CG GLN A 48 3.441 4.799 -6.817 1.00 0.15 C ATOM 715 CD GLN A 48 3.224 5.823 -7.900 1.00 0.27 C ATOM 716 OE1 GLN A 48 4.163 6.426 -8.416 1.00 0.82 O ATOM 717 NE2 GLN A 48 1.972 6.023 -8.245 1.00 0.49 N ATOM 0 H GLN A 48 5.664 5.822 -6.196 1.00 0.10 H new ATOM 0 HA GLN A 48 3.450 7.496 -5.698 1.00 0.10 H new ATOM 0 HB2 GLN A 48 3.829 4.653 -4.732 1.00 0.13 H new ATOM 0 HB3 GLN A 48 2.324 5.457 -5.132 1.00 0.13 H new ATOM 0 HG2 GLN A 48 4.415 4.332 -6.962 1.00 0.15 H new ATOM 0 HG3 GLN A 48 2.692 4.013 -6.918 1.00 0.15 H new ATOM 0 HE21 GLN A 48 1.227 5.498 -7.788 1.00 0.49 H new ATOM 0 HE22 GLN A 48 1.745 6.703 -8.970 1.00 0.49 H new ATOM 726 N PHE A 49 5.322 6.769 -3.188 1.00 0.09 N ATOM 727 CA PHE A 49 5.519 6.871 -1.746 1.00 0.09 C ATOM 728 C PHE A 49 5.055 8.220 -1.203 1.00 0.11 C ATOM 729 O PHE A 49 4.742 8.350 -0.021 1.00 0.13 O ATOM 730 CB PHE A 49 6.977 6.672 -1.365 1.00 0.09 C ATOM 731 CG PHE A 49 7.528 5.304 -1.613 1.00 0.08 C ATOM 732 CD1 PHE A 49 8.739 4.894 -1.091 1.00 0.10 C ATOM 733 CD2 PHE A 49 6.817 4.432 -2.397 1.00 0.09 C ATOM 734 CE1 PHE A 49 9.225 3.624 -1.361 1.00 0.13 C ATOM 735 CE2 PHE A 49 7.286 3.175 -2.667 1.00 0.11 C ATOM 736 CZ PHE A 49 8.602 2.779 -1.992 1.00 0.07 C ATOM 0 H PHE A 49 6.165 6.534 -3.711 1.00 0.09 H new ATOM 0 HA PHE A 49 4.916 6.079 -1.303 1.00 0.09 H new ATOM 0 HB2 PHE A 49 7.580 7.393 -1.917 1.00 0.09 H new ATOM 0 HB3 PHE A 49 7.092 6.904 -0.306 1.00 0.09 H new ATOM 0 HD1 PHE A 49 9.311 5.567 -0.469 1.00 0.10 H new ATOM 0 HD2 PHE A 49 5.869 4.743 -2.809 1.00 0.09 H new ATOM 0 HE1 PHE A 49 10.207 3.365 -0.995 1.00 0.13 H new ATOM 0 HE2 PHE A 49 6.756 2.499 -3.321 1.00 0.11 H new ATOM 0 HZ PHE A 49 8.976 1.769 -2.071 1.00 0.07 H new ATOM 746 N ASP A 50 5.007 9.213 -2.077 1.00 0.11 N ATOM 747 CA ASP A 50 4.583 10.554 -1.704 1.00 0.15 C ATOM 748 C ASP A 50 3.079 10.567 -1.507 1.00 0.15 C ATOM 749 O ASP A 50 2.531 11.337 -0.721 1.00 0.20 O ATOM 750 CB ASP A 50 4.968 11.534 -2.806 1.00 0.19 C ATOM 751 CG ASP A 50 4.593 12.964 -2.473 1.00 0.29 C ATOM 752 OD1 ASP A 50 3.484 13.401 -2.852 1.00 0.41 O ATOM 753 OD2 ASP A 50 5.400 13.660 -1.822 1.00 0.36 O1- ATOM 0 H ASP A 50 5.259 9.114 -3.060 1.00 0.11 H new ATOM 0 HA ASP A 50 5.072 10.849 -0.776 1.00 0.15 H new ATOM 0 HB2 ASP A 50 6.042 11.475 -2.980 1.00 0.19 H new ATOM 0 HB3 ASP A 50 4.478 11.241 -3.735 1.00 0.19 H new ATOM 758 N LYS A 51 2.433 9.674 -2.225 1.00 0.11 N ATOM 759 CA LYS A 51 0.995 9.535 -2.206 1.00 0.11 C ATOM 760 C LYS A 51 0.584 8.480 -1.207 1.00 0.10 C ATOM 761 O LYS A 51 -0.544 8.032 -1.221 1.00 0.11 O ATOM 762 CB LYS A 51 0.495 9.130 -3.572 1.00 0.13 C ATOM 763 CG LYS A 51 1.477 9.388 -4.675 1.00 0.14 C ATOM 764 CD LYS A 51 0.834 10.147 -5.792 1.00 0.49 C ATOM 765 CE LYS A 51 1.804 10.389 -6.925 1.00 0.45 C ATOM 766 NZ LYS A 51 2.823 11.424 -6.598 1.00 1.47 N1+ ATOM 0 H LYS A 51 2.900 9.015 -2.847 1.00 0.11 H new ATOM 0 HA LYS A 51 0.563 10.495 -1.924 1.00 0.11 H new ATOM 0 HB2 LYS A 51 0.248 8.068 -3.559 1.00 0.13 H new ATOM 0 HB3 LYS A 51 -0.428 9.669 -3.786 1.00 0.13 H new ATOM 0 HG2 LYS A 51 2.326 9.952 -4.288 1.00 0.14 H new ATOM 0 HG3 LYS A 51 1.867 8.442 -5.050 1.00 0.14 H new ATOM 0 HD2 LYS A 51 -0.028 9.592 -6.162 1.00 0.49 H new ATOM 0 HD3 LYS A 51 0.463 11.101 -5.419 1.00 0.49 H new ATOM 0 HE2 LYS A 51 2.308 9.455 -7.172 1.00 0.45 H new ATOM 0 HE3 LYS A 51 1.251 10.697 -7.812 1.00 0.45 H new ATOM 0 HZ1 LYS A 51 3.452 11.563 -7.415 1.00 1.47 H new ATOM 0 HZ2 LYS A 51 2.347 12.320 -6.371 1.00 1.47 H new ATOM 0 HZ3 LYS A 51 3.383 11.113 -5.779 1.00 1.47 H new ATOM 780 N LEU A 52 1.510 8.016 -0.394 1.00 0.09 N ATOM 781 CA LEU A 52 1.171 7.049 0.631 1.00 0.08 C ATOM 782 C LEU A 52 0.259 7.679 1.678 1.00 0.09 C ATOM 783 O LEU A 52 -0.667 7.043 2.173 1.00 0.09 O ATOM 784 CB LEU A 52 2.431 6.499 1.278 1.00 0.08 C ATOM 785 CG LEU A 52 2.317 5.098 1.844 1.00 0.08 C ATOM 786 CD1 LEU A 52 2.446 5.148 3.338 1.00 0.07 C ATOM 787 CD2 LEU A 52 1.020 4.417 1.426 1.00 0.08 C ATOM 0 H LEU A 52 2.493 8.288 -0.421 1.00 0.09 H new ATOM 0 HA LEU A 52 0.636 6.222 0.164 1.00 0.08 H new ATOM 0 HB2 LEU A 52 3.232 6.509 0.539 1.00 0.08 H new ATOM 0 HB3 LEU A 52 2.730 7.173 2.081 1.00 0.08 H new ATOM 0 HG LEU A 52 3.129 4.497 1.435 1.00 0.08 H new ATOM 0 HD11 LEU A 52 2.364 4.140 3.744 1.00 0.07 H new ATOM 0 HD12 LEU A 52 3.415 5.569 3.606 1.00 0.07 H new ATOM 0 HD13 LEU A 52 1.653 5.771 3.751 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.981 3.415 1.854 1.00 0.08 H new ATOM 0 HD22 LEU A 52 0.171 4.999 1.785 1.00 0.08 H new ATOM 0 HD23 LEU A 52 0.979 4.349 0.339 1.00 0.08 H new ATOM 799 N SER A 53 0.509 8.937 2.001 1.00 0.10 N ATOM 800 CA SER A 53 -0.388 9.681 2.868 1.00 0.11 C ATOM 801 C SER A 53 -1.676 9.971 2.108 1.00 0.11 C ATOM 802 O SER A 53 -2.730 10.220 2.694 1.00 0.13 O ATOM 803 CB SER A 53 0.277 10.978 3.331 1.00 0.14 C ATOM 804 OG SER A 53 -0.439 11.573 4.397 1.00 1.25 O ATOM 0 H SER A 53 1.322 9.462 1.678 1.00 0.10 H new ATOM 0 HA SER A 53 -0.620 9.092 3.755 1.00 0.11 H new ATOM 0 HB2 SER A 53 1.299 10.772 3.648 1.00 0.14 H new ATOM 0 HB3 SER A 53 0.337 11.676 2.496 1.00 0.14 H new ATOM 0 HG SER A 53 0.011 12.399 4.672 1.00 1.25 H new ATOM 810 N GLN A 54 -1.574 9.902 0.789 1.00 0.10 N ATOM 811 CA GLN A 54 -2.709 10.028 -0.088 1.00 0.11 C ATOM 812 C GLN A 54 -3.483 8.715 -0.127 1.00 0.09 C ATOM 813 O GLN A 54 -4.695 8.698 -0.197 1.00 0.10 O ATOM 814 CB GLN A 54 -2.239 10.383 -1.472 1.00 0.12 C ATOM 815 CG GLN A 54 -3.363 10.599 -2.447 1.00 0.17 C ATOM 816 CD GLN A 54 -3.407 12.004 -2.990 1.00 0.69 C ATOM 817 OE1 GLN A 54 -4.040 12.890 -2.416 1.00 1.24 O ATOM 818 NE2 GLN A 54 -2.759 12.207 -4.116 1.00 0.70 N ATOM 0 H GLN A 54 -0.690 9.756 0.302 1.00 0.10 H new ATOM 0 HA GLN A 54 -3.364 10.816 0.284 1.00 0.11 H new ATOM 0 HB2 GLN A 54 -1.633 11.288 -1.421 1.00 0.12 H new ATOM 0 HB3 GLN A 54 -1.593 9.587 -1.844 1.00 0.12 H new ATOM 0 HG2 GLN A 54 -3.259 9.898 -3.275 1.00 0.17 H new ATOM 0 HG3 GLN A 54 -4.310 10.375 -1.957 1.00 0.17 H new ATOM 0 HE21 GLN A 54 -2.248 11.441 -4.555 1.00 0.70 H new ATOM 0 HE22 GLN A 54 -2.768 13.130 -4.550 1.00 0.70 H new ATOM 827 N LEU A 55 -2.752 7.618 -0.090 1.00 0.08 N ATOM 828 CA LEU A 55 -3.310 6.292 -0.003 1.00 0.07 C ATOM 829 C LEU A 55 -3.964 6.129 1.350 1.00 0.07 C ATOM 830 O LEU A 55 -4.919 5.380 1.517 1.00 0.08 O ATOM 831 CB LEU A 55 -2.181 5.288 -0.206 1.00 0.06 C ATOM 832 CG LEU A 55 -2.498 4.089 -1.088 1.00 0.06 C ATOM 833 CD1 LEU A 55 -3.039 2.946 -0.256 1.00 0.06 C ATOM 834 CD2 LEU A 55 -3.484 4.469 -2.181 1.00 0.10 C ATOM 0 H LEU A 55 -1.733 7.629 -0.120 1.00 0.08 H new ATOM 0 HA LEU A 55 -4.068 6.124 -0.768 1.00 0.07 H new ATOM 0 HB2 LEU A 55 -1.328 5.814 -0.636 1.00 0.06 H new ATOM 0 HB3 LEU A 55 -1.869 4.921 0.772 1.00 0.06 H new ATOM 0 HG LEU A 55 -1.574 3.761 -1.563 1.00 0.06 H new ATOM 0 HD11 LEU A 55 -3.260 2.097 -0.903 1.00 0.06 H new ATOM 0 HD12 LEU A 55 -2.296 2.653 0.486 1.00 0.06 H new ATOM 0 HD13 LEU A 55 -3.951 3.264 0.250 1.00 0.06 H new ATOM 0 HD21 LEU A 55 -3.696 3.597 -2.799 1.00 0.10 H new ATOM 0 HD22 LEU A 55 -4.409 4.826 -1.728 1.00 0.10 H new ATOM 0 HD23 LEU A 55 -3.055 5.257 -2.800 1.00 0.10 H new ATOM 846 N LYS A 56 -3.455 6.887 2.307 1.00 0.07 N ATOM 847 CA LYS A 56 -4.046 6.949 3.628 1.00 0.08 C ATOM 848 C LYS A 56 -5.242 7.866 3.575 1.00 0.09 C ATOM 849 O LYS A 56 -6.171 7.777 4.365 1.00 0.12 O ATOM 850 CB LYS A 56 -3.030 7.480 4.638 1.00 0.10 C ATOM 851 CG LYS A 56 -3.450 7.307 6.087 1.00 0.11 C ATOM 852 CD LYS A 56 -4.442 6.171 6.247 1.00 0.11 C ATOM 853 CE LYS A 56 -4.503 5.670 7.683 1.00 0.20 C ATOM 854 NZ LYS A 56 -4.905 6.735 8.637 1.00 0.82 N1+ ATOM 0 H LYS A 56 -2.627 7.471 2.189 1.00 0.07 H new ATOM 0 HA LYS A 56 -4.352 5.951 3.941 1.00 0.08 H new ATOM 0 HB2 LYS A 56 -2.079 6.971 4.483 1.00 0.10 H new ATOM 0 HB3 LYS A 56 -2.860 8.539 4.444 1.00 0.10 H new ATOM 0 HG2 LYS A 56 -2.571 7.112 6.701 1.00 0.11 H new ATOM 0 HG3 LYS A 56 -3.894 8.233 6.451 1.00 0.11 H new ATOM 0 HD2 LYS A 56 -5.432 6.507 5.937 1.00 0.11 H new ATOM 0 HD3 LYS A 56 -4.163 5.349 5.587 1.00 0.11 H new ATOM 0 HE2 LYS A 56 -5.210 4.843 7.747 1.00 0.20 H new ATOM 0 HE3 LYS A 56 -3.527 5.278 7.970 1.00 0.20 H new ATOM 0 HZ1 LYS A 56 -5.047 6.321 9.580 1.00 0.82 H new ATOM 0 HZ2 LYS A 56 -4.159 7.458 8.685 1.00 0.82 H new ATOM 0 HZ3 LYS A 56 -5.791 7.174 8.314 1.00 0.82 H new ATOM 868 N THR A 57 -5.187 8.733 2.608 1.00 0.09 N ATOM 869 CA THR A 57 -6.215 9.696 2.355 1.00 0.10 C ATOM 870 C THR A 57 -7.380 9.041 1.635 1.00 0.09 C ATOM 871 O THR A 57 -8.536 9.352 1.885 1.00 0.11 O ATOM 872 CB THR A 57 -5.639 10.848 1.523 1.00 0.11 C ATOM 873 OG1 THR A 57 -5.479 12.029 2.312 1.00 0.14 O ATOM 874 CG2 THR A 57 -6.464 11.130 0.290 1.00 0.12 C ATOM 0 H THR A 57 -4.404 8.791 1.956 1.00 0.09 H new ATOM 0 HA THR A 57 -6.583 10.094 3.301 1.00 0.10 H new ATOM 0 HB THR A 57 -4.653 10.529 1.184 1.00 0.11 H new ATOM 0 HG1 THR A 57 -5.109 12.746 1.756 1.00 0.14 H new ATOM 0 HG21 THR A 57 -6.017 11.953 -0.267 1.00 0.12 H new ATOM 0 HG22 THR A 57 -6.494 10.240 -0.339 1.00 0.12 H new ATOM 0 HG23 THR A 57 -7.478 11.400 0.585 1.00 0.12 H new ATOM 882 N LEU A 58 -7.053 8.149 0.724 1.00 0.09 N ATOM 883 CA LEU A 58 -8.029 7.375 0.021 1.00 0.09 C ATOM 884 C LEU A 58 -8.590 6.310 0.926 1.00 0.09 C ATOM 885 O LEU A 58 -9.771 6.025 0.893 1.00 0.12 O ATOM 886 CB LEU A 58 -7.345 6.806 -1.190 1.00 0.11 C ATOM 887 CG LEU A 58 -6.802 7.884 -2.105 1.00 0.11 C ATOM 888 CD1 LEU A 58 -5.644 7.343 -2.912 1.00 0.13 C ATOM 889 CD2 LEU A 58 -7.916 8.418 -2.989 1.00 0.16 C ATOM 0 H LEU A 58 -6.090 7.946 0.455 1.00 0.09 H new ATOM 0 HA LEU A 58 -8.878 7.980 -0.297 1.00 0.09 H new ATOM 0 HB2 LEU A 58 -6.528 6.158 -0.872 1.00 0.11 H new ATOM 0 HB3 LEU A 58 -8.049 6.184 -1.743 1.00 0.11 H new ATOM 0 HG LEU A 58 -6.424 8.717 -1.512 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -5.260 8.125 -3.567 1.00 0.13 H new ATOM 0 HD12 LEU A 58 -4.853 7.014 -2.238 1.00 0.13 H new ATOM 0 HD13 LEU A 58 -5.982 6.500 -3.514 1.00 0.13 H new ATOM 0 HD21 LEU A 58 -7.520 9.193 -3.645 1.00 0.16 H new ATOM 0 HD22 LEU A 58 -8.323 7.606 -3.591 1.00 0.16 H new ATOM 0 HD23 LEU A 58 -8.705 8.839 -2.366 1.00 0.16 H new ATOM 901 N LEU A 59 -7.735 5.748 1.754 1.00 0.07 N ATOM 902 CA LEU A 59 -8.176 4.883 2.831 1.00 0.07 C ATOM 903 C LEU A 59 -9.027 5.691 3.803 1.00 0.09 C ATOM 904 O LEU A 59 -9.987 5.194 4.357 1.00 0.11 O ATOM 905 CB LEU A 59 -6.956 4.318 3.545 1.00 0.07 C ATOM 906 CG LEU A 59 -7.159 2.991 4.265 1.00 0.08 C ATOM 907 CD1 LEU A 59 -7.169 3.198 5.738 1.00 0.09 C ATOM 908 CD2 LEU A 59 -8.452 2.345 3.868 1.00 0.08 C ATOM 0 H LEU A 59 -6.724 5.875 1.702 1.00 0.07 H new ATOM 0 HA LEU A 59 -8.771 4.061 2.435 1.00 0.07 H new ATOM 0 HB2 LEU A 59 -6.157 4.194 2.814 1.00 0.07 H new ATOM 0 HB3 LEU A 59 -6.612 5.054 4.272 1.00 0.07 H new ATOM 0 HG LEU A 59 -6.332 2.340 3.981 1.00 0.08 H new ATOM 0 HD11 LEU A 59 -7.315 2.241 6.239 1.00 0.09 H new ATOM 0 HD12 LEU A 59 -6.219 3.630 6.051 1.00 0.09 H new ATOM 0 HD13 LEU A 59 -7.981 3.875 6.005 1.00 0.09 H new ATOM 0 HD21 LEU A 59 -8.565 1.400 4.400 1.00 0.08 H new ATOM 0 HD22 LEU A 59 -9.281 3.006 4.121 1.00 0.08 H new ATOM 0 HD23 LEU A 59 -8.451 2.159 2.794 1.00 0.08 H new ATOM 920 N ASP A 60 -8.652 6.940 4.004 1.00 0.09 N ATOM 921 CA ASP A 60 -9.475 7.899 4.750 1.00 0.11 C ATOM 922 C ASP A 60 -10.822 8.028 4.078 1.00 0.12 C ATOM 923 O ASP A 60 -11.833 8.339 4.697 1.00 0.16 O ATOM 924 CB ASP A 60 -8.846 9.288 4.725 1.00 0.17 C ATOM 925 CG ASP A 60 -9.144 10.140 5.941 1.00 0.42 C ATOM 926 OD1 ASP A 60 -8.187 10.568 6.622 1.00 0.66 O ATOM 927 OD2 ASP A 60 -10.328 10.427 6.197 1.00 0.66 O1- ATOM 0 H ASP A 60 -7.773 7.327 3.660 1.00 0.09 H new ATOM 0 HA ASP A 60 -9.561 7.537 5.774 1.00 0.11 H new ATOM 0 HB2 ASP A 60 -7.766 9.181 4.629 1.00 0.17 H new ATOM 0 HB3 ASP A 60 -9.194 9.814 3.836 1.00 0.17 H new ATOM 932 N LYS A 61 -10.810 7.826 2.783 1.00 0.12 N ATOM 933 CA LYS A 61 -12.019 7.879 2.005 1.00 0.14 C ATOM 934 C LYS A 61 -12.803 6.607 2.189 1.00 0.12 C ATOM 935 O LYS A 61 -14.005 6.546 1.966 1.00 0.17 O ATOM 936 CB LYS A 61 -11.682 8.121 0.546 1.00 0.19 C ATOM 937 CG LYS A 61 -10.966 9.429 0.359 1.00 0.25 C ATOM 938 CD LYS A 61 -11.081 9.954 -1.063 1.00 0.39 C ATOM 939 CE LYS A 61 -12.505 10.379 -1.387 1.00 1.20 C ATOM 940 NZ LYS A 61 -12.633 10.882 -2.777 1.00 1.92 N1+ ATOM 0 H LYS A 61 -9.968 7.622 2.244 1.00 0.12 H new ATOM 0 HA LYS A 61 -12.640 8.707 2.348 1.00 0.14 H new ATOM 0 HB2 LYS A 61 -11.059 7.307 0.175 1.00 0.19 H new ATOM 0 HB3 LYS A 61 -12.597 8.117 -0.046 1.00 0.19 H new ATOM 0 HG2 LYS A 61 -11.375 10.166 1.050 1.00 0.25 H new ATOM 0 HG3 LYS A 61 -9.913 9.304 0.613 1.00 0.25 H new ATOM 0 HD2 LYS A 61 -10.408 10.802 -1.194 1.00 0.39 H new ATOM 0 HD3 LYS A 61 -10.762 9.182 -1.764 1.00 0.39 H new ATOM 0 HE2 LYS A 61 -13.177 9.533 -1.245 1.00 1.20 H new ATOM 0 HE3 LYS A 61 -12.819 11.156 -0.690 1.00 1.20 H new ATOM 0 HZ1 LYS A 61 -13.493 11.462 -2.859 1.00 1.92 H new ATOM 0 HZ2 LYS A 61 -11.802 11.460 -3.015 1.00 1.92 H new ATOM 0 HZ3 LYS A 61 -12.695 10.077 -3.433 1.00 1.92 H new ATOM 954 N LEU A 62 -12.107 5.615 2.667 1.00 0.10 N ATOM 955 CA LEU A 62 -12.711 4.339 2.981 1.00 0.11 C ATOM 956 C LEU A 62 -13.158 4.383 4.411 1.00 0.12 C ATOM 957 O LEU A 62 -14.015 3.619 4.838 1.00 0.14 O ATOM 958 CB LEU A 62 -11.739 3.171 2.778 1.00 0.11 C ATOM 959 CG LEU A 62 -11.554 2.711 1.336 1.00 0.11 C ATOM 960 CD1 LEU A 62 -12.754 3.094 0.526 1.00 0.13 C ATOM 961 CD2 LEU A 62 -10.310 3.278 0.713 1.00 0.11 C ATOM 0 H LEU A 62 -11.105 5.662 2.852 1.00 0.10 H new ATOM 0 HA LEU A 62 -13.551 4.172 2.307 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -10.766 3.458 3.177 1.00 0.11 H new ATOM 0 HB3 LEU A 62 -12.088 2.324 3.369 1.00 0.11 H new ATOM 0 HG LEU A 62 -11.444 1.627 1.347 1.00 0.11 H new ATOM 0 HD11 LEU A 62 -12.618 2.764 -0.504 1.00 0.13 H new ATOM 0 HD12 LEU A 62 -13.642 2.621 0.945 1.00 0.13 H new ATOM 0 HD13 LEU A 62 -12.876 4.177 0.547 1.00 0.13 H new ATOM 0 HD21 LEU A 62 -10.222 2.922 -0.313 1.00 0.11 H new ATOM 0 HD22 LEU A 62 -10.365 4.367 0.716 1.00 0.11 H new ATOM 0 HD23 LEU A 62 -9.439 2.958 1.284 1.00 0.11 H new ATOM 973 N GLU A 63 -12.514 5.268 5.145 1.00 0.11 N ATOM 974 CA GLU A 63 -12.837 5.524 6.528 1.00 0.14 C ATOM 975 C GLU A 63 -14.327 5.686 6.746 1.00 0.16 C ATOM 976 O GLU A 63 -14.993 6.464 6.058 1.00 0.20 O ATOM 977 CB GLU A 63 -12.107 6.757 7.023 1.00 0.16 C ATOM 978 CG GLU A 63 -10.783 6.445 7.685 1.00 0.17 C ATOM 979 CD GLU A 63 -10.156 7.629 8.385 1.00 0.85 C ATOM 980 OE1 GLU A 63 -8.951 7.861 8.185 1.00 1.29 O ATOM 981 OE2 GLU A 63 -10.856 8.315 9.159 1.00 1.75 O1- ATOM 0 H GLU A 63 -11.743 5.834 4.791 1.00 0.11 H new ATOM 0 HA GLU A 63 -12.511 4.655 7.099 1.00 0.14 H new ATOM 0 HB2 GLU A 63 -11.935 7.430 6.183 1.00 0.16 H new ATOM 0 HB3 GLU A 63 -12.743 7.287 7.732 1.00 0.16 H new ATOM 0 HG2 GLU A 63 -10.929 5.643 8.409 1.00 0.17 H new ATOM 0 HG3 GLU A 63 -10.090 6.072 6.931 1.00 0.17 H new ATOM 988 N GLY A 64 -14.840 4.939 7.703 1.00 0.18 N ATOM 989 CA GLY A 64 -16.250 4.969 7.983 1.00 0.20 C ATOM 990 C GLY A 64 -16.988 3.892 7.223 1.00 0.20 C ATOM 991 O GLY A 64 -18.114 3.525 7.569 1.00 0.26 O ATOM 0 H GLY A 64 -14.299 4.308 8.294 1.00 0.18 H new ATOM 0 HA2 GLY A 64 -16.413 4.837 9.053 1.00 0.20 H new ATOM 0 HA3 GLY A 64 -16.654 5.946 7.717 1.00 0.20 H new ATOM 995 N SER A 65 -16.341 3.371 6.192 1.00 0.16 N ATOM 996 CA SER A 65 -16.926 2.328 5.365 1.00 0.16 C ATOM 997 C SER A 65 -16.215 1.013 5.648 1.00 0.18 C ATOM 998 O SER A 65 -15.091 1.003 6.133 1.00 0.25 O ATOM 999 CB SER A 65 -16.799 2.708 3.883 1.00 0.19 C ATOM 1000 OG SER A 65 -17.126 4.073 3.684 1.00 0.27 O ATOM 0 H SER A 65 -15.404 3.656 5.907 1.00 0.16 H new ATOM 0 HA SER A 65 -17.985 2.216 5.599 1.00 0.16 H new ATOM 0 HB2 SER A 65 -15.782 2.519 3.540 1.00 0.19 H new ATOM 0 HB3 SER A 65 -17.459 2.080 3.284 1.00 0.19 H new ATOM 0 HG SER A 65 -17.952 4.285 4.167 1.00 0.27 H new ATOM 1006 N ARG A 66 -16.880 -0.089 5.368 1.00 0.21 N ATOM 1007 CA ARG A 66 -16.320 -1.415 5.602 1.00 0.22 C ATOM 1008 C ARG A 66 -15.093 -1.677 4.744 1.00 0.21 C ATOM 1009 O ARG A 66 -14.210 -2.445 5.118 1.00 0.24 O ATOM 1010 CB ARG A 66 -17.366 -2.468 5.319 1.00 0.26 C ATOM 1011 CG ARG A 66 -18.047 -2.267 3.989 1.00 0.47 C ATOM 1012 CD ARG A 66 -18.858 -3.484 3.620 1.00 0.47 C ATOM 1013 NE ARG A 66 -19.732 -3.907 4.714 1.00 1.46 N ATOM 1014 CZ ARG A 66 -20.058 -5.176 4.960 1.00 1.87 C ATOM 1015 NH1 ARG A 66 -19.633 -6.143 4.157 1.00 1.50 N1+ ATOM 1016 NH2 ARG A 66 -20.822 -5.474 6.003 1.00 3.05 N ATOM 0 H ARG A 66 -17.820 -0.097 4.973 1.00 0.21 H new ATOM 0 HA ARG A 66 -16.012 -1.461 6.647 1.00 0.22 H new ATOM 0 HB2 ARG A 66 -16.899 -3.453 5.339 1.00 0.26 H new ATOM 0 HB3 ARG A 66 -18.114 -2.454 6.112 1.00 0.26 H new ATOM 0 HG2 ARG A 66 -18.695 -1.391 4.034 1.00 0.47 H new ATOM 0 HG3 ARG A 66 -17.301 -2.072 3.218 1.00 0.47 H new ATOM 0 HD2 ARG A 66 -19.460 -3.266 2.738 1.00 0.47 H new ATOM 0 HD3 ARG A 66 -18.187 -4.301 3.354 1.00 0.47 H new ATOM 0 HE ARG A 66 -20.116 -3.187 5.326 1.00 1.46 H new ATOM 0 HH11 ARG A 66 -19.055 -5.917 3.348 1.00 1.50 H new ATOM 0 HH12 ARG A 66 -19.885 -7.113 4.349 1.00 1.50 H new ATOM 0 HH21 ARG A 66 -21.160 -4.732 6.616 1.00 3.05 H new ATOM 0 HH22 ARG A 66 -21.072 -6.445 6.192 1.00 3.05 H new ATOM 1030 N GLU A 67 -15.050 -1.031 3.594 1.00 0.19 N ATOM 1031 CA GLU A 67 -13.950 -1.146 2.680 1.00 0.18 C ATOM 1032 C GLU A 67 -12.673 -0.710 3.315 1.00 0.15 C ATOM 1033 O GLU A 67 -11.622 -1.263 3.058 1.00 0.14 O ATOM 1034 CB GLU A 67 -14.270 -0.309 1.496 1.00 0.19 C ATOM 1035 CG GLU A 67 -14.728 -1.144 0.363 1.00 0.33 C ATOM 1036 CD GLU A 67 -16.055 -1.805 0.639 1.00 1.54 C ATOM 1037 OE1 GLU A 67 -16.082 -3.036 0.843 1.00 1.70 O ATOM 1038 OE2 GLU A 67 -17.070 -1.089 0.671 1.00 2.51 O1- ATOM 0 H GLU A 67 -15.790 -0.407 3.273 1.00 0.19 H new ATOM 0 HA GLU A 67 -13.810 -2.186 2.385 1.00 0.18 H new ATOM 0 HB2 GLU A 67 -15.044 0.414 1.756 1.00 0.19 H new ATOM 0 HB3 GLU A 67 -13.389 0.260 1.200 1.00 0.19 H new ATOM 0 HG2 GLU A 67 -14.812 -0.526 -0.531 1.00 0.33 H new ATOM 0 HG3 GLU A 67 -13.980 -1.909 0.153 1.00 0.33 H new ATOM 1045 N HIS A 68 -12.807 0.284 4.145 1.00 0.14 N ATOM 1046 CA HIS A 68 -11.727 0.778 4.977 1.00 0.13 C ATOM 1047 C HIS A 68 -10.925 -0.329 5.574 1.00 0.14 C ATOM 1048 O HIS A 68 -9.738 -0.253 5.622 1.00 0.13 O ATOM 1049 CB HIS A 68 -12.272 1.565 6.127 1.00 0.15 C ATOM 1050 CG HIS A 68 -11.213 2.328 6.807 1.00 0.15 C ATOM 1051 ND1 HIS A 68 -10.524 3.364 6.354 1.00 0.17 N flip ATOM 1052 CD2 HIS A 68 -10.709 2.043 8.047 1.00 0.14 C flip ATOM 1053 CE1 HIS A 68 -9.615 3.707 7.301 1.00 0.17 C flip ATOM 1054 NE2 HIS A 68 -9.742 2.896 8.311 1.00 0.15 N flip ATOM 0 H HIS A 68 -13.684 0.790 4.271 1.00 0.14 H new ATOM 0 HA HIS A 68 -11.101 1.388 4.325 1.00 0.13 H new ATOM 0 HB2 HIS A 68 -13.042 2.248 5.769 1.00 0.15 H new ATOM 0 HB3 HIS A 68 -12.750 0.890 6.838 1.00 0.15 H new ATOM 0 HD1 HIS A 68 -10.654 3.823 5.452 1.00 0.17 H new ATOM 0 HD2 HIS A 68 -11.048 1.252 8.699 1.00 0.14 H new ATOM 0 HE1 HIS A 68 -8.905 4.517 7.229 1.00 0.17 H new ATOM 1063 N THR A 69 -11.599 -1.313 6.073 1.00 0.15 N ATOM 1064 CA THR A 69 -10.959 -2.458 6.684 1.00 0.16 C ATOM 1065 C THR A 69 -9.991 -3.110 5.730 1.00 0.15 C ATOM 1066 O THR A 69 -8.808 -3.292 6.002 1.00 0.15 O ATOM 1067 CB THR A 69 -12.017 -3.485 6.985 1.00 0.19 C ATOM 1068 OG1 THR A 69 -12.949 -2.994 7.955 1.00 0.22 O ATOM 1069 CG2 THR A 69 -11.390 -4.784 7.430 1.00 0.21 C ATOM 0 H THR A 69 -12.618 -1.356 6.074 1.00 0.15 H new ATOM 0 HA THR A 69 -10.433 -2.120 7.577 1.00 0.16 H new ATOM 0 HB THR A 69 -12.572 -3.681 6.068 1.00 0.19 H new ATOM 0 HG1 THR A 69 -13.627 -3.679 8.133 1.00 0.22 H new ATOM 0 HG21 THR A 69 -12.173 -5.512 7.642 1.00 0.21 H new ATOM 0 HG22 THR A 69 -10.744 -5.166 6.639 1.00 0.21 H new ATOM 0 HG23 THR A 69 -10.799 -4.613 8.330 1.00 0.21 H new ATOM 1077 N LEU A 70 -10.556 -3.416 4.603 1.00 0.15 N ATOM 1078 CA LEU A 70 -9.930 -4.135 3.542 1.00 0.16 C ATOM 1079 C LEU A 70 -8.830 -3.297 3.030 1.00 0.13 C ATOM 1080 O LEU A 70 -7.701 -3.722 2.869 1.00 0.12 O ATOM 1081 CB LEU A 70 -11.033 -4.396 2.495 1.00 0.18 C ATOM 1082 CG LEU A 70 -10.641 -4.601 1.027 1.00 0.20 C ATOM 1083 CD1 LEU A 70 -10.473 -3.268 0.307 1.00 0.19 C ATOM 1084 CD2 LEU A 70 -9.396 -5.461 0.923 1.00 0.21 C ATOM 0 H LEU A 70 -11.519 -3.156 4.389 1.00 0.15 H new ATOM 0 HA LEU A 70 -9.499 -5.091 3.840 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -11.584 -5.281 2.813 1.00 0.18 H new ATOM 0 HB3 LEU A 70 -11.727 -3.557 2.534 1.00 0.18 H new ATOM 0 HG LEU A 70 -11.452 -5.131 0.527 1.00 0.20 H new ATOM 0 HD11 LEU A 70 -10.195 -3.448 -0.732 1.00 0.19 H new ATOM 0 HD12 LEU A 70 -11.412 -2.715 0.341 1.00 0.19 H new ATOM 0 HD13 LEU A 70 -9.692 -2.686 0.796 1.00 0.19 H new ATOM 0 HD21 LEU A 70 -9.133 -5.595 -0.126 1.00 0.21 H new ATOM 0 HD22 LEU A 70 -8.572 -4.973 1.444 1.00 0.21 H new ATOM 0 HD23 LEU A 70 -9.587 -6.434 1.377 1.00 0.21 H new ATOM 1096 N ALA A 71 -9.185 -2.079 2.891 1.00 0.11 N ATOM 1097 CA ALA A 71 -8.370 -1.118 2.269 1.00 0.09 C ATOM 1098 C ALA A 71 -7.348 -0.572 3.228 1.00 0.07 C ATOM 1099 O ALA A 71 -6.352 -0.038 2.818 1.00 0.06 O ATOM 1100 CB ALA A 71 -9.264 -0.050 1.731 1.00 0.10 C ATOM 0 H ALA A 71 -10.079 -1.714 3.218 1.00 0.11 H new ATOM 0 HA ALA A 71 -7.804 -1.565 1.452 1.00 0.09 H new ATOM 0 HB1 ALA A 71 -8.662 0.715 1.240 1.00 0.10 H new ATOM 0 HB2 ALA A 71 -9.957 -0.484 1.011 1.00 0.10 H new ATOM 0 HB3 ALA A 71 -9.826 0.400 2.549 1.00 0.10 H new ATOM 1106 N LYS A 72 -7.602 -0.705 4.506 1.00 0.08 N ATOM 1107 CA LYS A 72 -6.640 -0.396 5.504 1.00 0.09 C ATOM 1108 C LYS A 72 -5.685 -1.520 5.524 1.00 0.10 C ATOM 1109 O LYS A 72 -4.498 -1.354 5.729 1.00 0.10 O ATOM 1110 CB LYS A 72 -7.298 -0.293 6.841 1.00 0.11 C ATOM 1111 CG LYS A 72 -6.325 0.048 7.918 1.00 0.14 C ATOM 1112 CD LYS A 72 -6.967 0.941 8.935 1.00 0.17 C ATOM 1113 CE LYS A 72 -6.246 0.883 10.275 1.00 0.22 C ATOM 1114 NZ LYS A 72 -4.835 1.350 10.174 1.00 1.35 N1+ ATOM 0 H LYS A 72 -8.494 -1.035 4.874 1.00 0.08 H new ATOM 0 HA LYS A 72 -6.149 0.553 5.289 1.00 0.09 H new ATOM 0 HB2 LYS A 72 -8.078 0.467 6.803 1.00 0.11 H new ATOM 0 HB3 LYS A 72 -7.785 -1.238 7.079 1.00 0.11 H new ATOM 0 HG2 LYS A 72 -5.969 -0.864 8.398 1.00 0.14 H new ATOM 0 HG3 LYS A 72 -5.454 0.543 7.488 1.00 0.14 H new ATOM 0 HD2 LYS A 72 -6.969 1.967 8.568 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -8.008 0.648 9.070 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -6.780 1.498 11.000 1.00 0.22 H new ATOM 0 HE3 LYS A 72 -6.263 -0.140 10.651 1.00 0.22 H new ATOM 0 HZ1 LYS A 72 -4.409 1.374 11.122 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 -4.296 0.698 9.568 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 -4.814 2.304 9.761 1.00 1.35 H new ATOM 1128 N SER A 73 -6.232 -2.683 5.282 1.00 0.10 N ATOM 1129 CA SER A 73 -5.414 -3.850 5.226 1.00 0.12 C ATOM 1130 C SER A 73 -4.630 -3.870 3.919 1.00 0.11 C ATOM 1131 O SER A 73 -3.629 -4.571 3.799 1.00 0.13 O ATOM 1132 CB SER A 73 -6.235 -5.129 5.404 1.00 0.16 C ATOM 1133 OG SER A 73 -6.956 -5.100 6.625 1.00 1.18 O ATOM 0 H SER A 73 -7.227 -2.839 5.123 1.00 0.10 H new ATOM 0 HA SER A 73 -4.709 -3.814 6.057 1.00 0.12 H new ATOM 0 HB2 SER A 73 -6.928 -5.240 4.570 1.00 0.16 H new ATOM 0 HB3 SER A 73 -5.574 -5.996 5.387 1.00 0.16 H new ATOM 0 HG SER A 73 -7.804 -4.626 6.493 1.00 1.18 H new ATOM 1139 N LYS A 74 -5.101 -3.096 2.940 1.00 0.09 N ATOM 1140 CA LYS A 74 -4.365 -2.856 1.725 1.00 0.08 C ATOM 1141 C LYS A 74 -3.384 -1.753 1.942 1.00 0.06 C ATOM 1142 O LYS A 74 -2.193 -1.890 1.712 1.00 0.05 O ATOM 1143 CB LYS A 74 -5.319 -2.449 0.648 1.00 0.08 C ATOM 1144 CG LYS A 74 -6.346 -3.496 0.393 1.00 0.10 C ATOM 1145 CD LYS A 74 -7.367 -2.977 -0.541 1.00 0.12 C ATOM 1146 CE LYS A 74 -7.014 -3.397 -1.921 1.00 0.22 C ATOM 1147 NZ LYS A 74 -7.268 -4.839 -2.175 1.00 1.02 N1+ ATOM 0 H LYS A 74 -6.004 -2.624 2.979 1.00 0.09 H new ATOM 0 HA LYS A 74 -3.837 -3.765 1.436 1.00 0.08 H new ATOM 0 HB2 LYS A 74 -5.811 -1.519 0.931 1.00 0.08 H new ATOM 0 HB3 LYS A 74 -4.767 -2.251 -0.271 1.00 0.08 H new ATOM 0 HG2 LYS A 74 -5.876 -4.386 -0.025 1.00 0.10 H new ATOM 0 HG3 LYS A 74 -6.815 -3.794 1.330 1.00 0.10 H new ATOM 0 HD2 LYS A 74 -8.352 -3.357 -0.272 1.00 0.12 H new ATOM 0 HD3 LYS A 74 -7.417 -1.890 -0.479 1.00 0.12 H new ATOM 0 HE2 LYS A 74 -7.587 -2.803 -2.633 1.00 0.22 H new ATOM 0 HE3 LYS A 74 -5.961 -3.183 -2.101 1.00 0.22 H new ATOM 0 HZ1 LYS A 74 -6.477 -5.240 -2.718 1.00 1.02 H new ATOM 0 HZ2 LYS A 74 -7.355 -5.341 -1.268 1.00 1.02 H new ATOM 0 HZ3 LYS A 74 -8.149 -4.946 -2.716 1.00 1.02 H new ATOM 1161 N TYR A 75 -3.933 -0.660 2.395 1.00 0.05 N ATOM 1162 CA TYR A 75 -3.191 0.525 2.674 1.00 0.04 C ATOM 1163 C TYR A 75 -2.015 0.227 3.571 1.00 0.05 C ATOM 1164 O TYR A 75 -0.888 0.504 3.219 1.00 0.05 O ATOM 1165 CB TYR A 75 -4.080 1.540 3.371 1.00 0.05 C ATOM 1166 CG TYR A 75 -3.256 2.547 4.124 1.00 0.05 C ATOM 1167 CD1 TYR A 75 -3.107 2.455 5.498 1.00 0.09 C ATOM 1168 CD2 TYR A 75 -2.688 3.623 3.467 1.00 0.07 C ATOM 1169 CE1 TYR A 75 -2.407 3.404 6.206 1.00 0.15 C ATOM 1170 CE2 TYR A 75 -1.976 4.578 4.162 1.00 0.13 C ATOM 1171 CZ TYR A 75 -1.642 4.339 5.489 1.00 0.08 C ATOM 1172 OH TYR A 75 -1.136 5.424 6.228 1.00 0.25 O ATOM 0 H TYR A 75 -4.932 -0.573 2.583 1.00 0.05 H new ATOM 0 HA TYR A 75 -2.830 0.923 1.726 1.00 0.04 H new ATOM 0 HB2 TYR A 75 -4.702 2.050 2.636 1.00 0.05 H new ATOM 0 HB3 TYR A 75 -4.754 1.028 4.058 1.00 0.05 H new ATOM 0 HD1 TYR A 75 -3.549 1.622 6.024 1.00 0.09 H new ATOM 0 HD2 TYR A 75 -2.803 3.717 2.397 1.00 0.07 H new ATOM 0 HE1 TYR A 75 -2.445 3.430 7.285 1.00 0.15 H new ATOM 0 HE2 TYR A 75 -1.682 5.499 3.681 1.00 0.13 H new ATOM 0 HH TYR A 75 -0.436 5.874 5.710 1.00 0.25 H new ATOM 1182 N ASP A 76 -2.303 -0.362 4.725 1.00 0.06 N ATOM 1183 CA ASP A 76 -1.319 -0.522 5.777 1.00 0.08 C ATOM 1184 C ASP A 76 -0.244 -1.437 5.272 1.00 0.09 C ATOM 1185 O ASP A 76 0.929 -1.317 5.591 1.00 0.13 O ATOM 1186 CB ASP A 76 -1.940 -1.149 7.022 1.00 0.13 C ATOM 1187 CG ASP A 76 -1.622 -0.385 8.292 1.00 0.39 C ATOM 1188 OD1 ASP A 76 -2.524 0.310 8.814 1.00 0.56 O ATOM 1189 OD2 ASP A 76 -0.464 -0.458 8.766 1.00 0.65 O1- ATOM 0 H ASP A 76 -3.223 -0.739 4.953 1.00 0.06 H new ATOM 0 HA ASP A 76 -0.922 0.458 6.043 1.00 0.08 H new ATOM 0 HB2 ASP A 76 -3.022 -1.199 6.896 1.00 0.13 H new ATOM 0 HB3 ASP A 76 -1.583 -2.174 7.122 1.00 0.13 H new ATOM 1194 N SER A 77 -0.708 -2.334 4.439 1.00 0.07 N ATOM 1195 CA SER A 77 0.098 -3.326 3.794 1.00 0.07 C ATOM 1196 C SER A 77 1.066 -2.630 2.872 1.00 0.06 C ATOM 1197 O SER A 77 2.286 -2.720 3.011 1.00 0.06 O ATOM 1198 CB SER A 77 -0.858 -4.217 3.003 1.00 0.08 C ATOM 1199 OG SER A 77 -0.196 -5.171 2.207 1.00 0.10 O ATOM 0 H SER A 77 -1.694 -2.391 4.186 1.00 0.07 H new ATOM 0 HA SER A 77 0.670 -3.924 4.504 1.00 0.07 H new ATOM 0 HB2 SER A 77 -1.523 -4.731 3.697 1.00 0.08 H new ATOM 0 HB3 SER A 77 -1.483 -3.592 2.365 1.00 0.08 H new ATOM 0 HG SER A 77 0.769 -5.122 2.372 1.00 0.10 H new ATOM 1205 N LEU A 78 0.474 -1.859 1.994 1.00 0.04 N ATOM 1206 CA LEU A 78 1.150 -1.166 0.944 1.00 0.04 C ATOM 1207 C LEU A 78 2.074 -0.119 1.547 1.00 0.04 C ATOM 1208 O LEU A 78 3.197 0.104 1.099 1.00 0.04 O ATOM 1209 CB LEU A 78 0.043 -0.548 0.111 1.00 0.03 C ATOM 1210 CG LEU A 78 0.447 0.130 -1.176 1.00 0.03 C ATOM 1211 CD1 LEU A 78 0.502 1.606 -0.923 1.00 0.03 C ATOM 1212 CD2 LEU A 78 1.782 -0.388 -1.658 1.00 0.04 C ATOM 0 H LEU A 78 -0.533 -1.696 1.998 1.00 0.04 H new ATOM 0 HA LEU A 78 1.779 -1.810 0.329 1.00 0.04 H new ATOM 0 HB2 LEU A 78 -0.676 -1.331 -0.130 1.00 0.03 H new ATOM 0 HB3 LEU A 78 -0.478 0.183 0.729 1.00 0.03 H new ATOM 0 HG LEU A 78 -0.280 -0.085 -1.959 1.00 0.03 H new ATOM 0 HD11 LEU A 78 0.792 2.122 -1.839 1.00 0.03 H new ATOM 0 HD12 LEU A 78 -0.479 1.957 -0.604 1.00 0.03 H new ATOM 0 HD13 LEU A 78 1.233 1.814 -0.142 1.00 0.03 H new ATOM 0 HD21 LEU A 78 2.053 0.114 -2.587 1.00 0.04 H new ATOM 0 HD22 LEU A 78 2.543 -0.191 -0.903 1.00 0.04 H new ATOM 0 HD23 LEU A 78 1.714 -1.462 -1.833 1.00 0.04 H new ATOM 1224 N ALA A 79 1.577 0.461 2.609 1.00 0.04 N ATOM 1225 CA ALA A 79 2.258 1.485 3.361 1.00 0.04 C ATOM 1226 C ALA A 79 3.468 0.919 4.024 1.00 0.05 C ATOM 1227 O ALA A 79 4.480 1.582 4.141 1.00 0.07 O ATOM 1228 CB ALA A 79 1.294 2.068 4.389 1.00 0.05 C ATOM 0 H ALA A 79 0.659 0.227 2.986 1.00 0.04 H new ATOM 0 HA ALA A 79 2.587 2.279 2.691 1.00 0.04 H new ATOM 0 HB1 ALA A 79 1.800 2.844 4.963 1.00 0.05 H new ATOM 0 HB2 ALA A 79 0.433 2.498 3.877 1.00 0.05 H new ATOM 0 HB3 ALA A 79 0.959 1.279 5.062 1.00 0.05 H new ATOM 1234 N THR A 80 3.369 -0.318 4.404 1.00 0.05 N ATOM 1235 CA THR A 80 4.460 -0.994 5.039 1.00 0.05 C ATOM 1236 C THR A 80 5.500 -1.400 4.019 1.00 0.05 C ATOM 1237 O THR A 80 6.685 -1.321 4.277 1.00 0.05 O ATOM 1238 CB THR A 80 3.950 -2.235 5.734 1.00 0.06 C ATOM 1239 OG1 THR A 80 3.075 -1.871 6.811 1.00 0.07 O ATOM 1240 CG2 THR A 80 5.101 -3.072 6.259 1.00 0.07 C ATOM 0 H THR A 80 2.531 -0.887 4.283 1.00 0.05 H new ATOM 0 HA THR A 80 4.912 -0.315 5.762 1.00 0.05 H new ATOM 0 HB THR A 80 3.396 -2.831 5.009 1.00 0.06 H new ATOM 0 HG1 THR A 80 2.143 -1.956 6.519 1.00 0.07 H new ATOM 0 HG21 THR A 80 4.709 -3.960 6.755 1.00 0.07 H new ATOM 0 HG22 THR A 80 5.740 -3.373 5.429 1.00 0.07 H new ATOM 0 HG23 THR A 80 5.682 -2.486 6.971 1.00 0.07 H new ATOM 1248 N GLN A 81 5.041 -1.815 2.853 1.00 0.05 N ATOM 1249 CA GLN A 81 5.883 -2.263 1.814 1.00 0.05 C ATOM 1250 C GLN A 81 6.693 -1.135 1.323 1.00 0.05 C ATOM 1251 O GLN A 81 7.883 -1.276 1.071 1.00 0.05 O ATOM 1252 CB GLN A 81 5.005 -2.833 0.737 1.00 0.05 C ATOM 1253 CG GLN A 81 4.370 -4.085 1.247 1.00 0.05 C ATOM 1254 CD GLN A 81 3.084 -4.447 0.599 1.00 0.07 C ATOM 1255 OE1 GLN A 81 2.235 -4.997 1.418 1.00 0.09 O flip ATOM 1256 NE2 GLN A 81 2.853 -4.215 -0.581 1.00 0.07 N flip ATOM 0 H GLN A 81 4.048 -1.842 2.619 1.00 0.05 H new ATOM 0 HA GLN A 81 6.574 -3.033 2.157 1.00 0.05 H new ATOM 0 HB2 GLN A 81 4.240 -2.111 0.452 1.00 0.05 H new ATOM 0 HB3 GLN A 81 5.592 -3.044 -0.156 1.00 0.05 H new ATOM 0 HG2 GLN A 81 5.071 -4.909 1.115 1.00 0.05 H new ATOM 0 HG3 GLN A 81 4.202 -3.978 2.319 1.00 0.05 H new ATOM 0 HE21 GLN A 81 3.568 -3.781 -1.165 1.00 0.07 H new ATOM 0 HE22 GLN A 81 1.946 -4.456 -0.980 1.00 0.07 H new ATOM 1265 N ILE A 82 6.063 0.007 1.219 1.00 0.04 N ATOM 1266 CA ILE A 82 6.816 1.147 0.861 1.00 0.04 C ATOM 1267 C ILE A 82 7.641 1.602 2.058 1.00 0.05 C ATOM 1268 O ILE A 82 8.817 1.822 1.908 1.00 0.05 O ATOM 1269 CB ILE A 82 5.996 2.336 0.295 1.00 0.05 C ATOM 1270 CG1 ILE A 82 5.252 3.090 1.358 1.00 0.05 C ATOM 1271 CG2 ILE A 82 5.017 1.929 -0.776 1.00 0.05 C ATOM 1272 CD1 ILE A 82 5.999 4.310 1.798 1.00 0.06 C ATOM 0 H ILE A 82 5.066 0.156 1.374 1.00 0.04 H new ATOM 0 HA ILE A 82 7.453 0.831 0.035 1.00 0.04 H new ATOM 0 HB ILE A 82 6.749 2.988 -0.148 1.00 0.05 H new ATOM 0 HG12 ILE A 82 4.272 3.380 0.980 1.00 0.05 H new ATOM 0 HG13 ILE A 82 5.083 2.438 2.215 1.00 0.05 H new ATOM 0 HG21 ILE A 82 4.477 2.808 -1.128 1.00 0.05 H new ATOM 0 HG22 ILE A 82 5.556 1.476 -1.609 1.00 0.05 H new ATOM 0 HG23 ILE A 82 4.309 1.208 -0.367 1.00 0.05 H new ATOM 0 HD11 ILE A 82 5.428 4.828 2.568 1.00 0.06 H new ATOM 0 HD12 ILE A 82 6.969 4.017 2.201 1.00 0.06 H new ATOM 0 HD13 ILE A 82 6.145 4.974 0.946 1.00 0.06 H new ATOM 1284 N LYS A 83 7.023 1.731 3.248 1.00 0.05 N ATOM 1285 CA LYS A 83 7.735 2.133 4.461 1.00 0.05 C ATOM 1286 C LYS A 83 8.960 1.295 4.715 1.00 0.05 C ATOM 1287 O LYS A 83 9.943 1.770 5.260 1.00 0.06 O ATOM 1288 CB LYS A 83 6.814 2.018 5.660 1.00 0.06 C ATOM 1289 CG LYS A 83 6.511 3.348 6.284 1.00 0.10 C ATOM 1290 CD LYS A 83 5.745 4.212 5.321 1.00 0.12 C ATOM 1291 CE LYS A 83 5.865 5.642 5.723 1.00 0.20 C ATOM 1292 NZ LYS A 83 4.954 6.540 4.971 1.00 0.95 N1+ ATOM 0 H LYS A 83 6.027 1.560 3.388 1.00 0.05 H new ATOM 0 HA LYS A 83 8.054 3.165 4.313 1.00 0.05 H new ATOM 0 HB2 LYS A 83 5.882 1.544 5.353 1.00 0.06 H new ATOM 0 HB3 LYS A 83 7.273 1.367 6.405 1.00 0.06 H new ATOM 0 HG2 LYS A 83 5.932 3.206 7.196 1.00 0.10 H new ATOM 0 HG3 LYS A 83 7.439 3.844 6.569 1.00 0.10 H new ATOM 0 HD2 LYS A 83 6.129 4.075 4.310 1.00 0.12 H new ATOM 0 HD3 LYS A 83 4.696 3.915 5.306 1.00 0.12 H new ATOM 0 HE2 LYS A 83 5.655 5.732 6.789 1.00 0.20 H new ATOM 0 HE3 LYS A 83 6.894 5.970 5.572 1.00 0.20 H new ATOM 0 HZ1 LYS A 83 5.167 7.530 5.209 1.00 0.95 H new ATOM 0 HZ2 LYS A 83 5.087 6.394 3.950 1.00 0.95 H new ATOM 0 HZ3 LYS A 83 3.968 6.327 5.226 1.00 0.95 H new ATOM 1306 N ALA A 84 8.865 0.050 4.353 1.00 0.05 N ATOM 1307 CA ALA A 84 9.962 -0.865 4.396 1.00 0.05 C ATOM 1308 C ALA A 84 11.015 -0.443 3.450 1.00 0.04 C ATOM 1309 O ALA A 84 12.193 -0.370 3.783 1.00 0.05 O ATOM 1310 CB ALA A 84 9.451 -2.174 3.944 1.00 0.05 C ATOM 0 H ALA A 84 7.999 -0.366 4.011 1.00 0.05 H new ATOM 0 HA ALA A 84 10.376 -0.905 5.404 1.00 0.05 H new ATOM 0 HB1 ALA A 84 10.259 -2.906 3.961 1.00 0.05 H new ATOM 0 HB2 ALA A 84 8.651 -2.501 4.608 1.00 0.05 H new ATOM 0 HB3 ALA A 84 9.065 -2.083 2.929 1.00 0.05 H new ATOM 1316 N ILE A 85 10.567 -0.177 2.254 1.00 0.04 N ATOM 1317 CA ILE A 85 11.433 0.258 1.236 1.00 0.04 C ATOM 1318 C ILE A 85 12.089 1.511 1.692 1.00 0.04 C ATOM 1319 O ILE A 85 13.292 1.653 1.626 1.00 0.05 O ATOM 1320 CB ILE A 85 10.669 0.504 -0.063 1.00 0.04 C ATOM 1321 CG1 ILE A 85 10.244 -0.826 -0.635 1.00 0.04 C ATOM 1322 CG2 ILE A 85 11.504 1.317 -1.025 1.00 0.04 C ATOM 1323 CD1 ILE A 85 9.294 -0.719 -1.792 1.00 0.04 C ATOM 0 H ILE A 85 9.589 -0.261 1.975 1.00 0.04 H new ATOM 0 HA ILE A 85 12.180 -0.511 1.036 1.00 0.04 H new ATOM 0 HB ILE A 85 9.771 1.091 0.129 1.00 0.04 H new ATOM 0 HG12 ILE A 85 11.131 -1.372 -0.956 1.00 0.04 H new ATOM 0 HG13 ILE A 85 9.775 -1.415 0.153 1.00 0.04 H new ATOM 0 HG21 ILE A 85 10.943 1.482 -1.945 1.00 0.04 H new ATOM 0 HG22 ILE A 85 11.749 2.278 -0.572 1.00 0.04 H new ATOM 0 HG23 ILE A 85 12.424 0.779 -1.253 1.00 0.04 H new ATOM 0 HD11 ILE A 85 9.037 -1.718 -2.145 1.00 0.04 H new ATOM 0 HD12 ILE A 85 8.389 -0.203 -1.473 1.00 0.04 H new ATOM 0 HD13 ILE A 85 9.765 -0.159 -2.599 1.00 0.04 H new ATOM 1335 N GLN A 86 11.269 2.369 2.244 1.00 0.04 N ATOM 1336 CA GLN A 86 11.698 3.607 2.755 1.00 0.05 C ATOM 1337 C GLN A 86 12.707 3.358 3.803 1.00 0.05 C ATOM 1338 O GLN A 86 13.764 3.900 3.752 1.00 0.07 O ATOM 1339 CB GLN A 86 10.538 4.347 3.365 1.00 0.06 C ATOM 1340 CG GLN A 86 9.408 4.501 2.402 1.00 0.06 C ATOM 1341 CD GLN A 86 8.975 5.922 2.221 1.00 0.07 C ATOM 1342 OE1 GLN A 86 9.608 6.582 1.288 1.00 0.09 O flip ATOM 1343 NE2 GLN A 86 8.090 6.420 2.915 1.00 0.08 N flip ATOM 0 H GLN A 86 10.267 2.205 2.344 1.00 0.04 H new ATOM 0 HA GLN A 86 12.119 4.206 1.947 1.00 0.05 H new ATOM 0 HB2 GLN A 86 10.191 3.813 4.249 1.00 0.06 H new ATOM 0 HB3 GLN A 86 10.869 5.331 3.697 1.00 0.06 H new ATOM 0 HG2 GLN A 86 9.705 4.093 1.436 1.00 0.06 H new ATOM 0 HG3 GLN A 86 8.560 3.911 2.750 1.00 0.06 H new ATOM 0 HE21 GLN A 86 7.627 5.860 3.631 1.00 0.08 H new ATOM 0 HE22 GLN A 86 7.819 7.393 2.775 1.00 0.08 H new ATOM 1352 N ASP A 87 12.352 2.478 4.714 1.00 0.05 N ATOM 1353 CA ASP A 87 13.192 2.130 5.849 1.00 0.06 C ATOM 1354 C ASP A 87 14.575 1.813 5.391 1.00 0.06 C ATOM 1355 O ASP A 87 15.542 2.424 5.809 1.00 0.08 O ATOM 1356 CB ASP A 87 12.657 0.895 6.573 1.00 0.08 C ATOM 1357 CG ASP A 87 12.521 1.116 8.064 1.00 0.20 C ATOM 1358 OD1 ASP A 87 11.679 1.937 8.482 1.00 0.40 O ATOM 1359 OD2 ASP A 87 13.251 0.456 8.837 1.00 0.39 O1- ATOM 0 H ASP A 87 11.464 1.977 4.691 1.00 0.05 H new ATOM 0 HA ASP A 87 13.192 2.987 6.522 1.00 0.06 H new ATOM 0 HB2 ASP A 87 11.686 0.626 6.158 1.00 0.08 H new ATOM 0 HB3 ASP A 87 13.325 0.053 6.392 1.00 0.08 H new ATOM 1364 N VAL A 88 14.659 0.873 4.501 1.00 0.04 N ATOM 1365 CA VAL A 88 15.936 0.388 4.088 1.00 0.04 C ATOM 1366 C VAL A 88 16.595 1.386 3.125 1.00 0.04 C ATOM 1367 O VAL A 88 17.772 1.669 3.262 1.00 0.05 O ATOM 1368 CB VAL A 88 15.828 -1.027 3.504 1.00 0.04 C ATOM 1369 CG1 VAL A 88 14.794 -1.839 4.262 1.00 0.04 C ATOM 1370 CG2 VAL A 88 15.502 -0.982 2.046 1.00 0.04 C ATOM 0 H VAL A 88 13.860 0.428 4.049 1.00 0.04 H new ATOM 0 HA VAL A 88 16.586 0.306 4.959 1.00 0.04 H new ATOM 0 HB VAL A 88 16.797 -1.514 3.615 1.00 0.04 H new ATOM 0 HG11 VAL A 88 14.731 -2.839 3.834 1.00 0.04 H new ATOM 0 HG12 VAL A 88 15.085 -1.911 5.310 1.00 0.04 H new ATOM 0 HG13 VAL A 88 13.822 -1.351 4.188 1.00 0.04 H new ATOM 0 HG21 VAL A 88 15.431 -1.998 1.657 1.00 0.04 H new ATOM 0 HG22 VAL A 88 14.550 -0.471 1.902 1.00 0.04 H new ATOM 0 HG23 VAL A 88 16.287 -0.444 1.514 1.00 0.04 H new ATOM 1380 N ASN A 89 15.809 1.973 2.205 1.00 0.05 N ATOM 1381 CA ASN A 89 16.264 3.059 1.335 1.00 0.06 C ATOM 1382 C ASN A 89 16.763 4.210 2.166 1.00 0.07 C ATOM 1383 O ASN A 89 17.657 4.959 1.775 1.00 0.09 O ATOM 1384 CB ASN A 89 15.088 3.555 0.509 1.00 0.06 C ATOM 1385 CG ASN A 89 14.724 2.637 -0.626 1.00 0.06 C ATOM 1386 OD1 ASN A 89 15.175 1.504 -0.690 1.00 0.05 O ATOM 1387 ND2 ASN A 89 13.857 3.112 -1.497 1.00 0.08 N ATOM 0 H ASN A 89 14.838 1.703 2.048 1.00 0.05 H new ATOM 0 HA ASN A 89 17.064 2.688 0.694 1.00 0.06 H new ATOM 0 HB2 ASN A 89 14.222 3.676 1.160 1.00 0.06 H new ATOM 0 HB3 ASN A 89 15.326 4.540 0.108 1.00 0.06 H new ATOM 0 HD21 ASN A 89 13.534 2.526 -2.267 1.00 0.08 H new ATOM 0 HD22 ASN A 89 13.509 4.066 -1.402 1.00 0.08 H new ATOM 1394 N ALA A 90 16.162 4.316 3.328 1.00 0.07 N ATOM 1395 CA ALA A 90 16.416 5.395 4.258 1.00 0.08 C ATOM 1396 C ALA A 90 17.761 5.211 4.897 1.00 0.09 C ATOM 1397 O ALA A 90 18.305 6.107 5.534 1.00 0.12 O ATOM 1398 CB ALA A 90 15.332 5.414 5.310 1.00 0.09 C ATOM 0 H ALA A 90 15.471 3.644 3.661 1.00 0.07 H new ATOM 0 HA ALA A 90 16.412 6.346 3.725 1.00 0.08 H new ATOM 0 HB1 ALA A 90 15.521 6.226 6.012 1.00 0.09 H new ATOM 0 HB2 ALA A 90 14.364 5.565 4.832 1.00 0.09 H new ATOM 0 HB3 ALA A 90 15.328 4.465 5.846 1.00 0.09 H new ATOM 1404 N GLN A 91 18.276 4.018 4.720 1.00 0.07 N ATOM 1405 CA GLN A 91 19.550 3.650 5.252 1.00 0.08 C ATOM 1406 C GLN A 91 20.623 3.986 4.254 1.00 0.08 C ATOM 1407 O GLN A 91 21.770 4.114 4.607 1.00 0.10 O ATOM 1408 CB GLN A 91 19.561 2.169 5.602 1.00 0.07 C ATOM 1409 CG GLN A 91 18.467 1.742 6.566 1.00 0.08 C ATOM 1410 CD GLN A 91 18.173 2.747 7.663 1.00 0.11 C ATOM 1411 OE1 GLN A 91 18.805 2.784 8.703 1.00 0.25 O ATOM 1412 NE2 GLN A 91 17.169 3.538 7.441 1.00 0.14 N ATOM 0 H GLN A 91 17.813 3.275 4.197 1.00 0.07 H new ATOM 0 HA GLN A 91 19.744 4.209 6.168 1.00 0.08 H new ATOM 0 HB2 GLN A 91 19.464 1.591 4.683 1.00 0.07 H new ATOM 0 HB3 GLN A 91 20.529 1.918 6.036 1.00 0.07 H new ATOM 0 HG2 GLN A 91 17.552 1.560 6.002 1.00 0.08 H new ATOM 0 HG3 GLN A 91 18.752 0.795 7.024 1.00 0.08 H new ATOM 0 HE21 GLN A 91 16.660 3.481 6.559 1.00 0.14 H new ATOM 0 HE22 GLN A 91 16.888 4.217 8.149 1.00 0.14 H new ATOM 1421 N PHE A 92 20.238 4.153 3.012 1.00 0.08 N ATOM 1422 CA PHE A 92 21.182 4.559 1.977 1.00 0.09 C ATOM 1423 C PHE A 92 21.117 6.032 1.713 1.00 0.11 C ATOM 1424 O PHE A 92 20.133 6.709 2.011 1.00 0.12 O ATOM 1425 CB PHE A 92 20.938 3.829 0.659 1.00 0.09 C ATOM 1426 CG PHE A 92 20.831 2.366 0.802 1.00 0.07 C ATOM 1427 CD1 PHE A 92 21.902 1.546 0.545 1.00 0.07 C ATOM 1428 CD2 PHE A 92 19.653 1.815 1.216 1.00 0.06 C ATOM 1429 CE1 PHE A 92 21.794 0.198 0.708 1.00 0.08 C ATOM 1430 CE2 PHE A 92 19.532 0.472 1.377 1.00 0.06 C ATOM 1431 CZ PHE A 92 20.606 -0.340 1.126 1.00 0.06 C ATOM 0 H PHE A 92 19.281 4.017 2.685 1.00 0.08 H new ATOM 0 HA PHE A 92 22.168 4.296 2.360 1.00 0.09 H new ATOM 0 HB2 PHE A 92 20.021 4.209 0.208 1.00 0.09 H new ATOM 0 HB3 PHE A 92 21.751 4.059 -0.029 1.00 0.09 H new ATOM 0 HD1 PHE A 92 22.836 1.973 0.211 1.00 0.07 H new ATOM 0 HD2 PHE A 92 18.807 2.455 1.418 1.00 0.06 H new ATOM 0 HE1 PHE A 92 22.640 -0.443 0.509 1.00 0.08 H new ATOM 0 HE2 PHE A 92 18.594 0.046 1.701 1.00 0.06 H new ATOM 0 HZ PHE A 92 20.516 -1.408 1.258 1.00 0.06 H new ATOM 1441 N GLU A 93 22.207 6.506 1.144 1.00 0.12 N ATOM 1442 CA GLU A 93 22.337 7.872 0.732 1.00 0.14 C ATOM 1443 C GLU A 93 21.332 8.158 -0.378 1.00 0.14 C ATOM 1444 O GLU A 93 20.947 9.301 -0.630 1.00 0.16 O ATOM 1445 CB GLU A 93 23.755 8.117 0.251 1.00 0.16 C ATOM 1446 CG GLU A 93 24.815 7.654 1.243 1.00 0.17 C ATOM 1447 CD GLU A 93 26.176 8.261 0.976 1.00 0.22 C ATOM 1448 OE1 GLU A 93 26.859 8.653 1.941 1.00 0.45 O ATOM 1449 OE2 GLU A 93 26.564 8.369 -0.207 1.00 0.37 O1- ATOM 0 H GLU A 93 23.033 5.938 0.956 1.00 0.12 H new ATOM 0 HA GLU A 93 22.133 8.540 1.569 1.00 0.14 H new ATOM 0 HB2 GLU A 93 23.904 7.601 -0.697 1.00 0.16 H new ATOM 0 HB3 GLU A 93 23.887 9.182 0.059 1.00 0.16 H new ATOM 0 HG2 GLU A 93 24.499 7.914 2.253 1.00 0.17 H new ATOM 0 HG3 GLU A 93 24.893 6.568 1.203 1.00 0.17 H new ATOM 1456 N LYS A 94 20.931 7.081 -1.043 1.00 0.13 N ATOM 1457 CA LYS A 94 19.839 7.098 -1.999 1.00 0.14 C ATOM 1458 C LYS A 94 19.114 5.778 -1.952 1.00 0.12 C ATOM 1459 O LYS A 94 19.720 4.733 -1.744 1.00 0.12 O ATOM 1460 CB LYS A 94 20.276 7.364 -3.436 1.00 0.21 C ATOM 1461 CG LYS A 94 21.415 6.485 -3.924 1.00 0.75 C ATOM 1462 CD LYS A 94 21.505 6.501 -5.441 1.00 1.25 C ATOM 1463 CE LYS A 94 22.559 5.534 -5.950 1.00 2.08 C ATOM 1464 NZ LYS A 94 22.545 5.428 -7.434 1.00 2.94 N1+ ATOM 0 H LYS A 94 21.362 6.163 -0.930 1.00 0.13 H new ATOM 0 HA LYS A 94 19.192 7.925 -1.707 1.00 0.14 H new ATOM 0 HB2 LYS A 94 19.419 7.224 -4.094 1.00 0.21 H new ATOM 0 HB3 LYS A 94 20.577 8.408 -3.523 1.00 0.21 H new ATOM 0 HG2 LYS A 94 22.356 6.832 -3.497 1.00 0.75 H new ATOM 0 HG3 LYS A 94 21.265 5.463 -3.576 1.00 0.75 H new ATOM 0 HD2 LYS A 94 20.536 6.240 -5.866 1.00 1.25 H new ATOM 0 HD3 LYS A 94 21.741 7.509 -5.781 1.00 1.25 H new ATOM 0 HE2 LYS A 94 23.544 5.863 -5.619 1.00 2.08 H new ATOM 0 HE3 LYS A 94 22.389 4.549 -5.514 1.00 2.08 H new ATOM 0 HZ1 LYS A 94 23.488 5.146 -7.771 1.00 2.94 H new ATOM 0 HZ2 LYS A 94 21.846 4.715 -7.725 1.00 2.94 H new ATOM 0 HZ3 LYS A 94 22.292 6.349 -7.845 1.00 2.94 H new ATOM 1478 N PRO A 95 17.808 5.836 -2.157 1.00 0.11 N ATOM 1479 CA PRO A 95 16.920 4.690 -2.077 1.00 0.09 C ATOM 1480 C PRO A 95 17.435 3.516 -2.829 1.00 0.08 C ATOM 1481 O PRO A 95 17.889 3.656 -3.970 1.00 0.10 O ATOM 1482 CB PRO A 95 15.657 5.186 -2.756 1.00 0.11 C ATOM 1483 CG PRO A 95 15.658 6.638 -2.512 1.00 0.13 C ATOM 1484 CD PRO A 95 17.102 7.048 -2.554 1.00 0.14 C ATOM 0 HA PRO A 95 16.792 4.357 -1.047 1.00 0.09 H new ATOM 0 HB2 PRO A 95 15.665 4.962 -3.823 1.00 0.11 H new ATOM 0 HB3 PRO A 95 14.769 4.713 -2.338 1.00 0.11 H new ATOM 0 HG2 PRO A 95 15.078 7.164 -3.270 1.00 0.13 H new ATOM 0 HG3 PRO A 95 15.210 6.875 -1.547 1.00 0.13 H new ATOM 0 HD2 PRO A 95 17.398 7.377 -3.550 1.00 0.14 H new ATOM 0 HD3 PRO A 95 17.306 7.873 -1.872 1.00 0.14 H new ATOM 1492 N ALA A 96 17.347 2.345 -2.236 1.00 0.06 N ATOM 1493 CA ALA A 96 17.701 1.219 -3.000 1.00 0.06 C ATOM 1494 C ALA A 96 16.647 0.154 -2.918 1.00 0.05 C ATOM 1495 O ALA A 96 16.920 -1.004 -2.637 1.00 0.05 O ATOM 1496 CB ALA A 96 18.992 0.695 -2.434 1.00 0.05 C ATOM 0 H ALA A 96 17.047 2.173 -1.276 1.00 0.06 H new ATOM 0 HA ALA A 96 17.804 1.496 -4.049 1.00 0.06 H new ATOM 0 HB1 ALA A 96 19.307 -0.183 -2.998 1.00 0.05 H new ATOM 0 HB2 ALA A 96 19.760 1.466 -2.504 1.00 0.05 H new ATOM 0 HB3 ALA A 96 18.847 0.422 -1.389 1.00 0.05 H new ATOM 1502 N ILE A 97 15.451 0.576 -3.232 1.00 0.06 N ATOM 1503 CA ILE A 97 14.410 -0.199 -3.830 1.00 0.07 C ATOM 1504 C ILE A 97 13.644 0.753 -4.676 1.00 0.08 C ATOM 1505 O ILE A 97 12.807 1.497 -4.170 1.00 0.10 O ATOM 1506 CB ILE A 97 13.490 -0.842 -2.820 1.00 0.07 C ATOM 1507 CG1 ILE A 97 14.159 -2.041 -2.210 1.00 0.06 C ATOM 1508 CG2 ILE A 97 12.142 -1.201 -3.429 1.00 0.08 C ATOM 1509 CD1 ILE A 97 14.677 -1.761 -0.836 1.00 0.05 C ATOM 0 H ILE A 97 15.164 1.540 -3.062 1.00 0.06 H new ATOM 0 HA ILE A 97 14.842 -1.025 -4.395 1.00 0.07 H new ATOM 0 HB ILE A 97 13.289 -0.118 -2.031 1.00 0.07 H new ATOM 0 HG12 ILE A 97 13.450 -2.868 -2.168 1.00 0.06 H new ATOM 0 HG13 ILE A 97 14.983 -2.360 -2.849 1.00 0.06 H new ATOM 0 HG21 ILE A 97 11.510 -1.661 -2.669 1.00 0.08 H new ATOM 0 HG22 ILE A 97 11.660 -0.298 -3.804 1.00 0.08 H new ATOM 0 HG23 ILE A 97 12.289 -1.901 -4.251 1.00 0.08 H new ATOM 0 HD11 ILE A 97 15.152 -2.657 -0.437 1.00 0.05 H new ATOM 0 HD12 ILE A 97 15.407 -0.953 -0.880 1.00 0.05 H new ATOM 0 HD13 ILE A 97 13.851 -1.469 -0.188 1.00 0.05 H new ATOM 1521 N VAL A 98 13.923 0.797 -5.912 1.00 0.09 N ATOM 1522 CA VAL A 98 13.270 1.763 -6.732 1.00 0.10 C ATOM 1523 C VAL A 98 12.721 1.096 -7.957 1.00 0.10 C ATOM 1524 O VAL A 98 13.461 0.648 -8.831 1.00 0.14 O ATOM 1525 CB VAL A 98 14.185 2.949 -7.051 1.00 0.10 C ATOM 1526 CG1 VAL A 98 14.502 3.685 -5.744 1.00 0.10 C ATOM 1527 CG2 VAL A 98 15.454 2.487 -7.745 1.00 0.11 C ATOM 0 H VAL A 98 14.589 0.189 -6.389 1.00 0.09 H new ATOM 0 HA VAL A 98 12.430 2.188 -6.183 1.00 0.10 H new ATOM 0 HB VAL A 98 13.679 3.629 -7.737 1.00 0.10 H new ATOM 0 HG11 VAL A 98 15.153 4.534 -5.953 1.00 0.10 H new ATOM 0 HG12 VAL A 98 13.576 4.041 -5.293 1.00 0.10 H new ATOM 0 HG13 VAL A 98 15.003 3.004 -5.055 1.00 0.10 H new ATOM 0 HG21 VAL A 98 16.086 3.349 -7.960 1.00 0.11 H new ATOM 0 HG22 VAL A 98 15.992 1.796 -7.097 1.00 0.11 H new ATOM 0 HG23 VAL A 98 15.196 1.984 -8.677 1.00 0.11 H new ATOM 1537 N ASP A 99 11.406 0.979 -7.943 1.00 0.09 N ATOM 1538 CA ASP A 99 10.655 0.224 -8.956 1.00 0.11 C ATOM 1539 C ASP A 99 10.679 -1.260 -8.604 1.00 0.09 C ATOM 1540 O ASP A 99 10.841 -2.124 -9.461 1.00 0.11 O ATOM 1541 CB ASP A 99 11.211 0.449 -10.371 1.00 0.14 C ATOM 1542 CG ASP A 99 10.366 -0.171 -11.473 1.00 0.31 C ATOM 1543 OD1 ASP A 99 10.873 -1.058 -12.197 1.00 0.53 O ATOM 1544 OD2 ASP A 99 9.198 0.232 -11.627 1.00 0.52 O1- ATOM 0 H ASP A 99 10.816 1.404 -7.228 1.00 0.09 H new ATOM 0 HA ASP A 99 9.627 0.586 -8.955 1.00 0.11 H new ATOM 0 HB2 ASP A 99 11.295 1.521 -10.551 1.00 0.14 H new ATOM 0 HB3 ASP A 99 12.219 0.037 -10.424 1.00 0.14 H new ATOM 1549 N GLY A 100 10.516 -1.549 -7.319 1.00 0.07 N ATOM 1550 CA GLY A 100 10.532 -2.922 -6.859 1.00 0.08 C ATOM 1551 C GLY A 100 11.883 -3.568 -6.994 1.00 0.08 C ATOM 1552 O GLY A 100 12.041 -4.747 -6.701 1.00 0.10 O ATOM 0 H GLY A 100 10.373 -0.854 -6.586 1.00 0.07 H new ATOM 0 HA2 GLY A 100 10.222 -2.954 -5.814 1.00 0.08 H new ATOM 0 HA3 GLY A 100 9.801 -3.498 -7.426 1.00 0.08 H new ATOM 1556 N VAL A 101 12.848 -2.802 -7.459 1.00 0.08 N ATOM 1557 CA VAL A 101 14.175 -3.300 -7.639 1.00 0.09 C ATOM 1558 C VAL A 101 15.169 -2.394 -6.970 1.00 0.08 C ATOM 1559 O VAL A 101 15.111 -1.172 -7.052 1.00 0.09 O ATOM 1560 CB VAL A 101 14.517 -3.480 -9.122 1.00 0.11 C ATOM 1561 CG1 VAL A 101 14.449 -2.152 -9.871 1.00 0.12 C ATOM 1562 CG2 VAL A 101 15.885 -4.129 -9.270 1.00 0.15 C ATOM 0 H VAL A 101 12.725 -1.823 -7.718 1.00 0.08 H new ATOM 0 HA VAL A 101 14.227 -4.283 -7.172 1.00 0.09 H new ATOM 0 HB VAL A 101 13.774 -4.140 -9.569 1.00 0.11 H new ATOM 0 HG11 VAL A 101 14.697 -2.313 -10.920 1.00 0.12 H new ATOM 0 HG12 VAL A 101 13.442 -1.742 -9.795 1.00 0.12 H new ATOM 0 HG13 VAL A 101 15.160 -1.451 -9.434 1.00 0.12 H new ATOM 0 HG21 VAL A 101 16.117 -4.252 -10.328 1.00 0.15 H new ATOM 0 HG22 VAL A 101 16.640 -3.496 -8.804 1.00 0.15 H new ATOM 0 HG23 VAL A 101 15.879 -5.105 -8.784 1.00 0.15 H new ATOM 1572 N LEU A 102 16.071 -3.036 -6.312 1.00 0.07 N ATOM 1573 CA LEU A 102 17.078 -2.410 -5.527 1.00 0.07 C ATOM 1574 C LEU A 102 18.069 -1.641 -6.388 1.00 0.09 C ATOM 1575 O LEU A 102 18.282 -1.941 -7.566 1.00 0.11 O ATOM 1576 CB LEU A 102 17.780 -3.518 -4.767 1.00 0.07 C ATOM 1577 CG LEU A 102 19.271 -3.321 -4.511 1.00 0.07 C ATOM 1578 CD1 LEU A 102 19.483 -2.357 -3.365 1.00 0.06 C ATOM 1579 CD2 LEU A 102 19.969 -4.638 -4.229 1.00 0.07 C ATOM 0 H LEU A 102 16.130 -4.054 -6.306 1.00 0.07 H new ATOM 0 HA LEU A 102 16.633 -1.680 -4.851 1.00 0.07 H new ATOM 0 HB2 LEU A 102 17.281 -3.643 -3.806 1.00 0.07 H new ATOM 0 HB3 LEU A 102 17.647 -4.449 -5.319 1.00 0.07 H new ATOM 0 HG LEU A 102 19.711 -2.901 -5.416 1.00 0.07 H new ATOM 0 HD11 LEU A 102 20.551 -2.226 -3.193 1.00 0.06 H new ATOM 0 HD12 LEU A 102 19.034 -1.395 -3.611 1.00 0.06 H new ATOM 0 HD13 LEU A 102 19.017 -2.755 -2.464 1.00 0.06 H new ATOM 0 HD21 LEU A 102 21.029 -4.457 -4.052 1.00 0.07 H new ATOM 0 HD22 LEU A 102 19.528 -5.102 -3.347 1.00 0.07 H new ATOM 0 HD23 LEU A 102 19.852 -5.302 -5.085 1.00 0.07 H new ATOM 1591 N ASP A 103 18.669 -0.664 -5.759 1.00 0.09 N ATOM 1592 CA ASP A 103 19.726 0.123 -6.344 1.00 0.11 C ATOM 1593 C ASP A 103 21.013 -0.294 -5.693 1.00 0.11 C ATOM 1594 O ASP A 103 21.365 0.227 -4.661 1.00 0.10 O ATOM 1595 CB ASP A 103 19.538 1.597 -6.040 1.00 0.13 C ATOM 1596 CG ASP A 103 19.834 2.498 -7.219 1.00 0.20 C ATOM 1597 OD1 ASP A 103 18.915 2.775 -8.018 1.00 0.46 O ATOM 1598 OD2 ASP A 103 20.998 2.928 -7.356 1.00 0.48 O1- ATOM 0 H ASP A 103 18.432 -0.387 -4.806 1.00 0.09 H new ATOM 0 HA ASP A 103 19.726 -0.031 -7.423 1.00 0.11 H new ATOM 0 HB2 ASP A 103 18.512 1.765 -5.713 1.00 0.13 H new ATOM 0 HB3 ASP A 103 20.186 1.874 -5.209 1.00 0.13 H new ATOM 1603 N THR A 104 21.708 -1.207 -6.304 1.00 0.12 N ATOM 1604 CA THR A 104 22.957 -1.734 -5.764 1.00 0.14 C ATOM 1605 C THR A 104 24.009 -0.665 -5.797 1.00 0.16 C ATOM 1606 O THR A 104 25.072 -0.759 -5.184 1.00 0.19 O ATOM 1607 CB THR A 104 23.423 -2.932 -6.576 1.00 0.16 C ATOM 1608 OG1 THR A 104 24.198 -2.508 -7.708 1.00 0.20 O ATOM 1609 CG2 THR A 104 22.206 -3.671 -7.060 1.00 0.16 C ATOM 0 H THR A 104 21.435 -1.619 -7.197 1.00 0.12 H new ATOM 0 HA THR A 104 22.788 -2.052 -4.735 1.00 0.14 H new ATOM 0 HB THR A 104 24.047 -3.573 -5.952 1.00 0.16 H new ATOM 0 HG1 THR A 104 24.490 -3.293 -8.217 1.00 0.20 H new ATOM 0 HG21 THR A 104 22.515 -4.536 -7.646 1.00 0.16 H new ATOM 0 HG22 THR A 104 21.618 -4.003 -6.204 1.00 0.16 H new ATOM 0 HG23 THR A 104 21.602 -3.009 -7.681 1.00 0.16 H new ATOM 1617 N ASN A 105 23.658 0.361 -6.520 1.00 0.16 N ATOM 1618 CA ASN A 105 24.493 1.515 -6.700 1.00 0.20 C ATOM 1619 C ASN A 105 24.358 2.429 -5.514 1.00 0.19 C ATOM 1620 O ASN A 105 25.073 3.420 -5.366 1.00 0.26 O ATOM 1621 CB ASN A 105 24.064 2.240 -7.953 1.00 0.26 C ATOM 1622 CG ASN A 105 25.155 3.106 -8.535 1.00 0.37 C ATOM 1623 OD1 ASN A 105 25.242 4.300 -8.241 1.00 0.70 O ATOM 1624 ND2 ASN A 105 26.001 2.505 -9.348 1.00 0.90 N ATOM 0 H ASN A 105 22.766 0.420 -7.010 1.00 0.16 H new ATOM 0 HA ASN A 105 25.534 1.205 -6.792 1.00 0.20 H new ATOM 0 HB2 ASN A 105 23.750 1.510 -8.699 1.00 0.26 H new ATOM 0 HB3 ASN A 105 23.196 2.860 -7.729 1.00 0.26 H new ATOM 0 HD21 ASN A 105 26.769 3.031 -9.764 1.00 0.90 H new ATOM 0 HD22 ASN A 105 25.887 1.514 -9.561 1.00 0.90 H new ATOM 1631 N ALA A 106 23.419 2.068 -4.680 1.00 0.14 N ATOM 1632 CA ALA A 106 23.097 2.849 -3.491 1.00 0.13 C ATOM 1633 C ALA A 106 24.184 2.754 -2.458 1.00 0.14 C ATOM 1634 O ALA A 106 25.146 1.995 -2.584 1.00 0.20 O ATOM 1635 CB ALA A 106 21.767 2.437 -2.895 1.00 0.10 C ATOM 0 H ALA A 106 22.851 1.229 -4.795 1.00 0.14 H new ATOM 0 HA ALA A 106 23.018 3.889 -3.808 1.00 0.13 H new ATOM 0 HB1 ALA A 106 21.562 3.041 -2.011 1.00 0.10 H new ATOM 0 HB2 ALA A 106 20.976 2.589 -3.630 1.00 0.10 H new ATOM 0 HB3 ALA A 106 21.804 1.384 -2.614 1.00 0.10 H new ATOM 1641 N LYS A 107 23.998 3.535 -1.430 1.00 0.13 N ATOM 1642 CA LYS A 107 25.022 3.771 -0.454 1.00 0.14 C ATOM 1643 C LYS A 107 24.483 3.648 0.935 1.00 0.12 C ATOM 1644 O LYS A 107 23.941 4.604 1.463 1.00 0.12 O ATOM 1645 CB LYS A 107 25.563 5.169 -0.642 1.00 0.17 C ATOM 1646 CG LYS A 107 26.740 5.239 -1.561 1.00 0.25 C ATOM 1647 CD LYS A 107 27.909 4.472 -0.965 1.00 0.80 C ATOM 1648 CE LYS A 107 28.335 5.068 0.370 1.00 1.20 C ATOM 1649 NZ LYS A 107 29.517 4.374 0.942 1.00 1.99 N1+ ATOM 0 H LYS A 107 23.125 4.029 -1.246 1.00 0.13 H new ATOM 0 HA LYS A 107 25.807 3.027 -0.590 1.00 0.14 H new ATOM 0 HB2 LYS A 107 24.770 5.807 -1.032 1.00 0.17 H new ATOM 0 HB3 LYS A 107 25.847 5.573 0.330 1.00 0.17 H new ATOM 0 HG2 LYS A 107 26.478 4.822 -2.533 1.00 0.25 H new ATOM 0 HG3 LYS A 107 27.022 6.279 -1.726 1.00 0.25 H new ATOM 0 HD2 LYS A 107 27.630 3.427 -0.827 1.00 0.80 H new ATOM 0 HD3 LYS A 107 28.750 4.489 -1.659 1.00 0.80 H new ATOM 0 HE2 LYS A 107 28.565 6.125 0.237 1.00 1.20 H new ATOM 0 HE3 LYS A 107 27.505 5.009 1.074 1.00 1.20 H new ATOM 0 HZ1 LYS A 107 29.771 4.813 1.850 1.00 1.99 H new ATOM 0 HZ2 LYS A 107 29.290 3.370 1.094 1.00 1.99 H new ATOM 0 HZ3 LYS A 107 30.318 4.452 0.283 1.00 1.99 H new ATOM 1663 N ALA A 108 24.638 2.492 1.532 1.00 0.11 N ATOM 1664 CA ALA A 108 24.143 2.286 2.874 1.00 0.10 C ATOM 1665 C ALA A 108 24.890 3.210 3.823 1.00 0.11 C ATOM 1666 O ALA A 108 26.044 2.962 4.177 1.00 0.13 O ATOM 1667 CB ALA A 108 24.277 0.826 3.273 1.00 0.10 C ATOM 0 H ALA A 108 25.099 1.683 1.115 1.00 0.11 H new ATOM 0 HA ALA A 108 23.081 2.529 2.922 1.00 0.10 H new ATOM 0 HB1 ALA A 108 23.899 0.690 4.286 1.00 0.10 H new ATOM 0 HB2 ALA A 108 23.702 0.207 2.585 1.00 0.10 H new ATOM 0 HB3 ALA A 108 25.326 0.533 3.234 1.00 0.10 H new ATOM 1673 N LYS A 109 24.219 4.308 4.167 1.00 0.11 N ATOM 1674 CA LYS A 109 24.751 5.363 5.011 1.00 0.13 C ATOM 1675 C LYS A 109 25.463 4.845 6.259 1.00 0.15 C ATOM 1676 O LYS A 109 25.301 3.695 6.665 1.00 0.14 O ATOM 1677 CB LYS A 109 23.602 6.265 5.445 1.00 0.14 C ATOM 1678 CG LYS A 109 23.264 7.310 4.411 1.00 0.15 C ATOM 1679 CD LYS A 109 22.174 8.252 4.881 1.00 0.17 C ATOM 1680 CE LYS A 109 20.819 7.584 4.827 1.00 0.16 C ATOM 1681 NZ LYS A 109 19.734 8.470 5.323 1.00 0.26 N1+ ATOM 0 H LYS A 109 23.265 4.488 3.855 1.00 0.11 H new ATOM 0 HA LYS A 109 25.493 5.900 4.420 1.00 0.13 H new ATOM 0 HB2 LYS A 109 22.720 5.655 5.642 1.00 0.14 H new ATOM 0 HB3 LYS A 109 23.865 6.757 6.381 1.00 0.14 H new ATOM 0 HG2 LYS A 109 24.159 7.884 4.172 1.00 0.15 H new ATOM 0 HG3 LYS A 109 22.945 6.819 3.492 1.00 0.15 H new ATOM 0 HD2 LYS A 109 22.383 8.576 5.901 1.00 0.17 H new ATOM 0 HD3 LYS A 109 22.168 9.146 4.258 1.00 0.17 H new ATOM 0 HE2 LYS A 109 20.603 7.288 3.800 1.00 0.16 H new ATOM 0 HE3 LYS A 109 20.842 6.672 5.424 1.00 0.16 H new ATOM 0 HZ1 LYS A 109 18.903 7.896 5.572 1.00 0.26 H new ATOM 0 HZ2 LYS A 109 20.064 8.985 6.164 1.00 0.26 H new ATOM 0 HZ3 LYS A 109 19.474 9.150 4.580 1.00 0.26 H new ATOM 1695 N SER A 110 26.211 5.735 6.897 1.00 0.19 N ATOM 1696 CA SER A 110 26.840 5.446 8.179 1.00 0.22 C ATOM 1697 C SER A 110 25.792 5.407 9.276 1.00 0.23 C ATOM 1698 O SER A 110 26.091 5.208 10.454 1.00 0.26 O ATOM 1699 CB SER A 110 27.888 6.506 8.497 1.00 0.27 C ATOM 1700 OG SER A 110 28.804 6.657 7.422 1.00 0.29 O ATOM 0 H SER A 110 26.398 6.673 6.543 1.00 0.19 H new ATOM 0 HA SER A 110 27.327 4.473 8.121 1.00 0.22 H new ATOM 0 HB2 SER A 110 27.397 7.458 8.697 1.00 0.27 H new ATOM 0 HB3 SER A 110 28.428 6.229 9.403 1.00 0.27 H new ATOM 0 HG SER A 110 29.465 7.344 7.650 1.00 0.29 H new ATOM 1706 N ASP A 111 24.564 5.612 8.859 1.00 0.21 N ATOM 1707 CA ASP A 111 23.440 5.678 9.749 1.00 0.23 C ATOM 1708 C ASP A 111 22.503 4.522 9.444 1.00 0.19 C ATOM 1709 O ASP A 111 21.605 4.211 10.223 1.00 0.21 O ATOM 1710 CB ASP A 111 22.744 7.022 9.561 1.00 0.28 C ATOM 1711 CG ASP A 111 21.626 7.262 10.556 1.00 0.77 C ATOM 1712 OD1 ASP A 111 20.449 7.072 10.189 1.00 1.51 O ATOM 1713 OD2 ASP A 111 21.921 7.621 11.715 1.00 0.70 O1- ATOM 0 H ASP A 111 24.320 5.739 7.877 1.00 0.21 H new ATOM 0 HA ASP A 111 23.759 5.596 10.788 1.00 0.23 H new ATOM 0 HB2 ASP A 111 23.480 7.821 9.652 1.00 0.28 H new ATOM 0 HB3 ASP A 111 22.339 7.076 8.550 1.00 0.28 H new ATOM 1718 N ALA A 112 22.723 3.895 8.280 1.00 0.14 N ATOM 1719 CA ALA A 112 21.991 2.703 7.892 1.00 0.11 C ATOM 1720 C ALA A 112 21.971 1.664 8.990 1.00 0.12 C ATOM 1721 O ALA A 112 22.995 1.129 9.418 1.00 0.15 O ATOM 1722 CB ALA A 112 22.572 2.095 6.632 1.00 0.10 C ATOM 0 H ALA A 112 23.410 4.205 7.593 1.00 0.14 H new ATOM 0 HA ALA A 112 20.965 3.017 7.702 1.00 0.11 H new ATOM 0 HB1 ALA A 112 22.005 1.204 6.363 1.00 0.10 H new ATOM 0 HB2 ALA A 112 22.516 2.819 5.819 1.00 0.10 H new ATOM 0 HB3 ALA A 112 23.613 1.824 6.805 1.00 0.10 H new ATOM 1728 N LYS A 113 20.770 1.411 9.418 1.00 0.11 N ATOM 1729 CA LYS A 113 20.455 0.445 10.426 1.00 0.13 C ATOM 1730 C LYS A 113 19.261 -0.352 9.956 1.00 0.12 C ATOM 1731 O LYS A 113 18.120 0.113 10.014 1.00 0.13 O ATOM 1732 CB LYS A 113 20.118 1.156 11.710 1.00 0.15 C ATOM 1733 CG LYS A 113 20.583 0.404 12.946 1.00 0.24 C ATOM 1734 CD LYS A 113 20.033 1.011 14.226 1.00 0.34 C ATOM 1735 CE LYS A 113 20.271 0.097 15.420 1.00 1.46 C ATOM 1736 NZ LYS A 113 19.618 -1.232 15.243 1.00 2.22 N1+ ATOM 0 H LYS A 113 19.947 1.894 9.057 1.00 0.11 H new ATOM 0 HA LYS A 113 21.303 -0.217 10.600 1.00 0.13 H new ATOM 0 HB2 LYS A 113 20.574 2.146 11.701 1.00 0.15 H new ATOM 0 HB3 LYS A 113 19.039 1.303 11.765 1.00 0.15 H new ATOM 0 HG2 LYS A 113 20.269 -0.637 12.875 1.00 0.24 H new ATOM 0 HG3 LYS A 113 21.672 0.407 12.983 1.00 0.24 H new ATOM 0 HD2 LYS A 113 20.506 1.977 14.405 1.00 0.34 H new ATOM 0 HD3 LYS A 113 18.965 1.195 14.114 1.00 0.34 H new ATOM 0 HE2 LYS A 113 21.343 -0.041 15.563 1.00 1.46 H new ATOM 0 HE3 LYS A 113 19.888 0.572 16.323 1.00 1.46 H new ATOM 0 HZ1 LYS A 113 19.474 -1.675 16.173 1.00 2.22 H new ATOM 0 HZ2 LYS A 113 18.699 -1.107 14.773 1.00 2.22 H new ATOM 0 HZ3 LYS A 113 20.225 -1.842 14.659 1.00 2.22 H new ATOM 1750 N PHE A 114 19.521 -1.538 9.483 1.00 0.11 N ATOM 1751 CA PHE A 114 18.509 -2.300 8.794 1.00 0.10 C ATOM 1752 C PHE A 114 17.675 -3.168 9.703 1.00 0.12 C ATOM 1753 O PHE A 114 18.072 -3.538 10.812 1.00 0.15 O ATOM 1754 CB PHE A 114 19.140 -3.137 7.713 1.00 0.08 C ATOM 1755 CG PHE A 114 19.624 -2.304 6.590 1.00 0.07 C ATOM 1756 CD1 PHE A 114 20.889 -1.757 6.621 1.00 0.07 C ATOM 1757 CD2 PHE A 114 18.808 -2.062 5.507 1.00 0.05 C ATOM 1758 CE1 PHE A 114 21.331 -0.979 5.584 1.00 0.07 C ATOM 1759 CE2 PHE A 114 19.245 -1.290 4.469 1.00 0.05 C ATOM 1760 CZ PHE A 114 20.507 -0.745 4.504 1.00 0.06 C ATOM 0 H PHE A 114 20.426 -2.002 9.560 1.00 0.11 H new ATOM 0 HA PHE A 114 17.824 -1.573 8.357 1.00 0.10 H new ATOM 0 HB2 PHE A 114 19.972 -3.704 8.131 1.00 0.08 H new ATOM 0 HB3 PHE A 114 18.414 -3.861 7.343 1.00 0.08 H new ATOM 0 HD1 PHE A 114 21.534 -1.943 7.467 1.00 0.07 H new ATOM 0 HD2 PHE A 114 17.815 -2.486 5.479 1.00 0.05 H new ATOM 0 HE1 PHE A 114 22.322 -0.550 5.612 1.00 0.07 H new ATOM 0 HE2 PHE A 114 18.600 -1.108 3.622 1.00 0.05 H new ATOM 0 HZ PHE A 114 20.853 -0.133 3.684 1.00 0.06 H new ATOM 1770 N THR A 115 16.499 -3.448 9.198 1.00 0.12 N ATOM 1771 CA THR A 115 15.545 -4.326 9.808 1.00 0.13 C ATOM 1772 C THR A 115 15.124 -5.343 8.776 1.00 0.13 C ATOM 1773 O THR A 115 14.902 -4.999 7.614 1.00 0.13 O ATOM 1774 CB THR A 115 14.330 -3.528 10.315 1.00 0.15 C ATOM 1775 OG1 THR A 115 14.108 -2.405 9.451 1.00 0.15 O ATOM 1776 CG2 THR A 115 14.550 -3.043 11.739 1.00 0.20 C ATOM 0 H THR A 115 16.172 -3.053 8.316 1.00 0.12 H new ATOM 0 HA THR A 115 15.988 -4.829 10.667 1.00 0.13 H new ATOM 0 HB THR A 115 13.458 -4.182 10.310 1.00 0.15 H new ATOM 0 HG1 THR A 115 13.756 -1.655 9.974 1.00 0.15 H new ATOM 0 HG21 THR A 115 13.676 -2.482 12.072 1.00 0.20 H new ATOM 0 HG22 THR A 115 14.703 -3.900 12.396 1.00 0.20 H new ATOM 0 HG23 THR A 115 15.429 -2.399 11.772 1.00 0.20 H new ATOM 1784 N ASP A 116 15.089 -6.596 9.181 1.00 0.16 N ATOM 1785 CA ASP A 116 14.644 -7.675 8.323 1.00 0.18 C ATOM 1786 C ASP A 116 13.154 -7.568 8.120 1.00 0.17 C ATOM 1787 O ASP A 116 12.366 -8.395 8.585 1.00 0.23 O ATOM 1788 CB ASP A 116 15.015 -9.017 8.940 1.00 0.24 C ATOM 1789 CG ASP A 116 16.472 -9.381 8.731 1.00 0.80 C ATOM 1790 OD1 ASP A 116 17.293 -9.125 9.639 1.00 1.36 O ATOM 1791 OD2 ASP A 116 16.806 -9.936 7.661 1.00 0.88 O1- ATOM 0 H ASP A 116 15.369 -6.895 10.115 1.00 0.16 H new ATOM 0 HA ASP A 116 15.136 -7.602 7.353 1.00 0.18 H new ATOM 0 HB2 ASP A 116 14.802 -8.991 10.009 1.00 0.24 H new ATOM 0 HB3 ASP A 116 14.386 -9.796 8.509 1.00 0.24 H new ATOM 1796 N ILE A 117 12.796 -6.520 7.423 1.00 0.14 N ATOM 1797 CA ILE A 117 11.426 -6.129 7.259 1.00 0.13 C ATOM 1798 C ILE A 117 10.659 -7.094 6.402 1.00 0.15 C ATOM 1799 O ILE A 117 11.028 -7.389 5.267 1.00 0.18 O ATOM 1800 CB ILE A 117 11.314 -4.716 6.686 1.00 0.12 C ATOM 1801 CG1 ILE A 117 11.870 -3.744 7.711 1.00 0.12 C ATOM 1802 CG2 ILE A 117 9.868 -4.382 6.338 1.00 0.12 C ATOM 1803 CD1 ILE A 117 11.557 -2.296 7.421 1.00 0.12 C ATOM 0 H ILE A 117 13.460 -5.908 6.948 1.00 0.14 H new ATOM 0 HA ILE A 117 10.982 -6.140 8.254 1.00 0.13 H new ATOM 0 HB ILE A 117 11.887 -4.643 5.762 1.00 0.12 H new ATOM 0 HG12 ILE A 117 11.472 -4.001 8.693 1.00 0.12 H new ATOM 0 HG13 ILE A 117 12.952 -3.867 7.763 1.00 0.12 H new ATOM 0 HG21 ILE A 117 9.815 -3.372 5.932 1.00 0.12 H new ATOM 0 HG22 ILE A 117 9.499 -5.090 5.596 1.00 0.12 H new ATOM 0 HG23 ILE A 117 9.254 -4.445 7.236 1.00 0.12 H new ATOM 0 HD11 ILE A 117 11.989 -1.667 8.200 1.00 0.12 H new ATOM 0 HD12 ILE A 117 11.979 -2.019 6.455 1.00 0.12 H new ATOM 0 HD13 ILE A 117 10.476 -2.155 7.399 1.00 0.12 H new ATOM 1815 N LYS A 118 9.622 -7.625 6.993 1.00 0.14 N ATOM 1816 CA LYS A 118 8.655 -8.395 6.264 1.00 0.16 C ATOM 1817 C LYS A 118 7.361 -7.652 6.176 1.00 0.14 C ATOM 1818 O LYS A 118 6.582 -7.562 7.131 1.00 0.22 O ATOM 1819 CB LYS A 118 8.450 -9.739 6.909 1.00 0.23 C ATOM 1820 CG LYS A 118 9.716 -10.532 6.892 1.00 0.30 C ATOM 1821 CD LYS A 118 9.960 -11.149 5.530 1.00 0.38 C ATOM 1822 CE LYS A 118 11.172 -12.061 5.525 1.00 1.10 C ATOM 1823 NZ LYS A 118 12.430 -11.314 5.789 1.00 1.87 N1+ ATOM 0 H LYS A 118 9.426 -7.535 7.990 1.00 0.14 H new ATOM 0 HA LYS A 118 9.032 -8.557 5.254 1.00 0.16 H new ATOM 0 HB2 LYS A 118 8.112 -9.607 7.937 1.00 0.23 H new ATOM 0 HB3 LYS A 118 7.666 -10.284 6.383 1.00 0.23 H new ATOM 0 HG2 LYS A 118 10.555 -9.888 7.158 1.00 0.30 H new ATOM 0 HG3 LYS A 118 9.666 -11.318 7.646 1.00 0.30 H new ATOM 0 HD2 LYS A 118 9.080 -11.715 5.226 1.00 0.38 H new ATOM 0 HD3 LYS A 118 10.100 -10.357 4.794 1.00 0.38 H new ATOM 0 HE2 LYS A 118 11.045 -12.837 6.280 1.00 1.10 H new ATOM 0 HE3 LYS A 118 11.244 -12.564 4.560 1.00 1.10 H new ATOM 0 HZ1 LYS A 118 13.242 -11.957 5.693 1.00 1.87 H new ATOM 0 HZ2 LYS A 118 12.522 -10.536 5.105 1.00 1.87 H new ATOM 0 HZ3 LYS A 118 12.407 -10.926 6.754 1.00 1.87 H new ATOM 1837 N THR A 119 7.168 -7.115 5.015 1.00 0.10 N ATOM 1838 CA THR A 119 5.958 -6.438 4.655 1.00 0.09 C ATOM 1839 C THR A 119 4.888 -7.457 4.410 1.00 0.12 C ATOM 1840 O THR A 119 3.697 -7.148 4.363 1.00 0.16 O ATOM 1841 CB THR A 119 6.195 -5.670 3.368 1.00 0.07 C ATOM 1842 OG1 THR A 119 6.493 -6.583 2.306 1.00 0.08 O ATOM 1843 CG2 THR A 119 7.354 -4.751 3.552 1.00 0.06 C ATOM 0 H THR A 119 7.864 -7.134 4.269 1.00 0.10 H new ATOM 0 HA THR A 119 5.657 -5.759 5.453 1.00 0.09 H new ATOM 0 HB THR A 119 5.299 -5.101 3.120 1.00 0.07 H new ATOM 0 HG1 THR A 119 7.392 -6.952 2.435 1.00 0.08 H new ATOM 0 HG21 THR A 119 7.529 -4.197 2.630 1.00 0.06 H new ATOM 0 HG22 THR A 119 7.139 -4.052 4.361 1.00 0.06 H new ATOM 0 HG23 THR A 119 8.243 -5.331 3.800 1.00 0.06 H new ATOM 1851 N GLY A 120 5.338 -8.686 4.239 1.00 0.13 N ATOM 1852 CA GLY A 120 4.453 -9.709 3.796 1.00 0.14 C ATOM 1853 C GLY A 120 4.548 -9.876 2.297 1.00 0.13 C ATOM 1854 O GLY A 120 4.188 -10.919 1.752 1.00 0.18 O ATOM 0 H GLY A 120 6.300 -8.983 4.401 1.00 0.13 H new ATOM 0 HA2 GLY A 120 4.698 -10.650 4.289 1.00 0.14 H new ATOM 0 HA3 GLY A 120 3.430 -9.460 4.076 1.00 0.14 H new ATOM 1858 N ASN A 121 5.048 -8.839 1.630 1.00 0.10 N ATOM 1859 CA ASN A 121 5.304 -8.896 0.205 1.00 0.10 C ATOM 1860 C ASN A 121 6.697 -9.437 0.011 1.00 0.16 C ATOM 1861 O ASN A 121 7.645 -8.686 -0.091 1.00 0.30 O ATOM 1862 CB ASN A 121 5.201 -7.495 -0.410 1.00 0.11 C ATOM 1863 CG ASN A 121 5.271 -7.504 -1.917 1.00 0.16 C ATOM 1864 OD1 ASN A 121 5.065 -8.529 -2.562 1.00 0.45 O ATOM 1865 ND2 ASN A 121 5.521 -6.340 -2.489 1.00 0.13 N ATOM 0 H ASN A 121 5.283 -7.946 2.063 1.00 0.10 H new ATOM 0 HA ASN A 121 4.570 -9.536 -0.284 1.00 0.10 H new ATOM 0 HB2 ASN A 121 4.263 -7.036 -0.098 1.00 0.11 H new ATOM 0 HB3 ASN A 121 6.006 -6.873 -0.018 1.00 0.11 H new ATOM 0 HD21 ASN A 121 5.549 -6.267 -3.506 1.00 0.13 H new ATOM 0 HD22 ASN A 121 5.686 -5.514 -1.914 1.00 0.13 H new ATOM 1872 N THR A 122 6.796 -10.756 -0.034 1.00 0.15 N ATOM 1873 CA THR A 122 8.068 -11.451 -0.050 1.00 0.16 C ATOM 1874 C THR A 122 9.023 -10.930 -1.104 1.00 0.12 C ATOM 1875 O THR A 122 10.147 -10.629 -0.808 1.00 0.11 O ATOM 1876 CB THR A 122 7.857 -12.925 -0.291 1.00 0.20 C ATOM 1877 OG1 THR A 122 6.945 -13.455 0.678 1.00 0.26 O ATOM 1878 CG2 THR A 122 9.184 -13.645 -0.223 1.00 0.19 C ATOM 0 H THR A 122 5.987 -11.377 -0.061 1.00 0.15 H new ATOM 0 HA THR A 122 8.516 -11.273 0.928 1.00 0.16 H new ATOM 0 HB THR A 122 7.428 -13.072 -1.282 1.00 0.20 H new ATOM 0 HG1 THR A 122 6.812 -14.412 0.513 1.00 0.26 H new ATOM 0 HG21 THR A 122 9.030 -14.710 -0.397 1.00 0.19 H new ATOM 0 HG22 THR A 122 9.854 -13.246 -0.985 1.00 0.19 H new ATOM 0 HG23 THR A 122 9.627 -13.499 0.762 1.00 0.19 H new ATOM 1886 N GLU A 123 8.571 -10.846 -2.326 1.00 0.14 N ATOM 1887 CA GLU A 123 9.395 -10.380 -3.429 1.00 0.14 C ATOM 1888 C GLU A 123 9.902 -8.986 -3.157 1.00 0.11 C ATOM 1889 O GLU A 123 10.985 -8.622 -3.581 1.00 0.15 O ATOM 1890 CB GLU A 123 8.589 -10.390 -4.709 1.00 0.21 C ATOM 1891 CG GLU A 123 7.762 -11.646 -4.871 1.00 0.30 C ATOM 1892 CD GLU A 123 7.920 -12.283 -6.234 1.00 1.16 C ATOM 1893 OE1 GLU A 123 8.969 -12.910 -6.491 1.00 1.66 O ATOM 1894 OE2 GLU A 123 6.996 -12.149 -7.060 1.00 1.46 O1- ATOM 0 H GLU A 123 7.620 -11.097 -2.594 1.00 0.14 H new ATOM 0 HA GLU A 123 10.250 -11.048 -3.533 1.00 0.14 H new ATOM 0 HB2 GLU A 123 7.930 -9.522 -4.725 1.00 0.21 H new ATOM 0 HB3 GLU A 123 9.264 -10.293 -5.559 1.00 0.21 H new ATOM 0 HG2 GLU A 123 8.049 -12.365 -4.104 1.00 0.30 H new ATOM 0 HG3 GLU A 123 6.711 -11.407 -4.707 1.00 0.30 H new ATOM 1901 N LEU A 124 9.117 -8.230 -2.420 1.00 0.09 N ATOM 1902 CA LEU A 124 9.528 -6.922 -1.968 1.00 0.07 C ATOM 1903 C LEU A 124 10.481 -7.098 -0.829 1.00 0.08 C ATOM 1904 O LEU A 124 11.505 -6.457 -0.757 1.00 0.08 O ATOM 1905 CB LEU A 124 8.343 -6.152 -1.455 1.00 0.07 C ATOM 1906 CG LEU A 124 8.716 -5.039 -0.509 1.00 0.05 C ATOM 1907 CD1 LEU A 124 9.438 -3.961 -1.258 1.00 0.04 C ATOM 1908 CD2 LEU A 124 7.499 -4.513 0.184 1.00 0.05 C ATOM 0 H LEU A 124 8.182 -8.504 -2.120 1.00 0.09 H new ATOM 0 HA LEU A 124 9.986 -6.384 -2.798 1.00 0.07 H new ATOM 0 HB2 LEU A 124 7.798 -5.733 -2.301 1.00 0.07 H new ATOM 0 HB3 LEU A 124 7.665 -6.838 -0.947 1.00 0.07 H new ATOM 0 HG LEU A 124 9.386 -5.424 0.260 1.00 0.05 H new ATOM 0 HD11 LEU A 124 9.706 -3.158 -0.571 1.00 0.04 H new ATOM 0 HD12 LEU A 124 10.342 -4.372 -1.706 1.00 0.04 H new ATOM 0 HD13 LEU A 124 8.791 -3.567 -2.042 1.00 0.04 H new ATOM 0 HD21 LEU A 124 7.786 -3.710 0.863 1.00 0.05 H new ATOM 0 HD22 LEU A 124 6.796 -4.129 -0.556 1.00 0.05 H new ATOM 0 HD23 LEU A 124 7.027 -5.316 0.750 1.00 0.05 H new ATOM 1920 N ASP A 125 10.098 -7.994 0.043 1.00 0.09 N ATOM 1921 CA ASP A 125 10.829 -8.348 1.226 1.00 0.12 C ATOM 1922 C ASP A 125 12.227 -8.797 0.840 1.00 0.12 C ATOM 1923 O ASP A 125 13.194 -8.602 1.572 1.00 0.19 O ATOM 1924 CB ASP A 125 10.019 -9.457 1.901 1.00 0.21 C ATOM 1925 CG ASP A 125 8.984 -8.937 2.885 1.00 0.97 C ATOM 1926 OD1 ASP A 125 8.262 -9.764 3.481 1.00 1.49 O ATOM 1927 OD2 ASP A 125 8.850 -7.706 3.031 1.00 1.21 O1- ATOM 0 H ASP A 125 9.229 -8.518 -0.059 1.00 0.09 H new ATOM 0 HA ASP A 125 10.956 -7.513 1.914 1.00 0.12 H new ATOM 0 HB2 ASP A 125 9.516 -10.047 1.135 1.00 0.21 H new ATOM 0 HB3 ASP A 125 10.701 -10.128 2.423 1.00 0.21 H new ATOM 1932 N LYS A 126 12.309 -9.379 -0.344 1.00 0.10 N ATOM 1933 CA LYS A 126 13.555 -9.781 -0.939 1.00 0.10 C ATOM 1934 C LYS A 126 14.296 -8.616 -1.559 1.00 0.11 C ATOM 1935 O LYS A 126 15.513 -8.656 -1.692 1.00 0.17 O ATOM 1936 CB LYS A 126 13.269 -10.843 -1.996 1.00 0.11 C ATOM 1937 CG LYS A 126 12.439 -11.992 -1.472 1.00 0.13 C ATOM 1938 CD LYS A 126 12.487 -13.209 -2.387 1.00 0.18 C ATOM 1939 CE LYS A 126 13.910 -13.699 -2.621 1.00 0.62 C ATOM 1940 NZ LYS A 126 13.948 -14.892 -3.507 1.00 1.29 N1+ ATOM 0 H LYS A 126 11.494 -9.585 -0.922 1.00 0.10 H new ATOM 0 HA LYS A 126 14.197 -10.183 -0.155 1.00 0.10 H new ATOM 0 HB2 LYS A 126 12.750 -10.381 -2.836 1.00 0.11 H new ATOM 0 HB3 LYS A 126 14.213 -11.230 -2.379 1.00 0.11 H new ATOM 0 HG2 LYS A 126 12.796 -12.272 -0.481 1.00 0.13 H new ATOM 0 HG3 LYS A 126 11.405 -11.667 -1.358 1.00 0.13 H new ATOM 0 HD2 LYS A 126 11.895 -14.013 -1.950 1.00 0.18 H new ATOM 0 HD3 LYS A 126 12.029 -12.960 -3.344 1.00 0.18 H new ATOM 0 HE2 LYS A 126 14.501 -12.898 -3.065 1.00 0.62 H new ATOM 0 HE3 LYS A 126 14.372 -13.943 -1.664 1.00 0.62 H new ATOM 0 HZ1 LYS A 126 14.934 -15.194 -3.641 1.00 1.29 H new ATOM 0 HZ2 LYS A 126 13.405 -15.665 -3.072 1.00 1.29 H new ATOM 0 HZ3 LYS A 126 13.531 -14.653 -4.429 1.00 1.29 H new ATOM 1954 N VAL A 127 13.584 -7.571 -1.915 1.00 0.08 N ATOM 1955 CA VAL A 127 14.220 -6.430 -2.512 1.00 0.07 C ATOM 1956 C VAL A 127 14.578 -5.442 -1.422 1.00 0.06 C ATOM 1957 O VAL A 127 15.543 -4.688 -1.527 1.00 0.06 O ATOM 1958 CB VAL A 127 13.336 -5.753 -3.557 1.00 0.07 C ATOM 1959 CG1 VAL A 127 14.096 -4.623 -4.216 1.00 0.07 C ATOM 1960 CG2 VAL A 127 12.879 -6.752 -4.603 1.00 0.09 C ATOM 0 H VAL A 127 12.573 -7.492 -1.801 1.00 0.08 H new ATOM 0 HA VAL A 127 15.117 -6.774 -3.027 1.00 0.07 H new ATOM 0 HB VAL A 127 12.454 -5.351 -3.058 1.00 0.07 H new ATOM 0 HG11 VAL A 127 13.461 -4.143 -4.961 1.00 0.07 H new ATOM 0 HG12 VAL A 127 14.387 -3.892 -3.462 1.00 0.07 H new ATOM 0 HG13 VAL A 127 14.988 -5.019 -4.701 1.00 0.07 H new ATOM 0 HG21 VAL A 127 12.251 -6.248 -5.337 1.00 0.09 H new ATOM 0 HG22 VAL A 127 13.749 -7.180 -5.102 1.00 0.09 H new ATOM 0 HG23 VAL A 127 12.309 -7.547 -4.122 1.00 0.09 H new ATOM 1970 N LEU A 128 13.795 -5.486 -0.362 1.00 0.06 N ATOM 1971 CA LEU A 128 14.098 -4.768 0.851 1.00 0.05 C ATOM 1972 C LEU A 128 15.465 -5.219 1.280 1.00 0.06 C ATOM 1973 O LEU A 128 16.380 -4.446 1.543 1.00 0.06 O ATOM 1974 CB LEU A 128 13.125 -5.172 1.941 1.00 0.06 C ATOM 1975 CG LEU A 128 11.672 -4.887 1.648 1.00 0.06 C ATOM 1976 CD1 LEU A 128 10.825 -5.186 2.869 1.00 0.07 C ATOM 1977 CD2 LEU A 128 11.496 -3.450 1.205 1.00 0.06 C ATOM 0 H LEU A 128 12.929 -6.024 -0.322 1.00 0.06 H new ATOM 0 HA LEU A 128 14.039 -3.692 0.686 1.00 0.05 H new ATOM 0 HB2 LEU A 128 13.238 -6.240 2.128 1.00 0.06 H new ATOM 0 HB3 LEU A 128 13.401 -4.656 2.861 1.00 0.06 H new ATOM 0 HG LEU A 128 11.341 -5.534 0.835 1.00 0.06 H new ATOM 0 HD11 LEU A 128 9.779 -4.977 2.646 1.00 0.07 H new ATOM 0 HD12 LEU A 128 10.935 -6.236 3.140 1.00 0.07 H new ATOM 0 HD13 LEU A 128 11.151 -4.561 3.700 1.00 0.07 H new ATOM 0 HD21 LEU A 128 10.443 -3.260 0.997 1.00 0.06 H new ATOM 0 HD22 LEU A 128 11.837 -2.781 1.995 1.00 0.06 H new ATOM 0 HD23 LEU A 128 12.081 -3.273 0.303 1.00 0.06 H new ATOM 1989 N ASP A 129 15.546 -6.534 1.268 1.00 0.06 N ATOM 1990 CA ASP A 129 16.720 -7.305 1.635 1.00 0.07 C ATOM 1991 C ASP A 129 17.893 -6.952 0.777 1.00 0.07 C ATOM 1992 O ASP A 129 19.013 -6.785 1.239 1.00 0.07 O ATOM 1993 CB ASP A 129 16.411 -8.743 1.342 1.00 0.10 C ATOM 1994 CG ASP A 129 16.914 -9.703 2.401 1.00 0.17 C ATOM 1995 OD1 ASP A 129 18.139 -9.939 2.451 1.00 0.37 O ATOM 1996 OD2 ASP A 129 16.091 -10.240 3.178 1.00 0.35 O1- ATOM 0 H ASP A 129 14.761 -7.122 0.990 1.00 0.06 H new ATOM 0 HA ASP A 129 16.956 -7.109 2.681 1.00 0.07 H new ATOM 0 HB2 ASP A 129 15.332 -8.860 1.241 1.00 0.10 H new ATOM 0 HB3 ASP A 129 16.852 -9.012 0.382 1.00 0.10 H new ATOM 2001 N LYS A 130 17.589 -6.914 -0.495 1.00 0.07 N ATOM 2002 CA LYS A 130 18.503 -6.559 -1.544 1.00 0.07 C ATOM 2003 C LYS A 130 19.294 -5.358 -1.144 1.00 0.06 C ATOM 2004 O LYS A 130 20.513 -5.322 -1.249 1.00 0.07 O ATOM 2005 CB LYS A 130 17.635 -6.265 -2.738 1.00 0.08 C ATOM 2006 CG LYS A 130 17.731 -7.241 -3.889 1.00 0.12 C ATOM 2007 CD LYS A 130 17.966 -8.626 -3.416 1.00 0.15 C ATOM 2008 CE LYS A 130 19.433 -9.031 -3.532 1.00 1.00 C ATOM 2009 NZ LYS A 130 19.662 -10.430 -3.092 1.00 1.66 N1+ ATOM 0 H LYS A 130 16.656 -7.140 -0.840 1.00 0.07 H new ATOM 0 HA LYS A 130 19.221 -7.350 -1.760 1.00 0.07 H new ATOM 0 HB2 LYS A 130 16.597 -6.227 -2.406 1.00 0.08 H new ATOM 0 HB3 LYS A 130 17.887 -5.272 -3.109 1.00 0.08 H new ATOM 0 HG2 LYS A 130 16.811 -7.207 -4.472 1.00 0.12 H new ATOM 0 HG3 LYS A 130 18.541 -6.941 -4.554 1.00 0.12 H new ATOM 0 HD2 LYS A 130 17.647 -8.713 -2.377 1.00 0.15 H new ATOM 0 HD3 LYS A 130 17.353 -9.316 -3.996 1.00 0.15 H new ATOM 0 HE2 LYS A 130 19.759 -8.919 -4.566 1.00 1.00 H new ATOM 0 HE3 LYS A 130 20.043 -8.358 -2.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 130 20.671 -10.663 -3.187 1.00 1.66 H new ATOM 0 HZ2 LYS A 130 19.375 -10.532 -2.098 1.00 1.66 H new ATOM 0 HZ3 LYS A 130 19.100 -11.076 -3.682 1.00 1.66 H new ATOM 2023 N ALA A 131 18.577 -4.414 -0.618 1.00 0.06 N ATOM 2024 CA ALA A 131 19.159 -3.173 -0.188 1.00 0.05 C ATOM 2025 C ALA A 131 20.010 -3.406 1.029 1.00 0.05 C ATOM 2026 O ALA A 131 21.161 -3.013 1.087 1.00 0.05 O ATOM 2027 CB ALA A 131 18.078 -2.188 0.138 1.00 0.04 C ATOM 0 H ALA A 131 17.569 -4.479 -0.473 1.00 0.06 H new ATOM 0 HA ALA A 131 19.778 -2.774 -0.992 1.00 0.05 H new ATOM 0 HB1 ALA A 131 18.527 -1.250 0.463 1.00 0.04 H new ATOM 0 HB2 ALA A 131 17.468 -2.011 -0.748 1.00 0.04 H new ATOM 0 HB3 ALA A 131 17.451 -2.586 0.936 1.00 0.04 H new ATOM 2033 N ILE A 132 19.425 -4.056 2.003 1.00 0.05 N ATOM 2034 CA ILE A 132 20.128 -4.434 3.207 1.00 0.06 C ATOM 2035 C ILE A 132 21.396 -5.185 2.893 1.00 0.08 C ATOM 2036 O ILE A 132 22.339 -5.208 3.681 1.00 0.09 O ATOM 2037 CB ILE A 132 19.248 -5.332 4.054 1.00 0.07 C ATOM 2038 CG1 ILE A 132 17.837 -4.773 4.006 1.00 0.06 C ATOM 2039 CG2 ILE A 132 19.771 -5.429 5.476 1.00 0.08 C ATOM 2040 CD1 ILE A 132 16.917 -5.216 5.116 1.00 0.07 C ATOM 0 H ILE A 132 18.445 -4.340 1.985 1.00 0.05 H new ATOM 0 HA ILE A 132 20.377 -3.517 3.741 1.00 0.06 H new ATOM 0 HB ILE A 132 19.253 -6.349 3.661 1.00 0.07 H new ATOM 0 HG12 ILE A 132 17.897 -3.685 4.022 1.00 0.06 H new ATOM 0 HG13 ILE A 132 17.388 -5.054 3.053 1.00 0.06 H new ATOM 0 HG21 ILE A 132 19.120 -6.079 6.060 1.00 0.08 H new ATOM 0 HG22 ILE A 132 20.780 -5.841 5.465 1.00 0.08 H new ATOM 0 HG23 ILE A 132 19.789 -4.436 5.925 1.00 0.08 H new ATOM 0 HD11 ILE A 132 15.938 -4.757 4.982 1.00 0.07 H new ATOM 0 HD12 ILE A 132 16.815 -6.301 5.093 1.00 0.07 H new ATOM 0 HD13 ILE A 132 17.332 -4.911 6.076 1.00 0.07 H new ATOM 2052 N SER A 133 21.415 -5.789 1.729 1.00 0.08 N ATOM 2053 CA SER A 133 22.548 -6.567 1.325 1.00 0.10 C ATOM 2054 C SER A 133 23.651 -5.642 0.818 1.00 0.08 C ATOM 2055 O SER A 133 24.817 -6.021 0.729 1.00 0.11 O ATOM 2056 CB SER A 133 22.119 -7.594 0.289 1.00 0.13 C ATOM 2057 OG SER A 133 23.209 -8.070 -0.485 1.00 1.33 O ATOM 0 H SER A 133 20.656 -5.753 1.049 1.00 0.08 H new ATOM 0 HA SER A 133 22.955 -7.117 2.174 1.00 0.10 H new ATOM 0 HB2 SER A 133 21.639 -8.434 0.791 1.00 0.13 H new ATOM 0 HB3 SER A 133 21.374 -7.150 -0.372 1.00 0.13 H new ATOM 0 HG SER A 133 22.886 -8.728 -1.135 1.00 1.33 H new ATOM 2063 N LEU A 134 23.250 -4.418 0.507 1.00 0.08 N ATOM 2064 CA LEU A 134 24.166 -3.333 0.209 1.00 0.08 C ATOM 2065 C LEU A 134 24.718 -2.781 1.514 1.00 0.08 C ATOM 2066 O LEU A 134 25.809 -2.213 1.551 1.00 0.10 O ATOM 2067 CB LEU A 134 23.446 -2.216 -0.534 1.00 0.07 C ATOM 2068 CG LEU A 134 23.240 -2.353 -2.037 1.00 0.08 C ATOM 2069 CD1 LEU A 134 22.609 -3.668 -2.422 1.00 0.08 C ATOM 2070 CD2 LEU A 134 22.389 -1.194 -2.491 1.00 0.08 C ATOM 0 H LEU A 134 22.267 -4.150 0.455 1.00 0.08 H new ATOM 0 HA LEU A 134 24.973 -3.713 -0.418 1.00 0.08 H new ATOM 0 HB2 LEU A 134 22.465 -2.093 -0.076 1.00 0.07 H new ATOM 0 HB3 LEU A 134 23.998 -1.293 -0.359 1.00 0.07 H new ATOM 0 HG LEU A 134 24.212 -2.338 -2.531 1.00 0.08 H new ATOM 0 HD11 LEU A 134 22.486 -3.710 -3.504 1.00 0.08 H new ATOM 0 HD12 LEU A 134 23.250 -4.488 -2.098 1.00 0.08 H new ATOM 0 HD13 LEU A 134 21.634 -3.758 -1.943 1.00 0.08 H new ATOM 0 HD21 LEU A 134 22.223 -1.264 -3.566 1.00 0.08 H new ATOM 0 HD22 LEU A 134 21.430 -1.222 -1.973 1.00 0.08 H new ATOM 0 HD23 LEU A 134 22.898 -0.258 -2.262 1.00 0.08 H new ATOM 2082 N GLY A 135 23.925 -2.935 2.581 1.00 0.09 N ATOM 2083 CA GLY A 135 24.335 -2.495 3.901 1.00 0.12 C ATOM 2084 C GLY A 135 25.601 -3.174 4.380 1.00 0.27 C ATOM 2085 O GLY A 135 25.511 -4.284 4.938 1.00 1.05 O ATOM 2086 OXT GLY A 135 26.692 -2.593 4.214 1.00 1.19 O ATOM 0 H GLY A 135 22.999 -3.361 2.547 1.00 0.09 H new ATOM 0 HA2 GLY A 135 24.490 -1.416 3.887 1.00 0.12 H new ATOM 0 HA3 GLY A 135 23.532 -2.693 4.611 1.00 0.12 H new TER 2090 GLY A 135