USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -0.784 K(o=-0.52,f=-4.8) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.268 USER MOD Set 2.1: A 94 THR OG1 : rot 145:sc= 1.25 USER MOD Set 2.2: A 103 ASN : amide:sc= 1.06 K(o=2.3,f=-1.6) USER MOD Set 3.1: A 87 THR OG1 : rot 9:sc= 1.13 USER MOD Set 3.2: A 116 HIS : no HD1:sc= -0.202 X(o=0.93,f=1) USER MOD Set 4.1: A 61 THR OG1 : rot 176:sc= -1.69! USER MOD Set 4.2: A 75 TYR OH : rot -150:sc= -0.963 USER MOD Set 5.1: A 52 GLN : amide:sc=-0.000156 X(o=-0.00016,f=-0.049) USER MOD Set 5.2: A 71 ASN : amide:sc= 0 K(o=-0.00016,f=-1!) USER MOD Set 6.1: A 51 THR OG1 : rot 113:sc= 1.37 USER MOD Set 6.2: A 54 GLN : amide:sc= 0.898 K(o=2.3,f=-0.057) USER MOD Single : A 20 SER OG : rot 32:sc= 0.629 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 34 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 36 ASN : amide:sc= -0.0264 K(o=-0.026,f=-2) USER MOD Single : A 37 TYR OH : rot 110:sc= 0.285 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.4!) USER MOD Single : A 44 SER OG : rot 92:sc= 0.486 USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= 1.94 (180deg=-1.63) USER MOD Single : A 50 MET CE :methyl -161:sc= 0 (180deg=-0.0384) USER MOD Single : A 53 GLN : amide:sc= -0.894! C(o=-0.89!,f=-1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 117:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.017 K(o=0.017,f=-4.5!) USER MOD Single : A 80 GLN : amide:sc= 0.879 K(o=0.88,f=-0.01) USER MOD Single : A 83 HIS :FLIP no HD1:sc=-0.00304 F(o=-0.56,f=-0.003) USER MOD Single : A 88 GLN :FLIP amide:sc= -1.09 F(o=-2.8!,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -1.79! C(o=-1.8!,f=-11!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 66:sc= 0.0116 USER MOD Single : A 97 SER OG : rot 180:sc= 0.137 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.16) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc=-0.000694 X(o=-0.00069,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -32.027 -37.272 26.106 1.00 0.00 N ATOM 2 CA SER A 20 -31.277 -38.110 27.063 1.00 0.00 C ATOM 3 C SER A 20 -30.079 -38.777 26.385 1.00 0.00 C ATOM 4 O SER A 20 -29.949 -40.004 26.380 1.00 0.00 O ATOM 5 CB SER A 20 -32.208 -39.165 27.661 1.00 0.00 C ATOM 6 OG SER A 20 -33.556 -38.720 27.653 1.00 0.00 O ATOM 0 HA SER A 20 -30.897 -37.473 27.861 1.00 0.00 H new ATOM 0 HB2 SER A 20 -32.124 -40.092 27.094 1.00 0.00 H new ATOM 0 HB3 SER A 20 -31.901 -39.388 28.683 1.00 0.00 H new ATOM 0 HG SER A 20 -33.704 -38.139 26.878 1.00 0.00 H new ATOM 14 N SER A 21 -29.218 -37.961 25.791 1.00 0.00 N ATOM 15 CA SER A 21 -27.978 -38.436 25.196 1.00 0.00 C ATOM 16 C SER A 21 -26.871 -37.409 25.425 1.00 0.00 C ATOM 17 O SER A 21 -25.983 -37.228 24.593 1.00 0.00 O ATOM 18 CB SER A 21 -28.167 -38.696 23.698 1.00 0.00 C ATOM 19 OG SER A 21 -29.136 -39.709 23.475 1.00 0.00 O ATOM 0 H SER A 21 -29.360 -36.954 25.709 1.00 0.00 H new ATOM 0 HA SER A 21 -27.694 -39.375 25.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 -28.477 -37.776 23.202 1.00 0.00 H new ATOM 0 HB3 SER A 21 -27.217 -38.993 23.254 1.00 0.00 H new ATOM 0 HG SER A 21 -29.240 -39.856 22.512 1.00 0.00 H new ATOM 25 N THR A 22 -26.947 -36.740 26.565 1.00 0.00 N ATOM 26 CA THR A 22 -25.998 -35.699 26.925 1.00 0.00 C ATOM 27 C THR A 22 -24.617 -36.282 27.234 1.00 0.00 C ATOM 28 O THR A 22 -24.484 -37.175 28.075 1.00 0.00 O ATOM 29 CB THR A 22 -26.521 -34.928 28.148 1.00 0.00 C ATOM 30 OG1 THR A 22 -27.865 -35.346 28.431 1.00 0.00 O ATOM 31 CG2 THR A 22 -26.499 -33.429 27.903 1.00 0.00 C ATOM 0 H THR A 22 -27.669 -36.904 27.267 1.00 0.00 H new ATOM 0 HA THR A 22 -25.895 -35.024 26.075 1.00 0.00 H new ATOM 0 HB THR A 22 -25.872 -35.145 28.996 1.00 0.00 H new ATOM 0 HG1 THR A 22 -28.202 -34.858 29.211 1.00 0.00 H new ATOM 0 HG21 THR A 22 -26.874 -32.911 28.785 1.00 0.00 H new ATOM 0 HG22 THR A 22 -25.477 -33.108 27.701 1.00 0.00 H new ATOM 0 HG23 THR A 22 -27.130 -33.191 27.047 1.00 0.00 H new ATOM 39 N LEU A 23 -23.596 -35.783 26.546 1.00 0.00 N ATOM 40 CA LEU A 23 -22.235 -36.256 26.754 1.00 0.00 C ATOM 41 C LEU A 23 -21.234 -35.119 26.572 1.00 0.00 C ATOM 42 O LEU A 23 -20.625 -34.972 25.508 1.00 0.00 O ATOM 43 CB LEU A 23 -21.915 -37.398 25.786 1.00 0.00 C ATOM 44 CG LEU A 23 -20.584 -38.111 26.031 1.00 0.00 C ATOM 45 CD1 LEU A 23 -20.596 -38.824 27.374 1.00 0.00 C ATOM 46 CD2 LEU A 23 -20.299 -39.097 24.911 1.00 0.00 C ATOM 0 H LEU A 23 -23.686 -35.052 25.840 1.00 0.00 H new ATOM 0 HA LEU A 23 -22.155 -36.626 27.776 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -22.717 -38.134 25.840 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.914 -37.002 24.771 1.00 0.00 H new ATOM 0 HG LEU A 23 -19.792 -37.363 26.047 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -19.640 -39.325 27.529 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -20.758 -38.097 28.170 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -21.398 -39.562 27.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -19.349 -39.597 25.099 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -21.097 -39.839 24.867 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.247 -38.564 23.962 1.00 0.00 H new ATOM 58 N GLU A 24 -21.069 -34.308 27.611 1.00 0.00 N ATOM 59 CA GLU A 24 -20.127 -33.199 27.562 1.00 0.00 C ATOM 60 C GLU A 24 -18.749 -33.658 28.033 1.00 0.00 C ATOM 61 O GLU A 24 -18.295 -33.311 29.122 1.00 0.00 O ATOM 62 CB GLU A 24 -20.624 -32.008 28.400 1.00 0.00 C ATOM 63 CG GLU A 24 -21.083 -32.372 29.807 1.00 0.00 C ATOM 64 CD GLU A 24 -20.256 -31.691 30.886 1.00 0.00 C ATOM 65 OE1 GLU A 24 -19.807 -30.541 30.670 1.00 0.00 O ATOM 66 OE2 GLU A 24 -20.048 -32.302 31.954 1.00 0.00 O ATOM 0 H GLU A 24 -21.573 -34.398 28.493 1.00 0.00 H new ATOM 0 HA GLU A 24 -20.048 -32.863 26.528 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.824 -31.272 28.472 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -21.451 -31.530 27.874 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -22.130 -32.094 29.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.023 -33.453 29.937 1.00 0.00 H new ATOM 73 N ARG A 25 -18.091 -34.456 27.210 1.00 0.00 N ATOM 74 CA ARG A 25 -16.758 -34.942 27.525 1.00 0.00 C ATOM 75 C ARG A 25 -15.804 -34.641 26.379 1.00 0.00 C ATOM 76 O ARG A 25 -15.273 -35.546 25.741 1.00 0.00 O ATOM 77 CB ARG A 25 -16.785 -36.444 27.812 1.00 0.00 C ATOM 78 CG ARG A 25 -16.119 -36.815 29.124 1.00 0.00 C ATOM 79 CD ARG A 25 -17.073 -36.661 30.294 1.00 0.00 C ATOM 80 NE ARG A 25 -17.785 -37.905 30.581 1.00 0.00 N ATOM 81 CZ ARG A 25 -18.662 -38.054 31.575 1.00 0.00 C ATOM 82 NH1 ARG A 25 -18.930 -37.043 32.388 1.00 0.00 N ATOM 83 NH2 ARG A 25 -19.272 -39.219 31.755 1.00 0.00 N ATOM 0 H ARG A 25 -18.459 -34.782 26.316 1.00 0.00 H new ATOM 0 HA ARG A 25 -16.406 -34.428 28.419 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.820 -36.785 27.828 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.288 -36.972 26.998 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.765 -37.845 29.075 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.244 -36.184 29.281 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.517 -36.348 31.178 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.793 -35.872 30.075 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.599 -38.710 29.983 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.465 -36.145 32.256 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.602 -37.163 33.146 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.070 -40.002 31.133 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.942 -39.332 32.515 1.00 0.00 H new ATOM 97 N VAL A 26 -15.606 -33.360 26.119 1.00 0.00 N ATOM 98 CA VAL A 26 -14.717 -32.915 25.056 1.00 0.00 C ATOM 99 C VAL A 26 -13.790 -31.830 25.581 1.00 0.00 C ATOM 100 O VAL A 26 -14.236 -30.900 26.253 1.00 0.00 O ATOM 101 CB VAL A 26 -15.496 -32.375 23.834 1.00 0.00 C ATOM 102 CG1 VAL A 26 -15.757 -33.487 22.833 1.00 0.00 C ATOM 103 CG2 VAL A 26 -16.807 -31.724 24.261 1.00 0.00 C ATOM 0 H VAL A 26 -16.053 -32.602 26.635 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.140 -33.780 24.730 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.881 -31.613 23.355 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.306 -33.088 21.980 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.808 -33.900 22.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.345 -34.273 23.307 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -17.333 -31.354 23.381 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -17.428 -32.459 24.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -16.598 -30.893 24.935 1.00 0.00 H new ATOM 113 N VAL A 27 -12.505 -31.952 25.296 1.00 0.00 N ATOM 114 CA VAL A 27 -11.537 -30.992 25.803 1.00 0.00 C ATOM 115 C VAL A 27 -11.322 -29.853 24.805 1.00 0.00 C ATOM 116 O VAL A 27 -10.525 -29.951 23.868 1.00 0.00 O ATOM 117 CB VAL A 27 -10.191 -31.669 26.177 1.00 0.00 C ATOM 118 CG1 VAL A 27 -9.679 -32.549 25.047 1.00 0.00 C ATOM 119 CG2 VAL A 27 -9.148 -30.630 26.578 1.00 0.00 C ATOM 0 H VAL A 27 -12.110 -32.697 24.723 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.949 -30.569 26.719 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.374 -32.312 27.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.735 -33.008 25.342 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.410 -33.329 24.833 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.524 -31.942 24.155 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.215 -31.131 26.835 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.976 -29.947 25.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.507 -30.068 27.440 1.00 0.00 H new ATOM 129 N TYR A 28 -12.071 -28.780 24.993 1.00 0.00 N ATOM 130 CA TYR A 28 -11.886 -27.583 24.195 1.00 0.00 C ATOM 131 C TYR A 28 -10.906 -26.658 24.894 1.00 0.00 C ATOM 132 O TYR A 28 -11.171 -26.176 25.995 1.00 0.00 O ATOM 133 CB TYR A 28 -13.218 -26.854 23.964 1.00 0.00 C ATOM 134 CG TYR A 28 -13.098 -25.609 23.100 1.00 0.00 C ATOM 135 CD1 TYR A 28 -12.601 -24.415 23.620 1.00 0.00 C ATOM 136 CD2 TYR A 28 -13.487 -25.627 21.766 1.00 0.00 C ATOM 137 CE1 TYR A 28 -12.493 -23.281 22.837 1.00 0.00 C ATOM 138 CE2 TYR A 28 -13.387 -24.495 20.977 1.00 0.00 C ATOM 139 CZ TYR A 28 -12.887 -23.327 21.517 1.00 0.00 C ATOM 140 OH TYR A 28 -12.795 -22.196 20.734 1.00 0.00 O ATOM 0 H TYR A 28 -12.812 -28.714 25.691 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.491 -27.876 23.222 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -13.921 -27.543 23.496 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.640 -26.575 24.929 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -12.294 -24.375 24.655 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.874 -26.540 21.338 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.103 -22.366 23.257 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.699 -24.525 19.943 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.112 -22.398 19.829 1.00 0.00 H new ATOM 150 N ARG A 29 -9.775 -26.426 24.269 1.00 0.00 N ATOM 151 CA ARG A 29 -8.808 -25.484 24.792 1.00 0.00 C ATOM 152 C ARG A 29 -8.578 -24.391 23.767 1.00 0.00 C ATOM 153 O ARG A 29 -8.516 -24.669 22.566 1.00 0.00 O ATOM 154 CB ARG A 29 -7.484 -26.178 25.134 1.00 0.00 C ATOM 155 CG ARG A 29 -7.212 -27.435 24.324 1.00 0.00 C ATOM 156 CD ARG A 29 -5.729 -27.760 24.282 1.00 0.00 C ATOM 157 NE ARG A 29 -5.178 -27.999 25.617 1.00 0.00 N ATOM 158 CZ ARG A 29 -4.820 -29.198 26.074 1.00 0.00 C ATOM 159 NH1 ARG A 29 -4.918 -30.270 25.296 1.00 0.00 N ATOM 160 NH2 ARG A 29 -4.339 -29.320 27.306 1.00 0.00 N ATOM 0 H ARG A 29 -9.500 -26.877 23.396 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.200 -25.052 25.713 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.667 -25.474 24.977 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.484 -26.435 26.193 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.757 -28.273 24.757 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.585 -27.303 23.309 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.569 -28.642 23.662 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.191 -26.937 23.811 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.061 -27.197 26.236 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.269 -30.178 24.343 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.642 -31.185 25.652 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.244 -28.497 27.900 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.064 -30.237 27.658 1.00 0.00 H new ATOM 174 N PRO A 30 -8.474 -23.131 24.215 1.00 0.00 N ATOM 175 CA PRO A 30 -8.188 -21.996 23.337 1.00 0.00 C ATOM 176 C PRO A 30 -6.733 -22.017 22.866 1.00 0.00 C ATOM 177 O PRO A 30 -5.984 -21.057 23.037 1.00 0.00 O ATOM 178 CB PRO A 30 -8.474 -20.764 24.213 1.00 0.00 C ATOM 179 CG PRO A 30 -9.118 -21.288 25.456 1.00 0.00 C ATOM 180 CD PRO A 30 -8.646 -22.704 25.606 1.00 0.00 C ATOM 0 HA PRO A 30 -8.789 -22.008 22.428 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.554 -20.228 24.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.131 -20.062 23.698 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.836 -20.690 26.322 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.204 -21.246 25.379 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.713 -22.763 26.167 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.374 -23.321 26.133 1.00 0.00 H new ATOM 188 N ASP A 31 -6.353 -23.148 22.292 1.00 0.00 N ATOM 189 CA ASP A 31 -5.011 -23.367 21.773 1.00 0.00 C ATOM 190 C ASP A 31 -5.106 -23.841 20.334 1.00 0.00 C ATOM 191 O ASP A 31 -4.116 -24.228 19.717 1.00 0.00 O ATOM 192 CB ASP A 31 -4.291 -24.423 22.615 1.00 0.00 C ATOM 193 CG ASP A 31 -2.783 -24.342 22.491 1.00 0.00 C ATOM 194 OD1 ASP A 31 -2.214 -23.260 22.745 1.00 0.00 O ATOM 195 OD2 ASP A 31 -2.156 -25.364 22.138 1.00 0.00 O ATOM 0 H ASP A 31 -6.974 -23.948 22.172 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.448 -22.435 21.818 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.572 -24.301 23.661 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.624 -25.415 22.309 1.00 0.00 H new ATOM 200 N ILE A 32 -6.318 -23.812 19.812 1.00 0.00 N ATOM 201 CA ILE A 32 -6.590 -24.303 18.479 1.00 0.00 C ATOM 202 C ILE A 32 -6.319 -23.217 17.439 1.00 0.00 C ATOM 203 O ILE A 32 -6.548 -22.029 17.684 1.00 0.00 O ATOM 204 CB ILE A 32 -8.046 -24.833 18.383 1.00 0.00 C ATOM 205 CG1 ILE A 32 -8.055 -26.238 17.787 1.00 0.00 C ATOM 206 CG2 ILE A 32 -8.948 -23.906 17.579 1.00 0.00 C ATOM 207 CD1 ILE A 32 -8.160 -27.327 18.830 1.00 0.00 C ATOM 0 H ILE A 32 -7.137 -23.449 20.300 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.918 -25.135 18.269 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.448 -24.868 19.396 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.891 -26.326 17.094 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.144 -26.386 17.207 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.955 -24.321 17.541 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.977 -22.925 18.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.558 -23.807 16.566 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.161 -28.301 18.340 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.310 -27.263 19.509 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.085 -27.203 19.394 1.00 0.00 H new ATOM 219 N ASN A 33 -5.809 -23.627 16.291 1.00 0.00 N ATOM 220 CA ASN A 33 -5.473 -22.691 15.231 1.00 0.00 C ATOM 221 C ASN A 33 -6.688 -22.426 14.349 1.00 0.00 C ATOM 222 O ASN A 33 -6.788 -22.943 13.235 1.00 0.00 O ATOM 223 CB ASN A 33 -4.313 -23.233 14.393 1.00 0.00 C ATOM 224 CG ASN A 33 -3.693 -22.173 13.505 1.00 0.00 C ATOM 225 OD1 ASN A 33 -3.836 -20.973 13.748 1.00 0.00 O ATOM 226 ND2 ASN A 33 -2.998 -22.610 12.470 1.00 0.00 N ATOM 0 H ASN A 33 -5.618 -24.604 16.068 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.164 -21.749 15.684 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.549 -23.639 15.056 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.670 -24.057 13.775 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.555 -21.945 11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.904 -23.612 12.305 1.00 0.00 H new ATOM 233 N GLN A 34 -7.619 -21.634 14.867 1.00 0.00 N ATOM 234 CA GLN A 34 -8.820 -21.268 14.129 1.00 0.00 C ATOM 235 C GLN A 34 -9.067 -19.767 14.232 1.00 0.00 C ATOM 236 O GLN A 34 -9.337 -19.245 15.318 1.00 0.00 O ATOM 237 CB GLN A 34 -10.032 -22.037 14.663 1.00 0.00 C ATOM 238 CG GLN A 34 -10.588 -23.058 13.682 1.00 0.00 C ATOM 239 CD GLN A 34 -10.931 -22.443 12.337 1.00 0.00 C ATOM 240 OE1 GLN A 34 -11.790 -21.562 12.240 1.00 0.00 O ATOM 241 NE2 GLN A 34 -10.258 -22.892 11.291 1.00 0.00 N ATOM 0 H GLN A 34 -7.563 -21.231 15.802 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.674 -21.530 13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.751 -22.547 15.584 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.818 -21.327 14.919 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.858 -23.855 13.538 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.481 -23.517 14.107 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.555 -23.621 11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.442 -22.509 10.364 1.00 0.00 H new ATOM 250 N GLY A 35 -8.961 -19.075 13.104 1.00 0.00 N ATOM 251 CA GLY A 35 -9.154 -17.636 13.088 1.00 0.00 C ATOM 252 C GLY A 35 -8.020 -16.903 13.772 1.00 0.00 C ATOM 253 O GLY A 35 -8.226 -15.854 14.385 1.00 0.00 O ATOM 0 H GLY A 35 -8.744 -19.486 12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.237 -17.293 12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.094 -17.391 13.582 1.00 0.00 H new ATOM 257 N ASN A 36 -6.824 -17.464 13.680 1.00 0.00 N ATOM 258 CA ASN A 36 -5.649 -16.878 14.309 1.00 0.00 C ATOM 259 C ASN A 36 -4.783 -16.176 13.269 1.00 0.00 C ATOM 260 O ASN A 36 -4.839 -16.503 12.079 1.00 0.00 O ATOM 261 CB ASN A 36 -4.838 -17.961 15.029 1.00 0.00 C ATOM 262 CG ASN A 36 -3.751 -17.389 15.920 1.00 0.00 C ATOM 263 OD1 ASN A 36 -3.882 -16.286 16.449 1.00 0.00 O ATOM 264 ND2 ASN A 36 -2.670 -18.134 16.089 1.00 0.00 N ATOM 0 H ASN A 36 -6.641 -18.330 13.173 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.979 -16.141 15.041 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.511 -18.572 15.631 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.385 -18.621 14.289 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.906 -17.799 16.676 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.601 -19.043 15.632 1.00 0.00 H new ATOM 271 N TYR A 37 -4.001 -15.202 13.716 1.00 0.00 N ATOM 272 CA TYR A 37 -3.109 -14.456 12.837 1.00 0.00 C ATOM 273 C TYR A 37 -2.002 -13.799 13.659 1.00 0.00 C ATOM 274 O TYR A 37 -1.979 -13.935 14.884 1.00 0.00 O ATOM 275 CB TYR A 37 -3.901 -13.427 12.007 1.00 0.00 C ATOM 276 CG TYR A 37 -4.143 -12.085 12.677 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.663 -11.995 13.966 1.00 0.00 C ATOM 278 CD2 TYR A 37 -3.858 -10.905 12.004 1.00 0.00 C ATOM 279 CE1 TYR A 37 -4.885 -10.765 14.562 1.00 0.00 C ATOM 280 CE2 TYR A 37 -4.079 -9.676 12.593 1.00 0.00 C ATOM 281 CZ TYR A 37 -4.590 -9.609 13.870 1.00 0.00 C ATOM 282 OH TYR A 37 -4.806 -8.380 14.452 1.00 0.00 O ATOM 0 H TYR A 37 -3.967 -14.908 14.692 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.640 -15.142 12.132 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.368 -13.254 11.072 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.866 -13.862 11.748 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.897 -12.899 14.509 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.456 -10.949 11.002 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.287 -10.711 15.563 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.851 -8.769 12.053 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.945 -7.958 14.654 1.00 0.00 H new ATOM 292 N LEU A 38 -1.095 -13.090 13.001 1.00 0.00 N ATOM 293 CA LEU A 38 0.044 -12.499 13.693 1.00 0.00 C ATOM 294 C LEU A 38 -0.387 -11.296 14.523 1.00 0.00 C ATOM 295 O LEU A 38 -1.357 -10.616 14.199 1.00 0.00 O ATOM 296 CB LEU A 38 1.136 -12.085 12.705 1.00 0.00 C ATOM 297 CG LEU A 38 2.565 -12.216 13.243 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.963 -13.683 13.348 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.540 -11.451 12.362 1.00 0.00 C ATOM 0 H LEU A 38 -1.124 -12.911 11.997 1.00 0.00 H new ATOM 0 HA LEU A 38 0.450 -13.259 14.361 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.043 -12.693 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.967 -11.050 12.409 1.00 0.00 H new ATOM 0 HG LEU A 38 2.600 -11.782 14.242 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.981 -13.757 13.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.281 -14.197 14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.912 -14.145 12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.549 -11.556 12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.506 -11.851 11.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.265 -10.397 12.345 1.00 0.00 H new ATOM 311 N THR A 39 0.345 -11.046 15.595 1.00 0.00 N ATOM 312 CA THR A 39 0.007 -9.984 16.525 1.00 0.00 C ATOM 313 C THR A 39 1.103 -8.924 16.571 1.00 0.00 C ATOM 314 O THR A 39 2.283 -9.237 16.433 1.00 0.00 O ATOM 315 CB THR A 39 -0.202 -10.564 17.933 1.00 0.00 C ATOM 316 OG1 THR A 39 -0.426 -11.981 17.842 1.00 0.00 O ATOM 317 CG2 THR A 39 -1.381 -9.902 18.626 1.00 0.00 C ATOM 0 H THR A 39 1.184 -11.570 15.844 1.00 0.00 H new ATOM 0 HA THR A 39 -0.915 -9.516 16.180 1.00 0.00 H new ATOM 0 HB THR A 39 0.694 -10.370 18.522 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.557 -12.350 18.740 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.506 -10.331 19.620 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.197 -8.831 18.713 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.286 -10.068 18.042 1.00 0.00 H new ATOM 325 N ALA A 40 0.702 -7.672 16.764 1.00 0.00 N ATOM 326 CA ALA A 40 1.646 -6.564 16.866 1.00 0.00 C ATOM 327 C ALA A 40 2.590 -6.751 18.048 1.00 0.00 C ATOM 328 O ALA A 40 3.771 -6.422 17.971 1.00 0.00 O ATOM 329 CB ALA A 40 0.901 -5.246 16.995 1.00 0.00 C ATOM 0 H ALA A 40 -0.276 -7.398 16.853 1.00 0.00 H new ATOM 0 HA ALA A 40 2.243 -6.547 15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.618 -4.429 17.070 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.271 -5.097 16.118 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.279 -5.266 17.890 1.00 0.00 H new ATOM 335 N ASN A 41 2.063 -7.293 19.138 1.00 0.00 N ATOM 336 CA ASN A 41 2.856 -7.527 20.346 1.00 0.00 C ATOM 337 C ASN A 41 3.874 -8.645 20.122 1.00 0.00 C ATOM 338 O ASN A 41 4.853 -8.772 20.858 1.00 0.00 O ATOM 339 CB ASN A 41 1.939 -7.860 21.534 1.00 0.00 C ATOM 340 CG ASN A 41 1.708 -9.352 21.717 1.00 0.00 C ATOM 341 OD1 ASN A 41 1.230 -10.034 20.811 1.00 0.00 O ATOM 342 ND2 ASN A 41 2.035 -9.862 22.895 1.00 0.00 N ATOM 0 H ASN A 41 1.087 -7.581 19.214 1.00 0.00 H new ATOM 0 HA ASN A 41 3.404 -6.613 20.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.375 -7.453 22.446 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.978 -7.366 21.392 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.893 -10.855 23.078 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.429 -9.261 23.619 1.00 0.00 H new ATOM 349 N ASP A 42 3.637 -9.446 19.093 1.00 0.00 N ATOM 350 CA ASP A 42 4.499 -10.577 18.773 1.00 0.00 C ATOM 351 C ASP A 42 5.758 -10.108 18.051 1.00 0.00 C ATOM 352 O ASP A 42 6.796 -10.765 18.091 1.00 0.00 O ATOM 353 CB ASP A 42 3.735 -11.583 17.908 1.00 0.00 C ATOM 354 CG ASP A 42 4.120 -13.019 18.198 1.00 0.00 C ATOM 355 OD1 ASP A 42 5.199 -13.456 17.762 1.00 0.00 O ATOM 356 OD2 ASP A 42 3.335 -13.723 18.870 1.00 0.00 O ATOM 0 H ASP A 42 2.846 -9.332 18.459 1.00 0.00 H new ATOM 0 HA ASP A 42 4.800 -11.061 19.702 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.665 -11.458 18.073 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.922 -11.367 16.856 1.00 0.00 H new ATOM 361 N VAL A 43 5.669 -8.942 17.420 1.00 0.00 N ATOM 362 CA VAL A 43 6.792 -8.373 16.677 1.00 0.00 C ATOM 363 C VAL A 43 7.926 -7.964 17.622 1.00 0.00 C ATOM 364 O VAL A 43 9.075 -7.803 17.207 1.00 0.00 O ATOM 365 CB VAL A 43 6.352 -7.147 15.844 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.430 -6.746 14.849 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.048 -7.434 15.120 1.00 0.00 C ATOM 0 H VAL A 43 4.826 -8.368 17.408 1.00 0.00 H new ATOM 0 HA VAL A 43 7.153 -9.147 16.000 1.00 0.00 H new ATOM 0 HB VAL A 43 6.196 -6.315 16.530 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.094 -5.881 14.277 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.344 -6.493 15.386 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.626 -7.576 14.170 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.754 -6.560 14.539 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.182 -8.285 14.452 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.270 -7.664 15.848 1.00 0.00 H new ATOM 377 N SER A 44 7.600 -7.821 18.899 1.00 0.00 N ATOM 378 CA SER A 44 8.580 -7.446 19.911 1.00 0.00 C ATOM 379 C SER A 44 9.529 -8.604 20.236 1.00 0.00 C ATOM 380 O SER A 44 10.511 -8.429 20.960 1.00 0.00 O ATOM 381 CB SER A 44 7.855 -6.979 21.173 1.00 0.00 C ATOM 382 OG SER A 44 6.618 -6.366 20.840 1.00 0.00 O ATOM 0 H SER A 44 6.657 -7.960 19.262 1.00 0.00 H new ATOM 0 HA SER A 44 9.187 -6.631 19.515 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.680 -7.828 21.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.481 -6.274 21.719 1.00 0.00 H new ATOM 0 HG SER A 44 5.906 -7.039 20.851 1.00 0.00 H new ATOM 388 N LYS A 45 9.238 -9.781 19.690 1.00 0.00 N ATOM 389 CA LYS A 45 10.050 -10.964 19.950 1.00 0.00 C ATOM 390 C LYS A 45 11.254 -11.033 19.009 1.00 0.00 C ATOM 391 O LYS A 45 12.221 -11.753 19.275 1.00 0.00 O ATOM 392 CB LYS A 45 9.202 -12.230 19.806 1.00 0.00 C ATOM 393 CG LYS A 45 8.290 -12.489 20.996 1.00 0.00 C ATOM 394 CD LYS A 45 6.914 -12.961 20.555 1.00 0.00 C ATOM 395 CE LYS A 45 6.737 -14.457 20.774 1.00 0.00 C ATOM 396 NZ LYS A 45 6.044 -15.108 19.632 1.00 0.00 N ATOM 0 H LYS A 45 8.447 -9.940 19.066 1.00 0.00 H new ATOM 0 HA LYS A 45 10.423 -10.894 20.972 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.595 -12.150 18.904 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.862 -13.087 19.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.742 -13.239 21.645 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.191 -11.577 21.584 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.148 -12.419 21.109 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.770 -12.728 19.500 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.713 -14.920 20.918 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.167 -14.625 21.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.090 -15.401 19.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.972 -14.436 18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.584 -15.943 19.329 1.00 0.00 H new ATOM 410 N ILE A 46 11.208 -10.277 17.920 1.00 0.00 N ATOM 411 CA ILE A 46 12.277 -10.316 16.930 1.00 0.00 C ATOM 412 C ILE A 46 13.010 -8.983 16.848 1.00 0.00 C ATOM 413 O ILE A 46 12.530 -7.967 17.354 1.00 0.00 O ATOM 414 CB ILE A 46 11.757 -10.701 15.529 1.00 0.00 C ATOM 415 CG1 ILE A 46 10.453 -9.970 15.209 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.561 -12.205 15.439 1.00 0.00 C ATOM 417 CD1 ILE A 46 10.595 -8.930 14.121 1.00 0.00 C ATOM 0 H ILE A 46 10.448 -9.633 17.700 1.00 0.00 H new ATOM 0 HA ILE A 46 12.973 -11.086 17.263 1.00 0.00 H new ATOM 0 HB ILE A 46 12.501 -10.399 14.792 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.702 -10.700 14.907 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.084 -9.489 16.115 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.194 -12.465 14.446 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.512 -12.707 15.617 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.836 -12.523 16.189 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.631 -8.452 13.947 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.322 -8.179 14.428 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.934 -9.409 13.202 1.00 0.00 H new ATOM 429 N ARG A 47 14.174 -8.998 16.205 1.00 0.00 N ATOM 430 CA ARG A 47 15.032 -7.819 16.107 1.00 0.00 C ATOM 431 C ARG A 47 15.678 -7.759 14.734 1.00 0.00 C ATOM 432 O ARG A 47 15.669 -8.744 14.002 1.00 0.00 O ATOM 433 CB ARG A 47 16.133 -7.870 17.170 1.00 0.00 C ATOM 434 CG ARG A 47 15.647 -7.603 18.583 1.00 0.00 C ATOM 435 CD ARG A 47 14.842 -6.312 18.659 1.00 0.00 C ATOM 436 NE ARG A 47 15.045 -5.593 19.915 1.00 0.00 N ATOM 437 CZ ARG A 47 14.211 -5.655 20.954 1.00 0.00 C ATOM 438 NH1 ARG A 47 13.154 -6.457 20.921 1.00 0.00 N ATOM 439 NH2 ARG A 47 14.445 -4.920 22.035 1.00 0.00 N ATOM 0 H ARG A 47 14.549 -9.824 15.738 1.00 0.00 H new ATOM 0 HA ARG A 47 14.416 -6.934 16.265 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.606 -8.851 17.140 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.900 -7.138 16.917 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.033 -8.437 18.922 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.501 -7.541 19.258 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.120 -5.666 17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.783 -6.542 18.544 1.00 0.00 H new ATOM 0 HE ARG A 47 15.876 -5.008 20.002 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.975 -7.031 20.097 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.521 -6.499 21.719 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.261 -4.309 22.070 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.808 -4.966 22.831 1.00 0.00 H new ATOM 453 N VAL A 48 16.255 -6.617 14.388 1.00 0.00 N ATOM 454 CA VAL A 48 16.957 -6.487 13.118 1.00 0.00 C ATOM 455 C VAL A 48 18.275 -7.254 13.164 1.00 0.00 C ATOM 456 O VAL A 48 18.918 -7.344 14.211 1.00 0.00 O ATOM 457 CB VAL A 48 17.239 -5.015 12.739 1.00 0.00 C ATOM 458 CG1 VAL A 48 16.202 -4.509 11.750 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.278 -4.126 13.971 1.00 0.00 C ATOM 0 H VAL A 48 16.252 -5.774 14.962 1.00 0.00 H new ATOM 0 HA VAL A 48 16.301 -6.906 12.355 1.00 0.00 H new ATOM 0 HB VAL A 48 18.220 -4.975 12.265 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.418 -3.471 11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.233 -5.118 10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.210 -4.574 12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.478 -3.097 13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.318 -4.174 14.485 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.066 -4.468 14.642 1.00 0.00 H new ATOM 469 N GLY A 49 18.656 -7.824 12.031 1.00 0.00 N ATOM 470 CA GLY A 49 19.856 -8.632 11.964 1.00 0.00 C ATOM 471 C GLY A 49 19.639 -10.027 12.509 1.00 0.00 C ATOM 472 O GLY A 49 20.570 -10.831 12.570 1.00 0.00 O ATOM 0 H GLY A 49 18.150 -7.740 11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.191 -8.697 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.652 -8.144 12.527 1.00 0.00 H new ATOM 476 N MET A 50 18.410 -10.311 12.920 1.00 0.00 N ATOM 477 CA MET A 50 18.038 -11.649 13.344 1.00 0.00 C ATOM 478 C MET A 50 17.725 -12.476 12.106 1.00 0.00 C ATOM 479 O MET A 50 17.090 -11.980 11.175 1.00 0.00 O ATOM 480 CB MET A 50 16.826 -11.611 14.284 1.00 0.00 C ATOM 481 CG MET A 50 17.165 -11.234 15.723 1.00 0.00 C ATOM 482 SD MET A 50 18.088 -12.524 16.580 1.00 0.00 S ATOM 483 CE MET A 50 19.700 -11.756 16.721 1.00 0.00 C ATOM 0 H MET A 50 17.654 -9.628 12.968 1.00 0.00 H new ATOM 0 HA MET A 50 18.864 -12.099 13.895 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.100 -10.898 13.894 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.346 -12.589 14.280 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.748 -10.313 15.725 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.243 -11.029 16.268 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.452 -12.521 16.911 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.938 -11.236 15.793 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.692 -11.043 17.545 1.00 0.00 H new ATOM 493 N THR A 51 18.192 -13.712 12.077 1.00 0.00 N ATOM 494 CA THR A 51 18.002 -14.562 10.918 1.00 0.00 C ATOM 495 C THR A 51 16.531 -14.948 10.755 1.00 0.00 C ATOM 496 O THR A 51 15.814 -15.116 11.741 1.00 0.00 O ATOM 497 CB THR A 51 18.857 -15.834 11.031 1.00 0.00 C ATOM 498 OG1 THR A 51 19.729 -15.733 12.168 1.00 0.00 O ATOM 499 CG2 THR A 51 19.680 -16.049 9.767 1.00 0.00 C ATOM 0 H THR A 51 18.705 -14.148 12.843 1.00 0.00 H new ATOM 0 HA THR A 51 18.316 -13.997 10.041 1.00 0.00 H new ATOM 0 HB THR A 51 18.191 -16.687 11.157 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.462 -16.390 12.844 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.277 -16.955 9.871 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.013 -16.150 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.340 -15.196 9.613 1.00 0.00 H new ATOM 507 N GLN A 52 16.093 -15.084 9.503 1.00 0.00 N ATOM 508 CA GLN A 52 14.711 -15.437 9.189 1.00 0.00 C ATOM 509 C GLN A 52 14.314 -16.755 9.844 1.00 0.00 C ATOM 510 O GLN A 52 13.142 -16.979 10.137 1.00 0.00 O ATOM 511 CB GLN A 52 14.510 -15.516 7.675 1.00 0.00 C ATOM 512 CG GLN A 52 15.590 -16.306 6.952 1.00 0.00 C ATOM 513 CD GLN A 52 15.071 -16.995 5.709 1.00 0.00 C ATOM 514 OE1 GLN A 52 14.181 -17.841 5.781 1.00 0.00 O ATOM 515 NE2 GLN A 52 15.617 -16.634 4.558 1.00 0.00 N ATOM 0 H GLN A 52 16.684 -14.953 8.682 1.00 0.00 H new ATOM 0 HA GLN A 52 14.067 -14.654 9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.541 -15.971 7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.479 -14.505 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.404 -15.635 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.005 -17.052 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.353 -15.928 4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.301 -17.062 3.687 1.00 0.00 H new ATOM 524 N GLN A 53 15.297 -17.614 10.085 1.00 0.00 N ATOM 525 CA GLN A 53 15.065 -18.864 10.794 1.00 0.00 C ATOM 526 C GLN A 53 14.600 -18.577 12.218 1.00 0.00 C ATOM 527 O GLN A 53 13.661 -19.190 12.712 1.00 0.00 O ATOM 528 CB GLN A 53 16.347 -19.703 10.820 1.00 0.00 C ATOM 529 CG GLN A 53 16.282 -20.978 9.985 1.00 0.00 C ATOM 530 CD GLN A 53 15.061 -21.049 9.085 1.00 0.00 C ATOM 531 OE1 GLN A 53 14.047 -21.651 9.436 1.00 0.00 O ATOM 532 NE2 GLN A 53 15.156 -20.447 7.911 1.00 0.00 N ATOM 0 H GLN A 53 16.265 -17.466 9.798 1.00 0.00 H new ATOM 0 HA GLN A 53 14.289 -19.425 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.175 -19.091 10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.571 -19.970 11.853 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.180 -21.048 9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.283 -21.840 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.014 -19.958 7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.371 -20.472 7.260 1.00 0.00 H new ATOM 541 N GLN A 54 15.249 -17.613 12.853 1.00 0.00 N ATOM 542 CA GLN A 54 14.927 -17.234 14.223 1.00 0.00 C ATOM 543 C GLN A 54 13.647 -16.409 14.262 1.00 0.00 C ATOM 544 O GLN A 54 12.880 -16.476 15.223 1.00 0.00 O ATOM 545 CB GLN A 54 16.085 -16.449 14.838 1.00 0.00 C ATOM 546 CG GLN A 54 17.143 -17.333 15.479 1.00 0.00 C ATOM 547 CD GLN A 54 17.866 -18.202 14.467 1.00 0.00 C ATOM 548 OE1 GLN A 54 18.646 -17.709 13.655 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.599 -19.499 14.492 1.00 0.00 N ATOM 0 H GLN A 54 16.009 -17.074 12.438 1.00 0.00 H new ATOM 0 HA GLN A 54 14.769 -18.141 14.807 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.552 -15.839 14.064 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.691 -15.764 15.589 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.868 -16.707 15.999 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.674 -17.969 16.230 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.946 -19.872 15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.047 -20.125 13.822 1.00 0.00 H new ATOM 558 N VAL A 55 13.421 -15.627 13.212 1.00 0.00 N ATOM 559 CA VAL A 55 12.183 -14.873 13.078 1.00 0.00 C ATOM 560 C VAL A 55 11.010 -15.837 12.940 1.00 0.00 C ATOM 561 O VAL A 55 9.976 -15.674 13.586 1.00 0.00 O ATOM 562 CB VAL A 55 12.218 -13.921 11.860 1.00 0.00 C ATOM 563 CG1 VAL A 55 10.932 -13.115 11.767 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.419 -12.990 11.937 1.00 0.00 C ATOM 0 H VAL A 55 14.079 -15.500 12.443 1.00 0.00 H new ATOM 0 HA VAL A 55 12.065 -14.264 13.974 1.00 0.00 H new ATOM 0 HB VAL A 55 12.309 -14.530 10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.980 -12.452 10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.085 -13.792 11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.808 -12.521 12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.423 -12.329 11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.359 -12.394 12.847 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.336 -13.579 11.949 1.00 0.00 H new ATOM 574 N ALA A 56 11.198 -16.859 12.113 1.00 0.00 N ATOM 575 CA ALA A 56 10.179 -17.879 11.912 1.00 0.00 C ATOM 576 C ALA A 56 9.960 -18.678 13.188 1.00 0.00 C ATOM 577 O ALA A 56 8.831 -19.039 13.518 1.00 0.00 O ATOM 578 CB ALA A 56 10.569 -18.809 10.772 1.00 0.00 C ATOM 0 H ALA A 56 12.050 -17.002 11.570 1.00 0.00 H new ATOM 0 HA ALA A 56 9.246 -17.379 11.650 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.795 -19.564 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.677 -18.233 9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.515 -19.297 11.008 1.00 0.00 H new ATOM 584 N TYR A 57 11.051 -18.940 13.899 1.00 0.00 N ATOM 585 CA TYR A 57 11.010 -19.692 15.145 1.00 0.00 C ATOM 586 C TYR A 57 10.180 -18.974 16.204 1.00 0.00 C ATOM 587 O TYR A 57 9.302 -19.568 16.830 1.00 0.00 O ATOM 588 CB TYR A 57 12.428 -19.910 15.671 1.00 0.00 C ATOM 589 CG TYR A 57 12.985 -21.283 15.376 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.778 -21.890 14.144 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.722 -21.968 16.330 1.00 0.00 C ATOM 592 CE1 TYR A 57 13.290 -23.143 13.872 1.00 0.00 C ATOM 593 CE2 TYR A 57 14.238 -23.220 16.067 1.00 0.00 C ATOM 594 CZ TYR A 57 14.019 -23.803 14.836 1.00 0.00 C ATOM 595 OH TYR A 57 14.535 -25.051 14.568 1.00 0.00 O ATOM 0 H TYR A 57 11.986 -18.637 13.628 1.00 0.00 H new ATOM 0 HA TYR A 57 10.541 -20.654 14.937 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.087 -19.160 15.234 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.434 -19.750 16.749 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.207 -21.373 13.386 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.895 -21.514 17.295 1.00 0.00 H new ATOM 0 HE1 TYR A 57 13.120 -23.603 12.910 1.00 0.00 H new ATOM 0 HE2 TYR A 57 14.810 -23.741 16.820 1.00 0.00 H new ATOM 0 HH TYR A 57 15.024 -25.378 15.352 1.00 0.00 H new ATOM 605 N ALA A 58 10.463 -17.693 16.394 1.00 0.00 N ATOM 606 CA ALA A 58 9.807 -16.906 17.429 1.00 0.00 C ATOM 607 C ALA A 58 8.366 -16.551 17.062 1.00 0.00 C ATOM 608 O ALA A 58 7.456 -16.706 17.877 1.00 0.00 O ATOM 609 CB ALA A 58 10.606 -15.642 17.705 1.00 0.00 C ATOM 0 H ALA A 58 11.146 -17.174 15.842 1.00 0.00 H new ATOM 0 HA ALA A 58 9.768 -17.519 18.330 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.109 -15.059 18.480 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.608 -15.911 18.040 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.675 -15.049 16.793 1.00 0.00 H new ATOM 615 N LEU A 59 8.163 -16.073 15.843 1.00 0.00 N ATOM 616 CA LEU A 59 6.851 -15.610 15.407 1.00 0.00 C ATOM 617 C LEU A 59 5.916 -16.775 15.095 1.00 0.00 C ATOM 618 O LEU A 59 4.747 -16.761 15.481 1.00 0.00 O ATOM 619 CB LEU A 59 7.002 -14.714 14.178 1.00 0.00 C ATOM 620 CG LEU A 59 6.908 -13.213 14.454 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.935 -12.783 15.485 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.090 -12.422 13.169 1.00 0.00 C ATOM 0 H LEU A 59 8.893 -15.995 15.135 1.00 0.00 H new ATOM 0 HA LEU A 59 6.407 -15.041 16.224 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.965 -14.922 13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.233 -14.983 13.454 1.00 0.00 H new ATOM 0 HG LEU A 59 5.915 -13.007 14.855 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.846 -11.711 15.662 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.762 -13.321 16.417 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.936 -13.008 15.117 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.020 -11.356 13.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.068 -12.642 12.742 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.312 -12.700 12.457 1.00 0.00 H new ATOM 634 N GLY A 60 6.431 -17.781 14.407 1.00 0.00 N ATOM 635 CA GLY A 60 5.599 -18.893 13.998 1.00 0.00 C ATOM 636 C GLY A 60 5.273 -18.842 12.520 1.00 0.00 C ATOM 637 O GLY A 60 4.111 -18.948 12.125 1.00 0.00 O ATOM 0 H GLY A 60 7.409 -17.848 14.124 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.108 -19.830 14.225 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.674 -18.885 14.574 1.00 0.00 H new ATOM 641 N THR A 61 6.302 -18.676 11.706 1.00 0.00 N ATOM 642 CA THR A 61 6.137 -18.581 10.265 1.00 0.00 C ATOM 643 C THR A 61 5.900 -19.958 9.645 1.00 0.00 C ATOM 644 O THR A 61 6.580 -20.928 9.988 1.00 0.00 O ATOM 645 CB THR A 61 7.382 -17.936 9.622 1.00 0.00 C ATOM 646 OG1 THR A 61 7.720 -16.733 10.327 1.00 0.00 O ATOM 647 CG2 THR A 61 7.153 -17.618 8.150 1.00 0.00 C ATOM 0 H THR A 61 7.269 -18.604 12.022 1.00 0.00 H new ATOM 0 HA THR A 61 5.265 -17.957 10.072 1.00 0.00 H new ATOM 0 HB THR A 61 8.202 -18.651 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.548 -16.360 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.052 -17.165 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.925 -18.537 7.610 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.318 -16.924 8.053 1.00 0.00 H new ATOM 655 N PRO A 62 4.912 -20.065 8.744 1.00 0.00 N ATOM 656 CA PRO A 62 4.628 -21.305 8.019 1.00 0.00 C ATOM 657 C PRO A 62 5.763 -21.671 7.067 1.00 0.00 C ATOM 658 O PRO A 62 6.425 -20.791 6.508 1.00 0.00 O ATOM 659 CB PRO A 62 3.353 -20.990 7.224 1.00 0.00 C ATOM 660 CG PRO A 62 2.809 -19.735 7.821 1.00 0.00 C ATOM 661 CD PRO A 62 3.988 -18.987 8.361 1.00 0.00 C ATOM 0 HA PRO A 62 4.516 -22.153 8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.574 -20.857 6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.633 -21.805 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.282 -19.144 7.072 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.093 -19.958 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.425 -18.327 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.716 -18.365 9.214 1.00 0.00 H new ATOM 669 N LEU A 63 5.992 -22.965 6.894 1.00 0.00 N ATOM 670 CA LEU A 63 7.037 -23.431 5.997 1.00 0.00 C ATOM 671 C LEU A 63 6.651 -23.148 4.546 1.00 0.00 C ATOM 672 O LEU A 63 5.573 -23.533 4.084 1.00 0.00 O ATOM 673 CB LEU A 63 7.320 -24.927 6.228 1.00 0.00 C ATOM 674 CG LEU A 63 6.646 -25.903 5.256 1.00 0.00 C ATOM 675 CD1 LEU A 63 7.636 -26.958 4.792 1.00 0.00 C ATOM 676 CD2 LEU A 63 5.437 -26.557 5.909 1.00 0.00 C ATOM 0 H LEU A 63 5.470 -23.707 7.361 1.00 0.00 H new ATOM 0 HA LEU A 63 7.957 -22.887 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.398 -25.083 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.008 -25.182 7.241 1.00 0.00 H new ATOM 0 HG LEU A 63 6.305 -25.343 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.142 -27.643 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.472 -26.475 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.005 -27.514 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.971 -27.246 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.755 -27.105 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.718 -25.789 6.194 1.00 0.00 H new ATOM 688 N MET A 64 7.516 -22.431 3.845 1.00 0.00 N ATOM 689 CA MET A 64 7.269 -22.081 2.457 1.00 0.00 C ATOM 690 C MET A 64 8.566 -22.125 1.663 1.00 0.00 C ATOM 691 O MET A 64 9.653 -22.021 2.234 1.00 0.00 O ATOM 692 CB MET A 64 6.635 -20.691 2.357 1.00 0.00 C ATOM 693 CG MET A 64 5.336 -20.673 1.569 1.00 0.00 C ATOM 694 SD MET A 64 4.031 -19.762 2.413 1.00 0.00 S ATOM 695 CE MET A 64 3.043 -21.111 3.063 1.00 0.00 C ATOM 0 H MET A 64 8.398 -22.080 4.217 1.00 0.00 H new ATOM 0 HA MET A 64 6.575 -22.809 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.446 -20.313 3.362 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.345 -20.009 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.514 -20.225 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.006 -21.697 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.193 -20.707 3.614 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.682 -21.727 2.240 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.652 -21.719 3.731 1.00 0.00 H new ATOM 705 N SER A 65 8.449 -22.285 0.355 1.00 0.00 N ATOM 706 CA SER A 65 9.612 -22.364 -0.509 1.00 0.00 C ATOM 707 C SER A 65 9.555 -21.304 -1.607 1.00 0.00 C ATOM 708 O SER A 65 8.556 -21.184 -2.319 1.00 0.00 O ATOM 709 CB SER A 65 9.694 -23.759 -1.129 1.00 0.00 C ATOM 710 OG SER A 65 8.642 -24.588 -0.653 1.00 0.00 O ATOM 0 H SER A 65 7.556 -22.363 -0.132 1.00 0.00 H new ATOM 0 HA SER A 65 10.503 -22.178 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.639 -23.683 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.656 -24.212 -0.889 1.00 0.00 H new ATOM 0 HG SER A 65 8.713 -25.475 -1.064 1.00 0.00 H new ATOM 716 N ASP A 66 10.620 -20.523 -1.719 1.00 0.00 N ATOM 717 CA ASP A 66 10.748 -19.539 -2.772 1.00 0.00 C ATOM 718 C ASP A 66 12.082 -19.745 -3.474 1.00 0.00 C ATOM 719 O ASP A 66 13.140 -19.716 -2.841 1.00 0.00 O ATOM 720 CB ASP A 66 10.649 -18.124 -2.198 1.00 0.00 C ATOM 721 CG ASP A 66 11.374 -17.101 -3.046 1.00 0.00 C ATOM 722 OD1 ASP A 66 10.788 -16.608 -4.028 1.00 0.00 O ATOM 723 OD2 ASP A 66 12.539 -16.788 -2.734 1.00 0.00 O ATOM 0 H ASP A 66 11.415 -20.557 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 66 9.938 -19.661 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.599 -17.843 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.064 -18.115 -1.190 1.00 0.00 H new ATOM 728 N PRO A 67 12.052 -19.991 -4.783 1.00 0.00 N ATOM 729 CA PRO A 67 13.251 -20.307 -5.553 1.00 0.00 C ATOM 730 C PRO A 67 13.988 -19.077 -6.061 1.00 0.00 C ATOM 731 O PRO A 67 15.061 -19.194 -6.655 1.00 0.00 O ATOM 732 CB PRO A 67 12.683 -21.101 -6.720 1.00 0.00 C ATOM 733 CG PRO A 67 11.332 -20.512 -6.957 1.00 0.00 C ATOM 734 CD PRO A 67 10.841 -20.001 -5.627 1.00 0.00 C ATOM 0 HA PRO A 67 13.994 -20.833 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.314 -21.012 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.616 -22.162 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.385 -19.704 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.649 -21.260 -7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.408 -19.005 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.069 -20.648 -5.211 1.00 0.00 H new ATOM 742 N PHE A 68 13.434 -17.901 -5.816 1.00 0.00 N ATOM 743 CA PHE A 68 13.954 -16.696 -6.450 1.00 0.00 C ATOM 744 C PHE A 68 14.814 -15.865 -5.506 1.00 0.00 C ATOM 745 O PHE A 68 15.711 -15.146 -5.947 1.00 0.00 O ATOM 746 CB PHE A 68 12.809 -15.851 -7.006 1.00 0.00 C ATOM 747 CG PHE A 68 12.605 -16.052 -8.478 1.00 0.00 C ATOM 748 CD1 PHE A 68 13.397 -15.381 -9.393 1.00 0.00 C ATOM 749 CD2 PHE A 68 11.634 -16.922 -8.945 1.00 0.00 C ATOM 750 CE1 PHE A 68 13.223 -15.573 -10.748 1.00 0.00 C ATOM 751 CE2 PHE A 68 11.456 -17.119 -10.299 1.00 0.00 C ATOM 752 CZ PHE A 68 12.252 -16.443 -11.201 1.00 0.00 C ATOM 0 H PHE A 68 12.639 -17.753 -5.195 1.00 0.00 H new ATOM 0 HA PHE A 68 14.597 -17.018 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.889 -16.101 -6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.012 -14.798 -6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.159 -14.700 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.009 -17.452 -8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.846 -15.043 -11.453 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.696 -17.800 -10.652 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.115 -16.595 -12.262 1.00 0.00 H new ATOM 762 N GLY A 69 14.561 -15.968 -4.214 1.00 0.00 N ATOM 763 CA GLY A 69 15.335 -15.214 -3.255 1.00 0.00 C ATOM 764 C GLY A 69 14.554 -14.035 -2.736 1.00 0.00 C ATOM 765 O GLY A 69 15.114 -12.973 -2.456 1.00 0.00 O ATOM 0 H GLY A 69 13.834 -16.560 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.620 -15.860 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.258 -14.867 -3.720 1.00 0.00 H new ATOM 769 N THR A 70 13.251 -14.222 -2.618 1.00 0.00 N ATOM 770 CA THR A 70 12.380 -13.189 -2.113 1.00 0.00 C ATOM 771 C THR A 70 12.514 -13.114 -0.597 1.00 0.00 C ATOM 772 O THR A 70 11.738 -13.716 0.145 1.00 0.00 O ATOM 773 CB THR A 70 10.910 -13.458 -2.499 1.00 0.00 C ATOM 774 OG1 THR A 70 10.836 -13.958 -3.845 1.00 0.00 O ATOM 775 CG2 THR A 70 10.075 -12.190 -2.386 1.00 0.00 C ATOM 0 H THR A 70 12.775 -15.089 -2.869 1.00 0.00 H new ATOM 0 HA THR A 70 12.674 -12.239 -2.559 1.00 0.00 H new ATOM 0 HB THR A 70 10.512 -14.202 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.463 -14.864 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.044 -12.408 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.105 -11.825 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.478 -11.429 -3.054 1.00 0.00 H new ATOM 783 N ASN A 71 13.513 -12.370 -0.146 1.00 0.00 N ATOM 784 CA ASN A 71 13.819 -12.276 1.272 1.00 0.00 C ATOM 785 C ASN A 71 13.193 -11.023 1.865 1.00 0.00 C ATOM 786 O ASN A 71 13.859 -10.196 2.490 1.00 0.00 O ATOM 787 CB ASN A 71 15.338 -12.297 1.491 1.00 0.00 C ATOM 788 CG ASN A 71 15.873 -13.704 1.733 1.00 0.00 C ATOM 789 OD1 ASN A 71 16.483 -13.988 2.765 1.00 0.00 O ATOM 790 ND2 ASN A 71 15.650 -14.598 0.779 1.00 0.00 N ATOM 0 H ASN A 71 14.128 -11.820 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 71 13.394 -13.139 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.833 -11.868 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.588 -11.665 2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.987 -15.555 0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.141 -14.329 -0.063 1.00 0.00 H new ATOM 797 N THR A 72 11.899 -10.886 1.640 1.00 0.00 N ATOM 798 CA THR A 72 11.124 -9.802 2.208 1.00 0.00 C ATOM 799 C THR A 72 9.791 -10.337 2.708 1.00 0.00 C ATOM 800 O THR A 72 9.005 -10.887 1.935 1.00 0.00 O ATOM 801 CB THR A 72 10.875 -8.684 1.181 1.00 0.00 C ATOM 802 OG1 THR A 72 11.572 -8.973 -0.043 1.00 0.00 O ATOM 803 CG2 THR A 72 11.330 -7.335 1.715 1.00 0.00 C ATOM 0 H THR A 72 11.357 -11.524 1.058 1.00 0.00 H new ATOM 0 HA THR A 72 11.694 -9.379 3.036 1.00 0.00 H new ATOM 0 HB THR A 72 9.803 -8.638 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.406 -8.257 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.141 -6.565 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.779 -7.099 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.397 -7.372 1.936 1.00 0.00 H new ATOM 811 N TRP A 73 9.543 -10.185 3.996 1.00 0.00 N ATOM 812 CA TRP A 73 8.353 -10.750 4.610 1.00 0.00 C ATOM 813 C TRP A 73 7.321 -9.670 4.877 1.00 0.00 C ATOM 814 O TRP A 73 7.626 -8.642 5.475 1.00 0.00 O ATOM 815 CB TRP A 73 8.723 -11.469 5.910 1.00 0.00 C ATOM 816 CG TRP A 73 9.018 -12.925 5.716 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.787 -13.661 4.589 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.607 -13.823 6.667 1.00 0.00 C ATOM 819 NE1 TRP A 73 9.196 -14.958 4.779 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.702 -15.084 6.048 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.059 -13.681 7.980 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.236 -16.196 6.699 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.588 -14.785 8.625 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.672 -16.027 7.985 1.00 0.00 C ATOM 0 H TRP A 73 10.149 -9.675 4.638 1.00 0.00 H new ATOM 0 HA TRP A 73 7.917 -11.472 3.920 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.594 -10.984 6.351 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.905 -11.362 6.622 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.347 -13.278 3.680 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.134 -15.706 4.089 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.997 -12.727 8.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.303 -17.155 6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.942 -14.687 9.640 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.089 -16.869 8.517 1.00 0.00 H new ATOM 835 N PHE A 74 6.103 -9.904 4.419 1.00 0.00 N ATOM 836 CA PHE A 74 5.016 -8.973 4.644 1.00 0.00 C ATOM 837 C PHE A 74 3.993 -9.593 5.591 1.00 0.00 C ATOM 838 O PHE A 74 3.602 -10.749 5.429 1.00 0.00 O ATOM 839 CB PHE A 74 4.378 -8.557 3.301 1.00 0.00 C ATOM 840 CG PHE A 74 2.904 -8.855 3.165 1.00 0.00 C ATOM 841 CD1 PHE A 74 1.953 -7.957 3.632 1.00 0.00 C ATOM 842 CD2 PHE A 74 2.472 -10.029 2.566 1.00 0.00 C ATOM 843 CE1 PHE A 74 0.604 -8.227 3.502 1.00 0.00 C ATOM 844 CE2 PHE A 74 1.124 -10.302 2.435 1.00 0.00 C ATOM 845 CZ PHE A 74 0.190 -9.401 2.904 1.00 0.00 C ATOM 0 H PHE A 74 5.844 -10.735 3.887 1.00 0.00 H new ATOM 0 HA PHE A 74 5.403 -8.068 5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.529 -7.487 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.909 -9.061 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.271 -7.038 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.198 -10.738 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.126 -7.520 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.802 -11.220 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.864 -9.614 2.803 1.00 0.00 H new ATOM 855 N TYR A 75 3.600 -8.833 6.600 1.00 0.00 N ATOM 856 CA TYR A 75 2.612 -9.288 7.563 1.00 0.00 C ATOM 857 C TYR A 75 1.616 -8.174 7.850 1.00 0.00 C ATOM 858 O TYR A 75 1.993 -7.008 7.952 1.00 0.00 O ATOM 859 CB TYR A 75 3.305 -9.729 8.854 1.00 0.00 C ATOM 860 CG TYR A 75 3.822 -11.148 8.804 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.950 -12.223 8.691 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.185 -11.413 8.868 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.421 -13.521 8.639 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.663 -12.708 8.817 1.00 0.00 C ATOM 865 CZ TYR A 75 4.779 -13.758 8.704 1.00 0.00 C ATOM 866 OH TYR A 75 5.253 -15.048 8.649 1.00 0.00 O ATOM 0 H TYR A 75 3.953 -7.892 6.774 1.00 0.00 H new ATOM 0 HA TYR A 75 2.074 -10.140 7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.136 -9.055 9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.605 -9.635 9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.886 -12.042 8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.882 -10.593 8.959 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.730 -14.346 8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.725 -12.896 8.866 1.00 0.00 H new ATOM 0 HH TYR A 75 6.089 -15.111 9.157 1.00 0.00 H new ATOM 876 N VAL A 76 0.349 -8.527 7.967 1.00 0.00 N ATOM 877 CA VAL A 76 -0.687 -7.539 8.207 1.00 0.00 C ATOM 878 C VAL A 76 -1.469 -7.880 9.471 1.00 0.00 C ATOM 879 O VAL A 76 -2.035 -8.968 9.599 1.00 0.00 O ATOM 880 CB VAL A 76 -1.644 -7.400 6.993 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.149 -8.754 6.519 1.00 0.00 C ATOM 882 CG2 VAL A 76 -2.804 -6.473 7.320 1.00 0.00 C ATOM 0 H VAL A 76 0.013 -9.488 7.900 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.196 -6.576 8.347 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.074 -6.959 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.816 -8.616 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.303 -9.374 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.690 -9.244 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.460 -6.392 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.365 -6.875 8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.420 -5.486 7.578 1.00 0.00 H new ATOM 892 N PHE A 77 -1.466 -6.955 10.417 1.00 0.00 N ATOM 893 CA PHE A 77 -2.167 -7.143 11.674 1.00 0.00 C ATOM 894 C PHE A 77 -2.838 -5.849 12.102 1.00 0.00 C ATOM 895 O PHE A 77 -2.358 -4.755 11.789 1.00 0.00 O ATOM 896 CB PHE A 77 -1.205 -7.624 12.768 1.00 0.00 C ATOM 897 CG PHE A 77 0.123 -6.910 12.786 1.00 0.00 C ATOM 898 CD1 PHE A 77 0.234 -5.628 13.301 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.261 -7.526 12.287 1.00 0.00 C ATOM 900 CE1 PHE A 77 1.450 -4.973 13.318 1.00 0.00 C ATOM 901 CE2 PHE A 77 2.478 -6.875 12.302 1.00 0.00 C ATOM 902 CZ PHE A 77 2.573 -5.597 12.818 1.00 0.00 C ATOM 0 H PHE A 77 -0.982 -6.061 10.336 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.931 -7.906 11.527 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.685 -7.498 13.738 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.028 -8.691 12.636 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.642 -5.134 13.694 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.194 -8.525 11.883 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.521 -3.974 13.722 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.357 -7.365 11.910 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.525 -5.088 12.830 1.00 0.00 H new ATOM 912 N ARG A 78 -3.941 -5.960 12.817 1.00 0.00 N ATOM 913 CA ARG A 78 -4.637 -4.782 13.281 1.00 0.00 C ATOM 914 C ARG A 78 -4.398 -4.585 14.776 1.00 0.00 C ATOM 915 O ARG A 78 -4.762 -5.416 15.608 1.00 0.00 O ATOM 916 CB ARG A 78 -6.135 -4.842 12.911 1.00 0.00 C ATOM 917 CG ARG A 78 -7.065 -5.335 14.009 1.00 0.00 C ATOM 918 CD ARG A 78 -8.114 -4.291 14.356 1.00 0.00 C ATOM 919 NE ARG A 78 -9.099 -4.801 15.305 1.00 0.00 N ATOM 920 CZ ARG A 78 -9.033 -4.621 16.623 1.00 0.00 C ATOM 921 NH1 ARG A 78 -8.060 -3.883 17.154 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.960 -5.165 17.404 1.00 0.00 N ATOM 0 H ARG A 78 -4.369 -6.846 13.086 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.235 -3.904 12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.456 -3.845 12.608 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.251 -5.491 12.043 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.556 -6.254 13.687 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.484 -5.579 14.898 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.626 -3.412 14.777 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.620 -3.969 13.446 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.889 -5.329 14.935 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.360 -3.452 16.551 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.015 -3.749 18.164 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.714 -5.715 16.993 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.917 -5.032 18.414 1.00 0.00 H new ATOM 936 N GLN A 79 -3.711 -3.504 15.096 1.00 0.00 N ATOM 937 CA GLN A 79 -3.463 -3.139 16.476 1.00 0.00 C ATOM 938 C GLN A 79 -4.311 -1.922 16.835 1.00 0.00 C ATOM 939 O GLN A 79 -5.517 -1.910 16.572 1.00 0.00 O ATOM 940 CB GLN A 79 -1.966 -2.875 16.706 1.00 0.00 C ATOM 941 CG GLN A 79 -1.325 -1.917 15.707 1.00 0.00 C ATOM 942 CD GLN A 79 -0.307 -1.005 16.358 1.00 0.00 C ATOM 943 OE1 GLN A 79 -0.582 -0.384 17.383 1.00 0.00 O ATOM 944 NE2 GLN A 79 0.877 -0.931 15.773 1.00 0.00 N ATOM 0 H GLN A 79 -3.313 -2.860 14.412 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.747 -3.964 17.129 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.832 -2.473 17.710 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.434 -3.826 16.669 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.842 -2.490 14.915 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.101 -1.314 15.236 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.060 -1.465 14.923 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.607 -0.340 16.172 1.00 0.00 H new ATOM 953 N GLN A 80 -3.690 -0.906 17.418 1.00 0.00 N ATOM 954 CA GLN A 80 -4.374 0.340 17.709 1.00 0.00 C ATOM 955 C GLN A 80 -4.765 1.024 16.394 1.00 0.00 C ATOM 956 O GLN A 80 -3.945 1.141 15.478 1.00 0.00 O ATOM 957 CB GLN A 80 -3.470 1.236 18.573 1.00 0.00 C ATOM 958 CG GLN A 80 -3.547 2.723 18.252 1.00 0.00 C ATOM 959 CD GLN A 80 -2.275 3.242 17.610 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.202 3.222 18.214 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.383 3.708 16.377 1.00 0.00 N ATOM 0 H GLN A 80 -2.710 -0.924 17.699 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.287 0.147 18.273 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.734 1.091 19.621 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.438 0.907 18.456 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.389 2.905 17.583 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.742 3.280 19.168 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.289 3.708 15.909 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.560 4.067 15.894 1.00 0.00 H new ATOM 970 N PRO A 81 -6.036 1.435 16.268 1.00 0.00 N ATOM 971 CA PRO A 81 -6.551 2.097 15.067 1.00 0.00 C ATOM 972 C PRO A 81 -6.097 3.553 14.965 1.00 0.00 C ATOM 973 O PRO A 81 -5.137 3.964 15.622 1.00 0.00 O ATOM 974 CB PRO A 81 -8.080 2.024 15.234 1.00 0.00 C ATOM 975 CG PRO A 81 -8.319 1.160 16.432 1.00 0.00 C ATOM 976 CD PRO A 81 -7.085 1.269 17.276 1.00 0.00 C ATOM 0 HA PRO A 81 -6.187 1.619 14.158 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.505 3.017 15.377 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.550 1.601 14.347 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.199 1.493 16.983 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.499 0.126 16.137 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.132 2.118 17.959 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.928 0.379 17.885 1.00 0.00 H new ATOM 984 N GLY A 82 -6.788 4.332 14.144 1.00 0.00 N ATOM 985 CA GLY A 82 -6.438 5.726 13.987 1.00 0.00 C ATOM 986 C GLY A 82 -7.566 6.545 13.402 1.00 0.00 C ATOM 987 O GLY A 82 -8.140 7.395 14.080 1.00 0.00 O ATOM 0 H GLY A 82 -7.583 4.022 13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.159 6.138 14.957 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.563 5.807 13.343 1.00 0.00 H new ATOM 991 N HIS A 83 -7.895 6.282 12.144 1.00 0.00 N ATOM 992 CA HIS A 83 -8.937 7.031 11.456 1.00 0.00 C ATOM 993 C HIS A 83 -9.391 6.287 10.205 1.00 0.00 C ATOM 994 O HIS A 83 -8.676 5.414 9.710 1.00 0.00 O ATOM 995 CB HIS A 83 -8.422 8.426 11.079 1.00 0.00 C ATOM 996 CG HIS A 83 -9.422 9.518 11.305 1.00 0.00 C ATOM 997 ND1 HIS A 83 -10.701 9.648 10.887 1.00 0.00 N flip ATOM 998 CD2 HIS A 83 -9.150 10.648 12.047 1.00 0.00 C flip ATOM 999 CE1 HIS A 83 -11.170 10.837 11.379 1.00 0.00 C flip ATOM 1000 NE2 HIS A 83 -10.218 11.420 12.073 1.00 0.00 N flip ATOM 0 H HIS A 83 -7.455 5.555 11.580 1.00 0.00 H new ATOM 0 HA HIS A 83 -9.789 7.136 12.127 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -7.525 8.641 11.659 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.130 8.424 10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -8.209 10.866 12.531 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.163 11.232 11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.293 12.318 12.551 1.00 0.00 H new ATOM 1009 N GLU A 84 -10.608 6.608 9.748 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.151 6.125 8.470 1.00 0.00 C ATOM 1011 C GLU A 84 -11.721 4.712 8.590 1.00 0.00 C ATOM 1012 O GLU A 84 -12.518 4.285 7.753 1.00 0.00 O ATOM 1013 CB GLU A 84 -10.093 6.165 7.357 1.00 0.00 C ATOM 1014 CG GLU A 84 -10.189 7.385 6.457 1.00 0.00 C ATOM 1015 CD GLU A 84 -10.241 8.680 7.237 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -9.217 9.055 7.846 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -11.309 9.326 7.247 1.00 0.00 O ATOM 0 H GLU A 84 -11.249 7.215 10.258 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.964 6.801 8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.102 6.138 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.189 5.267 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.331 7.404 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.080 7.304 5.835 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.310 3.985 9.620 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.746 2.608 9.788 1.00 0.00 C ATOM 1026 C GLY A 85 -11.008 1.654 8.863 1.00 0.00 C ATOM 1027 O GLY A 85 -10.677 0.533 9.247 1.00 0.00 O ATOM 0 H GLY A 85 -10.680 4.324 10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.588 2.303 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.817 2.542 9.596 1.00 0.00 H new ATOM 1031 N VAL A 86 -10.729 2.109 7.648 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.966 1.326 6.696 1.00 0.00 C ATOM 1033 C VAL A 86 -8.629 1.996 6.459 1.00 0.00 C ATOM 1034 O VAL A 86 -8.452 2.771 5.517 1.00 0.00 O ATOM 1035 CB VAL A 86 -10.694 1.162 5.349 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -10.101 0.001 4.567 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -12.186 0.961 5.554 1.00 0.00 C ATOM 0 H VAL A 86 -11.024 3.022 7.301 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.834 0.331 7.121 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.556 2.078 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.625 -0.103 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.044 0.191 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.208 -0.918 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.674 0.848 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.354 0.065 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.602 1.825 6.071 1.00 0.00 H new ATOM 1047 N THR A 87 -7.697 1.668 7.322 1.00 0.00 N ATOM 1048 CA THR A 87 -6.361 2.228 7.315 1.00 0.00 C ATOM 1049 C THR A 87 -5.522 1.374 8.254 1.00 0.00 C ATOM 1050 O THR A 87 -5.843 1.255 9.437 1.00 0.00 O ATOM 1051 CB THR A 87 -6.369 3.714 7.771 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.922 4.545 6.742 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.969 4.205 8.106 1.00 0.00 C ATOM 0 H THR A 87 -7.848 0.988 8.067 1.00 0.00 H new ATOM 0 HA THR A 87 -5.947 2.219 6.307 1.00 0.00 H new ATOM 0 HB THR A 87 -6.983 3.775 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.302 3.982 6.036 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.015 5.248 8.421 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.555 3.600 8.913 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.333 4.119 7.225 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.476 0.752 7.737 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.818 -0.314 8.474 1.00 0.00 C ATOM 1063 C GLN A 88 -2.308 -0.153 8.525 1.00 0.00 C ATOM 1064 O GLN A 88 -1.734 0.711 7.868 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.172 -1.652 7.843 1.00 0.00 C ATOM 1066 CG GLN A 88 -5.209 -2.440 8.622 1.00 0.00 C ATOM 1067 CD GLN A 88 -4.576 -3.358 9.645 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -4.028 -2.779 10.703 1.00 0.00 O flip ATOM 1069 NE2 GLN A 88 -4.580 -4.575 9.493 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.069 0.961 6.825 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.175 -0.267 9.503 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.543 -1.480 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.266 -2.252 7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.886 -1.749 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -5.811 -3.029 7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.012 -4.984 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.151 -5.178 10.195 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.688 -1.014 9.317 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.251 -1.008 9.512 1.00 0.00 C ATOM 1080 C GLN A 89 0.324 -2.327 9.018 1.00 0.00 C ATOM 1081 O GLN A 89 -0.257 -3.386 9.257 1.00 0.00 O ATOM 1082 CB GLN A 89 0.082 -0.806 10.993 1.00 0.00 C ATOM 1083 CG GLN A 89 -0.989 -1.328 11.946 1.00 0.00 C ATOM 1084 CD GLN A 89 -1.603 -0.234 12.802 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -0.941 0.730 13.170 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -2.878 -0.377 13.130 1.00 0.00 N ATOM 0 H GLN A 89 -2.173 -1.740 9.845 1.00 0.00 H new ATOM 0 HA GLN A 89 0.189 -0.186 8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.025 -1.305 11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.233 0.257 11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.775 -1.815 11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.552 -2.088 12.594 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.400 -1.192 12.807 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.339 0.328 13.706 1.00 0.00 H new ATOM 1095 N THR A 90 1.447 -2.265 8.326 1.00 0.00 N ATOM 1096 CA THR A 90 2.019 -3.453 7.715 1.00 0.00 C ATOM 1097 C THR A 90 3.427 -3.728 8.225 1.00 0.00 C ATOM 1098 O THR A 90 4.239 -2.812 8.368 1.00 0.00 O ATOM 1099 CB THR A 90 2.052 -3.320 6.181 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.182 -2.254 5.773 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.620 -4.618 5.514 1.00 0.00 C ATOM 0 H THR A 90 1.980 -1.409 8.173 1.00 0.00 H new ATOM 0 HA THR A 90 1.379 -4.290 7.994 1.00 0.00 H new ATOM 0 HB THR A 90 3.074 -3.100 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.205 -2.169 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.652 -4.499 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.294 -5.421 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.604 -4.865 5.822 1.00 0.00 H new ATOM 1109 N LEU A 91 3.694 -4.996 8.505 1.00 0.00 N ATOM 1110 CA LEU A 91 5.021 -5.443 8.899 1.00 0.00 C ATOM 1111 C LEU A 91 5.835 -5.761 7.656 1.00 0.00 C ATOM 1112 O LEU A 91 5.602 -6.776 6.999 1.00 0.00 O ATOM 1113 CB LEU A 91 4.927 -6.695 9.779 1.00 0.00 C ATOM 1114 CG LEU A 91 5.731 -6.664 11.083 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.110 -8.075 11.497 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.977 -5.800 10.944 1.00 0.00 C ATOM 0 H LEU A 91 2.999 -5.741 8.465 1.00 0.00 H new ATOM 0 HA LEU A 91 5.505 -4.649 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.879 -6.863 10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.257 -7.552 9.192 1.00 0.00 H new ATOM 0 HG LEU A 91 5.103 -6.223 11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.681 -8.041 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.206 -8.665 11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.715 -8.533 10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.526 -5.798 11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.612 -6.202 10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.686 -4.780 10.692 1.00 0.00 H new ATOM 1128 N THR A 92 6.770 -4.893 7.324 1.00 0.00 N ATOM 1129 CA THR A 92 7.626 -5.111 6.175 1.00 0.00 C ATOM 1130 C THR A 92 9.031 -5.497 6.627 1.00 0.00 C ATOM 1131 O THR A 92 9.797 -4.658 7.096 1.00 0.00 O ATOM 1132 CB THR A 92 7.690 -3.854 5.285 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.566 -3.001 5.555 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.698 -4.242 3.814 1.00 0.00 C ATOM 0 H THR A 92 6.956 -4.030 7.834 1.00 0.00 H new ATOM 0 HA THR A 92 7.201 -5.926 5.590 1.00 0.00 H new ATOM 0 HB THR A 92 8.611 -3.318 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.629 -2.657 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.743 -3.342 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.567 -4.866 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.789 -4.796 3.579 1.00 0.00 H new ATOM 1142 N LEU A 93 9.358 -6.771 6.500 1.00 0.00 N ATOM 1143 CA LEU A 93 10.656 -7.274 6.913 1.00 0.00 C ATOM 1144 C LEU A 93 11.585 -7.388 5.718 1.00 0.00 C ATOM 1145 O LEU A 93 11.311 -8.138 4.782 1.00 0.00 O ATOM 1146 CB LEU A 93 10.503 -8.637 7.577 1.00 0.00 C ATOM 1147 CG LEU A 93 9.763 -8.618 8.915 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.453 -9.382 8.816 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.635 -9.202 10.014 1.00 0.00 C ATOM 0 H LEU A 93 8.737 -7.481 6.111 1.00 0.00 H new ATOM 0 HA LEU A 93 11.086 -6.573 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.973 -9.301 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.494 -9.064 7.732 1.00 0.00 H new ATOM 0 HG LEU A 93 9.537 -7.581 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.943 -9.356 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.820 -8.922 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.655 -10.417 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.092 -9.180 10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.892 -10.232 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.548 -8.613 10.106 1.00 0.00 H new ATOM 1161 N THR A 94 12.674 -6.651 5.757 1.00 0.00 N ATOM 1162 CA THR A 94 13.644 -6.681 4.689 1.00 0.00 C ATOM 1163 C THR A 94 14.923 -7.318 5.189 1.00 0.00 C ATOM 1164 O THR A 94 15.602 -6.766 6.052 1.00 0.00 O ATOM 1165 CB THR A 94 13.941 -5.265 4.162 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.781 -4.431 4.297 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.377 -5.306 2.707 1.00 0.00 C ATOM 0 H THR A 94 12.909 -6.020 6.523 1.00 0.00 H new ATOM 0 HA THR A 94 13.232 -7.267 3.868 1.00 0.00 H new ATOM 0 HB THR A 94 14.755 -4.849 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.059 -3.517 4.514 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.581 -4.293 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.280 -5.910 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.584 -5.745 2.102 1.00 0.00 H new ATOM 1175 N PHE A 95 15.233 -8.495 4.676 1.00 0.00 N ATOM 1176 CA PHE A 95 16.420 -9.193 5.097 1.00 0.00 C ATOM 1177 C PHE A 95 17.265 -9.557 3.899 1.00 0.00 C ATOM 1178 O PHE A 95 16.743 -9.820 2.815 1.00 0.00 O ATOM 1179 CB PHE A 95 16.090 -10.443 5.936 1.00 0.00 C ATOM 1180 CG PHE A 95 14.832 -11.185 5.565 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.580 -10.640 5.804 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.907 -12.448 5.006 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.433 -11.336 5.484 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.762 -13.152 4.688 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.524 -12.595 4.926 1.00 0.00 C ATOM 0 H PHE A 95 14.678 -8.980 3.971 1.00 0.00 H new ATOM 0 HA PHE A 95 16.988 -8.520 5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.929 -11.135 5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.014 -10.143 6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.502 -9.658 6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.874 -12.890 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.464 -10.896 5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.837 -14.138 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.627 -13.143 4.676 1.00 0.00 H new ATOM 1195 N ASN A 96 18.572 -9.540 4.090 1.00 0.00 N ATOM 1196 CA ASN A 96 19.492 -9.915 3.037 1.00 0.00 C ATOM 1197 C ASN A 96 19.408 -11.422 2.810 1.00 0.00 C ATOM 1198 O ASN A 96 18.823 -12.130 3.628 1.00 0.00 O ATOM 1199 CB ASN A 96 20.919 -9.465 3.391 1.00 0.00 C ATOM 1200 CG ASN A 96 21.812 -10.595 3.864 1.00 0.00 C ATOM 1201 OD1 ASN A 96 21.552 -11.225 4.890 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.874 -10.854 3.116 1.00 0.00 N ATOM 0 H ASN A 96 19.018 -9.270 4.966 1.00 0.00 H new ATOM 0 HA ASN A 96 19.219 -9.415 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.371 -8.998 2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.868 -8.703 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.515 -11.601 3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.050 -10.306 2.274 1.00 0.00 H new ATOM 1209 N SER A 97 20.003 -11.897 1.717 1.00 0.00 N ATOM 1210 CA SER A 97 19.870 -13.286 1.268 1.00 0.00 C ATOM 1211 C SER A 97 20.246 -14.321 2.343 1.00 0.00 C ATOM 1212 O SER A 97 19.844 -15.483 2.256 1.00 0.00 O ATOM 1213 CB SER A 97 20.735 -13.481 0.025 1.00 0.00 C ATOM 1214 OG SER A 97 21.289 -12.242 -0.390 1.00 0.00 O ATOM 0 H SER A 97 20.595 -11.327 1.113 1.00 0.00 H new ATOM 0 HA SER A 97 18.817 -13.458 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.534 -14.191 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.136 -13.907 -0.780 1.00 0.00 H new ATOM 0 HG SER A 97 21.843 -12.382 -1.187 1.00 0.00 H new ATOM 1220 N SER A 98 21.013 -13.912 3.343 1.00 0.00 N ATOM 1221 CA SER A 98 21.380 -14.804 4.438 1.00 0.00 C ATOM 1222 C SER A 98 20.251 -14.905 5.463 1.00 0.00 C ATOM 1223 O SER A 98 20.323 -15.685 6.411 1.00 0.00 O ATOM 1224 CB SER A 98 22.655 -14.301 5.107 1.00 0.00 C ATOM 1225 OG SER A 98 23.436 -13.552 4.194 1.00 0.00 O ATOM 0 H SER A 98 21.394 -12.969 3.421 1.00 0.00 H new ATOM 0 HA SER A 98 21.556 -15.799 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.401 -13.683 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.233 -15.146 5.481 1.00 0.00 H new ATOM 0 HG SER A 98 24.249 -13.236 4.641 1.00 0.00 H new ATOM 1231 N GLY A 99 19.209 -14.114 5.258 1.00 0.00 N ATOM 1232 CA GLY A 99 18.087 -14.102 6.167 1.00 0.00 C ATOM 1233 C GLY A 99 18.284 -13.125 7.303 1.00 0.00 C ATOM 1234 O GLY A 99 17.659 -13.247 8.346 1.00 0.00 O ATOM 0 H GLY A 99 19.123 -13.474 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.181 -13.842 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 99 17.939 -15.103 6.572 1.00 0.00 H new ATOM 1238 N VAL A 100 19.143 -12.146 7.094 1.00 0.00 N ATOM 1239 CA VAL A 100 19.464 -11.176 8.126 1.00 0.00 C ATOM 1240 C VAL A 100 18.690 -9.885 7.887 1.00 0.00 C ATOM 1241 O VAL A 100 18.930 -9.196 6.897 1.00 0.00 O ATOM 1242 CB VAL A 100 20.985 -10.889 8.151 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.316 -9.691 9.030 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.751 -12.122 8.611 1.00 0.00 C ATOM 0 H VAL A 100 19.635 -12.000 6.212 1.00 0.00 H new ATOM 0 HA VAL A 100 19.176 -11.590 9.092 1.00 0.00 H new ATOM 0 HB VAL A 100 21.293 -10.644 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.393 -9.521 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.806 -8.807 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.987 -9.886 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.819 -11.903 8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.426 -12.399 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.557 -12.947 7.926 1.00 0.00 H new ATOM 1254 N LEU A 101 17.734 -9.590 8.775 1.00 0.00 N ATOM 1255 CA LEU A 101 16.905 -8.386 8.657 1.00 0.00 C ATOM 1256 C LEU A 101 17.779 -7.142 8.566 1.00 0.00 C ATOM 1257 O LEU A 101 18.301 -6.658 9.570 1.00 0.00 O ATOM 1258 CB LEU A 101 15.959 -8.248 9.855 1.00 0.00 C ATOM 1259 CG LEU A 101 15.218 -9.517 10.287 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.175 -9.185 11.337 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.563 -10.201 9.100 1.00 0.00 C ATOM 0 H LEU A 101 17.515 -10.170 9.585 1.00 0.00 H new ATOM 0 HA LEU A 101 16.313 -8.483 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.535 -7.883 10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.219 -7.483 9.620 1.00 0.00 H new ATOM 0 HG LEU A 101 15.949 -10.204 10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.656 -10.096 11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.662 -8.744 12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.457 -8.476 10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 101 14.045 -11.098 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.847 -9.521 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.326 -10.475 8.371 1.00 0.00 H new ATOM 1273 N THR A 102 17.931 -6.631 7.359 1.00 0.00 N ATOM 1274 CA THR A 102 18.751 -5.464 7.124 1.00 0.00 C ATOM 1275 C THR A 102 17.983 -4.211 7.511 1.00 0.00 C ATOM 1276 O THR A 102 18.564 -3.192 7.892 1.00 0.00 O ATOM 1277 CB THR A 102 19.167 -5.386 5.645 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.310 -6.234 4.861 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.614 -5.822 5.465 1.00 0.00 C ATOM 0 H THR A 102 17.492 -7.012 6.521 1.00 0.00 H new ATOM 0 HA THR A 102 19.651 -5.540 7.734 1.00 0.00 H new ATOM 0 HB THR A 102 19.073 -4.352 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.573 -6.183 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.885 -5.758 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.265 -5.170 6.047 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.729 -6.850 5.808 1.00 0.00 H new ATOM 1287 N ASN A 103 16.665 -4.306 7.416 1.00 0.00 N ATOM 1288 CA ASN A 103 15.785 -3.218 7.799 1.00 0.00 C ATOM 1289 C ASN A 103 14.370 -3.741 8.009 1.00 0.00 C ATOM 1290 O ASN A 103 13.883 -4.562 7.233 1.00 0.00 O ATOM 1291 CB ASN A 103 15.805 -2.116 6.722 1.00 0.00 C ATOM 1292 CG ASN A 103 14.421 -1.662 6.285 1.00 0.00 C ATOM 1293 OD1 ASN A 103 13.885 -2.141 5.283 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.839 -0.726 7.018 1.00 0.00 N ATOM 0 H ASN A 103 16.180 -5.135 7.073 1.00 0.00 H new ATOM 0 HA ASN A 103 16.137 -2.788 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.355 -1.257 7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.349 -2.481 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.916 -0.377 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.314 -0.354 7.840 1.00 0.00 H new ATOM 1301 N ILE A 104 13.729 -3.297 9.075 1.00 0.00 N ATOM 1302 CA ILE A 104 12.317 -3.565 9.269 1.00 0.00 C ATOM 1303 C ILE A 104 11.543 -2.288 9.023 1.00 0.00 C ATOM 1304 O ILE A 104 11.934 -1.222 9.490 1.00 0.00 O ATOM 1305 CB ILE A 104 11.987 -4.069 10.691 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.435 -5.521 10.871 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.489 -3.933 10.956 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.686 -5.901 12.317 1.00 0.00 C ATOM 0 H ILE A 104 14.164 -2.750 9.818 1.00 0.00 H new ATOM 0 HA ILE A 104 12.038 -4.352 8.569 1.00 0.00 H new ATOM 0 HB ILE A 104 12.530 -3.458 11.412 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.674 -6.182 10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.347 -5.686 10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.263 -4.290 11.961 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.198 -2.886 10.869 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.935 -4.525 10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.000 -6.943 12.370 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.469 -5.265 12.730 1.00 0.00 H new ATOM 0 HD13 ILE A 104 11.770 -5.769 12.892 1.00 0.00 H new ATOM 1320 N ASP A 105 10.470 -2.392 8.278 1.00 0.00 N ATOM 1321 CA ASP A 105 9.576 -1.277 8.093 1.00 0.00 C ATOM 1322 C ASP A 105 8.283 -1.547 8.837 1.00 0.00 C ATOM 1323 O ASP A 105 7.432 -2.309 8.373 1.00 0.00 O ATOM 1324 CB ASP A 105 9.300 -1.081 6.614 1.00 0.00 C ATOM 1325 CG ASP A 105 9.379 0.372 6.182 1.00 0.00 C ATOM 1326 OD1 ASP A 105 9.338 1.261 7.057 1.00 0.00 O ATOM 1327 OD2 ASP A 105 9.495 0.629 4.966 1.00 0.00 O ATOM 0 H ASP A 105 10.194 -3.243 7.788 1.00 0.00 H new ATOM 0 HA ASP A 105 10.033 -0.369 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.016 -1.665 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.309 -1.470 6.381 1.00 0.00 H new ATOM 1332 N ASN A 106 8.145 -0.938 10.000 1.00 0.00 N ATOM 1333 CA ASN A 106 6.956 -1.121 10.813 1.00 0.00 C ATOM 1334 C ASN A 106 6.462 0.220 11.314 1.00 0.00 C ATOM 1335 O ASN A 106 7.053 0.814 12.218 1.00 0.00 O ATOM 1336 CB ASN A 106 7.236 -2.049 11.998 1.00 0.00 C ATOM 1337 CG ASN A 106 5.974 -2.390 12.777 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.190 -3.242 12.367 1.00 0.00 O ATOM 1339 ND2 ASN A 106 5.768 -1.722 13.905 1.00 0.00 N ATOM 0 H ASN A 106 8.842 -0.312 10.404 1.00 0.00 H new ATOM 0 HA ASN A 106 6.187 -1.582 10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.696 -2.968 11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.955 -1.575 12.666 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.935 -1.909 14.464 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.442 -1.021 14.213 1.00 0.00 H new ATOM 1346 N LYS A 107 5.396 0.703 10.710 1.00 0.00 N ATOM 1347 CA LYS A 107 4.823 1.981 11.082 1.00 0.00 C ATOM 1348 C LYS A 107 3.337 1.814 11.344 1.00 0.00 C ATOM 1349 O LYS A 107 2.682 0.996 10.698 1.00 0.00 O ATOM 1350 CB LYS A 107 5.045 3.008 9.967 1.00 0.00 C ATOM 1351 CG LYS A 107 6.303 3.843 10.146 1.00 0.00 C ATOM 1352 CD LYS A 107 7.380 3.449 9.146 1.00 0.00 C ATOM 1353 CE LYS A 107 8.524 2.713 9.821 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.795 2.850 9.067 1.00 0.00 N ATOM 0 H LYS A 107 4.905 0.226 9.954 1.00 0.00 H new ATOM 0 HA LYS A 107 5.312 2.340 11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.098 2.487 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.182 3.672 9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.061 4.899 10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.683 3.718 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.945 2.816 8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.762 4.342 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.658 3.100 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.270 1.657 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.553 2.347 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.681 2.442 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.043 3.857 8.984 1.00 0.00 H new ATOM 1368 N PRO A 108 2.791 2.564 12.313 1.00 0.00 N ATOM 1369 CA PRO A 108 1.353 2.573 12.580 1.00 0.00 C ATOM 1370 C PRO A 108 0.569 3.028 11.351 1.00 0.00 C ATOM 1371 O PRO A 108 1.127 3.648 10.447 1.00 0.00 O ATOM 1372 CB PRO A 108 1.199 3.587 13.721 1.00 0.00 C ATOM 1373 CG PRO A 108 2.550 3.684 14.339 1.00 0.00 C ATOM 1374 CD PRO A 108 3.530 3.449 13.226 1.00 0.00 C ATOM 0 HA PRO A 108 0.970 1.584 12.833 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.867 4.555 13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.457 3.254 14.446 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.702 4.663 14.793 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.672 2.944 15.130 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.818 4.381 12.739 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.446 2.982 13.587 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.724 2.738 11.332 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.577 3.067 10.193 1.00 0.00 C ATOM 1384 C ALA A 109 -1.588 4.570 9.895 1.00 0.00 C ATOM 1385 O ALA A 109 -1.903 4.984 8.781 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.987 2.562 10.443 1.00 0.00 C ATOM 0 H ALA A 109 -1.211 2.272 12.098 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.165 2.571 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.619 2.810 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.968 1.481 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.388 3.032 11.341 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.237 5.377 10.889 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.193 6.826 10.720 1.00 0.00 C ATOM 1394 C LEU A 110 0.155 7.276 10.164 1.00 0.00 C ATOM 1395 O LEU A 110 0.322 8.435 9.794 1.00 0.00 O ATOM 1396 CB LEU A 110 -1.472 7.519 12.051 1.00 0.00 C ATOM 1397 CG LEU A 110 -2.709 8.415 12.051 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -3.751 7.890 13.021 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -2.326 9.838 12.399 1.00 0.00 C ATOM 0 H LEU A 110 -0.978 5.053 11.821 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.964 7.107 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.589 6.760 12.824 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.604 8.120 12.323 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.142 8.407 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.624 8.543 13.006 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.046 6.882 12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.333 7.867 14.027 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.217 10.466 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.870 9.860 13.389 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.615 10.214 11.664 1.00 0.00 H new ATOM 1411 N SER A 111 1.109 6.344 10.111 1.00 0.00 N ATOM 1412 CA SER A 111 2.463 6.602 9.605 1.00 0.00 C ATOM 1413 C SER A 111 3.260 7.537 10.527 1.00 0.00 C ATOM 1414 O SER A 111 4.340 7.176 11.000 1.00 0.00 O ATOM 1415 CB SER A 111 2.410 7.163 8.180 1.00 0.00 C ATOM 1416 OG SER A 111 1.447 6.470 7.399 1.00 0.00 O ATOM 0 H SER A 111 0.965 5.382 10.419 1.00 0.00 H new ATOM 0 HA SER A 111 2.987 5.646 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.163 8.224 8.211 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.392 7.078 7.714 1.00 0.00 H new ATOM 0 HG SER A 111 1.429 6.845 6.494 1.00 0.00 H new ATOM 1422 N GLY A 112 2.731 8.725 10.784 1.00 0.00 N ATOM 1423 CA GLY A 112 3.410 9.689 11.627 1.00 0.00 C ATOM 1424 C GLY A 112 2.500 10.836 12.003 1.00 0.00 C ATOM 1425 O GLY A 112 1.353 10.618 12.388 1.00 0.00 O ATOM 0 H GLY A 112 1.833 9.041 10.419 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.767 9.195 12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.287 10.075 11.107 1.00 0.00 H new ATOM 1429 N ASN A 113 2.993 12.058 11.873 1.00 0.00 N ATOM 1430 CA ASN A 113 2.193 13.236 12.196 1.00 0.00 C ATOM 1431 C ASN A 113 1.371 13.671 10.989 1.00 0.00 C ATOM 1432 O ASN A 113 1.504 14.794 10.504 1.00 0.00 O ATOM 1433 CB ASN A 113 3.084 14.389 12.655 1.00 0.00 C ATOM 1434 CG ASN A 113 2.771 14.837 14.069 1.00 0.00 C ATOM 1435 OD1 ASN A 113 3.494 14.505 15.006 1.00 0.00 O ATOM 1436 ND2 ASN A 113 1.694 15.591 14.237 1.00 0.00 N ATOM 0 H ASN A 113 3.938 12.263 11.548 1.00 0.00 H new ATOM 0 HA ASN A 113 1.518 12.970 13.009 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.128 14.082 12.597 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.961 15.232 11.975 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.440 15.917 15.170 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.119 15.845 13.434 1.00 0.00 H new ATOM 1443 N LEU A 114 0.535 12.768 10.502 1.00 0.00 N ATOM 1444 CA LEU A 114 -0.317 13.045 9.353 1.00 0.00 C ATOM 1445 C LEU A 114 -1.437 12.020 9.279 1.00 0.00 C ATOM 1446 O LEU A 114 -1.226 10.839 9.553 1.00 0.00 O ATOM 1447 CB LEU A 114 0.508 13.041 8.056 1.00 0.00 C ATOM 1448 CG LEU A 114 0.715 11.671 7.398 1.00 0.00 C ATOM 1449 CD1 LEU A 114 0.831 11.822 5.888 1.00 0.00 C ATOM 1450 CD2 LEU A 114 1.952 10.985 7.959 1.00 0.00 C ATOM 0 H LEU A 114 0.427 11.830 10.887 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.756 14.035 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.020 13.698 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.486 13.472 8.269 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.152 11.049 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.978 10.842 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.082 12.270 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.681 12.462 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.080 10.015 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.829 11.603 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.834 10.845 9.034 1.00 0.00 H new ATOM 1462 N GLU A 115 -2.628 12.471 8.926 1.00 0.00 N ATOM 1463 CA GLU A 115 -3.768 11.578 8.815 1.00 0.00 C ATOM 1464 C GLU A 115 -4.044 11.252 7.356 1.00 0.00 C ATOM 1465 O GLU A 115 -4.345 12.153 6.565 1.00 0.00 O ATOM 1466 CB GLU A 115 -5.008 12.210 9.447 1.00 0.00 C ATOM 1467 CG GLU A 115 -5.023 12.134 10.963 1.00 0.00 C ATOM 1468 CD GLU A 115 -5.013 13.498 11.623 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -4.555 14.473 10.989 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -5.455 13.603 12.788 1.00 0.00 O ATOM 0 H GLU A 115 -2.831 13.447 8.712 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.533 10.656 9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -5.068 13.255 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -5.897 11.714 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.909 11.587 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -4.157 11.566 11.302 1.00 0.00 H new ATOM 1477 N HIS A 116 -3.925 9.970 7.009 1.00 0.00 N ATOM 1478 CA HIS A 116 -4.173 9.494 5.646 1.00 0.00 C ATOM 1479 C HIS A 116 -3.126 10.047 4.679 1.00 0.00 C ATOM 1480 O HIS A 116 -2.213 10.771 5.079 1.00 0.00 O ATOM 1481 CB HIS A 116 -5.585 9.889 5.183 1.00 0.00 C ATOM 1482 CG HIS A 116 -6.323 8.805 4.459 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -6.700 8.907 3.138 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -6.765 7.596 4.880 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -7.343 7.812 2.780 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -7.396 6.999 3.818 1.00 0.00 N ATOM 0 H HIS A 116 -3.655 9.234 7.662 1.00 0.00 H new ATOM 0 HA HIS A 116 -4.099 8.407 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -6.168 10.191 6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -5.511 10.759 4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.643 7.179 5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.756 7.614 1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.834 6.078 3.829 1.00 0.00 H new ATOM 1495 N HIS A 117 -3.240 9.675 3.411 1.00 0.00 N ATOM 1496 CA HIS A 117 -2.388 10.237 2.372 1.00 0.00 C ATOM 1497 C HIS A 117 -2.697 11.719 2.195 1.00 0.00 C ATOM 1498 O HIS A 117 -3.594 12.082 1.437 1.00 0.00 O ATOM 1499 CB HIS A 117 -2.609 9.499 1.049 1.00 0.00 C ATOM 1500 CG HIS A 117 -1.403 8.777 0.538 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -1.349 7.405 0.398 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -0.203 9.242 0.117 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -0.171 7.062 -0.086 1.00 0.00 C ATOM 1504 NE2 HIS A 117 0.543 8.156 -0.268 1.00 0.00 N ATOM 0 H HIS A 117 -3.914 8.986 3.077 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.346 10.120 2.670 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -3.420 8.782 1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -2.934 10.217 0.296 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.109 10.276 0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 117 0.154 6.054 -0.298 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.494 8.190 -0.635 1.00 0.00 H new ATOM 1513 N HIS A 118 -1.968 12.565 2.918 1.00 0.00 N ATOM 1514 CA HIS A 118 -2.175 14.008 2.862 1.00 0.00 C ATOM 1515 C HIS A 118 -1.963 14.520 1.446 1.00 0.00 C ATOM 1516 O HIS A 118 -2.662 15.424 0.988 1.00 0.00 O ATOM 1517 CB HIS A 118 -1.231 14.720 3.832 1.00 0.00 C ATOM 1518 CG HIS A 118 -1.899 15.786 4.648 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -1.636 17.129 4.495 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -2.826 15.699 5.633 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -2.368 17.821 5.347 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -3.100 16.979 6.050 1.00 0.00 N ATOM 0 H HIS A 118 -1.225 12.273 3.553 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.202 14.222 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -0.790 13.983 4.503 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.412 15.166 3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.267 14.792 6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.368 18.896 5.451 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -3.761 17.236 6.783 1.00 0.00 H new ATOM 1531 N HIS A 119 -0.995 13.937 0.757 1.00 0.00 N ATOM 1532 CA HIS A 119 -0.823 14.196 -0.662 1.00 0.00 C ATOM 1533 C HIS A 119 -1.345 13.014 -1.459 1.00 0.00 C ATOM 1534 O HIS A 119 -0.799 11.915 -1.386 1.00 0.00 O ATOM 1535 CB HIS A 119 0.639 14.460 -1.019 1.00 0.00 C ATOM 1536 CG HIS A 119 0.800 15.326 -2.236 1.00 0.00 C ATOM 1537 ND1 HIS A 119 0.584 14.872 -3.523 1.00 0.00 N ATOM 1538 CD2 HIS A 119 1.144 16.630 -2.356 1.00 0.00 C ATOM 1539 CE1 HIS A 119 0.788 15.860 -4.376 1.00 0.00 C ATOM 1540 NE2 HIS A 119 1.127 16.937 -3.695 1.00 0.00 N ATOM 0 H HIS A 119 -0.320 13.285 1.156 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.389 15.093 -0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 119 1.133 14.937 -0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 119 1.143 13.509 -1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.387 17.304 -1.548 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.693 15.796 -5.450 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.342 17.850 -4.097 1.00 0.00 H new ATOM 1549 N HIS A 120 -2.407 13.246 -2.208 1.00 0.00 N ATOM 1550 CA HIS A 120 -3.037 12.191 -2.984 1.00 0.00 C ATOM 1551 C HIS A 120 -2.123 11.730 -4.116 1.00 0.00 C ATOM 1552 O HIS A 120 -1.585 12.546 -4.867 1.00 0.00 O ATOM 1553 CB HIS A 120 -4.386 12.670 -3.541 1.00 0.00 C ATOM 1554 CG HIS A 120 -4.955 11.790 -4.616 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -5.298 10.471 -4.408 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -5.223 12.043 -5.918 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -5.747 9.952 -5.534 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -5.714 10.885 -6.466 1.00 0.00 N ATOM 0 H HIS A 120 -2.854 14.159 -2.296 1.00 0.00 H new ATOM 0 HA HIS A 120 -3.215 11.341 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -5.103 12.734 -2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -4.265 13.678 -3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.077 12.982 -6.431 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.085 8.935 -5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -6.006 10.765 -7.436 1.00 0.00 H new ATOM 1567 N HIS A 121 -1.934 10.421 -4.198 1.00 0.00 N ATOM 1568 CA HIS A 121 -1.213 9.796 -5.293 1.00 0.00 C ATOM 1569 C HIS A 121 -1.358 8.291 -5.175 1.00 0.00 C ATOM 1570 O HIS A 121 -1.776 7.830 -4.092 1.00 0.00 O ATOM 1571 CB HIS A 121 0.271 10.183 -5.291 1.00 0.00 C ATOM 1572 CG HIS A 121 0.899 10.108 -6.648 1.00 0.00 C ATOM 1573 ND1 HIS A 121 0.606 9.113 -7.551 1.00 0.00 N ATOM 1574 CD2 HIS A 121 1.801 10.911 -7.257 1.00 0.00 C ATOM 1575 CE1 HIS A 121 1.297 9.303 -8.655 1.00 0.00 C ATOM 1576 NE2 HIS A 121 2.030 10.390 -8.507 1.00 0.00 N ATOM 1577 OXT HIS A 121 -1.077 7.578 -6.159 1.00 0.00 O ATOM 0 H HIS A 121 -2.279 9.760 -3.502 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.637 10.146 -6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 121 0.375 11.197 -4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.811 9.525 -4.610 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -0.047 8.346 -7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.256 11.796 -6.839 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.269 8.675 -9.533 1.00 0.00 H new TER 1586 HIS A 121