USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 978 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 MET CE :methyl -161:sc= -0.0848 (180deg=-0.544) USER MOD Set 1.2: A 43 MET CE :methyl -128:sc= 0 (180deg=-0.0994) USER MOD Single : A 1 MET CE :methyl 137:sc= 0 (180deg=-0.408) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.152 X(o=0.15,f=-0.11) USER MOD Single : A 5 SER OG : rot 156:sc= 0.0264 USER MOD Single : A 8 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.14) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 1.56 (180deg=-0.466) USER MOD Single : A 12 SER OG : rot 82:sc= 0.12 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0942 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 36 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-8.9!) USER MOD Single : A 38 MET CE :methyl 160:sc= -0.59 (180deg=-1.59) USER MOD Single : A 53 SER OG : rot -82:sc= 0.854 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -24:sc= 0.419 USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= 1.1 (180deg=0.239) USER MOD Single : A 59 SER OG : rot -41:sc= 0.773 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 65 TYR OH : rot 102:sc= 1.54 USER MOD Single : A 71 GLN : amide:sc= -1.65! C(o=-1.7!,f=-5.4!) USER MOD Single : A 72 THR OG1 : rot 82:sc= 2.08 USER MOD Single : A 73 SER OG : rot 81:sc= 0.12 USER MOD Single : A 74 GLN : amide:sc= -0.656 K(o=-0.66,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-0.023) USER MOD Single : A 88 SER OG : rot 111:sc= 0.706 USER MOD Single : A 91 LYS NZ :NH3+ 129:sc= 1.26 (180deg=0.463) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.11) USER MOD Single : A 104 THR OG1 : rot 142:sc= 0.199 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 90:sc= -0.455 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.245 K(o=-0.25,f=-2.7!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc=-0.00561 X(o=-0.0056,f=-0.0056) USER MOD Single : A 128 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 130 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=-0.063) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 132 HIS : no HD1:sc= -0.663 K(o=-0.66,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.768 -0.957 15.515 1.00 42.32 N ATOM 2 CA MET A 1 -2.151 -0.747 14.173 1.00 71.42 C ATOM 3 C MET A 1 -0.747 -0.130 14.293 1.00 53.42 C ATOM 4 O MET A 1 -0.610 1.060 14.587 1.00 11.34 O ATOM 5 CB MET A 1 -3.055 0.166 13.330 1.00 33.44 C ATOM 6 CG MET A 1 -2.581 0.387 11.900 1.00 72.31 C ATOM 7 SD MET A 1 -3.669 1.504 10.993 1.00 34.33 S ATOM 8 CE MET A 1 -2.935 1.455 9.361 1.00 33.43 C ATOM 0 H1 MET A 1 -3.714 -1.374 15.401 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.172 -1.599 16.075 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.849 -0.044 16.006 1.00 42.32 H new ATOM 0 HA MET A 1 -2.050 -1.717 13.686 1.00 71.42 H new ATOM 0 HB2 MET A 1 -4.057 -0.262 13.304 1.00 33.44 H new ATOM 0 HB3 MET A 1 -3.134 1.134 13.826 1.00 33.44 H new ATOM 0 HG2 MET A 1 -1.570 0.795 11.912 1.00 72.31 H new ATOM 0 HG3 MET A 1 -2.532 -0.571 11.382 1.00 72.31 H new ATOM 0 HE1 MET A 1 -3.722 1.383 8.610 1.00 33.43 H new ATOM 0 HE2 MET A 1 -2.356 2.364 9.195 1.00 33.43 H new ATOM 0 HE3 MET A 1 -2.279 0.588 9.283 1.00 33.43 H new ATOM 20 N GLU A 2 0.294 -0.936 14.068 1.00 2.52 N ATOM 21 CA GLU A 2 1.682 -0.449 14.132 1.00 32.10 C ATOM 22 C GLU A 2 2.020 0.464 12.943 1.00 2.11 C ATOM 23 O GLU A 2 1.403 0.371 11.879 1.00 2.52 O ATOM 24 CB GLU A 2 2.684 -1.621 14.168 1.00 54.12 C ATOM 25 CG GLU A 2 2.755 -2.361 15.501 1.00 12.42 C ATOM 26 CD GLU A 2 1.478 -3.104 15.845 1.00 50.03 C ATOM 27 OE1 GLU A 2 1.244 -4.186 15.272 1.00 75.22 O ATOM 28 OE2 GLU A 2 0.701 -2.606 16.688 1.00 71.41 O ATOM 0 H GLU A 2 0.207 -1.926 13.840 1.00 2.52 H new ATOM 0 HA GLU A 2 1.767 0.127 15.053 1.00 32.10 H new ATOM 0 HB2 GLU A 2 2.417 -2.333 13.387 1.00 54.12 H new ATOM 0 HB3 GLU A 2 3.676 -1.240 13.927 1.00 54.12 H new ATOM 0 HG2 GLU A 2 3.582 -3.070 15.471 1.00 12.42 H new ATOM 0 HG3 GLU A 2 2.976 -1.646 16.294 1.00 12.42 H new ATOM 35 N PRO A 3 3.018 1.357 13.106 1.00 23.14 N ATOM 36 CA PRO A 3 3.502 2.216 12.009 1.00 51.43 C ATOM 37 C PRO A 3 4.026 1.397 10.823 1.00 73.24 C ATOM 38 O PRO A 3 3.912 1.807 9.669 1.00 34.50 O ATOM 39 CB PRO A 3 4.651 3.012 12.651 1.00 72.11 C ATOM 40 CG PRO A 3 4.390 2.949 14.118 1.00 22.43 C ATOM 41 CD PRO A 3 3.746 1.613 14.365 1.00 25.03 C ATOM 0 HA PRO A 3 2.707 2.842 11.604 1.00 51.43 H new ATOM 0 HB2 PRO A 3 5.619 2.577 12.403 1.00 72.11 H new ATOM 0 HB3 PRO A 3 4.664 4.043 12.296 1.00 72.11 H new ATOM 0 HG2 PRO A 3 5.316 3.047 14.684 1.00 22.43 H new ATOM 0 HG3 PRO A 3 3.736 3.762 14.434 1.00 22.43 H new ATOM 0 HD2 PRO A 3 4.487 0.839 14.567 1.00 25.03 H new ATOM 0 HD3 PRO A 3 3.073 1.642 15.222 1.00 25.03 H new ATOM 49 N GLN A 4 4.603 0.236 11.130 1.00 61.41 N ATOM 50 CA GLN A 4 5.178 -0.649 10.116 1.00 10.13 C ATOM 51 C GLN A 4 4.522 -2.035 10.158 1.00 53.42 C ATOM 52 O GLN A 4 4.723 -2.805 11.103 1.00 63.34 O ATOM 53 CB GLN A 4 6.690 -0.777 10.343 1.00 53.14 C ATOM 54 CG GLN A 4 7.393 0.570 10.446 1.00 34.34 C ATOM 55 CD GLN A 4 8.886 0.447 10.671 1.00 4.24 C ATOM 56 OE1 GLN A 4 9.357 0.405 11.803 1.00 12.13 O ATOM 57 NE2 GLN A 4 9.641 0.383 9.599 1.00 43.32 N ATOM 0 H GLN A 4 4.685 -0.117 12.083 1.00 61.41 H new ATOM 0 HA GLN A 4 4.991 -0.216 9.133 1.00 10.13 H new ATOM 0 HB2 GLN A 4 6.868 -1.344 11.257 1.00 53.14 H new ATOM 0 HB3 GLN A 4 7.128 -1.347 9.524 1.00 53.14 H new ATOM 0 HG2 GLN A 4 7.215 1.136 9.532 1.00 34.34 H new ATOM 0 HG3 GLN A 4 6.954 1.140 11.265 1.00 34.34 H new ATOM 0 HE21 GLN A 4 9.216 0.421 8.673 1.00 43.32 H new ATOM 0 HE22 GLN A 4 10.653 0.295 9.692 1.00 43.32 H new ATOM 66 N SER A 5 3.732 -2.345 9.137 1.00 65.34 N ATOM 67 CA SER A 5 3.031 -3.634 9.057 1.00 23.21 C ATOM 68 C SER A 5 3.843 -4.665 8.270 1.00 51.14 C ATOM 69 O SER A 5 4.421 -4.353 7.230 1.00 64.15 O ATOM 70 CB SER A 5 1.660 -3.464 8.394 1.00 25.14 C ATOM 71 OG SER A 5 0.977 -4.708 8.289 1.00 64.40 O ATOM 0 H SER A 5 3.556 -1.723 8.348 1.00 65.34 H new ATOM 0 HA SER A 5 2.902 -3.994 10.078 1.00 23.21 H new ATOM 0 HB2 SER A 5 1.058 -2.764 8.974 1.00 25.14 H new ATOM 0 HB3 SER A 5 1.785 -3.031 7.402 1.00 25.14 H new ATOM 0 HG SER A 5 0.012 -4.548 8.235 1.00 64.40 H new ATOM 77 N ASP A 6 3.875 -5.896 8.767 1.00 33.33 N ATOM 78 CA ASP A 6 4.557 -6.991 8.073 1.00 60.51 C ATOM 79 C ASP A 6 3.706 -7.511 6.895 1.00 13.42 C ATOM 80 O ASP A 6 2.476 -7.395 6.905 1.00 1.24 O ATOM 81 CB ASP A 6 4.850 -8.124 9.063 1.00 44.40 C ATOM 82 CG ASP A 6 5.574 -9.284 8.413 1.00 30.43 C ATOM 83 OD1 ASP A 6 4.903 -10.153 7.817 1.00 74.11 O ATOM 84 OD2 ASP A 6 6.817 -9.323 8.473 1.00 35.22 O ATOM 0 H ASP A 6 3.437 -6.165 9.648 1.00 33.33 H new ATOM 0 HA ASP A 6 5.497 -6.617 7.667 1.00 60.51 H new ATOM 0 HB2 ASP A 6 5.452 -7.738 9.885 1.00 44.40 H new ATOM 0 HB3 ASP A 6 3.913 -8.479 9.493 1.00 44.40 H new ATOM 89 N ALA A 7 4.363 -8.101 5.895 1.00 50.40 N ATOM 90 CA ALA A 7 3.683 -8.563 4.680 1.00 21.44 C ATOM 91 C ALA A 7 2.630 -9.654 4.960 1.00 72.12 C ATOM 92 O ALA A 7 1.474 -9.528 4.548 1.00 54.02 O ATOM 93 CB ALA A 7 4.709 -9.059 3.668 1.00 2.24 C ATOM 0 H ALA A 7 5.369 -8.271 5.901 1.00 50.40 H new ATOM 0 HA ALA A 7 3.144 -7.710 4.269 1.00 21.44 H new ATOM 0 HB1 ALA A 7 4.197 -9.401 2.768 1.00 2.24 H new ATOM 0 HB2 ALA A 7 5.390 -8.247 3.412 1.00 2.24 H new ATOM 0 HB3 ALA A 7 5.275 -9.885 4.099 1.00 2.24 H new ATOM 99 N HIS A 8 3.011 -10.724 5.671 1.00 33.42 N ATOM 100 CA HIS A 8 2.067 -11.824 5.937 1.00 73.33 C ATOM 101 C HIS A 8 1.018 -11.444 6.987 1.00 60.30 C ATOM 102 O HIS A 8 -0.068 -12.019 7.016 1.00 71.55 O ATOM 103 CB HIS A 8 2.761 -13.160 6.274 1.00 25.11 C ATOM 104 CG HIS A 8 3.916 -13.078 7.219 1.00 60.24 C ATOM 105 ND1 HIS A 8 5.217 -13.259 6.812 1.00 43.10 N ATOM 106 CD2 HIS A 8 3.969 -12.892 8.559 1.00 60.42 C ATOM 107 CE1 HIS A 8 6.014 -13.197 7.849 1.00 21.31 C ATOM 108 NE2 HIS A 8 5.290 -12.972 8.924 1.00 74.03 N ATOM 0 H HIS A 8 3.943 -10.853 6.065 1.00 33.42 H new ATOM 0 HA HIS A 8 1.540 -11.991 4.998 1.00 73.33 H new ATOM 0 HB2 HIS A 8 2.018 -13.836 6.697 1.00 25.11 H new ATOM 0 HB3 HIS A 8 3.109 -13.611 5.344 1.00 25.11 H new ATOM 0 HD2 HIS A 8 3.131 -12.714 9.216 1.00 60.42 H new ATOM 0 HE1 HIS A 8 7.088 -13.312 7.826 1.00 21.31 H new ATOM 0 HE2 HIS A 8 5.651 -12.873 9.873 1.00 74.03 H new ATOM 117 N VAL A 9 1.340 -10.489 7.857 1.00 65.25 N ATOM 118 CA VAL A 9 0.333 -9.930 8.767 1.00 52.12 C ATOM 119 C VAL A 9 -0.863 -9.382 7.973 1.00 63.41 C ATOM 120 O VAL A 9 -2.014 -9.728 8.244 1.00 22.41 O ATOM 121 CB VAL A 9 0.919 -8.811 9.664 1.00 42.14 C ATOM 122 CG1 VAL A 9 -0.185 -8.099 10.453 1.00 64.31 C ATOM 123 CG2 VAL A 9 1.966 -9.389 10.610 1.00 23.14 C ATOM 0 H VAL A 9 2.273 -10.089 7.954 1.00 65.25 H new ATOM 0 HA VAL A 9 0.001 -10.741 9.415 1.00 52.12 H new ATOM 0 HB VAL A 9 1.397 -8.073 9.019 1.00 42.14 H new ATOM 0 HG11 VAL A 9 0.256 -7.319 11.073 1.00 64.31 H new ATOM 0 HG12 VAL A 9 -0.897 -7.652 9.760 1.00 64.31 H new ATOM 0 HG13 VAL A 9 -0.701 -8.819 11.088 1.00 64.31 H new ATOM 0 HG21 VAL A 9 2.371 -8.593 11.235 1.00 23.14 H new ATOM 0 HG22 VAL A 9 1.506 -10.148 11.242 1.00 23.14 H new ATOM 0 HG23 VAL A 9 2.771 -9.839 10.030 1.00 23.14 H new ATOM 133 N LEU A 10 -0.578 -8.546 6.973 1.00 31.41 N ATOM 134 CA LEU A 10 -1.626 -7.996 6.103 1.00 64.43 C ATOM 135 C LEU A 10 -2.283 -9.096 5.245 1.00 53.45 C ATOM 136 O LEU A 10 -3.507 -9.155 5.123 1.00 54.13 O ATOM 137 CB LEU A 10 -1.042 -6.896 5.199 1.00 32.35 C ATOM 138 CG LEU A 10 -2.068 -6.118 4.357 1.00 35.12 C ATOM 139 CD1 LEU A 10 -3.055 -5.378 5.259 1.00 40.53 C ATOM 140 CD2 LEU A 10 -1.365 -5.143 3.413 1.00 21.24 C ATOM 0 H LEU A 10 0.366 -8.234 6.744 1.00 31.41 H new ATOM 0 HA LEU A 10 -2.397 -7.565 6.741 1.00 64.43 H new ATOM 0 HB2 LEU A 10 -0.498 -6.187 5.823 1.00 32.35 H new ATOM 0 HB3 LEU A 10 -0.315 -7.351 4.526 1.00 32.35 H new ATOM 0 HG LEU A 10 -2.626 -6.834 3.753 1.00 35.12 H new ATOM 0 HD11 LEU A 10 -3.772 -4.834 4.644 1.00 40.53 H new ATOM 0 HD12 LEU A 10 -3.585 -6.096 5.885 1.00 40.53 H new ATOM 0 HD13 LEU A 10 -2.513 -4.675 5.892 1.00 40.53 H new ATOM 0 HD21 LEU A 10 -2.109 -4.603 2.827 1.00 21.24 H new ATOM 0 HD22 LEU A 10 -0.777 -4.433 3.995 1.00 21.24 H new ATOM 0 HD23 LEU A 10 -0.707 -5.696 2.743 1.00 21.24 H new ATOM 152 N LYS A 11 -1.458 -9.971 4.661 1.00 54.31 N ATOM 153 CA LYS A 11 -1.945 -11.088 3.834 1.00 44.23 C ATOM 154 C LYS A 11 -2.935 -11.985 4.597 1.00 71.32 C ATOM 155 O LYS A 11 -4.024 -12.291 4.108 1.00 52.42 O ATOM 156 CB LYS A 11 -0.761 -11.936 3.343 1.00 45.15 C ATOM 157 CG LYS A 11 -1.176 -13.196 2.582 1.00 72.11 C ATOM 158 CD LYS A 11 0.004 -14.137 2.335 1.00 54.21 C ATOM 159 CE LYS A 11 -0.470 -15.525 1.915 1.00 31.30 C ATOM 160 NZ LYS A 11 0.641 -16.513 1.865 1.00 24.22 N ATOM 0 H LYS A 11 -0.442 -9.929 4.745 1.00 54.31 H new ATOM 0 HA LYS A 11 -2.472 -10.655 2.984 1.00 44.23 H new ATOM 0 HB2 LYS A 11 -0.131 -11.324 2.697 1.00 45.15 H new ATOM 0 HB3 LYS A 11 -0.153 -12.225 4.200 1.00 45.15 H new ATOM 0 HG2 LYS A 11 -1.946 -13.722 3.146 1.00 72.11 H new ATOM 0 HG3 LYS A 11 -1.618 -12.912 1.627 1.00 72.11 H new ATOM 0 HD2 LYS A 11 0.647 -13.721 1.560 1.00 54.21 H new ATOM 0 HD3 LYS A 11 0.605 -14.215 3.241 1.00 54.21 H new ATOM 0 HE2 LYS A 11 -1.231 -15.873 2.614 1.00 31.30 H new ATOM 0 HE3 LYS A 11 -0.942 -15.463 0.934 1.00 31.30 H new ATOM 0 HZ1 LYS A 11 0.618 -17.015 0.955 1.00 24.22 H new ATOM 0 HZ2 LYS A 11 1.550 -16.018 1.964 1.00 24.22 H new ATOM 0 HZ3 LYS A 11 0.532 -17.197 2.641 1.00 24.22 H new ATOM 174 N SER A 12 -2.559 -12.383 5.805 1.00 31.11 N ATOM 175 CA SER A 12 -3.368 -13.318 6.593 1.00 55.34 C ATOM 176 C SER A 12 -4.571 -12.602 7.175 1.00 72.53 C ATOM 177 O SER A 12 -5.626 -13.187 7.373 1.00 31.22 O ATOM 178 CB SER A 12 -2.549 -13.968 7.710 1.00 72.42 C ATOM 179 OG SER A 12 -1.474 -14.729 7.180 1.00 21.20 O ATOM 0 H SER A 12 -1.701 -12.077 6.264 1.00 31.11 H new ATOM 0 HA SER A 12 -3.708 -14.111 5.926 1.00 55.34 H new ATOM 0 HB2 SER A 12 -2.160 -13.197 8.375 1.00 72.42 H new ATOM 0 HB3 SER A 12 -3.193 -14.611 8.310 1.00 72.42 H new ATOM 0 HG SER A 12 -0.724 -14.134 6.969 1.00 21.20 H new ATOM 185 N ARG A 13 -4.401 -11.324 7.455 1.00 62.54 N ATOM 186 CA ARG A 13 -5.512 -10.475 7.846 1.00 23.40 C ATOM 187 C ARG A 13 -6.529 -10.343 6.692 1.00 24.34 C ATOM 188 O ARG A 13 -7.734 -10.271 6.923 1.00 14.30 O ATOM 189 CB ARG A 13 -4.976 -9.107 8.285 1.00 2.42 C ATOM 190 CG ARG A 13 -6.013 -8.004 8.261 1.00 74.43 C ATOM 191 CD ARG A 13 -5.472 -6.693 8.826 1.00 34.25 C ATOM 192 NE ARG A 13 -4.971 -6.845 10.191 1.00 14.20 N ATOM 193 CZ ARG A 13 -4.708 -5.850 10.992 1.00 73.32 C ATOM 194 NH1 ARG A 13 -4.913 -4.626 10.617 1.00 73.00 N ATOM 195 NH2 ARG A 13 -4.247 -6.085 12.174 1.00 52.25 N ATOM 0 H ARG A 13 -3.500 -10.848 7.419 1.00 62.54 H new ATOM 0 HA ARG A 13 -6.037 -10.927 8.687 1.00 23.40 H new ATOM 0 HB2 ARG A 13 -4.574 -9.192 9.295 1.00 2.42 H new ATOM 0 HB3 ARG A 13 -4.147 -8.827 7.635 1.00 2.42 H new ATOM 0 HG2 ARG A 13 -6.349 -7.845 7.236 1.00 74.43 H new ATOM 0 HG3 ARG A 13 -6.885 -8.314 8.837 1.00 74.43 H new ATOM 0 HD2 ARG A 13 -4.670 -6.327 8.185 1.00 34.25 H new ATOM 0 HD3 ARG A 13 -6.260 -5.940 8.812 1.00 34.25 H new ATOM 0 HE ARG A 13 -4.817 -7.791 10.540 1.00 14.20 H new ATOM 0 HH11 ARG A 13 -5.284 -4.433 9.687 1.00 73.00 H new ATOM 0 HH12 ARG A 13 -4.703 -3.856 11.252 1.00 73.00 H new ATOM 0 HH21 ARG A 13 -4.090 -7.046 12.478 1.00 52.25 H new ATOM 0 HH22 ARG A 13 -4.040 -5.310 12.804 1.00 52.25 H new ATOM 209 N LEU A 14 -6.030 -10.328 5.455 1.00 73.03 N ATOM 210 CA LEU A 14 -6.882 -10.304 4.262 1.00 55.11 C ATOM 211 C LEU A 14 -7.705 -11.603 4.151 1.00 11.55 C ATOM 212 O LEU A 14 -8.935 -11.572 4.081 1.00 43.43 O ATOM 213 CB LEU A 14 -5.991 -10.119 3.013 1.00 30.41 C ATOM 214 CG LEU A 14 -6.671 -9.522 1.763 1.00 62.32 C ATOM 215 CD1 LEU A 14 -5.638 -9.213 0.681 1.00 13.50 C ATOM 216 CD2 LEU A 14 -7.755 -10.448 1.207 1.00 14.21 C ATOM 0 H LEU A 14 -5.031 -10.332 5.251 1.00 73.03 H new ATOM 0 HA LEU A 14 -7.583 -9.473 4.337 1.00 55.11 H new ATOM 0 HB2 LEU A 14 -5.153 -9.477 3.284 1.00 30.41 H new ATOM 0 HB3 LEU A 14 -5.575 -11.090 2.744 1.00 30.41 H new ATOM 0 HG LEU A 14 -7.151 -8.593 2.071 1.00 62.32 H new ATOM 0 HD11 LEU A 14 -6.139 -8.793 -0.191 1.00 13.50 H new ATOM 0 HD12 LEU A 14 -4.914 -8.494 1.064 1.00 13.50 H new ATOM 0 HD13 LEU A 14 -5.123 -10.131 0.397 1.00 13.50 H new ATOM 0 HD21 LEU A 14 -8.209 -9.990 0.328 1.00 14.21 H new ATOM 0 HD22 LEU A 14 -7.310 -11.404 0.930 1.00 14.21 H new ATOM 0 HD23 LEU A 14 -8.520 -10.610 1.967 1.00 14.21 H new ATOM 228 N GLU A 15 -7.017 -12.742 4.141 1.00 4.04 N ATOM 229 CA GLU A 15 -7.677 -14.045 3.966 1.00 71.13 C ATOM 230 C GLU A 15 -8.366 -14.517 5.259 1.00 13.03 C ATOM 231 O GLU A 15 -9.562 -14.813 5.278 1.00 64.02 O ATOM 232 CB GLU A 15 -6.640 -15.100 3.551 1.00 4.43 C ATOM 233 CG GLU A 15 -5.739 -14.684 2.394 1.00 23.12 C ATOM 234 CD GLU A 15 -4.648 -15.710 2.121 1.00 12.12 C ATOM 235 OE1 GLU A 15 -3.634 -15.718 2.852 1.00 14.32 O ATOM 236 OE2 GLU A 15 -4.815 -16.532 1.194 1.00 33.20 O ATOM 0 H GLU A 15 -6.004 -12.795 4.251 1.00 4.04 H new ATOM 0 HA GLU A 15 -8.436 -13.924 3.193 1.00 71.13 H new ATOM 0 HB2 GLU A 15 -6.016 -15.336 4.413 1.00 4.43 H new ATOM 0 HB3 GLU A 15 -7.163 -16.016 3.276 1.00 4.43 H new ATOM 0 HG2 GLU A 15 -6.342 -14.549 1.496 1.00 23.12 H new ATOM 0 HG3 GLU A 15 -5.282 -13.720 2.619 1.00 23.12 H new ATOM 243 N TRP A 16 -7.598 -14.560 6.341 1.00 64.31 N ATOM 244 CA TRP A 16 -8.030 -15.177 7.604 1.00 20.32 C ATOM 245 C TRP A 16 -8.628 -14.164 8.594 1.00 2.11 C ATOM 246 O TRP A 16 -9.584 -14.470 9.311 1.00 1.14 O ATOM 247 CB TRP A 16 -6.823 -15.862 8.267 1.00 22.23 C ATOM 248 CG TRP A 16 -6.112 -16.840 7.372 1.00 2.13 C ATOM 249 CD1 TRP A 16 -5.205 -16.543 6.396 1.00 4.24 C ATOM 250 CD2 TRP A 16 -6.234 -18.266 7.382 1.00 63.35 C ATOM 251 NE1 TRP A 16 -4.772 -17.692 5.787 1.00 3.20 N ATOM 252 CE2 TRP A 16 -5.384 -18.764 6.376 1.00 41.14 C ATOM 253 CE3 TRP A 16 -6.982 -19.171 8.140 1.00 71.10 C ATOM 254 CZ2 TRP A 16 -5.264 -20.125 6.109 1.00 31.31 C ATOM 255 CZ3 TRP A 16 -6.861 -20.522 7.875 1.00 31.30 C ATOM 256 CH2 TRP A 16 -6.008 -20.987 6.867 1.00 25.21 C ATOM 0 H TRP A 16 -6.656 -14.170 6.375 1.00 64.31 H new ATOM 0 HA TRP A 16 -8.812 -15.895 7.359 1.00 20.32 H new ATOM 0 HB2 TRP A 16 -6.115 -15.098 8.589 1.00 22.23 H new ATOM 0 HB3 TRP A 16 -7.160 -16.383 9.163 1.00 22.23 H new ATOM 0 HD1 TRP A 16 -4.876 -15.547 6.141 1.00 4.24 H new ATOM 0 HE1 TRP A 16 -4.102 -17.740 5.019 1.00 3.20 H new ATOM 0 HE3 TRP A 16 -7.643 -18.821 8.919 1.00 71.10 H new ATOM 0 HZ2 TRP A 16 -4.607 -20.487 5.332 1.00 31.31 H new ATOM 0 HZ3 TRP A 16 -7.434 -21.231 8.455 1.00 31.30 H new ATOM 0 HH2 TRP A 16 -5.936 -22.049 6.684 1.00 25.21 H new ATOM 267 N GLY A 17 -8.061 -12.962 8.634 1.00 43.21 N ATOM 268 CA GLY A 17 -8.408 -11.992 9.671 1.00 31.35 C ATOM 269 C GLY A 17 -9.620 -11.118 9.349 1.00 62.13 C ATOM 270 O GLY A 17 -10.755 -11.593 9.337 1.00 24.01 O ATOM 0 H GLY A 17 -7.363 -12.636 7.965 1.00 43.21 H new ATOM 0 HA2 GLY A 17 -8.600 -12.528 10.601 1.00 31.35 H new ATOM 0 HA3 GLY A 17 -7.548 -11.346 9.847 1.00 31.35 H new ATOM 274 N GLU A 18 -9.370 -9.838 9.092 1.00 31.02 N ATOM 275 CA GLU A 18 -10.430 -8.835 8.957 1.00 2.15 C ATOM 276 C GLU A 18 -10.153 -7.883 7.777 1.00 14.41 C ATOM 277 O GLU A 18 -9.088 -7.270 7.705 1.00 64.02 O ATOM 278 CB GLU A 18 -10.527 -8.044 10.268 1.00 31.03 C ATOM 279 CG GLU A 18 -11.514 -6.882 10.245 1.00 54.30 C ATOM 280 CD GLU A 18 -11.473 -6.078 11.535 1.00 75.41 C ATOM 281 OE1 GLU A 18 -10.570 -5.226 11.677 1.00 21.03 O ATOM 282 OE2 GLU A 18 -12.321 -6.313 12.421 1.00 4.33 O ATOM 0 H GLU A 18 -8.429 -9.463 8.971 1.00 31.02 H new ATOM 0 HA GLU A 18 -11.374 -9.340 8.753 1.00 2.15 H new ATOM 0 HB2 GLU A 18 -10.812 -8.728 11.068 1.00 31.03 H new ATOM 0 HB3 GLU A 18 -9.539 -7.657 10.516 1.00 31.03 H new ATOM 0 HG2 GLU A 18 -11.286 -6.229 9.403 1.00 54.30 H new ATOM 0 HG3 GLU A 18 -12.522 -7.265 10.088 1.00 54.30 H new ATOM 289 N PRO A 19 -11.118 -7.726 6.845 1.00 30.40 N ATOM 290 CA PRO A 19 -10.946 -6.889 5.640 1.00 14.22 C ATOM 291 C PRO A 19 -11.207 -5.385 5.877 1.00 21.35 C ATOM 292 O PRO A 19 -11.468 -4.638 4.934 1.00 32.31 O ATOM 293 CB PRO A 19 -11.994 -7.476 4.689 1.00 24.33 C ATOM 294 CG PRO A 19 -13.105 -7.912 5.588 1.00 1.23 C ATOM 295 CD PRO A 19 -12.455 -8.365 6.877 1.00 4.11 C ATOM 0 HA PRO A 19 -9.921 -6.914 5.271 1.00 14.22 H new ATOM 0 HB2 PRO A 19 -12.335 -6.735 3.966 1.00 24.33 H new ATOM 0 HB3 PRO A 19 -11.590 -8.314 4.120 1.00 24.33 H new ATOM 0 HG2 PRO A 19 -13.802 -7.094 5.770 1.00 1.23 H new ATOM 0 HG3 PRO A 19 -13.677 -8.722 5.135 1.00 1.23 H new ATOM 0 HD2 PRO A 19 -13.029 -8.047 7.747 1.00 4.11 H new ATOM 0 HD3 PRO A 19 -12.378 -9.451 6.925 1.00 4.11 H new ATOM 303 N ALA A 20 -11.105 -4.938 7.128 1.00 54.43 N ATOM 304 CA ALA A 20 -11.361 -3.530 7.473 1.00 51.42 C ATOM 305 C ALA A 20 -10.127 -2.640 7.230 1.00 62.14 C ATOM 306 O ALA A 20 -9.664 -1.935 8.131 1.00 65.24 O ATOM 307 CB ALA A 20 -11.812 -3.426 8.926 1.00 10.02 C ATOM 0 H ALA A 20 -10.848 -5.525 7.922 1.00 54.43 H new ATOM 0 HA ALA A 20 -12.154 -3.167 6.818 1.00 51.42 H new ATOM 0 HB1 ALA A 20 -12.000 -2.382 9.175 1.00 10.02 H new ATOM 0 HB2 ALA A 20 -12.727 -4.002 9.065 1.00 10.02 H new ATOM 0 HB3 ALA A 20 -11.032 -3.820 9.578 1.00 10.02 H new ATOM 313 N PHE A 21 -9.614 -2.658 6.001 1.00 72.50 N ATOM 314 CA PHE A 21 -8.409 -1.894 5.644 1.00 24.31 C ATOM 315 C PHE A 21 -8.369 -1.568 4.140 1.00 74.35 C ATOM 316 O PHE A 21 -9.052 -2.204 3.335 1.00 11.45 O ATOM 317 CB PHE A 21 -7.142 -2.674 6.042 1.00 21.32 C ATOM 318 CG PHE A 21 -6.987 -4.004 5.338 1.00 45.53 C ATOM 319 CD1 PHE A 21 -6.350 -4.086 4.107 1.00 64.10 C ATOM 320 CD2 PHE A 21 -7.477 -5.169 5.909 1.00 33.32 C ATOM 321 CE1 PHE A 21 -6.209 -5.300 3.464 1.00 74.31 C ATOM 322 CE2 PHE A 21 -7.336 -6.384 5.269 1.00 4.13 C ATOM 323 CZ PHE A 21 -6.702 -6.450 4.045 1.00 12.01 C ATOM 0 H PHE A 21 -10.012 -3.194 5.230 1.00 72.50 H new ATOM 0 HA PHE A 21 -8.443 -0.953 6.194 1.00 24.31 H new ATOM 0 HB2 PHE A 21 -6.268 -2.059 5.829 1.00 21.32 H new ATOM 0 HB3 PHE A 21 -7.157 -2.845 7.118 1.00 21.32 H new ATOM 0 HD1 PHE A 21 -5.960 -3.190 3.647 1.00 64.10 H new ATOM 0 HD2 PHE A 21 -7.975 -5.125 6.866 1.00 33.32 H new ATOM 0 HE1 PHE A 21 -5.713 -5.349 2.506 1.00 74.31 H new ATOM 0 HE2 PHE A 21 -7.722 -7.283 5.726 1.00 4.13 H new ATOM 0 HZ PHE A 21 -6.592 -7.400 3.543 1.00 12.01 H new ATOM 333 N THR A 22 -7.581 -0.561 3.767 1.00 43.45 N ATOM 334 CA THR A 22 -7.348 -0.253 2.345 1.00 45.24 C ATOM 335 C THR A 22 -5.867 -0.424 1.990 1.00 51.53 C ATOM 336 O THR A 22 -4.991 -0.191 2.822 1.00 75.51 O ATOM 337 CB THR A 22 -7.790 1.186 1.967 1.00 5.34 C ATOM 338 OG1 THR A 22 -7.730 1.365 0.544 1.00 0.41 O ATOM 339 CG2 THR A 22 -6.915 2.233 2.635 1.00 61.22 C ATOM 0 H THR A 22 -7.094 0.055 4.418 1.00 43.45 H new ATOM 0 HA THR A 22 -7.956 -0.957 1.776 1.00 45.24 H new ATOM 0 HB THR A 22 -8.814 1.315 2.317 1.00 5.34 H new ATOM 0 HG1 THR A 22 -8.012 2.275 0.317 1.00 0.41 H new ATOM 0 HG21 THR A 22 -7.254 3.228 2.347 1.00 61.22 H new ATOM 0 HG22 THR A 22 -6.982 2.126 3.718 1.00 61.22 H new ATOM 0 HG23 THR A 22 -5.880 2.097 2.320 1.00 61.22 H new ATOM 347 N ILE A 23 -5.590 -0.849 0.762 1.00 75.21 N ATOM 348 CA ILE A 23 -4.209 -1.032 0.296 1.00 63.41 C ATOM 349 C ILE A 23 -3.871 -0.033 -0.822 1.00 22.12 C ATOM 350 O ILE A 23 -4.535 -0.007 -1.854 1.00 22.52 O ATOM 351 CB ILE A 23 -3.978 -2.475 -0.222 1.00 62.42 C ATOM 352 CG1 ILE A 23 -4.276 -3.502 0.884 1.00 12.42 C ATOM 353 CG2 ILE A 23 -2.549 -2.638 -0.738 1.00 4.12 C ATOM 354 CD1 ILE A 23 -4.108 -4.945 0.447 1.00 64.45 C ATOM 0 H ILE A 23 -6.301 -1.075 0.066 1.00 75.21 H new ATOM 0 HA ILE A 23 -3.554 -0.853 1.149 1.00 63.41 H new ATOM 0 HB ILE A 23 -4.664 -2.656 -1.050 1.00 62.42 H new ATOM 0 HG12 ILE A 23 -3.617 -3.310 1.731 1.00 12.42 H new ATOM 0 HG13 ILE A 23 -5.297 -3.356 1.236 1.00 12.42 H new ATOM 0 HG21 ILE A 23 -2.406 -3.657 -1.097 1.00 4.12 H new ATOM 0 HG22 ILE A 23 -2.375 -1.938 -1.555 1.00 4.12 H new ATOM 0 HG23 ILE A 23 -1.845 -2.436 0.069 1.00 4.12 H new ATOM 0 HD11 ILE A 23 -4.336 -5.607 1.282 1.00 64.45 H new ATOM 0 HD12 ILE A 23 -4.787 -5.156 -0.379 1.00 64.45 H new ATOM 0 HD13 ILE A 23 -3.080 -5.110 0.124 1.00 64.45 H new ATOM 366 N LEU A 24 -2.838 0.786 -0.620 1.00 15.55 N ATOM 367 CA LEU A 24 -2.468 1.824 -1.598 1.00 3.33 C ATOM 368 C LEU A 24 -1.136 1.508 -2.301 1.00 33.10 C ATOM 369 O LEU A 24 -0.100 1.329 -1.654 1.00 41.24 O ATOM 370 CB LEU A 24 -2.388 3.195 -0.906 1.00 14.03 C ATOM 371 CG LEU A 24 -3.661 3.628 -0.158 1.00 54.21 C ATOM 372 CD1 LEU A 24 -3.527 5.049 0.369 1.00 51.24 C ATOM 373 CD2 LEU A 24 -4.889 3.502 -1.050 1.00 73.41 C ATOM 0 H LEU A 24 -2.241 0.756 0.207 1.00 15.55 H new ATOM 0 HA LEU A 24 -3.244 1.845 -2.363 1.00 3.33 H new ATOM 0 HB2 LEU A 24 -1.558 3.179 -0.199 1.00 14.03 H new ATOM 0 HB3 LEU A 24 -2.153 3.950 -1.657 1.00 14.03 H new ATOM 0 HG LEU A 24 -3.789 2.959 0.693 1.00 54.21 H new ATOM 0 HD11 LEU A 24 -4.440 5.330 0.893 1.00 51.24 H new ATOM 0 HD12 LEU A 24 -2.682 5.104 1.056 1.00 51.24 H new ATOM 0 HD13 LEU A 24 -3.362 5.732 -0.464 1.00 51.24 H new ATOM 0 HD21 LEU A 24 -5.774 3.814 -0.496 1.00 73.41 H new ATOM 0 HD22 LEU A 24 -4.768 4.136 -1.928 1.00 73.41 H new ATOM 0 HD23 LEU A 24 -5.005 2.465 -1.365 1.00 73.41 H new ATOM 385 N ASP A 25 -1.179 1.445 -3.633 1.00 2.44 N ATOM 386 CA ASP A 25 0.009 1.178 -4.452 1.00 21.31 C ATOM 387 C ASP A 25 0.733 2.491 -4.799 1.00 23.51 C ATOM 388 O ASP A 25 0.327 3.209 -5.715 1.00 74.52 O ATOM 389 CB ASP A 25 -0.414 0.459 -5.739 1.00 5.20 C ATOM 390 CG ASP A 25 0.740 -0.236 -6.441 1.00 43.12 C ATOM 391 OD1 ASP A 25 1.804 0.391 -6.644 1.00 51.40 O ATOM 392 OD2 ASP A 25 0.580 -1.418 -6.801 1.00 23.31 O ATOM 0 H ASP A 25 -2.033 1.577 -4.174 1.00 2.44 H new ATOM 0 HA ASP A 25 0.695 0.546 -3.887 1.00 21.31 H new ATOM 0 HB2 ASP A 25 -1.183 -0.276 -5.501 1.00 5.20 H new ATOM 0 HB3 ASP A 25 -0.864 1.181 -6.420 1.00 5.20 H new ATOM 397 N VAL A 26 1.812 2.796 -4.080 1.00 35.23 N ATOM 398 CA VAL A 26 2.500 4.084 -4.242 1.00 34.12 C ATOM 399 C VAL A 26 3.696 4.003 -5.205 1.00 51.32 C ATOM 400 O VAL A 26 4.491 4.938 -5.299 1.00 33.02 O ATOM 401 CB VAL A 26 2.953 4.654 -2.872 1.00 14.14 C ATOM 402 CG1 VAL A 26 1.736 4.940 -1.995 1.00 14.24 C ATOM 403 CG2 VAL A 26 3.923 3.699 -2.178 1.00 3.35 C ATOM 0 H VAL A 26 2.229 2.178 -3.384 1.00 35.23 H new ATOM 0 HA VAL A 26 1.773 4.764 -4.686 1.00 34.12 H new ATOM 0 HB VAL A 26 3.482 5.592 -3.041 1.00 14.14 H new ATOM 0 HG11 VAL A 26 2.065 5.340 -1.036 1.00 14.24 H new ATOM 0 HG12 VAL A 26 1.093 5.668 -2.490 1.00 14.24 H new ATOM 0 HG13 VAL A 26 1.180 4.017 -1.832 1.00 14.24 H new ATOM 0 HG21 VAL A 26 4.226 4.121 -1.220 1.00 3.35 H new ATOM 0 HG22 VAL A 26 3.433 2.739 -2.013 1.00 3.35 H new ATOM 0 HG23 VAL A 26 4.803 3.555 -2.805 1.00 3.35 H new ATOM 413 N ARG A 27 3.810 2.899 -5.942 1.00 62.44 N ATOM 414 CA ARG A 27 4.856 2.770 -6.965 1.00 53.41 C ATOM 415 C ARG A 27 4.550 3.674 -8.167 1.00 30.21 C ATOM 416 O ARG A 27 5.260 4.647 -8.426 1.00 5.43 O ATOM 417 CB ARG A 27 4.977 1.317 -7.439 1.00 35.12 C ATOM 418 CG ARG A 27 5.473 0.349 -6.374 1.00 2.42 C ATOM 419 CD ARG A 27 5.358 -1.093 -6.854 1.00 14.24 C ATOM 420 NE ARG A 27 3.990 -1.420 -7.208 1.00 21.15 N ATOM 421 CZ ARG A 27 3.662 -2.297 -8.106 1.00 71.20 C ATOM 422 NH1 ARG A 27 4.570 -2.997 -8.717 1.00 63.43 N ATOM 423 NH2 ARG A 27 2.425 -2.463 -8.397 1.00 60.34 N ATOM 0 H ARG A 27 3.200 2.087 -5.854 1.00 62.44 H new ATOM 0 HA ARG A 27 5.800 3.077 -6.516 1.00 53.41 H new ATOM 0 HB2 ARG A 27 4.003 0.981 -7.793 1.00 35.12 H new ATOM 0 HB3 ARG A 27 5.656 1.281 -8.291 1.00 35.12 H new ATOM 0 HG2 ARG A 27 6.511 0.573 -6.128 1.00 2.42 H new ATOM 0 HG3 ARG A 27 4.894 0.480 -5.460 1.00 2.42 H new ATOM 0 HD2 ARG A 27 6.006 -1.245 -7.717 1.00 14.24 H new ATOM 0 HD3 ARG A 27 5.706 -1.768 -6.072 1.00 14.24 H new ATOM 0 HE ARG A 27 3.240 -0.930 -6.721 1.00 21.15 H new ATOM 0 HH11 ARG A 27 5.556 -2.861 -8.493 1.00 63.43 H new ATOM 0 HH12 ARG A 27 4.297 -3.683 -9.421 1.00 63.43 H new ATOM 0 HH21 ARG A 27 1.711 -1.909 -7.924 1.00 60.34 H new ATOM 0 HH22 ARG A 27 2.154 -3.149 -9.101 1.00 60.34 H new ATOM 437 N ASP A 28 3.472 3.341 -8.875 1.00 25.23 N ATOM 438 CA ASP A 28 3.049 4.060 -10.080 1.00 4.45 C ATOM 439 C ASP A 28 1.799 3.400 -10.672 1.00 22.51 C ATOM 440 O ASP A 28 1.542 2.227 -10.422 1.00 62.33 O ATOM 441 CB ASP A 28 4.172 4.074 -11.124 1.00 0.43 C ATOM 442 CG ASP A 28 3.752 4.742 -12.417 1.00 12.30 C ATOM 443 OD1 ASP A 28 3.332 5.911 -12.380 1.00 70.31 O ATOM 444 OD2 ASP A 28 3.808 4.083 -13.470 1.00 20.31 O ATOM 0 H ASP A 28 2.863 2.561 -8.629 1.00 25.23 H new ATOM 0 HA ASP A 28 2.817 5.089 -9.804 1.00 4.45 H new ATOM 0 HB2 ASP A 28 5.038 4.594 -10.715 1.00 0.43 H new ATOM 0 HB3 ASP A 28 4.484 3.050 -11.332 1.00 0.43 H new ATOM 449 N ARG A 29 1.040 4.145 -11.467 1.00 34.43 N ATOM 450 CA ARG A 29 -0.161 3.602 -12.106 1.00 43.44 C ATOM 451 C ARG A 29 0.192 2.488 -13.117 1.00 43.41 C ATOM 452 O ARG A 29 -0.508 1.476 -13.215 1.00 20.32 O ATOM 453 CB ARG A 29 -0.949 4.728 -12.794 1.00 0.34 C ATOM 454 CG ARG A 29 -2.169 4.233 -13.562 1.00 14.23 C ATOM 455 CD ARG A 29 -3.218 3.600 -12.649 1.00 22.44 C ATOM 456 NE ARG A 29 -4.164 2.778 -13.399 1.00 74.33 N ATOM 457 CZ ARG A 29 -5.342 2.417 -12.968 1.00 55.23 C ATOM 458 NH1 ARG A 29 -5.810 2.866 -11.845 1.00 24.54 N ATOM 459 NH2 ARG A 29 -6.064 1.623 -13.687 1.00 55.32 N ATOM 0 H ARG A 29 1.230 5.123 -11.686 1.00 34.43 H new ATOM 0 HA ARG A 29 -0.785 3.157 -11.331 1.00 43.44 H new ATOM 0 HB2 ARG A 29 -1.270 5.448 -12.042 1.00 0.34 H new ATOM 0 HB3 ARG A 29 -0.288 5.257 -13.480 1.00 0.34 H new ATOM 0 HG2 ARG A 29 -2.618 5.067 -14.102 1.00 14.23 H new ATOM 0 HG3 ARG A 29 -1.853 3.503 -14.308 1.00 14.23 H new ATOM 0 HD2 ARG A 29 -2.722 2.988 -11.895 1.00 22.44 H new ATOM 0 HD3 ARG A 29 -3.758 4.384 -12.118 1.00 22.44 H new ATOM 0 HE ARG A 29 -3.884 2.463 -14.328 1.00 74.33 H new ATOM 0 HH11 ARG A 29 -5.255 3.512 -11.283 1.00 24.54 H new ATOM 0 HH12 ARG A 29 -6.733 2.573 -11.524 1.00 24.54 H new ATOM 0 HH21 ARG A 29 -5.712 1.284 -14.582 1.00 55.32 H new ATOM 0 HH22 ARG A 29 -6.986 1.335 -13.359 1.00 55.32 H new ATOM 473 N SER A 30 1.293 2.667 -13.844 1.00 33.41 N ATOM 474 CA SER A 30 1.747 1.680 -14.829 1.00 73.24 C ATOM 475 C SER A 30 2.401 0.494 -14.129 1.00 5.13 C ATOM 476 O SER A 30 2.064 -0.659 -14.388 1.00 31.42 O ATOM 477 CB SER A 30 2.734 2.317 -15.816 1.00 60.43 C ATOM 478 OG SER A 30 3.264 1.359 -16.721 1.00 30.04 O ATOM 0 H SER A 30 1.892 3.490 -13.771 1.00 33.41 H new ATOM 0 HA SER A 30 0.878 1.327 -15.384 1.00 73.24 H new ATOM 0 HB2 SER A 30 2.231 3.106 -16.375 1.00 60.43 H new ATOM 0 HB3 SER A 30 3.549 2.786 -15.264 1.00 60.43 H new ATOM 0 HG SER A 30 3.887 1.799 -17.336 1.00 30.04 H new ATOM 484 N THR A 31 3.334 0.791 -13.223 1.00 32.54 N ATOM 485 CA THR A 31 3.971 -0.244 -12.401 1.00 12.03 C ATOM 486 C THR A 31 2.914 -1.048 -11.626 1.00 60.54 C ATOM 487 O THR A 31 3.082 -2.244 -11.372 1.00 54.21 O ATOM 488 CB THR A 31 4.989 0.372 -11.408 1.00 24.32 C ATOM 489 OG1 THR A 31 5.917 1.208 -12.118 1.00 24.41 O ATOM 490 CG2 THR A 31 5.757 -0.710 -10.658 1.00 53.21 C ATOM 0 H THR A 31 3.666 1.738 -13.039 1.00 32.54 H new ATOM 0 HA THR A 31 4.507 -0.913 -13.075 1.00 12.03 H new ATOM 0 HB THR A 31 4.433 0.965 -10.682 1.00 24.32 H new ATOM 0 HG1 THR A 31 6.557 1.596 -11.486 1.00 24.41 H new ATOM 0 HG21 THR A 31 6.463 -0.245 -9.970 1.00 53.21 H new ATOM 0 HG22 THR A 31 5.058 -1.330 -10.097 1.00 53.21 H new ATOM 0 HG23 THR A 31 6.301 -1.330 -11.370 1.00 53.21 H new ATOM 498 N TYR A 32 1.819 -0.377 -11.260 1.00 31.21 N ATOM 499 CA TYR A 32 0.647 -1.048 -10.693 1.00 23.32 C ATOM 500 C TYR A 32 0.122 -2.112 -11.661 1.00 3.03 C ATOM 501 O TYR A 32 -0.071 -3.266 -11.284 1.00 4.23 O ATOM 502 CB TYR A 32 -0.461 -0.026 -10.380 1.00 71.43 C ATOM 503 CG TYR A 32 -1.813 -0.645 -10.038 1.00 31.23 C ATOM 504 CD1 TYR A 32 -2.100 -1.085 -8.748 1.00 44.00 C ATOM 505 CD2 TYR A 32 -2.803 -0.788 -11.011 1.00 32.54 C ATOM 506 CE1 TYR A 32 -3.325 -1.650 -8.441 1.00 4.52 C ATOM 507 CE2 TYR A 32 -4.030 -1.350 -10.708 1.00 32.44 C ATOM 508 CZ TYR A 32 -4.285 -1.781 -9.424 1.00 41.25 C ATOM 509 OH TYR A 32 -5.506 -2.352 -9.122 1.00 51.32 O ATOM 0 H TYR A 32 1.720 0.634 -11.347 1.00 31.21 H new ATOM 0 HA TYR A 32 0.946 -1.534 -9.764 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -0.139 0.596 -9.545 1.00 71.43 H new ATOM 0 HB3 TYR A 32 -0.584 0.633 -11.240 1.00 71.43 H new ATOM 0 HD1 TYR A 32 -1.353 -0.983 -7.974 1.00 44.00 H new ATOM 0 HD2 TYR A 32 -2.608 -0.454 -12.019 1.00 32.54 H new ATOM 0 HE1 TYR A 32 -3.529 -1.987 -7.436 1.00 4.52 H new ATOM 0 HE2 TYR A 32 -4.785 -1.451 -11.474 1.00 32.44 H new ATOM 0 HH TYR A 32 -6.067 -2.368 -9.925 1.00 51.32 H new ATOM 519 N ASN A 33 -0.102 -1.714 -12.912 1.00 41.45 N ATOM 520 CA ASN A 33 -0.592 -2.642 -13.936 1.00 4.21 C ATOM 521 C ASN A 33 0.369 -3.824 -14.146 1.00 3.41 C ATOM 522 O ASN A 33 -0.075 -4.960 -14.294 1.00 12.42 O ATOM 523 CB ASN A 33 -0.825 -1.921 -15.268 1.00 0.32 C ATOM 524 CG ASN A 33 -1.941 -0.891 -15.193 1.00 73.51 C ATOM 525 OD1 ASN A 33 -2.863 -1.006 -14.389 1.00 63.55 O ATOM 526 ND2 ASN A 33 -1.882 0.111 -16.046 1.00 1.53 N ATOM 0 H ASN A 33 0.046 -0.760 -13.242 1.00 41.45 H new ATOM 0 HA ASN A 33 -1.542 -3.036 -13.574 1.00 4.21 H new ATOM 0 HB2 ASN A 33 0.098 -1.429 -15.576 1.00 0.32 H new ATOM 0 HB3 ASN A 33 -1.066 -2.656 -16.036 1.00 0.32 H new ATOM 0 HD21 ASN A 33 -2.615 0.820 -16.052 1.00 1.53 H new ATOM 0 HD22 ASN A 33 -1.103 0.178 -16.701 1.00 1.53 H new ATOM 533 N ASP A 34 1.679 -3.557 -14.172 1.00 65.33 N ATOM 534 CA ASP A 34 2.681 -4.627 -14.338 1.00 70.52 C ATOM 535 C ASP A 34 2.517 -5.750 -13.294 1.00 54.42 C ATOM 536 O ASP A 34 2.481 -6.934 -13.645 1.00 55.32 O ATOM 537 CB ASP A 34 4.097 -4.047 -14.238 1.00 53.21 C ATOM 538 CG ASP A 34 4.514 -3.263 -15.470 1.00 24.31 C ATOM 539 OD1 ASP A 34 3.766 -2.365 -15.899 1.00 34.02 O ATOM 540 OD2 ASP A 34 5.612 -3.533 -16.004 1.00 55.02 O ATOM 0 H ASP A 34 2.072 -2.620 -14.082 1.00 65.33 H new ATOM 0 HA ASP A 34 2.522 -5.060 -15.325 1.00 70.52 H new ATOM 0 HB2 ASP A 34 4.155 -3.397 -13.365 1.00 53.21 H new ATOM 0 HB3 ASP A 34 4.805 -4.860 -14.077 1.00 53.21 H new ATOM 545 N GLY A 35 2.400 -5.378 -12.022 1.00 22.20 N ATOM 546 CA GLY A 35 2.160 -6.368 -10.974 1.00 21.21 C ATOM 547 C GLY A 35 1.806 -5.724 -9.647 1.00 21.01 C ATOM 548 O GLY A 35 2.436 -4.754 -9.258 1.00 71.30 O ATOM 0 H GLY A 35 2.466 -4.414 -11.694 1.00 22.20 H new ATOM 0 HA2 GLY A 35 1.351 -7.031 -11.281 1.00 21.21 H new ATOM 0 HA3 GLY A 35 3.049 -6.986 -10.850 1.00 21.21 H new ATOM 552 N HIS A 36 0.807 -6.258 -8.948 1.00 12.34 N ATOM 553 CA HIS A 36 0.288 -5.617 -7.730 1.00 35.24 C ATOM 554 C HIS A 36 -0.490 -6.603 -6.843 1.00 61.52 C ATOM 555 O HIS A 36 -0.658 -7.769 -7.188 1.00 61.50 O ATOM 556 CB HIS A 36 -0.618 -4.437 -8.105 1.00 2.42 C ATOM 557 CG HIS A 36 -1.805 -4.826 -8.937 1.00 72.33 C ATOM 558 ND1 HIS A 36 -1.755 -4.923 -10.308 1.00 31.44 N ATOM 559 CD2 HIS A 36 -3.080 -5.131 -8.592 1.00 72.03 C ATOM 560 CE1 HIS A 36 -2.935 -5.264 -10.774 1.00 14.20 C ATOM 561 NE2 HIS A 36 -3.759 -5.398 -9.756 1.00 14.52 N ATOM 0 H HIS A 36 0.339 -7.129 -9.198 1.00 12.34 H new ATOM 0 HA HIS A 36 1.146 -5.262 -7.159 1.00 35.24 H new ATOM 0 HB2 HIS A 36 -0.968 -3.955 -7.192 1.00 2.42 H new ATOM 0 HB3 HIS A 36 -0.030 -3.698 -8.650 1.00 2.42 H new ATOM 0 HD1 HIS A 36 -0.926 -4.755 -10.878 1.00 31.44 H new ATOM 0 HD2 HIS A 36 -3.485 -5.159 -7.591 1.00 72.03 H new ATOM 0 HE1 HIS A 36 -3.186 -5.410 -11.814 1.00 14.20 H new ATOM 570 N ILE A 37 -0.976 -6.113 -5.703 1.00 32.40 N ATOM 571 CA ILE A 37 -1.788 -6.925 -4.786 1.00 15.40 C ATOM 572 C ILE A 37 -3.240 -7.080 -5.288 1.00 75.23 C ATOM 573 O ILE A 37 -3.836 -6.132 -5.809 1.00 62.21 O ATOM 574 CB ILE A 37 -1.804 -6.308 -3.360 1.00 41.13 C ATOM 575 CG1 ILE A 37 -0.383 -6.286 -2.771 1.00 32.21 C ATOM 576 CG2 ILE A 37 -2.758 -7.073 -2.441 1.00 13.44 C ATOM 577 CD1 ILE A 37 -0.292 -5.671 -1.386 1.00 35.23 C ATOM 0 H ILE A 37 -0.823 -5.155 -5.388 1.00 32.40 H new ATOM 0 HA ILE A 37 -1.326 -7.911 -4.750 1.00 15.40 H new ATOM 0 HB ILE A 37 -2.165 -5.282 -3.437 1.00 41.13 H new ATOM 0 HG12 ILE A 37 -0.004 -7.307 -2.728 1.00 32.21 H new ATOM 0 HG13 ILE A 37 0.269 -5.732 -3.446 1.00 32.21 H new ATOM 0 HG21 ILE A 37 -2.750 -6.620 -1.450 1.00 13.44 H new ATOM 0 HG22 ILE A 37 -3.768 -7.033 -2.850 1.00 13.44 H new ATOM 0 HG23 ILE A 37 -2.438 -8.112 -2.368 1.00 13.44 H new ATOM 0 HD11 ILE A 37 0.743 -5.695 -1.045 1.00 35.23 H new ATOM 0 HD12 ILE A 37 -0.638 -4.638 -1.423 1.00 35.23 H new ATOM 0 HD13 ILE A 37 -0.915 -6.238 -0.694 1.00 35.23 H new ATOM 589 N MET A 38 -3.795 -8.285 -5.131 1.00 34.51 N ATOM 590 CA MET A 38 -5.191 -8.575 -5.498 1.00 64.34 C ATOM 591 C MET A 38 -6.188 -7.601 -4.835 1.00 21.20 C ATOM 592 O MET A 38 -6.327 -7.576 -3.610 1.00 74.22 O ATOM 593 CB MET A 38 -5.536 -10.014 -5.087 1.00 31.25 C ATOM 594 CG MET A 38 -6.956 -10.443 -5.445 1.00 0.04 C ATOM 595 SD MET A 38 -7.245 -10.476 -7.225 1.00 25.45 S ATOM 596 CE MET A 38 -5.980 -11.632 -7.747 1.00 55.30 C ATOM 0 H MET A 38 -3.295 -9.087 -4.748 1.00 34.51 H new ATOM 0 HA MET A 38 -5.279 -8.451 -6.577 1.00 64.34 H new ATOM 0 HB2 MET A 38 -4.831 -10.695 -5.564 1.00 31.25 H new ATOM 0 HB3 MET A 38 -5.398 -10.116 -4.011 1.00 31.25 H new ATOM 0 HG2 MET A 38 -7.147 -11.433 -5.032 1.00 0.04 H new ATOM 0 HG3 MET A 38 -7.666 -9.760 -4.978 1.00 0.04 H new ATOM 0 HE1 MET A 38 -6.236 -12.033 -8.728 1.00 55.30 H new ATOM 0 HE2 MET A 38 -5.020 -11.119 -7.803 1.00 55.30 H new ATOM 0 HE3 MET A 38 -5.914 -12.448 -7.028 1.00 55.30 H new ATOM 606 N GLY A 39 -6.885 -6.815 -5.654 1.00 40.21 N ATOM 607 CA GLY A 39 -7.892 -5.887 -5.139 1.00 64.22 C ATOM 608 C GLY A 39 -7.307 -4.717 -4.348 1.00 33.43 C ATOM 609 O GLY A 39 -7.796 -4.379 -3.264 1.00 44.13 O ATOM 0 H GLY A 39 -6.773 -6.801 -6.668 1.00 40.21 H new ATOM 0 HA2 GLY A 39 -8.472 -5.495 -5.974 1.00 64.22 H new ATOM 0 HA3 GLY A 39 -8.584 -6.435 -4.500 1.00 64.22 H new ATOM 613 N ALA A 40 -6.260 -4.091 -4.882 1.00 60.21 N ATOM 614 CA ALA A 40 -5.643 -2.921 -4.242 1.00 23.12 C ATOM 615 C ALA A 40 -6.084 -1.608 -4.909 1.00 1.00 C ATOM 616 O ALA A 40 -6.763 -1.614 -5.939 1.00 45.33 O ATOM 617 CB ALA A 40 -4.122 -3.041 -4.274 1.00 31.42 C ATOM 0 H ALA A 40 -5.818 -4.372 -5.757 1.00 60.21 H new ATOM 0 HA ALA A 40 -5.980 -2.897 -3.206 1.00 23.12 H new ATOM 0 HB1 ALA A 40 -3.678 -2.167 -3.797 1.00 31.42 H new ATOM 0 HB2 ALA A 40 -3.817 -3.941 -3.740 1.00 31.42 H new ATOM 0 HB3 ALA A 40 -3.783 -3.100 -5.308 1.00 31.42 H new ATOM 623 N MET A 41 -5.695 -0.487 -4.309 1.00 22.23 N ATOM 624 CA MET A 41 -5.985 0.846 -4.853 1.00 41.13 C ATOM 625 C MET A 41 -4.774 1.412 -5.598 1.00 74.30 C ATOM 626 O MET A 41 -3.629 1.215 -5.186 1.00 33.23 O ATOM 627 CB MET A 41 -6.373 1.804 -3.724 1.00 41.43 C ATOM 628 CG MET A 41 -7.614 1.374 -2.963 1.00 43.13 C ATOM 629 SD MET A 41 -9.116 1.490 -3.957 1.00 71.00 S ATOM 630 CE MET A 41 -9.260 3.265 -4.155 1.00 70.43 C ATOM 0 H MET A 41 -5.171 -0.471 -3.434 1.00 22.23 H new ATOM 0 HA MET A 41 -6.814 0.747 -5.553 1.00 41.13 H new ATOM 0 HB2 MET A 41 -5.540 1.887 -3.026 1.00 41.43 H new ATOM 0 HB3 MET A 41 -6.539 2.797 -4.142 1.00 41.43 H new ATOM 0 HG2 MET A 41 -7.488 0.347 -2.621 1.00 43.13 H new ATOM 0 HG3 MET A 41 -7.723 1.995 -2.074 1.00 43.13 H new ATOM 0 HE1 MET A 41 -10.281 3.518 -4.440 1.00 70.43 H new ATOM 0 HE2 MET A 41 -9.014 3.757 -3.214 1.00 70.43 H new ATOM 0 HE3 MET A 41 -8.573 3.601 -4.931 1.00 70.43 H new ATOM 640 N ALA A 42 -5.028 2.138 -6.675 1.00 1.41 N ATOM 641 CA ALA A 42 -3.946 2.697 -7.488 1.00 14.43 C ATOM 642 C ALA A 42 -3.693 4.177 -7.160 1.00 5.31 C ATOM 643 O ALA A 42 -4.084 5.073 -7.916 1.00 53.21 O ATOM 644 CB ALA A 42 -4.247 2.508 -8.972 1.00 32.41 C ATOM 0 H ALA A 42 -5.966 2.356 -7.010 1.00 1.41 H new ATOM 0 HA ALA A 42 -3.032 2.155 -7.246 1.00 14.43 H new ATOM 0 HB1 ALA A 42 -3.434 2.928 -9.564 1.00 32.41 H new ATOM 0 HB2 ALA A 42 -4.344 1.445 -9.191 1.00 32.41 H new ATOM 0 HB3 ALA A 42 -5.178 3.016 -9.222 1.00 32.41 H new ATOM 650 N MET A 43 -3.067 4.427 -6.010 1.00 22.13 N ATOM 651 CA MET A 43 -2.635 5.778 -5.631 1.00 44.21 C ATOM 652 C MET A 43 -1.119 5.933 -5.798 1.00 73.31 C ATOM 653 O MET A 43 -0.355 5.634 -4.879 1.00 54.04 O ATOM 654 CB MET A 43 -3.028 6.116 -4.184 1.00 54.23 C ATOM 655 CG MET A 43 -4.484 6.517 -4.010 1.00 25.50 C ATOM 656 SD MET A 43 -5.607 5.127 -3.815 1.00 64.24 S ATOM 657 CE MET A 43 -7.119 6.018 -3.446 1.00 71.23 C ATOM 0 H MET A 43 -2.846 3.710 -5.320 1.00 22.13 H new ATOM 0 HA MET A 43 -3.145 6.474 -6.298 1.00 44.21 H new ATOM 0 HB2 MET A 43 -2.823 5.251 -3.553 1.00 54.23 H new ATOM 0 HB3 MET A 43 -2.394 6.928 -3.828 1.00 54.23 H new ATOM 0 HG2 MET A 43 -4.570 7.165 -3.138 1.00 25.50 H new ATOM 0 HG3 MET A 43 -4.795 7.103 -4.875 1.00 25.50 H new ATOM 0 HE1 MET A 43 -7.562 5.620 -2.533 1.00 71.23 H new ATOM 0 HE2 MET A 43 -6.894 7.076 -3.309 1.00 71.23 H new ATOM 0 HE3 MET A 43 -7.821 5.901 -4.271 1.00 71.23 H new ATOM 667 N PRO A 44 -0.659 6.435 -6.960 1.00 31.43 N ATOM 668 CA PRO A 44 0.775 6.548 -7.241 1.00 75.13 C ATOM 669 C PRO A 44 1.408 7.681 -6.422 1.00 63.21 C ATOM 670 O PRO A 44 0.848 8.773 -6.334 1.00 55.25 O ATOM 671 CB PRO A 44 0.806 6.838 -8.752 1.00 54.41 C ATOM 672 CG PRO A 44 -0.472 7.560 -9.016 1.00 61.22 C ATOM 673 CD PRO A 44 -1.488 6.988 -8.052 1.00 43.42 C ATOM 0 HA PRO A 44 1.346 5.659 -6.973 1.00 75.13 H new ATOM 0 HB2 PRO A 44 1.669 7.446 -9.023 1.00 54.41 H new ATOM 0 HB3 PRO A 44 0.870 5.918 -9.332 1.00 54.41 H new ATOM 0 HG2 PRO A 44 -0.352 8.633 -8.863 1.00 61.22 H new ATOM 0 HG3 PRO A 44 -0.793 7.419 -10.048 1.00 61.22 H new ATOM 0 HD2 PRO A 44 -2.171 7.755 -7.688 1.00 43.42 H new ATOM 0 HD3 PRO A 44 -2.097 6.216 -8.523 1.00 43.42 H new ATOM 681 N ILE A 45 2.574 7.415 -5.829 1.00 32.41 N ATOM 682 CA ILE A 45 3.214 8.340 -4.871 1.00 44.12 C ATOM 683 C ILE A 45 3.246 9.804 -5.370 1.00 45.45 C ATOM 684 O ILE A 45 3.266 10.746 -4.573 1.00 54.42 O ATOM 685 CB ILE A 45 4.651 7.860 -4.534 1.00 50.12 C ATOM 686 CG1 ILE A 45 5.214 8.606 -3.312 1.00 24.33 C ATOM 687 CG2 ILE A 45 5.580 8.015 -5.742 1.00 64.23 C ATOM 688 CD1 ILE A 45 6.529 8.043 -2.808 1.00 51.51 C ATOM 0 H ILE A 45 3.104 6.559 -5.993 1.00 32.41 H new ATOM 0 HA ILE A 45 2.600 8.327 -3.970 1.00 44.12 H new ATOM 0 HB ILE A 45 4.596 6.801 -4.284 1.00 50.12 H new ATOM 0 HG12 ILE A 45 5.353 9.656 -3.570 1.00 24.33 H new ATOM 0 HG13 ILE A 45 4.481 8.571 -2.506 1.00 24.33 H new ATOM 0 HG21 ILE A 45 6.580 7.671 -5.478 1.00 64.23 H new ATOM 0 HG22 ILE A 45 5.199 7.420 -6.572 1.00 64.23 H new ATOM 0 HG23 ILE A 45 5.622 9.064 -6.036 1.00 64.23 H new ATOM 0 HD11 ILE A 45 6.865 8.619 -1.946 1.00 51.51 H new ATOM 0 HD12 ILE A 45 6.391 7.001 -2.517 1.00 51.51 H new ATOM 0 HD13 ILE A 45 7.277 8.103 -3.598 1.00 51.51 H new ATOM 700 N GLU A 46 3.223 9.981 -6.688 1.00 42.23 N ATOM 701 CA GLU A 46 3.229 11.310 -7.310 1.00 70.13 C ATOM 702 C GLU A 46 1.874 12.022 -7.140 1.00 43.42 C ATOM 703 O GLU A 46 1.818 13.214 -6.834 1.00 53.45 O ATOM 704 CB GLU A 46 3.566 11.179 -8.800 1.00 5.00 C ATOM 705 CG GLU A 46 4.745 10.253 -9.069 1.00 64.03 C ATOM 706 CD GLU A 46 5.195 10.271 -10.518 1.00 23.43 C ATOM 707 OE1 GLU A 46 5.801 11.278 -10.939 1.00 34.32 O ATOM 708 OE2 GLU A 46 4.971 9.272 -11.235 1.00 2.12 O ATOM 0 H GLU A 46 3.200 9.212 -7.357 1.00 42.23 H new ATOM 0 HA GLU A 46 3.987 11.914 -6.811 1.00 70.13 H new ATOM 0 HB2 GLU A 46 2.691 10.807 -9.332 1.00 5.00 H new ATOM 0 HB3 GLU A 46 3.788 12.167 -9.204 1.00 5.00 H new ATOM 0 HG2 GLU A 46 5.580 10.543 -8.431 1.00 64.03 H new ATOM 0 HG3 GLU A 46 4.471 9.235 -8.792 1.00 64.03 H new ATOM 715 N ASP A 47 0.789 11.278 -7.345 1.00 33.40 N ATOM 716 CA ASP A 47 -0.578 11.808 -7.209 1.00 45.34 C ATOM 717 C ASP A 47 -1.180 11.449 -5.834 1.00 25.25 C ATOM 718 O ASP A 47 -2.319 11.807 -5.534 1.00 54.12 O ATOM 719 CB ASP A 47 -1.473 11.215 -8.310 1.00 25.50 C ATOM 720 CG ASP A 47 -1.020 11.540 -9.727 1.00 30.23 C ATOM 721 OD1 ASP A 47 0.192 11.460 -10.012 1.00 34.33 O ATOM 722 OD2 ASP A 47 -1.893 11.830 -10.576 1.00 11.34 O ATOM 0 H ASP A 47 0.826 10.294 -7.609 1.00 33.40 H new ATOM 0 HA ASP A 47 -0.530 12.893 -7.301 1.00 45.34 H new ATOM 0 HB2 ASP A 47 -1.507 10.132 -8.191 1.00 25.50 H new ATOM 0 HB3 ASP A 47 -2.490 11.582 -8.173 1.00 25.50 H new ATOM 727 N LEU A 48 -0.393 10.749 -5.017 1.00 43.13 N ATOM 728 CA LEU A 48 -0.859 10.113 -3.767 1.00 15.40 C ATOM 729 C LEU A 48 -1.852 10.963 -2.946 1.00 41.03 C ATOM 730 O LEU A 48 -3.022 10.595 -2.817 1.00 32.10 O ATOM 731 CB LEU A 48 0.354 9.750 -2.899 1.00 34.10 C ATOM 732 CG LEU A 48 0.035 9.083 -1.553 1.00 10.32 C ATOM 733 CD1 LEU A 48 -0.683 7.752 -1.761 1.00 24.24 C ATOM 734 CD2 LEU A 48 1.311 8.891 -0.739 1.00 52.24 C ATOM 0 H LEU A 48 0.600 10.601 -5.199 1.00 43.13 H new ATOM 0 HA LEU A 48 -1.412 9.223 -4.068 1.00 15.40 H new ATOM 0 HB2 LEU A 48 0.999 9.083 -3.470 1.00 34.10 H new ATOM 0 HB3 LEU A 48 0.925 10.658 -2.707 1.00 34.10 H new ATOM 0 HG LEU A 48 -0.633 9.739 -0.995 1.00 10.32 H new ATOM 0 HD11 LEU A 48 -0.898 7.299 -0.793 1.00 24.24 H new ATOM 0 HD12 LEU A 48 -1.617 7.922 -2.297 1.00 24.24 H new ATOM 0 HD13 LEU A 48 -0.048 7.083 -2.341 1.00 24.24 H new ATOM 0 HD21 LEU A 48 1.068 8.417 0.212 1.00 52.24 H new ATOM 0 HD22 LEU A 48 2.004 8.258 -1.293 1.00 52.24 H new ATOM 0 HD23 LEU A 48 1.774 9.860 -0.554 1.00 52.24 H new ATOM 746 N VAL A 49 -1.386 12.083 -2.392 1.00 70.31 N ATOM 747 CA VAL A 49 -2.209 12.907 -1.488 1.00 31.11 C ATOM 748 C VAL A 49 -3.536 13.314 -2.145 1.00 10.11 C ATOM 749 O VAL A 49 -4.617 13.118 -1.584 1.00 22.43 O ATOM 750 CB VAL A 49 -1.444 14.181 -1.046 1.00 61.53 C ATOM 751 CG1 VAL A 49 -2.323 15.078 -0.172 1.00 1.13 C ATOM 752 CG2 VAL A 49 -0.151 13.810 -0.319 1.00 64.11 C ATOM 0 H VAL A 49 -0.445 12.445 -2.549 1.00 70.31 H new ATOM 0 HA VAL A 49 -2.426 12.295 -0.612 1.00 31.11 H new ATOM 0 HB VAL A 49 -1.182 14.744 -1.942 1.00 61.53 H new ATOM 0 HG11 VAL A 49 -1.760 15.963 0.123 1.00 1.13 H new ATOM 0 HG12 VAL A 49 -3.207 15.380 -0.734 1.00 1.13 H new ATOM 0 HG13 VAL A 49 -2.630 14.530 0.719 1.00 1.13 H new ATOM 0 HG21 VAL A 49 0.370 14.718 -0.017 1.00 64.11 H new ATOM 0 HG22 VAL A 49 -0.388 13.217 0.565 1.00 64.11 H new ATOM 0 HG23 VAL A 49 0.487 13.230 -0.985 1.00 64.11 H new ATOM 762 N ASP A 50 -3.435 13.868 -3.346 1.00 32.21 N ATOM 763 CA ASP A 50 -4.601 14.314 -4.117 1.00 24.32 C ATOM 764 C ASP A 50 -5.552 13.150 -4.470 1.00 64.34 C ATOM 765 O ASP A 50 -6.768 13.338 -4.567 1.00 21.43 O ATOM 766 CB ASP A 50 -4.123 15.028 -5.382 1.00 4.54 C ATOM 767 CG ASP A 50 -3.186 16.176 -5.050 1.00 62.54 C ATOM 768 OD1 ASP A 50 -1.990 15.919 -4.791 1.00 11.14 O ATOM 769 OD2 ASP A 50 -3.646 17.338 -5.011 1.00 21.10 O ATOM 0 H ASP A 50 -2.544 14.023 -3.818 1.00 32.21 H new ATOM 0 HA ASP A 50 -5.175 15.004 -3.498 1.00 24.32 H new ATOM 0 HB2 ASP A 50 -3.614 14.317 -6.032 1.00 4.54 H new ATOM 0 HB3 ASP A 50 -4.983 15.406 -5.935 1.00 4.54 H new ATOM 774 N ARG A 51 -4.992 11.955 -4.674 1.00 42.01 N ATOM 775 CA ARG A 51 -5.798 10.748 -4.937 1.00 72.05 C ATOM 776 C ARG A 51 -6.548 10.297 -3.676 1.00 44.43 C ATOM 777 O ARG A 51 -7.773 10.159 -3.675 1.00 12.43 O ATOM 778 CB ARG A 51 -4.902 9.590 -5.416 1.00 71.21 C ATOM 779 CG ARG A 51 -4.240 9.813 -6.768 1.00 63.44 C ATOM 780 CD ARG A 51 -5.237 9.757 -7.917 1.00 42.25 C ATOM 781 NE ARG A 51 -4.605 10.123 -9.186 1.00 14.31 N ATOM 782 CZ ARG A 51 -4.697 9.435 -10.293 1.00 34.50 C ATOM 783 NH1 ARG A 51 -5.422 8.364 -10.356 1.00 34.20 N ATOM 784 NH2 ARG A 51 -4.062 9.835 -11.346 1.00 45.20 N ATOM 0 H ARG A 51 -3.985 11.792 -4.663 1.00 42.01 H new ATOM 0 HA ARG A 51 -6.519 11.004 -5.714 1.00 72.05 H new ATOM 0 HB2 ARG A 51 -4.125 9.418 -4.671 1.00 71.21 H new ATOM 0 HB3 ARG A 51 -5.502 8.682 -5.466 1.00 71.21 H new ATOM 0 HG2 ARG A 51 -3.741 10.782 -6.770 1.00 63.44 H new ATOM 0 HG3 ARG A 51 -3.470 9.057 -6.922 1.00 63.44 H new ATOM 0 HD2 ARG A 51 -5.653 8.752 -7.992 1.00 42.25 H new ATOM 0 HD3 ARG A 51 -6.068 10.432 -7.714 1.00 42.25 H new ATOM 0 HE ARG A 51 -4.051 10.979 -9.207 1.00 14.31 H new ATOM 0 HH11 ARG A 51 -5.933 8.045 -9.533 1.00 34.20 H new ATOM 0 HH12 ARG A 51 -5.482 7.839 -11.229 1.00 34.20 H new ATOM 0 HH21 ARG A 51 -3.495 10.682 -11.308 1.00 45.20 H new ATOM 0 HH22 ARG A 51 -4.128 9.304 -12.214 1.00 45.20 H new ATOM 798 N ALA A 52 -5.795 10.080 -2.603 1.00 10.12 N ATOM 799 CA ALA A 52 -6.348 9.554 -1.356 1.00 11.54 C ATOM 800 C ALA A 52 -7.383 10.504 -0.739 1.00 62.24 C ATOM 801 O ALA A 52 -8.469 10.083 -0.352 1.00 53.55 O ATOM 802 CB ALA A 52 -5.220 9.272 -0.369 1.00 74.53 C ATOM 0 H ALA A 52 -4.792 10.261 -2.571 1.00 10.12 H new ATOM 0 HA ALA A 52 -6.867 8.624 -1.586 1.00 11.54 H new ATOM 0 HB1 ALA A 52 -5.638 8.880 0.559 1.00 74.53 H new ATOM 0 HB2 ALA A 52 -4.537 8.539 -0.797 1.00 74.53 H new ATOM 0 HB3 ALA A 52 -4.679 10.195 -0.162 1.00 74.53 H new ATOM 808 N SER A 53 -7.045 11.790 -0.662 1.00 22.24 N ATOM 809 CA SER A 53 -7.950 12.804 -0.087 1.00 23.34 C ATOM 810 C SER A 53 -9.309 12.837 -0.799 1.00 3.24 C ATOM 811 O SER A 53 -10.318 13.231 -0.218 1.00 34.14 O ATOM 812 CB SER A 53 -7.310 14.194 -0.171 1.00 25.42 C ATOM 813 OG SER A 53 -7.037 14.555 -1.517 1.00 22.04 O ATOM 0 H SER A 53 -6.153 12.162 -0.988 1.00 22.24 H new ATOM 0 HA SER A 53 -8.116 12.527 0.954 1.00 23.34 H new ATOM 0 HB2 SER A 53 -7.976 14.931 0.278 1.00 25.42 H new ATOM 0 HB3 SER A 53 -6.385 14.207 0.406 1.00 25.42 H new ATOM 0 HG SER A 53 -6.188 14.153 -1.798 1.00 22.04 H new ATOM 819 N SER A 54 -9.327 12.409 -2.057 1.00 13.44 N ATOM 820 CA SER A 54 -10.543 12.449 -2.883 1.00 4.34 C ATOM 821 C SER A 54 -11.456 11.224 -2.669 1.00 71.31 C ATOM 822 O SER A 54 -12.662 11.296 -2.911 1.00 45.12 O ATOM 823 CB SER A 54 -10.156 12.548 -4.367 1.00 63.01 C ATOM 824 OG SER A 54 -11.281 12.399 -5.223 1.00 11.35 O ATOM 0 H SER A 54 -8.511 12.027 -2.535 1.00 13.44 H new ATOM 0 HA SER A 54 -11.109 13.328 -2.575 1.00 4.34 H new ATOM 0 HB2 SER A 54 -9.683 13.512 -4.555 1.00 63.01 H new ATOM 0 HB3 SER A 54 -9.418 11.780 -4.601 1.00 63.01 H new ATOM 0 HG SER A 54 -10.993 12.470 -6.157 1.00 11.35 H new ATOM 830 N SER A 55 -10.890 10.107 -2.203 1.00 34.23 N ATOM 831 CA SER A 55 -11.648 8.838 -2.115 1.00 74.12 C ATOM 832 C SER A 55 -11.485 8.119 -0.761 1.00 10.52 C ATOM 833 O SER A 55 -12.137 7.103 -0.512 1.00 70.42 O ATOM 834 CB SER A 55 -11.210 7.894 -3.248 1.00 54.21 C ATOM 835 OG SER A 55 -11.950 6.681 -3.238 1.00 30.04 O ATOM 0 H SER A 55 -9.923 10.046 -1.883 1.00 34.23 H new ATOM 0 HA SER A 55 -12.702 9.098 -2.211 1.00 74.12 H new ATOM 0 HB2 SER A 55 -11.342 8.393 -4.208 1.00 54.21 H new ATOM 0 HB3 SER A 55 -10.147 7.673 -3.147 1.00 54.21 H new ATOM 0 HG SER A 55 -12.292 6.514 -2.335 1.00 30.04 H new ATOM 841 N LEU A 56 -10.639 8.646 0.122 1.00 33.02 N ATOM 842 CA LEU A 56 -10.341 7.974 1.395 1.00 4.03 C ATOM 843 C LEU A 56 -10.603 8.870 2.615 1.00 2.34 C ATOM 844 O LEU A 56 -10.796 10.080 2.499 1.00 15.04 O ATOM 845 CB LEU A 56 -8.880 7.499 1.414 1.00 1.24 C ATOM 846 CG LEU A 56 -8.536 6.377 0.420 1.00 43.33 C ATOM 847 CD1 LEU A 56 -7.054 6.024 0.496 1.00 12.12 C ATOM 848 CD2 LEU A 56 -9.394 5.143 0.682 1.00 54.24 C ATOM 0 H LEU A 56 -10.148 9.530 -0.015 1.00 33.02 H new ATOM 0 HA LEU A 56 -11.015 7.120 1.464 1.00 4.03 H new ATOM 0 HB2 LEU A 56 -8.236 8.354 1.208 1.00 1.24 H new ATOM 0 HB3 LEU A 56 -8.641 7.155 2.420 1.00 1.24 H new ATOM 0 HG LEU A 56 -8.751 6.737 -0.586 1.00 43.33 H new ATOM 0 HD11 LEU A 56 -6.833 5.228 -0.215 1.00 12.12 H new ATOM 0 HD12 LEU A 56 -6.458 6.904 0.254 1.00 12.12 H new ATOM 0 HD13 LEU A 56 -6.811 5.687 1.504 1.00 12.12 H new ATOM 0 HD21 LEU A 56 -9.135 4.361 -0.032 1.00 54.24 H new ATOM 0 HD22 LEU A 56 -9.214 4.783 1.695 1.00 54.24 H new ATOM 0 HD23 LEU A 56 -10.447 5.402 0.570 1.00 54.24 H new ATOM 860 N GLU A 57 -10.587 8.246 3.789 1.00 42.42 N ATOM 861 CA GLU A 57 -10.812 8.931 5.063 1.00 33.14 C ATOM 862 C GLU A 57 -9.510 9.022 5.871 1.00 34.30 C ATOM 863 O GLU A 57 -8.718 8.079 5.898 1.00 73.15 O ATOM 864 CB GLU A 57 -11.871 8.162 5.863 1.00 33.23 C ATOM 865 CG GLU A 57 -12.115 8.689 7.269 1.00 45.31 C ATOM 866 CD GLU A 57 -13.071 7.805 8.055 1.00 32.02 C ATOM 867 OE1 GLU A 57 -14.297 7.916 7.852 1.00 54.42 O ATOM 868 OE2 GLU A 57 -12.602 6.979 8.864 1.00 13.14 O ATOM 0 H GLU A 57 -10.417 7.245 3.887 1.00 42.42 H new ATOM 0 HA GLU A 57 -11.159 9.945 4.865 1.00 33.14 H new ATOM 0 HB2 GLU A 57 -12.811 8.187 5.312 1.00 33.23 H new ATOM 0 HB3 GLU A 57 -11.568 7.117 5.929 1.00 33.23 H new ATOM 0 HG2 GLU A 57 -11.165 8.757 7.800 1.00 45.31 H new ATOM 0 HG3 GLU A 57 -12.521 9.699 7.211 1.00 45.31 H new ATOM 875 N LYS A 58 -9.301 10.152 6.544 1.00 12.31 N ATOM 876 CA LYS A 58 -8.104 10.355 7.374 1.00 0.12 C ATOM 877 C LYS A 58 -8.021 9.302 8.502 1.00 33.52 C ATOM 878 O LYS A 58 -6.932 8.891 8.918 1.00 12.13 O ATOM 879 CB LYS A 58 -8.126 11.763 7.993 1.00 0.41 C ATOM 880 CG LYS A 58 -8.502 12.879 7.017 1.00 62.41 C ATOM 881 CD LYS A 58 -7.374 13.273 6.067 1.00 52.12 C ATOM 882 CE LYS A 58 -7.855 14.321 5.063 1.00 23.43 C ATOM 883 NZ LYS A 58 -6.747 14.912 4.268 1.00 61.55 N ATOM 0 H LYS A 58 -9.943 10.945 6.534 1.00 12.31 H new ATOM 0 HA LYS A 58 -7.229 10.247 6.733 1.00 0.12 H new ATOM 0 HB2 LYS A 58 -8.832 11.770 8.823 1.00 0.41 H new ATOM 0 HB3 LYS A 58 -7.142 11.978 8.410 1.00 0.41 H new ATOM 0 HG2 LYS A 58 -9.364 12.561 6.430 1.00 62.41 H new ATOM 0 HG3 LYS A 58 -8.810 13.757 7.585 1.00 62.41 H new ATOM 0 HD2 LYS A 58 -6.533 13.667 6.637 1.00 52.12 H new ATOM 0 HD3 LYS A 58 -7.014 12.392 5.536 1.00 52.12 H new ATOM 0 HE2 LYS A 58 -8.577 13.864 4.386 1.00 23.43 H new ATOM 0 HE3 LYS A 58 -8.377 15.116 5.597 1.00 23.43 H new ATOM 0 HZ1 LYS A 58 -6.989 15.889 4.008 1.00 61.55 H new ATOM 0 HZ2 LYS A 58 -5.875 14.911 4.834 1.00 61.55 H new ATOM 0 HZ3 LYS A 58 -6.601 14.350 3.405 1.00 61.55 H new ATOM 897 N SER A 59 -9.185 8.868 8.987 1.00 55.45 N ATOM 898 CA SER A 59 -9.260 7.914 10.110 1.00 55.53 C ATOM 899 C SER A 59 -9.305 6.454 9.628 1.00 40.32 C ATOM 900 O SER A 59 -9.260 5.527 10.436 1.00 24.20 O ATOM 901 CB SER A 59 -10.495 8.210 10.974 1.00 22.11 C ATOM 902 OG SER A 59 -10.468 9.537 11.479 1.00 42.31 O ATOM 0 H SER A 59 -10.093 9.158 8.624 1.00 55.45 H new ATOM 0 HA SER A 59 -8.354 8.041 10.703 1.00 55.53 H new ATOM 0 HB2 SER A 59 -11.399 8.063 10.382 1.00 22.11 H new ATOM 0 HB3 SER A 59 -10.538 7.504 11.803 1.00 22.11 H new ATOM 0 HG SER A 59 -9.557 9.761 11.761 1.00 42.31 H new ATOM 908 N ARG A 60 -9.382 6.258 8.313 1.00 14.13 N ATOM 909 CA ARG A 60 -9.425 4.913 7.722 1.00 64.31 C ATOM 910 C ARG A 60 -8.089 4.171 7.909 1.00 62.14 C ATOM 911 O ARG A 60 -7.024 4.734 7.668 1.00 54.23 O ATOM 912 CB ARG A 60 -9.772 5.021 6.222 1.00 53.54 C ATOM 913 CG ARG A 60 -9.596 3.726 5.428 1.00 51.04 C ATOM 914 CD ARG A 60 -10.503 2.609 5.929 1.00 2.41 C ATOM 915 NE ARG A 60 -11.920 2.888 5.702 1.00 41.35 N ATOM 916 CZ ARG A 60 -12.891 2.087 6.060 1.00 62.51 C ATOM 917 NH1 ARG A 60 -12.652 1.011 6.734 1.00 31.34 N ATOM 918 NH2 ARG A 60 -14.112 2.386 5.766 1.00 75.54 N ATOM 0 H ARG A 60 -9.416 7.015 7.630 1.00 14.13 H new ATOM 0 HA ARG A 60 -10.195 4.337 8.235 1.00 64.31 H new ATOM 0 HB2 ARG A 60 -10.806 5.352 6.126 1.00 53.54 H new ATOM 0 HB3 ARG A 60 -9.147 5.793 5.774 1.00 53.54 H new ATOM 0 HG2 ARG A 60 -9.807 3.917 4.376 1.00 51.04 H new ATOM 0 HG3 ARG A 60 -8.557 3.403 5.491 1.00 51.04 H new ATOM 0 HD2 ARG A 60 -10.236 1.678 5.429 1.00 2.41 H new ATOM 0 HD3 ARG A 60 -10.333 2.459 6.995 1.00 2.41 H new ATOM 0 HE ARG A 60 -12.167 3.761 5.236 1.00 41.35 H new ATOM 0 HH11 ARG A 60 -11.695 0.775 6.995 1.00 31.34 H new ATOM 0 HH12 ARG A 60 -13.421 0.398 7.005 1.00 31.34 H new ATOM 0 HH21 ARG A 60 -14.318 3.245 5.256 1.00 75.54 H new ATOM 0 HH22 ARG A 60 -14.871 1.763 6.044 1.00 75.54 H new ATOM 932 N ASP A 61 -8.152 2.912 8.351 1.00 1.43 N ATOM 933 CA ASP A 61 -6.954 2.072 8.473 1.00 4.30 C ATOM 934 C ASP A 61 -6.320 1.817 7.093 1.00 62.34 C ATOM 935 O ASP A 61 -6.763 0.953 6.330 1.00 64.05 O ATOM 936 CB ASP A 61 -7.302 0.747 9.157 1.00 31.31 C ATOM 937 CG ASP A 61 -7.914 0.951 10.533 1.00 74.13 C ATOM 938 OD1 ASP A 61 -9.137 1.216 10.610 1.00 13.02 O ATOM 939 OD2 ASP A 61 -7.183 0.845 11.544 1.00 71.25 O ATOM 0 H ASP A 61 -9.018 2.451 8.630 1.00 1.43 H new ATOM 0 HA ASP A 61 -6.226 2.601 9.087 1.00 4.30 H new ATOM 0 HB2 ASP A 61 -7.999 0.190 8.531 1.00 31.31 H new ATOM 0 HB3 ASP A 61 -6.401 0.141 9.249 1.00 31.31 H new ATOM 944 N ILE A 62 -5.296 2.601 6.771 1.00 34.41 N ATOM 945 CA ILE A 62 -4.650 2.553 5.456 1.00 4.33 C ATOM 946 C ILE A 62 -3.293 1.827 5.493 1.00 60.12 C ATOM 947 O ILE A 62 -2.451 2.094 6.353 1.00 3.31 O ATOM 948 CB ILE A 62 -4.443 3.987 4.908 1.00 51.35 C ATOM 949 CG1 ILE A 62 -5.800 4.703 4.778 1.00 42.13 C ATOM 950 CG2 ILE A 62 -3.705 3.957 3.569 1.00 5.54 C ATOM 951 CD1 ILE A 62 -5.709 6.128 4.278 1.00 15.41 C ATOM 0 H ILE A 62 -4.889 3.286 7.408 1.00 34.41 H new ATOM 0 HA ILE A 62 -5.314 1.990 4.800 1.00 4.33 H new ATOM 0 HB ILE A 62 -3.825 4.545 5.612 1.00 51.35 H new ATOM 0 HG12 ILE A 62 -6.435 4.133 4.100 1.00 42.13 H new ATOM 0 HG13 ILE A 62 -6.292 4.703 5.751 1.00 42.13 H new ATOM 0 HG21 ILE A 62 -3.571 4.975 3.204 1.00 5.54 H new ATOM 0 HG22 ILE A 62 -2.730 3.488 3.701 1.00 5.54 H new ATOM 0 HG23 ILE A 62 -4.287 3.386 2.846 1.00 5.54 H new ATOM 0 HD11 ILE A 62 -6.709 6.557 4.216 1.00 15.41 H new ATOM 0 HD12 ILE A 62 -5.104 6.717 4.967 1.00 15.41 H new ATOM 0 HD13 ILE A 62 -5.248 6.138 3.290 1.00 15.41 H new ATOM 963 N TYR A 63 -3.086 0.912 4.547 1.00 32.03 N ATOM 964 CA TYR A 63 -1.808 0.207 4.396 1.00 74.01 C ATOM 965 C TYR A 63 -1.167 0.527 3.037 1.00 21.11 C ATOM 966 O TYR A 63 -1.755 0.290 1.981 1.00 11.42 O ATOM 967 CB TYR A 63 -2.010 -1.305 4.558 1.00 11.10 C ATOM 968 CG TYR A 63 -2.345 -1.710 5.981 1.00 71.02 C ATOM 969 CD1 TYR A 63 -3.655 -1.683 6.447 1.00 75.41 C ATOM 970 CD2 TYR A 63 -1.345 -2.101 6.864 1.00 64.22 C ATOM 971 CE1 TYR A 63 -3.955 -2.038 7.749 1.00 43.01 C ATOM 972 CE2 TYR A 63 -1.639 -2.453 8.166 1.00 74.43 C ATOM 973 CZ TYR A 63 -2.942 -2.422 8.603 1.00 72.35 C ATOM 974 OH TYR A 63 -3.230 -2.768 9.903 1.00 2.21 O ATOM 0 H TYR A 63 -3.794 0.638 3.866 1.00 32.03 H new ATOM 0 HA TYR A 63 -1.131 0.550 5.178 1.00 74.01 H new ATOM 0 HB2 TYR A 63 -2.811 -1.632 3.895 1.00 11.10 H new ATOM 0 HB3 TYR A 63 -1.104 -1.823 4.243 1.00 11.10 H new ATOM 0 HD1 TYR A 63 -4.450 -1.380 5.782 1.00 75.41 H new ATOM 0 HD2 TYR A 63 -0.320 -2.130 6.525 1.00 64.22 H new ATOM 0 HE1 TYR A 63 -4.978 -2.015 8.096 1.00 43.01 H new ATOM 0 HE2 TYR A 63 -0.849 -2.752 8.839 1.00 74.43 H new ATOM 0 HH TYR A 63 -2.403 -3.014 10.367 1.00 2.21 H new ATOM 984 N VAL A 64 0.044 1.068 3.081 1.00 74.33 N ATOM 985 CA VAL A 64 0.751 1.531 1.883 1.00 40.32 C ATOM 986 C VAL A 64 1.941 0.624 1.541 1.00 74.45 C ATOM 987 O VAL A 64 2.678 0.202 2.431 1.00 45.42 O ATOM 988 CB VAL A 64 1.265 2.975 2.101 1.00 21.34 C ATOM 989 CG1 VAL A 64 2.160 3.427 0.952 1.00 13.12 C ATOM 990 CG2 VAL A 64 0.093 3.934 2.287 1.00 1.24 C ATOM 0 H VAL A 64 0.568 1.200 3.946 1.00 74.33 H new ATOM 0 HA VAL A 64 0.045 1.502 1.053 1.00 40.32 H new ATOM 0 HB VAL A 64 1.868 2.984 3.009 1.00 21.34 H new ATOM 0 HG11 VAL A 64 2.503 4.445 1.137 1.00 13.12 H new ATOM 0 HG12 VAL A 64 3.020 2.762 0.877 1.00 13.12 H new ATOM 0 HG13 VAL A 64 1.597 3.398 0.019 1.00 13.12 H new ATOM 0 HG21 VAL A 64 0.471 4.945 2.439 1.00 1.24 H new ATOM 0 HG22 VAL A 64 -0.539 3.913 1.399 1.00 1.24 H new ATOM 0 HG23 VAL A 64 -0.491 3.630 3.156 1.00 1.24 H new ATOM 1000 N TYR A 65 2.136 0.327 0.253 1.00 14.14 N ATOM 1001 CA TYR A 65 3.304 -0.446 -0.172 1.00 14.33 C ATOM 1002 C TYR A 65 3.943 0.125 -1.451 1.00 1.13 C ATOM 1003 O TYR A 65 3.273 0.358 -2.461 1.00 71.01 O ATOM 1004 CB TYR A 65 2.940 -1.931 -0.349 1.00 53.22 C ATOM 1005 CG TYR A 65 2.098 -2.265 -1.576 1.00 31.31 C ATOM 1006 CD1 TYR A 65 0.801 -1.782 -1.730 1.00 53.42 C ATOM 1007 CD2 TYR A 65 2.604 -3.089 -2.574 1.00 32.43 C ATOM 1008 CE1 TYR A 65 0.043 -2.111 -2.843 1.00 21.20 C ATOM 1009 CE2 TYR A 65 1.851 -3.426 -3.683 1.00 40.53 C ATOM 1010 CZ TYR A 65 0.573 -2.935 -3.815 1.00 34.35 C ATOM 1011 OH TYR A 65 -0.181 -3.276 -4.917 1.00 33.11 O ATOM 0 H TYR A 65 1.510 0.606 -0.503 1.00 14.14 H new ATOM 0 HA TYR A 65 4.051 -0.367 0.618 1.00 14.33 H new ATOM 0 HB2 TYR A 65 3.863 -2.509 -0.397 1.00 53.22 H new ATOM 0 HB3 TYR A 65 2.402 -2.262 0.539 1.00 53.22 H new ATOM 0 HD1 TYR A 65 0.379 -1.141 -0.970 1.00 53.42 H new ATOM 0 HD2 TYR A 65 3.608 -3.475 -2.481 1.00 32.43 H new ATOM 0 HE1 TYR A 65 -0.960 -1.724 -2.949 1.00 21.20 H new ATOM 0 HE2 TYR A 65 2.265 -4.072 -4.443 1.00 40.53 H new ATOM 0 HH TYR A 65 0.100 -2.736 -5.685 1.00 33.11 H new ATOM 1021 N GLY A 66 5.247 0.373 -1.377 1.00 34.11 N ATOM 1022 CA GLY A 66 6.017 0.821 -2.530 1.00 73.40 C ATOM 1023 C GLY A 66 6.885 -0.293 -3.103 1.00 35.23 C ATOM 1024 O GLY A 66 6.660 -1.475 -2.827 1.00 45.51 O ATOM 0 H GLY A 66 5.795 0.270 -0.523 1.00 34.11 H new ATOM 0 HA2 GLY A 66 5.338 1.184 -3.301 1.00 73.40 H new ATOM 0 HA3 GLY A 66 6.649 1.661 -2.240 1.00 73.40 H new ATOM 1028 N ALA A 67 7.874 0.074 -3.908 1.00 33.34 N ATOM 1029 CA ALA A 67 8.856 -0.895 -4.406 1.00 51.51 C ATOM 1030 C ALA A 67 9.915 -1.202 -3.335 1.00 62.15 C ATOM 1031 O ALA A 67 10.366 -2.342 -3.194 1.00 71.44 O ATOM 1032 CB ALA A 67 9.515 -0.379 -5.680 1.00 75.40 C ATOM 0 H ALA A 67 8.022 1.030 -4.232 1.00 33.34 H new ATOM 0 HA ALA A 67 8.332 -1.822 -4.639 1.00 51.51 H new ATOM 0 HB1 ALA A 67 10.241 -1.110 -6.036 1.00 75.40 H new ATOM 0 HB2 ALA A 67 8.754 -0.221 -6.445 1.00 75.40 H new ATOM 0 HB3 ALA A 67 10.022 0.563 -5.472 1.00 75.40 H new ATOM 1038 N GLY A 68 10.290 -0.172 -2.573 1.00 32.34 N ATOM 1039 CA GLY A 68 11.291 -0.325 -1.519 1.00 62.44 C ATOM 1040 C GLY A 68 10.979 0.487 -0.261 1.00 75.45 C ATOM 1041 O GLY A 68 9.962 1.184 -0.196 1.00 0.30 O ATOM 0 H GLY A 68 9.916 0.773 -2.667 1.00 32.34 H new ATOM 0 HA2 GLY A 68 11.368 -1.379 -1.252 1.00 62.44 H new ATOM 0 HA3 GLY A 68 12.264 -0.022 -1.906 1.00 62.44 H new ATOM 1045 N ASP A 69 11.866 0.395 0.734 1.00 15.22 N ATOM 1046 CA ASP A 69 11.679 1.053 2.037 1.00 52.22 C ATOM 1047 C ASP A 69 11.412 2.564 1.916 1.00 73.11 C ATOM 1048 O ASP A 69 10.429 3.067 2.459 1.00 2.00 O ATOM 1049 CB ASP A 69 12.916 0.832 2.917 1.00 63.12 C ATOM 1050 CG ASP A 69 13.165 -0.633 3.217 1.00 21.33 C ATOM 1051 OD1 ASP A 69 12.613 -1.142 4.212 1.00 33.21 O ATOM 1052 OD2 ASP A 69 13.907 -1.287 2.454 1.00 0.44 O ATOM 0 H ASP A 69 12.734 -0.136 0.662 1.00 15.22 H new ATOM 0 HA ASP A 69 10.797 0.600 2.490 1.00 52.22 H new ATOM 0 HB2 ASP A 69 13.791 1.251 2.419 1.00 63.12 H new ATOM 0 HB3 ASP A 69 12.792 1.375 3.854 1.00 63.12 H new ATOM 1057 N GLU A 70 12.270 3.277 1.187 1.00 51.31 N ATOM 1058 CA GLU A 70 12.173 4.740 1.101 1.00 3.30 C ATOM 1059 C GLU A 70 10.851 5.191 0.460 1.00 4.32 C ATOM 1060 O GLU A 70 10.148 6.038 1.009 1.00 52.01 O ATOM 1061 CB GLU A 70 13.364 5.316 0.325 1.00 40.12 C ATOM 1062 CG GLU A 70 13.361 6.839 0.248 1.00 33.41 C ATOM 1063 CD GLU A 70 14.600 7.402 -0.428 1.00 70.14 C ATOM 1064 OE1 GLU A 70 14.636 7.448 -1.676 1.00 1.24 O ATOM 1065 OE2 GLU A 70 15.540 7.809 0.287 1.00 14.01 O ATOM 0 H GLU A 70 13.036 2.872 0.650 1.00 51.31 H new ATOM 0 HA GLU A 70 12.194 5.126 2.120 1.00 3.30 H new ATOM 0 HB2 GLU A 70 14.289 4.986 0.797 1.00 40.12 H new ATOM 0 HB3 GLU A 70 13.360 4.909 -0.686 1.00 40.12 H new ATOM 0 HG2 GLU A 70 12.476 7.168 -0.296 1.00 33.41 H new ATOM 0 HG3 GLU A 70 13.286 7.248 1.256 1.00 33.41 H new ATOM 1072 N GLN A 71 10.512 4.618 -0.693 1.00 20.05 N ATOM 1073 CA GLN A 71 9.261 4.959 -1.386 1.00 15.13 C ATOM 1074 C GLN A 71 8.043 4.690 -0.489 1.00 50.11 C ATOM 1075 O GLN A 71 7.148 5.528 -0.360 1.00 71.42 O ATOM 1076 CB GLN A 71 9.134 4.154 -2.687 1.00 74.11 C ATOM 1077 CG GLN A 71 7.941 4.559 -3.548 1.00 35.04 C ATOM 1078 CD GLN A 71 7.892 3.817 -4.871 1.00 41.54 C ATOM 1079 OE1 GLN A 71 8.319 2.672 -4.972 1.00 44.41 O ATOM 1080 NE2 GLN A 71 7.375 4.464 -5.897 1.00 33.53 N ATOM 0 H GLN A 71 11.080 3.918 -1.170 1.00 20.05 H new ATOM 0 HA GLN A 71 9.289 6.023 -1.623 1.00 15.13 H new ATOM 0 HB2 GLN A 71 10.048 4.275 -3.269 1.00 74.11 H new ATOM 0 HB3 GLN A 71 9.050 3.095 -2.442 1.00 74.11 H new ATOM 0 HG2 GLN A 71 7.020 4.370 -2.996 1.00 35.04 H new ATOM 0 HG3 GLN A 71 7.984 5.631 -3.739 1.00 35.04 H new ATOM 0 HE21 GLN A 71 7.029 5.416 -5.778 1.00 33.53 H new ATOM 0 HE22 GLN A 71 7.321 4.012 -6.810 1.00 33.53 H new ATOM 1089 N THR A 72 8.030 3.514 0.131 1.00 55.22 N ATOM 1090 CA THR A 72 6.934 3.100 1.013 1.00 21.11 C ATOM 1091 C THR A 72 6.799 4.039 2.221 1.00 4.24 C ATOM 1092 O THR A 72 5.732 4.599 2.472 1.00 34.21 O ATOM 1093 CB THR A 72 7.155 1.649 1.514 1.00 65.11 C ATOM 1094 OG1 THR A 72 7.306 0.758 0.398 1.00 33.30 O ATOM 1095 CG2 THR A 72 5.997 1.175 2.380 1.00 31.35 C ATOM 0 H THR A 72 8.773 2.821 0.040 1.00 55.22 H new ATOM 0 HA THR A 72 6.014 3.148 0.430 1.00 21.11 H new ATOM 0 HB THR A 72 8.063 1.645 2.118 1.00 65.11 H new ATOM 0 HG1 THR A 72 8.227 0.802 0.067 1.00 33.30 H new ATOM 0 HG21 THR A 72 6.186 0.155 2.713 1.00 31.35 H new ATOM 0 HG22 THR A 72 5.900 1.828 3.247 1.00 31.35 H new ATOM 0 HG23 THR A 72 5.074 1.203 1.800 1.00 31.35 H new ATOM 1103 N SER A 73 7.898 4.223 2.945 1.00 62.14 N ATOM 1104 CA SER A 73 7.909 5.043 4.166 1.00 33.44 C ATOM 1105 C SER A 73 7.619 6.527 3.873 1.00 52.35 C ATOM 1106 O SER A 73 6.889 7.186 4.618 1.00 61.35 O ATOM 1107 CB SER A 73 9.263 4.912 4.876 1.00 61.32 C ATOM 1108 OG SER A 73 9.283 5.629 6.104 1.00 73.12 O ATOM 0 H SER A 73 8.803 3.815 2.710 1.00 62.14 H new ATOM 0 HA SER A 73 7.114 4.672 4.812 1.00 33.44 H new ATOM 0 HB2 SER A 73 9.475 3.860 5.065 1.00 61.32 H new ATOM 0 HB3 SER A 73 10.054 5.284 4.224 1.00 61.32 H new ATOM 0 HG SER A 73 8.845 5.097 6.801 1.00 73.12 H new ATOM 1114 N GLN A 74 8.184 7.047 2.782 1.00 65.24 N ATOM 1115 CA GLN A 74 7.986 8.440 2.393 1.00 62.25 C ATOM 1116 C GLN A 74 6.512 8.719 2.061 1.00 72.41 C ATOM 1117 O GLN A 74 5.946 9.720 2.503 1.00 55.35 O ATOM 1118 CB GLN A 74 8.899 8.765 1.203 1.00 31.23 C ATOM 1119 CG GLN A 74 8.439 9.948 0.371 1.00 10.11 C ATOM 1120 CD GLN A 74 9.401 10.311 -0.753 1.00 61.31 C ATOM 1121 OE1 GLN A 74 9.512 11.469 -1.142 1.00 64.54 O ATOM 1122 NE2 GLN A 74 10.105 9.330 -1.285 1.00 31.45 N ATOM 0 H GLN A 74 8.786 6.519 2.150 1.00 65.24 H new ATOM 0 HA GLN A 74 8.250 9.087 3.229 1.00 62.25 H new ATOM 0 HB2 GLN A 74 9.904 8.965 1.575 1.00 31.23 H new ATOM 0 HB3 GLN A 74 8.966 7.887 0.560 1.00 31.23 H new ATOM 0 HG2 GLN A 74 7.462 9.723 -0.056 1.00 10.11 H new ATOM 0 HG3 GLN A 74 8.311 10.812 1.022 1.00 10.11 H new ATOM 0 HE21 GLN A 74 9.992 8.376 -0.941 1.00 31.45 H new ATOM 0 HE22 GLN A 74 10.762 9.525 -2.040 1.00 31.45 H new ATOM 1131 N ALA A 75 5.896 7.823 1.293 1.00 30.41 N ATOM 1132 CA ALA A 75 4.467 7.926 0.974 1.00 13.14 C ATOM 1133 C ALA A 75 3.614 7.965 2.254 1.00 71.12 C ATOM 1134 O ALA A 75 2.728 8.810 2.405 1.00 72.45 O ATOM 1135 CB ALA A 75 4.052 6.757 0.093 1.00 61.12 C ATOM 0 H ALA A 75 6.361 7.016 0.878 1.00 30.41 H new ATOM 0 HA ALA A 75 4.299 8.858 0.435 1.00 13.14 H new ATOM 0 HB1 ALA A 75 2.991 6.837 -0.142 1.00 61.12 H new ATOM 0 HB2 ALA A 75 4.630 6.774 -0.831 1.00 61.12 H new ATOM 0 HB3 ALA A 75 4.238 5.821 0.619 1.00 61.12 H new ATOM 1141 N VAL A 76 3.891 7.038 3.168 1.00 4.12 N ATOM 1142 CA VAL A 76 3.240 7.021 4.489 1.00 23.12 C ATOM 1143 C VAL A 76 3.368 8.376 5.211 1.00 54.24 C ATOM 1144 O VAL A 76 2.393 8.882 5.775 1.00 15.40 O ATOM 1145 CB VAL A 76 3.828 5.901 5.389 1.00 43.30 C ATOM 1146 CG1 VAL A 76 3.285 5.984 6.816 1.00 43.35 C ATOM 1147 CG2 VAL A 76 3.538 4.530 4.783 1.00 74.43 C ATOM 0 H VAL A 76 4.563 6.284 3.024 1.00 4.12 H new ATOM 0 HA VAL A 76 2.183 6.823 4.312 1.00 23.12 H new ATOM 0 HB VAL A 76 4.907 6.044 5.440 1.00 43.30 H new ATOM 0 HG11 VAL A 76 3.718 5.185 7.417 1.00 43.35 H new ATOM 0 HG12 VAL A 76 3.549 6.948 7.250 1.00 43.35 H new ATOM 0 HG13 VAL A 76 2.200 5.878 6.799 1.00 43.35 H new ATOM 0 HG21 VAL A 76 3.956 3.753 5.424 1.00 74.43 H new ATOM 0 HG22 VAL A 76 2.460 4.390 4.698 1.00 74.43 H new ATOM 0 HG23 VAL A 76 3.991 4.466 3.794 1.00 74.43 H new ATOM 1157 N ASN A 77 4.571 8.952 5.194 1.00 24.24 N ATOM 1158 CA ASN A 77 4.810 10.278 5.784 1.00 45.32 C ATOM 1159 C ASN A 77 3.897 11.334 5.151 1.00 53.53 C ATOM 1160 O ASN A 77 3.243 12.112 5.843 1.00 64.31 O ATOM 1161 CB ASN A 77 6.270 10.691 5.582 1.00 73.11 C ATOM 1162 CG ASN A 77 6.637 11.956 6.348 1.00 43.11 C ATOM 1163 OD1 ASN A 77 6.103 12.233 7.420 1.00 21.44 O ATOM 1164 ND2 ASN A 77 7.546 12.737 5.803 1.00 72.04 N ATOM 0 H ASN A 77 5.398 8.524 4.779 1.00 24.24 H new ATOM 0 HA ASN A 77 4.590 10.214 6.850 1.00 45.32 H new ATOM 0 HB2 ASN A 77 6.921 9.877 5.901 1.00 73.11 H new ATOM 0 HB3 ASN A 77 6.455 10.849 4.519 1.00 73.11 H new ATOM 0 HD21 ASN A 77 7.825 13.599 6.272 1.00 72.04 H new ATOM 0 HD22 ASN A 77 7.971 12.480 4.912 1.00 72.04 H new ATOM 1171 N LEU A 78 3.869 11.342 3.826 1.00 64.31 N ATOM 1172 CA LEU A 78 3.063 12.290 3.057 1.00 11.24 C ATOM 1173 C LEU A 78 1.567 12.179 3.394 1.00 33.34 C ATOM 1174 O LEU A 78 0.881 13.190 3.544 1.00 64.21 O ATOM 1175 CB LEU A 78 3.311 12.050 1.564 1.00 40.12 C ATOM 1176 CG LEU A 78 4.768 12.274 1.120 1.00 53.20 C ATOM 1177 CD1 LEU A 78 5.040 11.610 -0.224 1.00 13.41 C ATOM 1178 CD2 LEU A 78 5.096 13.768 1.062 1.00 23.11 C ATOM 0 H LEU A 78 4.404 10.692 3.250 1.00 64.31 H new ATOM 0 HA LEU A 78 3.364 13.304 3.322 1.00 11.24 H new ATOM 0 HB2 LEU A 78 3.022 11.028 1.319 1.00 40.12 H new ATOM 0 HB3 LEU A 78 2.662 12.711 0.989 1.00 40.12 H new ATOM 0 HG LEU A 78 5.418 11.810 1.862 1.00 53.20 H new ATOM 0 HD11 LEU A 78 6.076 11.784 -0.513 1.00 13.41 H new ATOM 0 HD12 LEU A 78 4.861 10.538 -0.143 1.00 13.41 H new ATOM 0 HD13 LEU A 78 4.377 12.032 -0.979 1.00 13.41 H new ATOM 0 HD21 LEU A 78 6.131 13.901 0.746 1.00 23.11 H new ATOM 0 HD22 LEU A 78 4.433 14.259 0.350 1.00 23.11 H new ATOM 0 HD23 LEU A 78 4.958 14.209 2.049 1.00 23.11 H new ATOM 1190 N LEU A 79 1.068 10.951 3.531 1.00 72.23 N ATOM 1191 CA LEU A 79 -0.340 10.726 3.878 1.00 61.53 C ATOM 1192 C LEU A 79 -0.677 11.243 5.285 1.00 74.41 C ATOM 1193 O LEU A 79 -1.660 11.966 5.465 1.00 23.43 O ATOM 1194 CB LEU A 79 -0.702 9.240 3.756 1.00 24.40 C ATOM 1195 CG LEU A 79 -0.849 8.721 2.317 1.00 74.22 C ATOM 1196 CD1 LEU A 79 -1.145 7.226 2.309 1.00 34.03 C ATOM 1197 CD2 LEU A 79 -1.942 9.487 1.575 1.00 70.23 C ATOM 0 H LEU A 79 1.613 10.098 3.408 1.00 72.23 H new ATOM 0 HA LEU A 79 -0.939 11.294 3.166 1.00 61.53 H new ATOM 0 HB2 LEU A 79 0.065 8.653 4.261 1.00 24.40 H new ATOM 0 HB3 LEU A 79 -1.638 9.065 4.286 1.00 24.40 H new ATOM 0 HG LEU A 79 0.096 8.885 1.800 1.00 74.22 H new ATOM 0 HD11 LEU A 79 -1.245 6.880 1.280 1.00 34.03 H new ATOM 0 HD12 LEU A 79 -0.328 6.691 2.794 1.00 34.03 H new ATOM 0 HD13 LEU A 79 -2.073 7.036 2.847 1.00 34.03 H new ATOM 0 HD21 LEU A 79 -2.029 9.103 0.558 1.00 70.23 H new ATOM 0 HD22 LEU A 79 -2.892 9.359 2.094 1.00 70.23 H new ATOM 0 HD23 LEU A 79 -1.686 10.546 1.542 1.00 70.23 H new ATOM 1209 N ARG A 80 0.128 10.886 6.286 1.00 53.11 N ATOM 1210 CA ARG A 80 -0.113 11.379 7.649 1.00 74.42 C ATOM 1211 C ARG A 80 0.133 12.894 7.741 1.00 12.41 C ATOM 1212 O ARG A 80 -0.494 13.585 8.541 1.00 73.44 O ATOM 1213 CB ARG A 80 0.720 10.609 8.688 1.00 71.23 C ATOM 1214 CG ARG A 80 2.223 10.629 8.452 1.00 14.44 C ATOM 1215 CD ARG A 80 2.953 9.751 9.466 1.00 54.21 C ATOM 1216 NE ARG A 80 2.469 8.365 9.441 1.00 71.24 N ATOM 1217 CZ ARG A 80 2.247 7.636 10.508 1.00 11.32 C ATOM 1218 NH1 ARG A 80 2.452 8.114 11.690 1.00 32.35 N ATOM 1219 NH2 ARG A 80 1.810 6.421 10.393 1.00 42.14 N ATOM 0 H ARG A 80 0.936 10.271 6.187 1.00 53.11 H new ATOM 0 HA ARG A 80 -1.162 11.198 7.882 1.00 74.42 H new ATOM 0 HB2 ARG A 80 0.517 11.025 9.675 1.00 71.23 H new ATOM 0 HB3 ARG A 80 0.384 9.572 8.704 1.00 71.23 H new ATOM 0 HG2 ARG A 80 2.440 10.280 7.442 1.00 14.44 H new ATOM 0 HG3 ARG A 80 2.591 11.653 8.522 1.00 14.44 H new ATOM 0 HD2 ARG A 80 4.022 9.766 9.255 1.00 54.21 H new ATOM 0 HD3 ARG A 80 2.820 10.164 10.466 1.00 54.21 H new ATOM 0 HE ARG A 80 2.293 7.940 8.531 1.00 71.24 H new ATOM 0 HH11 ARG A 80 2.791 9.070 11.802 1.00 32.35 H new ATOM 0 HH12 ARG A 80 2.275 7.536 12.512 1.00 32.35 H new ATOM 0 HH21 ARG A 80 1.637 6.027 9.468 1.00 42.14 H new ATOM 0 HH22 ARG A 80 1.639 5.859 11.227 1.00 42.14 H new ATOM 1233 N SER A 81 1.036 13.409 6.902 1.00 14.11 N ATOM 1234 CA SER A 81 1.209 14.864 6.750 1.00 11.22 C ATOM 1235 C SER A 81 -0.010 15.485 6.053 1.00 34.24 C ATOM 1236 O SER A 81 -0.273 16.680 6.181 1.00 74.04 O ATOM 1237 CB SER A 81 2.476 15.187 5.944 1.00 22.34 C ATOM 1238 OG SER A 81 2.629 16.592 5.755 1.00 75.31 O ATOM 0 H SER A 81 1.657 12.848 6.319 1.00 14.11 H new ATOM 0 HA SER A 81 1.308 15.289 7.749 1.00 11.22 H new ATOM 0 HB2 SER A 81 3.349 14.791 6.462 1.00 22.34 H new ATOM 0 HB3 SER A 81 2.428 14.691 4.975 1.00 22.34 H new ATOM 0 HG SER A 81 3.445 16.766 5.240 1.00 75.31 H new ATOM 1244 N ALA A 82 -0.740 14.659 5.303 1.00 2.32 N ATOM 1245 CA ALA A 82 -1.969 15.085 4.624 1.00 74.45 C ATOM 1246 C ALA A 82 -3.209 14.869 5.513 1.00 23.42 C ATOM 1247 O ALA A 82 -4.343 14.933 5.039 1.00 43.41 O ATOM 1248 CB ALA A 82 -2.122 14.328 3.306 1.00 74.11 C ATOM 0 H ALA A 82 -0.500 13.680 5.148 1.00 2.32 H new ATOM 0 HA ALA A 82 -1.891 16.153 4.420 1.00 74.45 H new ATOM 0 HB1 ALA A 82 -3.036 14.648 2.806 1.00 74.11 H new ATOM 0 HB2 ALA A 82 -1.266 14.537 2.665 1.00 74.11 H new ATOM 0 HB3 ALA A 82 -2.173 13.258 3.505 1.00 74.11 H new ATOM 1254 N GLY A 83 -2.988 14.597 6.800 1.00 13.34 N ATOM 1255 CA GLY A 83 -4.094 14.458 7.745 1.00 44.25 C ATOM 1256 C GLY A 83 -4.497 13.009 8.016 1.00 15.50 C ATOM 1257 O GLY A 83 -5.148 12.720 9.023 1.00 43.24 O ATOM 0 H GLY A 83 -2.062 14.470 7.208 1.00 13.34 H new ATOM 0 HA2 GLY A 83 -3.816 14.930 8.687 1.00 44.25 H new ATOM 0 HA3 GLY A 83 -4.958 15.000 7.360 1.00 44.25 H new ATOM 1261 N PHE A 84 -4.150 12.102 7.103 1.00 52.41 N ATOM 1262 CA PHE A 84 -4.438 10.674 7.282 1.00 43.31 C ATOM 1263 C PHE A 84 -3.785 10.115 8.554 1.00 15.20 C ATOM 1264 O PHE A 84 -2.589 9.829 8.592 1.00 24.15 O ATOM 1265 CB PHE A 84 -3.985 9.873 6.060 1.00 62.25 C ATOM 1266 CG PHE A 84 -4.768 10.178 4.810 1.00 62.24 C ATOM 1267 CD1 PHE A 84 -5.976 9.546 4.568 1.00 25.31 C ATOM 1268 CD2 PHE A 84 -4.294 11.091 3.880 1.00 54.42 C ATOM 1269 CE1 PHE A 84 -6.697 9.818 3.420 1.00 40.31 C ATOM 1270 CE2 PHE A 84 -5.010 11.365 2.732 1.00 62.11 C ATOM 1271 CZ PHE A 84 -6.213 10.728 2.503 1.00 63.43 C ATOM 0 H PHE A 84 -3.670 12.328 6.232 1.00 52.41 H new ATOM 0 HA PHE A 84 -5.518 10.574 7.391 1.00 43.31 H new ATOM 0 HB2 PHE A 84 -2.930 10.075 5.875 1.00 62.25 H new ATOM 0 HB3 PHE A 84 -4.072 8.809 6.282 1.00 62.25 H new ATOM 0 HD1 PHE A 84 -6.359 8.833 5.283 1.00 25.31 H new ATOM 0 HD2 PHE A 84 -3.354 11.593 4.056 1.00 54.42 H new ATOM 0 HE1 PHE A 84 -7.638 9.319 3.241 1.00 40.31 H new ATOM 0 HE2 PHE A 84 -4.630 12.077 2.014 1.00 62.11 H new ATOM 0 HZ PHE A 84 -6.775 10.942 1.606 1.00 63.43 H new ATOM 1281 N GLU A 85 -4.601 9.961 9.585 1.00 14.31 N ATOM 1282 CA GLU A 85 -4.153 9.509 10.903 1.00 61.44 C ATOM 1283 C GLU A 85 -3.694 8.040 10.897 1.00 12.21 C ATOM 1284 O GLU A 85 -2.684 7.690 11.514 1.00 72.24 O ATOM 1285 CB GLU A 85 -5.307 9.685 11.894 1.00 54.33 C ATOM 1286 CG GLU A 85 -5.767 11.134 12.032 1.00 34.20 C ATOM 1287 CD GLU A 85 -7.024 11.284 12.873 1.00 21.41 C ATOM 1288 OE1 GLU A 85 -8.085 10.775 12.457 1.00 3.22 O ATOM 1289 OE2 GLU A 85 -6.959 11.917 13.948 1.00 64.20 O ATOM 0 H GLU A 85 -5.603 10.147 9.535 1.00 14.31 H new ATOM 0 HA GLU A 85 -3.291 10.110 11.194 1.00 61.44 H new ATOM 0 HB2 GLU A 85 -6.149 9.072 11.573 1.00 54.33 H new ATOM 0 HB3 GLU A 85 -4.998 9.314 12.871 1.00 54.33 H new ATOM 0 HG2 GLU A 85 -4.966 11.722 12.479 1.00 34.20 H new ATOM 0 HG3 GLU A 85 -5.950 11.547 11.040 1.00 34.20 H new ATOM 1296 N HIS A 86 -4.442 7.181 10.211 1.00 64.20 N ATOM 1297 CA HIS A 86 -4.164 5.735 10.221 1.00 22.53 C ATOM 1298 C HIS A 86 -3.470 5.273 8.929 1.00 64.51 C ATOM 1299 O HIS A 86 -4.127 4.874 7.972 1.00 74.14 O ATOM 1300 CB HIS A 86 -5.467 4.949 10.425 1.00 10.40 C ATOM 1301 CG HIS A 86 -6.188 5.287 11.696 1.00 62.12 C ATOM 1302 ND1 HIS A 86 -6.441 4.369 12.692 1.00 50.15 N ATOM 1303 CD2 HIS A 86 -6.720 6.455 12.132 1.00 23.21 C ATOM 1304 CE1 HIS A 86 -7.091 4.955 13.676 1.00 75.14 C ATOM 1305 NE2 HIS A 86 -7.271 6.216 13.361 1.00 34.41 N ATOM 0 H HIS A 86 -5.243 7.452 9.641 1.00 64.20 H new ATOM 0 HA HIS A 86 -3.484 5.538 11.050 1.00 22.53 H new ATOM 0 HB2 HIS A 86 -6.130 5.139 9.581 1.00 10.40 H new ATOM 0 HB3 HIS A 86 -5.241 3.883 10.419 1.00 10.40 H new ATOM 0 HD2 HIS A 86 -6.711 7.399 11.607 1.00 23.21 H new ATOM 0 HE1 HIS A 86 -7.420 4.479 14.588 1.00 75.14 H new ATOM 0 HE2 HIS A 86 -7.746 6.908 13.940 1.00 34.41 H new ATOM 1314 N VAL A 87 -2.139 5.338 8.904 1.00 71.02 N ATOM 1315 CA VAL A 87 -1.363 4.907 7.729 1.00 2.33 C ATOM 1316 C VAL A 87 -0.116 4.103 8.143 1.00 41.04 C ATOM 1317 O VAL A 87 0.753 4.608 8.856 1.00 41.42 O ATOM 1318 CB VAL A 87 -0.915 6.114 6.861 1.00 43.51 C ATOM 1319 CG1 VAL A 87 -0.178 5.641 5.611 1.00 63.54 C ATOM 1320 CG2 VAL A 87 -2.106 6.991 6.482 1.00 52.22 C ATOM 0 H VAL A 87 -1.572 5.683 9.679 1.00 71.02 H new ATOM 0 HA VAL A 87 -2.025 4.272 7.141 1.00 2.33 H new ATOM 0 HB VAL A 87 -0.228 6.715 7.457 1.00 43.51 H new ATOM 0 HG11 VAL A 87 0.126 6.504 5.019 1.00 63.54 H new ATOM 0 HG12 VAL A 87 0.705 5.072 5.903 1.00 63.54 H new ATOM 0 HG13 VAL A 87 -0.838 5.008 5.017 1.00 63.54 H new ATOM 0 HG21 VAL A 87 -1.763 7.828 5.874 1.00 52.22 H new ATOM 0 HG22 VAL A 87 -2.826 6.402 5.914 1.00 52.22 H new ATOM 0 HG23 VAL A 87 -2.581 7.370 7.387 1.00 52.22 H new ATOM 1330 N SER A 88 -0.033 2.853 7.688 1.00 32.14 N ATOM 1331 CA SER A 88 1.097 1.967 8.020 1.00 4.30 C ATOM 1332 C SER A 88 1.868 1.542 6.764 1.00 44.22 C ATOM 1333 O SER A 88 1.274 1.325 5.703 1.00 31.02 O ATOM 1334 CB SER A 88 0.590 0.719 8.756 1.00 12.11 C ATOM 1335 OG SER A 88 1.653 -0.164 9.087 1.00 21.42 O ATOM 0 H SER A 88 -0.735 2.424 7.085 1.00 32.14 H new ATOM 0 HA SER A 88 1.776 2.525 8.665 1.00 4.30 H new ATOM 0 HB2 SER A 88 0.070 1.019 9.666 1.00 12.11 H new ATOM 0 HB3 SER A 88 -0.135 0.198 8.131 1.00 12.11 H new ATOM 0 HG SER A 88 1.786 -0.166 10.058 1.00 21.42 H new ATOM 1341 N GLU A 89 3.190 1.431 6.886 1.00 55.53 N ATOM 1342 CA GLU A 89 4.041 0.999 5.771 1.00 32.03 C ATOM 1343 C GLU A 89 4.191 -0.533 5.735 1.00 63.44 C ATOM 1344 O GLU A 89 4.541 -1.164 6.736 1.00 33.33 O ATOM 1345 CB GLU A 89 5.428 1.668 5.855 1.00 21.33 C ATOM 1346 CG GLU A 89 6.131 1.502 7.197 1.00 51.14 C ATOM 1347 CD GLU A 89 7.576 1.982 7.177 1.00 72.53 C ATOM 1348 OE1 GLU A 89 7.814 3.203 7.302 1.00 4.22 O ATOM 1349 OE2 GLU A 89 8.484 1.132 7.047 1.00 60.15 O ATOM 0 H GLU A 89 3.699 1.634 7.746 1.00 55.53 H new ATOM 0 HA GLU A 89 3.554 1.311 4.847 1.00 32.03 H new ATOM 0 HB2 GLU A 89 6.064 1.255 5.073 1.00 21.33 H new ATOM 0 HB3 GLU A 89 5.317 2.732 5.647 1.00 21.33 H new ATOM 0 HG2 GLU A 89 5.581 2.054 7.959 1.00 51.14 H new ATOM 0 HG3 GLU A 89 6.107 0.451 7.485 1.00 51.14 H new ATOM 1356 N LEU A 90 3.912 -1.127 4.576 1.00 22.21 N ATOM 1357 CA LEU A 90 4.038 -2.575 4.398 1.00 51.35 C ATOM 1358 C LEU A 90 5.506 -2.971 4.171 1.00 40.25 C ATOM 1359 O LEU A 90 6.048 -2.822 3.071 1.00 72.23 O ATOM 1360 CB LEU A 90 3.168 -3.051 3.224 1.00 14.42 C ATOM 1361 CG LEU A 90 3.076 -4.576 3.054 1.00 70.22 C ATOM 1362 CD1 LEU A 90 2.401 -5.215 4.268 1.00 51.14 C ATOM 1363 CD2 LEU A 90 2.332 -4.932 1.767 1.00 24.15 C ATOM 0 H LEU A 90 3.597 -0.628 3.744 1.00 22.21 H new ATOM 0 HA LEU A 90 3.689 -3.061 5.309 1.00 51.35 H new ATOM 0 HB2 LEU A 90 2.161 -2.655 3.355 1.00 14.42 H new ATOM 0 HB3 LEU A 90 3.562 -2.622 2.303 1.00 14.42 H new ATOM 0 HG LEU A 90 4.088 -4.974 2.981 1.00 70.22 H new ATOM 0 HD11 LEU A 90 2.346 -6.294 4.127 1.00 51.14 H new ATOM 0 HD12 LEU A 90 2.981 -4.995 5.164 1.00 51.14 H new ATOM 0 HD13 LEU A 90 1.394 -4.812 4.379 1.00 51.14 H new ATOM 0 HD21 LEU A 90 2.278 -6.016 1.666 1.00 24.15 H new ATOM 0 HD22 LEU A 90 1.323 -4.520 1.804 1.00 24.15 H new ATOM 0 HD23 LEU A 90 2.863 -4.514 0.912 1.00 24.15 H new ATOM 1375 N LYS A 91 6.143 -3.462 5.226 1.00 0.11 N ATOM 1376 CA LYS A 91 7.561 -3.829 5.189 1.00 32.54 C ATOM 1377 C LYS A 91 7.869 -4.899 4.130 1.00 12.02 C ATOM 1378 O LYS A 91 7.416 -6.044 4.219 1.00 15.51 O ATOM 1379 CB LYS A 91 8.014 -4.300 6.579 1.00 4.15 C ATOM 1380 CG LYS A 91 8.099 -3.180 7.622 1.00 3.12 C ATOM 1381 CD LYS A 91 9.478 -2.515 7.667 1.00 22.52 C ATOM 1382 CE LYS A 91 9.815 -1.762 6.381 1.00 70.30 C ATOM 1383 NZ LYS A 91 11.174 -1.159 6.426 1.00 2.33 N ATOM 0 H LYS A 91 5.698 -3.618 6.130 1.00 0.11 H new ATOM 0 HA LYS A 91 8.120 -2.938 4.904 1.00 32.54 H new ATOM 0 HB2 LYS A 91 7.322 -5.063 6.936 1.00 4.15 H new ATOM 0 HB3 LYS A 91 8.992 -4.774 6.490 1.00 4.15 H new ATOM 0 HG2 LYS A 91 7.344 -2.426 7.401 1.00 3.12 H new ATOM 0 HG3 LYS A 91 7.865 -3.587 8.606 1.00 3.12 H new ATOM 0 HD2 LYS A 91 9.515 -1.823 8.508 1.00 22.52 H new ATOM 0 HD3 LYS A 91 10.237 -3.276 7.847 1.00 22.52 H new ATOM 0 HE2 LYS A 91 9.750 -2.445 5.534 1.00 70.30 H new ATOM 0 HE3 LYS A 91 9.076 -0.978 6.216 1.00 70.30 H new ATOM 0 HZ1 LYS A 91 11.702 -1.429 5.572 1.00 2.33 H new ATOM 0 HZ2 LYS A 91 11.093 -0.123 6.470 1.00 2.33 H new ATOM 0 HZ3 LYS A 91 11.678 -1.502 7.268 1.00 2.33 H new ATOM 1397 N GLY A 92 8.666 -4.512 3.138 1.00 25.44 N ATOM 1398 CA GLY A 92 9.029 -5.410 2.044 1.00 30.20 C ATOM 1399 C GLY A 92 8.320 -5.082 0.732 1.00 14.13 C ATOM 1400 O GLY A 92 8.783 -5.459 -0.349 1.00 34.32 O ATOM 0 H GLY A 92 9.074 -3.580 3.069 1.00 25.44 H new ATOM 0 HA2 GLY A 92 10.107 -5.364 1.888 1.00 30.20 H new ATOM 0 HA3 GLY A 92 8.792 -6.435 2.331 1.00 30.20 H new ATOM 1404 N GLY A 93 7.191 -4.385 0.824 1.00 34.15 N ATOM 1405 CA GLY A 93 6.443 -4.002 -0.368 1.00 12.21 C ATOM 1406 C GLY A 93 5.856 -5.194 -1.127 1.00 63.02 C ATOM 1407 O GLY A 93 5.579 -6.245 -0.542 1.00 14.44 O ATOM 0 H GLY A 93 6.777 -4.076 1.704 1.00 34.15 H new ATOM 0 HA2 GLY A 93 5.634 -3.330 -0.080 1.00 12.21 H new ATOM 0 HA3 GLY A 93 7.099 -3.443 -1.035 1.00 12.21 H new ATOM 1411 N LEU A 94 5.676 -5.029 -2.437 1.00 21.24 N ATOM 1412 CA LEU A 94 5.076 -6.073 -3.282 1.00 14.11 C ATOM 1413 C LEU A 94 5.894 -7.380 -3.281 1.00 64.40 C ATOM 1414 O LEU A 94 5.346 -8.466 -3.094 1.00 21.25 O ATOM 1415 CB LEU A 94 4.927 -5.559 -4.718 1.00 50.12 C ATOM 1416 CG LEU A 94 4.228 -6.524 -5.687 1.00 0.44 C ATOM 1417 CD1 LEU A 94 2.794 -6.798 -5.236 1.00 12.21 C ATOM 1418 CD2 LEU A 94 4.262 -5.975 -7.110 1.00 61.54 C ATOM 0 H LEU A 94 5.936 -4.182 -2.942 1.00 21.24 H new ATOM 0 HA LEU A 94 4.097 -6.303 -2.861 1.00 14.11 H new ATOM 0 HB2 LEU A 94 4.369 -4.623 -4.696 1.00 50.12 H new ATOM 0 HB3 LEU A 94 5.918 -5.330 -5.110 1.00 50.12 H new ATOM 0 HG LEU A 94 4.768 -7.471 -5.679 1.00 0.44 H new ATOM 0 HD11 LEU A 94 2.317 -7.484 -5.936 1.00 12.21 H new ATOM 0 HD12 LEU A 94 2.804 -7.244 -4.241 1.00 12.21 H new ATOM 0 HD13 LEU A 94 2.236 -5.862 -5.208 1.00 12.21 H new ATOM 0 HD21 LEU A 94 3.762 -6.673 -7.781 1.00 61.54 H new ATOM 0 HD22 LEU A 94 3.751 -5.013 -7.141 1.00 61.54 H new ATOM 0 HD23 LEU A 94 5.297 -5.847 -7.426 1.00 61.54 H new ATOM 1430 N ALA A 95 7.206 -7.270 -3.501 1.00 72.23 N ATOM 1431 CA ALA A 95 8.104 -8.433 -3.510 1.00 5.51 C ATOM 1432 C ALA A 95 7.945 -9.304 -2.250 1.00 41.23 C ATOM 1433 O ALA A 95 7.977 -10.529 -2.337 1.00 15.21 O ATOM 1434 CB ALA A 95 9.551 -7.971 -3.662 1.00 12.22 C ATOM 0 H ALA A 95 7.675 -6.382 -3.677 1.00 72.23 H new ATOM 0 HA ALA A 95 7.829 -9.055 -4.362 1.00 5.51 H new ATOM 0 HB1 ALA A 95 10.211 -8.838 -3.668 1.00 12.22 H new ATOM 0 HB2 ALA A 95 9.662 -7.424 -4.598 1.00 12.22 H new ATOM 0 HB3 ALA A 95 9.815 -7.320 -2.828 1.00 12.22 H new ATOM 1440 N ALA A 96 7.763 -8.676 -1.089 1.00 15.21 N ATOM 1441 CA ALA A 96 7.523 -9.421 0.157 1.00 13.22 C ATOM 1442 C ALA A 96 6.155 -10.117 0.132 1.00 4.05 C ATOM 1443 O ALA A 96 6.042 -11.299 0.462 1.00 0.34 O ATOM 1444 CB ALA A 96 7.628 -8.496 1.361 1.00 1.53 C ATOM 0 H ALA A 96 7.776 -7.662 -0.980 1.00 15.21 H new ATOM 0 HA ALA A 96 8.291 -10.190 0.241 1.00 13.22 H new ATOM 0 HB1 ALA A 96 7.448 -9.064 2.273 1.00 1.53 H new ATOM 0 HB2 ALA A 96 8.626 -8.058 1.398 1.00 1.53 H new ATOM 0 HB3 ALA A 96 6.886 -7.702 1.276 1.00 1.53 H new ATOM 1450 N TRP A 97 5.122 -9.374 -0.270 1.00 45.42 N ATOM 1451 CA TRP A 97 3.771 -9.930 -0.439 1.00 71.45 C ATOM 1452 C TRP A 97 3.804 -11.183 -1.332 1.00 1.12 C ATOM 1453 O TRP A 97 3.094 -12.164 -1.098 1.00 31.30 O ATOM 1454 CB TRP A 97 2.855 -8.870 -1.066 1.00 43.15 C ATOM 1455 CG TRP A 97 1.428 -9.310 -1.224 1.00 30.31 C ATOM 1456 CD1 TRP A 97 0.867 -9.944 -2.299 1.00 74.01 C ATOM 1457 CD2 TRP A 97 0.379 -9.133 -0.273 1.00 32.13 C ATOM 1458 NE1 TRP A 97 -0.465 -10.174 -2.065 1.00 34.32 N ATOM 1459 CE2 TRP A 97 -0.789 -9.683 -0.830 1.00 23.04 C ATOM 1460 CE3 TRP A 97 0.319 -8.563 0.998 1.00 50.52 C ATOM 1461 CZ2 TRP A 97 -2.007 -9.676 -0.157 1.00 21.14 C ATOM 1462 CZ3 TRP A 97 -0.889 -8.554 1.665 1.00 34.50 C ATOM 1463 CH2 TRP A 97 -2.039 -9.107 1.086 1.00 20.42 C ATOM 0 H TRP A 97 5.193 -8.380 -0.487 1.00 45.42 H new ATOM 0 HA TRP A 97 3.386 -10.215 0.540 1.00 71.45 H new ATOM 0 HB2 TRP A 97 2.881 -7.972 -0.449 1.00 43.15 H new ATOM 0 HB3 TRP A 97 3.250 -8.596 -2.044 1.00 43.15 H new ATOM 0 HD1 TRP A 97 1.395 -10.222 -3.199 1.00 74.01 H new ATOM 0 HE1 TRP A 97 -1.109 -10.636 -2.707 1.00 34.32 H new ATOM 0 HE3 TRP A 97 1.201 -8.137 1.452 1.00 50.52 H new ATOM 0 HZ2 TRP A 97 -2.894 -10.104 -0.600 1.00 21.14 H new ATOM 0 HZ3 TRP A 97 -0.949 -8.114 2.649 1.00 34.50 H new ATOM 0 HH2 TRP A 97 -2.970 -9.083 1.633 1.00 20.42 H new ATOM 1474 N LYS A 98 4.636 -11.125 -2.359 1.00 23.41 N ATOM 1475 CA LYS A 98 4.805 -12.232 -3.299 1.00 2.44 C ATOM 1476 C LYS A 98 5.697 -13.345 -2.720 1.00 1.30 C ATOM 1477 O LYS A 98 5.416 -14.534 -2.893 1.00 61.12 O ATOM 1478 CB LYS A 98 5.386 -11.677 -4.607 1.00 74.12 C ATOM 1479 CG LYS A 98 4.450 -10.679 -5.284 1.00 64.20 C ATOM 1480 CD LYS A 98 5.111 -9.912 -6.429 1.00 43.43 C ATOM 1481 CE LYS A 98 5.752 -10.834 -7.460 1.00 10.41 C ATOM 1482 NZ LYS A 98 5.592 -10.308 -8.843 1.00 15.24 N ATOM 0 H LYS A 98 5.215 -10.312 -2.568 1.00 23.41 H new ATOM 0 HA LYS A 98 3.834 -12.688 -3.491 1.00 2.44 H new ATOM 0 HB2 LYS A 98 6.340 -11.193 -4.400 1.00 74.12 H new ATOM 0 HB3 LYS A 98 5.588 -12.502 -5.290 1.00 74.12 H new ATOM 0 HG2 LYS A 98 3.579 -11.210 -5.667 1.00 64.20 H new ATOM 0 HG3 LYS A 98 4.089 -9.968 -4.541 1.00 64.20 H new ATOM 0 HD2 LYS A 98 4.366 -9.287 -6.920 1.00 43.43 H new ATOM 0 HD3 LYS A 98 5.870 -9.244 -6.023 1.00 43.43 H new ATOM 0 HE2 LYS A 98 6.812 -10.950 -7.235 1.00 10.41 H new ATOM 0 HE3 LYS A 98 5.301 -11.824 -7.393 1.00 10.41 H new ATOM 0 HZ1 LYS A 98 6.230 -10.820 -9.485 1.00 15.24 H new ATOM 0 HZ2 LYS A 98 4.608 -10.441 -9.154 1.00 15.24 H new ATOM 0 HZ3 LYS A 98 5.825 -9.295 -8.858 1.00 15.24 H new ATOM 1496 N ALA A 99 6.757 -12.952 -2.011 1.00 43.32 N ATOM 1497 CA ALA A 99 7.689 -13.908 -1.393 1.00 13.11 C ATOM 1498 C ALA A 99 6.996 -14.775 -0.330 1.00 53.22 C ATOM 1499 O ALA A 99 7.350 -15.939 -0.130 1.00 24.03 O ATOM 1500 CB ALA A 99 8.872 -13.167 -0.779 1.00 54.41 C ATOM 0 H ALA A 99 6.995 -11.974 -1.848 1.00 43.32 H new ATOM 0 HA ALA A 99 8.048 -14.573 -2.178 1.00 13.11 H new ATOM 0 HB1 ALA A 99 9.555 -13.885 -0.325 1.00 54.41 H new ATOM 0 HB2 ALA A 99 9.395 -12.610 -1.556 1.00 54.41 H new ATOM 0 HB3 ALA A 99 8.512 -12.476 -0.017 1.00 54.41 H new ATOM 1506 N ILE A 100 6.012 -14.201 0.355 1.00 33.42 N ATOM 1507 CA ILE A 100 5.224 -14.936 1.358 1.00 3.11 C ATOM 1508 C ILE A 100 4.071 -15.723 0.703 1.00 25.45 C ATOM 1509 O ILE A 100 3.262 -16.355 1.386 1.00 71.41 O ATOM 1510 CB ILE A 100 4.637 -13.969 2.416 1.00 73.15 C ATOM 1511 CG1 ILE A 100 3.617 -13.033 1.744 1.00 65.21 C ATOM 1512 CG2 ILE A 100 5.751 -13.171 3.097 1.00 45.53 C ATOM 1513 CD1 ILE A 100 2.955 -12.054 2.679 1.00 54.10 C ATOM 0 H ILE A 100 5.735 -13.226 0.238 1.00 33.42 H new ATOM 0 HA ILE A 100 5.902 -15.639 1.843 1.00 3.11 H new ATOM 0 HB ILE A 100 4.129 -14.547 3.188 1.00 73.15 H new ATOM 0 HG12 ILE A 100 4.120 -12.477 0.953 1.00 65.21 H new ATOM 0 HG13 ILE A 100 2.846 -13.639 1.268 1.00 65.21 H new ATOM 0 HG21 ILE A 100 5.317 -12.498 3.836 1.00 45.53 H new ATOM 0 HG22 ILE A 100 6.440 -13.856 3.591 1.00 45.53 H new ATOM 0 HG23 ILE A 100 6.291 -12.589 2.350 1.00 45.53 H new ATOM 0 HD11 ILE A 100 2.253 -11.435 2.120 1.00 54.10 H new ATOM 0 HD12 ILE A 100 2.420 -12.599 3.457 1.00 54.10 H new ATOM 0 HD13 ILE A 100 3.713 -11.419 3.137 1.00 54.10 H new ATOM 1525 N GLY A 101 3.993 -15.666 -0.627 1.00 13.32 N ATOM 1526 CA GLY A 101 2.955 -16.387 -1.359 1.00 15.45 C ATOM 1527 C GLY A 101 1.561 -15.778 -1.210 1.00 74.10 C ATOM 1528 O GLY A 101 0.598 -16.484 -0.910 1.00 15.22 O ATOM 0 H GLY A 101 4.632 -15.131 -1.215 1.00 13.32 H new ATOM 0 HA2 GLY A 101 3.219 -16.412 -2.416 1.00 15.45 H new ATOM 0 HA3 GLY A 101 2.929 -17.420 -1.012 1.00 15.45 H new ATOM 1532 N GLY A 102 1.452 -14.464 -1.391 1.00 22.42 N ATOM 1533 CA GLY A 102 0.151 -13.800 -1.331 1.00 52.01 C ATOM 1534 C GLY A 102 -0.532 -13.685 -2.693 1.00 13.14 C ATOM 1535 O GLY A 102 0.095 -13.924 -3.727 1.00 21.43 O ATOM 0 H GLY A 102 2.239 -13.843 -1.578 1.00 22.42 H new ATOM 0 HA2 GLY A 102 -0.499 -14.351 -0.652 1.00 52.01 H new ATOM 0 HA3 GLY A 102 0.279 -12.802 -0.911 1.00 52.01 H new ATOM 1539 N PRO A 103 -1.834 -13.331 -2.726 1.00 13.25 N ATOM 1540 CA PRO A 103 -2.577 -13.144 -3.987 1.00 51.43 C ATOM 1541 C PRO A 103 -2.116 -11.895 -4.764 1.00 32.55 C ATOM 1542 O PRO A 103 -2.193 -10.768 -4.258 1.00 73.42 O ATOM 1543 CB PRO A 103 -4.033 -13.004 -3.517 1.00 45.24 C ATOM 1544 CG PRO A 103 -3.932 -12.489 -2.119 1.00 61.54 C ATOM 1545 CD PRO A 103 -2.686 -13.108 -1.542 1.00 24.34 C ATOM 0 HA PRO A 103 -2.423 -13.967 -4.685 1.00 51.43 H new ATOM 0 HB2 PRO A 103 -4.590 -12.316 -4.153 1.00 45.24 H new ATOM 0 HB3 PRO A 103 -4.554 -13.961 -3.550 1.00 45.24 H new ATOM 0 HG2 PRO A 103 -3.870 -11.401 -2.107 1.00 61.54 H new ATOM 0 HG3 PRO A 103 -4.811 -12.764 -1.536 1.00 61.54 H new ATOM 0 HD2 PRO A 103 -2.206 -12.447 -0.821 1.00 24.34 H new ATOM 0 HD3 PRO A 103 -2.904 -14.041 -1.023 1.00 24.34 H new ATOM 1553 N THR A 104 -1.650 -12.098 -5.998 1.00 1.11 N ATOM 1554 CA THR A 104 -1.061 -11.014 -6.799 1.00 32.43 C ATOM 1555 C THR A 104 -1.828 -10.823 -8.110 1.00 22.53 C ATOM 1556 O THR A 104 -2.681 -11.639 -8.464 1.00 60.23 O ATOM 1557 CB THR A 104 0.436 -11.267 -7.118 1.00 3.42 C ATOM 1558 OG1 THR A 104 0.586 -12.304 -8.100 1.00 1.01 O ATOM 1559 CG2 THR A 104 1.200 -11.655 -5.859 1.00 32.51 C ATOM 0 H THR A 104 -1.668 -13.003 -6.468 1.00 1.11 H new ATOM 0 HA THR A 104 -1.135 -10.109 -6.195 1.00 32.43 H new ATOM 0 HB THR A 104 0.845 -10.338 -7.516 1.00 3.42 H new ATOM 0 HG1 THR A 104 1.319 -12.075 -8.708 1.00 1.01 H new ATOM 0 HG21 THR A 104 2.247 -11.827 -6.107 1.00 32.51 H new ATOM 0 HG22 THR A 104 1.128 -10.850 -5.127 1.00 32.51 H new ATOM 0 HG23 THR A 104 0.772 -12.566 -5.440 1.00 32.51 H new ATOM 1567 N GLU A 105 -1.537 -9.740 -8.823 1.00 23.34 N ATOM 1568 CA GLU A 105 -2.311 -9.386 -10.014 1.00 22.30 C ATOM 1569 C GLU A 105 -1.557 -8.415 -10.921 1.00 62.43 C ATOM 1570 O GLU A 105 -0.878 -7.510 -10.450 1.00 33.03 O ATOM 1571 CB GLU A 105 -3.634 -8.736 -9.587 1.00 24.13 C ATOM 1572 CG GLU A 105 -4.860 -9.249 -10.323 1.00 32.01 C ATOM 1573 CD GLU A 105 -6.037 -8.281 -10.254 1.00 0.31 C ATOM 1574 OE1 GLU A 105 -6.213 -7.609 -9.212 1.00 23.35 O ATOM 1575 OE2 GLU A 105 -6.773 -8.158 -11.257 1.00 44.54 O ATOM 0 H GLU A 105 -0.778 -9.095 -8.602 1.00 23.34 H new ATOM 0 HA GLU A 105 -2.491 -10.304 -10.574 1.00 22.30 H new ATOM 0 HB2 GLU A 105 -3.774 -8.898 -8.518 1.00 24.13 H new ATOM 0 HB3 GLU A 105 -3.560 -7.659 -9.739 1.00 24.13 H new ATOM 0 HG2 GLU A 105 -4.603 -9.428 -11.367 1.00 32.01 H new ATOM 0 HG3 GLU A 105 -5.158 -10.208 -9.899 1.00 32.01 H new ATOM 1582 N GLY A 106 -1.726 -8.567 -12.223 1.00 71.34 N ATOM 1583 CA GLY A 106 -1.072 -7.656 -13.153 1.00 14.55 C ATOM 1584 C GLY A 106 -0.951 -8.180 -14.575 1.00 31.44 C ATOM 1585 O GLY A 106 -0.996 -9.387 -14.818 1.00 42.20 O ATOM 0 H GLY A 106 -2.296 -9.294 -12.655 1.00 71.34 H new ATOM 0 HA2 GLY A 106 -1.626 -6.718 -13.172 1.00 14.55 H new ATOM 0 HA3 GLY A 106 -0.074 -7.429 -12.777 1.00 14.55 H new ATOM 1589 N ILE A 107 -0.790 -7.255 -15.516 1.00 23.33 N ATOM 1590 CA ILE A 107 -0.583 -7.585 -16.923 1.00 11.51 C ATOM 1591 C ILE A 107 0.676 -8.447 -17.106 1.00 44.14 C ATOM 1592 O ILE A 107 0.651 -9.473 -17.789 1.00 42.01 O ATOM 1593 CB ILE A 107 -0.447 -6.295 -17.769 1.00 42.13 C ATOM 1594 CG1 ILE A 107 -1.664 -5.378 -17.545 1.00 2.21 C ATOM 1595 CG2 ILE A 107 -0.279 -6.630 -19.251 1.00 24.02 C ATOM 1596 CD1 ILE A 107 -1.620 -4.091 -18.347 1.00 0.41 C ATOM 0 H ILE A 107 -0.799 -6.253 -15.325 1.00 23.33 H new ATOM 0 HA ILE A 107 -1.451 -8.150 -17.262 1.00 11.51 H new ATOM 0 HB ILE A 107 0.448 -5.763 -17.445 1.00 42.13 H new ATOM 0 HG12 ILE A 107 -2.571 -5.925 -17.803 1.00 2.21 H new ATOM 0 HG13 ILE A 107 -1.731 -5.132 -16.485 1.00 2.21 H new ATOM 0 HG21 ILE A 107 -0.186 -5.708 -19.824 1.00 24.02 H new ATOM 0 HG22 ILE A 107 0.617 -7.235 -19.388 1.00 24.02 H new ATOM 0 HG23 ILE A 107 -1.149 -7.187 -19.599 1.00 24.02 H new ATOM 0 HD11 ILE A 107 -2.511 -3.500 -18.135 1.00 0.41 H new ATOM 0 HD12 ILE A 107 -0.732 -3.521 -18.072 1.00 0.41 H new ATOM 0 HD13 ILE A 107 -1.585 -4.326 -19.411 1.00 0.41 H new ATOM 1608 N ILE A 108 1.779 -8.029 -16.482 1.00 54.22 N ATOM 1609 CA ILE A 108 3.044 -8.764 -16.588 1.00 73.21 C ATOM 1610 C ILE A 108 3.017 -10.059 -15.764 1.00 1.00 C ATOM 1611 O ILE A 108 3.598 -11.074 -16.153 1.00 11.24 O ATOM 1612 CB ILE A 108 4.256 -7.875 -16.182 1.00 31.41 C ATOM 1613 CG1 ILE A 108 4.579 -6.846 -17.287 1.00 5.54 C ATOM 1614 CG2 ILE A 108 5.488 -8.725 -15.875 1.00 54.21 C ATOM 1615 CD1 ILE A 108 3.435 -5.918 -17.646 1.00 10.01 C ATOM 0 H ILE A 108 1.824 -7.192 -15.901 1.00 54.22 H new ATOM 0 HA ILE A 108 3.166 -9.039 -17.636 1.00 73.21 H new ATOM 0 HB ILE A 108 3.979 -7.336 -15.276 1.00 31.41 H new ATOM 0 HG12 ILE A 108 5.429 -6.244 -16.966 1.00 5.54 H new ATOM 0 HG13 ILE A 108 4.888 -7.382 -18.184 1.00 5.54 H new ATOM 0 HG21 ILE A 108 6.317 -8.076 -15.595 1.00 54.21 H new ATOM 0 HG22 ILE A 108 5.265 -9.405 -15.053 1.00 54.21 H new ATOM 0 HG23 ILE A 108 5.761 -9.302 -16.759 1.00 54.21 H new ATOM 0 HD11 ILE A 108 3.756 -5.232 -18.430 1.00 10.01 H new ATOM 0 HD12 ILE A 108 2.588 -6.505 -18.002 1.00 10.01 H new ATOM 0 HD13 ILE A 108 3.138 -5.349 -16.765 1.00 10.01 H new ATOM 1627 N GLU A 109 2.302 -10.027 -14.649 1.00 65.11 N ATOM 1628 CA GLU A 109 2.152 -11.213 -13.784 1.00 70.40 C ATOM 1629 C GLU A 109 1.254 -12.288 -14.426 1.00 54.31 C ATOM 1630 O GLU A 109 1.042 -13.356 -13.849 1.00 2.23 O ATOM 1631 CB GLU A 109 1.579 -10.831 -12.406 1.00 13.10 C ATOM 1632 CG GLU A 109 2.474 -9.897 -11.600 1.00 71.44 C ATOM 1633 CD GLU A 109 2.199 -9.947 -10.103 1.00 4.33 C ATOM 1634 OE1 GLU A 109 1.324 -9.200 -9.623 1.00 21.54 O ATOM 1635 OE2 GLU A 109 2.869 -10.743 -9.404 1.00 43.42 O ATOM 0 H GLU A 109 1.812 -9.198 -14.312 1.00 65.11 H new ATOM 0 HA GLU A 109 3.152 -11.628 -13.657 1.00 70.40 H new ATOM 0 HB2 GLU A 109 0.608 -10.356 -12.547 1.00 13.10 H new ATOM 0 HB3 GLU A 109 1.408 -11.741 -11.830 1.00 13.10 H new ATOM 0 HG2 GLU A 109 3.517 -10.158 -11.780 1.00 71.44 H new ATOM 0 HG3 GLU A 109 2.335 -8.876 -11.955 1.00 71.44 H new ATOM 1642 N SER A 110 0.735 -12.005 -15.619 1.00 13.52 N ATOM 1643 CA SER A 110 -0.164 -12.932 -16.324 1.00 33.11 C ATOM 1644 C SER A 110 0.572 -14.148 -16.905 1.00 51.15 C ATOM 1645 O SER A 110 -0.048 -15.166 -17.204 1.00 44.45 O ATOM 1646 CB SER A 110 -0.910 -12.199 -17.446 1.00 21.53 C ATOM 1647 OG SER A 110 -1.694 -13.093 -18.223 1.00 54.15 O ATOM 0 H SER A 110 0.920 -11.138 -16.124 1.00 13.52 H new ATOM 0 HA SER A 110 -0.873 -13.303 -15.584 1.00 33.11 H new ATOM 0 HB2 SER A 110 -1.552 -11.431 -17.015 1.00 21.53 H new ATOM 0 HB3 SER A 110 -0.192 -11.690 -18.089 1.00 21.53 H new ATOM 0 HG SER A 110 -2.157 -12.594 -18.928 1.00 54.15 H new ATOM 1653 N ARG A 111 1.890 -14.051 -17.063 1.00 71.12 N ATOM 1654 CA ARG A 111 2.666 -15.151 -17.652 1.00 0.31 C ATOM 1655 C ARG A 111 4.136 -15.129 -17.203 1.00 1.32 C ATOM 1656 O ARG A 111 4.647 -14.104 -16.749 1.00 22.44 O ATOM 1657 CB ARG A 111 2.585 -15.114 -19.191 1.00 60.42 C ATOM 1658 CG ARG A 111 3.230 -13.888 -19.844 1.00 72.10 C ATOM 1659 CD ARG A 111 2.423 -12.609 -19.632 1.00 14.43 C ATOM 1660 NE ARG A 111 1.047 -12.729 -20.123 1.00 12.32 N ATOM 1661 CZ ARG A 111 0.440 -11.824 -20.851 1.00 72.05 C ATOM 1662 NH1 ARG A 111 1.065 -10.761 -21.249 1.00 32.13 N ATOM 1663 NH2 ARG A 111 -0.794 -12.000 -21.194 1.00 11.13 N ATOM 0 H ARG A 111 2.442 -13.235 -16.797 1.00 71.12 H new ATOM 0 HA ARG A 111 2.223 -16.079 -17.292 1.00 0.31 H new ATOM 0 HB2 ARG A 111 3.062 -16.011 -19.587 1.00 60.42 H new ATOM 0 HB3 ARG A 111 1.536 -15.154 -19.486 1.00 60.42 H new ATOM 0 HG2 ARG A 111 4.232 -13.751 -19.438 1.00 72.10 H new ATOM 0 HG3 ARG A 111 3.342 -14.068 -20.913 1.00 72.10 H new ATOM 0 HD2 ARG A 111 2.407 -12.365 -18.570 1.00 14.43 H new ATOM 0 HD3 ARG A 111 2.917 -11.782 -20.142 1.00 14.43 H new ATOM 0 HE ARG A 111 0.527 -13.573 -19.882 1.00 12.32 H new ATOM 0 HH11 ARG A 111 2.043 -10.620 -20.996 1.00 32.13 H new ATOM 0 HH12 ARG A 111 0.579 -10.066 -21.815 1.00 32.13 H new ATOM 0 HH21 ARG A 111 -1.291 -12.840 -20.898 1.00 11.13 H new ATOM 0 HH22 ARG A 111 -1.271 -11.299 -21.761 1.00 11.13 H new ATOM 1677 N THR A 112 4.805 -16.273 -17.347 1.00 42.50 N ATOM 1678 CA THR A 112 6.216 -16.420 -16.955 1.00 22.14 C ATOM 1679 C THR A 112 7.161 -16.299 -18.163 1.00 70.11 C ATOM 1680 O THR A 112 6.871 -16.804 -19.251 1.00 40.34 O ATOM 1681 CB THR A 112 6.471 -17.769 -16.235 1.00 52.00 C ATOM 1682 OG1 THR A 112 7.875 -17.961 -15.997 1.00 70.11 O ATOM 1683 CG2 THR A 112 5.922 -18.946 -17.042 1.00 20.04 C ATOM 0 H THR A 112 4.392 -17.121 -17.735 1.00 42.50 H new ATOM 0 HA THR A 112 6.428 -15.605 -16.263 1.00 22.14 H new ATOM 0 HB THR A 112 5.947 -17.731 -15.280 1.00 52.00 H new ATOM 0 HG1 THR A 112 8.114 -17.582 -15.125 1.00 70.11 H new ATOM 0 HG21 THR A 112 6.118 -19.876 -16.508 1.00 20.04 H new ATOM 0 HG22 THR A 112 4.847 -18.825 -17.177 1.00 20.04 H new ATOM 0 HG23 THR A 112 6.409 -18.978 -18.017 1.00 20.04 H new ATOM 1691 N PRO A 113 8.317 -15.630 -17.979 1.00 51.35 N ATOM 1692 CA PRO A 113 9.262 -15.354 -19.069 1.00 60.13 C ATOM 1693 C PRO A 113 10.198 -16.537 -19.391 1.00 42.45 C ATOM 1694 O PRO A 113 10.925 -17.030 -18.523 1.00 75.25 O ATOM 1695 CB PRO A 113 10.052 -14.159 -18.525 1.00 13.03 C ATOM 1696 CG PRO A 113 10.067 -14.357 -17.042 1.00 14.12 C ATOM 1697 CD PRO A 113 8.798 -15.102 -16.688 1.00 64.23 C ATOM 0 HA PRO A 113 8.752 -15.168 -20.014 1.00 60.13 H new ATOM 0 HB2 PRO A 113 11.063 -14.135 -18.931 1.00 13.03 H new ATOM 0 HB3 PRO A 113 9.578 -13.215 -18.794 1.00 13.03 H new ATOM 0 HG2 PRO A 113 10.946 -14.924 -16.736 1.00 14.12 H new ATOM 0 HG3 PRO A 113 10.110 -13.399 -16.524 1.00 14.12 H new ATOM 0 HD2 PRO A 113 8.993 -15.905 -15.977 1.00 64.23 H new ATOM 0 HD3 PRO A 113 8.063 -14.441 -16.229 1.00 64.23 H new ATOM 1705 N ALA A 114 10.156 -16.990 -20.645 1.00 30.43 N ATOM 1706 CA ALA A 114 11.033 -18.065 -21.131 1.00 14.30 C ATOM 1707 C ALA A 114 11.040 -18.117 -22.668 1.00 24.35 C ATOM 1708 O ALA A 114 9.983 -18.100 -23.304 1.00 61.31 O ATOM 1709 CB ALA A 114 10.596 -19.411 -20.555 1.00 42.33 C ATOM 0 H ALA A 114 9.517 -16.626 -21.352 1.00 30.43 H new ATOM 0 HA ALA A 114 12.048 -17.853 -20.794 1.00 14.30 H new ATOM 0 HB1 ALA A 114 11.255 -20.196 -20.925 1.00 42.33 H new ATOM 0 HB2 ALA A 114 10.648 -19.375 -19.467 1.00 42.33 H new ATOM 0 HB3 ALA A 114 9.572 -19.623 -20.862 1.00 42.33 H new ATOM 1715 N GLY A 115 12.233 -18.170 -23.265 1.00 74.40 N ATOM 1716 CA GLY A 115 12.343 -18.229 -24.724 1.00 72.20 C ATOM 1717 C GLY A 115 13.740 -17.883 -25.244 1.00 3.31 C ATOM 1718 O GLY A 115 14.221 -16.766 -25.055 1.00 73.21 O ATOM 0 H GLY A 115 13.124 -18.173 -22.769 1.00 74.40 H new ATOM 0 HA2 GLY A 115 12.076 -19.231 -25.061 1.00 72.20 H new ATOM 0 HA3 GLY A 115 11.620 -17.542 -25.163 1.00 72.20 H new ATOM 1722 N ALA A 116 14.387 -18.845 -25.907 1.00 3.02 N ATOM 1723 CA ALA A 116 15.729 -18.636 -26.470 1.00 34.12 C ATOM 1724 C ALA A 116 16.080 -19.708 -27.517 1.00 65.24 C ATOM 1725 O ALA A 116 15.613 -20.849 -27.439 1.00 13.32 O ATOM 1726 CB ALA A 116 16.776 -18.627 -25.360 1.00 31.33 C ATOM 0 H ALA A 116 14.006 -19.777 -26.069 1.00 3.02 H new ATOM 0 HA ALA A 116 15.727 -17.668 -26.970 1.00 34.12 H new ATOM 0 HB1 ALA A 116 17.764 -18.471 -25.793 1.00 31.33 H new ATOM 0 HB2 ALA A 116 16.556 -17.822 -24.659 1.00 31.33 H new ATOM 0 HB3 ALA A 116 16.757 -19.581 -24.834 1.00 31.33 H new ATOM 1732 N ASP A 117 16.901 -19.331 -28.496 1.00 65.14 N ATOM 1733 CA ASP A 117 17.399 -20.269 -29.510 1.00 62.32 C ATOM 1734 C ASP A 117 18.803 -19.856 -29.992 1.00 5.44 C ATOM 1735 O ASP A 117 19.112 -18.663 -30.086 1.00 4.43 O ATOM 1736 CB ASP A 117 16.424 -20.347 -30.697 1.00 14.23 C ATOM 1737 CG ASP A 117 16.245 -19.015 -31.407 1.00 43.42 C ATOM 1738 OD1 ASP A 117 15.434 -18.188 -30.940 1.00 2.31 O ATOM 1739 OD2 ASP A 117 16.916 -18.787 -32.436 1.00 23.34 O ATOM 0 H ASP A 117 17.239 -18.376 -28.612 1.00 65.14 H new ATOM 0 HA ASP A 117 17.470 -21.257 -29.055 1.00 62.32 H new ATOM 0 HB2 ASP A 117 16.787 -21.087 -31.410 1.00 14.23 H new ATOM 0 HB3 ASP A 117 15.455 -20.696 -30.341 1.00 14.23 H new ATOM 1744 N ASP A 118 19.656 -20.839 -30.291 1.00 73.40 N ATOM 1745 CA ASP A 118 21.029 -20.554 -30.733 1.00 50.32 C ATOM 1746 C ASP A 118 21.510 -21.522 -31.829 1.00 63.32 C ATOM 1747 O ASP A 118 21.363 -22.741 -31.710 1.00 23.34 O ATOM 1748 CB ASP A 118 21.996 -20.604 -29.537 1.00 22.43 C ATOM 1749 CG ASP A 118 22.071 -21.980 -28.886 1.00 44.11 C ATOM 1750 OD1 ASP A 118 21.041 -22.463 -28.369 1.00 74.03 O ATOM 1751 OD2 ASP A 118 23.168 -22.582 -28.880 1.00 4.33 O ATOM 0 H ASP A 118 19.426 -21.831 -30.237 1.00 73.40 H new ATOM 0 HA ASP A 118 21.021 -19.552 -31.162 1.00 50.32 H new ATOM 0 HB2 ASP A 118 22.992 -20.311 -29.870 1.00 22.43 H new ATOM 0 HB3 ASP A 118 21.681 -19.873 -28.792 1.00 22.43 H new ATOM 1756 N TYR A 119 22.068 -20.959 -32.904 1.00 61.12 N ATOM 1757 CA TYR A 119 22.746 -21.745 -33.936 1.00 1.41 C ATOM 1758 C TYR A 119 23.526 -20.843 -34.912 1.00 45.34 C ATOM 1759 O TYR A 119 23.015 -20.442 -35.960 1.00 53.24 O ATOM 1760 CB TYR A 119 21.759 -22.628 -34.710 1.00 53.11 C ATOM 1761 CG TYR A 119 22.437 -23.517 -35.735 1.00 44.43 C ATOM 1762 CD1 TYR A 119 23.239 -24.578 -35.333 1.00 72.42 C ATOM 1763 CD2 TYR A 119 22.286 -23.288 -37.098 1.00 30.50 C ATOM 1764 CE1 TYR A 119 23.870 -25.388 -36.258 1.00 35.05 C ATOM 1765 CE2 TYR A 119 22.912 -24.096 -38.031 1.00 61.22 C ATOM 1766 CZ TYR A 119 23.705 -25.145 -37.603 1.00 61.43 C ATOM 1767 OH TYR A 119 24.334 -25.955 -38.526 1.00 13.44 O ATOM 0 H TYR A 119 22.063 -19.955 -33.082 1.00 61.12 H new ATOM 0 HA TYR A 119 23.457 -22.393 -33.423 1.00 1.41 H new ATOM 0 HB2 TYR A 119 21.207 -23.250 -34.006 1.00 53.11 H new ATOM 0 HB3 TYR A 119 21.030 -21.993 -35.213 1.00 53.11 H new ATOM 0 HD1 TYR A 119 23.372 -24.773 -34.279 1.00 72.42 H new ATOM 0 HD2 TYR A 119 21.670 -22.467 -37.434 1.00 30.50 H new ATOM 0 HE1 TYR A 119 24.490 -26.208 -35.927 1.00 35.05 H new ATOM 0 HE2 TYR A 119 22.782 -23.909 -39.087 1.00 61.22 H new ATOM 0 HH TYR A 119 24.115 -25.651 -39.431 1.00 13.44 H new ATOM 1777 N ASN A 120 24.757 -20.504 -34.546 1.00 23.14 N ATOM 1778 CA ASN A 120 25.662 -19.768 -35.436 1.00 22.32 C ATOM 1779 C ASN A 120 26.923 -20.608 -35.694 1.00 65.35 C ATOM 1780 O ASN A 120 28.010 -20.304 -35.199 1.00 34.40 O ATOM 1781 CB ASN A 120 26.029 -18.406 -34.823 1.00 50.30 C ATOM 1782 CG ASN A 120 26.733 -17.476 -35.803 1.00 11.42 C ATOM 1783 OD1 ASN A 120 27.386 -17.913 -36.744 1.00 14.53 O ATOM 1784 ND2 ASN A 120 26.610 -16.183 -35.585 1.00 61.14 N ATOM 0 H ASN A 120 25.157 -20.726 -33.635 1.00 23.14 H new ATOM 0 HA ASN A 120 25.160 -19.584 -36.386 1.00 22.32 H new ATOM 0 HB2 ASN A 120 25.122 -17.922 -34.461 1.00 50.30 H new ATOM 0 HB3 ASN A 120 26.673 -18.566 -33.958 1.00 50.30 H new ATOM 0 HD21 ASN A 120 27.065 -15.515 -36.208 1.00 61.14 H new ATOM 0 HD22 ASN A 120 26.060 -15.849 -34.794 1.00 61.14 H new ATOM 1791 N VAL A 121 26.755 -21.689 -36.450 1.00 64.43 N ATOM 1792 CA VAL A 121 27.841 -22.645 -36.694 1.00 51.34 C ATOM 1793 C VAL A 121 28.174 -22.750 -38.189 1.00 2.33 C ATOM 1794 O VAL A 121 27.351 -23.201 -38.993 1.00 24.13 O ATOM 1795 CB VAL A 121 27.469 -24.051 -36.154 1.00 44.14 C ATOM 1796 CG1 VAL A 121 28.644 -25.023 -36.290 1.00 20.02 C ATOM 1797 CG2 VAL A 121 26.993 -23.965 -34.701 1.00 53.04 C ATOM 0 H VAL A 121 25.876 -21.929 -36.908 1.00 64.43 H new ATOM 0 HA VAL A 121 28.719 -22.273 -36.165 1.00 51.34 H new ATOM 0 HB VAL A 121 26.648 -24.437 -36.758 1.00 44.14 H new ATOM 0 HG11 VAL A 121 28.354 -26.000 -35.904 1.00 20.02 H new ATOM 0 HG12 VAL A 121 28.920 -25.115 -37.340 1.00 20.02 H new ATOM 0 HG13 VAL A 121 29.495 -24.646 -35.723 1.00 20.02 H new ATOM 0 HG21 VAL A 121 26.737 -24.962 -34.342 1.00 53.04 H new ATOM 0 HG22 VAL A 121 27.788 -23.549 -34.082 1.00 53.04 H new ATOM 0 HG23 VAL A 121 26.115 -23.322 -34.643 1.00 53.04 H new ATOM 1807 N VAL A 122 29.382 -22.331 -38.557 1.00 74.24 N ATOM 1808 CA VAL A 122 29.839 -22.389 -39.949 1.00 43.24 C ATOM 1809 C VAL A 122 30.638 -23.675 -40.215 1.00 12.54 C ATOM 1810 O VAL A 122 31.555 -24.010 -39.467 1.00 4.24 O ATOM 1811 CB VAL A 122 30.712 -21.159 -40.303 1.00 41.45 C ATOM 1812 CG1 VAL A 122 31.157 -21.210 -41.765 1.00 71.12 C ATOM 1813 CG2 VAL A 122 29.962 -19.861 -40.004 1.00 74.52 C ATOM 0 H VAL A 122 30.068 -21.945 -37.909 1.00 74.24 H new ATOM 0 HA VAL A 122 28.950 -22.385 -40.580 1.00 43.24 H new ATOM 0 HB VAL A 122 31.606 -21.185 -39.680 1.00 41.45 H new ATOM 0 HG11 VAL A 122 31.769 -20.336 -41.990 1.00 71.12 H new ATOM 0 HG12 VAL A 122 31.740 -22.115 -41.936 1.00 71.12 H new ATOM 0 HG13 VAL A 122 30.280 -21.215 -42.412 1.00 71.12 H new ATOM 0 HG21 VAL A 122 30.592 -19.009 -40.260 1.00 74.52 H new ATOM 0 HG22 VAL A 122 29.047 -19.825 -40.595 1.00 74.52 H new ATOM 0 HG23 VAL A 122 29.711 -19.822 -38.944 1.00 74.52 H new ATOM 1823 N SER A 123 30.293 -24.392 -41.281 1.00 64.22 N ATOM 1824 CA SER A 123 30.978 -25.650 -41.616 1.00 24.31 C ATOM 1825 C SER A 123 30.969 -25.919 -43.128 1.00 55.42 C ATOM 1826 O SER A 123 29.918 -26.190 -43.712 1.00 64.21 O ATOM 1827 CB SER A 123 30.324 -26.830 -40.878 1.00 63.44 C ATOM 1828 OG SER A 123 30.960 -28.060 -41.200 1.00 13.33 O ATOM 0 H SER A 123 29.549 -24.131 -41.928 1.00 64.22 H new ATOM 0 HA SER A 123 32.015 -25.549 -41.296 1.00 24.31 H new ATOM 0 HB2 SER A 123 30.376 -26.662 -39.802 1.00 63.44 H new ATOM 0 HB3 SER A 123 29.268 -26.885 -41.141 1.00 63.44 H new ATOM 0 HG SER A 123 30.523 -28.791 -40.715 1.00 13.33 H new ATOM 1834 N ARG A 124 32.139 -25.835 -43.763 1.00 24.31 N ATOM 1835 CA ARG A 124 32.275 -26.146 -45.192 1.00 73.12 C ATOM 1836 C ARG A 124 33.428 -27.141 -45.426 1.00 51.45 C ATOM 1837 O ARG A 124 34.498 -27.022 -44.821 1.00 14.11 O ATOM 1838 CB ARG A 124 32.505 -24.860 -46.009 1.00 11.42 C ATOM 1839 CG ARG A 124 33.874 -24.218 -45.798 1.00 12.43 C ATOM 1840 CD ARG A 124 34.056 -22.967 -46.654 1.00 75.11 C ATOM 1841 NE ARG A 124 35.450 -22.517 -46.678 1.00 33.30 N ATOM 1842 CZ ARG A 124 35.825 -21.268 -46.627 1.00 34.10 C ATOM 1843 NH1 ARG A 124 34.953 -20.320 -46.506 1.00 13.42 N ATOM 1844 NH2 ARG A 124 37.080 -20.973 -46.693 1.00 13.11 N ATOM 0 H ARG A 124 33.009 -25.554 -43.312 1.00 24.31 H new ATOM 0 HA ARG A 124 31.347 -26.608 -45.527 1.00 73.12 H new ATOM 0 HB2 ARG A 124 32.384 -25.089 -47.068 1.00 11.42 H new ATOM 0 HB3 ARG A 124 31.733 -24.136 -45.749 1.00 11.42 H new ATOM 0 HG2 ARG A 124 33.995 -23.959 -44.746 1.00 12.43 H new ATOM 0 HG3 ARG A 124 34.654 -24.940 -46.040 1.00 12.43 H new ATOM 0 HD2 ARG A 124 33.724 -23.172 -47.672 1.00 75.11 H new ATOM 0 HD3 ARG A 124 33.424 -22.168 -46.267 1.00 75.11 H new ATOM 0 HE ARG A 124 36.178 -23.229 -46.739 1.00 33.30 H new ATOM 0 HH11 ARG A 124 33.960 -20.545 -46.449 1.00 13.42 H new ATOM 0 HH12 ARG A 124 35.259 -19.348 -46.467 1.00 13.42 H new ATOM 0 HH21 ARG A 124 37.774 -21.715 -46.785 1.00 13.11 H new ATOM 0 HH22 ARG A 124 37.378 -19.998 -46.654 1.00 13.11 H new ATOM 1858 N LEU A 125 33.200 -28.128 -46.291 1.00 60.00 N ATOM 1859 CA LEU A 125 34.205 -29.164 -46.576 1.00 52.00 C ATOM 1860 C LEU A 125 34.491 -29.271 -48.085 1.00 23.34 C ATOM 1861 O LEU A 125 33.640 -29.720 -48.858 1.00 21.42 O ATOM 1862 CB LEU A 125 33.728 -30.521 -46.029 1.00 25.42 C ATOM 1863 CG LEU A 125 33.479 -30.567 -44.509 1.00 51.22 C ATOM 1864 CD1 LEU A 125 32.898 -31.917 -44.100 1.00 1.11 C ATOM 1865 CD2 LEU A 125 34.768 -30.279 -43.739 1.00 72.41 C ATOM 0 H LEU A 125 32.329 -28.237 -46.810 1.00 60.00 H new ATOM 0 HA LEU A 125 35.133 -28.880 -46.080 1.00 52.00 H new ATOM 0 HB2 LEU A 125 32.806 -30.796 -46.540 1.00 25.42 H new ATOM 0 HB3 LEU A 125 34.471 -31.278 -46.282 1.00 25.42 H new ATOM 0 HG LEU A 125 32.754 -29.792 -44.260 1.00 51.22 H new ATOM 0 HD11 LEU A 125 32.729 -31.929 -43.023 1.00 1.11 H new ATOM 0 HD12 LEU A 125 31.952 -32.078 -44.617 1.00 1.11 H new ATOM 0 HD13 LEU A 125 33.597 -32.710 -44.367 1.00 1.11 H new ATOM 0 HD21 LEU A 125 34.568 -30.317 -42.668 1.00 72.41 H new ATOM 0 HD22 LEU A 125 35.519 -31.026 -43.995 1.00 72.41 H new ATOM 0 HD23 LEU A 125 35.137 -29.288 -44.005 1.00 72.41 H new ATOM 1877 N GLU A 126 35.689 -28.851 -48.504 1.00 71.12 N ATOM 1878 CA GLU A 126 36.080 -28.921 -49.919 1.00 12.13 C ATOM 1879 C GLU A 126 37.533 -29.410 -50.097 1.00 45.33 C ATOM 1880 O GLU A 126 38.490 -28.745 -49.697 1.00 53.10 O ATOM 1881 CB GLU A 126 35.870 -27.555 -50.613 1.00 52.23 C ATOM 1882 CG GLU A 126 36.748 -26.405 -50.100 1.00 5.52 C ATOM 1883 CD GLU A 126 36.527 -26.067 -48.631 1.00 23.11 C ATOM 1884 OE1 GLU A 126 35.371 -25.819 -48.239 1.00 54.44 O ATOM 1885 OE2 GLU A 126 37.514 -26.056 -47.859 1.00 32.32 O ATOM 0 H GLU A 126 36.403 -28.461 -47.889 1.00 71.12 H new ATOM 0 HA GLU A 126 35.433 -29.657 -50.397 1.00 12.13 H new ATOM 0 HB2 GLU A 126 36.053 -27.679 -51.680 1.00 52.23 H new ATOM 0 HB3 GLU A 126 34.825 -27.268 -50.500 1.00 52.23 H new ATOM 0 HG2 GLU A 126 37.796 -26.667 -50.249 1.00 5.52 H new ATOM 0 HG3 GLU A 126 36.553 -25.516 -50.700 1.00 5.52 H new ATOM 1892 N HIS A 127 37.689 -30.607 -50.666 1.00 11.53 N ATOM 1893 CA HIS A 127 39.013 -31.160 -50.994 1.00 60.42 C ATOM 1894 C HIS A 127 38.995 -31.796 -52.395 1.00 35.53 C ATOM 1895 O HIS A 127 38.321 -32.803 -52.615 1.00 34.31 O ATOM 1896 CB HIS A 127 39.433 -32.214 -49.957 1.00 51.31 C ATOM 1897 CG HIS A 127 39.459 -31.714 -48.542 1.00 62.33 C ATOM 1898 ND1 HIS A 127 40.605 -31.278 -47.914 1.00 3.41 N ATOM 1899 CD2 HIS A 127 38.470 -31.599 -47.621 1.00 62.21 C ATOM 1900 CE1 HIS A 127 40.324 -30.920 -46.679 1.00 45.43 C ATOM 1901 NE2 HIS A 127 39.035 -31.105 -46.471 1.00 12.25 N ATOM 0 H HIS A 127 36.911 -31.219 -50.912 1.00 11.53 H new ATOM 0 HA HIS A 127 39.734 -30.343 -50.979 1.00 60.42 H new ATOM 0 HB2 HIS A 127 38.748 -33.060 -50.018 1.00 51.31 H new ATOM 0 HB3 HIS A 127 40.424 -32.587 -50.216 1.00 51.31 H new ATOM 0 HD2 HIS A 127 37.430 -31.850 -47.765 1.00 62.21 H new ATOM 0 HE1 HIS A 127 41.031 -30.539 -45.957 1.00 45.43 H new ATOM 0 HE2 HIS A 127 38.540 -30.913 -45.600 1.00 12.25 H new ATOM 1910 N HIS A 128 39.725 -31.208 -53.341 1.00 21.25 N ATOM 1911 CA HIS A 128 39.744 -31.707 -54.721 1.00 24.24 C ATOM 1912 C HIS A 128 41.140 -31.552 -55.346 1.00 34.34 C ATOM 1913 O HIS A 128 41.533 -30.456 -55.747 1.00 43.24 O ATOM 1914 CB HIS A 128 38.700 -30.951 -55.561 1.00 62.04 C ATOM 1915 CG HIS A 128 38.446 -31.536 -56.923 1.00 25.25 C ATOM 1916 ND1 HIS A 128 37.289 -32.212 -57.245 1.00 32.22 N ATOM 1917 CD2 HIS A 128 39.191 -31.521 -58.058 1.00 64.12 C ATOM 1918 CE1 HIS A 128 37.331 -32.585 -58.508 1.00 65.35 C ATOM 1919 NE2 HIS A 128 38.471 -32.179 -59.024 1.00 13.12 N ATOM 0 H HIS A 128 40.310 -30.388 -53.181 1.00 21.25 H new ATOM 0 HA HIS A 128 39.497 -32.769 -54.707 1.00 24.24 H new ATOM 0 HB2 HIS A 128 37.760 -30.926 -55.010 1.00 62.04 H new ATOM 0 HB3 HIS A 128 39.028 -29.918 -55.680 1.00 62.04 H new ATOM 0 HD2 HIS A 128 40.167 -31.075 -58.178 1.00 64.12 H new ATOM 0 HE1 HIS A 128 36.560 -33.131 -59.031 1.00 65.35 H new ATOM 0 HE2 HIS A 128 38.772 -32.329 -59.987 1.00 13.12 H new ATOM 1928 N HIS A 129 41.888 -32.650 -55.416 1.00 62.34 N ATOM 1929 CA HIS A 129 43.223 -32.643 -56.025 1.00 30.25 C ATOM 1930 C HIS A 129 43.375 -33.794 -57.029 1.00 40.51 C ATOM 1931 O HIS A 129 43.222 -34.964 -56.673 1.00 24.40 O ATOM 1932 CB HIS A 129 44.301 -32.753 -54.938 1.00 24.14 C ATOM 1933 CG HIS A 129 45.703 -32.652 -55.465 1.00 12.25 C ATOM 1934 ND1 HIS A 129 46.412 -33.735 -55.947 1.00 74.24 N ATOM 1935 CD2 HIS A 129 46.534 -31.587 -55.580 1.00 50.04 C ATOM 1936 CE1 HIS A 129 47.610 -33.345 -56.329 1.00 71.22 C ATOM 1937 NE2 HIS A 129 47.708 -32.049 -56.120 1.00 1.12 N ATOM 0 H HIS A 129 41.595 -33.559 -55.059 1.00 62.34 H new ATOM 0 HA HIS A 129 43.347 -31.701 -56.560 1.00 30.25 H new ATOM 0 HB2 HIS A 129 44.142 -31.966 -54.200 1.00 24.14 H new ATOM 0 HB3 HIS A 129 44.185 -33.705 -54.419 1.00 24.14 H new ATOM 0 HD2 HIS A 129 46.314 -30.568 -55.300 1.00 50.04 H new ATOM 0 HE1 HIS A 129 48.380 -33.979 -56.743 1.00 71.22 H new ATOM 0 HE2 HIS A 129 48.528 -31.478 -56.327 1.00 1.12 H new ATOM 1946 N HIS A 130 43.685 -33.459 -58.281 1.00 13.44 N ATOM 1947 CA HIS A 130 43.843 -34.465 -59.339 1.00 15.54 C ATOM 1948 C HIS A 130 44.626 -33.905 -60.539 1.00 71.23 C ATOM 1949 O HIS A 130 44.604 -32.704 -60.799 1.00 13.23 O ATOM 1950 CB HIS A 130 42.462 -34.964 -59.798 1.00 63.23 C ATOM 1951 CG HIS A 130 42.524 -36.113 -60.754 1.00 3.11 C ATOM 1952 ND1 HIS A 130 42.918 -37.376 -60.379 1.00 42.25 N ATOM 1953 CD2 HIS A 130 42.249 -36.189 -62.079 1.00 72.21 C ATOM 1954 CE1 HIS A 130 42.888 -38.176 -61.421 1.00 14.11 C ATOM 1955 NE2 HIS A 130 42.486 -37.484 -62.463 1.00 63.32 N ATOM 0 H HIS A 130 43.833 -32.498 -58.591 1.00 13.44 H new ATOM 0 HA HIS A 130 44.413 -35.298 -58.928 1.00 15.54 H new ATOM 0 HB2 HIS A 130 41.884 -35.262 -58.923 1.00 63.23 H new ATOM 0 HB3 HIS A 130 41.926 -34.140 -60.269 1.00 63.23 H new ATOM 0 HD2 HIS A 130 41.908 -35.383 -62.712 1.00 72.21 H new ATOM 0 HE1 HIS A 130 43.149 -39.224 -61.421 1.00 14.11 H new ATOM 0 HE2 HIS A 130 42.369 -37.851 -63.407 1.00 63.32 H new ATOM 1964 N HIS A 131 45.330 -34.779 -61.258 1.00 10.12 N ATOM 1965 CA HIS A 131 46.035 -34.391 -62.489 1.00 61.53 C ATOM 1966 C HIS A 131 45.596 -35.262 -63.677 1.00 2.54 C ATOM 1967 O HIS A 131 45.169 -36.404 -63.496 1.00 24.11 O ATOM 1968 CB HIS A 131 47.554 -34.485 -62.295 1.00 22.24 C ATOM 1969 CG HIS A 131 48.108 -33.463 -61.346 1.00 2.24 C ATOM 1970 ND1 HIS A 131 48.829 -33.794 -60.219 1.00 3.14 N ATOM 1971 CD2 HIS A 131 48.055 -32.108 -61.367 1.00 23.04 C ATOM 1972 CE1 HIS A 131 49.190 -32.695 -59.590 1.00 42.44 C ATOM 1973 NE2 HIS A 131 48.737 -31.660 -60.263 1.00 13.41 N ATOM 0 H HIS A 131 45.430 -35.764 -61.012 1.00 10.12 H new ATOM 0 HA HIS A 131 45.774 -33.356 -62.710 1.00 61.53 H new ATOM 0 HB2 HIS A 131 47.803 -35.481 -61.928 1.00 22.24 H new ATOM 0 HB3 HIS A 131 48.042 -34.371 -63.263 1.00 22.24 H new ATOM 0 HD2 HIS A 131 47.568 -31.496 -62.112 1.00 23.04 H new ATOM 0 HE1 HIS A 131 49.762 -32.651 -58.675 1.00 42.44 H new ATOM 0 HE2 HIS A 131 48.871 -30.682 -60.006 1.00 13.41 H new ATOM 1982 N HIS A 132 45.692 -34.716 -64.888 1.00 3.10 N ATOM 1983 CA HIS A 132 45.288 -35.440 -66.102 1.00 71.41 C ATOM 1984 C HIS A 132 46.178 -36.662 -66.365 1.00 13.42 C ATOM 1985 O HIS A 132 47.392 -36.544 -66.551 1.00 42.13 O ATOM 1986 CB HIS A 132 45.294 -34.503 -67.322 1.00 11.40 C ATOM 1987 CG HIS A 132 46.624 -33.868 -67.618 1.00 13.22 C ATOM 1988 ND1 HIS A 132 47.632 -34.506 -68.313 1.00 5.03 N ATOM 1989 CD2 HIS A 132 47.104 -32.635 -67.323 1.00 21.43 C ATOM 1990 CE1 HIS A 132 48.666 -33.696 -68.432 1.00 14.43 C ATOM 1991 NE2 HIS A 132 48.373 -32.557 -67.841 1.00 23.32 N ATOM 0 H HIS A 132 46.046 -33.775 -65.059 1.00 3.10 H new ATOM 0 HA HIS A 132 44.273 -35.801 -65.938 1.00 71.41 H new ATOM 0 HB2 HIS A 132 44.973 -35.067 -68.198 1.00 11.40 H new ATOM 0 HB3 HIS A 132 44.558 -33.715 -67.162 1.00 11.40 H new ATOM 0 HD2 HIS A 132 46.585 -31.858 -66.781 1.00 21.43 H new ATOM 0 HE1 HIS A 132 49.596 -33.928 -68.930 1.00 14.43 H new ATOM 0 HE2 HIS A 132 48.990 -31.747 -67.778 1.00 23.32 H new TER 2000 HIS A 132