USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1076 hydrogens (28 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 59 GLN : amide:sc= -1.34 X(o=-1.9,f=-1.6!) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.556 X(o=-1.9,f=-1.7) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= -0.0114 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.334 X(o=-0.35,f=-0.51) USER MOD Set 3.1: A 29 TYR OH : rot 154:sc= -0.185! USER MOD Set 3.2: A 97 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 6 SER OG : rot 180:sc= -0.352 USER MOD Single : A 9 SER OG : rot 180:sc= -0.989 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.89) USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= -0.115 (180deg=-0.508) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.248 (180deg=0.0101) USER MOD Single : A 33 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.491 USER MOD Single : A 47 ASN : amide:sc= 0.0289 K(o=0.029,f=-0.56) USER MOD Single : A 53 THR OG1 : rot 92:sc= -0.0113 USER MOD Single : A 57 CYS SG : rot -150:sc= -2.44! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 114:sc= 0.429 USER MOD Single : A 77 SER OG : rot -146:sc= 0.23 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.712 K(o=-0.71,f=0) USER MOD Single : A 81 THR OG1 : rot 80:sc= -0.425 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 170:sc= -0.317 USER MOD Single : A 89 HIS : no HE2:sc= -0.76 K(o=-0.69,f=-2.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -175:sc= 1.11 (180deg=1.09) USER MOD Single : A 108 GLN : amide:sc=-0.00282 K(o=-0.0028,f=-0.65) USER MOD Single : A 109 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -170:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -69:sc= 0.772 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.00072) USER MOD Single : A 125 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.58) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.54) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.0666 K(o=-0.067,f=-1.6!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -147:sc= 0.0557 USER MOD Single : A 300 PBU O3 : rot 180:sc= -0.216 USER MOD Single : A 300 PBU O6 : rot 164:sc= 0.0103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 6.151 12.509 -7.615 1.00 13.00 N ATOM 2 CA GLY A 2 6.887 12.499 -6.366 1.00 45.03 C ATOM 3 C GLY A 2 6.163 11.740 -5.272 1.00 64.15 C ATOM 4 O GLY A 2 6.768 11.352 -4.272 1.00 15.21 O ATOM 0 HA2 GLY A 2 7.866 12.049 -6.529 1.00 45.03 H new ATOM 0 HA3 GLY A 2 7.058 13.525 -6.040 1.00 45.03 H new ATOM 8 N ALA A 3 4.865 11.529 -5.459 1.00 33.14 N ATOM 9 CA ALA A 3 4.059 10.811 -4.481 1.00 55.24 C ATOM 10 C ALA A 3 4.351 9.314 -4.518 1.00 62.51 C ATOM 11 O ALA A 3 4.381 8.705 -5.587 1.00 2.04 O ATOM 12 CB ALA A 3 2.579 11.067 -4.727 1.00 51.42 C ATOM 0 H ALA A 3 4.349 11.846 -6.280 1.00 33.14 H new ATOM 0 HA ALA A 3 4.322 11.181 -3.490 1.00 55.24 H new ATOM 0 HB1 ALA A 3 1.988 10.524 -3.989 1.00 51.42 H new ATOM 0 HB2 ALA A 3 2.375 12.134 -4.641 1.00 51.42 H new ATOM 0 HB3 ALA A 3 2.312 10.726 -5.727 1.00 51.42 H new ATOM 18 N ARG A 4 4.569 8.729 -3.345 1.00 32.51 N ATOM 19 CA ARG A 4 4.862 7.305 -3.244 1.00 23.02 C ATOM 20 C ARG A 4 3.945 6.631 -2.228 1.00 30.11 C ATOM 21 O ARG A 4 3.352 5.589 -2.507 1.00 23.42 O ATOM 22 CB ARG A 4 6.324 7.090 -2.849 1.00 63.24 C ATOM 23 CG ARG A 4 7.315 7.686 -3.834 1.00 24.35 C ATOM 24 CD ARG A 4 8.291 8.626 -3.144 1.00 43.45 C ATOM 25 NE ARG A 4 9.198 7.912 -2.247 1.00 35.31 N ATOM 26 CZ ARG A 4 10.114 8.513 -1.497 1.00 23.31 C ATOM 27 NH1 ARG A 4 10.245 9.833 -1.535 1.00 53.41 N ATOM 28 NH2 ARG A 4 10.902 7.795 -0.707 1.00 74.34 N ATOM 0 H ARG A 4 4.548 9.220 -2.451 1.00 32.51 H new ATOM 0 HA ARG A 4 4.686 6.854 -4.221 1.00 23.02 H new ATOM 0 HB2 ARG A 4 6.494 7.528 -1.866 1.00 63.24 H new ATOM 0 HB3 ARG A 4 6.513 6.020 -2.758 1.00 63.24 H new ATOM 0 HG2 ARG A 4 7.866 6.885 -4.326 1.00 24.35 H new ATOM 0 HG3 ARG A 4 6.776 8.227 -4.612 1.00 24.35 H new ATOM 0 HD2 ARG A 4 8.871 9.161 -3.895 1.00 43.45 H new ATOM 0 HD3 ARG A 4 7.735 9.374 -2.578 1.00 43.45 H new ATOM 0 HE ARG A 4 9.123 6.896 -2.194 1.00 35.31 H new ATOM 0 HH11 ARG A 4 9.641 10.388 -2.141 1.00 53.41 H new ATOM 0 HH12 ARG A 4 10.949 10.292 -0.958 1.00 53.41 H new ATOM 0 HH21 ARG A 4 10.804 6.780 -0.675 1.00 74.34 H new ATOM 0 HH22 ARG A 4 11.605 8.258 -0.131 1.00 74.34 H new ATOM 42 N ALA A 5 3.833 7.233 -1.049 1.00 21.42 N ATOM 43 CA ALA A 5 2.987 6.694 0.008 1.00 5.42 C ATOM 44 C ALA A 5 2.130 7.786 0.638 1.00 71.32 C ATOM 45 O ALA A 5 2.473 8.967 0.581 1.00 50.04 O ATOM 46 CB ALA A 5 3.838 6.010 1.068 1.00 61.21 C ATOM 0 H ALA A 5 4.318 8.095 -0.802 1.00 21.42 H new ATOM 0 HA ALA A 5 2.318 5.957 -0.437 1.00 5.42 H new ATOM 0 HB1 ALA A 5 3.193 5.612 1.851 1.00 61.21 H new ATOM 0 HB2 ALA A 5 4.401 5.195 0.613 1.00 61.21 H new ATOM 0 HB3 ALA A 5 4.531 6.732 1.500 1.00 61.21 H new ATOM 52 N SER A 6 1.014 7.384 1.237 1.00 61.32 N ATOM 53 CA SER A 6 0.106 8.331 1.874 1.00 51.13 C ATOM 54 C SER A 6 -0.506 9.275 0.845 1.00 24.25 C ATOM 55 O SER A 6 -0.094 9.298 -0.316 1.00 1.11 O ATOM 56 CB SER A 6 0.843 9.135 2.946 1.00 62.34 C ATOM 57 OG SER A 6 2.015 8.463 3.373 1.00 22.13 O ATOM 0 H SER A 6 0.717 6.410 1.295 1.00 61.32 H new ATOM 0 HA SER A 6 -0.698 7.764 2.344 1.00 51.13 H new ATOM 0 HB2 SER A 6 1.106 10.117 2.552 1.00 62.34 H new ATOM 0 HB3 SER A 6 0.184 9.300 3.798 1.00 62.34 H new ATOM 0 HG SER A 6 2.468 8.999 4.057 1.00 22.13 H new ATOM 63 N VAL A 7 -1.492 10.054 1.276 1.00 24.41 N ATOM 64 CA VAL A 7 -2.161 11.002 0.393 1.00 22.24 C ATOM 65 C VAL A 7 -1.267 12.202 0.097 1.00 10.33 C ATOM 66 O VAL A 7 -0.958 12.489 -1.061 1.00 51.41 O ATOM 67 CB VAL A 7 -3.485 11.500 1.003 1.00 24.50 C ATOM 68 CG1 VAL A 7 -4.135 12.533 0.095 1.00 72.02 C ATOM 69 CG2 VAL A 7 -4.425 10.333 1.258 1.00 11.44 C ATOM 0 H VAL A 7 -1.846 10.047 2.233 1.00 24.41 H new ATOM 0 HA VAL A 7 -2.374 10.473 -0.536 1.00 22.24 H new ATOM 0 HB VAL A 7 -3.269 11.977 1.959 1.00 24.50 H new ATOM 0 HG11 VAL A 7 -5.069 12.874 0.542 1.00 72.02 H new ATOM 0 HG12 VAL A 7 -3.462 13.381 -0.031 1.00 72.02 H new ATOM 0 HG13 VAL A 7 -4.340 12.085 -0.877 1.00 72.02 H new ATOM 0 HG21 VAL A 7 -5.355 10.703 1.689 1.00 11.44 H new ATOM 0 HG22 VAL A 7 -4.638 9.825 0.317 1.00 11.44 H new ATOM 0 HG23 VAL A 7 -3.957 9.634 1.951 1.00 11.44 H new ATOM 79 N LEU A 8 -0.855 12.899 1.149 1.00 5.12 N ATOM 80 CA LEU A 8 0.005 14.069 1.002 1.00 52.42 C ATOM 81 C LEU A 8 1.378 13.816 1.619 1.00 33.33 C ATOM 82 O LEU A 8 1.486 13.263 2.712 1.00 41.33 O ATOM 83 CB LEU A 8 -0.644 15.288 1.658 1.00 33.43 C ATOM 84 CG LEU A 8 -1.852 15.879 0.929 1.00 24.30 C ATOM 85 CD1 LEU A 8 -2.645 16.785 1.858 1.00 20.14 C ATOM 86 CD2 LEU A 8 -1.407 16.642 -0.311 1.00 44.35 C ATOM 0 H LEU A 8 -1.102 12.675 2.113 1.00 5.12 H new ATOM 0 HA LEU A 8 0.135 14.263 -0.063 1.00 52.42 H new ATOM 0 HB2 LEU A 8 -0.953 15.012 2.666 1.00 33.43 H new ATOM 0 HB3 LEU A 8 0.112 16.067 1.758 1.00 33.43 H new ATOM 0 HG LEU A 8 -2.498 15.060 0.614 1.00 24.30 H new ATOM 0 HD11 LEU A 8 -3.500 17.196 1.322 1.00 20.14 H new ATOM 0 HD12 LEU A 8 -2.996 16.210 2.715 1.00 20.14 H new ATOM 0 HD13 LEU A 8 -2.008 17.599 2.204 1.00 20.14 H new ATOM 0 HD21 LEU A 8 -2.280 17.055 -0.817 1.00 44.35 H new ATOM 0 HD22 LEU A 8 -0.739 17.452 -0.019 1.00 44.35 H new ATOM 0 HD23 LEU A 8 -0.883 15.965 -0.986 1.00 44.35 H new ATOM 98 N SER A 9 2.424 14.228 0.909 1.00 70.02 N ATOM 99 CA SER A 9 3.790 14.046 1.385 1.00 55.23 C ATOM 100 C SER A 9 4.116 15.041 2.496 1.00 0.44 C ATOM 101 O SER A 9 3.228 15.698 3.035 1.00 75.22 O ATOM 102 CB SER A 9 4.781 14.209 0.232 1.00 2.13 C ATOM 103 OG SER A 9 5.246 15.544 0.144 1.00 1.04 O ATOM 0 H SER A 9 2.351 14.690 0.002 1.00 70.02 H new ATOM 0 HA SER A 9 3.876 13.037 1.788 1.00 55.23 H new ATOM 0 HB2 SER A 9 5.626 13.535 0.376 1.00 2.13 H new ATOM 0 HB3 SER A 9 4.303 13.925 -0.705 1.00 2.13 H new ATOM 0 HG SER A 9 5.879 15.621 -0.600 1.00 1.04 H new ATOM 109 N GLY A 10 5.399 15.146 2.830 1.00 53.52 N ATOM 110 CA GLY A 10 5.820 16.061 3.873 1.00 24.03 C ATOM 111 C GLY A 10 5.503 17.506 3.540 1.00 52.33 C ATOM 112 O GLY A 10 4.727 18.155 4.241 1.00 22.22 O ATOM 0 H GLY A 10 6.153 14.614 2.397 1.00 53.52 H new ATOM 0 HA2 GLY A 10 5.330 15.791 4.808 1.00 24.03 H new ATOM 0 HA3 GLY A 10 6.893 15.955 4.033 1.00 24.03 H new ATOM 116 N GLY A 11 6.104 18.011 2.468 1.00 14.24 N ATOM 117 CA GLY A 11 5.869 19.385 2.063 1.00 54.32 C ATOM 118 C GLY A 11 4.403 19.669 1.803 1.00 72.25 C ATOM 119 O GLY A 11 3.913 20.756 2.106 1.00 34.44 O ATOM 0 H GLY A 11 6.750 17.493 1.872 1.00 14.24 H new ATOM 0 HA2 GLY A 11 6.234 20.057 2.840 1.00 54.32 H new ATOM 0 HA3 GLY A 11 6.443 19.598 1.161 1.00 54.32 H new ATOM 123 N GLU A 12 3.702 18.690 1.239 1.00 60.11 N ATOM 124 CA GLU A 12 2.284 18.844 0.936 1.00 12.11 C ATOM 125 C GLU A 12 1.457 18.897 2.218 1.00 12.25 C ATOM 126 O GLU A 12 0.486 19.649 2.313 1.00 53.20 O ATOM 127 CB GLU A 12 1.801 17.692 0.052 1.00 32.21 C ATOM 128 CG GLU A 12 2.743 17.371 -1.096 1.00 13.24 C ATOM 129 CD GLU A 12 2.124 16.431 -2.113 1.00 45.12 C ATOM 130 OE1 GLU A 12 2.186 15.202 -1.897 1.00 30.23 O ATOM 131 OE2 GLU A 12 1.579 16.923 -3.123 1.00 1.20 O ATOM 0 H GLU A 12 4.092 17.783 0.983 1.00 60.11 H new ATOM 0 HA GLU A 12 2.153 19.784 0.400 1.00 12.11 H new ATOM 0 HB2 GLU A 12 1.674 16.801 0.667 1.00 32.21 H new ATOM 0 HB3 GLU A 12 0.820 17.942 -0.353 1.00 32.21 H new ATOM 0 HG2 GLU A 12 3.034 18.297 -1.592 1.00 13.24 H new ATOM 0 HG3 GLU A 12 3.654 16.922 -0.699 1.00 13.24 H new ATOM 138 N LEU A 13 1.847 18.092 3.201 1.00 25.13 N ATOM 139 CA LEU A 13 1.142 18.046 4.477 1.00 41.22 C ATOM 140 C LEU A 13 1.039 19.438 5.093 1.00 43.21 C ATOM 141 O LEU A 13 -0.042 19.873 5.489 1.00 71.42 O ATOM 142 CB LEU A 13 1.857 17.100 5.443 1.00 24.41 C ATOM 143 CG LEU A 13 1.122 16.790 6.747 1.00 75.21 C ATOM 144 CD1 LEU A 13 -0.246 16.191 6.459 1.00 34.42 C ATOM 145 CD2 LEU A 13 1.946 15.850 7.614 1.00 53.25 C ATOM 0 H LEU A 13 2.647 17.463 3.138 1.00 25.13 H new ATOM 0 HA LEU A 13 0.134 17.675 4.294 1.00 41.22 H new ATOM 0 HB2 LEU A 13 2.048 16.160 4.925 1.00 24.41 H new ATOM 0 HB3 LEU A 13 2.827 17.531 5.690 1.00 24.41 H new ATOM 0 HG LEU A 13 0.980 17.723 7.292 1.00 75.21 H new ATOM 0 HD11 LEU A 13 -0.755 15.977 7.399 1.00 34.42 H new ATOM 0 HD12 LEU A 13 -0.838 16.899 5.879 1.00 34.42 H new ATOM 0 HD13 LEU A 13 -0.127 15.268 5.892 1.00 34.42 H new ATOM 0 HD21 LEU A 13 1.407 15.641 8.538 1.00 53.25 H new ATOM 0 HD22 LEU A 13 2.120 14.918 7.076 1.00 53.25 H new ATOM 0 HD23 LEU A 13 2.902 16.317 7.850 1.00 53.25 H new ATOM 157 N ASP A 14 2.170 20.131 5.168 1.00 0.03 N ATOM 158 CA ASP A 14 2.206 21.475 5.732 1.00 45.01 C ATOM 159 C ASP A 14 1.322 22.426 4.931 1.00 13.53 C ATOM 160 O ASP A 14 0.505 23.154 5.494 1.00 21.41 O ATOM 161 CB ASP A 14 3.643 21.999 5.762 1.00 73.34 C ATOM 162 CG ASP A 14 4.317 21.764 7.100 1.00 24.04 C ATOM 163 OD1 ASP A 14 3.865 20.866 7.842 1.00 22.45 O ATOM 164 OD2 ASP A 14 5.298 22.475 7.403 1.00 15.03 O ATOM 0 H ASP A 14 3.073 19.784 4.845 1.00 0.03 H new ATOM 0 HA ASP A 14 1.823 21.425 6.751 1.00 45.01 H new ATOM 0 HB2 ASP A 14 4.221 21.512 4.977 1.00 73.34 H new ATOM 0 HB3 ASP A 14 3.642 23.066 5.541 1.00 73.34 H new ATOM 169 N LYS A 15 1.491 22.414 3.612 1.00 54.45 N ATOM 170 CA LYS A 15 0.709 23.273 2.732 1.00 21.23 C ATOM 171 C LYS A 15 -0.779 22.955 2.842 1.00 75.33 C ATOM 172 O LYS A 15 -1.625 23.830 2.660 1.00 71.41 O ATOM 173 CB LYS A 15 1.170 23.108 1.282 1.00 54.11 C ATOM 174 CG LYS A 15 1.647 24.402 0.645 1.00 3.14 C ATOM 175 CD LYS A 15 3.100 24.686 0.983 1.00 23.43 C ATOM 176 CE LYS A 15 3.229 25.459 2.287 1.00 12.02 C ATOM 177 NZ LYS A 15 4.521 26.193 2.372 1.00 40.10 N ATOM 0 H LYS A 15 2.164 21.818 3.130 1.00 54.45 H new ATOM 0 HA LYS A 15 0.866 24.306 3.042 1.00 21.23 H new ATOM 0 HB2 LYS A 15 1.977 22.376 1.247 1.00 54.11 H new ATOM 0 HB3 LYS A 15 0.348 22.704 0.692 1.00 54.11 H new ATOM 0 HG2 LYS A 15 1.529 24.341 -0.437 1.00 3.14 H new ATOM 0 HG3 LYS A 15 1.024 25.229 0.988 1.00 3.14 H new ATOM 0 HD2 LYS A 15 3.647 23.746 1.060 1.00 23.43 H new ATOM 0 HD3 LYS A 15 3.558 25.256 0.174 1.00 23.43 H new ATOM 0 HE2 LYS A 15 2.404 26.166 2.373 1.00 12.02 H new ATOM 0 HE3 LYS A 15 3.147 24.770 3.127 1.00 12.02 H new ATOM 0 HZ1 LYS A 15 4.570 26.707 3.275 1.00 40.10 H new ATOM 0 HZ2 LYS A 15 5.309 25.517 2.316 1.00 40.10 H new ATOM 0 HZ3 LYS A 15 4.588 26.869 1.585 1.00 40.10 H new ATOM 191 N TRP A 16 -1.090 21.699 3.143 1.00 73.55 N ATOM 192 CA TRP A 16 -2.476 21.268 3.280 1.00 12.13 C ATOM 193 C TRP A 16 -3.148 21.958 4.462 1.00 74.23 C ATOM 194 O TRP A 16 -4.275 22.441 4.351 1.00 61.54 O ATOM 195 CB TRP A 16 -2.544 19.750 3.454 1.00 72.43 C ATOM 196 CG TRP A 16 -3.916 19.252 3.798 1.00 22.31 C ATOM 197 CD1 TRP A 16 -4.355 18.837 5.023 1.00 2.10 C ATOM 198 CD2 TRP A 16 -5.027 19.116 2.904 1.00 44.12 C ATOM 199 NE1 TRP A 16 -5.671 18.451 4.945 1.00 31.11 N ATOM 200 CE2 TRP A 16 -6.106 18.613 3.656 1.00 74.23 C ATOM 201 CE3 TRP A 16 -5.214 19.372 1.543 1.00 43.32 C ATOM 202 CZ2 TRP A 16 -7.353 18.361 3.090 1.00 11.42 C ATOM 203 CZ3 TRP A 16 -6.451 19.120 0.983 1.00 75.13 C ATOM 204 CH2 TRP A 16 -7.509 18.620 1.755 1.00 21.00 C ATOM 0 H TRP A 16 -0.402 20.962 3.297 1.00 73.55 H new ATOM 0 HA TRP A 16 -3.008 21.547 2.371 1.00 12.13 H new ATOM 0 HB2 TRP A 16 -2.212 19.271 2.533 1.00 72.43 H new ATOM 0 HB3 TRP A 16 -1.849 19.450 4.238 1.00 72.43 H new ATOM 0 HD1 TRP A 16 -3.755 18.815 5.921 1.00 2.10 H new ATOM 0 HE1 TRP A 16 -6.233 18.101 5.721 1.00 31.11 H new ATOM 0 HE3 TRP A 16 -4.406 19.760 0.940 1.00 43.32 H new ATOM 0 HZ2 TRP A 16 -8.168 17.975 3.683 1.00 11.42 H new ATOM 0 HZ3 TRP A 16 -6.606 19.312 -0.069 1.00 75.13 H new ATOM 0 HH2 TRP A 16 -8.465 18.436 1.288 1.00 21.00 H new ATOM 215 N GLU A 17 -2.449 22.002 5.592 1.00 61.22 N ATOM 216 CA GLU A 17 -2.981 22.634 6.794 1.00 40.12 C ATOM 217 C GLU A 17 -3.140 24.138 6.593 1.00 43.00 C ATOM 218 O GLU A 17 -3.800 24.815 7.381 1.00 71.43 O ATOM 219 CB GLU A 17 -2.062 22.362 7.987 1.00 75.24 C ATOM 220 CG GLU A 17 -2.006 20.899 8.393 1.00 12.24 C ATOM 221 CD GLU A 17 -1.170 20.668 9.636 1.00 23.53 C ATOM 222 OE1 GLU A 17 0.074 20.710 9.531 1.00 73.21 O ATOM 223 OE2 GLU A 17 -1.760 20.447 10.715 1.00 11.05 O ATOM 0 H GLU A 17 -1.514 21.608 5.700 1.00 61.22 H new ATOM 0 HA GLU A 17 -3.963 22.207 6.995 1.00 40.12 H new ATOM 0 HB2 GLU A 17 -1.055 22.701 7.744 1.00 75.24 H new ATOM 0 HB3 GLU A 17 -2.401 22.953 8.838 1.00 75.24 H new ATOM 0 HG2 GLU A 17 -3.019 20.536 8.569 1.00 12.24 H new ATOM 0 HG3 GLU A 17 -1.596 20.313 7.570 1.00 12.24 H new ATOM 230 N LYS A 18 -2.530 24.655 5.532 1.00 11.11 N ATOM 231 CA LYS A 18 -2.604 26.078 5.224 1.00 63.31 C ATOM 232 C LYS A 18 -3.996 26.458 4.731 1.00 15.43 C ATOM 233 O LYS A 18 -4.721 27.198 5.397 1.00 25.34 O ATOM 234 CB LYS A 18 -1.558 26.448 4.169 1.00 14.44 C ATOM 235 CG LYS A 18 -1.068 27.882 4.275 1.00 0.44 C ATOM 236 CD LYS A 18 -1.176 28.608 2.944 1.00 13.44 C ATOM 237 CE LYS A 18 -0.777 30.069 3.073 1.00 2.04 C ATOM 238 NZ LYS A 18 -1.278 30.884 1.931 1.00 41.53 N ATOM 0 H LYS A 18 -1.978 24.109 4.870 1.00 11.11 H new ATOM 0 HA LYS A 18 -2.399 26.633 6.140 1.00 63.31 H new ATOM 0 HB2 LYS A 18 -0.706 25.774 4.262 1.00 14.44 H new ATOM 0 HB3 LYS A 18 -1.983 26.290 3.178 1.00 14.44 H new ATOM 0 HG2 LYS A 18 -1.651 28.412 5.028 1.00 0.44 H new ATOM 0 HG3 LYS A 18 -0.031 27.889 4.611 1.00 0.44 H new ATOM 0 HD2 LYS A 18 -0.537 28.119 2.209 1.00 13.44 H new ATOM 0 HD3 LYS A 18 -2.199 28.540 2.573 1.00 13.44 H new ATOM 0 HE2 LYS A 18 -1.170 30.472 4.007 1.00 2.04 H new ATOM 0 HE3 LYS A 18 0.309 30.146 3.125 1.00 2.04 H new ATOM 0 HZ1 LYS A 18 -0.985 31.874 2.056 1.00 41.53 H new ATOM 0 HZ2 LYS A 18 -0.883 30.516 1.042 1.00 41.53 H new ATOM 0 HZ3 LYS A 18 -2.316 30.832 1.896 1.00 41.53 H new ATOM 252 N ILE A 19 -4.365 25.943 3.562 1.00 75.35 N ATOM 253 CA ILE A 19 -5.672 26.226 2.982 1.00 64.22 C ATOM 254 C ILE A 19 -6.780 26.058 4.016 1.00 31.21 C ATOM 255 O ILE A 19 -6.717 25.174 4.871 1.00 21.22 O ATOM 256 CB ILE A 19 -5.964 25.310 1.779 1.00 62.14 C ATOM 257 CG1 ILE A 19 -4.848 25.426 0.739 1.00 31.13 C ATOM 258 CG2 ILE A 19 -7.309 25.660 1.162 1.00 54.31 C ATOM 259 CD1 ILE A 19 -4.264 24.093 0.328 1.00 33.14 C ATOM 0 H ILE A 19 -3.777 25.328 2.999 1.00 75.35 H new ATOM 0 HA ILE A 19 -5.649 27.262 2.642 1.00 64.22 H new ATOM 0 HB ILE A 19 -6.004 24.278 2.128 1.00 62.14 H new ATOM 0 HG12 ILE A 19 -5.237 25.931 -0.145 1.00 31.13 H new ATOM 0 HG13 ILE A 19 -4.052 26.054 1.140 1.00 31.13 H new ATOM 0 HG21 ILE A 19 -7.501 25.004 0.313 1.00 54.31 H new ATOM 0 HG22 ILE A 19 -8.095 25.531 1.906 1.00 54.31 H new ATOM 0 HG23 ILE A 19 -7.296 26.696 0.824 1.00 54.31 H new ATOM 0 HD11 ILE A 19 -3.479 24.252 -0.411 1.00 33.14 H new ATOM 0 HD12 ILE A 19 -3.844 23.595 1.202 1.00 33.14 H new ATOM 0 HD13 ILE A 19 -5.047 23.470 -0.103 1.00 33.14 H new ATOM 271 N ARG A 20 -7.796 26.911 3.931 1.00 61.41 N ATOM 272 CA ARG A 20 -8.919 26.856 4.859 1.00 31.25 C ATOM 273 C ARG A 20 -10.189 26.398 4.148 1.00 11.41 C ATOM 274 O ARG A 20 -10.303 26.505 2.926 1.00 70.24 O ATOM 275 CB ARG A 20 -9.147 28.228 5.498 1.00 5.51 C ATOM 276 CG ARG A 20 -7.996 28.688 6.377 1.00 44.33 C ATOM 277 CD ARG A 20 -8.119 30.162 6.729 1.00 32.41 C ATOM 278 NE ARG A 20 -7.995 31.019 5.552 1.00 44.25 N ATOM 279 CZ ARG A 20 -7.976 32.345 5.608 1.00 61.23 C ATOM 280 NH1 ARG A 20 -8.072 32.965 6.777 1.00 61.02 N ATOM 281 NH2 ARG A 20 -7.860 33.055 4.493 1.00 73.44 N ATOM 0 H ARG A 20 -7.864 27.648 3.229 1.00 61.41 H new ATOM 0 HA ARG A 20 -8.679 26.134 5.639 1.00 31.25 H new ATOM 0 HB2 ARG A 20 -9.309 28.964 4.710 1.00 5.51 H new ATOM 0 HB3 ARG A 20 -10.058 28.195 6.095 1.00 5.51 H new ATOM 0 HG2 ARG A 20 -7.975 28.095 7.291 1.00 44.33 H new ATOM 0 HG3 ARG A 20 -7.051 28.513 5.862 1.00 44.33 H new ATOM 0 HD2 ARG A 20 -9.082 30.341 7.208 1.00 32.41 H new ATOM 0 HD3 ARG A 20 -7.349 30.427 7.453 1.00 32.41 H new ATOM 0 HE ARG A 20 -7.919 30.574 4.637 1.00 44.25 H new ATOM 0 HH11 ARG A 20 -8.161 32.423 7.636 1.00 61.02 H new ATOM 0 HH12 ARG A 20 -8.057 33.984 6.817 1.00 61.02 H new ATOM 0 HH21 ARG A 20 -7.785 32.582 3.592 1.00 73.44 H new ATOM 0 HH22 ARG A 20 -7.845 34.074 4.536 1.00 73.44 H new ATOM 295 N LEU A 21 -11.141 25.886 4.921 1.00 35.23 N ATOM 296 CA LEU A 21 -12.403 25.410 4.366 1.00 33.12 C ATOM 297 C LEU A 21 -13.165 26.547 3.691 1.00 13.33 C ATOM 298 O LEU A 21 -13.781 26.357 2.643 1.00 35.53 O ATOM 299 CB LEU A 21 -13.264 24.787 5.466 1.00 72.11 C ATOM 300 CG LEU A 21 -12.589 23.713 6.320 1.00 2.13 C ATOM 301 CD1 LEU A 21 -13.257 23.614 7.681 1.00 53.13 C ATOM 302 CD2 LEU A 21 -12.621 22.367 5.609 1.00 22.44 C ATOM 0 H LEU A 21 -11.063 25.790 5.933 1.00 35.23 H new ATOM 0 HA LEU A 21 -12.178 24.652 3.616 1.00 33.12 H new ATOM 0 HB2 LEU A 21 -13.608 25.584 6.125 1.00 72.11 H new ATOM 0 HB3 LEU A 21 -14.150 24.351 5.003 1.00 72.11 H new ATOM 0 HG LEU A 21 -11.548 23.998 6.470 1.00 2.13 H new ATOM 0 HD11 LEU A 21 -12.763 22.844 8.274 1.00 53.13 H new ATOM 0 HD12 LEU A 21 -13.181 24.573 8.194 1.00 53.13 H new ATOM 0 HD13 LEU A 21 -14.308 23.354 7.553 1.00 53.13 H new ATOM 0 HD21 LEU A 21 -12.136 21.615 6.232 1.00 22.44 H new ATOM 0 HD22 LEU A 21 -13.656 22.076 5.428 1.00 22.44 H new ATOM 0 HD23 LEU A 21 -12.094 22.445 4.658 1.00 22.44 H new ATOM 314 N ARG A 22 -13.115 27.728 4.299 1.00 41.11 N ATOM 315 CA ARG A 22 -13.800 28.895 3.757 1.00 21.34 C ATOM 316 C ARG A 22 -12.821 30.044 3.534 1.00 3.12 C ATOM 317 O ARG A 22 -11.731 30.085 4.107 1.00 54.44 O ATOM 318 CB ARG A 22 -14.919 29.341 4.699 1.00 42.54 C ATOM 319 CG ARG A 22 -16.274 28.740 4.361 1.00 73.44 C ATOM 320 CD ARG A 22 -17.409 29.543 4.978 1.00 64.53 C ATOM 321 NE ARG A 22 -18.716 28.970 4.669 1.00 31.31 N ATOM 322 CZ ARG A 22 -19.359 29.181 3.526 1.00 53.50 C ATOM 323 NH1 ARG A 22 -18.819 29.946 2.589 1.00 3.11 N ATOM 324 NH2 ARG A 22 -20.546 28.624 3.320 1.00 24.14 N ATOM 0 H ARG A 22 -12.608 27.902 5.167 1.00 41.11 H new ATOM 0 HA ARG A 22 -14.233 28.616 2.796 1.00 21.34 H new ATOM 0 HB2 ARG A 22 -14.654 29.067 5.720 1.00 42.54 H new ATOM 0 HB3 ARG A 22 -14.995 30.428 4.670 1.00 42.54 H new ATOM 0 HG2 ARG A 22 -16.398 28.705 3.279 1.00 73.44 H new ATOM 0 HG3 ARG A 22 -16.317 27.712 4.720 1.00 73.44 H new ATOM 0 HD2 ARG A 22 -17.278 29.584 6.059 1.00 64.53 H new ATOM 0 HD3 ARG A 22 -17.367 30.569 4.613 1.00 64.53 H new ATOM 0 HE ARG A 22 -19.159 28.375 5.369 1.00 31.31 H new ATOM 0 HH11 ARG A 22 -17.907 30.375 2.744 1.00 3.11 H new ATOM 0 HH12 ARG A 22 -19.315 30.106 1.712 1.00 3.11 H new ATOM 0 HH21 ARG A 22 -20.964 28.034 4.039 1.00 24.14 H new ATOM 0 HH22 ARG A 22 -21.040 28.786 2.442 1.00 24.14 H new ATOM 338 N PRO A 23 -13.215 31.002 2.681 1.00 41.52 N ATOM 339 CA PRO A 23 -12.387 32.169 2.363 1.00 71.44 C ATOM 340 C PRO A 23 -12.266 33.131 3.540 1.00 63.22 C ATOM 341 O PRO A 23 -11.232 33.773 3.725 1.00 53.33 O ATOM 342 CB PRO A 23 -13.139 32.832 1.207 1.00 73.21 C ATOM 343 CG PRO A 23 -14.555 32.403 1.380 1.00 22.41 C ATOM 344 CD PRO A 23 -14.500 31.019 1.963 1.00 15.41 C ATOM 0 HA PRO A 23 -11.363 31.888 2.118 1.00 71.44 H new ATOM 0 HB2 PRO A 23 -13.047 33.917 1.246 1.00 73.21 H new ATOM 0 HB3 PRO A 23 -12.744 32.513 0.243 1.00 73.21 H new ATOM 0 HG2 PRO A 23 -15.091 33.084 2.041 1.00 22.41 H new ATOM 0 HG3 PRO A 23 -15.082 32.404 0.426 1.00 22.41 H new ATOM 0 HD2 PRO A 23 -15.338 30.832 2.635 1.00 15.41 H new ATOM 0 HD3 PRO A 23 -14.537 30.254 1.187 1.00 15.41 H new ATOM 352 N GLY A 24 -13.327 33.225 4.335 1.00 73.11 N ATOM 353 CA GLY A 24 -13.318 34.111 5.484 1.00 30.33 C ATOM 354 C GLY A 24 -13.511 33.367 6.791 1.00 71.53 C ATOM 355 O GLY A 24 -14.105 33.893 7.731 1.00 23.23 O ATOM 0 H GLY A 24 -14.193 32.703 4.204 1.00 73.11 H new ATOM 0 HA2 GLY A 24 -12.373 34.653 5.514 1.00 30.33 H new ATOM 0 HA3 GLY A 24 -14.108 34.854 5.372 1.00 30.33 H new ATOM 359 N GLY A 25 -13.008 32.138 6.850 1.00 52.11 N ATOM 360 CA GLY A 25 -13.140 31.340 8.055 1.00 73.12 C ATOM 361 C GLY A 25 -11.852 31.274 8.851 1.00 12.43 C ATOM 362 O GLY A 25 -10.796 31.686 8.371 1.00 64.44 O ATOM 0 H GLY A 25 -12.512 31.681 6.085 1.00 52.11 H new ATOM 0 HA2 GLY A 25 -13.929 31.759 8.680 1.00 73.12 H new ATOM 0 HA3 GLY A 25 -13.449 30.330 7.786 1.00 73.12 H new ATOM 366 N LYS A 26 -11.938 30.755 10.071 1.00 12.42 N ATOM 367 CA LYS A 26 -10.770 30.636 10.936 1.00 53.11 C ATOM 368 C LYS A 26 -10.312 29.184 11.036 1.00 20.45 C ATOM 369 O LYS A 26 -9.279 28.887 11.635 1.00 74.51 O ATOM 370 CB LYS A 26 -11.088 31.178 12.332 1.00 1.13 C ATOM 371 CG LYS A 26 -9.863 31.666 13.087 1.00 54.01 C ATOM 372 CD LYS A 26 -9.683 30.918 14.397 1.00 42.21 C ATOM 373 CE LYS A 26 -10.568 31.492 15.494 1.00 25.22 C ATOM 374 NZ LYS A 26 -9.788 31.829 16.716 1.00 42.23 N ATOM 0 H LYS A 26 -12.805 30.410 10.483 1.00 12.42 H new ATOM 0 HA LYS A 26 -9.963 31.224 10.498 1.00 53.11 H new ATOM 0 HB2 LYS A 26 -11.799 31.999 12.241 1.00 1.13 H new ATOM 0 HB3 LYS A 26 -11.576 30.396 12.914 1.00 1.13 H new ATOM 0 HG2 LYS A 26 -8.976 31.535 12.467 1.00 54.01 H new ATOM 0 HG3 LYS A 26 -9.958 32.733 13.286 1.00 54.01 H new ATOM 0 HD2 LYS A 26 -9.920 29.864 14.251 1.00 42.21 H new ATOM 0 HD3 LYS A 26 -8.639 30.970 14.706 1.00 42.21 H new ATOM 0 HE2 LYS A 26 -11.070 32.387 15.125 1.00 25.22 H new ATOM 0 HE3 LYS A 26 -11.346 30.772 15.747 1.00 25.22 H new ATOM 0 HZ1 LYS A 26 -10.427 32.217 17.439 1.00 42.23 H new ATOM 0 HZ2 LYS A 26 -9.330 30.971 17.083 1.00 42.23 H new ATOM 0 HZ3 LYS A 26 -9.062 32.535 16.481 1.00 42.23 H new ATOM 388 N LYS A 27 -11.087 28.282 10.442 1.00 21.52 N ATOM 389 CA LYS A 27 -10.760 26.862 10.460 1.00 2.32 C ATOM 390 C LYS A 27 -9.942 26.475 9.232 1.00 25.33 C ATOM 391 O LYS A 27 -10.320 26.783 8.102 1.00 71.40 O ATOM 392 CB LYS A 27 -12.039 26.023 10.518 1.00 64.41 C ATOM 393 CG LYS A 27 -11.835 24.644 11.120 1.00 12.23 C ATOM 394 CD LYS A 27 -13.150 23.894 11.255 1.00 21.50 C ATOM 395 CE LYS A 27 -12.952 22.392 11.118 1.00 15.22 C ATOM 396 NZ LYS A 27 -14.127 21.629 11.623 1.00 61.32 N ATOM 0 H LYS A 27 -11.946 28.510 9.942 1.00 21.52 H new ATOM 0 HA LYS A 27 -10.162 26.665 11.350 1.00 2.32 H new ATOM 0 HB2 LYS A 27 -12.788 26.558 11.102 1.00 64.41 H new ATOM 0 HB3 LYS A 27 -12.438 25.915 9.510 1.00 64.41 H new ATOM 0 HG2 LYS A 27 -11.151 24.071 10.495 1.00 12.23 H new ATOM 0 HG3 LYS A 27 -11.367 24.739 12.100 1.00 12.23 H new ATOM 0 HD2 LYS A 27 -13.599 24.116 12.223 1.00 21.50 H new ATOM 0 HD3 LYS A 27 -13.848 24.241 10.493 1.00 21.50 H new ATOM 0 HE2 LYS A 27 -12.780 22.142 10.071 1.00 15.22 H new ATOM 0 HE3 LYS A 27 -12.060 22.092 11.668 1.00 15.22 H new ATOM 0 HZ1 LYS A 27 -13.953 20.610 11.512 1.00 61.32 H new ATOM 0 HZ2 LYS A 27 -14.276 21.847 12.629 1.00 61.32 H new ATOM 0 HZ3 LYS A 27 -14.974 21.896 11.081 1.00 61.32 H new ATOM 410 N GLN A 28 -8.821 25.799 9.461 1.00 44.55 N ATOM 411 CA GLN A 28 -7.951 25.370 8.372 1.00 30.01 C ATOM 412 C GLN A 28 -8.213 23.913 8.007 1.00 43.52 C ATOM 413 O GLN A 28 -9.069 23.258 8.602 1.00 73.34 O ATOM 414 CB GLN A 28 -6.483 25.556 8.761 1.00 14.20 C ATOM 415 CG GLN A 28 -6.206 26.863 9.485 1.00 63.40 C ATOM 416 CD GLN A 28 -5.894 26.662 10.955 1.00 23.32 C ATOM 417 OE1 GLN A 28 -5.259 25.679 11.337 1.00 70.22 O ATOM 418 NE2 GLN A 28 -6.340 27.595 11.787 1.00 71.43 N ATOM 0 H GLN A 28 -8.494 25.536 10.391 1.00 44.55 H new ATOM 0 HA GLN A 28 -8.170 25.988 7.501 1.00 30.01 H new ATOM 0 HB2 GLN A 28 -6.177 24.726 9.397 1.00 14.20 H new ATOM 0 HB3 GLN A 28 -5.869 25.512 7.861 1.00 14.20 H new ATOM 0 HG2 GLN A 28 -5.368 27.369 9.006 1.00 63.40 H new ATOM 0 HG3 GLN A 28 -7.072 27.518 9.388 1.00 63.40 H new ATOM 0 HE21 GLN A 28 -6.862 28.393 11.426 1.00 71.43 H new ATOM 0 HE22 GLN A 28 -6.160 27.514 12.788 1.00 71.43 H new ATOM 427 N TYR A 29 -7.471 23.412 7.027 1.00 40.11 N ATOM 428 CA TYR A 29 -7.626 22.032 6.581 1.00 5.32 C ATOM 429 C TYR A 29 -6.834 21.080 7.472 1.00 2.52 C ATOM 430 O TYR A 29 -5.740 21.406 7.934 1.00 32.20 O ATOM 431 CB TYR A 29 -7.166 21.889 5.129 1.00 2.42 C ATOM 432 CG TYR A 29 -8.301 21.903 4.131 1.00 1.35 C ATOM 433 CD1 TYR A 29 -9.159 20.817 4.009 1.00 54.42 C ATOM 434 CD2 TYR A 29 -8.515 23.002 3.307 1.00 11.51 C ATOM 435 CE1 TYR A 29 -10.198 20.825 3.099 1.00 12.11 C ATOM 436 CE2 TYR A 29 -9.552 23.019 2.394 1.00 31.13 C ATOM 437 CZ TYR A 29 -10.391 21.929 2.293 1.00 44.53 C ATOM 438 OH TYR A 29 -11.423 21.941 1.384 1.00 1.31 O ATOM 0 H TYR A 29 -6.756 23.940 6.526 1.00 40.11 H new ATOM 0 HA TYR A 29 -8.682 21.771 6.649 1.00 5.32 H new ATOM 0 HB2 TYR A 29 -6.476 22.699 4.894 1.00 2.42 H new ATOM 0 HB3 TYR A 29 -6.611 20.957 5.022 1.00 2.42 H new ATOM 0 HD1 TYR A 29 -9.011 19.951 4.637 1.00 54.42 H new ATOM 0 HD2 TYR A 29 -7.860 23.857 3.382 1.00 11.51 H new ATOM 0 HE1 TYR A 29 -10.856 19.972 3.018 1.00 12.11 H new ATOM 0 HE2 TYR A 29 -9.705 23.882 1.762 1.00 31.13 H new ATOM 0 HH TYR A 29 -11.689 22.867 1.203 1.00 1.31 H new ATOM 448 N LYS A 30 -7.395 19.898 7.709 1.00 72.43 N ATOM 449 CA LYS A 30 -6.744 18.896 8.544 1.00 1.11 C ATOM 450 C LYS A 30 -6.903 17.502 7.944 1.00 32.34 C ATOM 451 O LYS A 30 -7.694 17.299 7.020 1.00 42.34 O ATOM 452 CB LYS A 30 -7.327 18.922 9.958 1.00 70.55 C ATOM 453 CG LYS A 30 -6.271 18.964 11.050 1.00 34.53 C ATOM 454 CD LYS A 30 -6.843 18.550 12.395 1.00 52.42 C ATOM 455 CE LYS A 30 -5.761 18.469 13.460 1.00 40.51 C ATOM 456 NZ LYS A 30 -4.677 17.521 13.078 1.00 61.23 N ATOM 0 H LYS A 30 -8.299 19.611 7.334 1.00 72.43 H new ATOM 0 HA LYS A 30 -5.681 19.134 8.591 1.00 1.11 H new ATOM 0 HB2 LYS A 30 -7.976 19.792 10.058 1.00 70.55 H new ATOM 0 HB3 LYS A 30 -7.951 18.040 10.101 1.00 70.55 H new ATOM 0 HG2 LYS A 30 -5.446 18.303 10.785 1.00 34.53 H new ATOM 0 HG3 LYS A 30 -5.861 19.971 11.122 1.00 34.53 H new ATOM 0 HD2 LYS A 30 -7.605 19.266 12.703 1.00 52.42 H new ATOM 0 HD3 LYS A 30 -7.335 17.582 12.300 1.00 52.42 H new ATOM 0 HE2 LYS A 30 -5.337 19.460 13.623 1.00 40.51 H new ATOM 0 HE3 LYS A 30 -6.204 18.153 14.404 1.00 40.51 H new ATOM 0 HZ1 LYS A 30 -4.415 16.943 13.902 1.00 61.23 H new ATOM 0 HZ2 LYS A 30 -5.012 16.901 12.313 1.00 61.23 H new ATOM 0 HZ3 LYS A 30 -3.847 18.056 12.752 1.00 61.23 H new ATOM 470 N LEU A 31 -6.149 16.545 8.473 1.00 2.03 N ATOM 471 CA LEU A 31 -6.207 15.170 7.990 1.00 50.24 C ATOM 472 C LEU A 31 -7.650 14.679 7.921 1.00 1.40 C ATOM 473 O LEU A 31 -8.024 13.947 7.004 1.00 14.41 O ATOM 474 CB LEU A 31 -5.387 14.254 8.900 1.00 40.04 C ATOM 475 CG LEU A 31 -4.054 13.765 8.334 1.00 61.41 C ATOM 476 CD1 LEU A 31 -3.160 14.944 7.982 1.00 44.51 C ATOM 477 CD2 LEU A 31 -3.359 12.845 9.327 1.00 2.51 C ATOM 0 H LEU A 31 -5.490 16.696 9.237 1.00 2.03 H new ATOM 0 HA LEU A 31 -5.785 15.145 6.985 1.00 50.24 H new ATOM 0 HB2 LEU A 31 -5.191 14.783 9.833 1.00 40.04 H new ATOM 0 HB3 LEU A 31 -5.994 13.384 9.149 1.00 40.04 H new ATOM 0 HG LEU A 31 -4.253 13.200 7.423 1.00 61.41 H new ATOM 0 HD11 LEU A 31 -2.215 14.577 7.581 1.00 44.51 H new ATOM 0 HD12 LEU A 31 -3.655 15.566 7.236 1.00 44.51 H new ATOM 0 HD13 LEU A 31 -2.968 15.535 8.877 1.00 44.51 H new ATOM 0 HD21 LEU A 31 -2.412 12.506 8.908 1.00 2.51 H new ATOM 0 HD22 LEU A 31 -3.172 13.386 10.255 1.00 2.51 H new ATOM 0 HD23 LEU A 31 -3.994 11.983 9.531 1.00 2.51 H new ATOM 489 N LYS A 32 -8.456 15.086 8.894 1.00 65.25 N ATOM 490 CA LYS A 32 -9.859 14.691 8.944 1.00 63.42 C ATOM 491 C LYS A 32 -10.526 14.885 7.586 1.00 11.52 C ATOM 492 O LYS A 32 -11.160 13.970 7.060 1.00 14.03 O ATOM 493 CB LYS A 32 -10.601 15.501 10.009 1.00 73.41 C ATOM 494 CG LYS A 32 -10.900 14.714 11.273 1.00 63.41 C ATOM 495 CD LYS A 32 -12.316 14.163 11.266 1.00 25.22 C ATOM 496 CE LYS A 32 -12.369 12.756 11.840 1.00 4.30 C ATOM 497 NZ LYS A 32 -13.674 12.092 11.564 1.00 72.54 N ATOM 0 H LYS A 32 -8.162 15.691 9.661 1.00 65.25 H new ATOM 0 HA LYS A 32 -9.904 13.634 9.205 1.00 63.42 H new ATOM 0 HB2 LYS A 32 -10.005 16.376 10.268 1.00 73.41 H new ATOM 0 HB3 LYS A 32 -11.538 15.866 9.588 1.00 73.41 H new ATOM 0 HG2 LYS A 32 -10.190 13.893 11.368 1.00 63.41 H new ATOM 0 HG3 LYS A 32 -10.763 15.356 12.143 1.00 63.41 H new ATOM 0 HD2 LYS A 32 -12.966 14.818 11.846 1.00 25.22 H new ATOM 0 HD3 LYS A 32 -12.700 14.156 10.246 1.00 25.22 H new ATOM 0 HE2 LYS A 32 -11.561 12.160 11.415 1.00 4.30 H new ATOM 0 HE3 LYS A 32 -12.203 12.797 12.916 1.00 4.30 H new ATOM 0 HZ1 LYS A 32 -13.811 11.305 12.230 1.00 72.54 H new ATOM 0 HZ2 LYS A 32 -14.445 12.781 11.678 1.00 72.54 H new ATOM 0 HZ3 LYS A 32 -13.678 11.726 10.591 1.00 72.54 H new ATOM 511 N HIS A 33 -10.377 16.079 7.023 1.00 71.34 N ATOM 512 CA HIS A 33 -10.965 16.392 5.725 1.00 1.04 C ATOM 513 C HIS A 33 -10.448 15.438 4.652 1.00 21.15 C ATOM 514 O HIS A 33 -11.219 15.141 3.739 1.00 75.34 O ATOM 515 CB HIS A 33 -10.649 17.836 5.333 1.00 31.43 C ATOM 516 CG HIS A 33 -11.002 18.835 6.393 1.00 2.23 C ATOM 517 ND1 HIS A 33 -10.129 19.807 6.831 1.00 32.44 N ATOM 518 CD2 HIS A 33 -12.141 19.007 7.101 1.00 75.44 C ATOM 519 CE1 HIS A 33 -10.717 20.535 7.764 1.00 62.11 C ATOM 520 NE2 HIS A 33 -11.939 20.070 7.947 1.00 12.14 N ATOM 0 H HIS A 33 -9.854 16.846 7.445 1.00 71.34 H new ATOM 0 HA HIS A 33 -12.046 16.273 5.805 1.00 1.04 H new ATOM 0 HB2 HIS A 33 -9.586 17.918 5.107 1.00 31.43 H new ATOM 0 HB3 HIS A 33 -11.189 18.082 4.419 1.00 31.43 H new ATOM 0 HD2 HIS A 33 -13.042 18.418 7.017 1.00 75.44 H new ATOM 0 HE1 HIS A 33 -10.273 21.369 8.288 1.00 62.11 H new ATOM 0 HE2 HIS A 33 -12.622 20.440 8.609 1.00 12.14 H new ATOM 528 N ILE A 34 -9.208 14.967 4.733 1.00 53.14 N ATOM 529 CA ILE A 34 -8.671 14.052 3.733 1.00 54.31 C ATOM 530 C ILE A 34 -9.276 12.660 3.880 1.00 52.42 C ATOM 531 O ILE A 34 -10.053 12.215 3.034 1.00 70.54 O ATOM 532 CB ILE A 34 -7.138 13.947 3.830 1.00 55.54 C ATOM 533 CG1 ILE A 34 -6.505 15.339 3.782 1.00 50.41 C ATOM 534 CG2 ILE A 34 -6.595 13.072 2.711 1.00 25.23 C ATOM 535 CD1 ILE A 34 -5.032 15.345 4.121 1.00 45.44 C ATOM 0 H ILE A 34 -8.556 15.204 5.481 1.00 53.14 H new ATOM 0 HA ILE A 34 -8.937 14.460 2.758 1.00 54.31 H new ATOM 0 HB ILE A 34 -6.880 13.485 4.783 1.00 55.54 H new ATOM 0 HG12 ILE A 34 -6.642 15.757 2.785 1.00 50.41 H new ATOM 0 HG13 ILE A 34 -7.032 15.993 4.477 1.00 50.41 H new ATOM 0 HG21 ILE A 34 -5.510 13.008 2.793 1.00 25.23 H new ATOM 0 HG22 ILE A 34 -7.025 12.073 2.789 1.00 25.23 H new ATOM 0 HG23 ILE A 34 -6.861 13.507 1.748 1.00 25.23 H new ATOM 0 HD11 ILE A 34 -4.650 16.365 4.067 1.00 45.44 H new ATOM 0 HD12 ILE A 34 -4.889 14.957 5.130 1.00 45.44 H new ATOM 0 HD13 ILE A 34 -4.493 14.718 3.411 1.00 45.44 H new ATOM 547 N VAL A 35 -8.916 11.976 4.962 1.00 3.13 N ATOM 548 CA VAL A 35 -9.425 10.634 5.222 1.00 71.43 C ATOM 549 C VAL A 35 -10.936 10.572 5.025 1.00 24.13 C ATOM 550 O VAL A 35 -11.472 9.555 4.586 1.00 52.13 O ATOM 551 CB VAL A 35 -9.086 10.174 6.653 1.00 71.22 C ATOM 552 CG1 VAL A 35 -9.675 8.799 6.924 1.00 40.25 C ATOM 553 CG2 VAL A 35 -7.580 10.170 6.868 1.00 34.11 C ATOM 0 H VAL A 35 -8.274 12.329 5.672 1.00 3.13 H new ATOM 0 HA VAL A 35 -8.941 9.967 4.509 1.00 71.43 H new ATOM 0 HB VAL A 35 -9.529 10.878 7.358 1.00 71.22 H new ATOM 0 HG11 VAL A 35 -9.426 8.490 7.939 1.00 40.25 H new ATOM 0 HG12 VAL A 35 -10.759 8.839 6.813 1.00 40.25 H new ATOM 0 HG13 VAL A 35 -9.264 8.081 6.215 1.00 40.25 H new ATOM 0 HG21 VAL A 35 -7.358 9.843 7.884 1.00 34.11 H new ATOM 0 HG22 VAL A 35 -7.113 9.489 6.157 1.00 34.11 H new ATOM 0 HG23 VAL A 35 -7.188 11.176 6.717 1.00 34.11 H new ATOM 563 N TRP A 36 -11.615 11.665 5.350 1.00 11.02 N ATOM 564 CA TRP A 36 -13.065 11.735 5.208 1.00 20.22 C ATOM 565 C TRP A 36 -13.485 11.434 3.774 1.00 35.15 C ATOM 566 O TRP A 36 -14.241 10.497 3.523 1.00 32.04 O ATOM 567 CB TRP A 36 -13.573 13.117 5.623 1.00 2.14 C ATOM 568 CG TRP A 36 -15.057 13.271 5.480 1.00 73.32 C ATOM 569 CD1 TRP A 36 -16.004 12.992 6.425 1.00 23.45 C ATOM 570 CD2 TRP A 36 -15.764 13.738 4.326 1.00 44.42 C ATOM 571 NE1 TRP A 36 -17.256 13.259 5.926 1.00 13.21 N ATOM 572 CE2 TRP A 36 -17.136 13.718 4.641 1.00 13.24 C ATOM 573 CE3 TRP A 36 -15.370 14.173 3.058 1.00 2.23 C ATOM 574 CZ2 TRP A 36 -18.114 14.115 3.733 1.00 4.24 C ATOM 575 CZ3 TRP A 36 -16.341 14.566 2.157 1.00 20.24 C ATOM 576 CH2 TRP A 36 -17.700 14.536 2.498 1.00 64.40 C ATOM 0 H TRP A 36 -11.185 12.516 5.714 1.00 11.02 H new ATOM 0 HA TRP A 36 -13.507 10.983 5.862 1.00 20.22 H new ATOM 0 HB2 TRP A 36 -13.294 13.303 6.660 1.00 2.14 H new ATOM 0 HB3 TRP A 36 -13.076 13.876 5.018 1.00 2.14 H new ATOM 0 HD1 TRP A 36 -15.799 12.617 7.417 1.00 23.45 H new ATOM 0 HE1 TRP A 36 -18.133 13.135 6.431 1.00 13.21 H new ATOM 0 HE3 TRP A 36 -14.325 14.202 2.787 1.00 2.23 H new ATOM 0 HZ2 TRP A 36 -19.162 14.092 3.994 1.00 4.24 H new ATOM 0 HZ3 TRP A 36 -16.048 14.902 1.173 1.00 20.24 H new ATOM 0 HH2 TRP A 36 -18.435 14.851 1.772 1.00 64.40 H new ATOM 587 N ALA A 37 -12.991 12.236 2.835 1.00 42.14 N ATOM 588 CA ALA A 37 -13.314 12.053 1.426 1.00 70.42 C ATOM 589 C ALA A 37 -12.869 10.681 0.934 1.00 75.03 C ATOM 590 O ALA A 37 -13.552 10.048 0.128 1.00 61.55 O ATOM 591 CB ALA A 37 -12.671 13.150 0.590 1.00 62.23 C ATOM 0 H ALA A 37 -12.365 13.019 3.026 1.00 42.14 H new ATOM 0 HA ALA A 37 -14.397 12.115 1.316 1.00 70.42 H new ATOM 0 HB1 ALA A 37 -12.921 13.001 -0.460 1.00 62.23 H new ATOM 0 HB2 ALA A 37 -13.042 14.121 0.917 1.00 62.23 H new ATOM 0 HB3 ALA A 37 -11.589 13.115 0.714 1.00 62.23 H new ATOM 597 N SER A 38 -11.719 10.226 1.423 1.00 35.53 N ATOM 598 CA SER A 38 -11.182 8.930 1.029 1.00 4.12 C ATOM 599 C SER A 38 -12.122 7.802 1.442 1.00 12.34 C ATOM 600 O SER A 38 -12.211 6.775 0.768 1.00 71.20 O ATOM 601 CB SER A 38 -9.803 8.714 1.656 1.00 33.53 C ATOM 602 OG SER A 38 -9.156 9.951 1.905 1.00 12.14 O ATOM 0 H SER A 38 -11.142 10.736 2.092 1.00 35.53 H new ATOM 0 HA SER A 38 -11.087 8.920 -0.057 1.00 4.12 H new ATOM 0 HB2 SER A 38 -9.907 8.160 2.589 1.00 33.53 H new ATOM 0 HB3 SER A 38 -9.189 8.106 0.991 1.00 33.53 H new ATOM 0 HG SER A 38 -8.278 9.786 2.307 1.00 12.14 H new ATOM 608 N ARG A 39 -12.823 8.002 2.553 1.00 0.44 N ATOM 609 CA ARG A 39 -13.757 7.002 3.058 1.00 20.44 C ATOM 610 C ARG A 39 -15.048 7.005 2.243 1.00 43.25 C ATOM 611 O ARG A 39 -15.823 6.051 2.291 1.00 73.25 O ATOM 612 CB ARG A 39 -14.070 7.265 4.532 1.00 32.11 C ATOM 613 CG ARG A 39 -13.725 6.100 5.444 1.00 42.13 C ATOM 614 CD ARG A 39 -14.905 5.706 6.317 1.00 74.31 C ATOM 615 NE ARG A 39 -14.879 4.289 6.668 1.00 14.42 N ATOM 616 CZ ARG A 39 -15.681 3.740 7.574 1.00 3.12 C ATOM 617 NH1 ARG A 39 -16.568 4.487 8.217 1.00 52.51 N ATOM 618 NH2 ARG A 39 -15.597 2.443 7.837 1.00 44.45 N ATOM 0 H ARG A 39 -12.762 8.847 3.121 1.00 0.44 H new ATOM 0 HA ARG A 39 -13.290 6.022 2.963 1.00 20.44 H new ATOM 0 HB2 ARG A 39 -13.520 8.147 4.860 1.00 32.11 H new ATOM 0 HB3 ARG A 39 -15.131 7.494 4.634 1.00 32.11 H new ATOM 0 HG2 ARG A 39 -13.415 5.245 4.843 1.00 42.13 H new ATOM 0 HG3 ARG A 39 -12.878 6.369 6.075 1.00 42.13 H new ATOM 0 HD2 ARG A 39 -14.898 6.305 7.228 1.00 74.31 H new ATOM 0 HD3 ARG A 39 -15.834 5.933 5.794 1.00 74.31 H new ATOM 0 HE ARG A 39 -14.208 3.687 6.191 1.00 14.42 H new ATOM 0 HH11 ARG A 39 -16.635 5.485 8.016 1.00 52.51 H new ATOM 0 HH12 ARG A 39 -17.183 4.064 8.912 1.00 52.51 H new ATOM 0 HH21 ARG A 39 -14.916 1.866 7.344 1.00 44.45 H new ATOM 0 HH22 ARG A 39 -16.213 2.023 8.533 1.00 44.45 H new ATOM 632 N GLU A 40 -15.270 8.082 1.498 1.00 62.42 N ATOM 633 CA GLU A 40 -16.466 8.209 0.676 1.00 13.34 C ATOM 634 C GLU A 40 -16.228 7.646 -0.723 1.00 3.12 C ATOM 635 O GLU A 40 -17.081 6.954 -1.280 1.00 60.41 O ATOM 636 CB GLU A 40 -16.895 9.674 0.580 1.00 72.33 C ATOM 637 CG GLU A 40 -18.380 9.858 0.311 1.00 41.34 C ATOM 638 CD GLU A 40 -19.064 10.703 1.368 1.00 73.32 C ATOM 639 OE1 GLU A 40 -19.231 10.211 2.504 1.00 63.31 O ATOM 640 OE2 GLU A 40 -19.434 11.855 1.059 1.00 61.53 O ATOM 0 H GLU A 40 -14.637 8.880 1.447 1.00 62.42 H new ATOM 0 HA GLU A 40 -17.262 7.635 1.150 1.00 13.34 H new ATOM 0 HB2 GLU A 40 -16.637 10.181 1.510 1.00 72.33 H new ATOM 0 HB3 GLU A 40 -16.328 10.158 -0.215 1.00 72.33 H new ATOM 0 HG2 GLU A 40 -18.514 10.325 -0.665 1.00 41.34 H new ATOM 0 HG3 GLU A 40 -18.861 8.881 0.265 1.00 41.34 H new ATOM 647 N LEU A 41 -15.062 7.947 -1.284 1.00 31.00 N ATOM 648 CA LEU A 41 -14.709 7.473 -2.618 1.00 61.24 C ATOM 649 C LEU A 41 -14.781 5.951 -2.691 1.00 63.15 C ATOM 650 O LEU A 41 -15.265 5.390 -3.673 1.00 3.41 O ATOM 651 CB LEU A 41 -13.304 7.947 -2.994 1.00 73.32 C ATOM 652 CG LEU A 41 -13.085 9.461 -2.997 1.00 14.10 C ATOM 653 CD1 LEU A 41 -11.609 9.786 -2.836 1.00 42.22 C ATOM 654 CD2 LEU A 41 -13.633 10.077 -4.276 1.00 11.51 C ATOM 0 H LEU A 41 -14.345 8.517 -0.836 1.00 31.00 H new ATOM 0 HA LEU A 41 -15.427 7.887 -3.326 1.00 61.24 H new ATOM 0 HB2 LEU A 41 -12.593 7.498 -2.300 1.00 73.32 H new ATOM 0 HB3 LEU A 41 -13.066 7.564 -3.986 1.00 73.32 H new ATOM 0 HG LEU A 41 -13.625 9.889 -2.152 1.00 14.10 H new ATOM 0 HD11 LEU A 41 -11.472 10.867 -2.840 1.00 42.22 H new ATOM 0 HD12 LEU A 41 -11.248 9.378 -1.892 1.00 42.22 H new ATOM 0 HD13 LEU A 41 -11.048 9.346 -3.660 1.00 42.22 H new ATOM 0 HD21 LEU A 41 -13.468 11.154 -4.261 1.00 11.51 H new ATOM 0 HD22 LEU A 41 -13.122 9.644 -5.136 1.00 11.51 H new ATOM 0 HD23 LEU A 41 -14.702 9.874 -4.349 1.00 11.51 H new ATOM 666 N GLU A 42 -14.299 5.290 -1.642 1.00 31.25 N ATOM 667 CA GLU A 42 -14.310 3.833 -1.588 1.00 15.11 C ATOM 668 C GLU A 42 -15.736 3.303 -1.474 1.00 74.23 C ATOM 669 O GLU A 42 -16.012 2.152 -1.811 1.00 34.43 O ATOM 670 CB GLU A 42 -13.474 3.338 -0.407 1.00 12.10 C ATOM 671 CG GLU A 42 -13.342 1.825 -0.345 1.00 35.32 C ATOM 672 CD GLU A 42 -14.399 1.184 0.533 1.00 40.40 C ATOM 673 OE1 GLU A 42 -14.373 1.416 1.760 1.00 1.42 O ATOM 674 OE2 GLU A 42 -15.252 0.448 -0.007 1.00 51.52 O ATOM 0 H GLU A 42 -13.897 5.740 -0.820 1.00 31.25 H new ATOM 0 HA GLU A 42 -13.875 3.458 -2.514 1.00 15.11 H new ATOM 0 HB2 GLU A 42 -12.479 3.779 -0.467 1.00 12.10 H new ATOM 0 HB3 GLU A 42 -13.924 3.693 0.520 1.00 12.10 H new ATOM 0 HG2 GLU A 42 -13.415 1.416 -1.353 1.00 35.32 H new ATOM 0 HG3 GLU A 42 -12.354 1.565 0.034 1.00 35.32 H new ATOM 681 N ARG A 43 -16.639 4.153 -0.993 1.00 12.23 N ATOM 682 CA ARG A 43 -18.037 3.771 -0.831 1.00 41.11 C ATOM 683 C ARG A 43 -18.819 4.011 -2.120 1.00 41.31 C ATOM 684 O ARG A 43 -19.766 3.285 -2.427 1.00 24.44 O ATOM 685 CB ARG A 43 -18.673 4.557 0.317 1.00 45.31 C ATOM 686 CG ARG A 43 -18.521 3.885 1.672 1.00 25.30 C ATOM 687 CD ARG A 43 -19.760 3.086 2.041 1.00 61.31 C ATOM 688 NE ARG A 43 -19.423 1.778 2.598 1.00 34.54 N ATOM 689 CZ ARG A 43 -20.320 0.949 3.119 1.00 1.14 C ATOM 690 NH1 ARG A 43 -21.601 1.290 3.155 1.00 13.35 N ATOM 691 NH2 ARG A 43 -19.936 -0.225 3.606 1.00 33.43 N ATOM 0 H ARG A 43 -16.427 5.110 -0.709 1.00 12.23 H new ATOM 0 HA ARG A 43 -18.072 2.707 -0.597 1.00 41.11 H new ATOM 0 HB2 ARG A 43 -18.223 5.549 0.360 1.00 45.31 H new ATOM 0 HB3 ARG A 43 -19.733 4.697 0.107 1.00 45.31 H new ATOM 0 HG2 ARG A 43 -17.653 3.226 1.657 1.00 25.30 H new ATOM 0 HG3 ARG A 43 -18.334 4.641 2.435 1.00 25.30 H new ATOM 0 HD2 ARG A 43 -20.351 3.647 2.765 1.00 61.31 H new ATOM 0 HD3 ARG A 43 -20.383 2.954 1.156 1.00 61.31 H new ATOM 0 HE ARG A 43 -18.446 1.486 2.586 1.00 34.54 H new ATOM 0 HH11 ARG A 43 -21.900 2.191 2.782 1.00 13.35 H new ATOM 0 HH12 ARG A 43 -22.288 0.651 3.556 1.00 13.35 H new ATOM 0 HH21 ARG A 43 -18.952 -0.491 3.580 1.00 33.43 H new ATOM 0 HH22 ARG A 43 -20.625 -0.861 4.006 1.00 33.43 H new ATOM 705 N PHE A 44 -18.417 5.032 -2.868 1.00 24.22 N ATOM 706 CA PHE A 44 -19.080 5.368 -4.123 1.00 75.43 C ATOM 707 C PHE A 44 -18.759 4.339 -5.201 1.00 2.53 C ATOM 708 O PHE A 44 -19.645 3.642 -5.694 1.00 34.23 O ATOM 709 CB PHE A 44 -18.658 6.762 -4.590 1.00 65.40 C ATOM 710 CG PHE A 44 -19.552 7.860 -4.087 1.00 4.31 C ATOM 711 CD1 PHE A 44 -20.917 7.820 -4.319 1.00 32.15 C ATOM 712 CD2 PHE A 44 -19.026 8.931 -3.382 1.00 12.32 C ATOM 713 CE1 PHE A 44 -21.742 8.829 -3.859 1.00 43.12 C ATOM 714 CE2 PHE A 44 -19.846 9.943 -2.919 1.00 61.34 C ATOM 715 CZ PHE A 44 -21.206 9.891 -3.156 1.00 4.34 C ATOM 0 H PHE A 44 -17.635 5.642 -2.628 1.00 24.22 H new ATOM 0 HA PHE A 44 -20.156 5.361 -3.949 1.00 75.43 H new ATOM 0 HB2 PHE A 44 -17.638 6.954 -4.258 1.00 65.40 H new ATOM 0 HB3 PHE A 44 -18.648 6.784 -5.680 1.00 65.40 H new ATOM 0 HD1 PHE A 44 -21.341 6.991 -4.866 1.00 32.15 H new ATOM 0 HD2 PHE A 44 -17.964 8.975 -3.192 1.00 12.32 H new ATOM 0 HE1 PHE A 44 -22.804 8.787 -4.049 1.00 43.12 H new ATOM 0 HE2 PHE A 44 -19.424 10.773 -2.373 1.00 61.34 H new ATOM 0 HZ PHE A 44 -21.849 10.679 -2.793 1.00 4.34 H new ATOM 725 N ALA A 45 -17.482 4.249 -5.563 1.00 52.31 N ATOM 726 CA ALA A 45 -17.042 3.304 -6.582 1.00 54.31 C ATOM 727 C ALA A 45 -15.622 3.615 -7.043 1.00 73.34 C ATOM 728 O ALA A 45 -15.176 3.130 -8.082 1.00 22.11 O ATOM 729 CB ALA A 45 -17.998 3.319 -7.765 1.00 73.24 C ATOM 0 H ALA A 45 -16.735 4.819 -5.166 1.00 52.31 H new ATOM 0 HA ALA A 45 -17.043 2.307 -6.141 1.00 54.31 H new ATOM 0 HB1 ALA A 45 -17.657 2.608 -8.518 1.00 73.24 H new ATOM 0 HB2 ALA A 45 -18.997 3.040 -7.429 1.00 73.24 H new ATOM 0 HB3 ALA A 45 -18.027 4.319 -8.197 1.00 73.24 H new ATOM 735 N VAL A 46 -14.918 4.430 -6.264 1.00 44.21 N ATOM 736 CA VAL A 46 -13.547 4.806 -6.591 1.00 15.14 C ATOM 737 C VAL A 46 -12.589 4.422 -5.471 1.00 4.42 C ATOM 738 O VAL A 46 -12.934 4.493 -4.292 1.00 21.43 O ATOM 739 CB VAL A 46 -13.430 6.319 -6.857 1.00 43.33 C ATOM 740 CG1 VAL A 46 -11.988 6.697 -7.163 1.00 1.33 C ATOM 741 CG2 VAL A 46 -14.352 6.733 -7.994 1.00 65.42 C ATOM 0 H VAL A 46 -15.274 4.843 -5.402 1.00 44.21 H new ATOM 0 HA VAL A 46 -13.277 4.263 -7.496 1.00 15.14 H new ATOM 0 HB VAL A 46 -13.738 6.854 -5.958 1.00 43.33 H new ATOM 0 HG11 VAL A 46 -11.924 7.769 -7.348 1.00 1.33 H new ATOM 0 HG12 VAL A 46 -11.356 6.437 -6.314 1.00 1.33 H new ATOM 0 HG13 VAL A 46 -11.650 6.156 -8.046 1.00 1.33 H new ATOM 0 HG21 VAL A 46 -14.256 7.805 -8.168 1.00 65.42 H new ATOM 0 HG22 VAL A 46 -14.078 6.192 -8.900 1.00 65.42 H new ATOM 0 HG23 VAL A 46 -15.383 6.499 -7.730 1.00 65.42 H new ATOM 751 N ASN A 47 -11.381 4.013 -5.848 1.00 42.34 N ATOM 752 CA ASN A 47 -10.370 3.616 -4.873 1.00 13.53 C ATOM 753 C ASN A 47 -9.695 4.839 -4.261 1.00 53.23 C ATOM 754 O ASN A 47 -9.421 5.831 -4.936 1.00 35.32 O ATOM 755 CB ASN A 47 -9.322 2.718 -5.533 1.00 43.45 C ATOM 756 CG ASN A 47 -9.941 1.702 -6.475 1.00 24.13 C ATOM 757 OD1 ASN A 47 -10.214 2.004 -7.637 1.00 11.12 O ATOM 758 ND2 ASN A 47 -10.163 0.491 -5.977 1.00 21.53 N ATOM 0 H ASN A 47 -11.079 3.948 -6.820 1.00 42.34 H new ATOM 0 HA ASN A 47 -10.866 3.061 -4.077 1.00 13.53 H new ATOM 0 HB2 ASN A 47 -8.613 3.336 -6.084 1.00 43.45 H new ATOM 0 HB3 ASN A 47 -8.757 2.196 -4.761 1.00 43.45 H new ATOM 0 HD21 ASN A 47 -10.576 -0.234 -6.564 1.00 21.53 H new ATOM 0 HD22 ASN A 47 -9.921 0.286 -5.008 1.00 21.53 H new ATOM 765 N PRO A 48 -9.421 4.769 -2.950 1.00 4.21 N ATOM 766 CA PRO A 48 -8.773 5.860 -2.217 1.00 62.41 C ATOM 767 C PRO A 48 -7.312 6.039 -2.614 1.00 3.14 C ATOM 768 O PRO A 48 -6.646 6.972 -2.167 1.00 43.35 O ATOM 769 CB PRO A 48 -8.880 5.419 -0.756 1.00 52.01 C ATOM 770 CG PRO A 48 -8.976 3.934 -0.814 1.00 51.30 C ATOM 771 CD PRO A 48 -9.720 3.617 -2.083 1.00 65.13 C ATOM 0 HA PRO A 48 -9.242 6.822 -2.421 1.00 62.41 H new ATOM 0 HB2 PRO A 48 -8.010 5.737 -0.182 1.00 52.01 H new ATOM 0 HB3 PRO A 48 -9.756 5.854 -0.275 1.00 52.01 H new ATOM 0 HG2 PRO A 48 -7.986 3.479 -0.818 1.00 51.30 H new ATOM 0 HG3 PRO A 48 -9.503 3.543 0.056 1.00 51.30 H new ATOM 0 HD2 PRO A 48 -9.379 2.681 -2.526 1.00 65.13 H new ATOM 0 HD3 PRO A 48 -10.791 3.514 -1.906 1.00 65.13 H new ATOM 779 N GLY A 49 -6.818 5.138 -3.458 1.00 22.25 N ATOM 780 CA GLY A 49 -5.438 5.215 -3.902 1.00 53.22 C ATOM 781 C GLY A 49 -5.219 6.307 -4.928 1.00 30.23 C ATOM 782 O GLY A 49 -4.080 6.631 -5.268 1.00 11.41 O ATOM 0 H GLY A 49 -7.349 4.356 -3.842 1.00 22.25 H new ATOM 0 HA2 GLY A 49 -4.793 5.394 -3.042 1.00 53.22 H new ATOM 0 HA3 GLY A 49 -5.143 4.256 -4.328 1.00 53.22 H new ATOM 786 N LEU A 50 -6.311 6.878 -5.425 1.00 2.35 N ATOM 787 CA LEU A 50 -6.233 7.941 -6.422 1.00 73.15 C ATOM 788 C LEU A 50 -5.997 9.293 -5.757 1.00 33.20 C ATOM 789 O LEU A 50 -5.968 10.328 -6.425 1.00 62.40 O ATOM 790 CB LEU A 50 -7.518 7.985 -7.252 1.00 43.44 C ATOM 791 CG LEU A 50 -7.851 6.717 -8.040 1.00 24.50 C ATOM 792 CD1 LEU A 50 -9.213 6.846 -8.706 1.00 42.44 C ATOM 793 CD2 LEU A 50 -6.773 6.436 -9.077 1.00 43.15 C ATOM 0 H LEU A 50 -7.261 6.623 -5.154 1.00 2.35 H new ATOM 0 HA LEU A 50 -5.391 7.728 -7.080 1.00 73.15 H new ATOM 0 HB2 LEU A 50 -8.351 8.203 -6.584 1.00 43.44 H new ATOM 0 HB3 LEU A 50 -7.446 8.816 -7.953 1.00 43.44 H new ATOM 0 HG LEU A 50 -7.887 5.878 -7.345 1.00 24.50 H new ATOM 0 HD11 LEU A 50 -9.434 5.935 -9.262 1.00 42.44 H new ATOM 0 HD12 LEU A 50 -9.977 7.000 -7.944 1.00 42.44 H new ATOM 0 HD13 LEU A 50 -9.205 7.695 -9.389 1.00 42.44 H new ATOM 0 HD21 LEU A 50 -7.026 5.530 -9.628 1.00 43.15 H new ATOM 0 HD22 LEU A 50 -6.706 7.276 -9.769 1.00 43.15 H new ATOM 0 HD23 LEU A 50 -5.814 6.301 -8.577 1.00 43.15 H new ATOM 805 N LEU A 51 -5.828 9.278 -4.440 1.00 21.01 N ATOM 806 CA LEU A 51 -5.592 10.504 -3.684 1.00 32.01 C ATOM 807 C LEU A 51 -4.099 10.802 -3.583 1.00 33.14 C ATOM 808 O LEU A 51 -3.700 11.939 -3.337 1.00 30.44 O ATOM 809 CB LEU A 51 -6.196 10.387 -2.284 1.00 24.21 C ATOM 810 CG LEU A 51 -7.722 10.324 -2.214 1.00 61.31 C ATOM 811 CD1 LEU A 51 -8.175 9.870 -0.836 1.00 40.32 C ATOM 812 CD2 LEU A 51 -8.327 11.678 -2.557 1.00 20.21 C ATOM 0 H LEU A 51 -5.850 8.431 -3.873 1.00 21.01 H new ATOM 0 HA LEU A 51 -6.073 11.327 -4.213 1.00 32.01 H new ATOM 0 HB2 LEU A 51 -5.793 9.492 -1.810 1.00 24.21 H new ATOM 0 HB3 LEU A 51 -5.860 11.239 -1.693 1.00 24.21 H new ATOM 0 HG LEU A 51 -8.071 9.596 -2.946 1.00 61.31 H new ATOM 0 HD11 LEU A 51 -9.264 9.831 -0.805 1.00 40.32 H new ATOM 0 HD12 LEU A 51 -7.771 8.879 -0.628 1.00 40.32 H new ATOM 0 HD13 LEU A 51 -7.816 10.573 -0.085 1.00 40.32 H new ATOM 0 HD21 LEU A 51 -9.414 11.615 -2.502 1.00 20.21 H new ATOM 0 HD22 LEU A 51 -7.971 12.426 -1.849 1.00 20.21 H new ATOM 0 HD23 LEU A 51 -8.030 11.964 -3.566 1.00 20.21 H new ATOM 824 N GLU A 52 -3.281 9.773 -3.778 1.00 23.04 N ATOM 825 CA GLU A 52 -1.832 9.927 -3.711 1.00 61.12 C ATOM 826 C GLU A 52 -1.241 10.130 -5.102 1.00 4.13 C ATOM 827 O GLU A 52 -0.092 9.771 -5.361 1.00 43.23 O ATOM 828 CB GLU A 52 -1.197 8.702 -3.049 1.00 13.01 C ATOM 829 CG GLU A 52 -1.586 7.387 -3.703 1.00 0.42 C ATOM 830 CD GLU A 52 -0.906 6.193 -3.062 1.00 43.23 C ATOM 831 OE1 GLU A 52 -0.301 6.362 -1.983 1.00 75.12 O ATOM 832 OE2 GLU A 52 -0.979 5.087 -3.640 1.00 21.44 O ATOM 0 H GLU A 52 -3.596 8.825 -3.983 1.00 23.04 H new ATOM 0 HA GLU A 52 -1.614 10.810 -3.110 1.00 61.12 H new ATOM 0 HB2 GLU A 52 -0.112 8.805 -3.077 1.00 13.01 H new ATOM 0 HB3 GLU A 52 -1.487 8.676 -1.999 1.00 13.01 H new ATOM 0 HG2 GLU A 52 -2.667 7.261 -3.642 1.00 0.42 H new ATOM 0 HG3 GLU A 52 -1.329 7.422 -4.762 1.00 0.42 H new ATOM 839 N THR A 53 -2.035 10.708 -5.998 1.00 74.10 N ATOM 840 CA THR A 53 -1.594 10.958 -7.364 1.00 5.12 C ATOM 841 C THR A 53 -2.397 12.084 -8.004 1.00 24.15 C ATOM 842 O THR A 53 -3.584 11.928 -8.290 1.00 41.05 O ATOM 843 CB THR A 53 -1.717 9.694 -8.235 1.00 40.12 C ATOM 844 OG1 THR A 53 -2.776 9.856 -9.185 1.00 53.32 O ATOM 845 CG2 THR A 53 -1.984 8.469 -7.374 1.00 51.41 C ATOM 0 H THR A 53 -2.989 11.012 -5.801 1.00 74.10 H new ATOM 0 HA THR A 53 -0.545 11.250 -7.309 1.00 5.12 H new ATOM 0 HB THR A 53 -0.775 9.549 -8.763 1.00 40.12 H new ATOM 0 HG1 THR A 53 -2.414 10.224 -10.018 1.00 53.32 H new ATOM 0 HG21 THR A 53 -2.067 7.588 -8.010 1.00 51.41 H new ATOM 0 HG22 THR A 53 -1.162 8.332 -6.671 1.00 51.41 H new ATOM 0 HG23 THR A 53 -2.914 8.607 -6.823 1.00 51.41 H new ATOM 853 N SER A 54 -1.742 13.219 -8.229 1.00 3.40 N ATOM 854 CA SER A 54 -2.397 14.372 -8.834 1.00 20.32 C ATOM 855 C SER A 54 -3.200 13.958 -10.064 1.00 63.41 C ATOM 856 O SER A 54 -4.294 14.468 -10.303 1.00 30.20 O ATOM 857 CB SER A 54 -1.361 15.430 -9.221 1.00 42.21 C ATOM 858 OG SER A 54 -1.049 15.358 -10.601 1.00 52.12 O ATOM 0 H SER A 54 -0.758 13.364 -8.001 1.00 3.40 H new ATOM 0 HA SER A 54 -3.082 14.795 -8.099 1.00 20.32 H new ATOM 0 HB2 SER A 54 -1.744 16.422 -8.983 1.00 42.21 H new ATOM 0 HB3 SER A 54 -0.455 15.288 -8.632 1.00 42.21 H new ATOM 0 HG SER A 54 -0.386 16.045 -10.823 1.00 52.12 H new ATOM 864 N GLU A 55 -2.648 13.030 -10.839 1.00 63.12 N ATOM 865 CA GLU A 55 -3.312 12.548 -12.044 1.00 30.51 C ATOM 866 C GLU A 55 -4.692 11.986 -11.716 1.00 32.14 C ATOM 867 O GLU A 55 -5.629 12.112 -12.504 1.00 23.11 O ATOM 868 CB GLU A 55 -2.462 11.475 -12.727 1.00 61.12 C ATOM 869 CG GLU A 55 -1.723 11.976 -13.957 1.00 13.34 C ATOM 870 CD GLU A 55 -1.148 10.847 -14.792 1.00 33.54 C ATOM 871 OE1 GLU A 55 -0.863 9.774 -14.221 1.00 73.35 O ATOM 872 OE2 GLU A 55 -0.984 11.038 -16.015 1.00 64.10 O ATOM 0 H GLU A 55 -1.743 12.597 -10.654 1.00 63.12 H new ATOM 0 HA GLU A 55 -3.434 13.392 -12.723 1.00 30.51 H new ATOM 0 HB2 GLU A 55 -1.737 11.087 -12.011 1.00 61.12 H new ATOM 0 HB3 GLU A 55 -3.104 10.642 -13.013 1.00 61.12 H new ATOM 0 HG2 GLU A 55 -2.404 12.566 -14.570 1.00 13.34 H new ATOM 0 HG3 GLU A 55 -0.917 12.640 -13.646 1.00 13.34 H new ATOM 879 N GLY A 56 -4.810 11.365 -10.547 1.00 64.24 N ATOM 880 CA GLY A 56 -6.078 10.792 -10.135 1.00 34.10 C ATOM 881 C GLY A 56 -7.025 11.830 -9.568 1.00 54.33 C ATOM 882 O GLY A 56 -8.224 11.809 -9.852 1.00 43.42 O ATOM 0 H GLY A 56 -4.050 11.248 -9.877 1.00 64.24 H new ATOM 0 HA2 GLY A 56 -6.548 10.304 -10.989 1.00 34.10 H new ATOM 0 HA3 GLY A 56 -5.899 10.021 -9.386 1.00 34.10 H new ATOM 886 N CYS A 57 -6.490 12.739 -8.760 1.00 10.13 N ATOM 887 CA CYS A 57 -7.297 13.789 -8.149 1.00 53.24 C ATOM 888 C CYS A 57 -8.057 14.578 -9.209 1.00 53.11 C ATOM 889 O CYS A 57 -9.147 15.092 -8.953 1.00 64.30 O ATOM 890 CB CYS A 57 -6.412 14.730 -7.331 1.00 20.45 C ATOM 891 SG CYS A 57 -6.673 14.626 -5.545 1.00 33.34 S ATOM 0 H CYS A 57 -5.501 12.770 -8.513 1.00 10.13 H new ATOM 0 HA CYS A 57 -8.022 13.316 -7.486 1.00 53.24 H new ATOM 0 HB2 CYS A 57 -5.367 14.508 -7.548 1.00 20.45 H new ATOM 0 HB3 CYS A 57 -6.594 15.755 -7.655 1.00 20.45 H new ATOM 0 HG CYS A 57 -6.420 15.780 -5.002 1.00 33.34 H new ATOM 897 N ARG A 58 -7.475 14.671 -10.400 1.00 34.13 N ATOM 898 CA ARG A 58 -8.097 15.401 -11.499 1.00 50.24 C ATOM 899 C ARG A 58 -9.276 14.620 -12.072 1.00 52.40 C ATOM 900 O ARG A 58 -10.264 15.205 -12.514 1.00 32.10 O ATOM 901 CB ARG A 58 -7.072 15.678 -12.599 1.00 22.11 C ATOM 902 CG ARG A 58 -7.397 16.901 -13.441 1.00 70.34 C ATOM 903 CD ARG A 58 -6.435 17.047 -14.609 1.00 43.31 C ATOM 904 NE ARG A 58 -6.423 15.860 -15.459 1.00 21.23 N ATOM 905 CZ ARG A 58 -5.687 15.752 -16.561 1.00 55.33 C ATOM 906 NH1 ARG A 58 -4.908 16.754 -16.942 1.00 0.10 N ATOM 907 NH2 ARG A 58 -5.732 14.638 -17.282 1.00 64.42 N ATOM 0 H ARG A 58 -6.574 14.250 -10.629 1.00 34.13 H new ATOM 0 HA ARG A 58 -8.467 16.349 -11.109 1.00 50.24 H new ATOM 0 HB2 ARG A 58 -6.090 15.811 -12.144 1.00 22.11 H new ATOM 0 HB3 ARG A 58 -7.006 14.806 -13.250 1.00 22.11 H new ATOM 0 HG2 ARG A 58 -8.417 16.824 -13.817 1.00 70.34 H new ATOM 0 HG3 ARG A 58 -7.353 17.795 -12.818 1.00 70.34 H new ATOM 0 HD2 ARG A 58 -6.716 17.916 -15.204 1.00 43.31 H new ATOM 0 HD3 ARG A 58 -5.430 17.232 -14.230 1.00 43.31 H new ATOM 0 HE ARG A 58 -7.011 15.070 -15.193 1.00 21.23 H new ATOM 0 HH11 ARG A 58 -4.872 17.611 -16.389 1.00 0.10 H new ATOM 0 HH12 ARG A 58 -4.344 16.669 -17.788 1.00 0.10 H new ATOM 0 HH21 ARG A 58 -6.331 13.866 -16.990 1.00 64.42 H new ATOM 0 HH22 ARG A 58 -5.168 14.555 -18.128 1.00 64.42 H new ATOM 921 N GLN A 59 -9.162 13.295 -12.063 1.00 40.21 N ATOM 922 CA GLN A 59 -10.218 12.435 -12.583 1.00 43.02 C ATOM 923 C GLN A 59 -11.409 12.397 -11.630 1.00 3.23 C ATOM 924 O GLN A 59 -12.561 12.389 -12.062 1.00 34.40 O ATOM 925 CB GLN A 59 -9.685 11.019 -12.810 1.00 50.24 C ATOM 926 CG GLN A 59 -10.557 10.182 -13.731 1.00 2.53 C ATOM 927 CD GLN A 59 -10.970 8.863 -13.106 1.00 25.43 C ATOM 928 OE1 GLN A 59 -10.293 8.346 -12.217 1.00 1.55 O ATOM 929 NE2 GLN A 59 -12.086 8.313 -13.569 1.00 3.31 N ATOM 0 H GLN A 59 -8.350 12.795 -11.702 1.00 40.21 H new ATOM 0 HA GLN A 59 -10.552 12.847 -13.535 1.00 43.02 H new ATOM 0 HB2 GLN A 59 -8.681 11.081 -13.230 1.00 50.24 H new ATOM 0 HB3 GLN A 59 -9.597 10.514 -11.848 1.00 50.24 H new ATOM 0 HG2 GLN A 59 -11.449 10.750 -13.995 1.00 2.53 H new ATOM 0 HG3 GLN A 59 -10.017 9.987 -14.658 1.00 2.53 H new ATOM 0 HE21 GLN A 59 -12.615 8.777 -14.307 1.00 3.31 H new ATOM 0 HE22 GLN A 59 -12.414 7.426 -13.187 1.00 3.31 H new ATOM 938 N ILE A 60 -11.121 12.371 -10.333 1.00 3.01 N ATOM 939 CA ILE A 60 -12.168 12.335 -9.320 1.00 52.14 C ATOM 940 C ILE A 60 -13.117 13.520 -9.467 1.00 41.13 C ATOM 941 O ILE A 60 -14.333 13.377 -9.331 1.00 12.20 O ATOM 942 CB ILE A 60 -11.577 12.338 -7.898 1.00 1.32 C ATOM 943 CG1 ILE A 60 -10.634 11.147 -7.711 1.00 33.21 C ATOM 944 CG2 ILE A 60 -12.689 12.308 -6.861 1.00 42.43 C ATOM 945 CD1 ILE A 60 -9.784 11.238 -6.463 1.00 32.32 C ATOM 0 H ILE A 60 -10.172 12.374 -9.959 1.00 3.01 H new ATOM 0 HA ILE A 60 -12.722 11.408 -9.472 1.00 52.14 H new ATOM 0 HB ILE A 60 -11.005 13.256 -7.761 1.00 1.32 H new ATOM 0 HG12 ILE A 60 -11.223 10.230 -7.674 1.00 33.21 H new ATOM 0 HG13 ILE A 60 -9.981 11.071 -8.581 1.00 33.21 H new ATOM 0 HG21 ILE A 60 -12.254 12.310 -5.861 1.00 42.43 H new ATOM 0 HG22 ILE A 60 -13.324 13.186 -6.983 1.00 42.43 H new ATOM 0 HG23 ILE A 60 -13.287 11.406 -6.994 1.00 42.43 H new ATOM 0 HD11 ILE A 60 -9.141 10.360 -6.396 1.00 32.32 H new ATOM 0 HD12 ILE A 60 -9.168 12.136 -6.507 1.00 32.32 H new ATOM 0 HD13 ILE A 60 -10.429 11.283 -5.586 1.00 32.32 H new ATOM 957 N LEU A 61 -12.554 14.690 -9.746 1.00 45.00 N ATOM 958 CA LEU A 61 -13.349 15.901 -9.913 1.00 71.02 C ATOM 959 C LEU A 61 -14.094 15.884 -11.245 1.00 74.15 C ATOM 960 O LEU A 61 -15.229 16.350 -11.338 1.00 13.23 O ATOM 961 CB LEU A 61 -12.453 17.139 -9.833 1.00 10.33 C ATOM 962 CG LEU A 61 -11.665 17.314 -8.535 1.00 71.34 C ATOM 963 CD1 LEU A 61 -10.366 18.059 -8.796 1.00 60.04 C ATOM 964 CD2 LEU A 61 -12.504 18.048 -7.498 1.00 51.14 C ATOM 0 H LEU A 61 -11.550 14.826 -9.861 1.00 45.00 H new ATOM 0 HA LEU A 61 -14.082 15.938 -9.107 1.00 71.02 H new ATOM 0 HB2 LEU A 61 -11.746 17.105 -10.662 1.00 10.33 H new ATOM 0 HB3 LEU A 61 -13.074 18.023 -9.979 1.00 10.33 H new ATOM 0 HG LEU A 61 -11.421 16.326 -8.144 1.00 71.34 H new ATOM 0 HD11 LEU A 61 -9.818 18.174 -7.861 1.00 60.04 H new ATOM 0 HD12 LEU A 61 -9.759 17.495 -9.505 1.00 60.04 H new ATOM 0 HD13 LEU A 61 -10.588 19.043 -9.210 1.00 60.04 H new ATOM 0 HD21 LEU A 61 -11.928 18.164 -6.580 1.00 51.14 H new ATOM 0 HD22 LEU A 61 -12.778 19.031 -7.881 1.00 51.14 H new ATOM 0 HD23 LEU A 61 -13.408 17.475 -7.289 1.00 51.14 H new ATOM 976 N GLY A 62 -13.448 15.340 -12.271 1.00 21.33 N ATOM 977 CA GLY A 62 -14.066 15.270 -13.583 1.00 61.05 C ATOM 978 C GLY A 62 -15.109 14.175 -13.674 1.00 13.41 C ATOM 979 O GLY A 62 -15.922 14.159 -14.598 1.00 32.42 O ATOM 0 H GLY A 62 -12.508 14.947 -12.218 1.00 21.33 H new ATOM 0 HA2 GLY A 62 -14.529 16.229 -13.815 1.00 61.05 H new ATOM 0 HA3 GLY A 62 -13.296 15.098 -14.335 1.00 61.05 H new ATOM 983 N GLN A 63 -15.084 13.254 -12.715 1.00 35.12 N ATOM 984 CA GLN A 63 -16.034 12.148 -12.694 1.00 71.20 C ATOM 985 C GLN A 63 -17.323 12.551 -11.983 1.00 3.33 C ATOM 986 O GLN A 63 -18.419 12.197 -12.417 1.00 51.32 O ATOM 987 CB GLN A 63 -15.416 10.931 -12.004 1.00 73.21 C ATOM 988 CG GLN A 63 -15.169 9.760 -12.942 1.00 74.54 C ATOM 989 CD GLN A 63 -15.810 8.476 -12.453 1.00 24.21 C ATOM 990 OE1 GLN A 63 -16.895 8.492 -11.872 1.00 23.11 O ATOM 991 NE2 GLN A 63 -15.139 7.354 -12.687 1.00 41.23 N ATOM 0 H GLN A 63 -14.417 13.252 -11.943 1.00 35.12 H new ATOM 0 HA GLN A 63 -16.275 11.889 -13.725 1.00 71.20 H new ATOM 0 HB2 GLN A 63 -14.471 11.224 -11.546 1.00 73.21 H new ATOM 0 HB3 GLN A 63 -16.074 10.607 -11.198 1.00 73.21 H new ATOM 0 HG2 GLN A 63 -15.559 10.003 -13.931 1.00 74.54 H new ATOM 0 HG3 GLN A 63 -14.095 9.607 -13.051 1.00 74.54 H new ATOM 0 HE21 GLN A 63 -14.243 7.388 -13.172 1.00 41.23 H new ATOM 0 HE22 GLN A 63 -15.520 6.459 -12.381 1.00 41.23 H new ATOM 1000 N LEU A 64 -17.182 13.292 -10.891 1.00 72.02 N ATOM 1001 CA LEU A 64 -18.335 13.744 -10.119 1.00 51.31 C ATOM 1002 C LEU A 64 -19.009 14.934 -10.792 1.00 30.12 C ATOM 1003 O LEU A 64 -20.170 15.237 -10.521 1.00 73.15 O ATOM 1004 CB LEU A 64 -17.908 14.120 -8.699 1.00 23.32 C ATOM 1005 CG LEU A 64 -17.185 13.033 -7.904 1.00 11.05 C ATOM 1006 CD1 LEU A 64 -16.584 13.611 -6.634 1.00 45.22 C ATOM 1007 CD2 LEU A 64 -18.136 11.891 -7.575 1.00 0.03 C ATOM 0 H LEU A 64 -16.281 13.593 -10.519 1.00 72.02 H new ATOM 0 HA LEU A 64 -19.052 12.924 -10.071 1.00 51.31 H new ATOM 0 HB2 LEU A 64 -17.258 14.993 -8.756 1.00 23.32 H new ATOM 0 HB3 LEU A 64 -18.796 14.420 -8.142 1.00 23.32 H new ATOM 0 HG LEU A 64 -16.375 12.639 -8.518 1.00 11.05 H new ATOM 0 HD11 LEU A 64 -16.074 12.822 -6.081 1.00 45.22 H new ATOM 0 HD12 LEU A 64 -15.870 14.393 -6.892 1.00 45.22 H new ATOM 0 HD13 LEU A 64 -17.376 14.033 -6.016 1.00 45.22 H new ATOM 0 HD21 LEU A 64 -17.604 11.126 -7.009 1.00 0.03 H new ATOM 0 HD22 LEU A 64 -18.968 12.270 -6.981 1.00 0.03 H new ATOM 0 HD23 LEU A 64 -18.518 11.458 -8.499 1.00 0.03 H new ATOM 1019 N GLN A 65 -18.272 15.604 -11.673 1.00 52.20 N ATOM 1020 CA GLN A 65 -18.800 16.762 -12.387 1.00 15.43 C ATOM 1021 C GLN A 65 -20.306 16.634 -12.593 1.00 41.44 C ATOM 1022 O GLN A 65 -21.093 17.462 -12.132 1.00 25.02 O ATOM 1023 CB GLN A 65 -18.101 16.917 -13.738 1.00 42.31 C ATOM 1024 CG GLN A 65 -17.200 18.138 -13.821 1.00 44.02 C ATOM 1025 CD GLN A 65 -17.047 18.657 -15.236 1.00 3.44 C ATOM 1026 OE1 GLN A 65 -16.959 17.880 -16.189 1.00 55.03 O ATOM 1027 NE2 GLN A 65 -17.014 19.976 -15.385 1.00 40.14 N ATOM 0 H GLN A 65 -17.309 15.365 -11.909 1.00 52.20 H new ATOM 0 HA GLN A 65 -18.608 17.648 -11.782 1.00 15.43 H new ATOM 0 HB2 GLN A 65 -17.508 16.024 -13.935 1.00 42.31 H new ATOM 0 HB3 GLN A 65 -18.855 16.978 -14.523 1.00 42.31 H new ATOM 0 HG2 GLN A 65 -17.607 18.928 -13.191 1.00 44.02 H new ATOM 0 HG3 GLN A 65 -16.217 17.887 -13.422 1.00 44.02 H new ATOM 0 HE21 GLN A 65 -17.090 20.583 -14.569 1.00 40.14 H new ATOM 0 HE22 GLN A 65 -16.913 20.382 -16.315 1.00 40.14 H new ATOM 1036 N PRO A 66 -20.719 15.573 -13.301 1.00 54.41 N ATOM 1037 CA PRO A 66 -22.134 15.312 -13.583 1.00 1.43 C ATOM 1038 C PRO A 66 -22.909 14.903 -12.336 1.00 63.53 C ATOM 1039 O PRO A 66 -23.990 15.426 -12.065 1.00 21.34 O ATOM 1040 CB PRO A 66 -22.088 14.156 -14.586 1.00 0.34 C ATOM 1041 CG PRO A 66 -20.794 13.469 -14.314 1.00 11.14 C ATOM 1042 CD PRO A 66 -19.838 14.546 -13.880 1.00 12.23 C ATOM 0 HA PRO A 66 -22.645 16.200 -13.956 1.00 1.43 H new ATOM 0 HB2 PRO A 66 -22.932 13.480 -14.449 1.00 0.34 H new ATOM 0 HB3 PRO A 66 -22.135 14.520 -15.612 1.00 0.34 H new ATOM 0 HG2 PRO A 66 -20.909 12.713 -13.537 1.00 11.14 H new ATOM 0 HG3 PRO A 66 -20.428 12.958 -15.205 1.00 11.14 H new ATOM 0 HD2 PRO A 66 -19.120 14.175 -13.149 1.00 12.23 H new ATOM 0 HD3 PRO A 66 -19.264 14.936 -14.721 1.00 12.23 H new ATOM 1050 N SER A 67 -22.349 13.966 -11.577 1.00 4.43 N ATOM 1051 CA SER A 67 -22.990 13.485 -10.358 1.00 2.21 C ATOM 1052 C SER A 67 -23.358 14.649 -9.443 1.00 12.14 C ATOM 1053 O SER A 67 -24.270 14.542 -8.620 1.00 25.14 O ATOM 1054 CB SER A 67 -22.066 12.514 -9.621 1.00 31.50 C ATOM 1055 OG SER A 67 -21.809 11.360 -10.402 1.00 71.22 O ATOM 0 H SER A 67 -21.453 13.525 -11.785 1.00 4.43 H new ATOM 0 HA SER A 67 -23.905 12.963 -10.638 1.00 2.21 H new ATOM 0 HB2 SER A 67 -21.126 13.012 -9.383 1.00 31.50 H new ATOM 0 HB3 SER A 67 -22.521 12.222 -8.675 1.00 31.50 H new ATOM 0 HG SER A 67 -21.215 10.757 -9.909 1.00 71.22 H new ATOM 1061 N LEU A 68 -22.645 15.759 -9.592 1.00 15.31 N ATOM 1062 CA LEU A 68 -22.896 16.945 -8.780 1.00 51.42 C ATOM 1063 C LEU A 68 -24.320 17.453 -8.985 1.00 64.33 C ATOM 1064 O LEU A 68 -24.941 17.973 -8.058 1.00 31.13 O ATOM 1065 CB LEU A 68 -21.894 18.047 -9.127 1.00 51.44 C ATOM 1066 CG LEU A 68 -20.447 17.796 -8.698 1.00 23.35 C ATOM 1067 CD1 LEU A 68 -19.489 18.603 -9.561 1.00 22.34 C ATOM 1068 CD2 LEU A 68 -20.259 18.138 -7.228 1.00 70.31 C ATOM 0 H LEU A 68 -21.888 15.863 -10.268 1.00 15.31 H new ATOM 0 HA LEU A 68 -22.775 16.670 -7.732 1.00 51.42 H new ATOM 0 HB2 LEU A 68 -21.911 18.200 -10.206 1.00 51.44 H new ATOM 0 HB3 LEU A 68 -22.232 18.976 -8.668 1.00 51.44 H new ATOM 0 HG LEU A 68 -20.226 16.738 -8.835 1.00 23.35 H new ATOM 0 HD11 LEU A 68 -18.464 18.413 -9.242 1.00 22.34 H new ATOM 0 HD12 LEU A 68 -19.605 18.310 -10.605 1.00 22.34 H new ATOM 0 HD13 LEU A 68 -19.711 19.665 -9.455 1.00 22.34 H new ATOM 0 HD21 LEU A 68 -19.224 17.953 -6.941 1.00 70.31 H new ATOM 0 HD22 LEU A 68 -20.499 19.189 -7.065 1.00 70.31 H new ATOM 0 HD23 LEU A 68 -20.920 17.517 -6.623 1.00 70.31 H new ATOM 1080 N GLN A 69 -24.829 17.297 -10.202 1.00 62.54 N ATOM 1081 CA GLN A 69 -26.180 17.740 -10.526 1.00 24.03 C ATOM 1082 C GLN A 69 -27.220 16.881 -9.815 1.00 51.20 C ATOM 1083 O GLN A 69 -28.176 17.397 -9.235 1.00 30.20 O ATOM 1084 CB GLN A 69 -26.406 17.688 -12.039 1.00 55.24 C ATOM 1085 CG GLN A 69 -27.252 18.835 -12.567 1.00 32.24 C ATOM 1086 CD GLN A 69 -27.660 18.642 -14.014 1.00 45.41 C ATOM 1087 OE1 GLN A 69 -26.842 18.269 -14.856 1.00 33.34 O ATOM 1088 NE2 GLN A 69 -28.929 18.894 -14.311 1.00 54.54 N ATOM 0 H GLN A 69 -24.327 16.868 -10.979 1.00 62.54 H new ATOM 0 HA GLN A 69 -26.290 18.769 -10.183 1.00 24.03 H new ATOM 0 HB2 GLN A 69 -25.440 17.698 -12.543 1.00 55.24 H new ATOM 0 HB3 GLN A 69 -26.888 16.744 -12.294 1.00 55.24 H new ATOM 0 HG2 GLN A 69 -28.146 18.935 -11.952 1.00 32.24 H new ATOM 0 HG3 GLN A 69 -26.694 19.767 -12.472 1.00 32.24 H new ATOM 0 HE21 GLN A 69 -29.572 19.201 -13.581 1.00 54.54 H new ATOM 0 HE22 GLN A 69 -29.261 18.781 -15.269 1.00 54.54 H new ATOM 1097 N THR A 70 -27.028 15.566 -9.863 1.00 21.21 N ATOM 1098 CA THR A 70 -27.950 14.636 -9.224 1.00 61.33 C ATOM 1099 C THR A 70 -27.401 14.148 -7.888 1.00 52.12 C ATOM 1100 O THR A 70 -27.546 12.978 -7.537 1.00 2.21 O ATOM 1101 CB THR A 70 -28.234 13.419 -10.125 1.00 11.11 C ATOM 1102 OG1 THR A 70 -27.002 12.814 -10.533 1.00 53.10 O ATOM 1103 CG2 THR A 70 -29.034 13.829 -11.352 1.00 60.44 C ATOM 0 H THR A 70 -26.242 15.122 -10.338 1.00 21.21 H new ATOM 0 HA THR A 70 -28.880 15.179 -9.055 1.00 61.33 H new ATOM 0 HB THR A 70 -28.820 12.700 -9.553 1.00 11.11 H new ATOM 0 HG1 THR A 70 -27.191 12.040 -11.104 1.00 53.10 H new ATOM 0 HG21 THR A 70 -29.222 12.953 -11.973 1.00 60.44 H new ATOM 0 HG22 THR A 70 -29.984 14.263 -11.039 1.00 60.44 H new ATOM 0 HG23 THR A 70 -28.470 14.565 -11.925 1.00 60.44 H new ATOM 1111 N GLY A 71 -26.770 15.053 -7.146 1.00 12.22 N ATOM 1112 CA GLY A 71 -26.210 14.695 -5.857 1.00 51.22 C ATOM 1113 C GLY A 71 -26.350 15.805 -4.834 1.00 32.34 C ATOM 1114 O GLY A 71 -26.401 16.982 -5.190 1.00 60.14 O ATOM 0 H GLY A 71 -26.637 16.028 -7.415 1.00 12.22 H new ATOM 0 HA2 GLY A 71 -26.706 13.798 -5.485 1.00 51.22 H new ATOM 0 HA3 GLY A 71 -25.155 14.448 -5.979 1.00 51.22 H new ATOM 1118 N SER A 72 -26.416 15.430 -3.561 1.00 52.05 N ATOM 1119 CA SER A 72 -26.558 16.404 -2.484 1.00 41.41 C ATOM 1120 C SER A 72 -25.197 16.759 -1.891 1.00 73.31 C ATOM 1121 O SER A 72 -24.157 16.467 -2.478 1.00 11.23 O ATOM 1122 CB SER A 72 -27.476 15.855 -1.390 1.00 41.33 C ATOM 1123 OG SER A 72 -26.837 14.823 -0.657 1.00 4.03 O ATOM 0 H SER A 72 -26.374 14.460 -3.250 1.00 52.05 H new ATOM 0 HA SER A 72 -27.001 17.309 -2.900 1.00 41.41 H new ATOM 0 HB2 SER A 72 -27.764 16.661 -0.714 1.00 41.33 H new ATOM 0 HB3 SER A 72 -28.393 15.473 -1.839 1.00 41.33 H new ATOM 0 HG SER A 72 -26.688 15.120 0.265 1.00 4.03 H new ATOM 1129 N GLU A 73 -25.216 17.393 -0.722 1.00 2.23 N ATOM 1130 CA GLU A 73 -23.985 17.789 -0.050 1.00 70.32 C ATOM 1131 C GLU A 73 -23.001 16.625 0.015 1.00 51.45 C ATOM 1132 O GLU A 73 -21.790 16.816 -0.088 1.00 71.32 O ATOM 1133 CB GLU A 73 -24.289 18.295 1.363 1.00 1.12 C ATOM 1134 CG GLU A 73 -25.026 17.284 2.225 1.00 34.12 C ATOM 1135 CD GLU A 73 -25.474 17.866 3.552 1.00 13.44 C ATOM 1136 OE1 GLU A 73 -26.487 18.597 3.566 1.00 44.11 O ATOM 1137 OE2 GLU A 73 -24.813 17.590 4.574 1.00 31.11 O ATOM 0 H GLU A 73 -26.069 17.643 -0.222 1.00 2.23 H new ATOM 0 HA GLU A 73 -23.530 18.594 -0.626 1.00 70.32 H new ATOM 0 HB2 GLU A 73 -23.353 18.564 1.853 1.00 1.12 H new ATOM 0 HB3 GLU A 73 -24.886 19.205 1.294 1.00 1.12 H new ATOM 0 HG2 GLU A 73 -25.896 16.915 1.682 1.00 34.12 H new ATOM 0 HG3 GLU A 73 -24.378 16.427 2.409 1.00 34.12 H new ATOM 1144 N GLU A 74 -23.532 15.419 0.189 1.00 4.21 N ATOM 1145 CA GLU A 74 -22.700 14.224 0.269 1.00 52.24 C ATOM 1146 C GLU A 74 -21.662 14.206 -0.850 1.00 40.11 C ATOM 1147 O GLU A 74 -20.542 13.727 -0.666 1.00 2.13 O ATOM 1148 CB GLU A 74 -23.567 12.965 0.194 1.00 30.24 C ATOM 1149 CG GLU A 74 -23.973 12.423 1.555 1.00 20.35 C ATOM 1150 CD GLU A 74 -24.993 13.302 2.252 1.00 53.21 C ATOM 1151 OE1 GLU A 74 -25.837 13.900 1.552 1.00 22.21 O ATOM 1152 OE2 GLU A 74 -24.947 13.392 3.496 1.00 54.04 O ATOM 0 H GLU A 74 -24.533 15.244 0.277 1.00 4.21 H new ATOM 0 HA GLU A 74 -22.178 14.241 1.226 1.00 52.24 H new ATOM 0 HB2 GLU A 74 -24.465 13.187 -0.382 1.00 30.24 H new ATOM 0 HB3 GLU A 74 -23.023 12.191 -0.348 1.00 30.24 H new ATOM 0 HG2 GLU A 74 -24.384 11.421 1.435 1.00 20.35 H new ATOM 0 HG3 GLU A 74 -23.088 12.331 2.184 1.00 20.35 H new ATOM 1159 N LEU A 75 -22.042 14.731 -2.009 1.00 61.04 N ATOM 1160 CA LEU A 75 -21.146 14.776 -3.159 1.00 24.35 C ATOM 1161 C LEU A 75 -20.467 16.137 -3.266 1.00 24.43 C ATOM 1162 O LEU A 75 -19.352 16.248 -3.779 1.00 1.31 O ATOM 1163 CB LEU A 75 -21.918 14.477 -4.445 1.00 72.00 C ATOM 1164 CG LEU A 75 -21.138 13.758 -5.545 1.00 5.10 C ATOM 1165 CD1 LEU A 75 -21.444 12.268 -5.531 1.00 43.11 C ATOM 1166 CD2 LEU A 75 -21.459 14.356 -6.907 1.00 62.43 C ATOM 0 H LEU A 75 -22.965 15.132 -2.178 1.00 61.04 H new ATOM 0 HA LEU A 75 -20.377 14.016 -3.019 1.00 24.35 H new ATOM 0 HB2 LEU A 75 -22.788 13.872 -4.190 1.00 72.00 H new ATOM 0 HB3 LEU A 75 -22.291 15.419 -4.848 1.00 72.00 H new ATOM 0 HG LEU A 75 -20.073 13.892 -5.353 1.00 5.10 H new ATOM 0 HD11 LEU A 75 -20.879 11.773 -6.321 1.00 43.11 H new ATOM 0 HD12 LEU A 75 -21.162 11.848 -4.566 1.00 43.11 H new ATOM 0 HD13 LEU A 75 -22.510 12.114 -5.696 1.00 43.11 H new ATOM 0 HD21 LEU A 75 -20.894 13.831 -7.677 1.00 62.43 H new ATOM 0 HD22 LEU A 75 -22.526 14.255 -7.107 1.00 62.43 H new ATOM 0 HD23 LEU A 75 -21.187 15.412 -6.914 1.00 62.43 H new ATOM 1178 N ARG A 76 -21.143 17.171 -2.777 1.00 35.45 N ATOM 1179 CA ARG A 76 -20.604 18.526 -2.817 1.00 20.05 C ATOM 1180 C ARG A 76 -19.300 18.615 -2.030 1.00 13.21 C ATOM 1181 O ARG A 76 -18.280 19.070 -2.549 1.00 14.42 O ATOM 1182 CB ARG A 76 -21.621 19.519 -2.254 1.00 32.12 C ATOM 1183 CG ARG A 76 -21.565 20.888 -2.913 1.00 75.21 C ATOM 1184 CD ARG A 76 -22.647 21.811 -2.374 1.00 31.23 C ATOM 1185 NE ARG A 76 -22.359 22.257 -1.014 1.00 32.41 N ATOM 1186 CZ ARG A 76 -23.228 22.918 -0.258 1.00 64.31 C ATOM 1187 NH1 ARG A 76 -24.433 23.209 -0.726 1.00 11.44 N ATOM 1188 NH2 ARG A 76 -22.891 23.291 0.971 1.00 3.10 N ATOM 0 H ARG A 76 -22.065 17.097 -2.348 1.00 35.45 H new ATOM 0 HA ARG A 76 -20.399 18.778 -3.857 1.00 20.05 H new ATOM 0 HB2 ARG A 76 -22.623 19.108 -2.375 1.00 32.12 H new ATOM 0 HB3 ARG A 76 -21.450 19.633 -1.184 1.00 32.12 H new ATOM 0 HG2 ARG A 76 -20.586 21.335 -2.742 1.00 75.21 H new ATOM 0 HG3 ARG A 76 -21.682 20.779 -3.991 1.00 75.21 H new ATOM 0 HD2 ARG A 76 -22.742 22.678 -3.027 1.00 31.23 H new ATOM 0 HD3 ARG A 76 -23.606 21.293 -2.390 1.00 31.23 H new ATOM 0 HE ARG A 76 -21.440 22.050 -0.623 1.00 32.41 H new ATOM 0 HH11 ARG A 76 -24.696 22.925 -1.670 1.00 11.44 H new ATOM 0 HH12 ARG A 76 -25.098 23.717 -0.142 1.00 11.44 H new ATOM 0 HH21 ARG A 76 -21.964 23.070 1.335 1.00 3.10 H new ATOM 0 HH22 ARG A 76 -23.559 23.799 1.551 1.00 3.10 H new ATOM 1202 N SER A 77 -19.341 18.178 -0.775 1.00 22.54 N ATOM 1203 CA SER A 77 -18.164 18.213 0.085 1.00 74.31 C ATOM 1204 C SER A 77 -16.958 17.601 -0.620 1.00 1.45 C ATOM 1205 O SER A 77 -15.852 18.140 -0.565 1.00 62.34 O ATOM 1206 CB SER A 77 -18.440 17.467 1.391 1.00 2.42 C ATOM 1207 OG SER A 77 -19.043 18.319 2.349 1.00 14.31 O ATOM 0 H SER A 77 -20.176 17.796 -0.332 1.00 22.54 H new ATOM 0 HA SER A 77 -17.939 19.255 0.311 1.00 74.31 H new ATOM 0 HB2 SER A 77 -19.092 16.616 1.196 1.00 2.42 H new ATOM 0 HB3 SER A 77 -17.507 17.069 1.790 1.00 2.42 H new ATOM 0 HG SER A 77 -18.741 18.068 3.247 1.00 14.31 H new ATOM 1213 N LEU A 78 -17.178 16.471 -1.283 1.00 34.44 N ATOM 1214 CA LEU A 78 -16.111 15.784 -2.001 1.00 63.32 C ATOM 1215 C LEU A 78 -15.430 16.721 -2.993 1.00 12.41 C ATOM 1216 O LEU A 78 -14.234 16.993 -2.885 1.00 1.03 O ATOM 1217 CB LEU A 78 -16.666 14.562 -2.734 1.00 62.43 C ATOM 1218 CG LEU A 78 -16.185 13.200 -2.230 1.00 30.33 C ATOM 1219 CD1 LEU A 78 -16.285 13.126 -0.715 1.00 50.14 C ATOM 1220 CD2 LEU A 78 -16.986 12.080 -2.876 1.00 2.13 C ATOM 0 H LEU A 78 -18.087 16.011 -1.338 1.00 34.44 H new ATOM 0 HA LEU A 78 -15.370 15.456 -1.272 1.00 63.32 H new ATOM 0 HB2 LEU A 78 -17.754 14.587 -2.669 1.00 62.43 H new ATOM 0 HB3 LEU A 78 -16.408 14.648 -3.789 1.00 62.43 H new ATOM 0 HG LEU A 78 -15.139 13.079 -2.510 1.00 30.33 H new ATOM 0 HD11 LEU A 78 -15.939 12.150 -0.375 1.00 50.14 H new ATOM 0 HD12 LEU A 78 -15.666 13.906 -0.271 1.00 50.14 H new ATOM 0 HD13 LEU A 78 -17.322 13.269 -0.411 1.00 50.14 H new ATOM 0 HD21 LEU A 78 -16.630 11.118 -2.506 1.00 2.13 H new ATOM 0 HD22 LEU A 78 -18.041 12.197 -2.627 1.00 2.13 H new ATOM 0 HD23 LEU A 78 -16.862 12.121 -3.958 1.00 2.13 H new ATOM 1232 N TYR A 79 -16.199 17.214 -3.957 1.00 52.24 N ATOM 1233 CA TYR A 79 -15.671 18.121 -4.969 1.00 51.35 C ATOM 1234 C TYR A 79 -14.847 19.232 -4.327 1.00 73.11 C ATOM 1235 O TYR A 79 -13.770 19.579 -4.809 1.00 74.02 O ATOM 1236 CB TYR A 79 -16.812 18.723 -5.789 1.00 73.41 C ATOM 1237 CG TYR A 79 -16.385 19.209 -7.156 1.00 70.12 C ATOM 1238 CD1 TYR A 79 -15.879 20.490 -7.333 1.00 2.34 C ATOM 1239 CD2 TYR A 79 -16.488 18.384 -8.270 1.00 24.53 C ATOM 1240 CE1 TYR A 79 -15.488 20.937 -8.581 1.00 62.30 C ATOM 1241 CE2 TYR A 79 -16.098 18.823 -9.521 1.00 23.14 C ATOM 1242 CZ TYR A 79 -15.599 20.100 -9.672 1.00 55.13 C ATOM 1243 OH TYR A 79 -15.210 20.541 -10.915 1.00 43.41 O ATOM 0 H TYR A 79 -17.191 17.001 -4.059 1.00 52.24 H new ATOM 0 HA TYR A 79 -15.021 17.549 -5.631 1.00 51.35 H new ATOM 0 HB2 TYR A 79 -17.597 17.976 -5.907 1.00 73.41 H new ATOM 0 HB3 TYR A 79 -17.246 19.556 -5.236 1.00 73.41 H new ATOM 0 HD1 TYR A 79 -15.790 21.148 -6.481 1.00 2.34 H new ATOM 0 HD2 TYR A 79 -16.879 17.384 -8.156 1.00 24.53 H new ATOM 0 HE1 TYR A 79 -15.097 21.937 -8.702 1.00 62.30 H new ATOM 0 HE2 TYR A 79 -16.184 18.169 -10.376 1.00 23.14 H new ATOM 0 HH TYR A 79 -15.352 19.829 -11.574 1.00 43.41 H new ATOM 1253 N ASN A 80 -15.363 19.787 -3.235 1.00 34.32 N ATOM 1254 CA ASN A 80 -14.678 20.860 -2.525 1.00 64.41 C ATOM 1255 C ASN A 80 -13.317 20.393 -2.016 1.00 24.13 C ATOM 1256 O ASN A 80 -12.276 20.906 -2.431 1.00 12.43 O ATOM 1257 CB ASN A 80 -15.531 21.353 -1.354 1.00 4.14 C ATOM 1258 CG ASN A 80 -16.546 22.396 -1.778 1.00 71.24 C ATOM 1259 OD1 ASN A 80 -16.708 23.423 -1.121 1.00 74.54 O ATOM 1260 ND2 ASN A 80 -17.237 22.135 -2.882 1.00 43.11 N ATOM 0 H ASN A 80 -16.254 19.511 -2.823 1.00 34.32 H new ATOM 0 HA ASN A 80 -14.523 21.682 -3.224 1.00 64.41 H new ATOM 0 HB2 ASN A 80 -16.050 20.507 -0.904 1.00 4.14 H new ATOM 0 HB3 ASN A 80 -14.881 21.773 -0.586 1.00 4.14 H new ATOM 0 HD21 ASN A 80 -17.935 22.800 -3.216 1.00 43.11 H new ATOM 0 HD22 ASN A 80 -17.070 21.270 -3.396 1.00 43.11 H new ATOM 1267 N THR A 81 -13.332 19.416 -1.115 1.00 0.25 N ATOM 1268 CA THR A 81 -12.100 18.879 -0.549 1.00 15.43 C ATOM 1269 C THR A 81 -11.126 18.465 -1.646 1.00 20.00 C ATOM 1270 O THR A 81 -9.991 18.941 -1.693 1.00 42.45 O ATOM 1271 CB THR A 81 -12.381 17.665 0.356 1.00 71.23 C ATOM 1272 OG1 THR A 81 -13.409 17.987 1.301 1.00 10.44 O ATOM 1273 CG2 THR A 81 -11.122 17.239 1.095 1.00 62.44 C ATOM 0 H THR A 81 -14.184 18.980 -0.761 1.00 0.25 H new ATOM 0 HA THR A 81 -11.654 19.674 0.049 1.00 15.43 H new ATOM 0 HB THR A 81 -12.711 16.838 -0.273 1.00 71.23 H new ATOM 0 HG1 THR A 81 -14.285 17.914 0.868 1.00 10.44 H new ATOM 0 HG21 THR A 81 -11.345 16.380 1.728 1.00 62.44 H new ATOM 0 HG22 THR A 81 -10.351 16.968 0.374 1.00 62.44 H new ATOM 0 HG23 THR A 81 -10.767 18.063 1.714 1.00 62.44 H new ATOM 1281 N ILE A 82 -11.576 17.579 -2.528 1.00 44.12 N ATOM 1282 CA ILE A 82 -10.743 17.103 -3.625 1.00 33.43 C ATOM 1283 C ILE A 82 -10.130 18.268 -4.395 1.00 63.42 C ATOM 1284 O ILE A 82 -8.955 18.234 -4.761 1.00 11.51 O ATOM 1285 CB ILE A 82 -11.547 16.224 -4.602 1.00 62.31 C ATOM 1286 CG1 ILE A 82 -12.141 15.020 -3.867 1.00 22.03 C ATOM 1287 CG2 ILE A 82 -10.663 15.766 -5.753 1.00 64.54 C ATOM 1288 CD1 ILE A 82 -13.526 14.645 -4.346 1.00 53.20 C ATOM 0 H ILE A 82 -12.513 17.176 -2.504 1.00 44.12 H new ATOM 0 HA ILE A 82 -9.948 16.505 -3.181 1.00 33.43 H new ATOM 0 HB ILE A 82 -12.365 16.816 -5.012 1.00 62.31 H new ATOM 0 HG12 ILE A 82 -11.478 14.164 -3.992 1.00 22.03 H new ATOM 0 HG13 ILE A 82 -12.181 15.239 -2.800 1.00 22.03 H new ATOM 0 HG21 ILE A 82 -11.245 15.146 -6.435 1.00 64.54 H new ATOM 0 HG22 ILE A 82 -10.283 16.636 -6.289 1.00 64.54 H new ATOM 0 HG23 ILE A 82 -9.826 15.187 -5.361 1.00 64.54 H new ATOM 0 HD11 ILE A 82 -13.885 13.784 -3.782 1.00 53.20 H new ATOM 0 HD12 ILE A 82 -14.203 15.486 -4.195 1.00 53.20 H new ATOM 0 HD13 ILE A 82 -13.489 14.394 -5.406 1.00 53.20 H new ATOM 1300 N ALA A 83 -10.932 19.300 -4.635 1.00 12.12 N ATOM 1301 CA ALA A 83 -10.468 20.477 -5.357 1.00 30.31 C ATOM 1302 C ALA A 83 -9.232 21.076 -4.695 1.00 50.13 C ATOM 1303 O ALA A 83 -8.270 21.443 -5.369 1.00 71.21 O ATOM 1304 CB ALA A 83 -11.577 21.515 -5.444 1.00 72.04 C ATOM 0 H ALA A 83 -11.907 19.344 -4.339 1.00 12.12 H new ATOM 0 HA ALA A 83 -10.194 20.168 -6.366 1.00 30.31 H new ATOM 0 HB1 ALA A 83 -11.216 22.389 -5.986 1.00 72.04 H new ATOM 0 HB2 ALA A 83 -12.433 21.090 -5.969 1.00 72.04 H new ATOM 0 HB3 ALA A 83 -11.878 21.811 -4.439 1.00 72.04 H new ATOM 1310 N VAL A 84 -9.264 21.171 -3.369 1.00 24.12 N ATOM 1311 CA VAL A 84 -8.145 21.725 -2.614 1.00 15.14 C ATOM 1312 C VAL A 84 -6.924 20.815 -2.697 1.00 70.54 C ATOM 1313 O VAL A 84 -5.818 21.268 -2.994 1.00 21.45 O ATOM 1314 CB VAL A 84 -8.516 21.936 -1.135 1.00 72.34 C ATOM 1315 CG1 VAL A 84 -7.385 22.632 -0.394 1.00 25.44 C ATOM 1316 CG2 VAL A 84 -9.808 22.730 -1.018 1.00 53.12 C ATOM 0 H VAL A 84 -10.052 20.872 -2.795 1.00 24.12 H new ATOM 0 HA VAL A 84 -7.907 22.690 -3.061 1.00 15.14 H new ATOM 0 HB VAL A 84 -8.673 20.960 -0.676 1.00 72.34 H new ATOM 0 HG11 VAL A 84 -7.666 22.772 0.650 1.00 25.44 H new ATOM 0 HG12 VAL A 84 -6.484 22.021 -0.448 1.00 25.44 H new ATOM 0 HG13 VAL A 84 -7.193 23.602 -0.852 1.00 25.44 H new ATOM 0 HG21 VAL A 84 -10.055 22.870 0.034 1.00 53.12 H new ATOM 0 HG22 VAL A 84 -9.682 23.703 -1.493 1.00 53.12 H new ATOM 0 HG23 VAL A 84 -10.614 22.187 -1.511 1.00 53.12 H new ATOM 1326 N LEU A 85 -7.131 19.531 -2.431 1.00 71.01 N ATOM 1327 CA LEU A 85 -6.047 18.556 -2.474 1.00 22.11 C ATOM 1328 C LEU A 85 -5.398 18.525 -3.854 1.00 64.22 C ATOM 1329 O LEU A 85 -4.177 18.633 -3.979 1.00 52.32 O ATOM 1330 CB LEU A 85 -6.571 17.165 -2.115 1.00 42.44 C ATOM 1331 CG LEU A 85 -5.524 16.156 -1.639 1.00 1.22 C ATOM 1332 CD1 LEU A 85 -5.421 16.168 -0.122 1.00 55.25 C ATOM 1333 CD2 LEU A 85 -5.863 14.760 -2.141 1.00 42.30 C ATOM 0 H LEU A 85 -8.040 19.140 -2.183 1.00 71.01 H new ATOM 0 HA LEU A 85 -5.294 18.854 -1.744 1.00 22.11 H new ATOM 0 HB2 LEU A 85 -7.324 17.273 -1.334 1.00 42.44 H new ATOM 0 HB3 LEU A 85 -7.074 16.751 -2.989 1.00 42.44 H new ATOM 0 HG LEU A 85 -4.557 16.444 -2.050 1.00 1.22 H new ATOM 0 HD11 LEU A 85 -4.671 15.444 0.198 1.00 55.25 H new ATOM 0 HD12 LEU A 85 -5.131 17.163 0.215 1.00 55.25 H new ATOM 0 HD13 LEU A 85 -6.387 15.905 0.310 1.00 55.25 H new ATOM 0 HD21 LEU A 85 -5.108 14.055 -1.793 1.00 42.30 H new ATOM 0 HD22 LEU A 85 -6.840 14.463 -1.759 1.00 42.30 H new ATOM 0 HD23 LEU A 85 -5.884 14.760 -3.231 1.00 42.30 H new ATOM 1345 N TYR A 86 -6.221 18.382 -4.887 1.00 63.03 N ATOM 1346 CA TYR A 86 -5.726 18.338 -6.258 1.00 70.30 C ATOM 1347 C TYR A 86 -4.738 19.471 -6.518 1.00 64.13 C ATOM 1348 O TYR A 86 -3.642 19.247 -7.032 1.00 63.12 O ATOM 1349 CB TYR A 86 -6.891 18.426 -7.245 1.00 70.11 C ATOM 1350 CG TYR A 86 -6.459 18.695 -8.669 1.00 25.41 C ATOM 1351 CD1 TYR A 86 -5.706 17.765 -9.375 1.00 74.21 C ATOM 1352 CD2 TYR A 86 -6.804 19.880 -9.308 1.00 22.21 C ATOM 1353 CE1 TYR A 86 -5.309 18.007 -10.676 1.00 72.24 C ATOM 1354 CE2 TYR A 86 -6.412 20.130 -10.609 1.00 32.12 C ATOM 1355 CZ TYR A 86 -5.665 19.190 -11.288 1.00 64.41 C ATOM 1356 OH TYR A 86 -5.272 19.435 -12.584 1.00 51.30 O ATOM 0 H TYR A 86 -7.234 18.295 -4.801 1.00 63.03 H new ATOM 0 HA TYR A 86 -5.208 17.390 -6.400 1.00 70.30 H new ATOM 0 HB2 TYR A 86 -7.453 17.493 -7.215 1.00 70.11 H new ATOM 0 HB3 TYR A 86 -7.569 19.217 -6.924 1.00 70.11 H new ATOM 0 HD1 TYR A 86 -5.426 16.837 -8.899 1.00 74.21 H new ATOM 0 HD2 TYR A 86 -7.388 20.618 -8.779 1.00 22.21 H new ATOM 0 HE1 TYR A 86 -4.723 17.274 -11.210 1.00 72.24 H new ATOM 0 HE2 TYR A 86 -6.689 21.056 -11.091 1.00 32.12 H new ATOM 0 HH TYR A 86 -5.606 20.312 -12.867 1.00 51.30 H new ATOM 1366 N CYS A 87 -5.134 20.686 -6.157 1.00 24.45 N ATOM 1367 CA CYS A 87 -4.284 21.856 -6.351 1.00 52.32 C ATOM 1368 C CYS A 87 -2.939 21.672 -5.654 1.00 54.13 C ATOM 1369 O CYS A 87 -1.888 21.954 -6.227 1.00 24.55 O ATOM 1370 CB CYS A 87 -4.979 23.110 -5.820 1.00 75.13 C ATOM 1371 SG CYS A 87 -6.113 23.880 -6.999 1.00 32.33 S ATOM 0 H CYS A 87 -6.038 20.887 -5.729 1.00 24.45 H new ATOM 0 HA CYS A 87 -4.106 21.973 -7.420 1.00 52.32 H new ATOM 0 HB2 CYS A 87 -5.531 22.851 -4.917 1.00 75.13 H new ATOM 0 HB3 CYS A 87 -4.221 23.838 -5.532 1.00 75.13 H new ATOM 0 HG CYS A 87 -6.809 24.798 -6.396 1.00 32.33 H new ATOM 1377 N VAL A 88 -2.981 21.198 -4.413 1.00 20.02 N ATOM 1378 CA VAL A 88 -1.767 20.977 -3.638 1.00 41.21 C ATOM 1379 C VAL A 88 -0.741 20.182 -4.438 1.00 23.33 C ATOM 1380 O VAL A 88 0.448 20.506 -4.439 1.00 73.34 O ATOM 1381 CB VAL A 88 -2.068 20.231 -2.325 1.00 43.45 C ATOM 1382 CG1 VAL A 88 -0.793 20.040 -1.515 1.00 55.33 C ATOM 1383 CG2 VAL A 88 -3.116 20.977 -1.515 1.00 74.14 C ATOM 0 H VAL A 88 -3.843 20.960 -3.923 1.00 20.02 H new ATOM 0 HA VAL A 88 -1.358 21.960 -3.403 1.00 41.21 H new ATOM 0 HB VAL A 88 -2.466 19.246 -2.571 1.00 43.45 H new ATOM 0 HG11 VAL A 88 -1.025 19.511 -0.591 1.00 55.33 H new ATOM 0 HG12 VAL A 88 -0.077 19.459 -2.096 1.00 55.33 H new ATOM 0 HG13 VAL A 88 -0.363 21.013 -1.278 1.00 55.33 H new ATOM 0 HG21 VAL A 88 -3.316 20.435 -0.591 1.00 74.14 H new ATOM 0 HG22 VAL A 88 -2.749 21.976 -1.278 1.00 74.14 H new ATOM 0 HG23 VAL A 88 -4.036 21.056 -2.095 1.00 74.14 H new ATOM 1393 N HIS A 89 -1.207 19.140 -5.119 1.00 34.41 N ATOM 1394 CA HIS A 89 -0.331 18.298 -5.926 1.00 64.41 C ATOM 1395 C HIS A 89 0.253 19.087 -7.095 1.00 42.04 C ATOM 1396 O HIS A 89 1.424 18.861 -7.399 1.00 30.14 O ATOM 1397 CB HIS A 89 -1.095 17.081 -6.448 1.00 22.52 C ATOM 1398 CG HIS A 89 -1.640 16.206 -5.362 1.00 24.05 C ATOM 1399 ND1 HIS A 89 -1.066 16.112 -4.113 1.00 44.44 N ATOM 1400 CD2 HIS A 89 -2.714 15.382 -5.344 1.00 1.15 C ATOM 1401 CE1 HIS A 89 -1.762 15.267 -3.372 1.00 35.15 C ATOM 1402 NE2 HIS A 89 -2.768 14.811 -4.097 1.00 12.12 N ATOM 0 H HIS A 89 -2.187 18.858 -5.128 1.00 34.41 H new ATOM 0 HA HIS A 89 0.489 17.958 -5.293 1.00 64.41 H new ATOM 0 HB2 HIS A 89 -1.918 17.421 -7.077 1.00 22.52 H new ATOM 0 HB3 HIS A 89 -0.433 16.491 -7.081 1.00 22.52 H new ATOM 0 HD1 HIS A 89 -0.233 16.616 -3.808 1.00 44.44 H new ATOM 0 HD2 HIS A 89 -3.400 15.207 -6.159 1.00 1.15 H new ATOM 0 HE1 HIS A 89 -1.545 14.996 -2.349 1.00 35.15 H new ATOM 1411 N GLN A 90 -0.504 19.974 -7.733 1.00 42.01 N ATOM 1412 CA GLN A 90 0.011 20.749 -8.856 1.00 61.43 C ATOM 1413 C GLN A 90 0.830 21.940 -8.366 1.00 55.13 C ATOM 1414 O GLN A 90 1.042 22.904 -9.100 1.00 55.01 O ATOM 1415 CB GLN A 90 -1.140 21.236 -9.738 1.00 52.04 C ATOM 1416 CG GLN A 90 -1.549 20.238 -10.809 1.00 5.12 C ATOM 1417 CD GLN A 90 -0.392 19.838 -11.703 1.00 14.44 C ATOM 1418 OE1 GLN A 90 0.446 20.665 -12.064 1.00 75.31 O ATOM 1419 NE2 GLN A 90 -0.339 18.561 -12.067 1.00 34.31 N ATOM 0 H GLN A 90 -1.475 20.174 -7.492 1.00 42.01 H new ATOM 0 HA GLN A 90 0.661 20.101 -9.444 1.00 61.43 H new ATOM 0 HB2 GLN A 90 -2.002 21.454 -9.108 1.00 52.04 H new ATOM 0 HB3 GLN A 90 -0.850 22.171 -10.216 1.00 52.04 H new ATOM 0 HG2 GLN A 90 -1.961 19.348 -10.333 1.00 5.12 H new ATOM 0 HG3 GLN A 90 -2.343 20.669 -11.419 1.00 5.12 H new ATOM 0 HE21 GLN A 90 -1.054 17.909 -11.745 1.00 34.31 H new ATOM 0 HE22 GLN A 90 0.417 18.233 -12.668 1.00 34.31 H new ATOM 1428 N ARG A 91 1.286 21.864 -7.120 1.00 75.11 N ATOM 1429 CA ARG A 91 2.080 22.937 -6.531 1.00 50.20 C ATOM 1430 C ARG A 91 1.212 24.157 -6.237 1.00 3.30 C ATOM 1431 O ARG A 91 1.721 25.221 -5.883 1.00 15.10 O ATOM 1432 CB ARG A 91 3.225 23.325 -7.467 1.00 50.43 C ATOM 1433 CG ARG A 91 4.578 23.392 -6.778 1.00 43.53 C ATOM 1434 CD ARG A 91 4.841 24.773 -6.200 1.00 61.55 C ATOM 1435 NE ARG A 91 6.268 25.028 -6.018 1.00 61.21 N ATOM 1436 CZ ARG A 91 6.966 24.588 -4.977 1.00 43.21 C ATOM 1437 NH1 ARG A 91 6.373 23.875 -4.030 1.00 64.22 N ATOM 1438 NH2 ARG A 91 8.262 24.862 -4.882 1.00 54.30 N ATOM 0 H ARG A 91 1.120 21.072 -6.499 1.00 75.11 H new ATOM 0 HA ARG A 91 2.496 22.574 -5.591 1.00 50.20 H new ATOM 0 HB2 ARG A 91 3.277 22.603 -8.282 1.00 50.43 H new ATOM 0 HB3 ARG A 91 3.006 24.295 -7.913 1.00 50.43 H new ATOM 0 HG2 ARG A 91 4.619 22.649 -5.981 1.00 43.53 H new ATOM 0 HG3 ARG A 91 5.363 23.139 -7.490 1.00 43.53 H new ATOM 0 HD2 ARG A 91 4.419 25.529 -6.862 1.00 61.55 H new ATOM 0 HD3 ARG A 91 4.331 24.868 -5.242 1.00 61.55 H new ATOM 0 HE ARG A 91 6.755 25.574 -6.729 1.00 61.21 H new ATOM 0 HH11 ARG A 91 5.378 23.663 -4.099 1.00 64.22 H new ATOM 0 HH12 ARG A 91 6.912 23.539 -3.232 1.00 64.22 H new ATOM 0 HH21 ARG A 91 8.722 25.411 -5.609 1.00 54.30 H new ATOM 0 HH22 ARG A 91 8.797 24.524 -4.082 1.00 54.30 H new ATOM 1452 N ILE A 92 -0.098 23.996 -6.388 1.00 15.34 N ATOM 1453 CA ILE A 92 -1.035 25.083 -6.140 1.00 70.32 C ATOM 1454 C ILE A 92 -1.448 25.128 -4.673 1.00 55.22 C ATOM 1455 O ILE A 92 -1.738 24.096 -4.067 1.00 52.42 O ATOM 1456 CB ILE A 92 -2.297 24.951 -7.013 1.00 62.10 C ATOM 1457 CG1 ILE A 92 -1.932 25.066 -8.494 1.00 31.11 C ATOM 1458 CG2 ILE A 92 -3.320 26.010 -6.630 1.00 42.51 C ATOM 1459 CD1 ILE A 92 -2.737 24.148 -9.388 1.00 21.21 C ATOM 0 H ILE A 92 -0.534 23.122 -6.681 1.00 15.34 H new ATOM 0 HA ILE A 92 -0.520 26.008 -6.399 1.00 70.32 H new ATOM 0 HB ILE A 92 -2.739 23.969 -6.842 1.00 62.10 H new ATOM 0 HG12 ILE A 92 -2.080 26.096 -8.817 1.00 31.11 H new ATOM 0 HG13 ILE A 92 -0.872 24.842 -8.617 1.00 31.11 H new ATOM 0 HG21 ILE A 92 -4.206 25.903 -7.256 1.00 42.51 H new ATOM 0 HG22 ILE A 92 -3.598 25.886 -5.583 1.00 42.51 H new ATOM 0 HG23 ILE A 92 -2.890 27.001 -6.776 1.00 42.51 H new ATOM 0 HD11 ILE A 92 -2.425 24.283 -10.424 1.00 21.21 H new ATOM 0 HD12 ILE A 92 -2.570 23.113 -9.091 1.00 21.21 H new ATOM 0 HD13 ILE A 92 -3.797 24.386 -9.294 1.00 21.21 H new ATOM 1471 N ASP A 93 -1.476 26.330 -4.108 1.00 65.11 N ATOM 1472 CA ASP A 93 -1.856 26.510 -2.711 1.00 30.45 C ATOM 1473 C ASP A 93 -2.971 27.544 -2.582 1.00 41.12 C ATOM 1474 O ASP A 93 -2.837 28.529 -1.856 1.00 61.51 O ATOM 1475 CB ASP A 93 -0.646 26.940 -1.882 1.00 73.21 C ATOM 1476 CG ASP A 93 0.508 25.964 -1.991 1.00 42.43 C ATOM 1477 OD1 ASP A 93 0.292 24.846 -2.504 1.00 41.05 O ATOM 1478 OD2 ASP A 93 1.627 26.316 -1.563 1.00 44.24 O ATOM 0 H ASP A 93 -1.240 27.194 -4.596 1.00 65.11 H new ATOM 0 HA ASP A 93 -2.223 25.556 -2.333 1.00 30.45 H new ATOM 0 HB2 ASP A 93 -0.316 27.926 -2.210 1.00 73.21 H new ATOM 0 HB3 ASP A 93 -0.941 27.034 -0.837 1.00 73.21 H new ATOM 1483 N VAL A 94 -4.072 27.311 -3.290 1.00 63.12 N ATOM 1484 CA VAL A 94 -5.210 28.222 -3.255 1.00 54.13 C ATOM 1485 C VAL A 94 -5.403 28.806 -1.860 1.00 45.14 C ATOM 1486 O VAL A 94 -5.233 28.114 -0.855 1.00 14.15 O ATOM 1487 CB VAL A 94 -6.508 27.514 -3.686 1.00 32.11 C ATOM 1488 CG1 VAL A 94 -6.479 27.209 -5.176 1.00 14.15 C ATOM 1489 CG2 VAL A 94 -6.717 26.244 -2.877 1.00 45.51 C ATOM 0 H VAL A 94 -4.200 26.499 -3.894 1.00 63.12 H new ATOM 0 HA VAL A 94 -4.993 29.027 -3.957 1.00 54.13 H new ATOM 0 HB VAL A 94 -7.347 28.182 -3.492 1.00 32.11 H new ATOM 0 HG11 VAL A 94 -7.404 26.709 -5.463 1.00 14.15 H new ATOM 0 HG12 VAL A 94 -6.381 28.139 -5.736 1.00 14.15 H new ATOM 0 HG13 VAL A 94 -5.632 26.560 -5.398 1.00 14.15 H new ATOM 0 HG21 VAL A 94 -7.639 25.757 -3.195 1.00 45.51 H new ATOM 0 HG22 VAL A 94 -5.876 25.569 -3.036 1.00 45.51 H new ATOM 0 HG23 VAL A 94 -6.786 26.494 -1.818 1.00 45.51 H new ATOM 1499 N LYS A 95 -5.758 30.085 -1.804 1.00 41.02 N ATOM 1500 CA LYS A 95 -5.976 30.765 -0.532 1.00 54.20 C ATOM 1501 C LYS A 95 -7.037 30.045 0.294 1.00 54.12 C ATOM 1502 O LYS A 95 -6.926 29.949 1.516 1.00 71.31 O ATOM 1503 CB LYS A 95 -6.398 32.216 -0.772 1.00 75.31 C ATOM 1504 CG LYS A 95 -5.648 33.218 0.088 1.00 20.32 C ATOM 1505 CD LYS A 95 -5.069 34.346 -0.748 1.00 23.32 C ATOM 1506 CE LYS A 95 -6.161 35.252 -1.297 1.00 41.52 C ATOM 1507 NZ LYS A 95 -6.199 35.236 -2.785 1.00 71.30 N ATOM 0 H LYS A 95 -5.901 30.672 -2.625 1.00 41.02 H new ATOM 0 HA LYS A 95 -5.038 30.753 0.024 1.00 54.20 H new ATOM 0 HB2 LYS A 95 -6.241 32.462 -1.822 1.00 75.31 H new ATOM 0 HB3 LYS A 95 -7.466 32.312 -0.578 1.00 75.31 H new ATOM 0 HG2 LYS A 95 -6.321 33.630 0.840 1.00 20.32 H new ATOM 0 HG3 LYS A 95 -4.845 32.711 0.623 1.00 20.32 H new ATOM 0 HD2 LYS A 95 -4.379 34.933 -0.141 1.00 23.32 H new ATOM 0 HD3 LYS A 95 -4.492 33.929 -1.573 1.00 23.32 H new ATOM 0 HE2 LYS A 95 -7.127 34.934 -0.906 1.00 41.52 H new ATOM 0 HE3 LYS A 95 -5.996 36.272 -0.949 1.00 41.52 H new ATOM 0 HZ1 LYS A 95 -6.956 35.866 -3.120 1.00 71.30 H new ATOM 0 HZ2 LYS A 95 -5.286 35.564 -3.159 1.00 71.30 H new ATOM 0 HZ3 LYS A 95 -6.382 34.268 -3.117 1.00 71.30 H new ATOM 1521 N ASP A 96 -8.064 29.540 -0.381 1.00 35.11 N ATOM 1522 CA ASP A 96 -9.145 28.827 0.291 1.00 2.24 C ATOM 1523 C ASP A 96 -9.844 27.871 -0.670 1.00 44.43 C ATOM 1524 O ASP A 96 -9.548 27.847 -1.865 1.00 52.31 O ATOM 1525 CB ASP A 96 -10.156 29.818 0.871 1.00 2.31 C ATOM 1526 CG ASP A 96 -10.436 30.974 -0.069 1.00 52.22 C ATOM 1527 OD1 ASP A 96 -11.098 30.751 -1.104 1.00 14.24 O ATOM 1528 OD2 ASP A 96 -9.996 32.103 0.232 1.00 52.42 O ATOM 0 H ASP A 96 -8.171 29.611 -1.393 1.00 35.11 H new ATOM 0 HA ASP A 96 -8.713 28.244 1.104 1.00 2.24 H new ATOM 0 HB2 ASP A 96 -11.088 29.296 1.089 1.00 2.31 H new ATOM 0 HB3 ASP A 96 -9.779 30.206 1.817 1.00 2.31 H new ATOM 1533 N THR A 97 -10.773 27.080 -0.139 1.00 62.41 N ATOM 1534 CA THR A 97 -11.513 26.121 -0.947 1.00 5.55 C ATOM 1535 C THR A 97 -12.340 26.824 -2.018 1.00 64.52 C ATOM 1536 O THR A 97 -12.805 26.198 -2.970 1.00 65.03 O ATOM 1537 CB THR A 97 -12.446 25.255 -0.079 1.00 23.14 C ATOM 1538 OG1 THR A 97 -11.709 24.674 1.002 1.00 13.24 O ATOM 1539 CG2 THR A 97 -13.092 24.156 -0.909 1.00 21.44 C ATOM 0 H THR A 97 -11.030 27.086 0.848 1.00 62.41 H new ATOM 0 HA THR A 97 -10.775 25.478 -1.427 1.00 5.55 H new ATOM 0 HB THR A 97 -13.232 25.895 0.321 1.00 23.14 H new ATOM 0 HG1 THR A 97 -11.441 25.377 1.630 1.00 13.24 H new ATOM 0 HG21 THR A 97 -13.746 23.558 -0.275 1.00 21.44 H new ATOM 0 HG22 THR A 97 -13.676 24.603 -1.713 1.00 21.44 H new ATOM 0 HG23 THR A 97 -12.317 23.518 -1.335 1.00 21.44 H new ATOM 1547 N LYS A 98 -12.520 28.131 -1.855 1.00 2.21 N ATOM 1548 CA LYS A 98 -13.290 28.922 -2.808 1.00 45.23 C ATOM 1549 C LYS A 98 -12.470 29.212 -4.061 1.00 2.11 C ATOM 1550 O LYS A 98 -12.902 28.924 -5.177 1.00 44.24 O ATOM 1551 CB LYS A 98 -13.740 30.234 -2.164 1.00 32.24 C ATOM 1552 CG LYS A 98 -15.218 30.529 -2.357 1.00 33.50 C ATOM 1553 CD LYS A 98 -15.445 31.542 -3.467 1.00 34.42 C ATOM 1554 CE LYS A 98 -16.675 31.198 -4.292 1.00 74.10 C ATOM 1555 NZ LYS A 98 -17.923 31.725 -3.674 1.00 70.51 N ATOM 0 H LYS A 98 -12.143 28.665 -1.072 1.00 2.21 H new ATOM 0 HA LYS A 98 -14.169 28.346 -3.096 1.00 45.23 H new ATOM 0 HB2 LYS A 98 -13.521 30.199 -1.097 1.00 32.24 H new ATOM 0 HB3 LYS A 98 -13.156 31.054 -2.583 1.00 32.24 H new ATOM 0 HG2 LYS A 98 -15.746 29.605 -2.593 1.00 33.50 H new ATOM 0 HG3 LYS A 98 -15.639 30.908 -1.426 1.00 33.50 H new ATOM 0 HD2 LYS A 98 -15.561 32.536 -3.036 1.00 34.42 H new ATOM 0 HD3 LYS A 98 -14.569 31.576 -4.115 1.00 34.42 H new ATOM 0 HE2 LYS A 98 -16.565 31.609 -5.296 1.00 74.10 H new ATOM 0 HE3 LYS A 98 -16.751 30.116 -4.397 1.00 74.10 H new ATOM 0 HZ1 LYS A 98 -18.739 31.469 -4.267 1.00 70.51 H new ATOM 0 HZ2 LYS A 98 -18.041 31.314 -2.726 1.00 70.51 H new ATOM 0 HZ3 LYS A 98 -17.862 32.760 -3.597 1.00 70.51 H new ATOM 1569 N GLU A 99 -11.285 29.783 -3.868 1.00 21.24 N ATOM 1570 CA GLU A 99 -10.406 30.111 -4.984 1.00 4.02 C ATOM 1571 C GLU A 99 -9.979 28.850 -5.731 1.00 13.21 C ATOM 1572 O GLU A 99 -9.504 28.917 -6.863 1.00 24.25 O ATOM 1573 CB GLU A 99 -9.170 30.864 -4.485 1.00 51.11 C ATOM 1574 CG GLU A 99 -9.180 32.344 -4.825 1.00 14.02 C ATOM 1575 CD GLU A 99 -7.991 32.757 -5.669 1.00 22.33 C ATOM 1576 OE1 GLU A 99 -6.877 32.865 -5.113 1.00 50.20 O ATOM 1577 OE2 GLU A 99 -8.171 32.974 -6.886 1.00 11.53 O ATOM 0 H GLU A 99 -10.912 30.028 -2.951 1.00 21.24 H new ATOM 0 HA GLU A 99 -10.959 30.750 -5.672 1.00 4.02 H new ATOM 0 HB2 GLU A 99 -9.097 30.749 -3.404 1.00 51.11 H new ATOM 0 HB3 GLU A 99 -8.279 30.407 -4.915 1.00 51.11 H new ATOM 0 HG2 GLU A 99 -10.100 32.584 -5.358 1.00 14.02 H new ATOM 0 HG3 GLU A 99 -9.185 32.925 -3.903 1.00 14.02 H new ATOM 1584 N ALA A 100 -10.153 27.701 -5.086 1.00 20.12 N ATOM 1585 CA ALA A 100 -9.789 26.425 -5.688 1.00 3.44 C ATOM 1586 C ALA A 100 -10.767 26.039 -6.793 1.00 61.01 C ATOM 1587 O ALA A 100 -10.378 25.455 -7.805 1.00 24.43 O ATOM 1588 CB ALA A 100 -9.733 25.337 -4.626 1.00 13.05 C ATOM 0 H ALA A 100 -10.544 27.628 -4.147 1.00 20.12 H new ATOM 0 HA ALA A 100 -8.801 26.532 -6.135 1.00 3.44 H new ATOM 0 HB1 ALA A 100 -9.460 24.389 -5.090 1.00 13.05 H new ATOM 0 HB2 ALA A 100 -8.989 25.600 -3.874 1.00 13.05 H new ATOM 0 HB3 ALA A 100 -10.710 25.241 -4.152 1.00 13.05 H new ATOM 1594 N LEU A 101 -12.038 26.368 -6.592 1.00 60.31 N ATOM 1595 CA LEU A 101 -13.073 26.055 -7.571 1.00 70.42 C ATOM 1596 C LEU A 101 -13.012 27.018 -8.754 1.00 42.40 C ATOM 1597 O LEU A 101 -13.412 26.675 -9.866 1.00 14.45 O ATOM 1598 CB LEU A 101 -14.455 26.118 -6.919 1.00 13.12 C ATOM 1599 CG LEU A 101 -15.298 24.845 -7.009 1.00 72.25 C ATOM 1600 CD1 LEU A 101 -15.587 24.498 -8.460 1.00 14.45 C ATOM 1601 CD2 LEU A 101 -14.594 23.690 -6.311 1.00 13.43 C ATOM 0 H LEU A 101 -12.377 26.851 -5.760 1.00 60.31 H new ATOM 0 HA LEU A 101 -12.897 25.044 -7.939 1.00 70.42 H new ATOM 0 HB2 LEU A 101 -14.327 26.372 -5.867 1.00 13.12 H new ATOM 0 HB3 LEU A 101 -15.014 26.933 -7.378 1.00 13.12 H new ATOM 0 HG LEU A 101 -16.248 25.024 -6.505 1.00 72.25 H new ATOM 0 HD11 LEU A 101 -16.188 23.590 -8.504 1.00 14.45 H new ATOM 0 HD12 LEU A 101 -16.133 25.317 -8.928 1.00 14.45 H new ATOM 0 HD13 LEU A 101 -14.648 24.338 -8.990 1.00 14.45 H new ATOM 0 HD21 LEU A 101 -15.208 22.792 -6.385 1.00 13.43 H new ATOM 0 HD22 LEU A 101 -13.630 23.511 -6.787 1.00 13.43 H new ATOM 0 HD23 LEU A 101 -14.440 23.939 -5.261 1.00 13.43 H new ATOM 1613 N ASP A 102 -12.508 28.221 -8.505 1.00 63.03 N ATOM 1614 CA ASP A 102 -12.391 29.231 -9.550 1.00 22.30 C ATOM 1615 C ASP A 102 -11.138 29.003 -10.390 1.00 43.43 C ATOM 1616 O ASP A 102 -11.083 29.382 -11.559 1.00 13.03 O ATOM 1617 CB ASP A 102 -12.358 30.631 -8.934 1.00 75.34 C ATOM 1618 CG ASP A 102 -13.732 31.105 -8.503 1.00 73.32 C ATOM 1619 OD1 ASP A 102 -14.601 30.248 -8.239 1.00 42.43 O ATOM 1620 OD2 ASP A 102 -13.939 32.335 -8.429 1.00 42.31 O ATOM 0 H ASP A 102 -12.174 28.521 -7.589 1.00 63.03 H new ATOM 0 HA ASP A 102 -13.262 29.148 -10.200 1.00 22.30 H new ATOM 0 HB2 ASP A 102 -11.690 30.630 -8.073 1.00 75.34 H new ATOM 0 HB3 ASP A 102 -11.945 31.334 -9.657 1.00 75.34 H new ATOM 1625 N LYS A 103 -10.131 28.382 -9.784 1.00 32.21 N ATOM 1626 CA LYS A 103 -8.878 28.102 -10.474 1.00 5.21 C ATOM 1627 C LYS A 103 -8.970 26.800 -11.263 1.00 51.50 C ATOM 1628 O LYS A 103 -8.394 26.676 -12.344 1.00 41.11 O ATOM 1629 CB LYS A 103 -7.725 28.022 -9.471 1.00 40.33 C ATOM 1630 CG LYS A 103 -6.718 29.150 -9.609 1.00 33.21 C ATOM 1631 CD LYS A 103 -7.019 30.289 -8.649 1.00 54.35 C ATOM 1632 CE LYS A 103 -5.987 31.399 -8.760 1.00 65.31 C ATOM 1633 NZ LYS A 103 -6.601 32.687 -9.188 1.00 75.01 N ATOM 0 H LYS A 103 -10.159 28.063 -8.816 1.00 32.21 H new ATOM 0 HA LYS A 103 -8.688 28.917 -11.172 1.00 5.21 H new ATOM 0 HB2 LYS A 103 -8.133 28.032 -8.460 1.00 40.33 H new ATOM 0 HB3 LYS A 103 -7.210 27.070 -9.597 1.00 40.33 H new ATOM 0 HG2 LYS A 103 -5.715 28.768 -9.419 1.00 33.21 H new ATOM 0 HG3 LYS A 103 -6.728 29.524 -10.633 1.00 33.21 H new ATOM 0 HD2 LYS A 103 -8.010 30.690 -8.859 1.00 54.35 H new ATOM 0 HD3 LYS A 103 -7.038 29.910 -7.627 1.00 54.35 H new ATOM 0 HE2 LYS A 103 -5.494 31.534 -7.797 1.00 65.31 H new ATOM 0 HE3 LYS A 103 -5.217 31.109 -9.475 1.00 65.31 H new ATOM 0 HZ1 LYS A 103 -5.854 33.396 -9.334 1.00 75.01 H new ATOM 0 HZ2 LYS A 103 -7.122 32.545 -10.077 1.00 75.01 H new ATOM 0 HZ3 LYS A 103 -7.256 33.021 -8.452 1.00 75.01 H new ATOM 1647 N ILE A 104 -9.699 25.833 -10.716 1.00 45.33 N ATOM 1648 CA ILE A 104 -9.868 24.541 -11.370 1.00 34.42 C ATOM 1649 C ILE A 104 -10.631 24.686 -12.684 1.00 61.15 C ATOM 1650 O ILE A 104 -10.454 23.890 -13.605 1.00 24.23 O ATOM 1651 CB ILE A 104 -10.613 23.544 -10.464 1.00 55.40 C ATOM 1652 CG1 ILE A 104 -10.308 22.107 -10.890 1.00 5.45 C ATOM 1653 CG2 ILE A 104 -12.112 23.807 -10.506 1.00 25.33 C ATOM 1654 CD1 ILE A 104 -9.699 21.266 -9.790 1.00 62.23 C ATOM 0 H ILE A 104 -10.182 25.920 -9.822 1.00 45.33 H new ATOM 0 HA ILE A 104 -8.868 24.157 -11.573 1.00 34.42 H new ATOM 0 HB ILE A 104 -10.268 23.680 -9.439 1.00 55.40 H new ATOM 0 HG12 ILE A 104 -11.230 21.634 -11.230 1.00 5.45 H new ATOM 0 HG13 ILE A 104 -9.627 22.126 -11.741 1.00 5.45 H new ATOM 0 HG21 ILE A 104 -12.625 23.094 -9.860 1.00 25.33 H new ATOM 0 HG22 ILE A 104 -12.313 24.821 -10.159 1.00 25.33 H new ATOM 0 HG23 ILE A 104 -12.473 23.695 -11.529 1.00 25.33 H new ATOM 0 HD11 ILE A 104 -9.510 20.260 -10.164 1.00 62.23 H new ATOM 0 HD12 ILE A 104 -8.760 21.715 -9.466 1.00 62.23 H new ATOM 0 HD13 ILE A 104 -10.388 21.216 -8.947 1.00 62.23 H new ATOM 1666 N GLU A 105 -11.478 25.708 -12.760 1.00 25.24 N ATOM 1667 CA GLU A 105 -12.266 25.957 -13.961 1.00 0.21 C ATOM 1668 C GLU A 105 -11.401 26.558 -15.065 1.00 4.42 C ATOM 1669 O GLU A 105 -11.595 26.269 -16.246 1.00 72.15 O ATOM 1670 CB GLU A 105 -13.433 26.895 -13.646 1.00 33.41 C ATOM 1671 CG GLU A 105 -14.792 26.216 -13.702 1.00 23.23 C ATOM 1672 CD GLU A 105 -15.289 26.026 -15.123 1.00 51.32 C ATOM 1673 OE1 GLU A 105 -14.748 26.686 -16.034 1.00 53.44 O ATOM 1674 OE2 GLU A 105 -16.218 25.216 -15.322 1.00 41.42 O ATOM 0 H GLU A 105 -11.636 26.376 -12.005 1.00 25.24 H new ATOM 0 HA GLU A 105 -12.659 25.002 -14.311 1.00 0.21 H new ATOM 0 HB2 GLU A 105 -13.289 27.320 -12.652 1.00 33.41 H new ATOM 0 HB3 GLU A 105 -13.422 27.725 -14.352 1.00 33.41 H new ATOM 0 HG2 GLU A 105 -14.730 25.246 -13.209 1.00 23.23 H new ATOM 0 HG3 GLU A 105 -15.515 26.811 -13.144 1.00 23.23 H new ATOM 1681 N GLU A 106 -10.444 27.393 -14.672 1.00 74.05 N ATOM 1682 CA GLU A 106 -9.551 28.035 -15.628 1.00 5.14 C ATOM 1683 C GLU A 106 -8.405 27.102 -16.013 1.00 35.20 C ATOM 1684 O GLU A 106 -7.888 27.165 -17.127 1.00 33.44 O ATOM 1685 CB GLU A 106 -8.991 29.334 -15.044 1.00 24.35 C ATOM 1686 CG GLU A 106 -9.280 30.558 -15.897 1.00 32.12 C ATOM 1687 CD GLU A 106 -8.957 31.856 -15.182 1.00 22.45 C ATOM 1688 OE1 GLU A 106 -9.799 32.323 -14.388 1.00 12.12 O ATOM 1689 OE2 GLU A 106 -7.860 32.405 -15.418 1.00 1.53 O ATOM 0 H GLU A 106 -10.268 27.640 -13.698 1.00 74.05 H new ATOM 0 HA GLU A 106 -10.126 28.266 -16.525 1.00 5.14 H new ATOM 0 HB2 GLU A 106 -9.411 29.487 -14.050 1.00 24.35 H new ATOM 0 HB3 GLU A 106 -7.913 29.233 -14.922 1.00 24.35 H new ATOM 0 HG2 GLU A 106 -8.699 30.500 -16.818 1.00 32.12 H new ATOM 0 HG3 GLU A 106 -10.332 30.557 -16.183 1.00 32.12 H new ATOM 1696 N GLU A 107 -8.015 26.239 -15.081 1.00 4.21 N ATOM 1697 CA GLU A 107 -6.931 25.294 -15.322 1.00 65.32 C ATOM 1698 C GLU A 107 -7.364 24.205 -16.298 1.00 54.55 C ATOM 1699 O GLU A 107 -6.630 23.857 -17.222 1.00 53.30 O ATOM 1700 CB GLU A 107 -6.472 24.663 -14.005 1.00 25.34 C ATOM 1701 CG GLU A 107 -5.087 25.108 -13.567 1.00 24.01 C ATOM 1702 CD GLU A 107 -3.992 24.187 -14.071 1.00 72.43 C ATOM 1703 OE1 GLU A 107 -4.025 23.822 -15.264 1.00 52.01 O ATOM 1704 OE2 GLU A 107 -3.101 23.834 -13.271 1.00 44.31 O ATOM 0 H GLU A 107 -8.433 26.174 -14.153 1.00 4.21 H new ATOM 0 HA GLU A 107 -6.098 25.841 -15.763 1.00 65.32 H new ATOM 0 HB2 GLU A 107 -7.189 24.913 -13.223 1.00 25.34 H new ATOM 0 HB3 GLU A 107 -6.480 23.578 -14.110 1.00 25.34 H new ATOM 0 HG2 GLU A 107 -4.902 26.119 -13.930 1.00 24.01 H new ATOM 0 HG3 GLU A 107 -5.050 25.149 -12.478 1.00 24.01 H new ATOM 1711 N GLN A 108 -8.562 23.669 -16.082 1.00 22.44 N ATOM 1712 CA GLN A 108 -9.094 22.617 -16.942 1.00 71.42 C ATOM 1713 C GLN A 108 -9.095 23.056 -18.402 1.00 31.50 C ATOM 1714 O GLN A 108 -8.990 22.232 -19.309 1.00 43.35 O ATOM 1715 CB GLN A 108 -10.512 22.243 -16.507 1.00 35.54 C ATOM 1716 CG GLN A 108 -10.719 20.749 -16.326 1.00 64.11 C ATOM 1717 CD GLN A 108 -10.674 20.327 -14.870 1.00 15.21 C ATOM 1718 OE1 GLN A 108 -9.997 20.948 -14.052 1.00 23.50 O ATOM 1719 NE2 GLN A 108 -11.400 19.265 -14.539 1.00 53.11 N ATOM 0 H GLN A 108 -9.182 23.945 -15.320 1.00 22.44 H new ATOM 0 HA GLN A 108 -8.450 21.743 -16.846 1.00 71.42 H new ATOM 0 HB2 GLN A 108 -10.741 22.749 -15.569 1.00 35.54 H new ATOM 0 HB3 GLN A 108 -11.220 22.612 -17.249 1.00 35.54 H new ATOM 0 HG2 GLN A 108 -11.680 20.465 -16.753 1.00 64.11 H new ATOM 0 HG3 GLN A 108 -9.951 20.210 -16.881 1.00 64.11 H new ATOM 0 HE21 GLN A 108 -11.947 18.780 -15.250 1.00 53.11 H new ATOM 0 HE22 GLN A 108 -11.410 18.935 -13.574 1.00 53.11 H new ATOM 1728 N ASN A 109 -9.216 24.362 -18.622 1.00 2.12 N ATOM 1729 CA ASN A 109 -9.232 24.911 -19.973 1.00 13.02 C ATOM 1730 C ASN A 109 -7.908 24.649 -20.683 1.00 41.12 C ATOM 1731 O ASN A 109 -7.865 24.485 -21.903 1.00 73.05 O ATOM 1732 CB ASN A 109 -9.513 26.415 -19.933 1.00 54.35 C ATOM 1733 CG ASN A 109 -10.760 26.791 -20.709 1.00 0.14 C ATOM 1734 OD1 ASN A 109 -10.725 27.668 -21.574 1.00 51.33 O ATOM 1735 ND2 ASN A 109 -11.869 26.129 -20.406 1.00 53.44 N ATOM 0 H ASN A 109 -9.304 25.059 -17.882 1.00 2.12 H new ATOM 0 HA ASN A 109 -10.027 24.415 -20.530 1.00 13.02 H new ATOM 0 HB2 ASN A 109 -9.624 26.734 -18.897 1.00 54.35 H new ATOM 0 HB3 ASN A 109 -8.658 26.953 -20.342 1.00 54.35 H new ATOM 0 HD21 ASN A 109 -12.738 26.339 -20.897 1.00 53.44 H new ATOM 0 HD22 ASN A 109 -11.852 25.410 -19.682 1.00 53.44 H new ATOM 1742 N LYS A 110 -6.827 24.610 -19.911 1.00 24.24 N ATOM 1743 CA LYS A 110 -5.499 24.367 -20.463 1.00 53.10 C ATOM 1744 C LYS A 110 -5.348 22.912 -20.895 1.00 34.01 C ATOM 1745 O LYS A 110 -4.678 22.614 -21.884 1.00 14.41 O ATOM 1746 CB LYS A 110 -4.424 24.718 -19.433 1.00 21.32 C ATOM 1747 CG LYS A 110 -3.006 24.538 -19.949 1.00 62.21 C ATOM 1748 CD LYS A 110 -2.357 23.292 -19.371 1.00 52.15 C ATOM 1749 CE LYS A 110 -0.856 23.472 -19.205 1.00 11.53 C ATOM 1750 NZ LYS A 110 -0.092 22.767 -20.272 1.00 51.23 N ATOM 0 H LYS A 110 -6.845 24.744 -18.900 1.00 24.24 H new ATOM 0 HA LYS A 110 -5.375 25.003 -21.339 1.00 53.10 H new ATOM 0 HB2 LYS A 110 -4.559 25.753 -19.118 1.00 21.32 H new ATOM 0 HB3 LYS A 110 -4.562 24.095 -18.549 1.00 21.32 H new ATOM 0 HG2 LYS A 110 -3.019 24.471 -21.037 1.00 62.21 H new ATOM 0 HG3 LYS A 110 -2.410 25.413 -19.691 1.00 62.21 H new ATOM 0 HD2 LYS A 110 -2.806 23.061 -18.405 1.00 52.15 H new ATOM 0 HD3 LYS A 110 -2.553 22.442 -20.025 1.00 52.15 H new ATOM 0 HE2 LYS A 110 -0.613 24.534 -19.226 1.00 11.53 H new ATOM 0 HE3 LYS A 110 -0.550 23.094 -18.229 1.00 11.53 H new ATOM 0 HZ1 LYS A 110 0.927 22.914 -20.124 1.00 51.23 H new ATOM 0 HZ2 LYS A 110 -0.304 21.749 -20.236 1.00 51.23 H new ATOM 0 HZ3 LYS A 110 -0.365 23.145 -21.202 1.00 51.23 H new ATOM 1764 N SER A 111 -5.977 22.010 -20.148 1.00 52.51 N ATOM 1765 CA SER A 111 -5.911 20.584 -20.453 1.00 61.31 C ATOM 1766 C SER A 111 -6.970 20.199 -21.480 1.00 13.40 C ATOM 1767 O SER A 111 -6.841 19.191 -22.175 1.00 43.21 O ATOM 1768 CB SER A 111 -6.096 19.760 -19.177 1.00 12.11 C ATOM 1769 OG SER A 111 -6.237 18.382 -19.477 1.00 14.13 O ATOM 0 H SER A 111 -6.538 22.240 -19.328 1.00 52.51 H new ATOM 0 HA SER A 111 -4.928 20.372 -20.874 1.00 61.31 H new ATOM 0 HB2 SER A 111 -5.240 19.906 -18.518 1.00 12.11 H new ATOM 0 HB3 SER A 111 -6.976 20.110 -18.638 1.00 12.11 H new ATOM 0 HG SER A 111 -6.510 17.898 -18.670 1.00 14.13 H new ATOM 1775 N LYS A 112 -8.019 21.009 -21.571 1.00 32.01 N ATOM 1776 CA LYS A 112 -9.103 20.755 -22.514 1.00 41.04 C ATOM 1777 C LYS A 112 -8.562 20.575 -23.928 1.00 2.13 C ATOM 1778 O LYS A 112 -9.005 19.694 -24.665 1.00 5.12 O ATOM 1779 CB LYS A 112 -10.111 21.906 -22.485 1.00 61.23 C ATOM 1780 CG LYS A 112 -11.550 21.459 -22.669 1.00 53.44 C ATOM 1781 CD LYS A 112 -12.505 22.640 -22.683 1.00 74.43 C ATOM 1782 CE LYS A 112 -13.297 22.703 -23.979 1.00 11.43 C ATOM 1783 NZ LYS A 112 -12.677 23.631 -24.965 1.00 60.02 N ATOM 0 H LYS A 112 -8.142 21.847 -21.003 1.00 32.01 H new ATOM 0 HA LYS A 112 -9.603 19.834 -22.215 1.00 41.04 H new ATOM 0 HB2 LYS A 112 -10.022 22.432 -21.535 1.00 61.23 H new ATOM 0 HB3 LYS A 112 -9.858 22.619 -23.269 1.00 61.23 H new ATOM 0 HG2 LYS A 112 -11.643 20.904 -23.603 1.00 53.44 H new ATOM 0 HG3 LYS A 112 -11.825 20.777 -21.864 1.00 53.44 H new ATOM 0 HD2 LYS A 112 -13.191 22.564 -21.840 1.00 74.43 H new ATOM 0 HD3 LYS A 112 -11.943 23.565 -22.554 1.00 74.43 H new ATOM 0 HE2 LYS A 112 -13.364 21.705 -24.412 1.00 11.43 H new ATOM 0 HE3 LYS A 112 -14.316 23.027 -23.766 1.00 11.43 H new ATOM 0 HZ1 LYS A 112 -13.247 23.645 -25.835 1.00 60.02 H new ATOM 0 HZ2 LYS A 112 -12.636 24.589 -24.562 1.00 60.02 H new ATOM 0 HZ3 LYS A 112 -11.714 23.308 -25.188 1.00 60.02 H new ATOM 1797 N LYS A 113 -7.602 21.414 -24.301 1.00 3.40 N ATOM 1798 CA LYS A 113 -6.997 21.346 -25.627 1.00 52.52 C ATOM 1799 C LYS A 113 -6.343 19.987 -25.857 1.00 72.14 C ATOM 1800 O LYS A 113 -6.282 19.499 -26.985 1.00 22.20 O ATOM 1801 CB LYS A 113 -5.960 22.458 -25.794 1.00 31.02 C ATOM 1802 CG LYS A 113 -4.842 22.408 -24.768 1.00 35.31 C ATOM 1803 CD LYS A 113 -3.486 22.231 -25.429 1.00 3.41 C ATOM 1804 CE LYS A 113 -2.476 21.614 -24.473 1.00 50.42 C ATOM 1805 NZ LYS A 113 -1.177 21.334 -25.143 1.00 42.31 N ATOM 0 H LYS A 113 -7.225 22.150 -23.704 1.00 3.40 H new ATOM 0 HA LYS A 113 -7.786 21.480 -26.367 1.00 52.52 H new ATOM 0 HB2 LYS A 113 -5.528 22.393 -26.793 1.00 31.02 H new ATOM 0 HB3 LYS A 113 -6.461 23.424 -25.726 1.00 31.02 H new ATOM 0 HG2 LYS A 113 -4.844 23.326 -24.181 1.00 35.31 H new ATOM 0 HG3 LYS A 113 -5.020 21.586 -24.075 1.00 35.31 H new ATOM 0 HD2 LYS A 113 -3.589 21.597 -26.310 1.00 3.41 H new ATOM 0 HD3 LYS A 113 -3.119 23.198 -25.773 1.00 3.41 H new ATOM 0 HE2 LYS A 113 -2.313 22.288 -23.632 1.00 50.42 H new ATOM 0 HE3 LYS A 113 -2.881 20.688 -24.065 1.00 50.42 H new ATOM 0 HZ1 LYS A 113 -0.516 20.914 -24.458 1.00 42.31 H new ATOM 0 HZ2 LYS A 113 -1.328 20.671 -25.930 1.00 42.31 H new ATOM 0 HZ3 LYS A 113 -0.777 22.221 -25.510 1.00 42.31 H new ATOM 1819 N LYS A 114 -5.855 19.380 -24.780 1.00 10.50 N ATOM 1820 CA LYS A 114 -5.208 18.076 -24.863 1.00 21.44 C ATOM 1821 C LYS A 114 -6.190 17.010 -25.337 1.00 34.14 C ATOM 1822 O LYS A 114 -5.803 16.046 -25.997 1.00 43.40 O ATOM 1823 CB LYS A 114 -4.630 17.683 -23.502 1.00 63.01 C ATOM 1824 CG LYS A 114 -3.738 16.455 -23.551 1.00 1.33 C ATOM 1825 CD LYS A 114 -2.383 16.723 -22.920 1.00 70.02 C ATOM 1826 CE LYS A 114 -2.413 16.494 -21.417 1.00 71.40 C ATOM 1827 NZ LYS A 114 -1.604 15.308 -21.021 1.00 73.15 N ATOM 0 H LYS A 114 -5.896 19.771 -23.839 1.00 10.50 H new ATOM 0 HA LYS A 114 -4.398 18.146 -25.589 1.00 21.44 H new ATOM 0 HB2 LYS A 114 -4.058 18.521 -23.104 1.00 63.01 H new ATOM 0 HB3 LYS A 114 -5.450 17.498 -22.808 1.00 63.01 H new ATOM 0 HG2 LYS A 114 -4.225 15.630 -23.032 1.00 1.33 H new ATOM 0 HG3 LYS A 114 -3.603 16.144 -24.587 1.00 1.33 H new ATOM 0 HD2 LYS A 114 -1.634 16.073 -23.373 1.00 70.02 H new ATOM 0 HD3 LYS A 114 -2.081 17.750 -23.127 1.00 70.02 H new ATOM 0 HE2 LYS A 114 -2.033 17.379 -20.907 1.00 71.40 H new ATOM 0 HE3 LYS A 114 -3.444 16.356 -21.091 1.00 71.40 H new ATOM 0 HZ1 LYS A 114 -1.650 15.185 -19.989 1.00 73.15 H new ATOM 0 HZ2 LYS A 114 -1.982 14.459 -21.488 1.00 73.15 H new ATOM 0 HZ3 LYS A 114 -0.615 15.451 -21.309 1.00 73.15 H new ATOM 1841 N ALA A 115 -7.462 17.191 -24.999 1.00 32.45 N ATOM 1842 CA ALA A 115 -8.500 16.247 -25.394 1.00 41.12 C ATOM 1843 C ALA A 115 -9.029 16.564 -26.789 1.00 71.21 C ATOM 1844 O ALA A 115 -9.620 15.709 -27.447 1.00 1.41 O ATOM 1845 CB ALA A 115 -9.636 16.257 -24.382 1.00 23.33 C ATOM 0 H ALA A 115 -7.799 17.983 -24.452 1.00 32.45 H new ATOM 0 HA ALA A 115 -8.059 15.250 -25.419 1.00 41.12 H new ATOM 0 HB1 ALA A 115 -10.404 15.547 -24.690 1.00 23.33 H new ATOM 0 HB2 ALA A 115 -9.253 15.974 -23.402 1.00 23.33 H new ATOM 0 HB3 ALA A 115 -10.067 17.257 -24.328 1.00 23.33 H new ATOM 1851 N GLN A 116 -8.813 17.798 -27.233 1.00 51.22 N ATOM 1852 CA GLN A 116 -9.270 18.226 -28.549 1.00 32.52 C ATOM 1853 C GLN A 116 -8.170 18.982 -29.287 1.00 21.03 C ATOM 1854 O GLN A 116 -8.383 20.098 -29.761 1.00 22.05 O ATOM 1855 CB GLN A 116 -10.513 19.110 -28.418 1.00 4.44 C ATOM 1856 CG GLN A 116 -11.653 18.448 -27.662 1.00 43.34 C ATOM 1857 CD GLN A 116 -12.850 18.159 -28.546 1.00 0.23 C ATOM 1858 OE1 GLN A 116 -13.467 19.073 -29.093 1.00 24.53 O ATOM 1859 NE2 GLN A 116 -13.185 16.882 -28.691 1.00 5.01 N ATOM 0 H GLN A 116 -8.325 18.518 -26.701 1.00 51.22 H new ATOM 0 HA GLN A 116 -9.524 17.336 -29.125 1.00 32.52 H new ATOM 0 HB2 GLN A 116 -10.239 20.034 -27.909 1.00 4.44 H new ATOM 0 HB3 GLN A 116 -10.860 19.385 -29.414 1.00 4.44 H new ATOM 0 HG2 GLN A 116 -11.299 17.516 -27.221 1.00 43.34 H new ATOM 0 HG3 GLN A 116 -11.961 19.093 -26.839 1.00 43.34 H new ATOM 0 HE21 GLN A 116 -12.645 16.156 -28.219 1.00 5.01 H new ATOM 0 HE22 GLN A 116 -13.982 16.627 -29.274 1.00 5.01 H new ATOM 1868 N GLN A 117 -6.997 18.367 -29.381 1.00 5.12 N ATOM 1869 CA GLN A 117 -5.863 18.982 -30.061 1.00 23.25 C ATOM 1870 C GLN A 117 -6.263 19.474 -31.449 1.00 71.33 C ATOM 1871 O GLN A 117 -5.713 20.452 -31.953 1.00 75.40 O ATOM 1872 CB GLN A 117 -4.706 17.988 -30.173 1.00 74.33 C ATOM 1873 CG GLN A 117 -3.336 18.643 -30.141 1.00 25.33 C ATOM 1874 CD GLN A 117 -2.490 18.172 -28.975 1.00 51.25 C ATOM 1875 OE1 GLN A 117 -2.380 18.855 -27.956 1.00 32.50 O ATOM 1876 NE2 GLN A 117 -1.886 16.998 -29.117 1.00 11.12 N ATOM 0 H GLN A 117 -6.806 17.442 -28.995 1.00 5.12 H new ATOM 0 HA GLN A 117 -5.539 19.839 -29.470 1.00 23.25 H new ATOM 0 HB2 GLN A 117 -4.775 17.269 -29.356 1.00 74.33 H new ATOM 0 HB3 GLN A 117 -4.809 17.426 -31.101 1.00 74.33 H new ATOM 0 HG2 GLN A 117 -2.814 18.429 -31.073 1.00 25.33 H new ATOM 0 HG3 GLN A 117 -3.456 19.725 -30.084 1.00 25.33 H new ATOM 0 HE21 GLN A 117 -2.004 16.465 -29.978 1.00 11.12 H new ATOM 0 HE22 GLN A 117 -1.304 16.630 -28.365 1.00 11.12 H new ATOM 1885 N ALA A 118 -7.222 18.788 -32.060 1.00 31.31 N ATOM 1886 CA ALA A 118 -7.697 19.156 -33.389 1.00 43.04 C ATOM 1887 C ALA A 118 -8.498 20.453 -33.346 1.00 1.41 C ATOM 1888 O ALA A 118 -8.056 21.484 -33.852 1.00 52.14 O ATOM 1889 CB ALA A 118 -8.537 18.033 -33.978 1.00 10.33 C ATOM 0 H ALA A 118 -7.686 17.974 -31.657 1.00 31.31 H new ATOM 0 HA ALA A 118 -6.828 19.318 -34.027 1.00 43.04 H new ATOM 0 HB1 ALA A 118 -8.885 18.321 -34.970 1.00 10.33 H new ATOM 0 HB2 ALA A 118 -7.934 17.128 -34.054 1.00 10.33 H new ATOM 0 HB3 ALA A 118 -9.395 17.844 -33.333 1.00 10.33 H new ATOM 1895 N ALA A 119 -9.679 20.393 -32.740 1.00 13.11 N ATOM 1896 CA ALA A 119 -10.542 21.562 -32.630 1.00 21.22 C ATOM 1897 C ALA A 119 -9.758 22.779 -32.148 1.00 53.23 C ATOM 1898 O ALA A 119 -9.970 23.894 -32.623 1.00 64.13 O ATOM 1899 CB ALA A 119 -11.705 21.275 -31.693 1.00 74.21 C ATOM 0 H ALA A 119 -10.060 19.546 -32.317 1.00 13.11 H new ATOM 0 HA ALA A 119 -10.937 21.786 -33.621 1.00 21.22 H new ATOM 0 HB1 ALA A 119 -12.341 22.158 -31.621 1.00 74.21 H new ATOM 0 HB2 ALA A 119 -12.287 20.439 -32.081 1.00 74.21 H new ATOM 0 HB3 ALA A 119 -11.322 21.022 -30.704 1.00 74.21 H new ATOM 1905 N ALA A 120 -8.854 22.556 -31.200 1.00 63.02 N ATOM 1906 CA ALA A 120 -8.039 23.634 -30.654 1.00 45.24 C ATOM 1907 C ALA A 120 -7.051 24.154 -31.691 1.00 4.00 C ATOM 1908 O ALA A 120 -7.040 25.343 -32.011 1.00 72.11 O ATOM 1909 CB ALA A 120 -7.301 23.159 -29.410 1.00 0.53 C ATOM 0 H ALA A 120 -8.668 21.639 -30.794 1.00 63.02 H new ATOM 0 HA ALA A 120 -8.702 24.454 -30.379 1.00 45.24 H new ATOM 0 HB1 ALA A 120 -6.696 23.974 -29.012 1.00 0.53 H new ATOM 0 HB2 ALA A 120 -8.023 22.842 -28.657 1.00 0.53 H new ATOM 0 HB3 ALA A 120 -6.655 22.320 -29.668 1.00 0.53 H new ATOM 1915 N ASP A 121 -6.220 23.258 -32.213 1.00 13.22 N ATOM 1916 CA ASP A 121 -5.228 23.627 -33.216 1.00 51.04 C ATOM 1917 C ASP A 121 -5.864 24.449 -34.333 1.00 13.12 C ATOM 1918 O ASP A 121 -5.268 25.403 -34.834 1.00 0.33 O ATOM 1919 CB ASP A 121 -4.570 22.375 -33.798 1.00 20.14 C ATOM 1920 CG ASP A 121 -3.449 22.706 -34.763 1.00 11.44 C ATOM 1921 OD1 ASP A 121 -3.104 23.900 -34.885 1.00 15.03 O ATOM 1922 OD2 ASP A 121 -2.916 21.771 -35.395 1.00 2.34 O ATOM 0 H ASP A 121 -6.214 22.270 -31.958 1.00 13.22 H new ATOM 0 HA ASP A 121 -4.466 24.236 -32.730 1.00 51.04 H new ATOM 0 HB2 ASP A 121 -4.177 21.763 -32.986 1.00 20.14 H new ATOM 0 HB3 ASP A 121 -5.323 21.778 -34.312 1.00 20.14 H new ATOM 1927 N THR A 122 -7.079 24.072 -34.721 1.00 53.34 N ATOM 1928 CA THR A 122 -7.794 24.772 -35.780 1.00 53.05 C ATOM 1929 C THR A 122 -8.616 25.927 -35.217 1.00 22.15 C ATOM 1930 O THR A 122 -9.505 25.726 -34.391 1.00 62.14 O ATOM 1931 CB THR A 122 -8.729 23.820 -36.550 1.00 75.41 C ATOM 1932 OG1 THR A 122 -9.526 23.066 -35.630 1.00 12.50 O ATOM 1933 CG2 THR A 122 -7.930 22.873 -37.431 1.00 21.02 C ATOM 0 H THR A 122 -7.588 23.286 -34.317 1.00 53.34 H new ATOM 0 HA THR A 122 -7.042 25.164 -36.465 1.00 53.05 H new ATOM 0 HB THR A 122 -9.380 24.421 -37.186 1.00 75.41 H new ATOM 0 HG1 THR A 122 -8.955 22.434 -35.144 1.00 12.50 H new ATOM 0 HG21 THR A 122 -8.611 22.211 -37.965 1.00 21.02 H new ATOM 0 HG22 THR A 122 -7.347 23.449 -38.149 1.00 21.02 H new ATOM 0 HG23 THR A 122 -7.258 22.279 -36.811 1.00 21.02 H new ATOM 1941 N GLY A 123 -8.312 27.139 -35.672 1.00 53.12 N ATOM 1942 CA GLY A 123 -9.032 28.309 -35.204 1.00 50.13 C ATOM 1943 C GLY A 123 -8.133 29.291 -34.478 1.00 22.14 C ATOM 1944 O GLY A 123 -6.972 28.992 -34.201 1.00 31.15 O ATOM 0 H GLY A 123 -7.580 27.331 -36.356 1.00 53.12 H new ATOM 0 HA2 GLY A 123 -9.499 28.808 -36.053 1.00 50.13 H new ATOM 0 HA3 GLY A 123 -9.835 27.995 -34.537 1.00 50.13 H new ATOM 1948 N ASN A 124 -8.671 30.466 -34.171 1.00 24.31 N ATOM 1949 CA ASN A 124 -7.908 31.497 -33.475 1.00 13.34 C ATOM 1950 C ASN A 124 -8.112 31.398 -31.966 1.00 62.31 C ATOM 1951 O ASN A 124 -7.161 31.188 -31.214 1.00 70.40 O ATOM 1952 CB ASN A 124 -8.321 32.886 -33.967 1.00 2.01 C ATOM 1953 CG ASN A 124 -7.658 33.254 -35.281 1.00 32.03 C ATOM 1954 OD1 ASN A 124 -7.920 32.639 -36.314 1.00 4.20 O ATOM 1955 ND2 ASN A 124 -6.796 34.263 -35.246 1.00 72.12 N ATOM 0 H ASN A 124 -9.631 30.729 -34.393 1.00 24.31 H new ATOM 0 HA ASN A 124 -6.851 31.342 -33.692 1.00 13.34 H new ATOM 0 HB2 ASN A 124 -9.404 32.919 -34.088 1.00 2.01 H new ATOM 0 HB3 ASN A 124 -8.062 33.628 -33.212 1.00 2.01 H new ATOM 0 HD21 ASN A 124 -6.320 34.557 -36.099 1.00 72.12 H new ATOM 0 HD22 ASN A 124 -6.610 34.744 -34.366 1.00 72.12 H new ATOM 1962 N ASN A 125 -9.359 31.552 -31.531 1.00 24.13 N ATOM 1963 CA ASN A 125 -9.688 31.480 -30.112 1.00 24.33 C ATOM 1964 C ASN A 125 -9.023 32.616 -29.342 1.00 63.43 C ATOM 1965 O ASN A 125 -8.514 33.568 -29.935 1.00 51.12 O ATOM 1966 CB ASN A 125 -9.250 30.132 -29.535 1.00 73.34 C ATOM 1967 CG ASN A 125 -10.262 29.569 -28.554 1.00 2.42 C ATOM 1968 OD1 ASN A 125 -9.996 29.476 -27.356 1.00 55.53 O ATOM 1969 ND2 ASN A 125 -11.429 29.190 -29.062 1.00 35.11 N ATOM 0 H ASN A 125 -10.158 31.727 -32.141 1.00 24.13 H new ATOM 0 HA ASN A 125 -10.769 31.579 -30.008 1.00 24.33 H new ATOM 0 HB2 ASN A 125 -9.102 29.422 -30.349 1.00 73.34 H new ATOM 0 HB3 ASN A 125 -8.289 30.249 -29.035 1.00 73.34 H new ATOM 0 HD21 ASN A 125 -12.149 28.803 -28.452 1.00 35.11 H new ATOM 0 HD22 ASN A 125 -11.605 29.286 -30.062 1.00 35.11 H new ATOM 1976 N SER A 126 -9.029 32.509 -28.017 1.00 54.12 N ATOM 1977 CA SER A 126 -8.430 33.529 -27.165 1.00 54.23 C ATOM 1978 C SER A 126 -9.170 34.856 -27.302 1.00 73.23 C ATOM 1979 O SER A 126 -8.837 35.680 -28.154 1.00 54.41 O ATOM 1980 CB SER A 126 -6.953 33.717 -27.519 1.00 32.50 C ATOM 1981 OG SER A 126 -6.284 34.477 -26.528 1.00 73.31 O ATOM 0 H SER A 126 -9.442 31.726 -27.511 1.00 54.12 H new ATOM 0 HA SER A 126 -8.509 33.194 -26.131 1.00 54.23 H new ATOM 0 HB2 SER A 126 -6.473 32.743 -27.621 1.00 32.50 H new ATOM 0 HB3 SER A 126 -6.868 34.217 -28.484 1.00 32.50 H new ATOM 0 HG SER A 126 -5.342 34.582 -26.777 1.00 73.31 H new ATOM 1987 N GLN A 127 -10.177 35.054 -26.457 1.00 61.40 N ATOM 1988 CA GLN A 127 -10.966 36.281 -26.484 1.00 51.45 C ATOM 1989 C GLN A 127 -11.856 36.382 -25.249 1.00 23.51 C ATOM 1990 O GLN A 127 -13.079 36.466 -25.359 1.00 62.54 O ATOM 1991 CB GLN A 127 -11.822 36.334 -27.750 1.00 3.53 C ATOM 1992 CG GLN A 127 -12.628 35.068 -27.993 1.00 70.13 C ATOM 1993 CD GLN A 127 -14.081 35.355 -28.316 1.00 52.32 C ATOM 1994 OE1 GLN A 127 -14.677 36.289 -27.778 1.00 43.34 O ATOM 1995 NE2 GLN A 127 -14.661 34.550 -29.199 1.00 32.44 N ATOM 0 H GLN A 127 -10.466 34.382 -25.746 1.00 61.40 H new ATOM 0 HA GLN A 127 -10.278 37.126 -26.484 1.00 51.45 H new ATOM 0 HB2 GLN A 127 -12.504 37.182 -27.682 1.00 3.53 H new ATOM 0 HB3 GLN A 127 -11.175 36.513 -28.609 1.00 3.53 H new ATOM 0 HG2 GLN A 127 -12.181 34.509 -28.815 1.00 70.13 H new ATOM 0 HG3 GLN A 127 -12.575 34.433 -27.109 1.00 70.13 H new ATOM 0 HE21 GLN A 127 -14.130 33.788 -29.621 1.00 32.44 H new ATOM 0 HE22 GLN A 127 -15.638 34.694 -29.456 1.00 32.44 H new ATOM 2004 N VAL A 128 -11.234 36.375 -24.075 1.00 61.22 N ATOM 2005 CA VAL A 128 -11.969 36.468 -22.819 1.00 40.43 C ATOM 2006 C VAL A 128 -11.484 37.646 -21.984 1.00 43.15 C ATOM 2007 O VAL A 128 -10.605 38.399 -22.404 1.00 0.01 O ATOM 2008 CB VAL A 128 -11.833 35.174 -21.992 1.00 23.43 C ATOM 2009 CG1 VAL A 128 -12.634 34.048 -22.628 1.00 64.34 C ATOM 2010 CG2 VAL A 128 -10.369 34.785 -21.850 1.00 33.44 C ATOM 0 H VAL A 128 -10.222 36.306 -23.967 1.00 61.22 H new ATOM 0 HA VAL A 128 -13.018 36.617 -23.076 1.00 40.43 H new ATOM 0 HB VAL A 128 -12.235 35.355 -20.995 1.00 23.43 H new ATOM 0 HG11 VAL A 128 -12.526 33.143 -22.031 1.00 64.34 H new ATOM 0 HG12 VAL A 128 -13.686 34.330 -22.673 1.00 64.34 H new ATOM 0 HG13 VAL A 128 -12.265 33.863 -23.637 1.00 64.34 H new ATOM 0 HG21 VAL A 128 -10.291 33.870 -21.264 1.00 33.44 H new ATOM 0 HG22 VAL A 128 -9.939 34.621 -22.838 1.00 33.44 H new ATOM 0 HG23 VAL A 128 -9.827 35.586 -21.347 1.00 33.44 H new ATOM 2020 N SER A 129 -12.060 37.800 -20.796 1.00 40.24 N ATOM 2021 CA SER A 129 -11.688 38.889 -19.901 1.00 72.41 C ATOM 2022 C SER A 129 -11.808 38.459 -18.442 1.00 1.31 C ATOM 2023 O SER A 129 -11.993 37.278 -18.145 1.00 34.34 O ATOM 2024 CB SER A 129 -12.572 40.112 -20.157 1.00 45.55 C ATOM 2025 OG SER A 129 -13.878 39.914 -19.642 1.00 24.52 O ATOM 0 H SER A 129 -12.786 37.184 -20.431 1.00 40.24 H new ATOM 0 HA SER A 129 -10.649 39.151 -20.101 1.00 72.41 H new ATOM 0 HB2 SER A 129 -12.125 40.991 -19.694 1.00 45.55 H new ATOM 0 HB3 SER A 129 -12.626 40.308 -21.228 1.00 45.55 H new ATOM 0 HG SER A 129 -14.423 40.710 -19.817 1.00 24.52 H new ATOM 2031 N GLN A 130 -11.700 39.425 -17.536 1.00 42.11 N ATOM 2032 CA GLN A 130 -11.795 39.145 -16.107 1.00 32.55 C ATOM 2033 C GLN A 130 -13.204 38.698 -15.733 1.00 43.54 C ATOM 2034 O GLN A 130 -14.131 38.794 -16.536 1.00 23.14 O ATOM 2035 CB GLN A 130 -11.409 40.384 -15.298 1.00 71.52 C ATOM 2036 CG GLN A 130 -12.210 41.624 -15.662 1.00 20.32 C ATOM 2037 CD GLN A 130 -11.330 42.788 -16.075 1.00 53.14 C ATOM 2038 OE1 GLN A 130 -11.371 43.236 -17.220 1.00 32.14 O ATOM 2039 NE2 GLN A 130 -10.528 43.283 -15.140 1.00 61.44 N ATOM 0 H GLN A 130 -11.547 40.407 -17.765 1.00 42.11 H new ATOM 0 HA GLN A 130 -11.103 38.336 -15.873 1.00 32.55 H new ATOM 0 HB2 GLN A 130 -11.546 40.172 -14.238 1.00 71.52 H new ATOM 0 HB3 GLN A 130 -10.349 40.590 -15.448 1.00 71.52 H new ATOM 0 HG2 GLN A 130 -12.894 41.384 -16.476 1.00 20.32 H new ATOM 0 HG3 GLN A 130 -12.821 41.920 -14.809 1.00 20.32 H new ATOM 0 HE21 GLN A 130 -10.527 42.880 -14.203 1.00 61.44 H new ATOM 0 HE22 GLN A 130 -9.913 44.067 -15.359 1.00 61.44 H new ATOM 2048 N ASN A 131 -13.357 38.207 -14.507 1.00 24.12 N ATOM 2049 CA ASN A 131 -14.653 37.742 -14.026 1.00 33.43 C ATOM 2050 C ASN A 131 -14.891 38.188 -12.587 1.00 61.23 C ATOM 2051 O ASN A 131 -15.690 37.591 -11.865 1.00 61.24 O ATOM 2052 CB ASN A 131 -14.740 36.217 -14.121 1.00 23.52 C ATOM 2053 CG ASN A 131 -16.169 35.725 -14.238 1.00 34.40 C ATOM 2054 OD1 ASN A 131 -17.113 36.517 -14.227 1.00 60.22 O ATOM 2055 ND2 ASN A 131 -16.336 34.413 -14.351 1.00 44.23 N ATOM 0 H ASN A 131 -12.600 38.121 -13.829 1.00 24.12 H new ATOM 0 HA ASN A 131 -15.425 38.182 -14.657 1.00 33.43 H new ATOM 0 HB2 ASN A 131 -14.170 35.877 -14.985 1.00 23.52 H new ATOM 0 HB3 ASN A 131 -14.277 35.774 -13.239 1.00 23.52 H new ATOM 0 HD21 ASN A 131 -17.275 34.024 -14.433 1.00 44.23 H new ATOM 0 HD22 ASN A 131 -15.525 33.794 -14.356 1.00 44.23 H new ATOM 2062 N TYR A 132 -14.192 39.240 -12.176 1.00 4.41 N ATOM 2063 CA TYR A 132 -14.325 39.764 -10.822 1.00 64.04 C ATOM 2064 C TYR A 132 -13.849 38.743 -9.793 1.00 4.11 C ATOM 2065 O TYR A 132 -12.858 38.056 -10.037 1.00 61.21 O ATOM 2066 CB TYR A 132 -15.778 40.149 -10.541 1.00 4.42 C ATOM 2067 CG TYR A 132 -15.932 41.504 -9.889 1.00 44.02 C ATOM 2068 CD1 TYR A 132 -15.298 41.793 -8.686 1.00 30.21 C ATOM 2069 CD2 TYR A 132 -16.708 42.495 -10.475 1.00 20.43 C ATOM 2070 CE1 TYR A 132 -15.436 43.030 -8.086 1.00 21.31 C ATOM 2071 CE2 TYR A 132 -16.850 43.735 -9.883 1.00 13.22 C ATOM 2072 CZ TYR A 132 -16.213 43.998 -8.688 1.00 53.30 C ATOM 2073 OH TYR A 132 -16.352 45.231 -8.094 1.00 1.42 O ATOM 0 H TYR A 132 -13.528 39.747 -12.761 1.00 4.41 H new ATOM 0 HA TYR A 132 -13.699 40.653 -10.741 1.00 64.04 H new ATOM 0 HB2 TYR A 132 -16.334 40.141 -11.478 1.00 4.42 H new ATOM 0 HB3 TYR A 132 -16.227 39.393 -9.897 1.00 4.42 H new ATOM 0 HD1 TYR A 132 -14.688 41.038 -8.213 1.00 30.21 H new ATOM 0 HD2 TYR A 132 -17.209 42.293 -11.410 1.00 20.43 H new ATOM 0 HE1 TYR A 132 -14.938 43.238 -7.150 1.00 21.31 H new ATOM 0 HE2 TYR A 132 -17.457 44.495 -10.353 1.00 13.22 H new ATOM 0 HH TYR A 132 -16.930 45.797 -8.647 1.00 1.42 H new TER 2083 TYR A 132 HETATM 2084 P1 PBU A 300 -16.506 18.612 10.040 1.00 24.43 P HETATM 2085 P4 PBU A 300 -18.654 24.526 3.947 1.00 72.32 P HETATM 2086 P5 PBU A 300 -20.982 21.334 5.252 1.00 35.51 P HETATM 2087 C3' PBU A 300 -17.358 16.736 8.606 1.00 23.23 C HETATM 2088 C2' PBU A 300 -16.124 16.596 7.681 1.00 42.33 C HETATM 2089 O2' PBU A 300 -16.543 16.026 6.453 1.00 4.14 O HETATM 2090 C1' PBU A 300 -15.031 15.696 8.307 1.00 42.12 C HETATM 2091 O1' PBU A 300 -15.631 14.530 8.831 1.00 15.21 O HETATM 2092 C1 PBU A 300 -17.220 20.591 7.997 1.00 25.55 C HETATM 2093 O1 PBU A 300 -17.505 19.581 9.115 1.00 0.40 O HETATM 2094 C2 PBU A 300 -16.923 22.054 8.473 1.00 62.11 C HETATM 2095 O2 PBU A 300 -17.959 22.598 9.286 1.00 24.03 O HETATM 2096 C3 PBU A 300 -16.693 22.985 7.261 1.00 12.42 C HETATM 2097 O3 PBU A 300 -16.435 24.304 7.764 1.00 1.12 O HETATM 2098 C4 PBU A 300 -17.926 22.960 6.277 1.00 11.30 C HETATM 2099 O4 PBU A 300 -17.636 23.849 5.080 1.00 14.42 O HETATM 2100 C5 PBU A 300 -18.181 21.468 5.821 1.00 74.13 C HETATM 2101 O5 PBU A 300 -19.364 21.438 4.957 1.00 71.21 O HETATM 2102 C6 PBU A 300 -18.407 20.511 7.018 1.00 3.43 C HETATM 2103 O6 PBU A 300 -18.522 19.141 6.607 1.00 4.34 O HETATM 2104 C7 PBU A 300 -16.626 16.884 5.329 1.00 54.31 C HETATM 2105 O7 PBU A 300 -17.624 16.902 4.642 1.00 63.14 O HETATM 2106 C8 PBU A 300 -15.448 17.813 4.989 1.00 64.11 C HETATM 2107 C9 PBU A 300 -15.588 18.346 3.551 1.00 2.24 C HETATM 2108 C10 PBU A 300 -14.650 19.551 3.358 1.00 32.44 C HETATM 2109 C11 PBU A 300 -15.919 14.390 10.204 1.00 54.21 C HETATM 2110 O11 PBU A 300 -15.159 14.699 11.102 1.00 55.12 O HETATM 2111 C12 PBU A 300 -17.290 13.737 10.534 1.00 52.03 C HETATM 2112 C13 PBU A 300 -17.748 12.709 9.486 1.00 4.21 C HETATM 2113 C14 PBU A 300 -19.223 12.324 9.693 1.00 1.32 C HETATM 2114 O41 PBU A 300 -19.445 25.450 4.869 1.00 64.14 O HETATM 2115 O42 PBU A 300 -17.754 25.235 2.972 1.00 35.44 O HETATM 2116 O43 PBU A 300 -19.461 23.437 3.260 1.00 63.32 O HETATM 2117 O51 PBU A 300 -21.532 21.735 3.897 1.00 12.30 O HETATM 2118 O52 PBU A 300 -21.167 19.889 5.687 1.00 73.31 O HETATM 2119 O53 PBU A 300 -21.202 22.360 6.339 1.00 51.41 O HETATM 2120 OP1 PBU A 300 -16.995 17.202 9.889 1.00 60.42 O HETATM 2121 OP2 PBU A 300 -15.119 18.851 9.437 1.00 62.51 O HETATM 2122 OP3 PBU A 300 -16.740 19.103 11.445 1.00 0.40 O HETATM 0 H3'2 PBU A 300 -18.074 17.425 8.157 1.00 23.23 H new HETATM 0 H3'1 PBU A 300 -17.857 15.771 8.696 1.00 23.23 H new HETATM 0 H143 PBU A 300 -19.350 11.890 10.685 1.00 1.32 H new HETATM 0 H142 PBU A 300 -19.847 13.213 9.604 1.00 1.32 H new HETATM 0 H141 PBU A 300 -19.518 11.596 8.938 1.00 1.32 H new HETATM 0 H132 PBU A 300 -17.614 13.121 8.486 1.00 4.21 H new HETATM 0 H131 PBU A 300 -17.124 11.818 9.550 1.00 4.21 H new HETATM 0 H122 PBU A 300 -17.226 13.249 11.506 1.00 52.03 H new HETATM 0 H121 PBU A 300 -18.045 14.519 10.619 1.00 52.03 H new HETATM 0 H1'2 PBU A 300 -14.288 15.430 7.555 1.00 42.12 H new HETATM 0 H1'1 PBU A 300 -14.507 16.236 9.096 1.00 42.12 H new HETATM 0 H92 PBU A 300 -15.342 17.562 2.835 1.00 2.24 H new HETATM 0 H91 PBU A 300 -16.620 18.640 3.359 1.00 2.24 H new HETATM 0 H82 PBU A 300 -15.418 18.646 5.692 1.00 64.11 H new HETATM 0 H81 PBU A 300 -14.507 17.273 5.094 1.00 64.11 H new HETATM 0 H6 PBU A 300 -19.337 20.828 7.489 1.00 3.43 H new HETATM 0 H5 PBU A 300 -17.292 21.125 5.292 1.00 74.13 H new HETATM 0 H4 PBU A 300 -18.819 23.337 6.775 1.00 11.30 H new HETATM 0 H3 PBU A 300 -15.838 22.642 6.679 1.00 12.42 H new HETATM 0 H2' PBU A 300 -15.695 17.587 7.531 1.00 42.33 H new HETATM 0 H2 PBU A 300 -16.020 21.995 9.081 1.00 62.11 H new HETATM 0 H13 PBU A 300 -14.917 20.337 4.065 1.00 32.44 H new HETATM 0 H12 PBU A 300 -13.619 19.241 3.532 1.00 32.44 H new HETATM 0 H11 PBU A 300 -14.748 19.929 2.340 1.00 32.44 H new HETATM 0 H1 PBU A 300 -16.283 20.318 7.511 1.00 25.55 H new HETATM 0 H06 PBU A 300 -19.401 18.995 6.199 1.00 4.34 H new HETATM 0 H03 PBU A 300 -16.284 24.916 7.014 1.00 1.12 H new HETATM 0 H02 PBU A 300 -18.023 23.564 9.132 1.00 24.03 H new