USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1160 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 145 SER OG : rot 122:sc= 0.757 USER MOD Set 1.2: A 148 THR OG1 : rot 148:sc= 0.0277 USER MOD Set 2.1: A 94 HIS : no HD1:sc= 0.746 K(o=0.71,f=-7!) USER MOD Set 2.2: A 137 TYR OH : rot 19:sc= -0.038 USER MOD Set 3.1: A 87 THR OG1 : rot 180:sc= -0.18 USER MOD Set 3.2: A 124 THR OG1 : rot -29:sc= -0.605 USER MOD Set 4.1: A 67 MET CE :methyl -152:sc= -0.148 (180deg=-0.807) USER MOD Set 4.2: A 71 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.158 (180deg=-0.675) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.36 (180deg=-0.122) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0368) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.41) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 20 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 22 GLN : amide:sc= -0.675 K(o=-0.68,f=-2.2) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -15:sc= -3.01! USER MOD Single : A 42 LYS NZ :NH3+ 145:sc= 2.03 (180deg=-0.3) USER MOD Single : A 43 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 19:sc= -0.154 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.965 K(o=-0.96,f=-7.2!) USER MOD Single : A 72 MET CE :methyl -161:sc= -1.28 (180deg=-2.26!) USER MOD Single : A 74 THR OG1 : rot -14:sc= -0.898! USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.948 K(o=-0.95,f=-6.1!) USER MOD Single : A 86 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -40:sc= -1.38 USER MOD Single : A 95 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.6!) USER MOD Single : A 96 TYR OH : rot -131:sc= 1.13 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.0899 F(o=-0.66,f=0.09) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot -96:sc= 0.746 USER MOD Single : A 111 MET CE :methyl 179:sc= -2.09 (180deg=-2.09) USER MOD Single : A 116 ASN : amide:sc= 0.112 K(o=0.11,f=-13!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot -134:sc= 0.0256 USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 68:sc= 0.292 USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 HIS : no HE2:sc= 0.0674 K(o=0.067,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.204 -1.943 23.076 1.00 11.44 N ATOM 2 CA MET A 1 -4.483 -1.459 21.699 1.00 72.23 C ATOM 3 C MET A 1 -4.687 -2.625 20.736 1.00 72.31 C ATOM 4 O MET A 1 -4.395 -3.774 21.067 1.00 51.34 O ATOM 5 CB MET A 1 -3.308 -0.593 21.240 1.00 10.21 C ATOM 6 CG MET A 1 -1.983 -1.335 21.203 1.00 41.51 C ATOM 7 SD MET A 1 -1.165 -1.377 22.809 1.00 13.20 S ATOM 8 CE MET A 1 -0.726 0.348 23.010 1.00 43.21 C ATOM 0 H1 MET A 1 -4.936 -1.588 23.724 1.00 11.44 H new ATOM 0 H2 MET A 1 -4.208 -2.983 23.086 1.00 11.44 H new ATOM 0 H3 MET A 1 -3.272 -1.597 23.383 1.00 11.44 H new ATOM 0 HA MET A 1 -5.402 -0.873 21.704 1.00 72.23 H new ATOM 0 HB2 MET A 1 -3.523 -0.201 20.246 1.00 10.21 H new ATOM 0 HB3 MET A 1 -3.216 0.264 21.908 1.00 10.21 H new ATOM 0 HG2 MET A 1 -2.152 -2.355 20.859 1.00 41.51 H new ATOM 0 HG3 MET A 1 -1.325 -0.859 20.477 1.00 41.51 H new ATOM 0 HE1 MET A 1 0.141 0.429 23.666 1.00 43.21 H new ATOM 0 HE2 MET A 1 -0.487 0.778 22.037 1.00 43.21 H new ATOM 0 HE3 MET A 1 -1.565 0.888 23.449 1.00 43.21 H new ATOM 18 N THR A 2 -5.192 -2.321 19.545 1.00 70.23 N ATOM 19 CA THR A 2 -5.436 -3.344 18.535 1.00 62.23 C ATOM 20 C THR A 2 -4.263 -3.432 17.559 1.00 63.01 C ATOM 21 O THR A 2 -3.580 -2.441 17.301 1.00 71.43 O ATOM 22 CB THR A 2 -6.751 -3.050 17.794 1.00 12.43 C ATOM 23 OG1 THR A 2 -7.666 -4.116 17.965 1.00 34.10 O ATOM 24 CG2 THR A 2 -6.593 -2.824 16.302 1.00 73.30 C ATOM 0 H THR A 2 -5.440 -1.375 19.256 1.00 70.23 H new ATOM 0 HA THR A 2 -5.528 -4.311 19.030 1.00 62.23 H new ATOM 0 HB THR A 2 -7.115 -2.123 18.237 1.00 12.43 H new ATOM 0 HG1 THR A 2 -8.498 -3.913 17.489 1.00 34.10 H new ATOM 0 HG21 THR A 2 -7.569 -2.624 15.859 1.00 73.30 H new ATOM 0 HG22 THR A 2 -5.935 -1.972 16.131 1.00 73.30 H new ATOM 0 HG23 THR A 2 -6.162 -3.714 15.843 1.00 73.30 H new ATOM 32 N GLU A 3 -4.037 -4.626 17.021 1.00 71.03 N ATOM 33 CA GLU A 3 -2.949 -4.846 16.075 1.00 43.03 C ATOM 34 C GLU A 3 -3.466 -4.833 14.639 1.00 63.42 C ATOM 35 O GLU A 3 -4.218 -5.718 14.232 1.00 2.41 O ATOM 36 CB GLU A 3 -2.250 -6.175 16.371 1.00 41.02 C ATOM 37 CG GLU A 3 -0.747 -6.041 16.555 1.00 71.13 C ATOM 38 CD GLU A 3 -0.024 -7.368 16.422 1.00 71.04 C ATOM 39 OE1 GLU A 3 0.298 -7.756 15.280 1.00 73.11 O ATOM 40 OE2 GLU A 3 0.219 -8.018 17.460 1.00 73.03 O ATOM 0 H GLU A 3 -4.593 -5.457 17.224 1.00 71.03 H new ATOM 0 HA GLU A 3 -2.230 -4.034 16.188 1.00 43.03 H new ATOM 0 HB2 GLU A 3 -2.681 -6.610 17.272 1.00 41.02 H new ATOM 0 HB3 GLU A 3 -2.448 -6.870 15.555 1.00 41.02 H new ATOM 0 HG2 GLU A 3 -0.355 -5.342 15.816 1.00 71.13 H new ATOM 0 HG3 GLU A 3 -0.541 -5.616 17.537 1.00 71.13 H new ATOM 47 N TYR A 4 -3.059 -3.822 13.878 1.00 23.45 N ATOM 48 CA TYR A 4 -3.483 -3.695 12.488 1.00 13.43 C ATOM 49 C TYR A 4 -2.373 -4.126 11.536 1.00 0.41 C ATOM 50 O TYR A 4 -1.236 -3.666 11.642 1.00 75.14 O ATOM 51 CB TYR A 4 -3.894 -2.252 12.189 1.00 65.02 C ATOM 52 CG TYR A 4 -5.311 -1.926 12.605 1.00 31.43 C ATOM 53 CD1 TYR A 4 -6.382 -2.675 12.135 1.00 0.32 C ATOM 54 CD2 TYR A 4 -5.577 -0.870 13.467 1.00 12.30 C ATOM 55 CE1 TYR A 4 -7.679 -2.381 12.512 1.00 52.13 C ATOM 56 CE2 TYR A 4 -6.870 -0.569 13.849 1.00 60.32 C ATOM 57 CZ TYR A 4 -7.917 -1.327 13.369 1.00 64.04 C ATOM 58 OH TYR A 4 -9.207 -1.031 13.747 1.00 72.00 O ATOM 0 H TYR A 4 -2.437 -3.080 14.200 1.00 23.45 H new ATOM 0 HA TYR A 4 -4.340 -4.351 12.336 1.00 13.43 H new ATOM 0 HB2 TYR A 4 -3.210 -1.575 12.700 1.00 65.02 H new ATOM 0 HB3 TYR A 4 -3.787 -2.067 11.120 1.00 65.02 H new ATOM 0 HD1 TYR A 4 -6.198 -3.501 11.464 1.00 0.32 H new ATOM 0 HD2 TYR A 4 -4.759 -0.274 13.845 1.00 12.30 H new ATOM 0 HE1 TYR A 4 -8.501 -2.973 12.138 1.00 52.13 H new ATOM 0 HE2 TYR A 4 -7.060 0.256 14.520 1.00 60.32 H new ATOM 0 HH TYR A 4 -9.202 -0.262 14.354 1.00 72.00 H new ATOM 68 N LYS A 5 -2.713 -5.009 10.603 1.00 25.11 N ATOM 69 CA LYS A 5 -1.748 -5.501 9.627 1.00 64.11 C ATOM 70 C LYS A 5 -1.947 -4.819 8.278 1.00 20.33 C ATOM 71 O LYS A 5 -2.903 -5.110 7.559 1.00 20.15 O ATOM 72 CB LYS A 5 -1.882 -7.013 9.468 1.00 43.43 C ATOM 73 CG LYS A 5 -1.109 -7.800 10.508 1.00 14.04 C ATOM 74 CD LYS A 5 0.336 -8.001 10.085 1.00 11.01 C ATOM 75 CE LYS A 5 0.966 -9.177 10.804 1.00 35.43 C ATOM 76 NZ LYS A 5 1.745 -8.749 11.999 1.00 32.40 N ATOM 0 H LYS A 5 -3.650 -5.399 10.502 1.00 25.11 H new ATOM 0 HA LYS A 5 -0.747 -5.267 9.990 1.00 64.11 H new ATOM 0 HB2 LYS A 5 -2.936 -7.285 9.527 1.00 43.43 H new ATOM 0 HB3 LYS A 5 -1.534 -7.298 8.475 1.00 43.43 H new ATOM 0 HG2 LYS A 5 -1.141 -7.275 11.463 1.00 14.04 H new ATOM 0 HG3 LYS A 5 -1.584 -8.769 10.661 1.00 14.04 H new ATOM 0 HD2 LYS A 5 0.382 -8.164 9.008 1.00 11.01 H new ATOM 0 HD3 LYS A 5 0.907 -7.096 10.295 1.00 11.01 H new ATOM 0 HE2 LYS A 5 0.186 -9.874 11.110 1.00 35.43 H new ATOM 0 HE3 LYS A 5 1.621 -9.713 10.117 1.00 35.43 H new ATOM 0 HZ1 LYS A 5 2.102 -9.588 12.499 1.00 32.40 H new ATOM 0 HZ2 LYS A 5 2.546 -8.158 11.698 1.00 32.40 H new ATOM 0 HZ3 LYS A 5 1.131 -8.201 12.636 1.00 32.40 H new ATOM 90 N LEU A 6 -1.042 -3.907 7.941 1.00 74.11 N ATOM 91 CA LEU A 6 -1.124 -3.182 6.679 1.00 4.11 C ATOM 92 C LEU A 6 -0.263 -3.843 5.608 1.00 52.12 C ATOM 93 O LEU A 6 0.965 -3.797 5.669 1.00 3.32 O ATOM 94 CB LEU A 6 -0.690 -1.729 6.876 1.00 11.41 C ATOM 95 CG LEU A 6 -1.247 -1.055 8.131 1.00 73.11 C ATOM 96 CD1 LEU A 6 -0.844 0.411 8.173 1.00 2.03 C ATOM 97 CD2 LEU A 6 -2.761 -1.197 8.183 1.00 21.51 C ATOM 0 H LEU A 6 -0.244 -3.653 8.523 1.00 74.11 H new ATOM 0 HA LEU A 6 -2.161 -3.204 6.344 1.00 4.11 H new ATOM 0 HB2 LEU A 6 0.399 -1.692 6.914 1.00 11.41 H new ATOM 0 HB3 LEU A 6 -0.998 -1.152 6.004 1.00 11.41 H new ATOM 0 HG LEU A 6 -0.825 -1.550 9.005 1.00 73.11 H new ATOM 0 HD11 LEU A 6 -1.249 0.874 9.073 1.00 2.03 H new ATOM 0 HD12 LEU A 6 0.243 0.489 8.183 1.00 2.03 H new ATOM 0 HD13 LEU A 6 -1.237 0.922 7.294 1.00 2.03 H new ATOM 0 HD21 LEU A 6 -3.141 -0.712 9.082 1.00 21.51 H new ATOM 0 HD22 LEU A 6 -3.201 -0.727 7.303 1.00 21.51 H new ATOM 0 HD23 LEU A 6 -3.027 -2.254 8.201 1.00 21.51 H new ATOM 109 N VAL A 7 -0.919 -4.456 4.628 1.00 22.02 N ATOM 110 CA VAL A 7 -0.219 -5.125 3.542 1.00 2.31 C ATOM 111 C VAL A 7 0.069 -4.155 2.402 1.00 54.54 C ATOM 112 O VAL A 7 -0.818 -3.827 1.614 1.00 13.41 O ATOM 113 CB VAL A 7 -1.036 -6.309 2.994 1.00 1.15 C ATOM 114 CG1 VAL A 7 -0.167 -7.191 2.117 1.00 42.33 C ATOM 115 CG2 VAL A 7 -1.648 -7.115 4.130 1.00 44.03 C ATOM 0 H VAL A 7 -1.936 -4.502 4.565 1.00 22.02 H new ATOM 0 HA VAL A 7 0.720 -5.498 3.950 1.00 2.31 H new ATOM 0 HB VAL A 7 -1.849 -5.913 2.386 1.00 1.15 H new ATOM 0 HG11 VAL A 7 -0.760 -8.023 1.738 1.00 42.33 H new ATOM 0 HG12 VAL A 7 0.216 -6.607 1.280 1.00 42.33 H new ATOM 0 HG13 VAL A 7 0.667 -7.577 2.702 1.00 42.33 H new ATOM 0 HG21 VAL A 7 -2.221 -7.946 3.719 1.00 44.03 H new ATOM 0 HG22 VAL A 7 -0.855 -7.502 4.770 1.00 44.03 H new ATOM 0 HG23 VAL A 7 -2.307 -6.475 4.716 1.00 44.03 H new ATOM 125 N VAL A 8 1.312 -3.696 2.323 1.00 51.21 N ATOM 126 CA VAL A 8 1.715 -2.762 1.283 1.00 4.40 C ATOM 127 C VAL A 8 2.004 -3.485 -0.028 1.00 33.35 C ATOM 128 O VAL A 8 2.757 -4.458 -0.060 1.00 72.20 O ATOM 129 CB VAL A 8 2.963 -1.966 1.704 1.00 22.44 C ATOM 130 CG1 VAL A 8 3.239 -0.850 0.713 1.00 2.41 C ATOM 131 CG2 VAL A 8 2.794 -1.412 3.110 1.00 1.22 C ATOM 0 H VAL A 8 2.058 -3.957 2.968 1.00 51.21 H new ATOM 0 HA VAL A 8 0.883 -2.073 1.135 1.00 4.40 H new ATOM 0 HB VAL A 8 3.820 -2.640 1.706 1.00 22.44 H new ATOM 0 HG11 VAL A 8 4.125 -0.297 1.025 1.00 2.41 H new ATOM 0 HG12 VAL A 8 3.407 -1.275 -0.276 1.00 2.41 H new ATOM 0 HG13 VAL A 8 2.384 -0.175 0.677 1.00 2.41 H new ATOM 0 HG21 VAL A 8 3.686 -0.852 3.390 1.00 1.22 H new ATOM 0 HG22 VAL A 8 1.927 -0.752 3.139 1.00 1.22 H new ATOM 0 HG23 VAL A 8 2.647 -2.235 3.810 1.00 1.22 H new ATOM 141 N VAL A 9 1.399 -3.002 -1.108 1.00 51.44 N ATOM 142 CA VAL A 9 1.589 -3.600 -2.423 1.00 71.05 C ATOM 143 C VAL A 9 1.745 -2.527 -3.495 1.00 63.40 C ATOM 144 O VAL A 9 1.263 -1.405 -3.339 1.00 4.23 O ATOM 145 CB VAL A 9 0.411 -4.519 -2.798 1.00 23.13 C ATOM 146 CG1 VAL A 9 0.331 -5.701 -1.844 1.00 14.10 C ATOM 147 CG2 VAL A 9 -0.895 -3.739 -2.802 1.00 53.11 C ATOM 0 H VAL A 9 0.772 -2.197 -1.098 1.00 51.44 H new ATOM 0 HA VAL A 9 2.501 -4.195 -2.372 1.00 71.05 H new ATOM 0 HB VAL A 9 0.581 -4.904 -3.804 1.00 23.13 H new ATOM 0 HG11 VAL A 9 -0.507 -6.339 -2.125 1.00 14.10 H new ATOM 0 HG12 VAL A 9 1.257 -6.274 -1.896 1.00 14.10 H new ATOM 0 HG13 VAL A 9 0.186 -5.338 -0.826 1.00 14.10 H new ATOM 0 HG21 VAL A 9 -1.716 -4.405 -3.069 1.00 53.11 H new ATOM 0 HG22 VAL A 9 -1.073 -3.323 -1.810 1.00 53.11 H new ATOM 0 HG23 VAL A 9 -0.833 -2.930 -3.529 1.00 53.11 H new ATOM 157 N GLY A 10 2.421 -2.878 -4.584 1.00 23.11 N ATOM 158 CA GLY A 10 2.628 -1.933 -5.664 1.00 43.24 C ATOM 159 C GLY A 10 3.229 -2.582 -6.895 1.00 25.33 C ATOM 160 O GLY A 10 3.218 -3.805 -7.027 1.00 44.05 O ATOM 0 H GLY A 10 2.829 -3.800 -4.737 1.00 23.11 H new ATOM 0 HA2 GLY A 10 1.676 -1.473 -5.928 1.00 43.24 H new ATOM 0 HA3 GLY A 10 3.284 -1.133 -5.322 1.00 43.24 H new ATOM 164 N ALA A 11 3.754 -1.761 -7.798 1.00 13.14 N ATOM 165 CA ALA A 11 4.361 -2.264 -9.024 1.00 44.43 C ATOM 166 C ALA A 11 5.880 -2.345 -8.899 1.00 61.11 C ATOM 167 O ALA A 11 6.594 -2.348 -9.902 1.00 1.22 O ATOM 168 CB ALA A 11 3.971 -1.385 -10.203 1.00 1.31 C ATOM 0 H ALA A 11 3.771 -0.745 -7.704 1.00 13.14 H new ATOM 0 HA ALA A 11 3.987 -3.273 -9.196 1.00 44.43 H new ATOM 0 HB1 ALA A 11 4.431 -1.771 -11.113 1.00 1.31 H new ATOM 0 HB2 ALA A 11 2.887 -1.387 -10.315 1.00 1.31 H new ATOM 0 HB3 ALA A 11 4.316 -0.366 -10.027 1.00 1.31 H new ATOM 174 N GLY A 12 6.369 -2.414 -7.664 1.00 30.53 N ATOM 175 CA GLY A 12 7.799 -2.498 -7.436 1.00 75.34 C ATOM 176 C GLY A 12 8.514 -1.186 -7.696 1.00 3.35 C ATOM 177 O GLY A 12 9.110 -0.607 -6.788 1.00 52.31 O ATOM 0 H GLY A 12 5.800 -2.413 -6.818 1.00 30.53 H new ATOM 0 HA2 GLY A 12 7.981 -2.808 -6.407 1.00 75.34 H new ATOM 0 HA3 GLY A 12 8.220 -3.270 -8.080 1.00 75.34 H new ATOM 181 N GLY A 13 8.460 -0.717 -8.939 1.00 44.31 N ATOM 182 CA GLY A 13 9.117 0.529 -9.290 1.00 52.33 C ATOM 183 C GLY A 13 8.195 1.729 -9.190 1.00 60.45 C ATOM 184 O GLY A 13 8.258 2.638 -10.017 1.00 23.21 O ATOM 0 H GLY A 13 7.974 -1.177 -9.709 1.00 44.31 H new ATOM 0 HA2 GLY A 13 9.974 0.680 -8.634 1.00 52.33 H new ATOM 0 HA3 GLY A 13 9.503 0.457 -10.307 1.00 52.33 H new ATOM 188 N VAL A 14 7.336 1.733 -8.176 1.00 71.01 N ATOM 189 CA VAL A 14 6.399 2.831 -7.973 1.00 35.25 C ATOM 190 C VAL A 14 6.751 3.638 -6.726 1.00 21.24 C ATOM 191 O VAL A 14 6.440 4.825 -6.635 1.00 60.42 O ATOM 192 CB VAL A 14 4.951 2.317 -7.851 1.00 31.03 C ATOM 193 CG1 VAL A 14 4.545 1.568 -9.110 1.00 62.12 C ATOM 194 CG2 VAL A 14 4.796 1.431 -6.623 1.00 12.32 C ATOM 0 H VAL A 14 7.270 0.988 -7.482 1.00 71.01 H new ATOM 0 HA VAL A 14 6.475 3.476 -8.848 1.00 35.25 H new ATOM 0 HB VAL A 14 4.290 3.176 -7.734 1.00 31.03 H new ATOM 0 HG11 VAL A 14 3.520 1.212 -9.007 1.00 62.12 H new ATOM 0 HG12 VAL A 14 4.612 2.236 -9.969 1.00 62.12 H new ATOM 0 HG13 VAL A 14 5.211 0.718 -9.258 1.00 62.12 H new ATOM 0 HG21 VAL A 14 3.767 1.079 -6.556 1.00 12.32 H new ATOM 0 HG22 VAL A 14 5.467 0.576 -6.704 1.00 12.32 H new ATOM 0 HG23 VAL A 14 5.043 2.003 -5.728 1.00 12.32 H new ATOM 204 N GLY A 15 7.399 2.985 -5.766 1.00 74.54 N ATOM 205 CA GLY A 15 7.780 3.656 -4.537 1.00 5.32 C ATOM 206 C GLY A 15 7.030 3.126 -3.330 1.00 43.24 C ATOM 207 O GLY A 15 6.848 3.837 -2.342 1.00 33.04 O ATOM 0 H GLY A 15 7.667 2.002 -5.818 1.00 74.54 H new ATOM 0 HA2 GLY A 15 8.851 3.534 -4.377 1.00 5.32 H new ATOM 0 HA3 GLY A 15 7.592 4.725 -4.637 1.00 5.32 H new ATOM 211 N LYS A 16 6.594 1.872 -3.410 1.00 4.54 N ATOM 212 CA LYS A 16 5.860 1.247 -2.316 1.00 33.24 C ATOM 213 C LYS A 16 6.745 1.103 -1.082 1.00 54.51 C ATOM 214 O LYS A 16 6.267 1.187 0.049 1.00 72.22 O ATOM 215 CB LYS A 16 5.335 -0.125 -2.745 1.00 23.31 C ATOM 216 CG LYS A 16 6.386 -0.999 -3.410 1.00 2.02 C ATOM 217 CD LYS A 16 5.908 -2.435 -3.554 1.00 43.03 C ATOM 218 CE LYS A 16 6.270 -3.269 -2.336 1.00 12.13 C ATOM 219 NZ LYS A 16 5.434 -4.497 -2.235 1.00 4.32 N ATOM 0 H LYS A 16 6.737 1.270 -4.221 1.00 4.54 H new ATOM 0 HA LYS A 16 5.016 1.888 -2.063 1.00 33.24 H new ATOM 0 HB2 LYS A 16 4.943 -0.644 -1.870 1.00 23.31 H new ATOM 0 HB3 LYS A 16 4.501 0.013 -3.433 1.00 23.31 H new ATOM 0 HG2 LYS A 16 6.628 -0.595 -4.393 1.00 2.02 H new ATOM 0 HG3 LYS A 16 7.304 -0.977 -2.822 1.00 2.02 H new ATOM 0 HD2 LYS A 16 4.827 -2.447 -3.696 1.00 43.03 H new ATOM 0 HD3 LYS A 16 6.352 -2.879 -4.445 1.00 43.03 H new ATOM 0 HE2 LYS A 16 7.322 -3.549 -2.388 1.00 12.13 H new ATOM 0 HE3 LYS A 16 6.144 -2.669 -1.435 1.00 12.13 H new ATOM 0 HZ1 LYS A 16 5.966 -5.239 -1.738 1.00 4.32 H new ATOM 0 HZ2 LYS A 16 4.564 -4.282 -1.707 1.00 4.32 H new ATOM 0 HZ3 LYS A 16 5.187 -4.828 -3.189 1.00 4.32 H new ATOM 233 N SER A 17 8.037 0.887 -1.307 1.00 51.04 N ATOM 234 CA SER A 17 8.987 0.733 -0.211 1.00 53.32 C ATOM 235 C SER A 17 9.279 2.077 0.448 1.00 4.21 C ATOM 236 O SER A 17 9.561 2.145 1.645 1.00 11.45 O ATOM 237 CB SER A 17 10.288 0.105 -0.717 1.00 3.41 C ATOM 238 OG SER A 17 10.696 0.684 -1.945 1.00 14.35 O ATOM 0 H SER A 17 8.450 0.815 -2.237 1.00 51.04 H new ATOM 0 HA SER A 17 8.541 0.073 0.533 1.00 53.32 H new ATOM 0 HB2 SER A 17 11.072 0.238 0.028 1.00 3.41 H new ATOM 0 HB3 SER A 17 10.150 -0.968 -0.847 1.00 3.41 H new ATOM 0 HG SER A 17 11.530 0.265 -2.243 1.00 14.35 H new ATOM 244 N ALA A 18 9.210 3.144 -0.341 1.00 62.14 N ATOM 245 CA ALA A 18 9.468 4.487 0.164 1.00 3.32 C ATOM 246 C ALA A 18 8.375 4.930 1.131 1.00 3.03 C ATOM 247 O ALA A 18 8.658 5.350 2.253 1.00 71.03 O ATOM 248 CB ALA A 18 9.584 5.470 -0.991 1.00 73.25 C ATOM 0 H ALA A 18 8.977 3.104 -1.333 1.00 62.14 H new ATOM 0 HA ALA A 18 10.412 4.469 0.709 1.00 3.32 H new ATOM 0 HB1 ALA A 18 9.777 6.469 -0.600 1.00 73.25 H new ATOM 0 HB2 ALA A 18 10.405 5.171 -1.643 1.00 73.25 H new ATOM 0 HB3 ALA A 18 8.654 5.476 -1.559 1.00 73.25 H new ATOM 254 N LEU A 19 7.124 4.835 0.689 1.00 22.24 N ATOM 255 CA LEU A 19 5.987 5.228 1.515 1.00 11.44 C ATOM 256 C LEU A 19 5.971 4.456 2.831 1.00 62.51 C ATOM 257 O LEU A 19 5.502 4.960 3.851 1.00 74.22 O ATOM 258 CB LEU A 19 4.676 4.997 0.759 1.00 60.14 C ATOM 259 CG LEU A 19 4.510 5.820 -0.519 1.00 53.22 C ATOM 260 CD1 LEU A 19 3.214 5.453 -1.225 1.00 71.02 C ATOM 261 CD2 LEU A 19 4.543 7.308 -0.202 1.00 64.40 C ATOM 0 H LEU A 19 6.872 4.489 -0.237 1.00 22.24 H new ATOM 0 HA LEU A 19 6.088 6.290 1.741 1.00 11.44 H new ATOM 0 HB2 LEU A 19 4.603 3.940 0.504 1.00 60.14 H new ATOM 0 HB3 LEU A 19 3.845 5.221 1.428 1.00 60.14 H new ATOM 0 HG LEU A 19 5.341 5.592 -1.186 1.00 53.22 H new ATOM 0 HD11 LEU A 19 3.113 6.049 -2.132 1.00 71.02 H new ATOM 0 HD12 LEU A 19 3.229 4.395 -1.485 1.00 71.02 H new ATOM 0 HD13 LEU A 19 2.371 5.652 -0.564 1.00 71.02 H new ATOM 0 HD21 LEU A 19 4.424 7.879 -1.123 1.00 64.40 H new ATOM 0 HD22 LEU A 19 3.732 7.552 0.484 1.00 64.40 H new ATOM 0 HD23 LEU A 19 5.497 7.560 0.260 1.00 64.40 H new ATOM 273 N THR A 20 6.485 3.230 2.801 1.00 35.44 N ATOM 274 CA THR A 20 6.529 2.390 3.993 1.00 14.10 C ATOM 275 C THR A 20 7.461 2.984 5.044 1.00 3.45 C ATOM 276 O THR A 20 7.102 3.095 6.216 1.00 41.13 O ATOM 277 CB THR A 20 6.985 0.976 3.631 1.00 0.33 C ATOM 278 OG1 THR A 20 6.115 0.398 2.674 1.00 23.53 O ATOM 279 CG2 THR A 20 7.045 0.042 4.821 1.00 31.23 C ATOM 0 H THR A 20 6.877 2.797 1.965 1.00 35.44 H new ATOM 0 HA THR A 20 5.523 2.344 4.410 1.00 14.10 H new ATOM 0 HB THR A 20 7.992 1.092 3.230 1.00 0.33 H new ATOM 0 HG1 THR A 20 6.306 0.774 1.789 1.00 23.53 H new ATOM 0 HG21 THR A 20 7.376 -0.944 4.494 1.00 31.23 H new ATOM 0 HG22 THR A 20 7.747 0.434 5.556 1.00 31.23 H new ATOM 0 HG23 THR A 20 6.055 -0.038 5.271 1.00 31.23 H new ATOM 287 N ILE A 21 8.660 3.364 4.615 1.00 3.42 N ATOM 288 CA ILE A 21 9.645 3.945 5.512 1.00 43.41 C ATOM 289 C ILE A 21 9.296 5.398 5.832 1.00 13.15 C ATOM 290 O ILE A 21 9.587 5.891 6.922 1.00 61.12 O ATOM 291 CB ILE A 21 11.060 3.859 4.894 1.00 42.44 C ATOM 292 CG1 ILE A 21 11.686 2.496 5.195 1.00 1.22 C ATOM 293 CG2 ILE A 21 11.955 4.977 5.407 1.00 64.23 C ATOM 294 CD1 ILE A 21 10.829 1.326 4.763 1.00 25.42 C ATOM 0 H ILE A 21 8.971 3.278 3.647 1.00 3.42 H new ATOM 0 HA ILE A 21 9.635 3.375 6.441 1.00 43.41 H new ATOM 0 HB ILE A 21 10.965 3.975 3.814 1.00 42.44 H new ATOM 0 HG12 ILE A 21 12.653 2.431 4.695 1.00 1.22 H new ATOM 0 HG13 ILE A 21 11.875 2.421 6.266 1.00 1.22 H new ATOM 0 HG21 ILE A 21 12.943 4.889 4.954 1.00 64.23 H new ATOM 0 HG22 ILE A 21 11.520 5.941 5.144 1.00 64.23 H new ATOM 0 HG23 ILE A 21 12.045 4.903 6.491 1.00 64.23 H new ATOM 0 HD11 ILE A 21 11.337 0.393 5.008 1.00 25.42 H new ATOM 0 HD12 ILE A 21 9.871 1.365 5.282 1.00 25.42 H new ATOM 0 HD13 ILE A 21 10.661 1.376 3.687 1.00 25.42 H new ATOM 306 N GLN A 22 8.670 6.076 4.876 1.00 24.52 N ATOM 307 CA GLN A 22 8.281 7.469 5.060 1.00 50.14 C ATOM 308 C GLN A 22 7.302 7.609 6.221 1.00 64.41 C ATOM 309 O GLN A 22 7.307 8.612 6.934 1.00 35.31 O ATOM 310 CB GLN A 22 7.652 8.018 3.778 1.00 41.34 C ATOM 311 CG GLN A 22 8.670 8.407 2.719 1.00 1.51 C ATOM 312 CD GLN A 22 9.693 9.401 3.232 1.00 31.33 C ATOM 313 OE1 GLN A 22 9.462 10.090 4.225 1.00 5.20 O ATOM 314 NE2 GLN A 22 10.833 9.480 2.555 1.00 44.51 N ATOM 0 H GLN A 22 8.422 5.684 3.968 1.00 24.52 H new ATOM 0 HA GLN A 22 9.177 8.044 5.291 1.00 50.14 H new ATOM 0 HB2 GLN A 22 6.978 7.268 3.364 1.00 41.34 H new ATOM 0 HB3 GLN A 22 7.046 8.890 4.025 1.00 41.34 H new ATOM 0 HG2 GLN A 22 9.183 7.512 2.367 1.00 1.51 H new ATOM 0 HG3 GLN A 22 8.151 8.835 1.861 1.00 1.51 H new ATOM 0 HE21 GLN A 22 10.982 8.889 1.737 1.00 44.51 H new ATOM 0 HE22 GLN A 22 11.559 10.131 2.853 1.00 44.51 H new ATOM 323 N LEU A 23 6.464 6.594 6.404 1.00 64.43 N ATOM 324 CA LEU A 23 5.478 6.599 7.479 1.00 75.23 C ATOM 325 C LEU A 23 6.133 6.287 8.821 1.00 1.50 C ATOM 326 O LEU A 23 5.908 6.984 9.810 1.00 53.24 O ATOM 327 CB LEU A 23 4.373 5.581 7.188 1.00 12.04 C ATOM 328 CG LEU A 23 3.035 5.861 7.875 1.00 12.03 C ATOM 329 CD1 LEU A 23 3.156 5.671 9.379 1.00 11.22 C ATOM 330 CD2 LEU A 23 2.554 7.266 7.550 1.00 24.43 C ATOM 0 H LEU A 23 6.448 5.757 5.821 1.00 64.43 H new ATOM 0 HA LEU A 23 5.040 7.596 7.533 1.00 75.23 H new ATOM 0 HB2 LEU A 23 4.210 5.543 6.111 1.00 12.04 H new ATOM 0 HB3 LEU A 23 4.721 4.594 7.493 1.00 12.04 H new ATOM 0 HG LEU A 23 2.299 5.150 7.499 1.00 12.03 H new ATOM 0 HD11 LEU A 23 2.194 5.875 9.850 1.00 11.22 H new ATOM 0 HD12 LEU A 23 3.455 4.645 9.593 1.00 11.22 H new ATOM 0 HD13 LEU A 23 3.906 6.357 9.773 1.00 11.22 H new ATOM 0 HD21 LEU A 23 1.601 7.448 8.047 1.00 24.43 H new ATOM 0 HD22 LEU A 23 3.289 7.992 7.898 1.00 24.43 H new ATOM 0 HD23 LEU A 23 2.426 7.367 6.472 1.00 24.43 H new ATOM 342 N ILE A 24 6.941 5.233 8.847 1.00 43.21 N ATOM 343 CA ILE A 24 7.627 4.824 10.067 1.00 64.23 C ATOM 344 C ILE A 24 8.751 5.793 10.420 1.00 21.21 C ATOM 345 O ILE A 24 8.660 6.531 11.401 1.00 64.21 O ATOM 346 CB ILE A 24 8.204 3.400 9.934 1.00 14.22 C ATOM 347 CG1 ILE A 24 7.095 2.412 9.571 1.00 12.20 C ATOM 348 CG2 ILE A 24 8.895 2.979 11.224 1.00 60.34 C ATOM 349 CD1 ILE A 24 6.111 2.170 10.695 1.00 41.42 C ATOM 0 H ILE A 24 7.137 4.646 8.036 1.00 43.21 H new ATOM 0 HA ILE A 24 6.886 4.833 10.867 1.00 64.23 H new ATOM 0 HB ILE A 24 8.945 3.399 9.135 1.00 14.22 H new ATOM 0 HG12 ILE A 24 6.556 2.787 8.701 1.00 12.20 H new ATOM 0 HG13 ILE A 24 7.545 1.462 9.282 1.00 12.20 H new ATOM 0 HG21 ILE A 24 9.295 1.972 11.110 1.00 60.34 H new ATOM 0 HG22 ILE A 24 9.709 3.670 11.443 1.00 60.34 H new ATOM 0 HG23 ILE A 24 8.176 2.993 12.043 1.00 60.34 H new ATOM 0 HD11 ILE A 24 5.352 1.459 10.368 1.00 41.42 H new ATOM 0 HD12 ILE A 24 6.638 1.766 11.559 1.00 41.42 H new ATOM 0 HD13 ILE A 24 5.633 3.111 10.969 1.00 41.42 H new ATOM 361 N GLN A 25 9.811 5.785 9.619 1.00 23.21 N ATOM 362 CA GLN A 25 10.950 6.662 9.855 1.00 20.12 C ATOM 363 C GLN A 25 10.700 8.053 9.247 1.00 55.23 C ATOM 364 O GLN A 25 9.744 8.726 9.633 1.00 43.21 O ATOM 365 CB GLN A 25 12.227 6.013 9.311 1.00 71.35 C ATOM 366 CG GLN A 25 12.645 4.779 10.089 1.00 72.03 C ATOM 367 CD GLN A 25 13.885 4.124 9.519 1.00 32.52 C ATOM 368 OE1 GLN A 25 14.974 4.697 9.545 1.00 25.31 O ATOM 369 NE2 GLN A 25 13.724 2.915 9.000 1.00 61.32 N ATOM 0 H GLN A 25 9.904 5.182 8.802 1.00 23.21 H new ATOM 0 HA GLN A 25 11.080 6.805 10.928 1.00 20.12 H new ATOM 0 HB2 GLN A 25 12.073 5.742 8.266 1.00 71.35 H new ATOM 0 HB3 GLN A 25 13.037 6.742 9.335 1.00 71.35 H new ATOM 0 HG2 GLN A 25 12.829 5.054 11.128 1.00 72.03 H new ATOM 0 HG3 GLN A 25 11.826 4.060 10.089 1.00 72.03 H new ATOM 0 HE21 GLN A 25 12.802 2.479 9.000 1.00 61.32 H new ATOM 0 HE22 GLN A 25 14.522 2.421 8.600 1.00 61.32 H new ATOM 588 N TYR A 40 7.289 -3.118 10.084 1.00 43.22 N ATOM 589 CA TYR A 40 7.373 -2.093 11.117 1.00 33.41 C ATOM 590 C TYR A 40 6.077 -2.026 11.918 1.00 25.32 C ATOM 591 O TYR A 40 5.023 -2.456 11.450 1.00 1.53 O ATOM 592 CB TYR A 40 7.669 -0.729 10.489 1.00 74.42 C ATOM 593 CG TYR A 40 8.723 -0.777 9.406 1.00 34.23 C ATOM 594 CD1 TYR A 40 8.402 -1.177 8.115 1.00 34.31 C ATOM 595 CD2 TYR A 40 10.039 -0.425 9.676 1.00 10.31 C ATOM 596 CE1 TYR A 40 9.363 -1.223 7.122 1.00 4.52 C ATOM 597 CE2 TYR A 40 11.006 -0.468 8.689 1.00 34.31 C ATOM 598 CZ TYR A 40 10.663 -0.867 7.415 1.00 50.44 C ATOM 599 OH TYR A 40 11.622 -0.912 6.430 1.00 21.11 O ATOM 0 HA TYR A 40 8.186 -2.357 11.793 1.00 33.41 H new ATOM 0 HB2 TYR A 40 6.748 -0.324 10.070 1.00 74.42 H new ATOM 0 HB3 TYR A 40 7.994 -0.042 11.270 1.00 74.42 H new ATOM 0 HD1 TYR A 40 7.385 -1.457 7.883 1.00 34.31 H new ATOM 0 HD2 TYR A 40 10.311 -0.113 10.673 1.00 10.31 H new ATOM 0 HE1 TYR A 40 9.097 -1.536 6.123 1.00 4.52 H new ATOM 0 HE2 TYR A 40 12.025 -0.190 8.915 1.00 34.31 H new ATOM 0 HH TYR A 40 11.286 -1.432 5.670 1.00 21.11 H new ATOM 609 N ARG A 41 6.162 -1.484 13.129 1.00 41.10 N ATOM 610 CA ARG A 41 4.993 -1.363 13.992 1.00 71.02 C ATOM 611 C ARG A 41 4.974 -0.012 14.699 1.00 3.30 C ATOM 612 O ARG A 41 5.746 0.225 15.627 1.00 52.03 O ATOM 613 CB ARG A 41 4.977 -2.493 15.024 1.00 70.22 C ATOM 614 CG ARG A 41 4.834 -3.876 14.411 1.00 54.32 C ATOM 615 CD ARG A 41 5.511 -4.937 15.264 1.00 5.44 C ATOM 616 NE ARG A 41 6.943 -4.687 15.415 1.00 61.45 N ATOM 617 CZ ARG A 41 7.705 -5.275 16.335 1.00 73.14 C ATOM 618 NH1 ARG A 41 7.178 -6.146 17.187 1.00 1.21 N ATOM 619 NH2 ARG A 41 8.999 -4.991 16.404 1.00 40.42 N ATOM 0 H ARG A 41 7.026 -1.123 13.534 1.00 41.10 H new ATOM 0 HA ARG A 41 4.103 -1.437 13.368 1.00 71.02 H new ATOM 0 HB2 ARG A 41 5.899 -2.456 15.605 1.00 70.22 H new ATOM 0 HB3 ARG A 41 4.155 -2.327 15.720 1.00 70.22 H new ATOM 0 HG2 ARG A 41 3.777 -4.118 14.299 1.00 54.32 H new ATOM 0 HG3 ARG A 41 5.269 -3.879 13.412 1.00 54.32 H new ATOM 0 HD2 ARG A 41 5.042 -4.965 16.248 1.00 5.44 H new ATOM 0 HD3 ARG A 41 5.360 -5.917 14.811 1.00 5.44 H new ATOM 0 HE ARG A 41 7.384 -4.023 14.778 1.00 61.45 H new ATOM 0 HH11 ARG A 41 6.184 -6.368 17.139 1.00 1.21 H new ATOM 0 HH12 ARG A 41 7.767 -6.593 17.889 1.00 1.21 H new ATOM 0 HH21 ARG A 41 9.410 -4.322 15.752 1.00 40.42 H new ATOM 0 HH22 ARG A 41 9.583 -5.441 17.109 1.00 40.42 H new ATOM 633 N LYS A 42 4.083 0.870 14.255 1.00 41.44 N ATOM 634 CA LYS A 42 3.961 2.197 14.849 1.00 41.41 C ATOM 635 C LYS A 42 2.655 2.325 15.623 1.00 1.04 C ATOM 636 O LYS A 42 1.636 1.750 15.243 1.00 23.12 O ATOM 637 CB LYS A 42 4.030 3.277 13.769 1.00 65.00 C ATOM 638 CG LYS A 42 4.386 4.654 14.307 1.00 4.42 C ATOM 639 CD LYS A 42 4.528 5.671 13.185 1.00 20.14 C ATOM 640 CE LYS A 42 5.467 6.801 13.572 1.00 74.24 C ATOM 641 NZ LYS A 42 6.170 7.370 12.390 1.00 24.40 N ATOM 0 H LYS A 42 3.436 0.690 13.487 1.00 41.44 H new ATOM 0 HA LYS A 42 4.793 2.333 15.540 1.00 41.41 H new ATOM 0 HB2 LYS A 42 4.769 2.986 13.022 1.00 65.00 H new ATOM 0 HB3 LYS A 42 3.068 3.332 13.260 1.00 65.00 H new ATOM 0 HG2 LYS A 42 3.615 4.984 15.003 1.00 4.42 H new ATOM 0 HG3 LYS A 42 5.319 4.597 14.868 1.00 4.42 H new ATOM 0 HD2 LYS A 42 4.903 5.176 12.289 1.00 20.14 H new ATOM 0 HD3 LYS A 42 3.548 6.080 12.937 1.00 20.14 H new ATOM 0 HE2 LYS A 42 4.901 7.588 14.071 1.00 74.24 H new ATOM 0 HE3 LYS A 42 6.201 6.433 14.288 1.00 74.24 H new ATOM 0 HZ1 LYS A 42 6.299 8.393 12.522 1.00 24.40 H new ATOM 0 HZ2 LYS A 42 7.099 6.914 12.286 1.00 24.40 H new ATOM 0 HZ3 LYS A 42 5.604 7.200 11.534 1.00 24.40 H new ATOM 655 N GLN A 43 2.693 3.084 16.710 1.00 72.51 N ATOM 656 CA GLN A 43 1.513 3.290 17.540 1.00 53.30 C ATOM 657 C GLN A 43 0.978 4.709 17.373 1.00 25.33 C ATOM 658 O GLN A 43 1.679 5.682 17.648 1.00 24.24 O ATOM 659 CB GLN A 43 1.844 3.029 19.010 1.00 63.52 C ATOM 660 CG GLN A 43 0.618 2.944 19.904 1.00 51.02 C ATOM 661 CD GLN A 43 0.882 3.458 21.306 1.00 74.00 C ATOM 662 OE1 GLN A 43 1.791 2.990 21.991 1.00 11.11 O ATOM 663 NE2 GLN A 43 0.084 4.427 21.740 1.00 2.45 N ATOM 0 H GLN A 43 3.529 3.568 17.038 1.00 72.51 H new ATOM 0 HA GLN A 43 0.745 2.587 17.219 1.00 53.30 H new ATOM 0 HB2 GLN A 43 2.405 2.098 19.088 1.00 63.52 H new ATOM 0 HB3 GLN A 43 2.494 3.824 19.374 1.00 63.52 H new ATOM 0 HG2 GLN A 43 -0.193 3.518 19.457 1.00 51.02 H new ATOM 0 HG3 GLN A 43 0.283 1.908 19.958 1.00 51.02 H new ATOM 0 HE21 GLN A 43 -0.657 4.785 21.138 1.00 2.45 H new ATOM 0 HE22 GLN A 43 0.213 4.813 22.675 1.00 2.45 H new ATOM 672 N VAL A 44 -0.266 4.819 16.921 1.00 24.35 N ATOM 673 CA VAL A 44 -0.889 6.121 16.717 1.00 31.41 C ATOM 674 C VAL A 44 -2.325 6.133 17.230 1.00 74.10 C ATOM 675 O VAL A 44 -2.847 5.109 17.669 1.00 22.21 O ATOM 676 CB VAL A 44 -0.884 6.519 15.229 1.00 52.23 C ATOM 677 CG1 VAL A 44 0.542 6.676 14.722 1.00 22.24 C ATOM 678 CG2 VAL A 44 -1.643 5.495 14.398 1.00 5.13 C ATOM 0 H VAL A 44 -0.862 4.024 16.689 1.00 24.35 H new ATOM 0 HA VAL A 44 -0.300 6.844 17.282 1.00 31.41 H new ATOM 0 HB VAL A 44 -1.389 7.480 15.128 1.00 52.23 H new ATOM 0 HG11 VAL A 44 0.525 6.957 13.669 1.00 22.24 H new ATOM 0 HG12 VAL A 44 1.049 7.451 15.296 1.00 22.24 H new ATOM 0 HG13 VAL A 44 1.075 5.732 14.837 1.00 22.24 H new ATOM 0 HG21 VAL A 44 -1.628 5.794 13.350 1.00 5.13 H new ATOM 0 HG22 VAL A 44 -1.170 4.518 14.504 1.00 5.13 H new ATOM 0 HG23 VAL A 44 -2.675 5.438 14.744 1.00 5.13 H new ATOM 688 N VAL A 45 -2.957 7.301 17.169 1.00 75.23 N ATOM 689 CA VAL A 45 -4.334 7.449 17.625 1.00 12.02 C ATOM 690 C VAL A 45 -5.261 7.791 16.465 1.00 55.22 C ATOM 691 O VAL A 45 -5.320 8.938 16.021 1.00 60.24 O ATOM 692 CB VAL A 45 -4.453 8.544 18.702 1.00 34.33 C ATOM 693 CG1 VAL A 45 -5.850 8.550 19.305 1.00 63.21 C ATOM 694 CG2 VAL A 45 -3.400 8.347 19.782 1.00 22.01 C ATOM 0 H VAL A 45 -2.537 8.158 16.808 1.00 75.23 H new ATOM 0 HA VAL A 45 -4.631 6.492 18.055 1.00 12.02 H new ATOM 0 HB VAL A 45 -4.281 9.512 18.231 1.00 34.33 H new ATOM 0 HG11 VAL A 45 -5.915 9.330 20.064 1.00 63.21 H new ATOM 0 HG12 VAL A 45 -6.583 8.743 18.522 1.00 63.21 H new ATOM 0 HG13 VAL A 45 -6.053 7.581 19.762 1.00 63.21 H new ATOM 0 HG21 VAL A 45 -3.499 9.130 20.534 1.00 22.01 H new ATOM 0 HG22 VAL A 45 -3.538 7.373 20.251 1.00 22.01 H new ATOM 0 HG23 VAL A 45 -2.407 8.397 19.335 1.00 22.01 H new ATOM 704 N ILE A 46 -5.983 6.789 15.976 1.00 13.34 N ATOM 705 CA ILE A 46 -6.907 6.983 14.865 1.00 61.25 C ATOM 706 C ILE A 46 -8.347 6.728 15.298 1.00 24.53 C ATOM 707 O ILE A 46 -8.630 5.771 16.019 1.00 24.12 O ATOM 708 CB ILE A 46 -6.562 6.059 13.680 1.00 62.32 C ATOM 709 CG1 ILE A 46 -5.087 6.214 13.300 1.00 43.25 C ATOM 710 CG2 ILE A 46 -7.456 6.365 12.487 1.00 24.31 C ATOM 711 CD1 ILE A 46 -4.667 5.345 12.134 1.00 51.33 C ATOM 0 H ILE A 46 -5.946 5.834 16.332 1.00 13.34 H new ATOM 0 HA ILE A 46 -6.807 8.020 14.545 1.00 61.25 H new ATOM 0 HB ILE A 46 -6.736 5.026 13.982 1.00 62.32 H new ATOM 0 HG12 ILE A 46 -4.892 7.258 13.053 1.00 43.25 H new ATOM 0 HG13 ILE A 46 -4.470 5.970 14.165 1.00 43.25 H new ATOM 0 HG21 ILE A 46 -7.198 5.703 11.660 1.00 24.31 H new ATOM 0 HG22 ILE A 46 -8.499 6.210 12.764 1.00 24.31 H new ATOM 0 HG23 ILE A 46 -7.312 7.401 12.181 1.00 24.31 H new ATOM 0 HD11 ILE A 46 -3.610 5.507 11.921 1.00 51.33 H new ATOM 0 HD12 ILE A 46 -4.830 4.297 12.384 1.00 51.33 H new ATOM 0 HD13 ILE A 46 -5.258 5.604 11.256 1.00 51.33 H new ATOM 723 N ASP A 47 -9.254 7.592 14.852 1.00 42.35 N ATOM 724 CA ASP A 47 -10.668 7.466 15.192 1.00 11.51 C ATOM 725 C ASP A 47 -10.902 7.700 16.683 1.00 2.51 C ATOM 726 O ASP A 47 -11.953 7.344 17.217 1.00 40.13 O ATOM 727 CB ASP A 47 -11.192 6.084 14.793 1.00 51.34 C ATOM 728 CG ASP A 47 -12.619 6.131 14.284 1.00 35.10 C ATOM 729 OD1 ASP A 47 -13.063 7.219 13.861 1.00 31.43 O ATOM 730 OD2 ASP A 47 -13.293 5.080 14.308 1.00 11.12 O ATOM 0 H ASP A 47 -9.035 8.388 14.253 1.00 42.35 H new ATOM 0 HA ASP A 47 -11.213 8.229 14.636 1.00 11.51 H new ATOM 0 HB2 ASP A 47 -10.548 5.663 14.021 1.00 51.34 H new ATOM 0 HB3 ASP A 47 -11.138 5.416 15.653 1.00 51.34 H new ATOM 735 N GLY A 48 -9.922 8.304 17.351 1.00 11.13 N ATOM 736 CA GLY A 48 -10.052 8.574 18.771 1.00 31.20 C ATOM 737 C GLY A 48 -9.498 7.458 19.638 1.00 54.33 C ATOM 738 O GLY A 48 -9.210 7.668 20.817 1.00 53.03 O ATOM 0 H GLY A 48 -9.043 8.610 16.934 1.00 11.13 H new ATOM 0 HA2 GLY A 48 -9.533 9.503 19.008 1.00 31.20 H new ATOM 0 HA3 GLY A 48 -11.104 8.726 19.012 1.00 31.20 H new ATOM 742 N GLU A 49 -9.349 6.270 19.060 1.00 72.45 N ATOM 743 CA GLU A 49 -8.829 5.124 19.799 1.00 60.42 C ATOM 744 C GLU A 49 -7.374 4.849 19.431 1.00 72.11 C ATOM 745 O GLU A 49 -6.923 5.191 18.338 1.00 70.13 O ATOM 746 CB GLU A 49 -9.684 3.883 19.526 1.00 34.51 C ATOM 747 CG GLU A 49 -9.535 3.333 18.116 1.00 61.44 C ATOM 748 CD GLU A 49 -10.542 2.242 17.807 1.00 3.35 C ATOM 749 OE1 GLU A 49 -10.525 1.204 18.502 1.00 34.20 O ATOM 750 OE2 GLU A 49 -11.346 2.424 16.869 1.00 4.13 O ATOM 0 H GLU A 49 -9.580 6.076 18.086 1.00 72.45 H new ATOM 0 HA GLU A 49 -8.874 5.360 20.862 1.00 60.42 H new ATOM 0 HB2 GLU A 49 -9.416 3.104 20.240 1.00 34.51 H new ATOM 0 HB3 GLU A 49 -10.731 4.129 19.701 1.00 34.51 H new ATOM 0 HG2 GLU A 49 -9.653 4.145 17.399 1.00 61.44 H new ATOM 0 HG3 GLU A 49 -8.527 2.939 17.988 1.00 61.44 H new ATOM 757 N THR A 50 -6.647 4.225 20.352 1.00 61.02 N ATOM 758 CA THR A 50 -5.244 3.898 20.128 1.00 72.05 C ATOM 759 C THR A 50 -5.107 2.518 19.494 1.00 73.32 C ATOM 760 O THR A 50 -5.694 1.545 19.968 1.00 30.04 O ATOM 761 CB THR A 50 -4.473 3.945 21.449 1.00 50.33 C ATOM 762 OG1 THR A 50 -4.554 5.235 22.030 1.00 53.44 O ATOM 763 CG2 THR A 50 -3.006 3.600 21.303 1.00 35.21 C ATOM 0 H THR A 50 -7.007 3.935 21.261 1.00 61.02 H new ATOM 0 HA THR A 50 -4.825 4.637 19.445 1.00 72.05 H new ATOM 0 HB THR A 50 -4.943 3.193 22.083 1.00 50.33 H new ATOM 0 HG1 THR A 50 -4.057 5.245 22.874 1.00 53.44 H new ATOM 0 HG21 THR A 50 -2.521 3.653 22.278 1.00 35.21 H new ATOM 0 HG22 THR A 50 -2.908 2.591 20.903 1.00 35.21 H new ATOM 0 HG23 THR A 50 -2.532 4.308 20.623 1.00 35.21 H new ATOM 771 N CYS A 51 -4.332 2.440 18.418 1.00 60.43 N ATOM 772 CA CYS A 51 -4.123 1.177 17.720 1.00 3.23 C ATOM 773 C CYS A 51 -2.752 1.140 17.053 1.00 34.21 C ATOM 774 O CYS A 51 -2.241 2.165 16.603 1.00 20.33 O ATOM 775 CB CYS A 51 -5.217 0.962 16.674 1.00 54.02 C ATOM 776 SG CYS A 51 -6.808 0.451 17.364 1.00 42.04 S ATOM 0 H CYS A 51 -3.839 3.235 18.011 1.00 60.43 H new ATOM 0 HA CYS A 51 -4.169 0.374 18.456 1.00 3.23 H new ATOM 0 HB2 CYS A 51 -5.356 1.887 16.114 1.00 54.02 H new ATOM 0 HB3 CYS A 51 -4.882 0.207 15.963 1.00 54.02 H new ATOM 0 HG CYS A 51 -6.843 0.736 18.632 1.00 42.04 H new ATOM 782 N LEU A 52 -2.164 -0.050 16.992 1.00 40.31 N ATOM 783 CA LEU A 52 -0.854 -0.226 16.378 1.00 42.35 C ATOM 784 C LEU A 52 -0.975 -0.296 14.859 1.00 10.23 C ATOM 785 O LEU A 52 -2.045 -0.588 14.325 1.00 11.51 O ATOM 786 CB LEU A 52 -0.187 -1.497 16.913 1.00 24.43 C ATOM 787 CG LEU A 52 1.104 -1.277 17.706 1.00 53.15 C ATOM 788 CD1 LEU A 52 2.265 -0.996 16.766 1.00 62.24 C ATOM 789 CD2 LEU A 52 0.934 -0.141 18.704 1.00 1.32 C ATOM 0 H LEU A 52 -2.575 -0.908 17.361 1.00 40.31 H new ATOM 0 HA LEU A 52 -0.236 0.634 16.635 1.00 42.35 H new ATOM 0 HB2 LEU A 52 -0.900 -2.021 17.550 1.00 24.43 H new ATOM 0 HB3 LEU A 52 0.031 -2.154 16.071 1.00 24.43 H new ATOM 0 HG LEU A 52 1.325 -2.188 18.262 1.00 53.15 H new ATOM 0 HD11 LEU A 52 3.174 -0.842 17.347 1.00 62.24 H new ATOM 0 HD12 LEU A 52 2.403 -1.843 16.094 1.00 62.24 H new ATOM 0 HD13 LEU A 52 2.052 -0.101 16.182 1.00 62.24 H new ATOM 0 HD21 LEU A 52 1.863 -0.001 19.257 1.00 1.32 H new ATOM 0 HD22 LEU A 52 0.687 0.777 18.171 1.00 1.32 H new ATOM 0 HD23 LEU A 52 0.131 -0.385 19.399 1.00 1.32 H new ATOM 801 N LEU A 53 0.127 -0.026 14.168 1.00 33.14 N ATOM 802 CA LEU A 53 0.142 -0.058 12.711 1.00 11.03 C ATOM 803 C LEU A 53 1.268 -0.949 12.197 1.00 11.43 C ATOM 804 O LEU A 53 2.392 -0.490 11.993 1.00 72.21 O ATOM 805 CB LEU A 53 0.300 1.356 12.150 1.00 30.13 C ATOM 806 CG LEU A 53 -0.851 2.312 12.470 1.00 24.44 C ATOM 807 CD1 LEU A 53 -0.637 3.651 11.782 1.00 53.41 C ATOM 808 CD2 LEU A 53 -2.181 1.703 12.053 1.00 60.12 C ATOM 0 H LEU A 53 1.021 0.217 14.594 1.00 33.14 H new ATOM 0 HA LEU A 53 -0.808 -0.472 12.373 1.00 11.03 H new ATOM 0 HB2 LEU A 53 1.225 1.783 12.537 1.00 30.13 H new ATOM 0 HB3 LEU A 53 0.408 1.291 11.067 1.00 30.13 H new ATOM 0 HG LEU A 53 -0.872 2.478 13.547 1.00 24.44 H new ATOM 0 HD11 LEU A 53 -1.465 4.319 12.020 1.00 53.41 H new ATOM 0 HD12 LEU A 53 0.297 4.093 12.129 1.00 53.41 H new ATOM 0 HD13 LEU A 53 -0.590 3.502 10.703 1.00 53.41 H new ATOM 0 HD21 LEU A 53 -2.988 2.397 12.288 1.00 60.12 H new ATOM 0 HD22 LEU A 53 -2.171 1.507 10.981 1.00 60.12 H new ATOM 0 HD23 LEU A 53 -2.338 0.768 12.591 1.00 60.12 H new ATOM 820 N ASP A 54 0.959 -2.224 11.989 1.00 13.33 N ATOM 821 CA ASP A 54 1.946 -3.178 11.498 1.00 3.31 C ATOM 822 C ASP A 54 2.123 -3.046 9.990 1.00 20.33 C ATOM 823 O ASP A 54 1.307 -3.543 9.213 1.00 10.53 O ATOM 824 CB ASP A 54 1.529 -4.607 11.851 1.00 72.22 C ATOM 825 CG ASP A 54 2.720 -5.506 12.119 1.00 42.22 C ATOM 826 OD1 ASP A 54 3.580 -5.635 11.223 1.00 73.41 O ATOM 827 OD2 ASP A 54 2.793 -6.080 13.226 1.00 22.33 O ATOM 0 H ASP A 54 0.034 -2.621 12.153 1.00 13.33 H new ATOM 0 HA ASP A 54 2.898 -2.957 11.980 1.00 3.31 H new ATOM 0 HB2 ASP A 54 0.886 -4.588 12.731 1.00 72.22 H new ATOM 0 HB3 ASP A 54 0.939 -5.023 11.034 1.00 72.22 H new ATOM 832 N ILE A 55 3.192 -2.371 9.583 1.00 22.44 N ATOM 833 CA ILE A 55 3.476 -2.172 8.167 1.00 63.34 C ATOM 834 C ILE A 55 4.238 -3.358 7.585 1.00 4.33 C ATOM 835 O ILE A 55 5.417 -3.554 7.878 1.00 60.22 O ATOM 836 CB ILE A 55 4.295 -0.888 7.929 1.00 25.33 C ATOM 837 CG1 ILE A 55 3.776 0.254 8.807 1.00 53.10 C ATOM 838 CG2 ILE A 55 4.248 -0.496 6.460 1.00 44.12 C ATOM 839 CD1 ILE A 55 2.320 0.590 8.564 1.00 70.12 C ATOM 0 H ILE A 55 3.876 -1.953 10.213 1.00 22.44 H new ATOM 0 HA ILE A 55 2.513 -2.078 7.666 1.00 63.34 H new ATOM 0 HB ILE A 55 5.332 -1.084 8.203 1.00 25.33 H new ATOM 0 HG12 ILE A 55 3.908 -0.015 9.855 1.00 53.10 H new ATOM 0 HG13 ILE A 55 4.381 1.143 8.627 1.00 53.10 H new ATOM 0 HG21 ILE A 55 4.831 0.412 6.307 1.00 44.12 H new ATOM 0 HG22 ILE A 55 4.665 -1.301 5.855 1.00 44.12 H new ATOM 0 HG23 ILE A 55 3.214 -0.318 6.164 1.00 44.12 H new ATOM 0 HD11 ILE A 55 2.021 1.407 9.220 1.00 70.12 H new ATOM 0 HD12 ILE A 55 2.184 0.891 7.525 1.00 70.12 H new ATOM 0 HD13 ILE A 55 1.705 -0.286 8.772 1.00 70.12 H new ATOM 851 N LEU A 56 3.559 -4.144 6.756 1.00 35.40 N ATOM 852 CA LEU A 56 4.177 -5.307 6.130 1.00 53.21 C ATOM 853 C LEU A 56 4.807 -4.928 4.795 1.00 25.21 C ATOM 854 O LEU A 56 4.138 -4.398 3.908 1.00 65.12 O ATOM 855 CB LEU A 56 3.147 -6.418 5.924 1.00 3.20 C ATOM 856 CG LEU A 56 3.724 -7.750 5.441 1.00 24.44 C ATOM 857 CD1 LEU A 56 4.886 -8.183 6.324 1.00 4.11 C ATOM 858 CD2 LEU A 56 2.645 -8.821 5.415 1.00 5.32 C ATOM 0 H LEU A 56 2.582 -3.997 6.502 1.00 35.40 H new ATOM 0 HA LEU A 56 4.959 -5.673 6.795 1.00 53.21 H new ATOM 0 HB2 LEU A 56 2.622 -6.586 6.864 1.00 3.20 H new ATOM 0 HB3 LEU A 56 2.406 -6.077 5.202 1.00 3.20 H new ATOM 0 HG LEU A 56 4.098 -7.614 4.426 1.00 24.44 H new ATOM 0 HD11 LEU A 56 5.282 -9.132 5.964 1.00 4.11 H new ATOM 0 HD12 LEU A 56 5.670 -7.426 6.291 1.00 4.11 H new ATOM 0 HD13 LEU A 56 4.539 -8.301 7.350 1.00 4.11 H new ATOM 0 HD21 LEU A 56 3.074 -9.761 5.069 1.00 5.32 H new ATOM 0 HD22 LEU A 56 2.240 -8.954 6.418 1.00 5.32 H new ATOM 0 HD23 LEU A 56 1.846 -8.516 4.739 1.00 5.32 H new ATOM 870 N ASP A 57 6.099 -5.200 4.662 1.00 41.51 N ATOM 871 CA ASP A 57 6.827 -4.887 3.438 1.00 4.11 C ATOM 872 C ASP A 57 7.275 -6.161 2.731 1.00 52.01 C ATOM 873 O ASP A 57 8.393 -6.636 2.934 1.00 73.22 O ATOM 874 CB ASP A 57 8.040 -4.009 3.751 1.00 12.12 C ATOM 875 CG ASP A 57 8.983 -4.659 4.745 1.00 53.12 C ATOM 876 OD1 ASP A 57 8.540 -4.962 5.873 1.00 45.31 O ATOM 877 OD2 ASP A 57 10.164 -4.863 4.396 1.00 34.42 O ATOM 0 H ASP A 57 6.666 -5.638 5.388 1.00 41.51 H new ATOM 0 HA ASP A 57 6.155 -4.342 2.775 1.00 4.11 H new ATOM 0 HB2 ASP A 57 8.579 -3.797 2.828 1.00 12.12 H new ATOM 0 HB3 ASP A 57 7.700 -3.053 4.149 1.00 12.12 H new ATOM 882 N THR A 58 6.395 -6.711 1.903 1.00 63.34 N ATOM 883 CA THR A 58 6.698 -7.931 1.167 1.00 4.22 C ATOM 884 C THR A 58 7.642 -7.647 0.003 1.00 61.23 C ATOM 885 O THR A 58 8.042 -6.504 -0.220 1.00 21.53 O ATOM 886 CB THR A 58 5.409 -8.571 0.652 1.00 52.00 C ATOM 887 OG1 THR A 58 4.856 -7.808 -0.406 1.00 63.01 O ATOM 888 CG2 THR A 58 4.347 -8.713 1.720 1.00 23.41 C ATOM 0 H THR A 58 5.465 -6.331 1.725 1.00 63.34 H new ATOM 0 HA THR A 58 7.193 -8.624 1.848 1.00 4.22 H new ATOM 0 HB THR A 58 5.696 -9.566 0.311 1.00 52.00 H new ATOM 0 HG1 THR A 58 4.033 -8.236 -0.722 1.00 63.01 H new ATOM 0 HG21 THR A 58 3.458 -9.174 1.290 1.00 23.41 H new ATOM 0 HG22 THR A 58 4.725 -9.339 2.528 1.00 23.41 H new ATOM 0 HG23 THR A 58 4.092 -7.729 2.112 1.00 23.41 H new ATOM 896 N ALA A 59 7.995 -8.695 -0.732 1.00 3.03 N ATOM 897 CA ALA A 59 8.894 -8.560 -1.872 1.00 42.01 C ATOM 898 C ALA A 59 8.252 -7.740 -2.985 1.00 35.42 C ATOM 899 O ALA A 59 7.237 -8.139 -3.557 1.00 5.00 O ATOM 900 CB ALA A 59 9.297 -9.932 -2.391 1.00 11.43 C ATOM 0 H ALA A 59 7.673 -9.647 -0.559 1.00 3.03 H new ATOM 0 HA ALA A 59 9.787 -8.032 -1.537 1.00 42.01 H new ATOM 0 HB1 ALA A 59 9.968 -9.816 -3.242 1.00 11.43 H new ATOM 0 HB2 ALA A 59 9.805 -10.485 -1.601 1.00 11.43 H new ATOM 0 HB3 ALA A 59 8.407 -10.479 -2.702 1.00 11.43 H new ATOM 1002 N MET A 67 4.608 -17.294 -0.148 1.00 11.43 N ATOM 1003 CA MET A 67 4.406 -16.555 1.092 1.00 44.01 C ATOM 1004 C MET A 67 3.463 -15.374 0.877 1.00 72.23 C ATOM 1005 O MET A 67 2.835 -14.891 1.819 1.00 30.03 O ATOM 1006 CB MET A 67 5.746 -16.058 1.639 1.00 41.34 C ATOM 1007 CG MET A 67 6.849 -17.104 1.591 1.00 22.33 C ATOM 1008 SD MET A 67 8.004 -16.962 2.968 1.00 1.41 S ATOM 1009 CE MET A 67 8.246 -15.188 3.030 1.00 35.34 C ATOM 0 HA MET A 67 3.953 -17.231 1.817 1.00 44.01 H new ATOM 0 HB2 MET A 67 6.060 -15.184 1.068 1.00 41.34 H new ATOM 0 HB3 MET A 67 5.610 -15.733 2.670 1.00 41.34 H new ATOM 0 HG2 MET A 67 6.402 -18.098 1.598 1.00 22.33 H new ATOM 0 HG3 MET A 67 7.395 -17.007 0.653 1.00 22.33 H new ATOM 0 HE1 MET A 67 9.234 -14.969 3.436 1.00 35.34 H new ATOM 0 HE2 MET A 67 8.167 -14.775 2.024 1.00 35.34 H new ATOM 0 HE3 MET A 67 7.484 -14.739 3.668 1.00 35.34 H new ATOM 1019 N ARG A 68 3.368 -14.911 -0.367 1.00 45.34 N ATOM 1020 CA ARG A 68 2.502 -13.785 -0.702 1.00 3.12 C ATOM 1021 C ARG A 68 1.076 -14.024 -0.210 1.00 75.40 C ATOM 1022 O ARG A 68 0.465 -13.147 0.402 1.00 31.40 O ATOM 1023 CB ARG A 68 2.498 -13.548 -2.214 1.00 34.13 C ATOM 1024 CG ARG A 68 1.828 -12.247 -2.624 1.00 3.13 C ATOM 1025 CD ARG A 68 2.275 -11.800 -4.007 1.00 55.24 C ATOM 1026 NE ARG A 68 2.113 -12.856 -5.003 1.00 24.30 N ATOM 1027 CZ ARG A 68 2.059 -12.636 -6.315 1.00 40.43 C ATOM 1028 NH1 ARG A 68 2.151 -11.402 -6.794 1.00 41.40 N ATOM 1029 NH2 ARG A 68 1.912 -13.655 -7.152 1.00 13.33 N ATOM 0 H ARG A 68 3.880 -15.299 -1.159 1.00 45.34 H new ATOM 0 HA ARG A 68 2.895 -12.899 -0.202 1.00 3.12 H new ATOM 0 HB2 ARG A 68 3.526 -13.547 -2.576 1.00 34.13 H new ATOM 0 HB3 ARG A 68 1.989 -14.379 -2.702 1.00 34.13 H new ATOM 0 HG2 ARG A 68 0.746 -12.375 -2.614 1.00 3.13 H new ATOM 0 HG3 ARG A 68 2.063 -11.471 -1.896 1.00 3.13 H new ATOM 0 HD2 ARG A 68 1.699 -10.925 -4.309 1.00 55.24 H new ATOM 0 HD3 ARG A 68 3.321 -11.495 -3.969 1.00 55.24 H new ATOM 0 HE ARG A 68 2.037 -13.819 -4.674 1.00 24.30 H new ATOM 0 HH11 ARG A 68 2.264 -10.614 -6.156 1.00 41.40 H new ATOM 0 HH12 ARG A 68 2.109 -11.241 -7.800 1.00 41.40 H new ATOM 0 HH21 ARG A 68 1.840 -14.606 -6.790 1.00 13.33 H new ATOM 0 HH22 ARG A 68 1.871 -13.487 -8.157 1.00 13.33 H new ATOM 1043 N ASP A 69 0.552 -15.216 -0.481 1.00 30.35 N ATOM 1044 CA ASP A 69 -0.801 -15.568 -0.063 1.00 11.32 C ATOM 1045 C ASP A 69 -0.942 -15.470 1.452 1.00 13.03 C ATOM 1046 O ASP A 69 -1.959 -14.999 1.961 1.00 71.23 O ATOM 1047 CB ASP A 69 -1.153 -16.983 -0.530 1.00 13.13 C ATOM 1048 CG ASP A 69 -2.232 -16.990 -1.595 1.00 74.24 C ATOM 1049 OD1 ASP A 69 -2.042 -16.327 -2.637 1.00 70.45 O ATOM 1050 OD2 ASP A 69 -3.267 -17.657 -1.387 1.00 0.44 O ATOM 0 H ASP A 69 1.043 -15.953 -0.987 1.00 30.35 H new ATOM 0 HA ASP A 69 -1.492 -14.861 -0.522 1.00 11.32 H new ATOM 0 HB2 ASP A 69 -0.258 -17.467 -0.921 1.00 13.13 H new ATOM 0 HB3 ASP A 69 -1.486 -17.572 0.324 1.00 13.13 H new ATOM 1055 N GLN A 70 0.085 -15.918 2.166 1.00 21.35 N ATOM 1056 CA GLN A 70 0.076 -15.882 3.623 1.00 15.44 C ATOM 1057 C GLN A 70 -0.105 -14.455 4.129 1.00 74.54 C ATOM 1058 O GLN A 70 -0.856 -14.213 5.072 1.00 32.35 O ATOM 1059 CB GLN A 70 1.375 -16.474 4.176 1.00 43.24 C ATOM 1060 CG GLN A 70 1.495 -16.388 5.690 1.00 43.31 C ATOM 1061 CD GLN A 70 0.445 -17.213 6.408 1.00 41.21 C ATOM 1062 OE1 GLN A 70 -0.746 -17.118 6.111 1.00 72.21 O ATOM 1063 NE2 GLN A 70 0.882 -18.029 7.361 1.00 50.44 N ATOM 0 H GLN A 70 0.934 -16.310 1.759 1.00 21.35 H new ATOM 0 HA GLN A 70 -0.765 -16.481 3.973 1.00 15.44 H new ATOM 0 HB2 GLN A 70 1.444 -17.519 3.875 1.00 43.24 H new ATOM 0 HB3 GLN A 70 2.221 -15.955 3.724 1.00 43.24 H new ATOM 0 HG2 GLN A 70 2.486 -16.727 5.992 1.00 43.31 H new ATOM 0 HG3 GLN A 70 1.407 -15.346 5.999 1.00 43.31 H new ATOM 0 HE21 GLN A 70 1.878 -18.076 7.575 1.00 50.44 H new ATOM 0 HE22 GLN A 70 0.221 -18.608 7.879 1.00 50.44 H new ATOM 1072 N TYR A 71 0.587 -13.513 3.496 1.00 75.51 N ATOM 1073 CA TYR A 71 0.497 -12.112 3.891 1.00 50.24 C ATOM 1074 C TYR A 71 -0.936 -11.611 3.781 1.00 74.21 C ATOM 1075 O TYR A 71 -1.393 -10.820 4.606 1.00 62.14 O ATOM 1076 CB TYR A 71 1.436 -11.257 3.042 1.00 2.51 C ATOM 1077 CG TYR A 71 2.890 -11.550 3.316 1.00 42.31 C ATOM 1078 CD1 TYR A 71 3.332 -11.783 4.611 1.00 1.52 C ATOM 1079 CD2 TYR A 71 3.818 -11.605 2.286 1.00 53.22 C ATOM 1080 CE1 TYR A 71 4.654 -12.061 4.875 1.00 1.41 C ATOM 1081 CE2 TYR A 71 5.146 -11.884 2.541 1.00 23.21 C ATOM 1082 CZ TYR A 71 5.560 -12.112 3.837 1.00 24.24 C ATOM 1083 OH TYR A 71 6.882 -12.391 4.095 1.00 43.44 O ATOM 0 H TYR A 71 1.213 -13.693 2.711 1.00 75.51 H new ATOM 0 HA TYR A 71 0.804 -12.029 4.933 1.00 50.24 H new ATOM 0 HB2 TYR A 71 1.226 -11.431 1.987 1.00 2.51 H new ATOM 0 HB3 TYR A 71 1.238 -10.203 3.237 1.00 2.51 H new ATOM 0 HD1 TYR A 71 2.625 -11.745 5.427 1.00 1.52 H new ATOM 0 HD2 TYR A 71 3.497 -11.427 1.270 1.00 53.22 H new ATOM 0 HE1 TYR A 71 4.980 -12.238 5.889 1.00 1.41 H new ATOM 0 HE2 TYR A 71 5.857 -11.924 1.729 1.00 23.21 H new ATOM 0 HH TYR A 71 7.386 -12.390 3.255 1.00 43.44 H new ATOM 1093 N MET A 72 -1.648 -12.092 2.770 1.00 51.22 N ATOM 1094 CA MET A 72 -3.037 -11.708 2.573 1.00 62.11 C ATOM 1095 C MET A 72 -3.889 -12.275 3.702 1.00 11.40 C ATOM 1096 O MET A 72 -4.764 -11.598 4.241 1.00 34.21 O ATOM 1097 CB MET A 72 -3.542 -12.214 1.221 1.00 42.24 C ATOM 1098 CG MET A 72 -2.595 -11.913 0.070 1.00 31.10 C ATOM 1099 SD MET A 72 -3.461 -11.532 -1.464 1.00 24.32 S ATOM 1100 CE MET A 72 -2.310 -10.391 -2.226 1.00 63.33 C ATOM 0 H MET A 72 -1.287 -12.747 2.076 1.00 51.22 H new ATOM 0 HA MET A 72 -3.111 -10.621 2.582 1.00 62.11 H new ATOM 0 HB2 MET A 72 -3.699 -13.291 1.280 1.00 42.24 H new ATOM 0 HB3 MET A 72 -4.511 -11.762 1.012 1.00 42.24 H new ATOM 0 HG2 MET A 72 -1.957 -11.072 0.341 1.00 31.10 H new ATOM 0 HG3 MET A 72 -1.941 -12.770 -0.090 1.00 31.10 H new ATOM 0 HE1 MET A 72 -2.825 -9.813 -2.993 1.00 63.33 H new ATOM 0 HE2 MET A 72 -1.912 -9.716 -1.469 1.00 63.33 H new ATOM 0 HE3 MET A 72 -1.492 -10.949 -2.681 1.00 63.33 H new ATOM 1110 N ARG A 73 -3.607 -13.524 4.062 1.00 32.53 N ATOM 1111 CA ARG A 73 -4.324 -14.195 5.139 1.00 33.42 C ATOM 1112 C ARG A 73 -3.894 -13.654 6.505 1.00 61.34 C ATOM 1113 O ARG A 73 -4.535 -13.929 7.519 1.00 44.03 O ATOM 1114 CB ARG A 73 -4.076 -15.704 5.076 1.00 51.45 C ATOM 1115 CG ARG A 73 -4.393 -16.312 3.720 1.00 23.30 C ATOM 1116 CD ARG A 73 -4.252 -17.824 3.734 1.00 60.42 C ATOM 1117 NE ARG A 73 -3.017 -18.255 4.386 1.00 42.42 N ATOM 1118 CZ ARG A 73 -2.790 -19.502 4.794 1.00 10.22 C ATOM 1119 NH1 ARG A 73 -3.711 -20.442 4.623 1.00 31.32 N ATOM 1120 NH2 ARG A 73 -1.639 -19.809 5.375 1.00 34.24 N ATOM 0 H ARG A 73 -2.884 -14.093 3.621 1.00 32.53 H new ATOM 0 HA ARG A 73 -5.389 -13.999 5.011 1.00 33.42 H new ATOM 0 HB2 ARG A 73 -3.033 -15.904 5.320 1.00 51.45 H new ATOM 0 HB3 ARG A 73 -4.681 -16.196 5.837 1.00 51.45 H new ATOM 0 HG2 ARG A 73 -5.409 -16.044 3.430 1.00 23.30 H new ATOM 0 HG3 ARG A 73 -3.725 -15.891 2.968 1.00 23.30 H new ATOM 0 HD2 ARG A 73 -5.106 -18.263 4.250 1.00 60.42 H new ATOM 0 HD3 ARG A 73 -4.271 -18.199 2.711 1.00 60.42 H new ATOM 0 HE ARG A 73 -2.286 -17.560 4.537 1.00 42.42 H new ATOM 0 HH11 ARG A 73 -4.599 -20.211 4.177 1.00 31.32 H new ATOM 0 HH12 ARG A 73 -3.531 -21.395 4.938 1.00 31.32 H new ATOM 0 HH21 ARG A 73 -0.928 -19.090 5.509 1.00 34.24 H new ATOM 0 HH22 ARG A 73 -1.464 -20.764 5.688 1.00 34.24 H new ATOM 1134 N THR A 74 -2.808 -12.878 6.523 1.00 41.53 N ATOM 1135 CA THR A 74 -2.299 -12.297 7.761 1.00 73.52 C ATOM 1136 C THR A 74 -2.743 -10.848 7.898 1.00 64.24 C ATOM 1137 O THR A 74 -2.903 -10.337 9.006 1.00 62.02 O ATOM 1138 CB THR A 74 -0.771 -12.344 7.796 1.00 22.21 C ATOM 1139 OG1 THR A 74 -0.226 -11.560 6.752 1.00 21.41 O ATOM 1140 CG2 THR A 74 -0.198 -13.737 7.671 1.00 21.24 C ATOM 0 H THR A 74 -2.266 -12.639 5.693 1.00 41.53 H new ATOM 0 HA THR A 74 -2.701 -12.884 8.586 1.00 73.52 H new ATOM 0 HB THR A 74 -0.498 -11.953 8.776 1.00 22.21 H new ATOM 0 HG1 THR A 74 -0.930 -11.338 6.108 1.00 21.41 H new ATOM 0 HG21 THR A 74 0.890 -13.687 7.704 1.00 21.24 H new ATOM 0 HG22 THR A 74 -0.558 -14.354 8.494 1.00 21.24 H new ATOM 0 HG23 THR A 74 -0.512 -14.176 6.724 1.00 21.24 H new ATOM 1148 N GLY A 75 -2.909 -10.183 6.759 1.00 62.42 N ATOM 1149 CA GLY A 75 -3.296 -8.787 6.763 1.00 50.25 C ATOM 1150 C GLY A 75 -4.793 -8.563 6.808 1.00 33.32 C ATOM 1151 O GLY A 75 -5.578 -9.417 6.394 1.00 61.41 O ATOM 0 H GLY A 75 -2.782 -10.589 5.832 1.00 62.42 H new ATOM 0 HA2 GLY A 75 -2.840 -8.297 7.623 1.00 50.25 H new ATOM 0 HA3 GLY A 75 -2.894 -8.306 5.871 1.00 50.25 H new ATOM 1155 N GLU A 76 -5.180 -7.390 7.303 1.00 72.12 N ATOM 1156 CA GLU A 76 -6.583 -7.010 7.400 1.00 64.22 C ATOM 1157 C GLU A 76 -6.911 -5.902 6.399 1.00 32.30 C ATOM 1158 O GLU A 76 -8.041 -5.421 6.341 1.00 20.14 O ATOM 1159 CB GLU A 76 -6.908 -6.536 8.818 1.00 31.12 C ATOM 1160 CG GLU A 76 -6.287 -7.396 9.906 1.00 43.20 C ATOM 1161 CD GLU A 76 -7.280 -7.781 10.985 1.00 72.03 C ATOM 1162 OE1 GLU A 76 -8.101 -8.689 10.740 1.00 31.42 O ATOM 1163 OE2 GLU A 76 -7.236 -7.174 12.076 1.00 3.11 O ATOM 0 H GLU A 76 -4.532 -6.681 7.646 1.00 72.12 H new ATOM 0 HA GLU A 76 -7.190 -7.885 7.168 1.00 64.22 H new ATOM 0 HB2 GLU A 76 -6.562 -5.509 8.937 1.00 31.12 H new ATOM 0 HB3 GLU A 76 -7.990 -6.525 8.949 1.00 31.12 H new ATOM 0 HG2 GLU A 76 -5.875 -8.300 9.458 1.00 43.20 H new ATOM 0 HG3 GLU A 76 -5.455 -6.857 10.359 1.00 43.20 H new ATOM 1170 N GLY A 77 -5.911 -5.501 5.615 1.00 45.51 N ATOM 1171 CA GLY A 77 -6.104 -4.455 4.630 1.00 5.32 C ATOM 1172 C GLY A 77 -4.894 -4.293 3.731 1.00 1.41 C ATOM 1173 O GLY A 77 -3.757 -4.391 4.192 1.00 21.11 O ATOM 0 H GLY A 77 -4.967 -5.886 5.647 1.00 45.51 H new ATOM 0 HA2 GLY A 77 -6.979 -4.686 4.022 1.00 5.32 H new ATOM 0 HA3 GLY A 77 -6.308 -3.512 5.137 1.00 5.32 H new ATOM 1177 N PHE A 78 -5.132 -4.057 2.445 1.00 20.24 N ATOM 1178 CA PHE A 78 -4.044 -3.897 1.487 1.00 22.45 C ATOM 1179 C PHE A 78 -3.980 -2.472 0.950 1.00 11.13 C ATOM 1180 O PHE A 78 -4.984 -1.761 0.919 1.00 50.34 O ATOM 1181 CB PHE A 78 -4.210 -4.888 0.335 1.00 54.54 C ATOM 1182 CG PHE A 78 -4.490 -6.288 0.798 1.00 73.33 C ATOM 1183 CD1 PHE A 78 -5.744 -6.635 1.274 1.00 34.11 C ATOM 1184 CD2 PHE A 78 -3.498 -7.254 0.764 1.00 51.54 C ATOM 1185 CE1 PHE A 78 -6.004 -7.922 1.706 1.00 64.02 C ATOM 1186 CE2 PHE A 78 -3.752 -8.542 1.194 1.00 33.02 C ATOM 1187 CZ PHE A 78 -5.006 -8.877 1.666 1.00 14.24 C ATOM 0 H PHE A 78 -6.066 -3.972 2.043 1.00 20.24 H new ATOM 0 HA PHE A 78 -3.107 -4.101 2.005 1.00 22.45 H new ATOM 0 HB2 PHE A 78 -5.024 -4.555 -0.308 1.00 54.54 H new ATOM 0 HB3 PHE A 78 -3.304 -4.887 -0.271 1.00 54.54 H new ATOM 0 HD1 PHE A 78 -6.527 -5.892 1.308 1.00 34.11 H new ATOM 0 HD2 PHE A 78 -2.515 -6.997 0.397 1.00 51.54 H new ATOM 0 HE1 PHE A 78 -6.986 -8.181 2.074 1.00 64.02 H new ATOM 0 HE2 PHE A 78 -2.970 -9.287 1.161 1.00 33.02 H new ATOM 0 HZ PHE A 78 -5.206 -9.883 2.003 1.00 14.24 H new ATOM 1197 N LEU A 79 -2.787 -2.065 0.530 1.00 24.35 N ATOM 1198 CA LEU A 79 -2.575 -0.727 -0.008 1.00 74.53 C ATOM 1199 C LEU A 79 -2.028 -0.795 -1.430 1.00 23.24 C ATOM 1200 O LEU A 79 -0.902 -1.238 -1.653 1.00 10.42 O ATOM 1201 CB LEU A 79 -1.611 0.052 0.888 1.00 1.33 C ATOM 1202 CG LEU A 79 -1.902 1.551 0.997 1.00 12.32 C ATOM 1203 CD1 LEU A 79 -1.941 1.984 2.454 1.00 1.53 C ATOM 1204 CD2 LEU A 79 -0.863 2.353 0.229 1.00 1.42 C ATOM 0 H LEU A 79 -1.949 -2.646 0.552 1.00 24.35 H new ATOM 0 HA LEU A 79 -3.535 -0.211 -0.034 1.00 74.53 H new ATOM 0 HB2 LEU A 79 -1.636 -0.382 1.888 1.00 1.33 H new ATOM 0 HB3 LEU A 79 -0.598 -0.080 0.508 1.00 1.33 H new ATOM 0 HG LEU A 79 -2.880 1.744 0.556 1.00 12.32 H new ATOM 0 HD11 LEU A 79 -2.149 3.052 2.511 1.00 1.53 H new ATOM 0 HD12 LEU A 79 -2.724 1.434 2.976 1.00 1.53 H new ATOM 0 HD13 LEU A 79 -0.978 1.777 2.921 1.00 1.53 H new ATOM 0 HD21 LEU A 79 -1.086 3.416 0.318 1.00 1.42 H new ATOM 0 HD22 LEU A 79 0.127 2.154 0.640 1.00 1.42 H new ATOM 0 HD23 LEU A 79 -0.884 2.064 -0.822 1.00 1.42 H new ATOM 1216 N CYS A 80 -2.835 -0.352 -2.389 1.00 31.24 N ATOM 1217 CA CYS A 80 -2.432 -0.363 -3.790 1.00 0.21 C ATOM 1218 C CYS A 80 -1.768 0.955 -4.173 1.00 52.10 C ATOM 1219 O CYS A 80 -2.440 1.966 -4.373 1.00 42.24 O ATOM 1220 CB CYS A 80 -3.644 -0.618 -4.689 1.00 30.15 C ATOM 1221 SG CYS A 80 -4.624 -2.061 -4.212 1.00 30.14 S ATOM 0 H CYS A 80 -3.770 0.018 -2.221 1.00 31.24 H new ATOM 0 HA CYS A 80 -1.710 -1.168 -3.930 1.00 0.21 H new ATOM 0 HB2 CYS A 80 -4.285 0.264 -4.676 1.00 30.15 H new ATOM 0 HB3 CYS A 80 -3.301 -0.748 -5.715 1.00 30.15 H new ATOM 0 HG CYS A 80 -5.627 -2.194 -5.028 1.00 30.14 H new ATOM 1227 N VAL A 81 -0.443 0.936 -4.271 1.00 60.25 N ATOM 1228 CA VAL A 81 0.313 2.130 -4.628 1.00 54.34 C ATOM 1229 C VAL A 81 0.957 1.983 -6.004 1.00 51.24 C ATOM 1230 O VAL A 81 1.601 0.975 -6.298 1.00 71.12 O ATOM 1231 CB VAL A 81 1.403 2.436 -3.579 1.00 24.21 C ATOM 1232 CG1 VAL A 81 2.316 1.235 -3.379 1.00 64.41 C ATOM 1233 CG2 VAL A 81 2.207 3.667 -3.977 1.00 20.30 C ATOM 0 H VAL A 81 0.129 0.107 -4.108 1.00 60.25 H new ATOM 0 HA VAL A 81 -0.393 2.960 -4.655 1.00 54.34 H new ATOM 0 HB VAL A 81 0.909 2.646 -2.630 1.00 24.21 H new ATOM 0 HG11 VAL A 81 3.076 1.475 -2.635 1.00 64.41 H new ATOM 0 HG12 VAL A 81 1.728 0.384 -3.035 1.00 64.41 H new ATOM 0 HG13 VAL A 81 2.799 0.984 -4.323 1.00 64.41 H new ATOM 0 HG21 VAL A 81 2.969 3.863 -3.223 1.00 20.30 H new ATOM 0 HG22 VAL A 81 2.686 3.493 -4.940 1.00 20.30 H new ATOM 0 HG23 VAL A 81 1.542 4.527 -4.053 1.00 20.30 H new ATOM 1243 N PHE A 82 0.775 2.995 -6.845 1.00 23.15 N ATOM 1244 CA PHE A 82 1.336 2.982 -8.191 1.00 24.52 C ATOM 1245 C PHE A 82 1.822 4.372 -8.589 1.00 53.12 C ATOM 1246 O PHE A 82 1.441 5.371 -7.978 1.00 62.54 O ATOM 1247 CB PHE A 82 0.296 2.479 -9.196 1.00 20.50 C ATOM 1248 CG PHE A 82 -0.825 3.449 -9.443 1.00 54.33 C ATOM 1249 CD1 PHE A 82 -1.687 3.808 -8.419 1.00 62.24 C ATOM 1250 CD2 PHE A 82 -1.015 4.002 -10.699 1.00 63.42 C ATOM 1251 CE1 PHE A 82 -2.718 4.701 -8.644 1.00 44.20 C ATOM 1252 CE2 PHE A 82 -2.043 4.896 -10.929 1.00 24.13 C ATOM 1253 CZ PHE A 82 -2.896 5.246 -9.901 1.00 50.43 C ATOM 0 H PHE A 82 0.243 3.835 -6.618 1.00 23.15 H new ATOM 0 HA PHE A 82 2.190 2.304 -8.198 1.00 24.52 H new ATOM 0 HB2 PHE A 82 0.793 2.263 -10.142 1.00 20.50 H new ATOM 0 HB3 PHE A 82 -0.122 1.540 -8.834 1.00 20.50 H new ATOM 0 HD1 PHE A 82 -1.552 3.385 -7.434 1.00 62.24 H new ATOM 0 HD2 PHE A 82 -0.352 3.731 -11.507 1.00 63.42 H new ATOM 0 HE1 PHE A 82 -3.384 4.972 -7.838 1.00 44.20 H new ATOM 0 HE2 PHE A 82 -2.179 5.321 -11.912 1.00 24.13 H new ATOM 0 HZ PHE A 82 -3.700 5.944 -10.079 1.00 50.43 H new ATOM 1263 N ALA A 83 2.664 4.430 -9.615 1.00 53.53 N ATOM 1264 CA ALA A 83 3.199 5.700 -10.091 1.00 44.33 C ATOM 1265 C ALA A 83 2.436 6.194 -11.314 1.00 53.11 C ATOM 1266 O ALA A 83 2.337 5.494 -12.322 1.00 41.41 O ATOM 1267 CB ALA A 83 4.680 5.561 -10.413 1.00 23.13 C ATOM 0 H ALA A 83 2.990 3.614 -10.132 1.00 53.53 H new ATOM 0 HA ALA A 83 3.077 6.437 -9.297 1.00 44.33 H new ATOM 0 HB1 ALA A 83 5.067 6.517 -10.767 1.00 23.13 H new ATOM 0 HB2 ALA A 83 5.221 5.261 -9.515 1.00 23.13 H new ATOM 0 HB3 ALA A 83 4.815 4.806 -11.187 1.00 23.13 H new ATOM 1273 N ILE A 84 1.900 7.406 -11.220 1.00 42.31 N ATOM 1274 CA ILE A 84 1.149 7.998 -12.319 1.00 13.34 C ATOM 1275 C ILE A 84 2.020 8.143 -13.564 1.00 20.21 C ATOM 1276 O ILE A 84 1.514 8.191 -14.685 1.00 14.13 O ATOM 1277 CB ILE A 84 0.587 9.380 -11.936 1.00 51.43 C ATOM 1278 CG1 ILE A 84 1.675 10.236 -11.285 1.00 72.22 C ATOM 1279 CG2 ILE A 84 -0.603 9.226 -11.001 1.00 35.23 C ATOM 1280 CD1 ILE A 84 1.512 11.719 -11.540 1.00 13.44 C ATOM 0 H ILE A 84 1.972 7.998 -10.392 1.00 42.31 H new ATOM 0 HA ILE A 84 0.320 7.324 -12.534 1.00 13.34 H new ATOM 0 HB ILE A 84 0.250 9.883 -12.843 1.00 51.43 H new ATOM 0 HG12 ILE A 84 1.671 10.058 -10.210 1.00 72.22 H new ATOM 0 HG13 ILE A 84 2.648 9.917 -11.657 1.00 72.22 H new ATOM 0 HG21 ILE A 84 -0.990 10.211 -10.739 1.00 35.23 H new ATOM 0 HG22 ILE A 84 -1.384 8.650 -11.498 1.00 35.23 H new ATOM 0 HG23 ILE A 84 -0.289 8.707 -10.095 1.00 35.23 H new ATOM 0 HD11 ILE A 84 2.318 12.263 -11.049 1.00 13.44 H new ATOM 0 HD12 ILE A 84 1.546 11.910 -12.613 1.00 13.44 H new ATOM 0 HD13 ILE A 84 0.554 12.053 -11.143 1.00 13.44 H new ATOM 1292 N ASN A 85 3.332 8.212 -13.358 1.00 43.21 N ATOM 1293 CA ASN A 85 4.274 8.350 -14.463 1.00 2.22 C ATOM 1294 C ASN A 85 4.404 7.039 -15.231 1.00 4.14 C ATOM 1295 O ASN A 85 4.654 7.036 -16.436 1.00 1.33 O ATOM 1296 CB ASN A 85 5.645 8.787 -13.943 1.00 34.14 C ATOM 1297 CG ASN A 85 5.547 9.818 -12.835 1.00 33.13 C ATOM 1298 OD1 ASN A 85 5.316 9.478 -11.675 1.00 33.21 O ATOM 1299 ND2 ASN A 85 5.723 11.085 -13.188 1.00 5.04 N ATOM 0 H ASN A 85 3.767 8.175 -12.436 1.00 43.21 H new ATOM 0 HA ASN A 85 3.891 9.113 -15.141 1.00 2.22 H new ATOM 0 HB2 ASN A 85 6.185 7.914 -13.576 1.00 34.14 H new ATOM 0 HB3 ASN A 85 6.228 9.199 -14.767 1.00 34.14 H new ATOM 0 HD21 ASN A 85 5.669 11.822 -12.485 1.00 5.04 H new ATOM 0 HD22 ASN A 85 5.913 11.321 -14.162 1.00 5.04 H new ATOM 1306 N ASN A 86 4.234 5.926 -14.525 1.00 14.52 N ATOM 1307 CA ASN A 86 4.332 4.608 -15.139 1.00 50.10 C ATOM 1308 C ASN A 86 2.957 3.957 -15.254 1.00 34.10 C ATOM 1309 O ASN A 86 2.335 3.613 -14.249 1.00 43.40 O ATOM 1310 CB ASN A 86 5.268 3.712 -14.326 1.00 44.21 C ATOM 1311 CG ASN A 86 6.156 2.855 -15.206 1.00 62.32 C ATOM 1312 OD1 ASN A 86 6.502 3.242 -16.323 1.00 51.44 O ATOM 1313 ND2 ASN A 86 6.530 1.682 -14.708 1.00 73.11 N ATOM 0 H ASN A 86 4.028 5.911 -13.526 1.00 14.52 H new ATOM 0 HA ASN A 86 4.740 4.732 -16.142 1.00 50.10 H new ATOM 0 HB2 ASN A 86 5.890 4.332 -13.681 1.00 44.21 H new ATOM 0 HB3 ASN A 86 4.676 3.068 -13.675 1.00 44.21 H new ATOM 0 HD21 ASN A 86 7.127 1.062 -15.256 1.00 73.11 H new ATOM 0 HD22 ASN A 86 6.220 1.401 -13.778 1.00 73.11 H new ATOM 1320 N THR A 87 2.488 3.791 -16.487 1.00 41.43 N ATOM 1321 CA THR A 87 1.187 3.181 -16.735 1.00 11.04 C ATOM 1322 C THR A 87 1.211 1.691 -16.407 1.00 55.00 C ATOM 1323 O THR A 87 0.185 1.104 -16.064 1.00 72.03 O ATOM 1324 CB THR A 87 0.772 3.387 -18.192 1.00 55.34 C ATOM 1325 OG1 THR A 87 0.818 4.761 -18.537 1.00 11.12 O ATOM 1326 CG2 THR A 87 -0.624 2.885 -18.493 1.00 21.14 C ATOM 0 H THR A 87 2.990 4.071 -17.330 1.00 41.43 H new ATOM 0 HA THR A 87 0.458 3.666 -16.085 1.00 11.04 H new ATOM 0 HB THR A 87 1.484 2.808 -18.780 1.00 55.34 H new ATOM 0 HG1 THR A 87 0.551 4.872 -19.473 1.00 11.12 H new ATOM 0 HG21 THR A 87 -0.856 3.062 -19.543 1.00 21.14 H new ATOM 0 HG22 THR A 87 -0.679 1.817 -18.284 1.00 21.14 H new ATOM 0 HG23 THR A 87 -1.344 3.415 -17.869 1.00 21.14 H new ATOM 1334 N LYS A 88 2.389 1.085 -16.512 1.00 50.13 N ATOM 1335 CA LYS A 88 2.551 -0.330 -16.226 1.00 64.44 C ATOM 1336 C LYS A 88 2.180 -0.631 -14.776 1.00 0.34 C ATOM 1337 O LYS A 88 1.713 -1.724 -14.458 1.00 50.41 O ATOM 1338 CB LYS A 88 3.994 -0.749 -16.512 1.00 3.23 C ATOM 1339 CG LYS A 88 4.361 -2.112 -15.955 1.00 34.33 C ATOM 1340 CD LYS A 88 5.040 -2.984 -17.000 1.00 11.34 C ATOM 1341 CE LYS A 88 6.279 -2.311 -17.570 1.00 22.34 C ATOM 1342 NZ LYS A 88 7.244 -3.299 -18.126 1.00 34.32 N ATOM 0 H LYS A 88 3.248 1.557 -16.795 1.00 50.13 H new ATOM 0 HA LYS A 88 1.882 -0.902 -16.869 1.00 64.44 H new ATOM 0 HB2 LYS A 88 4.154 -0.753 -17.590 1.00 3.23 H new ATOM 0 HB3 LYS A 88 4.669 -0.002 -16.093 1.00 3.23 H new ATOM 0 HG2 LYS A 88 5.024 -1.988 -15.098 1.00 34.33 H new ATOM 0 HG3 LYS A 88 3.462 -2.611 -15.593 1.00 34.33 H new ATOM 0 HD2 LYS A 88 5.317 -3.939 -16.554 1.00 11.34 H new ATOM 0 HD3 LYS A 88 4.339 -3.200 -17.806 1.00 11.34 H new ATOM 0 HE2 LYS A 88 5.984 -1.612 -18.353 1.00 22.34 H new ATOM 0 HE3 LYS A 88 6.767 -1.728 -16.789 1.00 22.34 H new ATOM 0 HZ1 LYS A 88 8.074 -2.799 -18.504 1.00 34.32 H new ATOM 0 HZ2 LYS A 88 7.546 -3.951 -17.374 1.00 34.32 H new ATOM 0 HZ3 LYS A 88 6.788 -3.838 -18.889 1.00 34.32 H new ATOM 1356 N SER A 89 2.386 0.350 -13.902 1.00 44.34 N ATOM 1357 CA SER A 89 2.067 0.192 -12.488 1.00 2.53 C ATOM 1358 C SER A 89 0.557 0.186 -12.277 1.00 74.44 C ATOM 1359 O SER A 89 0.034 -0.590 -11.476 1.00 64.51 O ATOM 1360 CB SER A 89 2.704 1.317 -11.671 1.00 13.20 C ATOM 1361 OG SER A 89 4.081 1.455 -11.978 1.00 34.23 O ATOM 0 H SER A 89 2.772 1.261 -14.148 1.00 44.34 H new ATOM 0 HA SER A 89 2.471 -0.763 -12.150 1.00 2.53 H new ATOM 0 HB2 SER A 89 2.187 2.255 -11.874 1.00 13.20 H new ATOM 0 HB3 SER A 89 2.584 1.111 -10.607 1.00 13.20 H new ATOM 0 HG SER A 89 4.483 0.568 -12.083 1.00 34.23 H new ATOM 1367 N PHE A 90 -0.137 1.054 -13.005 1.00 25.40 N ATOM 1368 CA PHE A 90 -1.588 1.149 -12.907 1.00 2.24 C ATOM 1369 C PHE A 90 -2.246 -0.149 -13.366 1.00 25.12 C ATOM 1370 O PHE A 90 -3.337 -0.498 -12.916 1.00 31.35 O ATOM 1371 CB PHE A 90 -2.097 2.324 -13.748 1.00 72.53 C ATOM 1372 CG PHE A 90 -3.595 2.426 -13.803 1.00 73.33 C ATOM 1373 CD1 PHE A 90 -4.354 2.309 -12.650 1.00 24.44 C ATOM 1374 CD2 PHE A 90 -4.243 2.640 -15.009 1.00 13.50 C ATOM 1375 CE1 PHE A 90 -5.732 2.403 -12.698 1.00 73.44 C ATOM 1376 CE2 PHE A 90 -5.621 2.735 -15.064 1.00 23.41 C ATOM 1377 CZ PHE A 90 -6.366 2.616 -13.907 1.00 51.04 C ATOM 0 H PHE A 90 0.283 1.703 -13.670 1.00 25.40 H new ATOM 0 HA PHE A 90 -1.852 1.318 -11.863 1.00 2.24 H new ATOM 0 HB2 PHE A 90 -1.694 3.251 -13.341 1.00 72.53 H new ATOM 0 HB3 PHE A 90 -1.711 2.226 -14.763 1.00 72.53 H new ATOM 0 HD1 PHE A 90 -3.863 2.142 -11.703 1.00 24.44 H new ATOM 0 HD2 PHE A 90 -3.665 2.734 -15.916 1.00 13.50 H new ATOM 0 HE1 PHE A 90 -6.312 2.310 -11.792 1.00 73.44 H new ATOM 0 HE2 PHE A 90 -6.114 2.902 -16.010 1.00 23.41 H new ATOM 0 HZ PHE A 90 -7.443 2.689 -13.947 1.00 51.04 H new ATOM 1387 N GLU A 91 -1.572 -0.859 -14.265 1.00 74.34 N ATOM 1388 CA GLU A 91 -2.087 -2.118 -14.789 1.00 12.05 C ATOM 1389 C GLU A 91 -1.941 -3.237 -13.761 1.00 22.33 C ATOM 1390 O GLU A 91 -2.731 -4.180 -13.741 1.00 21.35 O ATOM 1391 CB GLU A 91 -1.352 -2.488 -16.078 1.00 64.22 C ATOM 1392 CG GLU A 91 -1.421 -1.407 -17.146 1.00 13.54 C ATOM 1393 CD GLU A 91 -1.868 -1.943 -18.492 1.00 14.41 C ATOM 1394 OE1 GLU A 91 -1.449 -3.062 -18.854 1.00 65.13 O ATOM 1395 OE2 GLU A 91 -2.639 -1.244 -19.183 1.00 3.14 O ATOM 0 H GLU A 91 -0.667 -0.583 -14.646 1.00 74.34 H new ATOM 0 HA GLU A 91 -3.148 -1.991 -15.006 1.00 12.05 H new ATOM 0 HB2 GLU A 91 -0.307 -2.692 -15.845 1.00 64.22 H new ATOM 0 HB3 GLU A 91 -1.776 -3.410 -16.477 1.00 64.22 H new ATOM 0 HG2 GLU A 91 -2.110 -0.626 -16.823 1.00 13.54 H new ATOM 0 HG3 GLU A 91 -0.440 -0.943 -17.252 1.00 13.54 H new ATOM 1402 N ASP A 92 -0.925 -3.126 -12.910 1.00 40.34 N ATOM 1403 CA ASP A 92 -0.679 -4.131 -11.881 1.00 2.53 C ATOM 1404 C ASP A 92 -1.671 -3.988 -10.730 1.00 32.22 C ATOM 1405 O ASP A 92 -2.044 -4.972 -10.093 1.00 41.45 O ATOM 1406 CB ASP A 92 0.755 -4.014 -11.357 1.00 54.43 C ATOM 1407 CG ASP A 92 1.565 -5.271 -11.607 1.00 21.10 C ATOM 1408 OD1 ASP A 92 1.245 -6.001 -12.569 1.00 44.01 O ATOM 1409 OD2 ASP A 92 2.519 -5.525 -10.842 1.00 31.12 O ATOM 0 H ASP A 92 -0.260 -2.352 -12.913 1.00 40.34 H new ATOM 0 HA ASP A 92 -0.814 -5.115 -12.329 1.00 2.53 H new ATOM 0 HB2 ASP A 92 1.246 -3.167 -11.836 1.00 54.43 H new ATOM 0 HB3 ASP A 92 0.732 -3.806 -10.287 1.00 54.43 H new ATOM 1414 N ILE A 93 -2.098 -2.756 -10.471 1.00 15.35 N ATOM 1415 CA ILE A 93 -3.049 -2.488 -9.400 1.00 23.35 C ATOM 1416 C ILE A 93 -4.362 -3.227 -9.639 1.00 2.32 C ATOM 1417 O ILE A 93 -5.056 -3.603 -8.694 1.00 73.03 O ATOM 1418 CB ILE A 93 -3.331 -0.974 -9.269 1.00 61.42 C ATOM 1419 CG1 ILE A 93 -2.072 -0.227 -8.844 1.00 15.40 C ATOM 1420 CG2 ILE A 93 -4.444 -0.712 -8.271 1.00 40.41 C ATOM 1421 CD1 ILE A 93 -1.407 -0.802 -7.612 1.00 45.40 C ATOM 0 H ILE A 93 -1.800 -1.929 -10.988 1.00 15.35 H new ATOM 0 HA ILE A 93 -2.600 -2.845 -8.473 1.00 23.35 H new ATOM 0 HB ILE A 93 -3.647 -0.610 -10.247 1.00 61.42 H new ATOM 0 HG12 ILE A 93 -1.359 -0.237 -9.668 1.00 15.40 H new ATOM 0 HG13 ILE A 93 -2.326 0.816 -8.655 1.00 15.40 H new ATOM 0 HG21 ILE A 93 -4.622 0.361 -8.198 1.00 40.41 H new ATOM 0 HG22 ILE A 93 -5.355 -1.209 -8.603 1.00 40.41 H new ATOM 0 HG23 ILE A 93 -4.155 -1.099 -7.294 1.00 40.41 H new ATOM 0 HD11 ILE A 93 -0.519 -0.218 -7.372 1.00 45.40 H new ATOM 0 HD12 ILE A 93 -2.102 -0.767 -6.773 1.00 45.40 H new ATOM 0 HD13 ILE A 93 -1.120 -1.836 -7.802 1.00 45.40 H new ATOM 1433 N HIS A 94 -4.699 -3.428 -10.908 1.00 42.32 N ATOM 1434 CA HIS A 94 -5.930 -4.117 -11.271 1.00 23.42 C ATOM 1435 C HIS A 94 -5.831 -5.610 -10.961 1.00 62.31 C ATOM 1436 O HIS A 94 -6.668 -6.161 -10.246 1.00 64.52 O ATOM 1437 CB HIS A 94 -6.234 -3.897 -12.758 1.00 63.24 C ATOM 1438 CG HIS A 94 -7.236 -4.855 -13.326 1.00 22.01 C ATOM 1439 ND1 HIS A 94 -8.570 -4.845 -12.978 1.00 64.12 N ATOM 1440 CD2 HIS A 94 -7.089 -5.858 -14.224 1.00 51.03 C ATOM 1441 CE1 HIS A 94 -9.201 -5.801 -13.637 1.00 64.00 C ATOM 1442 NE2 HIS A 94 -8.326 -6.429 -14.401 1.00 24.44 N ATOM 0 H HIS A 94 -4.136 -3.123 -11.702 1.00 42.32 H new ATOM 0 HA HIS A 94 -6.746 -3.704 -10.678 1.00 23.42 H new ATOM 0 HB2 HIS A 94 -6.601 -2.880 -12.896 1.00 63.24 H new ATOM 0 HB3 HIS A 94 -5.306 -3.981 -13.324 1.00 63.24 H new ATOM 0 HD2 HIS A 94 -6.171 -6.154 -14.710 1.00 51.03 H new ATOM 0 HE1 HIS A 94 -10.254 -6.030 -13.563 1.00 64.00 H new ATOM 0 HE2 HIS A 94 -8.535 -7.211 -15.022 1.00 24.44 H new ATOM 1451 N GLN A 95 -4.808 -6.258 -11.507 1.00 0.44 N ATOM 1452 CA GLN A 95 -4.606 -7.687 -11.290 1.00 31.20 C ATOM 1453 C GLN A 95 -4.290 -7.983 -9.827 1.00 4.12 C ATOM 1454 O GLN A 95 -4.586 -9.069 -9.327 1.00 34.24 O ATOM 1455 CB GLN A 95 -3.477 -8.205 -12.180 1.00 31.14 C ATOM 1456 CG GLN A 95 -2.155 -7.496 -11.953 1.00 53.25 C ATOM 1457 CD GLN A 95 -1.331 -8.139 -10.854 1.00 70.24 C ATOM 1458 OE1 GLN A 95 -1.462 -9.332 -10.581 1.00 3.04 O ATOM 1459 NE2 GLN A 95 -0.477 -7.348 -10.215 1.00 55.31 N ATOM 0 H GLN A 95 -4.106 -5.818 -12.102 1.00 0.44 H new ATOM 0 HA GLN A 95 -5.532 -8.199 -11.551 1.00 31.20 H new ATOM 0 HB2 GLN A 95 -3.344 -9.272 -12.001 1.00 31.14 H new ATOM 0 HB3 GLN A 95 -3.767 -8.091 -13.225 1.00 31.14 H new ATOM 0 HG2 GLN A 95 -1.582 -7.498 -12.880 1.00 53.25 H new ATOM 0 HG3 GLN A 95 -2.345 -6.454 -11.697 1.00 53.25 H new ATOM 0 HE21 GLN A 95 -0.401 -6.364 -10.474 1.00 55.31 H new ATOM 0 HE22 GLN A 95 0.103 -7.724 -9.465 1.00 55.31 H new ATOM 1468 N TYR A 96 -3.685 -7.015 -9.145 1.00 10.51 N ATOM 1469 CA TYR A 96 -3.329 -7.180 -7.740 1.00 70.24 C ATOM 1470 C TYR A 96 -4.564 -7.474 -6.893 1.00 61.34 C ATOM 1471 O TYR A 96 -4.502 -8.248 -5.938 1.00 20.23 O ATOM 1472 CB TYR A 96 -2.622 -5.927 -7.219 1.00 11.40 C ATOM 1473 CG TYR A 96 -1.114 -6.006 -7.300 1.00 73.31 C ATOM 1474 CD1 TYR A 96 -0.426 -7.084 -6.757 1.00 25.01 C ATOM 1475 CD2 TYR A 96 -0.379 -5.004 -7.920 1.00 14.10 C ATOM 1476 CE1 TYR A 96 0.951 -7.161 -6.829 1.00 21.41 C ATOM 1477 CE2 TYR A 96 1.000 -5.075 -7.997 1.00 43.22 C ATOM 1478 CZ TYR A 96 1.659 -6.155 -7.450 1.00 11.30 C ATOM 1479 OH TYR A 96 3.032 -6.229 -7.525 1.00 63.15 O ATOM 0 H TYR A 96 -3.432 -6.110 -9.542 1.00 10.51 H new ATOM 0 HA TYR A 96 -2.650 -8.029 -7.662 1.00 70.24 H new ATOM 0 HB2 TYR A 96 -2.964 -5.063 -7.790 1.00 11.40 H new ATOM 0 HB3 TYR A 96 -2.914 -5.760 -6.182 1.00 11.40 H new ATOM 0 HD1 TYR A 96 -0.977 -7.875 -6.270 1.00 25.01 H new ATOM 0 HD2 TYR A 96 -0.892 -4.156 -8.349 1.00 14.10 H new ATOM 0 HE1 TYR A 96 1.470 -8.006 -6.401 1.00 21.41 H new ATOM 0 HE2 TYR A 96 1.558 -4.288 -8.483 1.00 43.22 H new ATOM 0 HH TYR A 96 3.422 -5.378 -7.233 1.00 63.15 H new ATOM 1489 N ARG A 97 -5.685 -6.855 -7.249 1.00 21.11 N ATOM 1490 CA ARG A 97 -6.932 -7.056 -6.520 1.00 44.13 C ATOM 1491 C ARG A 97 -7.413 -8.498 -6.658 1.00 42.31 C ATOM 1492 O ARG A 97 -7.981 -9.065 -5.725 1.00 53.00 O ATOM 1493 CB ARG A 97 -8.009 -6.092 -7.027 1.00 34.22 C ATOM 1494 CG ARG A 97 -9.381 -6.330 -6.412 1.00 73.40 C ATOM 1495 CD ARG A 97 -9.988 -5.042 -5.876 1.00 55.04 C ATOM 1496 NE ARG A 97 -10.902 -5.291 -4.764 1.00 1.02 N ATOM 1497 CZ ARG A 97 -11.388 -4.336 -3.974 1.00 11.12 C ATOM 1498 NH1 ARG A 97 -11.050 -3.067 -4.170 1.00 11.23 N ATOM 1499 NH2 ARG A 97 -12.213 -4.650 -2.985 1.00 1.34 N ATOM 0 H ARG A 97 -5.755 -6.211 -8.037 1.00 21.11 H new ATOM 0 HA ARG A 97 -6.745 -6.853 -5.466 1.00 44.13 H new ATOM 0 HB2 ARG A 97 -7.698 -5.069 -6.815 1.00 34.22 H new ATOM 0 HB3 ARG A 97 -8.085 -6.184 -8.110 1.00 34.22 H new ATOM 0 HG2 ARG A 97 -10.045 -6.762 -7.161 1.00 73.40 H new ATOM 0 HG3 ARG A 97 -9.297 -7.057 -5.604 1.00 73.40 H new ATOM 0 HD2 ARG A 97 -9.191 -4.374 -5.548 1.00 55.04 H new ATOM 0 HD3 ARG A 97 -10.522 -4.532 -6.677 1.00 55.04 H new ATOM 0 HE ARG A 97 -11.185 -6.254 -4.582 1.00 1.02 H new ATOM 0 HH11 ARG A 97 -10.415 -2.820 -4.929 1.00 11.23 H new ATOM 0 HH12 ARG A 97 -11.425 -2.339 -3.562 1.00 11.23 H new ATOM 0 HH21 ARG A 97 -12.475 -5.623 -2.829 1.00 1.34 H new ATOM 0 HH22 ARG A 97 -12.585 -3.918 -2.380 1.00 1.34 H new ATOM 1513 N GLU A 98 -7.181 -9.084 -7.828 1.00 1.12 N ATOM 1514 CA GLU A 98 -7.591 -10.460 -8.089 1.00 51.14 C ATOM 1515 C GLU A 98 -6.967 -11.417 -7.079 1.00 53.45 C ATOM 1516 O GLU A 98 -7.545 -12.454 -6.751 1.00 63.53 O ATOM 1517 CB GLU A 98 -7.199 -10.871 -9.509 1.00 21.24 C ATOM 1518 CG GLU A 98 -7.903 -10.069 -10.591 1.00 33.43 C ATOM 1519 CD GLU A 98 -8.229 -10.903 -11.815 1.00 53.43 C ATOM 1520 OE1 GLU A 98 -7.447 -11.825 -12.130 1.00 2.23 O ATOM 1521 OE2 GLU A 98 -9.265 -10.633 -12.458 1.00 2.41 O ATOM 0 H GLU A 98 -6.712 -8.628 -8.610 1.00 1.12 H new ATOM 0 HA GLU A 98 -8.675 -10.513 -7.989 1.00 51.14 H new ATOM 0 HB2 GLU A 98 -6.121 -10.757 -9.627 1.00 21.24 H new ATOM 0 HB3 GLU A 98 -7.424 -11.928 -9.647 1.00 21.24 H new ATOM 0 HG2 GLU A 98 -8.824 -9.649 -10.186 1.00 33.43 H new ATOM 0 HG3 GLU A 98 -7.272 -9.230 -10.885 1.00 33.43 H new ATOM 1528 N GLN A 99 -5.783 -11.063 -6.588 1.00 51.01 N ATOM 1529 CA GLN A 99 -5.082 -11.892 -5.614 1.00 44.02 C ATOM 1530 C GLN A 99 -5.765 -11.826 -4.252 1.00 30.41 C ATOM 1531 O GLN A 99 -6.073 -12.855 -3.650 1.00 44.41 O ATOM 1532 CB GLN A 99 -3.621 -11.448 -5.493 1.00 31.31 C ATOM 1533 CG GLN A 99 -2.630 -12.471 -6.023 1.00 24.21 C ATOM 1534 CD GLN A 99 -2.068 -13.358 -4.929 1.00 30.25 C ATOM 1535 OE1 GLN A 99 -0.785 -13.684 -5.032 1.00 33.51 O flip ATOM 1536 NE2 GLN A 99 -2.779 -13.746 -4.001 1.00 13.03 N flip ATOM 0 H GLN A 99 -5.290 -10.209 -6.848 1.00 51.01 H new ATOM 0 HA GLN A 99 -5.111 -12.924 -5.962 1.00 44.02 H new ATOM 0 HB2 GLN A 99 -3.488 -10.511 -6.034 1.00 31.31 H new ATOM 0 HB3 GLN A 99 -3.397 -11.245 -4.446 1.00 31.31 H new ATOM 0 HG2 GLN A 99 -3.120 -13.092 -6.773 1.00 24.21 H new ATOM 0 HG3 GLN A 99 -1.811 -11.953 -6.523 1.00 24.21 H new ATOM 0 HE21 GLN A 99 -3.760 -13.471 -3.961 1.00 13.03 H new ATOM 0 HE22 GLN A 99 -2.386 -14.342 -3.272 1.00 13.03 H new ATOM 1545 N ILE A 100 -6.001 -10.609 -3.770 1.00 12.44 N ATOM 1546 CA ILE A 100 -6.650 -10.413 -2.480 1.00 73.21 C ATOM 1547 C ILE A 100 -8.055 -11.011 -2.480 1.00 72.23 C ATOM 1548 O ILE A 100 -8.473 -11.638 -1.508 1.00 4.22 O ATOM 1549 CB ILE A 100 -6.728 -8.916 -2.110 1.00 25.51 C ATOM 1550 CG1 ILE A 100 -5.321 -8.349 -1.908 1.00 44.24 C ATOM 1551 CG2 ILE A 100 -7.569 -8.711 -0.855 1.00 54.31 C ATOM 1552 CD1 ILE A 100 -4.886 -7.408 -3.007 1.00 2.22 C ATOM 0 H ILE A 100 -5.753 -9.746 -4.253 1.00 12.44 H new ATOM 0 HA ILE A 100 -6.043 -10.926 -1.734 1.00 73.21 H new ATOM 0 HB ILE A 100 -7.208 -8.383 -2.931 1.00 25.51 H new ATOM 0 HG12 ILE A 100 -5.284 -7.823 -0.954 1.00 44.24 H new ATOM 0 HG13 ILE A 100 -4.611 -9.174 -1.845 1.00 44.24 H new ATOM 0 HG21 ILE A 100 -7.610 -7.649 -0.614 1.00 54.31 H new ATOM 0 HG22 ILE A 100 -8.579 -9.082 -1.029 1.00 54.31 H new ATOM 0 HG23 ILE A 100 -7.121 -9.255 -0.024 1.00 54.31 H new ATOM 0 HD11 ILE A 100 -3.880 -7.045 -2.798 1.00 2.22 H new ATOM 0 HD12 ILE A 100 -4.891 -7.936 -3.961 1.00 2.22 H new ATOM 0 HD13 ILE A 100 -5.573 -6.564 -3.056 1.00 2.22 H new ATOM 1564 N LYS A 101 -8.777 -10.812 -3.578 1.00 30.54 N ATOM 1565 CA LYS A 101 -10.135 -11.332 -3.705 1.00 52.44 C ATOM 1566 C LYS A 101 -10.166 -12.839 -3.468 1.00 2.42 C ATOM 1567 O LYS A 101 -11.130 -13.371 -2.918 1.00 74.33 O ATOM 1568 CB LYS A 101 -10.700 -11.006 -5.088 1.00 13.42 C ATOM 1569 CG LYS A 101 -11.053 -9.538 -5.267 1.00 60.01 C ATOM 1570 CD LYS A 101 -11.236 -9.183 -6.734 1.00 2.25 C ATOM 1571 CE LYS A 101 -12.361 -9.988 -7.365 1.00 23.51 C ATOM 1572 NZ LYS A 101 -12.543 -9.653 -8.805 1.00 12.30 N ATOM 0 H LYS A 101 -8.445 -10.295 -4.392 1.00 30.54 H new ATOM 0 HA LYS A 101 -10.754 -10.853 -2.947 1.00 52.44 H new ATOM 0 HB2 LYS A 101 -9.971 -11.292 -5.846 1.00 13.42 H new ATOM 0 HB3 LYS A 101 -11.591 -11.610 -5.259 1.00 13.42 H new ATOM 0 HG2 LYS A 101 -11.969 -9.314 -4.720 1.00 60.01 H new ATOM 0 HG3 LYS A 101 -10.266 -8.919 -4.837 1.00 60.01 H new ATOM 0 HD2 LYS A 101 -11.452 -8.119 -6.828 1.00 2.25 H new ATOM 0 HD3 LYS A 101 -10.307 -9.369 -7.273 1.00 2.25 H new ATOM 0 HE2 LYS A 101 -12.147 -11.052 -7.264 1.00 23.51 H new ATOM 0 HE3 LYS A 101 -13.290 -9.797 -6.828 1.00 23.51 H new ATOM 0 HZ1 LYS A 101 -13.319 -10.223 -9.199 1.00 12.30 H new ATOM 0 HZ2 LYS A 101 -12.772 -8.643 -8.900 1.00 12.30 H new ATOM 0 HZ3 LYS A 101 -11.665 -9.859 -9.323 1.00 12.30 H new ATOM 1586 N ARG A 102 -9.102 -13.521 -3.883 1.00 40.53 N ATOM 1587 CA ARG A 102 -9.006 -14.965 -3.710 1.00 74.42 C ATOM 1588 C ARG A 102 -8.782 -15.316 -2.243 1.00 62.12 C ATOM 1589 O ARG A 102 -9.567 -16.049 -1.642 1.00 71.22 O ATOM 1590 CB ARG A 102 -7.868 -15.529 -4.563 1.00 15.44 C ATOM 1591 CG ARG A 102 -7.733 -17.041 -4.476 1.00 63.14 C ATOM 1592 CD ARG A 102 -6.872 -17.588 -5.602 1.00 4.14 C ATOM 1593 NE ARG A 102 -6.599 -19.014 -5.439 1.00 33.51 N ATOM 1594 CZ ARG A 102 -5.636 -19.664 -6.089 1.00 23.52 C ATOM 1595 NH1 ARG A 102 -4.853 -19.021 -6.946 1.00 40.21 N ATOM 1596 NH2 ARG A 102 -5.455 -20.962 -5.881 1.00 70.12 N ATOM 0 H ARG A 102 -8.296 -13.096 -4.341 1.00 40.53 H new ATOM 0 HA ARG A 102 -9.946 -15.411 -4.036 1.00 74.42 H new ATOM 0 HB2 ARG A 102 -8.031 -15.246 -5.603 1.00 15.44 H new ATOM 0 HB3 ARG A 102 -6.930 -15.070 -4.251 1.00 15.44 H new ATOM 0 HG2 ARG A 102 -7.295 -17.314 -3.516 1.00 63.14 H new ATOM 0 HG3 ARG A 102 -8.721 -17.499 -4.517 1.00 63.14 H new ATOM 0 HD2 ARG A 102 -7.373 -17.422 -6.555 1.00 4.14 H new ATOM 0 HD3 ARG A 102 -5.930 -17.040 -5.637 1.00 4.14 H new ATOM 0 HE ARG A 102 -7.181 -19.543 -4.789 1.00 33.51 H new ATOM 0 HH11 ARG A 102 -4.987 -18.023 -7.110 1.00 40.21 H new ATOM 0 HH12 ARG A 102 -4.117 -19.525 -7.441 1.00 40.21 H new ATOM 0 HH21 ARG A 102 -6.054 -21.461 -5.223 1.00 70.12 H new ATOM 0 HH22 ARG A 102 -4.717 -21.460 -6.379 1.00 70.12 H new ATOM 1610 N VAL A 103 -7.706 -14.782 -1.672 1.00 42.52 N ATOM 1611 CA VAL A 103 -7.376 -15.029 -0.275 1.00 42.34 C ATOM 1612 C VAL A 103 -8.530 -14.626 0.639 1.00 72.12 C ATOM 1613 O VAL A 103 -9.002 -15.424 1.449 1.00 12.45 O ATOM 1614 CB VAL A 103 -6.111 -14.253 0.137 1.00 15.22 C ATOM 1615 CG1 VAL A 103 -5.762 -14.522 1.593 1.00 71.23 C ATOM 1616 CG2 VAL A 103 -4.949 -14.613 -0.777 1.00 4.43 C ATOM 0 H VAL A 103 -7.047 -14.174 -2.158 1.00 42.52 H new ATOM 0 HA VAL A 103 -7.192 -16.098 -0.169 1.00 42.34 H new ATOM 0 HB VAL A 103 -6.311 -13.186 0.034 1.00 15.22 H new ATOM 0 HG11 VAL A 103 -4.865 -13.963 1.861 1.00 71.23 H new ATOM 0 HG12 VAL A 103 -6.589 -14.208 2.229 1.00 71.23 H new ATOM 0 HG13 VAL A 103 -5.581 -15.588 1.733 1.00 71.23 H new ATOM 0 HG21 VAL A 103 -4.062 -14.057 -0.474 1.00 4.43 H new ATOM 0 HG22 VAL A 103 -4.749 -15.682 -0.707 1.00 4.43 H new ATOM 0 HG23 VAL A 103 -5.203 -14.358 -1.806 1.00 4.43 H new ATOM 1626 N LYS A 104 -8.980 -13.384 0.499 1.00 50.22 N ATOM 1627 CA LYS A 104 -10.080 -12.874 1.307 1.00 1.24 C ATOM 1628 C LYS A 104 -11.367 -13.641 1.021 1.00 54.05 C ATOM 1629 O LYS A 104 -12.269 -13.693 1.857 1.00 70.24 O ATOM 1630 CB LYS A 104 -10.290 -11.383 1.035 1.00 11.24 C ATOM 1631 CG LYS A 104 -9.033 -10.550 1.222 1.00 53.24 C ATOM 1632 CD LYS A 104 -8.563 -10.565 2.668 1.00 71.21 C ATOM 1633 CE LYS A 104 -8.972 -9.298 3.401 1.00 51.05 C ATOM 1634 NZ LYS A 104 -10.099 -9.540 4.344 1.00 22.51 N ATOM 0 H LYS A 104 -8.599 -12.712 -0.167 1.00 50.22 H new ATOM 0 HA LYS A 104 -9.822 -13.013 2.357 1.00 1.24 H new ATOM 0 HB2 LYS A 104 -10.653 -11.255 0.015 1.00 11.24 H new ATOM 0 HB3 LYS A 104 -11.068 -11.007 1.699 1.00 11.24 H new ATOM 0 HG2 LYS A 104 -8.242 -10.934 0.578 1.00 53.24 H new ATOM 0 HG3 LYS A 104 -9.227 -9.523 0.912 1.00 53.24 H new ATOM 0 HD2 LYS A 104 -8.981 -11.433 3.178 1.00 71.21 H new ATOM 0 HD3 LYS A 104 -7.478 -10.670 2.698 1.00 71.21 H new ATOM 0 HE2 LYS A 104 -8.117 -8.905 3.951 1.00 51.05 H new ATOM 0 HE3 LYS A 104 -9.262 -8.537 2.676 1.00 51.05 H new ATOM 0 HZ1 LYS A 104 -10.347 -8.651 4.824 1.00 22.51 H new ATOM 0 HZ2 LYS A 104 -10.924 -9.891 3.817 1.00 22.51 H new ATOM 0 HZ3 LYS A 104 -9.814 -10.247 5.051 1.00 22.51 H new ATOM 1648 N ASP A 105 -11.447 -14.236 -0.167 1.00 4.31 N ATOM 1649 CA ASP A 105 -12.624 -15.000 -0.561 1.00 12.32 C ATOM 1650 C ASP A 105 -13.849 -14.097 -0.651 1.00 23.14 C ATOM 1651 O ASP A 105 -14.945 -14.474 -0.234 1.00 41.40 O ATOM 1652 CB ASP A 105 -12.878 -16.135 0.433 1.00 53.43 C ATOM 1653 CG ASP A 105 -13.781 -17.212 -0.136 1.00 63.31 C ATOM 1654 OD1 ASP A 105 -14.727 -16.865 -0.874 1.00 3.14 O ATOM 1655 OD2 ASP A 105 -13.543 -18.402 0.158 1.00 51.52 O ATOM 0 H ASP A 105 -10.710 -14.203 -0.872 1.00 4.31 H new ATOM 0 HA ASP A 105 -12.439 -15.429 -1.546 1.00 12.32 H new ATOM 0 HB2 ASP A 105 -11.926 -16.579 0.724 1.00 53.43 H new ATOM 0 HB3 ASP A 105 -13.329 -15.727 1.338 1.00 53.43 H new ATOM 1660 N SER A 106 -13.655 -12.901 -1.197 1.00 10.34 N ATOM 1661 CA SER A 106 -14.741 -11.940 -1.342 1.00 41.42 C ATOM 1662 C SER A 106 -14.253 -10.668 -2.024 1.00 44.45 C ATOM 1663 O SER A 106 -13.123 -10.229 -1.810 1.00 32.32 O ATOM 1664 CB SER A 106 -15.338 -11.604 0.026 1.00 24.41 C ATOM 1665 OG SER A 106 -16.745 -11.458 -0.052 1.00 41.44 O ATOM 0 H SER A 106 -12.754 -12.574 -1.547 1.00 10.34 H new ATOM 0 HA SER A 106 -15.512 -12.391 -1.966 1.00 41.42 H new ATOM 0 HB2 SER A 106 -15.090 -12.392 0.737 1.00 24.41 H new ATOM 0 HB3 SER A 106 -14.894 -10.683 0.403 1.00 24.41 H new ATOM 0 HG SER A 106 -16.970 -10.509 -0.151 1.00 41.44 H new ATOM 1671 N ASP A 107 -15.114 -10.082 -2.848 1.00 22.02 N ATOM 1672 CA ASP A 107 -14.775 -8.860 -3.567 1.00 71.13 C ATOM 1673 C ASP A 107 -14.730 -7.666 -2.619 1.00 42.32 C ATOM 1674 O ASP A 107 -13.861 -6.801 -2.735 1.00 21.24 O ATOM 1675 CB ASP A 107 -15.792 -8.607 -4.680 1.00 70.33 C ATOM 1676 CG ASP A 107 -15.416 -7.424 -5.550 1.00 62.31 C ATOM 1677 OD1 ASP A 107 -14.205 -7.200 -5.757 1.00 15.15 O ATOM 1678 OD2 ASP A 107 -16.333 -6.720 -6.023 1.00 10.32 O ATOM 0 H ASP A 107 -16.053 -10.434 -3.035 1.00 22.02 H new ATOM 0 HA ASP A 107 -13.786 -8.985 -4.008 1.00 71.13 H new ATOM 0 HB2 ASP A 107 -15.876 -9.499 -5.301 1.00 70.33 H new ATOM 0 HB3 ASP A 107 -16.773 -8.432 -4.239 1.00 70.33 H new ATOM 1683 N ASP A 108 -15.672 -7.624 -1.682 1.00 20.15 N ATOM 1684 CA ASP A 108 -15.740 -6.536 -0.714 1.00 14.04 C ATOM 1685 C ASP A 108 -14.697 -6.718 0.384 1.00 1.22 C ATOM 1686 O ASP A 108 -14.935 -7.413 1.371 1.00 62.34 O ATOM 1687 CB ASP A 108 -17.138 -6.460 -0.098 1.00 15.20 C ATOM 1688 CG ASP A 108 -17.603 -7.797 0.444 1.00 41.10 C ATOM 1689 OD1 ASP A 108 -17.726 -8.751 -0.353 1.00 32.32 O ATOM 1690 OD2 ASP A 108 -17.845 -7.891 1.666 1.00 21.15 O ATOM 0 H ASP A 108 -16.399 -8.331 -1.573 1.00 20.15 H new ATOM 0 HA ASP A 108 -15.530 -5.604 -1.238 1.00 14.04 H new ATOM 0 HB2 ASP A 108 -17.138 -5.725 0.707 1.00 15.20 H new ATOM 0 HB3 ASP A 108 -17.845 -6.110 -0.850 1.00 15.20 H new ATOM 1695 N VAL A 109 -13.540 -6.088 0.205 1.00 62.32 N ATOM 1696 CA VAL A 109 -12.462 -6.180 1.181 1.00 14.04 C ATOM 1697 C VAL A 109 -11.825 -4.814 1.430 1.00 54.15 C ATOM 1698 O VAL A 109 -11.872 -3.933 0.572 1.00 21.23 O ATOM 1699 CB VAL A 109 -11.372 -7.170 0.725 1.00 34.45 C ATOM 1700 CG1 VAL A 109 -11.951 -8.567 0.562 1.00 32.12 C ATOM 1701 CG2 VAL A 109 -10.727 -6.700 -0.571 1.00 14.15 C ATOM 0 H VAL A 109 -13.326 -5.509 -0.607 1.00 62.32 H new ATOM 0 HA VAL A 109 -12.906 -6.544 2.108 1.00 14.04 H new ATOM 0 HB VAL A 109 -10.601 -7.208 1.495 1.00 34.45 H new ATOM 0 HG11 VAL A 109 -11.166 -9.251 0.240 1.00 32.12 H new ATOM 0 HG12 VAL A 109 -12.358 -8.905 1.515 1.00 32.12 H new ATOM 0 HG13 VAL A 109 -12.744 -8.547 -0.185 1.00 32.12 H new ATOM 0 HG21 VAL A 109 -9.961 -7.413 -0.875 1.00 14.15 H new ATOM 0 HG22 VAL A 109 -11.486 -6.628 -1.350 1.00 14.15 H new ATOM 0 HG23 VAL A 109 -10.272 -5.722 -0.417 1.00 14.15 H new ATOM 1711 N PRO A 110 -11.218 -4.622 2.614 1.00 31.12 N ATOM 1712 CA PRO A 110 -10.569 -3.357 2.974 1.00 73.34 C ATOM 1713 C PRO A 110 -9.285 -3.120 2.187 1.00 1.42 C ATOM 1714 O PRO A 110 -8.238 -3.686 2.503 1.00 63.44 O ATOM 1715 CB PRO A 110 -10.260 -3.528 4.463 1.00 13.41 C ATOM 1716 CG PRO A 110 -10.147 -5.000 4.657 1.00 61.12 C ATOM 1717 CD PRO A 110 -11.118 -5.623 3.693 1.00 22.42 C ATOM 0 HA PRO A 110 -11.201 -2.497 2.752 1.00 73.34 H new ATOM 0 HB2 PRO A 110 -9.335 -3.020 4.737 1.00 13.41 H new ATOM 0 HB3 PRO A 110 -11.051 -3.106 5.083 1.00 13.41 H new ATOM 0 HG2 PRO A 110 -9.131 -5.342 4.462 1.00 61.12 H new ATOM 0 HG3 PRO A 110 -10.385 -5.277 5.684 1.00 61.12 H new ATOM 0 HD2 PRO A 110 -10.755 -6.581 3.320 1.00 22.42 H new ATOM 0 HD3 PRO A 110 -12.085 -5.808 4.160 1.00 22.42 H new ATOM 1725 N MET A 111 -9.371 -2.280 1.161 1.00 60.34 N ATOM 1726 CA MET A 111 -8.215 -1.967 0.328 1.00 3.12 C ATOM 1727 C MET A 111 -8.116 -0.463 0.084 1.00 72.04 C ATOM 1728 O MET A 111 -9.040 0.287 0.395 1.00 11.24 O ATOM 1729 CB MET A 111 -8.307 -2.713 -1.006 1.00 72.33 C ATOM 1730 CG MET A 111 -7.168 -3.693 -1.234 1.00 24.41 C ATOM 1731 SD MET A 111 -7.169 -4.383 -2.900 1.00 1.23 S ATOM 1732 CE MET A 111 -8.421 -5.653 -2.735 1.00 35.44 C ATOM 0 H MET A 111 -10.230 -1.803 0.886 1.00 60.34 H new ATOM 0 HA MET A 111 -7.316 -2.290 0.853 1.00 3.12 H new ATOM 0 HB2 MET A 111 -9.253 -3.253 -1.047 1.00 72.33 H new ATOM 0 HB3 MET A 111 -8.319 -1.987 -1.819 1.00 72.33 H new ATOM 0 HG2 MET A 111 -6.218 -3.189 -1.054 1.00 24.41 H new ATOM 0 HG3 MET A 111 -7.241 -4.504 -0.509 1.00 24.41 H new ATOM 0 HE1 MET A 111 -8.552 -6.161 -3.690 1.00 35.44 H new ATOM 0 HE2 MET A 111 -8.110 -6.375 -1.980 1.00 35.44 H new ATOM 0 HE3 MET A 111 -9.364 -5.197 -2.434 1.00 35.44 H new ATOM 1742 N VAL A 112 -6.990 -0.030 -0.474 1.00 4.12 N ATOM 1743 CA VAL A 112 -6.774 1.385 -0.757 1.00 54.33 C ATOM 1744 C VAL A 112 -5.970 1.574 -2.039 1.00 73.22 C ATOM 1745 O VAL A 112 -5.226 0.686 -2.455 1.00 71.54 O ATOM 1746 CB VAL A 112 -6.041 2.085 0.403 1.00 5.20 C ATOM 1747 CG1 VAL A 112 -6.073 3.595 0.220 1.00 33.01 C ATOM 1748 CG2 VAL A 112 -6.653 1.690 1.739 1.00 42.21 C ATOM 0 H VAL A 112 -6.214 -0.637 -0.739 1.00 4.12 H new ATOM 0 HA VAL A 112 -7.759 1.836 -0.879 1.00 54.33 H new ATOM 0 HB VAL A 112 -5.000 1.762 0.398 1.00 5.20 H new ATOM 0 HG11 VAL A 112 -5.551 4.073 1.049 1.00 33.01 H new ATOM 0 HG12 VAL A 112 -5.584 3.858 -0.718 1.00 33.01 H new ATOM 0 HG13 VAL A 112 -7.108 3.937 0.198 1.00 33.01 H new ATOM 0 HG21 VAL A 112 -6.122 2.195 2.546 1.00 42.21 H new ATOM 0 HG22 VAL A 112 -7.703 1.981 1.758 1.00 42.21 H new ATOM 0 HG23 VAL A 112 -6.573 0.611 1.871 1.00 42.21 H new ATOM 1758 N LEU A 113 -6.126 2.738 -2.662 1.00 43.04 N ATOM 1759 CA LEU A 113 -5.416 3.045 -3.897 1.00 53.44 C ATOM 1760 C LEU A 113 -4.742 4.411 -3.815 1.00 53.45 C ATOM 1761 O LEU A 113 -5.409 5.446 -3.834 1.00 10.15 O ATOM 1762 CB LEU A 113 -6.381 3.011 -5.086 1.00 64.25 C ATOM 1763 CG LEU A 113 -5.734 3.179 -6.465 1.00 12.55 C ATOM 1764 CD1 LEU A 113 -4.357 2.532 -6.503 1.00 55.34 C ATOM 1765 CD2 LEU A 113 -6.628 2.588 -7.544 1.00 12.52 C ATOM 0 H LEU A 113 -6.738 3.484 -2.331 1.00 43.04 H new ATOM 0 HA LEU A 113 -4.645 2.288 -4.040 1.00 53.44 H new ATOM 0 HB2 LEU A 113 -6.918 2.063 -5.069 1.00 64.25 H new ATOM 0 HB3 LEU A 113 -7.122 3.799 -4.953 1.00 64.25 H new ATOM 0 HG LEU A 113 -5.612 4.245 -6.656 1.00 12.55 H new ATOM 0 HD11 LEU A 113 -3.920 2.665 -7.492 1.00 55.34 H new ATOM 0 HD12 LEU A 113 -3.715 2.999 -5.756 1.00 55.34 H new ATOM 0 HD13 LEU A 113 -4.449 1.467 -6.287 1.00 55.34 H new ATOM 0 HD21 LEU A 113 -6.155 2.715 -8.518 1.00 12.52 H new ATOM 0 HD22 LEU A 113 -6.780 1.526 -7.350 1.00 12.52 H new ATOM 0 HD23 LEU A 113 -7.591 3.099 -7.539 1.00 12.52 H new ATOM 1777 N VAL A 114 -3.416 4.407 -3.721 1.00 72.11 N ATOM 1778 CA VAL A 114 -2.652 5.642 -3.635 1.00 24.00 C ATOM 1779 C VAL A 114 -1.830 5.870 -4.900 1.00 1.45 C ATOM 1780 O VAL A 114 -1.287 4.928 -5.477 1.00 51.44 O ATOM 1781 CB VAL A 114 -1.711 5.629 -2.418 1.00 42.14 C ATOM 1782 CG1 VAL A 114 -1.022 6.974 -2.261 1.00 31.30 C ATOM 1783 CG2 VAL A 114 -2.476 5.264 -1.155 1.00 23.03 C ATOM 0 H VAL A 114 -2.849 3.559 -3.703 1.00 72.11 H new ATOM 0 HA VAL A 114 -3.370 6.455 -3.523 1.00 24.00 H new ATOM 0 HB VAL A 114 -0.945 4.871 -2.583 1.00 42.14 H new ATOM 0 HG11 VAL A 114 -0.361 6.945 -1.395 1.00 31.30 H new ATOM 0 HG12 VAL A 114 -0.439 7.191 -3.156 1.00 31.30 H new ATOM 0 HG13 VAL A 114 -1.772 7.752 -2.119 1.00 31.30 H new ATOM 0 HG21 VAL A 114 -1.794 5.260 -0.305 1.00 23.03 H new ATOM 0 HG22 VAL A 114 -3.265 5.996 -0.983 1.00 23.03 H new ATOM 0 HG23 VAL A 114 -2.918 4.274 -1.270 1.00 23.03 H new ATOM 1793 N GLY A 115 -1.743 7.126 -5.324 1.00 62.43 N ATOM 1794 CA GLY A 115 -0.985 7.457 -6.517 1.00 41.31 C ATOM 1795 C GLY A 115 0.330 8.141 -6.196 1.00 54.31 C ATOM 1796 O GLY A 115 0.416 9.369 -6.204 1.00 64.54 O ATOM 0 H GLY A 115 -2.184 7.922 -4.863 1.00 62.43 H new ATOM 0 HA2 GLY A 115 -0.789 6.547 -7.084 1.00 41.31 H new ATOM 0 HA3 GLY A 115 -1.583 8.107 -7.155 1.00 41.31 H new ATOM 1800 N ASN A 116 1.356 7.345 -5.913 1.00 30.12 N ATOM 1801 CA ASN A 116 2.673 7.882 -5.587 1.00 60.23 C ATOM 1802 C ASN A 116 3.221 8.720 -6.737 1.00 42.31 C ATOM 1803 O ASN A 116 2.717 8.659 -7.858 1.00 53.44 O ATOM 1804 CB ASN A 116 3.644 6.745 -5.261 1.00 14.21 C ATOM 1805 CG ASN A 116 4.829 7.214 -4.439 1.00 10.01 C ATOM 1806 OD1 ASN A 116 4.991 8.408 -4.188 1.00 12.11 O ATOM 1807 ND2 ASN A 116 5.665 6.273 -4.016 1.00 74.44 N ATOM 0 H ASN A 116 1.301 6.327 -5.903 1.00 30.12 H new ATOM 0 HA ASN A 116 2.569 8.524 -4.712 1.00 60.23 H new ATOM 0 HB2 ASN A 116 3.114 5.963 -4.716 1.00 14.21 H new ATOM 0 HB3 ASN A 116 4.003 6.300 -6.189 1.00 14.21 H new ATOM 0 HD21 ASN A 116 6.481 6.528 -3.459 1.00 74.44 H new ATOM 0 HD22 ASN A 116 5.492 5.295 -4.248 1.00 74.44 H new ATOM 1814 N LYS A 117 4.257 9.503 -6.451 1.00 50.12 N ATOM 1815 CA LYS A 117 4.875 10.354 -7.461 1.00 11.53 C ATOM 1816 C LYS A 117 3.871 11.362 -8.011 1.00 51.13 C ATOM 1817 O LYS A 117 3.390 11.224 -9.136 1.00 44.22 O ATOM 1818 CB LYS A 117 5.441 9.503 -8.599 1.00 44.22 C ATOM 1819 CG LYS A 117 6.682 8.716 -8.209 1.00 14.33 C ATOM 1820 CD LYS A 117 7.045 7.688 -9.268 1.00 61.33 C ATOM 1821 CE LYS A 117 8.551 7.563 -9.432 1.00 31.31 C ATOM 1822 NZ LYS A 117 9.084 6.343 -8.764 1.00 2.52 N ATOM 0 H LYS A 117 4.686 9.565 -5.528 1.00 50.12 H new ATOM 0 HA LYS A 117 5.690 10.903 -6.989 1.00 11.53 H new ATOM 0 HB2 LYS A 117 4.673 8.809 -8.940 1.00 44.22 H new ATOM 0 HB3 LYS A 117 5.682 10.151 -9.442 1.00 44.22 H new ATOM 0 HG2 LYS A 117 7.518 9.401 -8.064 1.00 14.33 H new ATOM 0 HG3 LYS A 117 6.512 8.214 -7.257 1.00 14.33 H new ATOM 0 HD2 LYS A 117 6.626 6.719 -8.995 1.00 61.33 H new ATOM 0 HD3 LYS A 117 6.597 7.972 -10.220 1.00 61.33 H new ATOM 0 HE2 LYS A 117 8.799 7.534 -10.493 1.00 31.31 H new ATOM 0 HE3 LYS A 117 9.036 8.446 -9.016 1.00 31.31 H new ATOM 0 HZ1 LYS A 117 10.114 6.295 -8.899 1.00 2.52 H new ATOM 0 HZ2 LYS A 117 8.870 6.382 -7.747 1.00 2.52 H new ATOM 0 HZ3 LYS A 117 8.641 5.498 -9.179 1.00 2.52 H new ATOM 1836 N CYS A 118 3.558 12.374 -7.210 1.00 15.51 N ATOM 1837 CA CYS A 118 2.610 13.406 -7.614 1.00 4.21 C ATOM 1838 C CYS A 118 3.324 14.721 -7.918 1.00 32.35 C ATOM 1839 O CYS A 118 2.804 15.566 -8.647 1.00 13.12 O ATOM 1840 CB CYS A 118 1.564 13.623 -6.519 1.00 30.22 C ATOM 1841 SG CYS A 118 0.063 14.457 -7.086 1.00 31.32 S ATOM 0 H CYS A 118 3.947 12.502 -6.276 1.00 15.51 H new ATOM 0 HA CYS A 118 2.113 13.068 -8.523 1.00 4.21 H new ATOM 0 HB2 CYS A 118 1.292 12.656 -6.095 1.00 30.22 H new ATOM 0 HB3 CYS A 118 2.011 14.209 -5.716 1.00 30.22 H new ATOM 0 HG CYS A 118 -0.761 14.593 -6.090 1.00 31.32 H new ATOM 1847 N ASP A 119 4.517 14.891 -7.353 1.00 1.25 N ATOM 1848 CA ASP A 119 5.296 16.106 -7.564 1.00 61.12 C ATOM 1849 C ASP A 119 5.974 16.095 -8.931 1.00 11.51 C ATOM 1850 O ASP A 119 6.204 17.147 -9.528 1.00 23.12 O ATOM 1851 CB ASP A 119 6.347 16.259 -6.462 1.00 62.44 C ATOM 1852 CG ASP A 119 7.372 15.141 -6.480 1.00 51.43 C ATOM 1853 OD1 ASP A 119 6.992 13.983 -6.204 1.00 31.32 O ATOM 1854 OD2 ASP A 119 8.554 15.423 -6.770 1.00 63.45 O ATOM 0 H ASP A 119 4.964 14.203 -6.747 1.00 1.25 H new ATOM 0 HA ASP A 119 4.612 16.954 -7.528 1.00 61.12 H new ATOM 0 HB2 ASP A 119 6.855 17.216 -6.579 1.00 62.44 H new ATOM 0 HB3 ASP A 119 5.851 16.278 -5.491 1.00 62.44 H new ATOM 1859 N LEU A 120 6.296 14.901 -9.420 1.00 14.42 N ATOM 1860 CA LEU A 120 6.952 14.753 -10.716 1.00 65.24 C ATOM 1861 C LEU A 120 6.216 15.538 -11.800 1.00 62.41 C ATOM 1862 O LEU A 120 5.010 15.767 -11.703 1.00 2.31 O ATOM 1863 CB LEU A 120 7.029 13.275 -11.104 1.00 35.02 C ATOM 1864 CG LEU A 120 8.176 12.495 -10.460 1.00 51.42 C ATOM 1865 CD1 LEU A 120 8.198 11.062 -10.967 1.00 31.25 C ATOM 1866 CD2 LEU A 120 9.506 13.181 -10.735 1.00 73.05 C ATOM 0 H LEU A 120 6.113 14.021 -8.938 1.00 14.42 H new ATOM 0 HA LEU A 120 7.961 15.155 -10.629 1.00 65.24 H new ATOM 0 HB2 LEU A 120 6.088 12.795 -10.835 1.00 35.02 H new ATOM 0 HB3 LEU A 120 7.125 13.204 -12.187 1.00 35.02 H new ATOM 0 HG LEU A 120 8.016 12.474 -9.382 1.00 51.42 H new ATOM 0 HD11 LEU A 120 9.021 10.523 -10.498 1.00 31.25 H new ATOM 0 HD12 LEU A 120 7.256 10.574 -10.719 1.00 31.25 H new ATOM 0 HD13 LEU A 120 8.333 11.061 -12.049 1.00 31.25 H new ATOM 0 HD21 LEU A 120 10.311 12.613 -10.270 1.00 73.05 H new ATOM 0 HD22 LEU A 120 9.673 13.233 -11.811 1.00 73.05 H new ATOM 0 HD23 LEU A 120 9.488 14.189 -10.322 1.00 73.05 H new ATOM 1878 N ALA A 121 6.951 15.950 -12.828 1.00 24.14 N ATOM 1879 CA ALA A 121 6.370 16.712 -13.927 1.00 61.40 C ATOM 1880 C ALA A 121 6.197 15.847 -15.170 1.00 50.44 C ATOM 1881 O ALA A 121 6.342 16.324 -16.296 1.00 41.32 O ATOM 1882 CB ALA A 121 7.233 17.924 -14.241 1.00 50.45 C ATOM 0 H ALA A 121 7.950 15.769 -12.923 1.00 24.14 H new ATOM 0 HA ALA A 121 5.382 17.052 -13.616 1.00 61.40 H new ATOM 0 HB1 ALA A 121 6.788 18.484 -15.063 1.00 50.45 H new ATOM 0 HB2 ALA A 121 7.298 18.563 -13.360 1.00 50.45 H new ATOM 0 HB3 ALA A 121 8.233 17.595 -14.525 1.00 50.45 H new ATOM 1888 N ALA A 122 5.887 14.572 -14.960 1.00 41.41 N ATOM 1889 CA ALA A 122 5.694 13.641 -16.064 1.00 41.10 C ATOM 1890 C ALA A 122 4.587 12.641 -15.748 1.00 31.20 C ATOM 1891 O ALA A 122 4.841 11.446 -15.591 1.00 74.30 O ATOM 1892 CB ALA A 122 6.995 12.916 -16.370 1.00 10.15 C ATOM 0 H ALA A 122 5.764 14.160 -14.035 1.00 41.41 H new ATOM 0 HA ALA A 122 5.392 14.210 -16.944 1.00 41.10 H new ATOM 0 HB1 ALA A 122 6.839 12.223 -17.197 1.00 10.15 H new ATOM 0 HB2 ALA A 122 7.760 13.642 -16.644 1.00 10.15 H new ATOM 0 HB3 ALA A 122 7.319 12.363 -15.489 1.00 10.15 H new ATOM 1898 N ARG A 123 3.358 13.137 -15.653 1.00 51.11 N ATOM 1899 CA ARG A 123 2.213 12.289 -15.353 1.00 32.51 C ATOM 1900 C ARG A 123 1.647 11.672 -16.629 1.00 50.25 C ATOM 1901 O ARG A 123 1.043 12.363 -17.450 1.00 35.55 O ATOM 1902 CB ARG A 123 1.137 13.102 -14.624 1.00 52.54 C ATOM 1903 CG ARG A 123 -0.243 12.463 -14.642 1.00 4.40 C ATOM 1904 CD ARG A 123 -1.103 13.033 -15.758 1.00 52.43 C ATOM 1905 NE ARG A 123 -2.171 13.887 -15.244 1.00 12.23 N ATOM 1906 CZ ARG A 123 -3.236 14.251 -15.955 1.00 64.12 C ATOM 1907 NH1 ARG A 123 -3.380 13.837 -17.208 1.00 72.32 N ATOM 1908 NH2 ARG A 123 -4.159 15.033 -15.412 1.00 13.20 N ATOM 0 H ARG A 123 3.130 14.123 -15.780 1.00 51.11 H new ATOM 0 HA ARG A 123 2.541 11.477 -14.704 1.00 32.51 H new ATOM 0 HB2 ARG A 123 1.445 13.246 -13.589 1.00 52.54 H new ATOM 0 HB3 ARG A 123 1.074 14.091 -15.078 1.00 52.54 H new ATOM 0 HG2 ARG A 123 -0.145 11.385 -14.770 1.00 4.40 H new ATOM 0 HG3 ARG A 123 -0.734 12.626 -13.683 1.00 4.40 H new ATOM 0 HD2 ARG A 123 -0.477 13.607 -16.441 1.00 52.43 H new ATOM 0 HD3 ARG A 123 -1.538 12.216 -16.334 1.00 52.43 H new ATOM 0 HE ARG A 123 -2.096 14.224 -14.284 1.00 12.23 H new ATOM 0 HH11 ARG A 123 -2.672 13.237 -17.631 1.00 72.32 H new ATOM 0 HH12 ARG A 123 -4.198 14.119 -17.748 1.00 72.32 H new ATOM 0 HH21 ARG A 123 -4.053 15.355 -14.450 1.00 13.20 H new ATOM 0 HH22 ARG A 123 -4.975 15.312 -15.956 1.00 13.20 H new ATOM 1922 N THR A 124 1.842 10.368 -16.787 1.00 34.22 N ATOM 1923 CA THR A 124 1.347 9.657 -17.959 1.00 44.04 C ATOM 1924 C THR A 124 -0.133 9.327 -17.800 1.00 54.42 C ATOM 1925 O THR A 124 -0.977 9.838 -18.536 1.00 53.43 O ATOM 1926 CB THR A 124 2.149 8.374 -18.181 1.00 21.40 C ATOM 1927 OG1 THR A 124 2.180 7.591 -17.002 1.00 72.22 O ATOM 1928 CG2 THR A 124 3.581 8.630 -18.600 1.00 52.21 C ATOM 0 H THR A 124 2.340 9.781 -16.117 1.00 34.22 H new ATOM 0 HA THR A 124 1.468 10.303 -18.828 1.00 44.04 H new ATOM 0 HB THR A 124 1.638 7.850 -18.989 1.00 21.40 H new ATOM 0 HG1 THR A 124 2.116 8.176 -16.219 1.00 72.22 H new ATOM 0 HG21 THR A 124 4.094 7.679 -18.741 1.00 52.21 H new ATOM 0 HG22 THR A 124 3.592 9.190 -19.535 1.00 52.21 H new ATOM 0 HG23 THR A 124 4.089 9.205 -17.826 1.00 52.21 H new ATOM 1936 N VAL A 125 -0.441 8.472 -16.829 1.00 32.31 N ATOM 1937 CA VAL A 125 -1.817 8.077 -16.568 1.00 74.42 C ATOM 1938 C VAL A 125 -2.565 9.174 -15.817 1.00 75.34 C ATOM 1939 O VAL A 125 -2.305 9.423 -14.640 1.00 73.12 O ATOM 1940 CB VAL A 125 -1.878 6.774 -15.749 1.00 30.41 C ATOM 1941 CG1 VAL A 125 -3.315 6.306 -15.591 1.00 25.44 C ATOM 1942 CG2 VAL A 125 -1.027 5.695 -16.402 1.00 54.51 C ATOM 0 H VAL A 125 0.246 8.040 -16.211 1.00 32.31 H new ATOM 0 HA VAL A 125 -2.293 7.912 -17.535 1.00 74.42 H new ATOM 0 HB VAL A 125 -1.476 6.972 -14.755 1.00 30.41 H new ATOM 0 HG11 VAL A 125 -3.336 5.384 -15.010 1.00 25.44 H new ATOM 0 HG12 VAL A 125 -3.893 7.073 -15.076 1.00 25.44 H new ATOM 0 HG13 VAL A 125 -3.749 6.124 -16.574 1.00 25.44 H new ATOM 0 HG21 VAL A 125 -1.081 4.781 -15.810 1.00 54.51 H new ATOM 0 HG22 VAL A 125 -1.398 5.499 -17.408 1.00 54.51 H new ATOM 0 HG23 VAL A 125 0.008 6.031 -16.456 1.00 54.51 H new ATOM 1952 N GLU A 126 -3.494 9.828 -16.507 1.00 34.45 N ATOM 1953 CA GLU A 126 -4.280 10.901 -15.908 1.00 11.03 C ATOM 1954 C GLU A 126 -4.985 10.423 -14.642 1.00 61.42 C ATOM 1955 O GLU A 126 -5.199 9.226 -14.452 1.00 4.03 O ATOM 1956 CB GLU A 126 -5.309 11.426 -16.910 1.00 62.34 C ATOM 1957 CG GLU A 126 -6.172 10.335 -17.521 1.00 10.10 C ATOM 1958 CD GLU A 126 -7.558 10.825 -17.892 1.00 62.13 C ATOM 1959 OE1 GLU A 126 -7.709 12.038 -18.152 1.00 42.34 O ATOM 1960 OE2 GLU A 126 -8.492 9.997 -17.924 1.00 13.23 O ATOM 0 H GLU A 126 -3.721 9.634 -17.482 1.00 34.45 H new ATOM 0 HA GLU A 126 -3.598 11.708 -15.638 1.00 11.03 H new ATOM 0 HB2 GLU A 126 -5.953 12.151 -16.412 1.00 62.34 H new ATOM 0 HB3 GLU A 126 -4.789 11.957 -17.708 1.00 62.34 H new ATOM 0 HG2 GLU A 126 -5.679 9.943 -18.411 1.00 10.10 H new ATOM 0 HG3 GLU A 126 -6.260 9.509 -16.815 1.00 10.10 H new ATOM 1967 N SER A 127 -5.341 11.368 -13.779 1.00 63.15 N ATOM 1968 CA SER A 127 -6.020 11.047 -12.527 1.00 44.13 C ATOM 1969 C SER A 127 -7.414 10.486 -12.789 1.00 64.22 C ATOM 1970 O SER A 127 -7.862 9.566 -12.105 1.00 53.40 O ATOM 1971 CB SER A 127 -6.117 12.292 -11.643 1.00 14.01 C ATOM 1972 OG SER A 127 -7.047 13.221 -12.171 1.00 55.54 O ATOM 0 H SER A 127 -5.171 12.363 -13.923 1.00 63.15 H new ATOM 0 HA SER A 127 -5.435 10.286 -12.011 1.00 44.13 H new ATOM 0 HB2 SER A 127 -6.418 12.004 -10.636 1.00 14.01 H new ATOM 0 HB3 SER A 127 -5.136 12.761 -11.561 1.00 14.01 H new ATOM 0 HG SER A 127 -7.092 14.007 -11.587 1.00 55.54 H new ATOM 1978 N ARG A 128 -8.096 11.047 -13.783 1.00 61.13 N ATOM 1979 CA ARG A 128 -9.440 10.604 -14.137 1.00 20.40 C ATOM 1980 C ARG A 128 -9.456 9.110 -14.454 1.00 73.20 C ATOM 1981 O ARG A 128 -10.352 8.384 -14.024 1.00 52.31 O ATOM 1982 CB ARG A 128 -9.959 11.405 -15.336 1.00 50.34 C ATOM 1983 CG ARG A 128 -11.251 10.864 -15.930 1.00 54.45 C ATOM 1984 CD ARG A 128 -12.344 10.745 -14.880 1.00 35.10 C ATOM 1985 NE ARG A 128 -13.589 10.230 -15.445 1.00 61.53 N ATOM 1986 CZ ARG A 128 -14.712 10.077 -14.748 1.00 11.54 C ATOM 1987 NH1 ARG A 128 -14.752 10.398 -13.461 1.00 53.24 N ATOM 1988 NH2 ARG A 128 -15.800 9.603 -15.341 1.00 13.34 N ATOM 0 H ARG A 128 -7.739 11.810 -14.358 1.00 61.13 H new ATOM 0 HA ARG A 128 -10.094 10.778 -13.283 1.00 20.40 H new ATOM 0 HB2 ARG A 128 -10.118 12.438 -15.028 1.00 50.34 H new ATOM 0 HB3 ARG A 128 -9.192 11.417 -16.111 1.00 50.34 H new ATOM 0 HG2 ARG A 128 -11.586 11.521 -16.732 1.00 54.45 H new ATOM 0 HG3 ARG A 128 -11.066 9.887 -16.375 1.00 54.45 H new ATOM 0 HD2 ARG A 128 -12.008 10.085 -14.080 1.00 35.10 H new ATOM 0 HD3 ARG A 128 -12.525 11.722 -14.432 1.00 35.10 H new ATOM 0 HE ARG A 128 -13.598 9.973 -16.432 1.00 61.53 H new ATOM 0 HH11 ARG A 128 -13.919 10.764 -13.001 1.00 53.24 H new ATOM 0 HH12 ARG A 128 -15.616 10.278 -12.932 1.00 53.24 H new ATOM 0 HH21 ARG A 128 -15.775 9.356 -16.330 1.00 13.34 H new ATOM 0 HH22 ARG A 128 -16.661 9.485 -14.808 1.00 13.34 H new ATOM 2002 N GLN A 129 -8.459 8.659 -15.207 1.00 24.22 N ATOM 2003 CA GLN A 129 -8.360 7.253 -15.580 1.00 41.23 C ATOM 2004 C GLN A 129 -8.082 6.383 -14.358 1.00 23.42 C ATOM 2005 O GLN A 129 -8.601 5.273 -14.243 1.00 15.04 O ATOM 2006 CB GLN A 129 -7.257 7.058 -16.622 1.00 72.14 C ATOM 2007 CG GLN A 129 -7.386 5.766 -17.411 1.00 74.55 C ATOM 2008 CD GLN A 129 -6.362 5.656 -18.523 1.00 14.04 C ATOM 2009 OE1 GLN A 129 -6.337 6.475 -19.443 1.00 34.43 O ATOM 2010 NE2 GLN A 129 -5.509 4.641 -18.445 1.00 5.52 N ATOM 0 H GLN A 129 -7.708 9.246 -15.571 1.00 24.22 H new ATOM 0 HA GLN A 129 -9.314 6.948 -16.009 1.00 41.23 H new ATOM 0 HB2 GLN A 129 -7.270 7.900 -17.315 1.00 72.14 H new ATOM 0 HB3 GLN A 129 -6.289 7.073 -16.121 1.00 72.14 H new ATOM 0 HG2 GLN A 129 -7.274 4.919 -16.734 1.00 74.55 H new ATOM 0 HG3 GLN A 129 -8.387 5.703 -17.837 1.00 74.55 H new ATOM 0 HE21 GLN A 129 -5.566 3.986 -17.665 1.00 5.52 H new ATOM 0 HE22 GLN A 129 -4.797 4.517 -19.165 1.00 5.52 H new ATOM 2019 N ALA A 130 -7.259 6.894 -13.449 1.00 62.23 N ATOM 2020 CA ALA A 130 -6.911 6.164 -12.236 1.00 22.32 C ATOM 2021 C ALA A 130 -8.087 6.116 -11.267 1.00 13.54 C ATOM 2022 O ALA A 130 -8.300 5.115 -10.583 1.00 30.50 O ATOM 2023 CB ALA A 130 -5.700 6.798 -11.568 1.00 73.41 C ATOM 0 H ALA A 130 -6.820 7.811 -13.529 1.00 62.23 H new ATOM 0 HA ALA A 130 -6.664 5.140 -12.516 1.00 22.32 H new ATOM 0 HB1 ALA A 130 -5.451 6.243 -10.664 1.00 73.41 H new ATOM 0 HB2 ALA A 130 -4.853 6.774 -12.253 1.00 73.41 H new ATOM 0 HB3 ALA A 130 -5.927 7.832 -11.308 1.00 73.41 H new ATOM 2029 N GLN A 131 -8.849 7.204 -11.213 1.00 3.30 N ATOM 2030 CA GLN A 131 -10.004 7.286 -10.326 1.00 41.42 C ATOM 2031 C GLN A 131 -11.132 6.381 -10.814 1.00 74.30 C ATOM 2032 O GLN A 131 -11.928 5.881 -10.019 1.00 50.24 O ATOM 2033 CB GLN A 131 -10.497 8.731 -10.229 1.00 21.24 C ATOM 2034 CG GLN A 131 -9.974 9.472 -9.009 1.00 5.15 C ATOM 2035 CD GLN A 131 -11.086 10.025 -8.139 1.00 12.31 C ATOM 2036 OE1 GLN A 131 -11.443 11.199 -8.239 1.00 63.13 O ATOM 2037 NE2 GLN A 131 -11.640 9.179 -7.277 1.00 72.50 N ATOM 0 H GLN A 131 -8.687 8.041 -11.773 1.00 3.30 H new ATOM 0 HA GLN A 131 -9.696 6.948 -9.337 1.00 41.42 H new ATOM 0 HB2 GLN A 131 -10.196 9.270 -11.128 1.00 21.24 H new ATOM 0 HB3 GLN A 131 -11.587 8.733 -10.206 1.00 21.24 H new ATOM 0 HG2 GLN A 131 -9.356 8.797 -8.416 1.00 5.15 H new ATOM 0 HG3 GLN A 131 -9.331 10.290 -9.334 1.00 5.15 H new ATOM 0 HE21 GLN A 131 -11.313 8.214 -7.228 1.00 72.50 H new ATOM 0 HE22 GLN A 131 -12.392 9.494 -6.665 1.00 72.50 H new ATOM 2046 N ASP A 132 -11.196 6.176 -12.126 1.00 33.44 N ATOM 2047 CA ASP A 132 -12.227 5.332 -12.719 1.00 4.40 C ATOM 2048 C ASP A 132 -12.175 3.920 -12.144 1.00 61.20 C ATOM 2049 O ASP A 132 -13.210 3.316 -11.859 1.00 43.20 O ATOM 2050 CB ASP A 132 -12.063 5.282 -14.239 1.00 52.53 C ATOM 2051 CG ASP A 132 -13.243 4.623 -14.926 1.00 71.22 C ATOM 2052 OD1 ASP A 132 -14.374 4.745 -14.411 1.00 43.30 O ATOM 2053 OD2 ASP A 132 -13.036 3.985 -15.980 1.00 1.03 O ATOM 0 H ASP A 132 -10.546 6.583 -12.799 1.00 33.44 H new ATOM 0 HA ASP A 132 -13.197 5.766 -12.479 1.00 4.40 H new ATOM 0 HB2 ASP A 132 -11.942 6.295 -14.622 1.00 52.53 H new ATOM 0 HB3 ASP A 132 -11.152 4.737 -14.486 1.00 52.53 H new ATOM 2058 N LEU A 133 -10.964 3.399 -11.976 1.00 0.34 N ATOM 2059 CA LEU A 133 -10.778 2.057 -11.435 1.00 74.44 C ATOM 2060 C LEU A 133 -11.067 2.029 -9.938 1.00 62.23 C ATOM 2061 O LEU A 133 -11.840 1.199 -9.460 1.00 50.11 O ATOM 2062 CB LEU A 133 -9.351 1.571 -11.701 1.00 43.45 C ATOM 2063 CG LEU A 133 -9.002 0.216 -11.084 1.00 24.14 C ATOM 2064 CD1 LEU A 133 -9.609 -0.915 -11.900 1.00 34.44 C ATOM 2065 CD2 LEU A 133 -7.494 0.052 -10.979 1.00 11.10 C ATOM 0 H LEU A 133 -10.097 3.885 -12.206 1.00 0.34 H new ATOM 0 HA LEU A 133 -11.481 1.390 -11.934 1.00 74.44 H new ATOM 0 HB2 LEU A 133 -9.199 1.512 -12.779 1.00 43.45 H new ATOM 0 HB3 LEU A 133 -8.653 2.317 -11.321 1.00 43.45 H new ATOM 0 HG LEU A 133 -9.423 0.176 -10.079 1.00 24.14 H new ATOM 0 HD11 LEU A 133 -9.350 -1.871 -11.446 1.00 34.44 H new ATOM 0 HD12 LEU A 133 -10.693 -0.806 -11.923 1.00 34.44 H new ATOM 0 HD13 LEU A 133 -9.219 -0.879 -12.917 1.00 34.44 H new ATOM 0 HD21 LEU A 133 -7.263 -0.918 -10.538 1.00 11.10 H new ATOM 0 HD22 LEU A 133 -7.051 0.113 -11.973 1.00 11.10 H new ATOM 0 HD23 LEU A 133 -7.085 0.843 -10.351 1.00 11.10 H new ATOM 2077 N ALA A 134 -10.439 2.941 -9.202 1.00 4.44 N ATOM 2078 CA ALA A 134 -10.627 3.019 -7.758 1.00 63.43 C ATOM 2079 C ALA A 134 -12.097 3.215 -7.404 1.00 22.42 C ATOM 2080 O ALA A 134 -12.621 2.561 -6.503 1.00 55.14 O ATOM 2081 CB ALA A 134 -9.789 4.148 -7.178 1.00 71.45 C ATOM 0 H ALA A 134 -9.796 3.636 -9.582 1.00 4.44 H new ATOM 0 HA ALA A 134 -10.299 2.075 -7.323 1.00 63.43 H new ATOM 0 HB1 ALA A 134 -9.939 4.195 -6.099 1.00 71.45 H new ATOM 0 HB2 ALA A 134 -8.736 3.965 -7.391 1.00 71.45 H new ATOM 0 HB3 ALA A 134 -10.091 5.094 -7.628 1.00 71.45 H new ATOM 2087 N ARG A 135 -12.758 4.120 -8.120 1.00 54.45 N ATOM 2088 CA ARG A 135 -14.169 4.401 -7.881 1.00 32.40 C ATOM 2089 C ARG A 135 -15.011 3.142 -8.060 1.00 35.11 C ATOM 2090 O ARG A 135 -15.923 2.877 -7.277 1.00 74.34 O ATOM 2091 CB ARG A 135 -14.661 5.496 -8.829 1.00 72.04 C ATOM 2092 CG ARG A 135 -16.076 5.965 -8.535 1.00 12.11 C ATOM 2093 CD ARG A 135 -17.107 5.117 -9.263 1.00 71.32 C ATOM 2094 NE ARG A 135 -18.201 5.924 -9.797 1.00 61.11 N ATOM 2095 CZ ARG A 135 -19.136 5.453 -10.619 1.00 71.12 C ATOM 2096 NH1 ARG A 135 -19.114 4.183 -11.003 1.00 75.10 N ATOM 2097 NH2 ARG A 135 -20.097 6.255 -11.058 1.00 61.34 N ATOM 0 H ARG A 135 -12.339 4.671 -8.870 1.00 54.45 H new ATOM 0 HA ARG A 135 -14.276 4.746 -6.853 1.00 32.40 H new ATOM 0 HB2 ARG A 135 -13.985 6.349 -8.768 1.00 72.04 H new ATOM 0 HB3 ARG A 135 -14.615 5.126 -9.853 1.00 72.04 H new ATOM 0 HG2 ARG A 135 -16.259 5.921 -7.461 1.00 12.11 H new ATOM 0 HG3 ARG A 135 -16.184 7.008 -8.834 1.00 12.11 H new ATOM 0 HD2 ARG A 135 -16.623 4.578 -10.078 1.00 71.32 H new ATOM 0 HD3 ARG A 135 -17.509 4.369 -8.580 1.00 71.32 H new ATOM 0 HE ARG A 135 -18.251 6.906 -9.524 1.00 61.11 H new ATOM 0 HH11 ARG A 135 -18.378 3.562 -10.668 1.00 75.10 H new ATOM 0 HH12 ARG A 135 -19.833 3.828 -11.633 1.00 75.10 H new ATOM 0 HH21 ARG A 135 -20.119 7.232 -10.766 1.00 61.34 H new ATOM 0 HH22 ARG A 135 -20.814 5.895 -11.688 1.00 61.34 H new ATOM 2111 N SER A 136 -14.695 2.367 -9.092 1.00 61.11 N ATOM 2112 CA SER A 136 -15.420 1.133 -9.370 1.00 53.43 C ATOM 2113 C SER A 136 -15.053 0.053 -8.358 1.00 23.23 C ATOM 2114 O SER A 136 -15.904 -0.726 -7.929 1.00 23.52 O ATOM 2115 CB SER A 136 -15.116 0.644 -10.788 1.00 35.44 C ATOM 2116 OG SER A 136 -15.880 1.354 -11.747 1.00 44.15 O ATOM 0 H SER A 136 -13.942 2.571 -9.749 1.00 61.11 H new ATOM 0 HA SER A 136 -16.487 1.340 -9.288 1.00 53.43 H new ATOM 0 HB2 SER A 136 -14.054 0.769 -10.999 1.00 35.44 H new ATOM 0 HB3 SER A 136 -15.332 -0.422 -10.863 1.00 35.44 H new ATOM 0 HG SER A 136 -15.666 1.024 -12.645 1.00 44.15 H new ATOM 2122 N TYR A 137 -13.780 0.016 -7.980 1.00 52.15 N ATOM 2123 CA TYR A 137 -13.296 -0.964 -7.016 1.00 64.43 C ATOM 2124 C TYR A 137 -13.967 -0.774 -5.659 1.00 53.33 C ATOM 2125 O TYR A 137 -14.072 -1.714 -4.871 1.00 73.42 O ATOM 2126 CB TYR A 137 -11.776 -0.855 -6.868 1.00 15.41 C ATOM 2127 CG TYR A 137 -11.007 -1.751 -7.815 1.00 2.14 C ATOM 2128 CD1 TYR A 137 -11.496 -2.042 -9.083 1.00 34.32 C ATOM 2129 CD2 TYR A 137 -9.790 -2.306 -7.438 1.00 53.13 C ATOM 2130 CE1 TYR A 137 -10.794 -2.861 -9.948 1.00 44.24 C ATOM 2131 CE2 TYR A 137 -9.083 -3.125 -8.298 1.00 43.34 C ATOM 2132 CZ TYR A 137 -9.589 -3.400 -9.551 1.00 3.40 C ATOM 2133 OH TYR A 137 -8.888 -4.216 -10.409 1.00 42.22 O ATOM 0 H TYR A 137 -13.064 0.654 -8.327 1.00 52.15 H new ATOM 0 HA TYR A 137 -13.549 -1.957 -7.387 1.00 64.43 H new ATOM 0 HB2 TYR A 137 -11.477 0.179 -7.037 1.00 15.41 H new ATOM 0 HB3 TYR A 137 -11.501 -1.103 -5.843 1.00 15.41 H new ATOM 0 HD1 TYR A 137 -12.440 -1.622 -9.398 1.00 34.32 H new ATOM 0 HD2 TYR A 137 -9.390 -2.094 -6.457 1.00 53.13 H new ATOM 0 HE1 TYR A 137 -11.188 -3.077 -10.930 1.00 44.24 H new ATOM 0 HE2 TYR A 137 -8.138 -3.548 -7.990 1.00 43.34 H new ATOM 0 HH TYR A 137 -9.203 -4.074 -11.326 1.00 42.22 H new ATOM 2143 N GLY A 138 -14.419 0.448 -5.393 1.00 24.42 N ATOM 2144 CA GLY A 138 -15.073 0.736 -4.130 1.00 13.25 C ATOM 2145 C GLY A 138 -14.102 1.205 -3.062 1.00 4.50 C ATOM 2146 O GLY A 138 -14.451 1.262 -1.883 1.00 70.42 O ATOM 0 H GLY A 138 -14.344 1.242 -6.029 1.00 24.42 H new ATOM 0 HA2 GLY A 138 -15.833 1.501 -4.285 1.00 13.25 H new ATOM 0 HA3 GLY A 138 -15.588 -0.159 -3.780 1.00 13.25 H new ATOM 2150 N ILE A 139 -12.883 1.542 -3.472 1.00 42.45 N ATOM 2151 CA ILE A 139 -11.865 2.007 -2.536 1.00 42.44 C ATOM 2152 C ILE A 139 -11.525 3.476 -2.771 1.00 40.11 C ATOM 2153 O ILE A 139 -11.697 3.993 -3.875 1.00 35.42 O ATOM 2154 CB ILE A 139 -10.579 1.176 -2.632 1.00 31.51 C ATOM 2155 CG1 ILE A 139 -10.252 0.862 -4.087 1.00 12.44 C ATOM 2156 CG2 ILE A 139 -10.719 -0.106 -1.825 1.00 5.31 C ATOM 2157 CD1 ILE A 139 -8.985 0.064 -4.241 1.00 64.13 C ATOM 0 H ILE A 139 -12.577 1.502 -4.444 1.00 42.45 H new ATOM 0 HA ILE A 139 -12.287 1.888 -1.538 1.00 42.44 H new ATOM 0 HB ILE A 139 -9.757 1.759 -2.216 1.00 31.51 H new ATOM 0 HG12 ILE A 139 -11.080 0.309 -4.530 1.00 12.44 H new ATOM 0 HG13 ILE A 139 -10.158 1.795 -4.643 1.00 12.44 H new ATOM 0 HG21 ILE A 139 -9.800 -0.686 -1.902 1.00 5.31 H new ATOM 0 HG22 ILE A 139 -10.906 0.141 -0.780 1.00 5.31 H new ATOM 0 HG23 ILE A 139 -11.551 -0.692 -2.214 1.00 5.31 H new ATOM 0 HD11 ILE A 139 -8.803 -0.130 -5.298 1.00 64.13 H new ATOM 0 HD12 ILE A 139 -8.148 0.626 -3.826 1.00 64.13 H new ATOM 0 HD13 ILE A 139 -9.085 -0.883 -3.711 1.00 64.13 H new ATOM 2169 N PRO A 140 -11.034 4.170 -1.730 1.00 53.32 N ATOM 2170 CA PRO A 140 -10.667 5.586 -1.828 1.00 51.30 C ATOM 2171 C PRO A 140 -9.403 5.801 -2.652 1.00 71.23 C ATOM 2172 O PRO A 140 -8.597 4.886 -2.820 1.00 52.24 O ATOM 2173 CB PRO A 140 -10.429 5.992 -0.372 1.00 24.40 C ATOM 2174 CG PRO A 140 -10.039 4.729 0.314 1.00 74.52 C ATOM 2175 CD PRO A 140 -10.797 3.628 -0.378 1.00 24.12 C ATOM 0 HA PRO A 140 -11.437 6.173 -2.329 1.00 51.30 H new ATOM 0 HB2 PRO A 140 -9.644 6.744 -0.294 1.00 24.40 H new ATOM 0 HB3 PRO A 140 -11.327 6.422 0.071 1.00 24.40 H new ATOM 0 HG2 PRO A 140 -8.964 4.564 0.246 1.00 74.52 H new ATOM 0 HG3 PRO A 140 -10.289 4.768 1.374 1.00 74.52 H new ATOM 0 HD2 PRO A 140 -10.221 2.704 -0.412 1.00 24.12 H new ATOM 0 HD3 PRO A 140 -11.733 3.402 0.133 1.00 24.12 H new ATOM 2183 N TYR A 141 -9.234 7.016 -3.161 1.00 22.35 N ATOM 2184 CA TYR A 141 -8.064 7.351 -3.966 1.00 55.02 C ATOM 2185 C TYR A 141 -7.300 8.520 -3.353 1.00 1.43 C ATOM 2186 O TYR A 141 -7.819 9.633 -3.257 1.00 64.23 O ATOM 2187 CB TYR A 141 -8.481 7.692 -5.398 1.00 22.34 C ATOM 2188 CG TYR A 141 -7.330 8.142 -6.271 1.00 25.44 C ATOM 2189 CD1 TYR A 141 -6.331 7.253 -6.647 1.00 20.04 C ATOM 2190 CD2 TYR A 141 -7.241 9.455 -6.714 1.00 2.32 C ATOM 2191 CE1 TYR A 141 -5.275 7.661 -7.440 1.00 22.52 C ATOM 2192 CE2 TYR A 141 -6.189 9.871 -7.507 1.00 63.03 C ATOM 2193 CZ TYR A 141 -5.209 8.970 -7.867 1.00 0.51 C ATOM 2194 OH TYR A 141 -4.159 9.380 -8.657 1.00 72.11 O ATOM 0 H TYR A 141 -9.891 7.785 -3.031 1.00 22.35 H new ATOM 0 HA TYR A 141 -7.407 6.481 -3.986 1.00 55.02 H new ATOM 0 HB2 TYR A 141 -8.949 6.817 -5.850 1.00 22.34 H new ATOM 0 HB3 TYR A 141 -9.235 8.479 -5.371 1.00 22.34 H new ATOM 0 HD1 TYR A 141 -6.380 6.227 -6.314 1.00 20.04 H new ATOM 0 HD2 TYR A 141 -8.007 10.163 -6.434 1.00 2.32 H new ATOM 0 HE1 TYR A 141 -4.506 6.958 -7.724 1.00 22.52 H new ATOM 0 HE2 TYR A 141 -6.134 10.896 -7.843 1.00 63.03 H new ATOM 0 HH TYR A 141 -3.812 10.233 -8.322 1.00 72.11 H new ATOM 2204 N ILE A 142 -6.064 8.260 -2.940 1.00 61.13 N ATOM 2205 CA ILE A 142 -5.226 9.284 -2.339 1.00 11.53 C ATOM 2206 C ILE A 142 -3.972 9.522 -3.174 1.00 54.15 C ATOM 2207 O ILE A 142 -3.518 8.633 -3.895 1.00 21.50 O ATOM 2208 CB ILE A 142 -4.816 8.893 -0.908 1.00 11.25 C ATOM 2209 CG1 ILE A 142 -6.041 8.447 -0.105 1.00 44.42 C ATOM 2210 CG2 ILE A 142 -4.119 10.056 -0.224 1.00 55.25 C ATOM 2211 CD1 ILE A 142 -6.096 6.954 0.133 1.00 5.31 C ATOM 0 H ILE A 142 -5.622 7.344 -3.012 1.00 61.13 H new ATOM 0 HA ILE A 142 -5.812 10.202 -2.303 1.00 11.53 H new ATOM 0 HB ILE A 142 -4.119 8.057 -0.960 1.00 11.25 H new ATOM 0 HG12 ILE A 142 -6.042 8.960 0.857 1.00 44.42 H new ATOM 0 HG13 ILE A 142 -6.943 8.756 -0.632 1.00 44.42 H new ATOM 0 HG21 ILE A 142 -3.834 9.766 0.787 1.00 55.25 H new ATOM 0 HG22 ILE A 142 -3.227 10.328 -0.788 1.00 55.25 H new ATOM 0 HG23 ILE A 142 -4.795 10.910 -0.180 1.00 55.25 H new ATOM 0 HD11 ILE A 142 -6.989 6.710 0.708 1.00 5.31 H new ATOM 0 HD12 ILE A 142 -6.127 6.434 -0.824 1.00 5.31 H new ATOM 0 HD13 ILE A 142 -5.211 6.641 0.688 1.00 5.31 H new ATOM 2223 N GLU A 143 -3.418 10.725 -3.078 1.00 42.31 N ATOM 2224 CA GLU A 143 -2.218 11.075 -3.830 1.00 42.24 C ATOM 2225 C GLU A 143 -1.079 11.458 -2.892 1.00 12.22 C ATOM 2226 O GLU A 143 -1.199 12.399 -2.107 1.00 3.45 O ATOM 2227 CB GLU A 143 -2.512 12.227 -4.792 1.00 22.00 C ATOM 2228 CG GLU A 143 -3.409 11.833 -5.954 1.00 33.30 C ATOM 2229 CD GLU A 143 -3.113 12.623 -7.213 1.00 53.44 C ATOM 2230 OE1 GLU A 143 -3.561 13.786 -7.304 1.00 71.34 O ATOM 2231 OE2 GLU A 143 -2.433 12.080 -8.109 1.00 31.31 O ATOM 0 H GLU A 143 -3.780 11.474 -2.488 1.00 42.31 H new ATOM 0 HA GLU A 143 -1.912 10.200 -4.404 1.00 42.24 H new ATOM 0 HB2 GLU A 143 -2.983 13.040 -4.239 1.00 22.00 H new ATOM 0 HB3 GLU A 143 -1.571 12.611 -5.184 1.00 22.00 H new ATOM 0 HG2 GLU A 143 -3.285 10.770 -6.159 1.00 33.30 H new ATOM 0 HG3 GLU A 143 -4.451 11.984 -5.671 1.00 33.30 H new ATOM 2238 N THR A 144 0.027 10.723 -2.977 1.00 23.22 N ATOM 2239 CA THR A 144 1.185 10.989 -2.132 1.00 54.14 C ATOM 2240 C THR A 144 2.470 11.021 -2.953 1.00 31.40 C ATOM 2241 O THR A 144 2.477 10.663 -4.131 1.00 25.43 O ATOM 2242 CB THR A 144 1.294 9.932 -1.033 1.00 42.45 C ATOM 2243 OG1 THR A 144 1.485 8.644 -1.592 1.00 71.23 O ATOM 2244 CG2 THR A 144 0.073 9.869 -0.141 1.00 44.44 C ATOM 0 H THR A 144 0.144 9.941 -3.621 1.00 23.22 H new ATOM 0 HA THR A 144 1.048 11.968 -1.674 1.00 54.14 H new ATOM 0 HB THR A 144 2.151 10.231 -0.429 1.00 42.45 H new ATOM 0 HG1 THR A 144 1.554 7.982 -0.873 1.00 71.23 H new ATOM 0 HG21 THR A 144 0.216 9.099 0.617 1.00 44.44 H new ATOM 0 HG22 THR A 144 -0.073 10.834 0.345 1.00 44.44 H new ATOM 0 HG23 THR A 144 -0.804 9.629 -0.742 1.00 44.44 H new ATOM 2252 N SER A 145 3.556 11.454 -2.321 1.00 72.13 N ATOM 2253 CA SER A 145 4.851 11.535 -2.987 1.00 75.50 C ATOM 2254 C SER A 145 5.974 11.119 -2.041 1.00 61.33 C ATOM 2255 O SER A 145 6.262 11.809 -1.063 1.00 41.22 O ATOM 2256 CB SER A 145 5.098 12.956 -3.497 1.00 73.33 C ATOM 2257 OG SER A 145 4.714 13.918 -2.530 1.00 73.32 O ATOM 0 H SER A 145 3.565 11.755 -1.346 1.00 72.13 H new ATOM 0 HA SER A 145 4.840 10.850 -3.835 1.00 75.50 H new ATOM 0 HB2 SER A 145 6.153 13.081 -3.739 1.00 73.33 H new ATOM 0 HB3 SER A 145 4.538 13.118 -4.418 1.00 73.33 H new ATOM 0 HG SER A 145 5.483 14.484 -2.308 1.00 73.32 H new ATOM 2263 N ALA A 146 6.602 9.986 -2.338 1.00 44.33 N ATOM 2264 CA ALA A 146 7.690 9.475 -1.512 1.00 70.41 C ATOM 2265 C ALA A 146 8.888 10.421 -1.515 1.00 35.15 C ATOM 2266 O ALA A 146 9.686 10.427 -0.578 1.00 24.23 O ATOM 2267 CB ALA A 146 8.110 8.093 -1.993 1.00 5.53 C ATOM 0 H ALA A 146 6.376 9.404 -3.145 1.00 44.33 H new ATOM 0 HA ALA A 146 7.325 9.403 -0.487 1.00 70.41 H new ATOM 0 HB1 ALA A 146 8.923 7.722 -1.369 1.00 5.53 H new ATOM 0 HB2 ALA A 146 7.262 7.412 -1.927 1.00 5.53 H new ATOM 0 HB3 ALA A 146 8.446 8.155 -3.028 1.00 5.53 H new ATOM 2273 N LYS A 147 9.014 11.214 -2.574 1.00 54.44 N ATOM 2274 CA LYS A 147 10.122 12.155 -2.694 1.00 34.51 C ATOM 2275 C LYS A 147 9.834 13.451 -1.941 1.00 21.43 C ATOM 2276 O LYS A 147 10.501 13.769 -0.956 1.00 35.23 O ATOM 2277 CB LYS A 147 10.401 12.461 -4.166 1.00 20.14 C ATOM 2278 CG LYS A 147 11.797 13.003 -4.420 1.00 41.34 C ATOM 2279 CD LYS A 147 12.846 11.907 -4.325 1.00 72.43 C ATOM 2280 CE LYS A 147 14.252 12.468 -4.462 1.00 61.43 C ATOM 2281 NZ LYS A 147 15.265 11.595 -3.808 1.00 53.15 N ATOM 0 H LYS A 147 8.364 11.224 -3.360 1.00 54.44 H new ATOM 0 HA LYS A 147 11.002 11.691 -2.249 1.00 34.51 H new ATOM 0 HB2 LYS A 147 10.261 11.552 -4.750 1.00 20.14 H new ATOM 0 HB3 LYS A 147 9.669 13.185 -4.523 1.00 20.14 H new ATOM 0 HG2 LYS A 147 11.836 13.461 -5.408 1.00 41.34 H new ATOM 0 HG3 LYS A 147 12.021 13.787 -3.696 1.00 41.34 H new ATOM 0 HD2 LYS A 147 12.750 11.392 -3.369 1.00 72.43 H new ATOM 0 HD3 LYS A 147 12.671 11.166 -5.105 1.00 72.43 H new ATOM 0 HE2 LYS A 147 14.497 12.580 -5.518 1.00 61.43 H new ATOM 0 HE3 LYS A 147 14.290 13.463 -4.019 1.00 61.43 H new ATOM 0 HZ1 LYS A 147 16.210 12.013 -3.924 1.00 53.15 H new ATOM 0 HZ2 LYS A 147 15.047 11.509 -2.795 1.00 53.15 H new ATOM 0 HZ3 LYS A 147 15.247 10.653 -4.248 1.00 53.15 H new ATOM 2295 N THR A 148 8.842 14.198 -2.413 1.00 13.44 N ATOM 2296 CA THR A 148 8.472 15.462 -1.785 1.00 11.21 C ATOM 2297 C THR A 148 7.816 15.235 -0.426 1.00 42.04 C ATOM 2298 O THR A 148 7.790 16.132 0.416 1.00 15.54 O ATOM 2299 CB THR A 148 7.527 16.253 -2.692 1.00 32.41 C ATOM 2300 OG1 THR A 148 6.558 15.400 -3.277 1.00 54.14 O ATOM 2301 CG2 THR A 148 8.241 16.982 -3.811 1.00 50.30 C ATOM 0 H THR A 148 8.280 13.951 -3.227 1.00 13.44 H new ATOM 0 HA THR A 148 9.386 16.036 -1.632 1.00 11.21 H new ATOM 0 HB THR A 148 7.057 16.992 -2.044 1.00 32.41 H new ATOM 0 HG1 THR A 148 5.721 15.894 -3.405 1.00 54.14 H new ATOM 0 HG21 THR A 148 7.513 17.522 -4.416 1.00 50.30 H new ATOM 0 HG22 THR A 148 8.956 17.687 -3.388 1.00 50.30 H new ATOM 0 HG23 THR A 148 8.769 16.262 -4.436 1.00 50.30 H new ATOM 2309 N ARG A 149 7.284 14.034 -0.217 1.00 52.22 N ATOM 2310 CA ARG A 149 6.627 13.702 1.042 1.00 73.15 C ATOM 2311 C ARG A 149 5.393 14.573 1.251 1.00 43.55 C ATOM 2312 O ARG A 149 5.389 15.475 2.089 1.00 21.42 O ATOM 2313 CB ARG A 149 7.599 13.876 2.211 1.00 74.15 C ATOM 2314 CG ARG A 149 7.271 13.001 3.409 1.00 65.12 C ATOM 2315 CD ARG A 149 6.308 13.695 4.356 1.00 12.30 C ATOM 2316 NE ARG A 149 5.985 12.866 5.514 1.00 33.15 N ATOM 2317 CZ ARG A 149 6.842 12.598 6.497 1.00 72.12 C ATOM 2318 NH1 ARG A 149 8.073 13.094 6.467 1.00 72.14 N ATOM 2319 NH2 ARG A 149 6.468 11.832 7.513 1.00 32.54 N ATOM 0 H ARG A 149 7.295 13.277 -0.901 1.00 52.22 H new ATOM 0 HA ARG A 149 6.311 12.660 0.999 1.00 73.15 H new ATOM 0 HB2 ARG A 149 8.609 13.648 1.870 1.00 74.15 H new ATOM 0 HB3 ARG A 149 7.596 14.920 2.523 1.00 74.15 H new ATOM 0 HG2 ARG A 149 6.834 12.063 3.067 1.00 65.12 H new ATOM 0 HG3 ARG A 149 8.189 12.751 3.941 1.00 65.12 H new ATOM 0 HD2 ARG A 149 6.746 14.634 4.694 1.00 12.30 H new ATOM 0 HD3 ARG A 149 5.391 13.944 3.822 1.00 12.30 H new ATOM 0 HE ARG A 149 5.047 12.469 5.573 1.00 33.15 H new ATOM 0 HH11 ARG A 149 8.366 13.684 5.688 1.00 72.14 H new ATOM 0 HH12 ARG A 149 8.725 12.885 7.223 1.00 72.14 H new ATOM 0 HH21 ARG A 149 5.523 11.448 7.541 1.00 32.54 H new ATOM 0 HH22 ARG A 149 7.125 11.627 8.266 1.00 32.54 H new ATOM 2333 N GLN A 150 4.347 14.299 0.477 1.00 1.51 N ATOM 2334 CA GLN A 150 3.106 15.059 0.569 1.00 35.03 C ATOM 2335 C GLN A 150 1.913 14.129 0.770 1.00 22.14 C ATOM 2336 O GLN A 150 1.660 13.243 -0.044 1.00 31.13 O ATOM 2337 CB GLN A 150 2.910 15.898 -0.698 1.00 20.33 C ATOM 2338 CG GLN A 150 1.576 16.626 -0.754 1.00 53.12 C ATOM 2339 CD GLN A 150 1.713 18.054 -1.241 1.00 10.14 C ATOM 2340 OE1 GLN A 150 1.608 19.001 -0.463 1.00 21.13 O ATOM 2341 NE2 GLN A 150 1.947 18.214 -2.538 1.00 25.44 N ATOM 0 H GLN A 150 4.335 13.556 -0.221 1.00 1.51 H new ATOM 0 HA GLN A 150 3.173 15.722 1.431 1.00 35.03 H new ATOM 0 HB2 GLN A 150 3.715 16.630 -0.766 1.00 20.33 H new ATOM 0 HB3 GLN A 150 2.995 15.248 -1.569 1.00 20.33 H new ATOM 0 HG2 GLN A 150 0.898 16.084 -1.413 1.00 53.12 H new ATOM 0 HG3 GLN A 150 1.124 16.626 0.238 1.00 53.12 H new ATOM 0 HE21 GLN A 150 2.027 17.399 -3.146 1.00 25.44 H new ATOM 0 HE22 GLN A 150 2.047 19.152 -2.926 1.00 25.44 H new ATOM 2350 N GLY A 151 1.181 14.339 1.860 1.00 3.33 N ATOM 2351 CA GLY A 151 0.022 13.514 2.147 1.00 20.12 C ATOM 2352 C GLY A 151 0.369 12.045 2.315 1.00 75.35 C ATOM 2353 O GLY A 151 -0.510 11.186 2.253 1.00 61.31 O ATOM 0 H GLY A 151 1.370 15.066 2.550 1.00 3.33 H new ATOM 0 HA2 GLY A 151 -0.458 13.875 3.056 1.00 20.12 H new ATOM 0 HA3 GLY A 151 -0.703 13.621 1.340 1.00 20.12 H new ATOM 2357 N VAL A 152 1.650 11.755 2.531 1.00 51.51 N ATOM 2358 CA VAL A 152 2.104 10.379 2.710 1.00 45.14 C ATOM 2359 C VAL A 152 1.289 9.669 3.786 1.00 2.10 C ATOM 2360 O VAL A 152 0.704 8.614 3.541 1.00 65.12 O ATOM 2361 CB VAL A 152 3.595 10.326 3.092 1.00 72.24 C ATOM 2362 CG1 VAL A 152 4.094 8.889 3.106 1.00 23.03 C ATOM 2363 CG2 VAL A 152 4.420 11.175 2.137 1.00 4.10 C ATOM 0 H VAL A 152 2.391 12.454 2.586 1.00 51.51 H new ATOM 0 HA VAL A 152 1.963 9.871 1.756 1.00 45.14 H new ATOM 0 HB VAL A 152 3.708 10.734 4.096 1.00 72.24 H new ATOM 0 HG11 VAL A 152 5.149 8.873 3.378 1.00 23.03 H new ATOM 0 HG12 VAL A 152 3.523 8.313 3.834 1.00 23.03 H new ATOM 0 HG13 VAL A 152 3.968 8.450 2.116 1.00 23.03 H new ATOM 0 HG21 VAL A 152 5.471 11.126 2.422 1.00 4.10 H new ATOM 0 HG22 VAL A 152 4.301 10.799 1.121 1.00 4.10 H new ATOM 0 HG23 VAL A 152 4.080 12.209 2.183 1.00 4.10 H new ATOM 2373 N GLU A 153 1.252 10.257 4.977 1.00 52.53 N ATOM 2374 CA GLU A 153 0.505 9.684 6.089 1.00 64.41 C ATOM 2375 C GLU A 153 -0.986 9.630 5.768 1.00 25.33 C ATOM 2376 O GLU A 153 -1.711 8.779 6.283 1.00 4.15 O ATOM 2377 CB GLU A 153 0.736 10.501 7.362 1.00 73.04 C ATOM 2378 CG GLU A 153 2.205 10.683 7.709 1.00 72.05 C ATOM 2379 CD GLU A 153 2.701 12.088 7.428 1.00 31.51 C ATOM 2380 OE1 GLU A 153 2.450 12.984 8.262 1.00 50.33 O ATOM 2381 OE2 GLU A 153 3.341 12.292 6.375 1.00 41.11 O ATOM 0 H GLU A 153 1.731 11.130 5.196 1.00 52.53 H new ATOM 0 HA GLU A 153 0.862 8.667 6.250 1.00 64.41 H new ATOM 0 HB2 GLU A 153 0.275 11.482 7.243 1.00 73.04 H new ATOM 0 HB3 GLU A 153 0.232 10.011 8.195 1.00 73.04 H new ATOM 0 HG2 GLU A 153 2.357 10.452 8.763 1.00 72.05 H new ATOM 0 HG3 GLU A 153 2.800 9.971 7.138 1.00 72.05 H new ATOM 2388 N ASP A 154 -1.436 10.544 4.913 1.00 30.55 N ATOM 2389 CA ASP A 154 -2.840 10.600 4.522 1.00 20.52 C ATOM 2390 C ASP A 154 -3.287 9.279 3.903 1.00 24.01 C ATOM 2391 O ASP A 154 -4.317 8.722 4.279 1.00 24.45 O ATOM 2392 CB ASP A 154 -3.068 11.745 3.530 1.00 24.14 C ATOM 2393 CG ASP A 154 -4.172 12.685 3.976 1.00 73.41 C ATOM 2394 OD1 ASP A 154 -5.295 12.202 4.231 1.00 41.43 O ATOM 2395 OD2 ASP A 154 -3.913 13.903 4.069 1.00 11.10 O ATOM 0 H ASP A 154 -0.849 11.255 4.478 1.00 30.55 H new ATOM 0 HA ASP A 154 -3.434 10.779 5.418 1.00 20.52 H new ATOM 0 HB2 ASP A 154 -2.142 12.308 3.409 1.00 24.14 H new ATOM 0 HB3 ASP A 154 -3.319 11.331 2.553 1.00 24.14 H new ATOM 2400 N ALA A 155 -2.504 8.787 2.949 1.00 72.42 N ATOM 2401 CA ALA A 155 -2.815 7.534 2.272 1.00 43.04 C ATOM 2402 C ALA A 155 -2.907 6.377 3.263 1.00 44.14 C ATOM 2403 O ALA A 155 -3.836 5.571 3.205 1.00 50.00 O ATOM 2404 CB ALA A 155 -1.769 7.242 1.206 1.00 54.30 C ATOM 0 H ALA A 155 -1.648 9.238 2.627 1.00 72.42 H new ATOM 0 HA ALA A 155 -3.789 7.639 1.793 1.00 43.04 H new ATOM 0 HB1 ALA A 155 -2.011 6.304 0.706 1.00 54.30 H new ATOM 0 HB2 ALA A 155 -1.759 8.050 0.475 1.00 54.30 H new ATOM 0 HB3 ALA A 155 -0.787 7.162 1.672 1.00 54.30 H new ATOM 2410 N PHE A 156 -1.937 6.298 4.168 1.00 34.21 N ATOM 2411 CA PHE A 156 -1.910 5.236 5.169 1.00 13.13 C ATOM 2412 C PHE A 156 -3.142 5.295 6.067 1.00 33.34 C ATOM 2413 O PHE A 156 -3.839 4.296 6.245 1.00 44.51 O ATOM 2414 CB PHE A 156 -0.640 5.339 6.016 1.00 51.01 C ATOM 2415 CG PHE A 156 0.562 4.714 5.369 1.00 53.12 C ATOM 2416 CD1 PHE A 156 1.377 5.456 4.528 1.00 20.22 C ATOM 2417 CD2 PHE A 156 0.877 3.385 5.601 1.00 51.13 C ATOM 2418 CE1 PHE A 156 2.484 4.883 3.931 1.00 25.10 C ATOM 2419 CE2 PHE A 156 1.983 2.807 5.006 1.00 33.00 C ATOM 2420 CZ PHE A 156 2.787 3.557 4.170 1.00 15.42 C ATOM 0 H PHE A 156 -1.160 6.956 4.229 1.00 34.21 H new ATOM 0 HA PHE A 156 -1.915 4.280 4.646 1.00 13.13 H new ATOM 0 HB2 PHE A 156 -0.430 6.390 6.216 1.00 51.01 H new ATOM 0 HB3 PHE A 156 -0.815 4.860 6.979 1.00 51.01 H new ATOM 0 HD1 PHE A 156 1.144 6.493 4.337 1.00 20.22 H new ATOM 0 HD2 PHE A 156 0.252 2.794 6.254 1.00 51.13 H new ATOM 0 HE1 PHE A 156 3.111 5.472 3.278 1.00 25.10 H new ATOM 0 HE2 PHE A 156 2.218 1.770 5.195 1.00 33.00 H new ATOM 0 HZ PHE A 156 3.651 3.107 3.704 1.00 15.42 H new ATOM 2430 N TYR A 157 -3.405 6.470 6.631 1.00 72.03 N ATOM 2431 CA TYR A 157 -4.554 6.658 7.512 1.00 74.22 C ATOM 2432 C TYR A 157 -5.848 6.233 6.823 1.00 65.33 C ATOM 2433 O TYR A 157 -6.777 5.750 7.471 1.00 43.22 O ATOM 2434 CB TYR A 157 -4.651 8.120 7.951 1.00 20.44 C ATOM 2435 CG TYR A 157 -3.552 8.542 8.901 1.00 61.13 C ATOM 2436 CD1 TYR A 157 -3.207 7.751 9.990 1.00 40.12 C ATOM 2437 CD2 TYR A 157 -2.859 9.730 8.707 1.00 3.23 C ATOM 2438 CE1 TYR A 157 -2.203 8.133 10.859 1.00 44.41 C ATOM 2439 CE2 TYR A 157 -1.853 10.119 9.572 1.00 62.24 C ATOM 2440 CZ TYR A 157 -1.530 9.317 10.646 1.00 22.20 C ATOM 2441 OH TYR A 157 -0.529 9.701 11.510 1.00 64.53 O ATOM 0 H TYR A 157 -2.838 7.307 6.494 1.00 72.03 H new ATOM 0 HA TYR A 157 -4.412 6.030 8.391 1.00 74.22 H new ATOM 0 HB2 TYR A 157 -4.621 8.758 7.068 1.00 20.44 H new ATOM 0 HB3 TYR A 157 -5.616 8.283 8.430 1.00 20.44 H new ATOM 0 HD1 TYR A 157 -3.732 6.823 10.160 1.00 40.12 H new ATOM 0 HD2 TYR A 157 -3.110 10.360 7.867 1.00 3.23 H new ATOM 0 HE1 TYR A 157 -1.947 7.507 11.701 1.00 44.41 H new ATOM 0 HE2 TYR A 157 -1.323 11.046 9.407 1.00 62.24 H new ATOM 0 HH TYR A 157 -0.156 10.559 11.218 1.00 64.53 H new ATOM 2451 N THR A 158 -5.902 6.415 5.507 1.00 64.04 N ATOM 2452 CA THR A 158 -7.079 6.049 4.732 1.00 42.10 C ATOM 2453 C THR A 158 -7.405 4.569 4.904 1.00 64.34 C ATOM 2454 O THR A 158 -8.564 4.194 5.079 1.00 4.52 O ATOM 2455 CB THR A 158 -6.856 6.367 3.254 1.00 34.33 C ATOM 2456 OG1 THR A 158 -6.187 7.606 3.102 1.00 10.23 O ATOM 2457 CG2 THR A 158 -8.140 6.440 2.460 1.00 51.34 C ATOM 0 H THR A 158 -5.142 6.814 4.956 1.00 64.04 H new ATOM 0 HA THR A 158 -7.924 6.632 5.099 1.00 42.10 H new ATOM 0 HB THR A 158 -6.254 5.544 2.869 1.00 34.33 H new ATOM 0 HG1 THR A 158 -5.271 7.527 3.440 1.00 10.23 H new ATOM 0 HG21 THR A 158 -7.912 6.669 1.419 1.00 51.34 H new ATOM 0 HG22 THR A 158 -8.657 5.482 2.516 1.00 51.34 H new ATOM 0 HG23 THR A 158 -8.778 7.222 2.872 1.00 51.34 H new ATOM 2465 N LEU A 159 -6.373 3.732 4.855 1.00 44.02 N ATOM 2466 CA LEU A 159 -6.547 2.292 5.009 1.00 33.51 C ATOM 2467 C LEU A 159 -7.188 1.968 6.355 1.00 12.14 C ATOM 2468 O LEU A 159 -8.078 1.123 6.444 1.00 53.20 O ATOM 2469 CB LEU A 159 -5.198 1.579 4.884 1.00 52.40 C ATOM 2470 CG LEU A 159 -5.227 0.076 5.171 1.00 73.31 C ATOM 2471 CD1 LEU A 159 -6.269 -0.613 4.303 1.00 61.01 C ATOM 2472 CD2 LEU A 159 -3.853 -0.536 4.944 1.00 11.11 C ATOM 0 H LEU A 159 -5.407 4.027 4.710 1.00 44.02 H new ATOM 0 HA LEU A 159 -7.208 1.940 4.217 1.00 33.51 H new ATOM 0 HB2 LEU A 159 -4.816 1.733 3.875 1.00 52.40 H new ATOM 0 HB3 LEU A 159 -4.491 2.050 5.568 1.00 52.40 H new ATOM 0 HG LEU A 159 -5.500 -0.070 6.216 1.00 73.31 H new ATOM 0 HD11 LEU A 159 -6.275 -1.681 4.521 1.00 61.01 H new ATOM 0 HD12 LEU A 159 -7.253 -0.194 4.514 1.00 61.01 H new ATOM 0 HD13 LEU A 159 -6.026 -0.459 3.252 1.00 61.01 H new ATOM 0 HD21 LEU A 159 -3.892 -1.605 5.153 1.00 11.11 H new ATOM 0 HD22 LEU A 159 -3.551 -0.379 3.908 1.00 11.11 H new ATOM 0 HD23 LEU A 159 -3.130 -0.063 5.608 1.00 11.11 H new ATOM 2484 N VAL A 160 -6.729 2.651 7.399 1.00 53.45 N ATOM 2485 CA VAL A 160 -7.252 2.446 8.744 1.00 14.35 C ATOM 2486 C VAL A 160 -8.775 2.547 8.767 1.00 12.43 C ATOM 2487 O VAL A 160 -9.463 1.620 9.195 1.00 52.30 O ATOM 2488 CB VAL A 160 -6.666 3.474 9.732 1.00 41.21 C ATOM 2489 CG1 VAL A 160 -7.140 3.192 11.149 1.00 5.04 C ATOM 2490 CG2 VAL A 160 -5.145 3.478 9.663 1.00 10.32 C ATOM 0 H VAL A 160 -5.993 3.354 7.338 1.00 53.45 H new ATOM 0 HA VAL A 160 -6.955 1.443 9.050 1.00 14.35 H new ATOM 0 HB VAL A 160 -7.024 4.463 9.446 1.00 41.21 H new ATOM 0 HG11 VAL A 160 -6.714 3.930 11.829 1.00 5.04 H new ATOM 0 HG12 VAL A 160 -8.228 3.249 11.187 1.00 5.04 H new ATOM 0 HG13 VAL A 160 -6.818 2.194 11.448 1.00 5.04 H new ATOM 0 HG21 VAL A 160 -4.751 4.210 10.368 1.00 10.32 H new ATOM 0 HG22 VAL A 160 -4.767 2.488 9.918 1.00 10.32 H new ATOM 0 HG23 VAL A 160 -4.827 3.739 8.653 1.00 10.32 H new ATOM 2500 N ARG A 161 -9.294 3.679 8.304 1.00 55.13 N ATOM 2501 CA ARG A 161 -10.735 3.906 8.271 1.00 42.15 C ATOM 2502 C ARG A 161 -11.442 2.841 7.439 1.00 1.34 C ATOM 2503 O ARG A 161 -12.563 2.439 7.751 1.00 3.25 O ATOM 2504 CB ARG A 161 -11.039 5.295 7.706 1.00 71.54 C ATOM 2505 CG ARG A 161 -10.281 6.415 8.403 1.00 65.11 C ATOM 2506 CD ARG A 161 -9.686 7.394 7.403 1.00 42.21 C ATOM 2507 NE ARG A 161 -9.725 8.770 7.894 1.00 44.34 N ATOM 2508 CZ ARG A 161 -10.811 9.540 7.857 1.00 1.35 C ATOM 2509 NH1 ARG A 161 -11.948 9.073 7.356 1.00 75.21 N ATOM 2510 NH2 ARG A 161 -10.759 10.780 8.324 1.00 22.32 N ATOM 0 H ARG A 161 -8.738 4.455 7.946 1.00 55.13 H new ATOM 0 HA ARG A 161 -11.108 3.844 9.293 1.00 42.15 H new ATOM 0 HB2 ARG A 161 -10.794 5.308 6.644 1.00 71.54 H new ATOM 0 HB3 ARG A 161 -12.109 5.485 7.789 1.00 71.54 H new ATOM 0 HG2 ARG A 161 -10.953 6.946 9.077 1.00 65.11 H new ATOM 0 HG3 ARG A 161 -9.485 5.991 9.015 1.00 65.11 H new ATOM 0 HD2 ARG A 161 -8.654 7.114 7.191 1.00 42.21 H new ATOM 0 HD3 ARG A 161 -10.233 7.329 6.463 1.00 42.21 H new ATOM 0 HE ARG A 161 -8.870 9.164 8.288 1.00 44.34 H new ATOM 0 HH11 ARG A 161 -11.993 8.119 6.997 1.00 75.21 H new ATOM 0 HH12 ARG A 161 -12.776 9.668 7.330 1.00 75.21 H new ATOM 0 HH21 ARG A 161 -9.888 11.143 8.711 1.00 22.32 H new ATOM 0 HH22 ARG A 161 -11.590 11.371 8.296 1.00 22.32 H new ATOM 2524 N GLU A 162 -10.783 2.389 6.377 1.00 74.12 N ATOM 2525 CA GLU A 162 -11.353 1.373 5.499 1.00 65.22 C ATOM 2526 C GLU A 162 -11.467 0.030 6.215 1.00 43.14 C ATOM 2527 O GLU A 162 -12.519 -0.607 6.193 1.00 11.34 O ATOM 2528 CB GLU A 162 -10.501 1.224 4.236 1.00 54.22 C ATOM 2529 CG GLU A 162 -11.089 1.921 3.021 1.00 64.01 C ATOM 2530 CD GLU A 162 -12.301 1.199 2.465 1.00 41.55 C ATOM 2531 OE1 GLU A 162 -12.303 -0.050 2.473 1.00 21.22 O ATOM 2532 OE2 GLU A 162 -13.248 1.882 2.023 1.00 72.04 O ATOM 0 H GLU A 162 -9.854 2.710 6.104 1.00 74.12 H new ATOM 0 HA GLU A 162 -12.355 1.696 5.217 1.00 65.22 H new ATOM 0 HB2 GLU A 162 -9.506 1.626 4.429 1.00 54.22 H new ATOM 0 HB3 GLU A 162 -10.379 0.164 4.013 1.00 54.22 H new ATOM 0 HG2 GLU A 162 -11.369 2.939 3.291 1.00 64.01 H new ATOM 0 HG3 GLU A 162 -10.327 1.995 2.245 1.00 64.01 H new ATOM 2539 N ILE A 163 -10.379 -0.396 6.848 1.00 50.43 N ATOM 2540 CA ILE A 163 -10.362 -1.658 7.565 1.00 3.30 C ATOM 2541 C ILE A 163 -11.472 -1.712 8.613 1.00 21.12 C ATOM 2542 O ILE A 163 -12.061 -2.766 8.854 1.00 0.54 O ATOM 2543 CB ILE A 163 -9.002 -1.880 8.238 1.00 14.41 C ATOM 2544 CG1 ILE A 163 -7.907 -1.921 7.177 1.00 52.11 C ATOM 2545 CG2 ILE A 163 -9.008 -3.164 9.047 1.00 42.24 C ATOM 2546 CD1 ILE A 163 -6.521 -1.789 7.749 1.00 5.14 C ATOM 0 H ILE A 163 -9.498 0.118 6.877 1.00 50.43 H new ATOM 0 HA ILE A 163 -10.533 -2.452 6.838 1.00 3.30 H new ATOM 0 HB ILE A 163 -8.806 -1.053 8.921 1.00 14.41 H new ATOM 0 HG12 ILE A 163 -7.978 -2.859 6.627 1.00 52.11 H new ATOM 0 HG13 ILE A 163 -8.075 -1.118 6.460 1.00 52.11 H new ATOM 0 HG21 ILE A 163 -8.034 -3.303 9.516 1.00 42.24 H new ATOM 0 HG22 ILE A 163 -9.777 -3.105 9.817 1.00 42.24 H new ATOM 0 HG23 ILE A 163 -9.217 -4.008 8.389 1.00 42.24 H new ATOM 0 HD11 ILE A 163 -5.789 -1.826 6.942 1.00 5.14 H new ATOM 0 HD12 ILE A 163 -6.433 -0.838 8.275 1.00 5.14 H new ATOM 0 HD13 ILE A 163 -6.335 -2.607 8.445 1.00 5.14 H new ATOM 2558 N ARG A 164 -11.755 -0.567 9.226 1.00 42.32 N ATOM 2559 CA ARG A 164 -12.798 -0.482 10.241 1.00 73.35 C ATOM 2560 C ARG A 164 -14.152 -0.875 9.657 1.00 52.30 C ATOM 2561 O ARG A 164 -15.011 -1.407 10.360 1.00 62.24 O ATOM 2562 CB ARG A 164 -12.869 0.935 10.813 1.00 32.30 C ATOM 2563 CG ARG A 164 -11.596 1.370 11.521 1.00 52.24 C ATOM 2564 CD ARG A 164 -11.893 2.316 12.675 1.00 41.41 C ATOM 2565 NE ARG A 164 -11.298 3.634 12.468 1.00 54.32 N ATOM 2566 CZ ARG A 164 -11.818 4.566 11.672 1.00 62.22 C ATOM 2567 NH1 ARG A 164 -12.942 4.329 11.008 1.00 14.13 N ATOM 2568 NH2 ARG A 164 -11.212 5.738 11.541 1.00 52.34 N ATOM 0 H ARG A 164 -11.277 0.314 9.037 1.00 42.32 H new ATOM 0 HA ARG A 164 -12.550 -1.177 11.043 1.00 73.35 H new ATOM 0 HB2 ARG A 164 -13.082 1.634 10.004 1.00 32.30 H new ATOM 0 HB3 ARG A 164 -13.702 0.994 11.513 1.00 32.30 H new ATOM 0 HG2 ARG A 164 -11.069 0.492 11.895 1.00 52.24 H new ATOM 0 HG3 ARG A 164 -10.932 1.861 10.809 1.00 52.24 H new ATOM 0 HD2 ARG A 164 -12.972 2.419 12.791 1.00 41.41 H new ATOM 0 HD3 ARG A 164 -11.512 1.888 13.602 1.00 41.41 H new ATOM 0 HE ARG A 164 -10.433 3.853 12.962 1.00 54.32 H new ATOM 0 HH11 ARG A 164 -13.412 3.429 11.106 1.00 14.13 H new ATOM 0 HH12 ARG A 164 -13.336 5.047 10.400 1.00 14.13 H new ATOM 0 HH21 ARG A 164 -10.348 5.925 12.050 1.00 52.34 H new ATOM 0 HH22 ARG A 164 -11.610 6.452 10.931 1.00 52.34 H new ATOM 2582 N GLN A 165 -14.333 -0.611 8.367 1.00 61.54 N ATOM 2583 CA GLN A 165 -15.581 -0.937 7.688 1.00 72.31 C ATOM 2584 C GLN A 165 -15.401 -2.128 6.752 1.00 72.03 C ATOM 2585 O GLN A 165 -16.110 -2.258 5.754 1.00 50.21 O ATOM 2586 CB GLN A 165 -16.089 0.267 6.902 1.00 70.11 C ATOM 2587 CG GLN A 165 -15.007 0.927 6.082 1.00 15.33 C ATOM 2588 CD GLN A 165 -15.552 1.935 5.089 1.00 20.43 C ATOM 2589 OE1 GLN A 165 -15.452 3.144 5.296 1.00 51.32 O ATOM 2590 NE2 GLN A 165 -16.136 1.440 4.003 1.00 32.15 N ATOM 0 H GLN A 165 -13.631 -0.172 7.771 1.00 61.54 H new ATOM 0 HA GLN A 165 -16.316 -1.203 8.448 1.00 72.31 H new ATOM 0 HB2 GLN A 165 -16.897 -0.050 6.242 1.00 70.11 H new ATOM 0 HB3 GLN A 165 -16.510 0.996 7.594 1.00 70.11 H new ATOM 0 HG2 GLN A 165 -14.305 1.426 6.750 1.00 15.33 H new ATOM 0 HG3 GLN A 165 -14.447 0.161 5.545 1.00 15.33 H new ATOM 0 HE21 GLN A 165 -16.197 0.430 3.872 1.00 32.15 H new ATOM 0 HE22 GLN A 165 -16.523 2.070 3.300 1.00 32.15 H new ATOM 2599 N HIS A 166 -14.447 -2.996 7.078 1.00 23.45 N ATOM 2600 CA HIS A 166 -14.176 -4.174 6.262 1.00 52.42 C ATOM 2601 C HIS A 166 -15.410 -5.067 6.165 1.00 34.22 C ATOM 2602 O HIS A 166 -16.031 -5.334 7.215 1.00 37.74 O ATOM 2603 CB HIS A 166 -12.998 -4.964 6.842 1.00 44.55 C ATOM 2604 CG HIS A 166 -13.310 -5.658 8.133 1.00 43.41 C ATOM 2605 ND1 HIS A 166 -13.539 -4.986 9.315 1.00 54.44 N ATOM 2606 CD2 HIS A 166 -13.430 -6.976 8.422 1.00 65.24 C ATOM 2607 CE1 HIS A 166 -13.786 -5.859 10.275 1.00 13.31 C ATOM 2608 NE2 HIS A 166 -13.726 -7.073 9.759 1.00 55.44 N ATOM 2609 OXT HIS A 166 -15.745 -5.490 5.039 1.00 75.44 O ATOM 0 H HIS A 166 -13.850 -2.905 7.900 1.00 23.45 H new ATOM 0 HA HIS A 166 -13.917 -3.838 5.258 1.00 52.42 H new ATOM 0 HB2 HIS A 166 -12.675 -5.705 6.111 1.00 44.55 H new ATOM 0 HB3 HIS A 166 -12.160 -4.285 6.999 1.00 44.55 H new ATOM 0 HD1 HIS A 166 -13.521 -3.973 9.430 1.00 54.44 H new ATOM 0 HD2 HIS A 166 -13.314 -7.797 7.730 1.00 65.24 H new ATOM 0 HE1 HIS A 166 -14.000 -5.621 11.306 1.00 13.31 H new