USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 642 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 53 GLN :FLIP amide:sc= 0.235 X(o=-0.044,f=0.42) USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= 0.252 F(o=-1.3!,f=0.42) USER MOD Set 1.3: A 57 HIS :FLIP no HD1:sc= -0.0722 F(o=-0.57,f=0.42) USER MOD Set 2.1: A 43 ASN :FLIP amide:sc= -3.66! C(o=-5.2!,f=-3.5!) USER MOD Set 2.2: A 59 SER OG : rot 86:sc= 0.481 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -0.325 USER MOD Set 3.1: A 14 ASN : amide:sc= 1.19 K(o=3.1,f=0.47) USER MOD Set 3.2: A 18 THR OG1 : rot -88:sc= 1.95 USER MOD Set 4.1: A 7 SER OG : rot 101:sc= 1.16 USER MOD Set 4.2: A 23 CYS SG : rot 67:sc= -2.8! USER MOD Set 5.1: A 2 SER OG : rot 23:sc= -1.52! USER MOD Set 5.2: A 91 ASN :FLIP amide:sc= -0.0542 F(o=-3.7!,f=-1.6) USER MOD Single : A 3 TYR OH : rot 27:sc= -0.267 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 1.3 K(o=1.3,f=-0.79) USER MOD Single : A 13 THR OG1 : rot 166:sc= 1.24 USER MOD Single : A 25 ASN : amide:sc= -1.22 K(o=-1.2,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 0.423 K(o=0.42,f=-5.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 166:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot -38:sc= 0.212 USER MOD Single : A 40 CYS SG : rot -145:sc= 0.236 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.13) USER MOD Single : A 72 THR OG1 : rot 15:sc= 0.714 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 0.486 (180deg=0.322) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.636 F(o=-3.8!,f=-0.64) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.518 K(o=-0.52,f=-5.9!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0363 F(o=-1,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.007 12.542 -0.996 1.00 0.00 N ATOM 17 CA SER A 2 2.283 11.246 -0.403 1.00 0.00 C ATOM 18 C SER A 2 3.787 11.047 -0.255 1.00 0.00 C ATOM 19 O SER A 2 4.562 11.918 -0.644 1.00 0.00 O ATOM 20 CB SER A 2 1.681 10.128 -1.258 1.00 0.00 C ATOM 21 OG SER A 2 0.308 10.369 -1.504 1.00 0.00 O ATOM 0 HA SER A 2 1.825 11.210 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.218 10.058 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.802 9.171 -0.751 1.00 0.00 H new ATOM 0 HG SER A 2 0.122 11.327 -1.410 1.00 0.00 H new ATOM 26 N TYR A 3 4.198 9.922 0.316 1.00 0.00 N ATOM 27 CA TYR A 3 5.624 9.626 0.475 1.00 0.00 C ATOM 28 C TYR A 3 6.323 9.635 -0.884 1.00 0.00 C ATOM 29 O TYR A 3 7.453 10.104 -1.014 1.00 0.00 O ATOM 30 CB TYR A 3 5.833 8.261 1.155 1.00 0.00 C ATOM 31 CG TYR A 3 5.468 7.065 0.294 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.141 6.721 0.073 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.455 6.286 -0.300 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.806 5.638 -0.711 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.127 5.198 -1.087 1.00 0.00 C ATOM 36 CZ TYR A 3 4.800 4.879 -1.288 1.00 0.00 C ATOM 37 OH TYR A 3 4.466 3.803 -2.075 1.00 0.00 O ATOM 0 H TYR A 3 3.572 9.201 0.676 1.00 0.00 H new ATOM 0 HA TYR A 3 6.057 10.400 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.878 8.173 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.239 8.230 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.358 7.312 0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.494 6.535 -0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.768 5.386 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.904 4.602 -1.541 1.00 0.00 H new ATOM 0 HH TYR A 3 3.582 3.949 -2.471 1.00 0.00 H new ATOM 46 N ALA A 4 5.610 9.145 -1.898 1.00 0.00 N ATOM 47 CA ALA A 4 6.124 9.054 -3.263 1.00 0.00 C ATOM 48 C ALA A 4 6.548 10.411 -3.820 1.00 0.00 C ATOM 49 O ALA A 4 7.303 10.477 -4.790 1.00 0.00 O ATOM 50 CB ALA A 4 5.086 8.410 -4.163 1.00 0.00 C ATOM 0 H ALA A 4 4.656 8.799 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 4 7.019 8.432 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.475 8.345 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.858 7.409 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.178 9.013 -4.160 1.00 0.00 H new ATOM 56 N ASP A 5 6.066 11.488 -3.210 1.00 0.00 N ATOM 57 CA ASP A 5 6.415 12.831 -3.641 1.00 0.00 C ATOM 58 C ASP A 5 7.913 13.063 -3.487 1.00 0.00 C ATOM 59 O ASP A 5 8.506 13.870 -4.205 1.00 0.00 O ATOM 60 CB ASP A 5 5.636 13.858 -2.827 1.00 0.00 C ATOM 61 CG ASP A 5 4.350 14.277 -3.501 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.401 15.163 -4.379 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.281 13.725 -3.161 1.00 0.00 O ATOM 0 H ASP A 5 5.430 11.454 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 5 6.153 12.942 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.409 13.442 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.260 14.737 -2.664 1.00 0.00 H new ATOM 67 N SER A 6 8.509 12.341 -2.549 1.00 0.00 N ATOM 68 CA SER A 6 9.935 12.431 -2.290 1.00 0.00 C ATOM 69 C SER A 6 10.525 11.029 -2.147 1.00 0.00 C ATOM 70 O SER A 6 11.492 10.817 -1.418 1.00 0.00 O ATOM 71 CB SER A 6 10.194 13.256 -1.024 1.00 0.00 C ATOM 72 OG SER A 6 9.597 14.540 -1.119 1.00 0.00 O ATOM 0 H SER A 6 8.018 11.679 -1.949 1.00 0.00 H new ATOM 0 HA SER A 6 10.418 12.931 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.796 12.730 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.268 13.362 -0.868 1.00 0.00 H new ATOM 0 HG SER A 6 9.776 15.045 -0.299 1.00 0.00 H new ATOM 77 N SER A 7 9.923 10.070 -2.842 1.00 0.00 N ATOM 78 CA SER A 7 10.384 8.691 -2.801 1.00 0.00 C ATOM 79 C SER A 7 10.327 8.074 -4.194 1.00 0.00 C ATOM 80 O SER A 7 9.556 8.522 -5.045 1.00 0.00 O ATOM 81 CB SER A 7 9.541 7.866 -1.827 1.00 0.00 C ATOM 82 OG SER A 7 9.516 8.458 -0.538 1.00 0.00 O ATOM 0 H SER A 7 9.113 10.225 -3.442 1.00 0.00 H new ATOM 0 HA SER A 7 11.417 8.686 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.524 7.777 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.945 6.856 -1.758 1.00 0.00 H new ATOM 0 HG SER A 7 8.670 8.937 -0.414 1.00 0.00 H new ATOM 87 N ARG A 8 11.142 7.057 -4.425 1.00 0.00 N ATOM 88 CA ARG A 8 11.194 6.385 -5.720 1.00 0.00 C ATOM 89 C ARG A 8 11.384 4.883 -5.545 1.00 0.00 C ATOM 90 O ARG A 8 11.664 4.413 -4.439 1.00 0.00 O ATOM 91 CB ARG A 8 12.349 6.933 -6.562 1.00 0.00 C ATOM 92 CG ARG A 8 13.696 6.790 -5.875 1.00 0.00 C ATOM 93 CD ARG A 8 14.863 6.901 -6.842 1.00 0.00 C ATOM 94 NE ARG A 8 14.851 8.143 -7.609 1.00 0.00 N ATOM 95 CZ ARG A 8 15.955 8.786 -7.987 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.153 8.300 -7.688 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.864 9.914 -8.674 1.00 0.00 N ATOM 0 H ARG A 8 11.782 6.674 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 8 10.247 6.573 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.376 6.410 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.167 7.985 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.791 7.558 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.740 5.826 -5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.797 6.833 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.840 6.055 -7.529 1.00 0.00 H new ATOM 0 HE ARG A 8 13.948 8.540 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.234 7.428 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.993 8.798 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.948 10.292 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.710 10.405 -8.963 1.00 0.00 H new ATOM 108 N ASN A 9 11.235 4.147 -6.647 1.00 0.00 N ATOM 109 CA ASN A 9 11.413 2.697 -6.658 1.00 0.00 C ATOM 110 C ASN A 9 10.557 2.016 -5.596 1.00 0.00 C ATOM 111 O ASN A 9 11.070 1.311 -4.725 1.00 0.00 O ATOM 112 CB ASN A 9 12.897 2.355 -6.468 1.00 0.00 C ATOM 113 CG ASN A 9 13.729 2.720 -7.684 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.290 2.560 -8.825 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.922 3.251 -7.456 1.00 0.00 N ATOM 0 H ASN A 9 10.988 4.540 -7.555 1.00 0.00 H new ATOM 0 HA ASN A 9 11.082 2.320 -7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.281 2.883 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.000 1.289 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.509 3.542 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.253 3.369 -6.499 1.00 0.00 H new ATOM 121 N ALA A 10 9.253 2.235 -5.675 1.00 0.00 N ATOM 122 CA ALA A 10 8.318 1.644 -4.730 1.00 0.00 C ATOM 123 C ALA A 10 7.870 0.263 -5.201 1.00 0.00 C ATOM 124 O ALA A 10 7.323 0.113 -6.296 1.00 0.00 O ATOM 125 CB ALA A 10 7.116 2.556 -4.538 1.00 0.00 C ATOM 0 H ALA A 10 8.817 2.821 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 10 8.826 1.528 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.424 2.102 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.449 3.520 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.612 2.700 -5.494 1.00 0.00 H new ATOM 131 N VAL A 11 8.115 -0.739 -4.372 1.00 0.00 N ATOM 132 CA VAL A 11 7.742 -2.114 -4.687 1.00 0.00 C ATOM 133 C VAL A 11 6.935 -2.728 -3.547 1.00 0.00 C ATOM 134 O VAL A 11 6.816 -2.139 -2.470 1.00 0.00 O ATOM 135 CB VAL A 11 8.983 -2.997 -4.956 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.727 -2.526 -6.195 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.911 -3.010 -3.747 1.00 0.00 C ATOM 0 H VAL A 11 8.574 -0.627 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 11 7.135 -2.078 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 11 8.637 -4.015 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.595 -3.163 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.065 -2.580 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.055 -1.496 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.777 -3.637 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.243 -1.994 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.378 -3.408 -2.883 1.00 0.00 H new ATOM 147 N LEU A 12 6.401 -3.921 -3.784 1.00 0.00 N ATOM 148 CA LEU A 12 5.605 -4.616 -2.781 1.00 0.00 C ATOM 149 C LEU A 12 6.406 -5.748 -2.158 1.00 0.00 C ATOM 150 O LEU A 12 6.820 -6.681 -2.851 1.00 0.00 O ATOM 151 CB LEU A 12 4.321 -5.200 -3.394 1.00 0.00 C ATOM 152 CG LEU A 12 3.215 -4.200 -3.750 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.889 -3.309 -2.563 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.594 -3.374 -4.969 1.00 0.00 C ATOM 0 H LEU A 12 6.506 -4.427 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 12 5.336 -3.886 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.592 -5.745 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.910 -5.928 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 12 2.318 -4.766 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.102 -2.608 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.551 -3.924 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.780 -2.756 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.791 -2.674 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.510 -2.821 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.753 -4.035 -5.821 1.00 0.00 H new ATOM 165 N THR A 13 6.624 -5.665 -0.856 1.00 0.00 N ATOM 166 CA THR A 13 7.372 -6.688 -0.147 1.00 0.00 C ATOM 167 C THR A 13 6.501 -7.372 0.902 1.00 0.00 C ATOM 168 O THR A 13 5.393 -6.905 1.207 1.00 0.00 O ATOM 169 CB THR A 13 8.628 -6.096 0.524 1.00 0.00 C ATOM 170 OG1 THR A 13 8.290 -4.905 1.251 1.00 0.00 O ATOM 171 CG2 THR A 13 9.695 -5.781 -0.514 1.00 0.00 C ATOM 0 H THR A 13 6.293 -4.899 -0.269 1.00 0.00 H new ATOM 0 HA THR A 13 7.687 -7.429 -0.882 1.00 0.00 H new ATOM 0 HB THR A 13 9.024 -6.837 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.027 -4.668 1.852 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.572 -5.364 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.974 -6.695 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.304 -5.057 -1.229 1.00 0.00 H new ATOM 179 N ASN A 14 6.991 -8.503 1.414 1.00 0.00 N ATOM 180 CA ASN A 14 6.290 -9.276 2.441 1.00 0.00 C ATOM 181 C ASN A 14 4.947 -9.793 1.932 1.00 0.00 C ATOM 182 O ASN A 14 4.018 -10.015 2.709 1.00 0.00 O ATOM 183 CB ASN A 14 6.092 -8.435 3.709 1.00 0.00 C ATOM 184 CG ASN A 14 7.377 -8.237 4.495 1.00 0.00 C ATOM 185 OD1 ASN A 14 8.248 -9.111 4.534 1.00 0.00 O ATOM 186 ND2 ASN A 14 7.507 -7.083 5.124 1.00 0.00 N ATOM 0 H ASN A 14 7.883 -8.908 1.129 1.00 0.00 H new ATOM 0 HA ASN A 14 6.910 -10.139 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.687 -7.461 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.353 -8.918 4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.349 -6.889 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.765 -6.385 5.068 1.00 0.00 H new ATOM 192 N GLY A 15 4.847 -9.983 0.622 1.00 0.00 N ATOM 193 CA GLY A 15 3.617 -10.478 0.036 1.00 0.00 C ATOM 194 C GLY A 15 2.801 -9.380 -0.610 1.00 0.00 C ATOM 195 O GLY A 15 1.983 -9.641 -1.488 1.00 0.00 O ATOM 0 H GLY A 15 5.597 -9.803 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.853 -11.237 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.020 -10.964 0.808 1.00 0.00 H new ATOM 199 N GLY A 16 3.029 -8.150 -0.178 1.00 0.00 N ATOM 200 CA GLY A 16 2.301 -7.024 -0.731 1.00 0.00 C ATOM 201 C GLY A 16 1.597 -6.225 0.340 1.00 0.00 C ATOM 202 O GLY A 16 0.642 -5.503 0.072 1.00 0.00 O ATOM 0 H GLY A 16 3.706 -7.909 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.991 -6.376 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.569 -7.385 -1.454 1.00 0.00 H new ATOM 206 N ARG A 17 2.078 -6.365 1.561 1.00 0.00 N ATOM 207 CA ARG A 17 1.504 -5.662 2.697 1.00 0.00 C ATOM 208 C ARG A 17 2.426 -4.533 3.131 1.00 0.00 C ATOM 209 O ARG A 17 1.999 -3.576 3.779 1.00 0.00 O ATOM 210 CB ARG A 17 1.295 -6.632 3.864 1.00 0.00 C ATOM 211 CG ARG A 17 2.584 -7.266 4.360 1.00 0.00 C ATOM 212 CD ARG A 17 2.328 -8.283 5.454 1.00 0.00 C ATOM 213 NE ARG A 17 1.802 -7.675 6.672 1.00 0.00 N ATOM 214 CZ ARG A 17 1.915 -8.208 7.886 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.611 -9.322 8.075 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.333 -7.610 8.914 1.00 0.00 N ATOM 0 H ARG A 17 2.871 -6.963 1.794 1.00 0.00 H new ATOM 0 HA ARG A 17 0.541 -5.245 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.820 -6.100 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.608 -7.419 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.095 -7.749 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.250 -6.489 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.623 -9.031 5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.257 -8.805 5.684 1.00 0.00 H new ATOM 0 HE ARG A 17 1.316 -6.782 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.066 -9.779 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.691 -9.721 9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.804 -6.749 8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.413 -8.010 9.849 1.00 0.00 H new ATOM 227 N THR A 18 3.687 -4.657 2.760 1.00 0.00 N ATOM 228 CA THR A 18 4.690 -3.679 3.116 1.00 0.00 C ATOM 229 C THR A 18 5.176 -2.923 1.884 1.00 0.00 C ATOM 230 O THR A 18 5.411 -3.518 0.829 1.00 0.00 O ATOM 231 CB THR A 18 5.884 -4.372 3.793 1.00 0.00 C ATOM 232 OG1 THR A 18 5.413 -5.381 4.697 1.00 0.00 O ATOM 233 CG2 THR A 18 6.735 -3.367 4.549 1.00 0.00 C ATOM 0 H THR A 18 4.041 -5.437 2.205 1.00 0.00 H new ATOM 0 HA THR A 18 4.238 -2.968 3.807 1.00 0.00 H new ATOM 0 HB THR A 18 6.497 -4.833 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.244 -4.980 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.573 -3.881 5.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.113 -2.616 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.131 -2.882 5.315 1.00 0.00 H new ATOM 241 N LEU A 19 5.302 -1.613 2.022 1.00 0.00 N ATOM 242 CA LEU A 19 5.774 -0.769 0.937 1.00 0.00 C ATOM 243 C LEU A 19 7.254 -0.502 1.090 1.00 0.00 C ATOM 244 O LEU A 19 7.681 0.096 2.076 1.00 0.00 O ATOM 245 CB LEU A 19 5.044 0.575 0.911 1.00 0.00 C ATOM 246 CG LEU A 19 3.626 0.560 0.352 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.065 1.976 0.331 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.607 -0.052 -1.042 1.00 0.00 C ATOM 0 H LEU A 19 5.082 -1.109 2.881 1.00 0.00 H new ATOM 0 HA LEU A 19 5.576 -1.301 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.007 0.965 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.637 1.276 0.323 1.00 0.00 H new ATOM 0 HG LEU A 19 2.997 -0.055 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.051 1.960 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.048 2.376 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.693 2.607 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.586 -0.054 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.242 0.535 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.979 -1.075 -0.995 1.00 0.00 H new ATOM 259 N ARG A 20 8.033 -0.957 0.129 1.00 0.00 N ATOM 260 CA ARG A 20 9.461 -0.726 0.157 1.00 0.00 C ATOM 261 C ARG A 20 9.824 0.260 -0.939 1.00 0.00 C ATOM 262 O ARG A 20 9.567 0.010 -2.117 1.00 0.00 O ATOM 263 CB ARG A 20 10.231 -2.028 -0.040 1.00 0.00 C ATOM 264 CG ARG A 20 11.739 -1.833 -0.055 1.00 0.00 C ATOM 265 CD ARG A 20 12.481 -3.140 -0.276 1.00 0.00 C ATOM 266 NE ARG A 20 12.297 -4.075 0.832 1.00 0.00 N ATOM 267 CZ ARG A 20 13.163 -5.033 1.155 1.00 0.00 C ATOM 268 NH1 ARG A 20 14.299 -5.168 0.480 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.893 -5.851 2.165 1.00 0.00 N ATOM 0 H ARG A 20 7.702 -1.487 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 20 9.733 -0.319 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.968 -2.723 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.921 -2.488 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.005 -1.128 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.057 -1.391 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.133 -3.602 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.544 -2.935 -0.403 1.00 0.00 H new ATOM 0 HE ARG A 20 11.450 -3.988 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.512 -4.535 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.958 -5.904 0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.025 -5.744 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.554 -6.587 2.416 1.00 0.00 H new ATOM 280 N ALA A 21 10.413 1.376 -0.551 1.00 0.00 N ATOM 281 CA ALA A 21 10.804 2.400 -1.501 1.00 0.00 C ATOM 282 C ALA A 21 11.983 3.195 -0.975 1.00 0.00 C ATOM 283 O ALA A 21 12.332 3.104 0.206 1.00 0.00 O ATOM 284 CB ALA A 21 9.631 3.331 -1.774 1.00 0.00 C ATOM 0 H ALA A 21 10.632 1.597 0.421 1.00 0.00 H new ATOM 0 HA ALA A 21 11.101 1.914 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.933 4.097 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.800 2.758 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.319 3.805 -0.844 1.00 0.00 H new ATOM 290 N GLU A 22 12.598 3.964 -1.857 1.00 0.00 N ATOM 291 CA GLU A 22 13.716 4.803 -1.482 1.00 0.00 C ATOM 292 C GLU A 22 13.163 6.152 -1.089 1.00 0.00 C ATOM 293 O GLU A 22 12.663 6.890 -1.935 1.00 0.00 O ATOM 294 CB GLU A 22 14.713 4.953 -2.638 1.00 0.00 C ATOM 295 CG GLU A 22 15.140 3.620 -3.229 1.00 0.00 C ATOM 296 CD GLU A 22 16.335 3.741 -4.149 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.169 4.221 -5.288 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.442 3.339 -3.737 1.00 0.00 O ATOM 0 H GLU A 22 12.338 4.023 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 22 14.256 4.349 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.264 5.564 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.595 5.486 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.379 2.929 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.305 3.188 -3.781 1.00 0.00 H new ATOM 303 N CYS A 23 13.207 6.452 0.192 1.00 0.00 N ATOM 304 CA CYS A 23 12.687 7.708 0.681 1.00 0.00 C ATOM 305 C CYS A 23 13.806 8.719 0.795 1.00 0.00 C ATOM 306 O CYS A 23 14.827 8.459 1.427 1.00 0.00 O ATOM 307 CB CYS A 23 12.007 7.505 2.033 1.00 0.00 C ATOM 308 SG CYS A 23 10.662 6.296 2.001 1.00 0.00 S ATOM 0 H CYS A 23 13.597 5.843 0.911 1.00 0.00 H new ATOM 0 HA CYS A 23 11.946 8.086 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.753 7.185 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.615 8.461 2.379 1.00 0.00 H new ATOM 0 HG CYS A 23 11.148 5.113 1.769 1.00 0.00 H new ATOM 313 N ARG A 24 13.635 9.853 0.147 1.00 0.00 N ATOM 314 CA ARG A 24 14.630 10.892 0.194 1.00 0.00 C ATOM 315 C ARG A 24 14.556 11.610 1.534 1.00 0.00 C ATOM 316 O ARG A 24 13.562 12.269 1.842 1.00 0.00 O ATOM 317 CB ARG A 24 14.409 11.845 -0.971 1.00 0.00 C ATOM 318 CG ARG A 24 15.482 12.895 -1.142 1.00 0.00 C ATOM 319 CD ARG A 24 15.475 13.400 -2.567 1.00 0.00 C ATOM 320 NE ARG A 24 16.129 14.699 -2.705 1.00 0.00 N ATOM 321 CZ ARG A 24 16.114 15.423 -3.822 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.426 15.009 -4.877 1.00 0.00 N ATOM 323 NH2 ARG A 24 16.770 16.572 -3.872 1.00 0.00 N ATOM 0 H ARG A 24 12.814 10.074 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 24 15.629 10.467 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.340 11.263 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.449 12.344 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.310 13.721 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.458 12.475 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.976 12.675 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.445 13.477 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 24 16.627 15.074 -1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.906 14.133 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.417 15.567 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.286 16.901 -3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.760 17.128 -4.727 1.00 0.00 H new ATOM 334 N ASN A 25 15.595 11.441 2.343 1.00 0.00 N ATOM 335 CA ASN A 25 15.647 12.061 3.656 1.00 0.00 C ATOM 336 C ASN A 25 15.906 13.556 3.533 1.00 0.00 C ATOM 337 O ASN A 25 16.301 14.031 2.460 1.00 0.00 O ATOM 338 CB ASN A 25 16.708 11.396 4.553 1.00 0.00 C ATOM 339 CG ASN A 25 18.129 11.502 4.016 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.479 12.447 3.324 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.966 10.532 4.348 1.00 0.00 N ATOM 0 H ASN A 25 16.413 10.878 2.110 1.00 0.00 H new ATOM 0 HA ASN A 25 14.676 11.915 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.670 11.852 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.455 10.343 4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.933 10.560 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.644 9.756 4.927 1.00 0.00 H new ATOM 347 N ALA A 26 15.725 14.279 4.635 1.00 0.00 N ATOM 348 CA ALA A 26 15.913 15.728 4.652 1.00 0.00 C ATOM 349 C ALA A 26 17.337 16.111 4.269 1.00 0.00 C ATOM 350 O ALA A 26 17.578 17.193 3.730 1.00 0.00 O ATOM 351 CB ALA A 26 15.565 16.287 6.021 1.00 0.00 C ATOM 0 H ALA A 26 15.447 13.883 5.533 1.00 0.00 H new ATOM 0 HA ALA A 26 15.242 16.161 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.709 17.367 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.524 16.060 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.211 15.835 6.774 1.00 0.00 H new ATOM 357 N ASP A 27 18.279 15.219 4.534 1.00 0.00 N ATOM 358 CA ASP A 27 19.678 15.466 4.200 1.00 0.00 C ATOM 359 C ASP A 27 19.860 15.470 2.683 1.00 0.00 C ATOM 360 O ASP A 27 20.840 16.001 2.159 1.00 0.00 O ATOM 361 CB ASP A 27 20.582 14.409 4.846 1.00 0.00 C ATOM 362 CG ASP A 27 22.058 14.673 4.620 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.632 15.517 5.339 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.657 14.028 3.732 1.00 0.00 O ATOM 0 H ASP A 27 18.103 14.318 4.979 1.00 0.00 H new ATOM 0 HA ASP A 27 19.963 16.443 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.384 14.376 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.328 13.428 4.445 1.00 0.00 H new ATOM 368 N GLY A 28 18.883 14.899 1.986 1.00 0.00 N ATOM 369 CA GLY A 28 18.923 14.830 0.540 1.00 0.00 C ATOM 370 C GLY A 28 19.502 13.521 0.055 1.00 0.00 C ATOM 371 O GLY A 28 20.156 13.466 -0.987 1.00 0.00 O ATOM 0 H GLY A 28 18.054 14.478 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.915 14.951 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.519 15.656 0.153 1.00 0.00 H new ATOM 375 N ASN A 29 19.256 12.458 0.803 1.00 0.00 N ATOM 376 CA ASN A 29 19.784 11.140 0.455 1.00 0.00 C ATOM 377 C ASN A 29 18.657 10.122 0.335 1.00 0.00 C ATOM 378 O ASN A 29 17.548 10.362 0.801 1.00 0.00 O ATOM 379 CB ASN A 29 20.780 10.669 1.517 1.00 0.00 C ATOM 380 CG ASN A 29 21.906 9.836 0.932 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.742 9.168 -0.092 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.057 9.868 1.584 1.00 0.00 N ATOM 0 H ASN A 29 18.695 12.477 1.655 1.00 0.00 H new ATOM 0 HA ASN A 29 20.291 11.224 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.201 11.537 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.253 10.083 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.851 9.327 1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.150 10.434 2.427 1.00 0.00 H new ATOM 388 N TRP A 30 18.953 8.985 -0.279 1.00 0.00 N ATOM 389 CA TRP A 30 17.965 7.933 -0.467 1.00 0.00 C ATOM 390 C TRP A 30 18.133 6.824 0.561 1.00 0.00 C ATOM 391 O TRP A 30 19.189 6.196 0.642 1.00 0.00 O ATOM 392 CB TRP A 30 18.074 7.341 -1.869 1.00 0.00 C ATOM 393 CG TRP A 30 17.716 8.306 -2.949 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.568 8.933 -3.809 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.403 8.760 -3.284 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.858 9.744 -4.657 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.531 9.656 -4.353 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.131 8.496 -2.781 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.438 10.286 -4.933 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.046 9.121 -3.359 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.205 10.008 -4.424 1.00 0.00 C ATOM 0 H TRP A 30 19.875 8.767 -0.657 1.00 0.00 H new ATOM 0 HA TRP A 30 16.981 8.383 -0.337 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.093 6.990 -2.029 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.422 6.470 -1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.641 8.810 -3.821 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.258 10.321 -5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.997 7.815 -1.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.561 10.972 -5.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.055 8.920 -2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.335 10.483 -4.853 1.00 0.00 H new ATOM 411 N VAL A 31 17.091 6.596 1.342 1.00 0.00 N ATOM 412 CA VAL A 31 17.102 5.555 2.359 1.00 0.00 C ATOM 413 C VAL A 31 15.959 4.570 2.141 1.00 0.00 C ATOM 414 O VAL A 31 14.847 4.962 1.790 1.00 0.00 O ATOM 415 CB VAL A 31 17.011 6.135 3.786 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.332 6.774 4.186 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.883 7.147 3.903 1.00 0.00 C ATOM 0 H VAL A 31 16.219 7.122 1.291 1.00 0.00 H new ATOM 0 HA VAL A 31 18.055 5.035 2.262 1.00 0.00 H new ATOM 0 HB VAL A 31 16.796 5.310 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.250 7.178 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.122 6.024 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.572 7.579 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.847 7.536 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.057 7.968 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.935 6.664 3.665 1.00 0.00 H new ATOM 427 N THR A 32 16.242 3.292 2.335 1.00 0.00 N ATOM 428 CA THR A 32 15.242 2.254 2.159 1.00 0.00 C ATOM 429 C THR A 32 14.325 2.171 3.380 1.00 0.00 C ATOM 430 O THR A 32 14.767 1.827 4.479 1.00 0.00 O ATOM 431 CB THR A 32 15.908 0.886 1.924 1.00 0.00 C ATOM 432 OG1 THR A 32 16.935 1.010 0.928 1.00 0.00 O ATOM 433 CG2 THR A 32 14.886 -0.147 1.471 1.00 0.00 C ATOM 0 H THR A 32 17.161 2.949 2.616 1.00 0.00 H new ATOM 0 HA THR A 32 14.647 2.514 1.284 1.00 0.00 H new ATOM 0 HB THR A 32 16.345 0.553 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.357 0.138 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.382 -1.104 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.118 -0.259 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.425 0.182 0.540 1.00 0.00 H new ATOM 441 N SER A 33 13.055 2.501 3.185 1.00 0.00 N ATOM 442 CA SER A 33 12.081 2.462 4.262 1.00 0.00 C ATOM 443 C SER A 33 10.895 1.583 3.886 1.00 0.00 C ATOM 444 O SER A 33 10.513 1.515 2.716 1.00 0.00 O ATOM 445 CB SER A 33 11.615 3.879 4.604 1.00 0.00 C ATOM 446 OG SER A 33 12.694 4.659 5.101 1.00 0.00 O ATOM 0 H SER A 33 12.676 2.800 2.286 1.00 0.00 H new ATOM 0 HA SER A 33 12.556 2.029 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.196 4.353 3.716 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.819 3.835 5.348 1.00 0.00 H new ATOM 0 HG SER A 33 12.441 5.606 5.099 1.00 0.00 H new ATOM 451 N GLU A 34 10.330 0.904 4.879 1.00 0.00 N ATOM 452 CA GLU A 34 9.193 0.021 4.659 1.00 0.00 C ATOM 453 C GLU A 34 8.084 0.290 5.673 1.00 0.00 C ATOM 454 O GLU A 34 8.346 0.445 6.870 1.00 0.00 O ATOM 455 CB GLU A 34 9.620 -1.448 4.752 1.00 0.00 C ATOM 456 CG GLU A 34 10.561 -1.896 3.647 1.00 0.00 C ATOM 457 CD GLU A 34 10.826 -3.389 3.681 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.473 -3.858 4.637 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.389 -4.100 2.750 1.00 0.00 O ATOM 0 H GLU A 34 10.644 0.950 5.848 1.00 0.00 H new ATOM 0 HA GLU A 34 8.812 0.222 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.104 -1.613 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.729 -2.075 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.135 -1.628 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.506 -1.360 3.739 1.00 0.00 H new ATOM 464 N LEU A 35 6.850 0.351 5.187 1.00 0.00 N ATOM 465 CA LEU A 35 5.686 0.584 6.041 1.00 0.00 C ATOM 466 C LEU A 35 4.625 -0.469 5.732 1.00 0.00 C ATOM 467 O LEU A 35 4.320 -0.724 4.565 1.00 0.00 O ATOM 468 CB LEU A 35 5.122 1.999 5.808 1.00 0.00 C ATOM 469 CG LEU A 35 4.255 2.598 6.936 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.895 1.923 7.020 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.981 2.498 8.268 1.00 0.00 C ATOM 0 H LEU A 35 6.626 0.242 4.198 1.00 0.00 H new ATOM 0 HA LEU A 35 5.982 0.507 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.960 2.673 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.527 1.981 4.895 1.00 0.00 H new ATOM 0 HG LEU A 35 4.085 3.649 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.315 2.373 7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.366 2.052 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.028 0.860 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.358 2.924 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.185 1.451 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.921 3.047 8.212 1.00 0.00 H new ATOM 482 N ASP A 36 4.085 -1.089 6.771 1.00 0.00 N ATOM 483 CA ASP A 36 3.056 -2.113 6.606 1.00 0.00 C ATOM 484 C ASP A 36 1.681 -1.471 6.549 1.00 0.00 C ATOM 485 O ASP A 36 1.184 -0.957 7.548 1.00 0.00 O ATOM 486 CB ASP A 36 3.102 -3.124 7.756 1.00 0.00 C ATOM 487 CG ASP A 36 4.408 -3.885 7.813 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.556 -4.874 7.071 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.298 -3.495 8.602 1.00 0.00 O ATOM 0 H ASP A 36 4.341 -0.902 7.741 1.00 0.00 H new ATOM 0 HA ASP A 36 3.250 -2.638 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.950 -2.601 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.279 -3.830 7.646 1.00 0.00 H new ATOM 493 N LEU A 37 1.067 -1.503 5.379 1.00 0.00 N ATOM 494 CA LEU A 37 -0.251 -0.911 5.194 1.00 0.00 C ATOM 495 C LEU A 37 -1.368 -1.883 5.552 1.00 0.00 C ATOM 496 O LEU A 37 -2.500 -1.464 5.789 1.00 0.00 O ATOM 497 CB LEU A 37 -0.453 -0.472 3.746 1.00 0.00 C ATOM 498 CG LEU A 37 0.799 -0.050 2.990 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.430 0.300 1.562 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.471 1.130 3.672 1.00 0.00 C ATOM 0 H LEU A 37 1.459 -1.933 4.541 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.296 -0.050 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.922 -1.292 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.156 0.361 3.736 1.00 0.00 H new ATOM 0 HG LEU A 37 1.507 -0.879 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.325 0.603 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.012 -0.570 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.289 1.120 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.363 1.413 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.781 1.973 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.752 0.851 4.688 1.00 0.00 H new ATOM 511 N ASP A 38 -1.063 -3.177 5.612 1.00 0.00 N ATOM 512 CA ASP A 38 -2.096 -4.171 5.901 1.00 0.00 C ATOM 513 C ASP A 38 -2.646 -4.026 7.313 1.00 0.00 C ATOM 514 O ASP A 38 -3.677 -4.598 7.635 1.00 0.00 O ATOM 515 CB ASP A 38 -1.576 -5.590 5.693 1.00 0.00 C ATOM 516 CG ASP A 38 -0.929 -6.165 6.930 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.123 -5.642 7.351 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.461 -7.156 7.470 1.00 0.00 O ATOM 0 H ASP A 38 -0.128 -3.558 5.468 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.908 -3.987 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.402 -6.233 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.853 -5.591 4.877 1.00 0.00 H new ATOM 522 N THR A 39 -1.964 -3.267 8.151 1.00 0.00 N ATOM 523 CA THR A 39 -2.421 -3.063 9.511 1.00 0.00 C ATOM 524 C THR A 39 -3.402 -1.885 9.570 1.00 0.00 C ATOM 525 O THR A 39 -3.992 -1.599 10.613 1.00 0.00 O ATOM 526 CB THR A 39 -1.227 -2.831 10.471 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.666 -2.842 11.834 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.530 -1.512 10.175 1.00 0.00 C ATOM 0 H THR A 39 -1.097 -2.785 7.915 1.00 0.00 H new ATOM 0 HA THR A 39 -2.939 -3.965 9.837 1.00 0.00 H new ATOM 0 HB THR A 39 -0.518 -3.644 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.539 -2.401 11.900 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.303 -1.378 10.865 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.156 -1.520 9.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.237 -0.692 10.296 1.00 0.00 H new ATOM 536 N CYS A 40 -3.593 -1.214 8.436 1.00 0.00 N ATOM 537 CA CYS A 40 -4.498 -0.072 8.370 1.00 0.00 C ATOM 538 C CYS A 40 -5.519 -0.230 7.242 1.00 0.00 C ATOM 539 O CYS A 40 -6.599 0.369 7.276 1.00 0.00 O ATOM 540 CB CYS A 40 -3.693 1.212 8.189 1.00 0.00 C ATOM 541 SG CYS A 40 -2.408 1.441 9.438 1.00 0.00 S ATOM 0 H CYS A 40 -3.134 -1.441 7.554 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.053 -0.020 9.307 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.231 1.206 7.202 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.372 2.064 8.218 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.290 2.706 9.713 1.00 0.00 H new ATOM 546 N ILE A 41 -5.187 -1.045 6.252 1.00 0.00 N ATOM 547 CA ILE A 41 -6.079 -1.287 5.130 1.00 0.00 C ATOM 548 C ILE A 41 -6.768 -2.638 5.286 1.00 0.00 C ATOM 549 O ILE A 41 -6.136 -3.618 5.687 1.00 0.00 O ATOM 550 CB ILE A 41 -5.325 -1.270 3.782 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.595 0.060 3.585 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.293 -1.517 2.636 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.782 0.123 2.308 1.00 0.00 C ATOM 0 H ILE A 41 -4.303 -1.551 6.204 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.816 -0.484 5.128 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.582 -2.068 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.326 0.869 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.935 0.232 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.750 -1.503 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.770 -2.489 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.054 -0.737 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.293 1.094 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.027 -0.663 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.440 -0.017 1.450 1.00 0.00 H new ATOM 564 N GLY A 42 -8.054 -2.688 4.969 1.00 0.00 N ATOM 565 CA GLY A 42 -8.795 -3.926 5.066 1.00 0.00 C ATOM 566 C GLY A 42 -9.898 -3.994 4.042 1.00 0.00 C ATOM 567 O GLY A 42 -10.321 -2.962 3.518 1.00 0.00 O ATOM 0 H GLY A 42 -8.598 -1.888 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.117 -4.768 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.220 -4.019 6.066 1.00 0.00 H new ATOM 571 N ASN A 43 -10.353 -5.205 3.736 1.00 0.00 N ATOM 572 CA ASN A 43 -11.425 -5.387 2.762 1.00 0.00 C ATOM 573 C ASN A 43 -12.090 -6.766 2.861 1.00 0.00 C ATOM 574 O ASN A 43 -12.327 -7.403 1.840 1.00 0.00 O ATOM 575 CB ASN A 43 -10.896 -5.169 1.333 1.00 0.00 C ATOM 576 CG ASN A 43 -9.749 -6.090 0.960 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.531 -5.626 1.153 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -9.953 -7.192 0.475 1.00 0.00 N flip ATOM 0 H ASN A 43 -9.999 -6.070 4.145 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.185 -4.641 2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.713 -5.316 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.568 -4.135 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.909 -7.520 0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.167 -7.784 0.206 1.00 0.00 H new ATOM 584 N PRO A 44 -12.467 -7.237 4.072 1.00 0.00 N ATOM 585 CA PRO A 44 -13.099 -8.553 4.220 1.00 0.00 C ATOM 586 C PRO A 44 -14.487 -8.579 3.586 1.00 0.00 C ATOM 587 O PRO A 44 -15.013 -9.641 3.248 1.00 0.00 O ATOM 588 CB PRO A 44 -13.189 -8.750 5.734 1.00 0.00 C ATOM 589 CG PRO A 44 -13.194 -7.371 6.294 1.00 0.00 C ATOM 590 CD PRO A 44 -12.348 -6.542 5.369 1.00 0.00 C ATOM 0 HA PRO A 44 -12.534 -9.342 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.093 -9.293 6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.344 -9.327 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.209 -6.978 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.790 -7.360 7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.709 -5.515 5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.312 -6.497 5.706 1.00 0.00 H new ATOM 595 N ASN A 45 -15.068 -7.390 3.432 1.00 0.00 N ATOM 596 CA ASN A 45 -16.385 -7.238 2.826 1.00 0.00 C ATOM 597 C ASN A 45 -16.262 -7.189 1.312 1.00 0.00 C ATOM 598 O ASN A 45 -17.241 -7.375 0.586 1.00 0.00 O ATOM 599 CB ASN A 45 -17.062 -5.956 3.320 1.00 0.00 C ATOM 600 CG ASN A 45 -17.358 -5.976 4.798 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.505 -5.641 5.620 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.577 -6.323 5.147 1.00 0.00 N ATOM 0 H ASN A 45 -14.640 -6.511 3.723 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.993 -8.095 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.421 -5.104 3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.992 -5.809 2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.846 -6.321 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.254 -6.594 4.434 1.00 0.00 H new ATOM 608 N GLY A 46 -15.050 -6.943 0.835 1.00 0.00 N ATOM 609 CA GLY A 46 -14.828 -6.871 -0.588 1.00 0.00 C ATOM 610 C GLY A 46 -14.562 -5.463 -1.085 1.00 0.00 C ATOM 611 O GLY A 46 -14.530 -5.228 -2.290 1.00 0.00 O ATOM 0 H GLY A 46 -14.221 -6.793 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.982 -7.507 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.700 -7.272 -1.105 1.00 0.00 H new ATOM 615 N PHE A 47 -14.386 -4.520 -0.166 1.00 0.00 N ATOM 616 CA PHE A 47 -14.123 -3.133 -0.545 1.00 0.00 C ATOM 617 C PHE A 47 -12.854 -2.617 0.117 1.00 0.00 C ATOM 618 O PHE A 47 -12.649 -2.804 1.314 1.00 0.00 O ATOM 619 CB PHE A 47 -15.319 -2.248 -0.200 1.00 0.00 C ATOM 620 CG PHE A 47 -16.555 -2.625 -0.964 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.622 -2.433 -2.337 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.642 -3.186 -0.315 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.753 -2.793 -3.045 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.773 -3.549 -1.018 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.830 -3.351 -2.384 1.00 0.00 C ATOM 0 H PHE A 47 -14.420 -4.687 0.840 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.972 -3.097 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.522 -2.318 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.069 -1.208 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.782 -1.998 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.604 -3.341 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.795 -2.638 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.613 -3.988 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.716 -3.632 -2.935 1.00 0.00 H new ATOM 634 N LEU A 48 -12.027 -1.942 -0.669 1.00 0.00 N ATOM 635 CA LEU A 48 -10.751 -1.416 -0.198 1.00 0.00 C ATOM 636 C LEU A 48 -10.914 -0.073 0.502 1.00 0.00 C ATOM 637 O LEU A 48 -11.567 0.835 -0.013 1.00 0.00 O ATOM 638 CB LEU A 48 -9.803 -1.250 -1.386 1.00 0.00 C ATOM 639 CG LEU A 48 -9.309 -2.551 -2.018 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.538 -2.266 -3.296 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.434 -3.314 -1.039 1.00 0.00 C ATOM 0 H LEU A 48 -12.220 -1.743 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.344 -2.125 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.308 -0.663 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.938 -0.673 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.176 -3.163 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.195 -3.205 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.187 -1.753 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.678 -1.635 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.090 -4.238 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.574 -2.702 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.010 -3.550 -0.144 1.00 0.00 H new ATOM 652 N GLY A 49 -10.307 0.048 1.674 1.00 0.00 N ATOM 653 CA GLY A 49 -10.370 1.283 2.425 1.00 0.00 C ATOM 654 C GLY A 49 -9.515 1.228 3.671 1.00 0.00 C ATOM 655 O GLY A 49 -9.009 0.161 4.035 1.00 0.00 O ATOM 0 H GLY A 49 -9.768 -0.694 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.040 2.109 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.404 1.487 2.703 1.00 0.00 H new ATOM 659 N TRP A 50 -9.343 2.371 4.322 1.00 0.00 N ATOM 660 CA TRP A 50 -8.548 2.445 5.537 1.00 0.00 C ATOM 661 C TRP A 50 -9.457 2.341 6.755 1.00 0.00 C ATOM 662 O TRP A 50 -10.514 2.975 6.802 1.00 0.00 O ATOM 663 CB TRP A 50 -7.764 3.765 5.601 1.00 0.00 C ATOM 664 CG TRP A 50 -6.780 3.965 4.484 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.024 4.512 3.257 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.385 3.641 4.504 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.868 4.538 2.513 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.851 4.008 3.255 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.537 3.079 5.457 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.511 3.820 2.934 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.208 2.893 5.137 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.705 3.266 3.888 1.00 0.00 C ATOM 0 H TRP A 50 -9.745 3.261 4.027 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.839 1.617 5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.473 4.593 5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.230 3.809 6.550 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.985 4.872 2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.784 4.895 1.561 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.914 2.794 6.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.122 4.101 1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.544 2.451 5.865 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.658 3.113 3.672 1.00 0.00 H new ATOM 682 N GLY A 51 -9.057 1.533 7.727 1.00 0.00 N ATOM 683 CA GLY A 51 -9.852 1.385 8.932 1.00 0.00 C ATOM 684 C GLY A 51 -9.974 -0.053 9.405 1.00 0.00 C ATOM 685 O GLY A 51 -10.839 -0.366 10.225 1.00 0.00 O ATOM 0 H GLY A 51 -8.201 0.979 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.407 1.984 9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.850 1.785 8.751 1.00 0.00 H new ATOM 689 N MET A 52 -9.113 -0.927 8.903 1.00 0.00 N ATOM 690 CA MET A 52 -9.137 -2.331 9.285 1.00 0.00 C ATOM 691 C MET A 52 -7.758 -2.936 9.062 1.00 0.00 C ATOM 692 O MET A 52 -6.793 -2.203 8.891 1.00 0.00 O ATOM 693 CB MET A 52 -10.192 -3.077 8.475 1.00 0.00 C ATOM 694 CG MET A 52 -11.058 -3.977 9.331 1.00 0.00 C ATOM 695 SD MET A 52 -12.331 -4.824 8.385 1.00 0.00 S ATOM 696 CE MET A 52 -13.225 -5.658 9.694 1.00 0.00 C ATOM 0 H MET A 52 -8.387 -0.687 8.228 1.00 0.00 H new ATOM 0 HA MET A 52 -9.396 -2.419 10.340 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.825 -2.355 7.958 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.700 -3.675 7.709 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.428 -4.716 9.826 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.529 -3.383 10.114 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.049 -6.229 9.266 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.552 -6.333 10.221 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.619 -4.920 10.393 1.00 0.00 H new ATOM 704 N GLN A 53 -7.646 -4.257 9.076 1.00 0.00 N ATOM 705 CA GLN A 53 -6.350 -4.886 8.874 1.00 0.00 C ATOM 706 C GLN A 53 -6.478 -6.222 8.153 1.00 0.00 C ATOM 707 O GLN A 53 -7.577 -6.756 8.004 1.00 0.00 O ATOM 708 CB GLN A 53 -5.631 -5.080 10.213 1.00 0.00 C ATOM 709 CG GLN A 53 -6.419 -5.900 11.221 1.00 0.00 C ATOM 710 CD GLN A 53 -5.651 -6.118 12.508 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.799 -5.198 13.448 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -4.927 -7.102 12.654 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.422 -4.903 9.222 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.760 -4.220 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.673 -5.567 10.033 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.415 -4.102 10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.359 -5.395 11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.672 -6.866 10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.841 -7.788 11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.413 -7.232 13.525 1.00 0.00 H new ATOM 719 N ASN A 54 -5.329 -6.737 7.708 1.00 0.00 N ATOM 720 CA ASN A 54 -5.239 -8.021 7.012 1.00 0.00 C ATOM 721 C ASN A 54 -5.916 -7.986 5.645 1.00 0.00 C ATOM 722 O ASN A 54 -6.582 -8.943 5.247 1.00 0.00 O ATOM 723 CB ASN A 54 -5.819 -9.153 7.868 1.00 0.00 C ATOM 724 CG ASN A 54 -4.878 -9.584 8.976 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.026 -8.982 10.144 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -4.030 -10.457 8.788 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.429 -6.271 7.822 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.179 -8.215 6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.763 -8.827 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.041 -10.009 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.947 -10.898 7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.411 -10.739 9.548 1.00 0.00 H new ATOM 732 N PHE A 55 -5.721 -6.895 4.909 1.00 0.00 N ATOM 733 CA PHE A 55 -6.323 -6.762 3.588 1.00 0.00 C ATOM 734 C PHE A 55 -5.669 -7.714 2.588 1.00 0.00 C ATOM 735 O PHE A 55 -6.287 -8.113 1.605 1.00 0.00 O ATOM 736 CB PHE A 55 -6.216 -5.315 3.080 1.00 0.00 C ATOM 737 CG PHE A 55 -4.937 -4.988 2.353 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.736 -4.897 3.034 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.941 -4.770 0.984 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.563 -4.597 2.366 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.774 -4.468 0.311 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.584 -4.381 1.004 1.00 0.00 C ATOM 0 H PHE A 55 -5.156 -6.098 5.202 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.377 -7.025 3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.056 -5.117 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.316 -4.639 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.714 -5.062 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.870 -4.837 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.632 -4.532 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.792 -4.300 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.670 -4.144 0.480 1.00 0.00 H new ATOM 751 N SER A 56 -4.423 -8.090 2.858 1.00 0.00 N ATOM 752 CA SER A 56 -3.676 -8.977 1.975 1.00 0.00 C ATOM 753 C SER A 56 -4.367 -10.333 1.830 1.00 0.00 C ATOM 754 O SER A 56 -4.468 -10.875 0.729 1.00 0.00 O ATOM 755 CB SER A 56 -2.246 -9.160 2.507 1.00 0.00 C ATOM 756 OG SER A 56 -1.492 -10.045 1.691 1.00 0.00 O ATOM 0 H SER A 56 -3.908 -7.792 3.686 1.00 0.00 H new ATOM 0 HA SER A 56 -3.637 -8.519 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.747 -8.192 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.283 -9.546 3.526 1.00 0.00 H new ATOM 0 HG SER A 56 -0.588 -10.137 2.057 1.00 0.00 H new ATOM 761 N HIS A 57 -4.881 -10.854 2.937 1.00 0.00 N ATOM 762 CA HIS A 57 -5.546 -12.158 2.934 1.00 0.00 C ATOM 763 C HIS A 57 -6.888 -12.099 2.208 1.00 0.00 C ATOM 764 O HIS A 57 -7.455 -13.131 1.850 1.00 0.00 O ATOM 765 CB HIS A 57 -5.756 -12.665 4.366 1.00 0.00 C ATOM 766 CG HIS A 57 -4.489 -12.905 5.131 1.00 0.00 C ATOM 767 ND1 HIS A 57 -4.248 -12.891 6.463 1.00 0.00 N flip ATOM 768 CD2 HIS A 57 -3.281 -13.189 4.531 1.00 0.00 C flip ATOM 769 CE1 HIS A 57 -2.916 -13.167 6.638 1.00 0.00 C flip ATOM 770 NE2 HIS A 57 -2.356 -13.344 5.458 1.00 0.00 N flip ATOM 0 H HIS A 57 -4.852 -10.397 3.849 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.896 -12.852 2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.362 -11.940 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.325 -13.594 4.330 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.117 -13.272 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.408 -13.229 7.589 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.374 -13.564 5.290 1.00 0.00 H new ATOM 778 N SER A 58 -7.387 -10.898 1.974 1.00 0.00 N ATOM 779 CA SER A 58 -8.665 -10.732 1.305 1.00 0.00 C ATOM 780 C SER A 58 -8.506 -10.078 -0.067 1.00 0.00 C ATOM 781 O SER A 58 -9.467 -9.570 -0.623 1.00 0.00 O ATOM 782 CB SER A 58 -9.602 -9.895 2.178 1.00 0.00 C ATOM 783 OG SER A 58 -9.724 -10.452 3.475 1.00 0.00 O ATOM 0 H SER A 58 -6.928 -10.026 2.237 1.00 0.00 H new ATOM 0 HA SER A 58 -9.093 -11.723 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.223 -8.876 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.585 -9.837 1.710 1.00 0.00 H new ATOM 0 HG SER A 58 -10.327 -9.898 4.014 1.00 0.00 H new ATOM 788 N SER A 59 -7.311 -10.100 -0.636 1.00 0.00 N ATOM 789 CA SER A 59 -7.112 -9.476 -1.939 1.00 0.00 C ATOM 790 C SER A 59 -6.219 -10.310 -2.855 1.00 0.00 C ATOM 791 O SER A 59 -5.390 -11.096 -2.393 1.00 0.00 O ATOM 792 CB SER A 59 -6.516 -8.075 -1.768 1.00 0.00 C ATOM 793 OG SER A 59 -7.381 -7.234 -1.023 1.00 0.00 O ATOM 0 H SER A 59 -6.481 -10.532 -0.230 1.00 0.00 H new ATOM 0 HA SER A 59 -8.091 -9.406 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.552 -8.147 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.331 -7.634 -2.748 1.00 0.00 H new ATOM 0 HG SER A 59 -7.216 -7.361 -0.065 1.00 0.00 H new ATOM 798 N GLU A 60 -6.417 -10.131 -4.155 1.00 0.00 N ATOM 799 CA GLU A 60 -5.645 -10.828 -5.174 1.00 0.00 C ATOM 800 C GLU A 60 -4.882 -9.828 -6.038 1.00 0.00 C ATOM 801 O GLU A 60 -5.394 -8.745 -6.335 1.00 0.00 O ATOM 802 CB GLU A 60 -6.565 -11.648 -6.079 1.00 0.00 C ATOM 803 CG GLU A 60 -7.195 -12.854 -5.416 1.00 0.00 C ATOM 804 CD GLU A 60 -8.200 -13.537 -6.322 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.886 -13.767 -7.511 1.00 0.00 O ATOM 806 OE2 GLU A 60 -9.312 -13.843 -5.850 1.00 0.00 O ATOM 0 H GLU A 60 -7.120 -9.496 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.944 -11.491 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.358 -10.999 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.995 -11.983 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.416 -13.564 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.688 -12.545 -4.494 1.00 0.00 H new ATOM 811 N ASP A 61 -3.665 -10.200 -6.427 1.00 0.00 N ATOM 812 CA ASP A 61 -2.816 -9.371 -7.288 1.00 0.00 C ATOM 813 C ASP A 61 -2.584 -7.987 -6.702 1.00 0.00 C ATOM 814 O ASP A 61 -3.187 -7.007 -7.139 1.00 0.00 O ATOM 815 CB ASP A 61 -3.425 -9.236 -8.688 1.00 0.00 C ATOM 816 CG ASP A 61 -3.502 -10.551 -9.430 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.487 -10.964 -10.030 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.582 -11.178 -9.427 1.00 0.00 O ATOM 0 H ASP A 61 -3.237 -11.085 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.853 -9.877 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.427 -8.814 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.831 -8.531 -9.270 1.00 0.00 H new ATOM 822 N ILE A 62 -1.706 -7.904 -5.718 1.00 0.00 N ATOM 823 CA ILE A 62 -1.401 -6.630 -5.094 1.00 0.00 C ATOM 824 C ILE A 62 -0.208 -5.977 -5.782 1.00 0.00 C ATOM 825 O ILE A 62 0.919 -6.474 -5.709 1.00 0.00 O ATOM 826 CB ILE A 62 -1.109 -6.793 -3.588 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.336 -7.368 -2.873 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.711 -5.458 -2.972 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.089 -7.699 -1.416 1.00 0.00 C ATOM 0 H ILE A 62 -1.194 -8.699 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.277 -5.991 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.276 -7.486 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.154 -6.651 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.659 -8.270 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.509 -5.593 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.185 -5.082 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.523 -4.742 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.001 -8.101 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.292 -8.439 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.796 -6.795 -0.882 1.00 0.00 H new ATOM 840 N LYS A 63 -0.469 -4.868 -6.455 1.00 0.00 N ATOM 841 CA LYS A 63 0.565 -4.129 -7.159 1.00 0.00 C ATOM 842 C LYS A 63 0.212 -2.649 -7.164 1.00 0.00 C ATOM 843 O LYS A 63 -0.958 -2.285 -7.088 1.00 0.00 O ATOM 844 CB LYS A 63 0.722 -4.661 -8.589 1.00 0.00 C ATOM 845 CG LYS A 63 1.803 -3.948 -9.394 1.00 0.00 C ATOM 846 CD LYS A 63 2.198 -4.736 -10.629 1.00 0.00 C ATOM 847 CE LYS A 63 2.898 -6.031 -10.253 1.00 0.00 C ATOM 848 NZ LYS A 63 3.423 -6.748 -11.446 1.00 0.00 N ATOM 0 H LYS A 63 -1.399 -4.457 -6.528 1.00 0.00 H new ATOM 0 HA LYS A 63 1.518 -4.262 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.955 -5.725 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.230 -4.563 -9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.444 -2.962 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.680 -3.792 -8.766 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.310 -4.958 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.856 -4.132 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.719 -5.814 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.202 -6.678 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.893 -7.626 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.637 -6.979 -12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.107 -6.142 -11.942 1.00 0.00 H new ATOM 858 N LEU A 64 1.218 -1.800 -7.265 1.00 0.00 N ATOM 859 CA LEU A 64 1.008 -0.362 -7.260 1.00 0.00 C ATOM 860 C LEU A 64 0.603 0.137 -8.641 1.00 0.00 C ATOM 861 O LEU A 64 1.280 -0.111 -9.637 1.00 0.00 O ATOM 862 CB LEU A 64 2.282 0.330 -6.781 1.00 0.00 C ATOM 863 CG LEU A 64 2.654 0.025 -5.330 1.00 0.00 C ATOM 864 CD1 LEU A 64 4.105 0.377 -5.054 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.740 0.775 -4.381 1.00 0.00 C ATOM 0 H LEU A 64 2.194 -2.082 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 64 0.192 -0.123 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.108 0.032 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.161 1.407 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 64 2.528 -1.045 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.343 0.150 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.752 -0.206 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.263 1.440 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.018 0.547 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.836 1.847 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.708 0.471 -4.554 1.00 0.00 H new ATOM 876 N GLU A 65 -0.518 0.853 -8.672 1.00 0.00 N ATOM 877 CA GLU A 65 -1.074 1.400 -9.905 1.00 0.00 C ATOM 878 C GLU A 65 -0.271 2.600 -10.386 1.00 0.00 C ATOM 879 O GLU A 65 0.155 2.660 -11.539 1.00 0.00 O ATOM 880 CB GLU A 65 -2.530 1.801 -9.665 1.00 0.00 C ATOM 881 CG GLU A 65 -3.187 2.503 -10.836 1.00 0.00 C ATOM 882 CD GLU A 65 -4.656 2.780 -10.592 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.975 3.544 -9.660 1.00 0.00 O ATOM 884 OE2 GLU A 65 -5.499 2.243 -11.340 1.00 0.00 O ATOM 0 H GLU A 65 -1.067 1.070 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.025 0.636 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.105 0.907 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.575 2.454 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.670 3.443 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.079 1.890 -11.731 1.00 0.00 H new ATOM 889 N GLU A 66 -0.073 3.559 -9.494 1.00 0.00 N ATOM 890 CA GLU A 66 0.681 4.755 -9.816 1.00 0.00 C ATOM 891 C GLU A 66 2.156 4.535 -9.521 1.00 0.00 C ATOM 892 O GLU A 66 2.983 5.428 -9.700 1.00 0.00 O ATOM 893 CB GLU A 66 0.164 5.946 -9.010 1.00 0.00 C ATOM 894 CG GLU A 66 -1.315 6.229 -9.209 1.00 0.00 C ATOM 895 CD GLU A 66 -1.657 6.573 -10.643 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.446 7.732 -11.048 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.153 5.689 -11.367 1.00 0.00 O ATOM 0 H GLU A 66 -0.427 3.529 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 66 0.555 4.969 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.350 5.764 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.734 6.833 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.892 5.357 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.613 7.053 -8.561 1.00 0.00 H new ATOM 902 N GLY A 67 2.473 3.334 -9.061 1.00 0.00 N ATOM 903 CA GLY A 67 3.840 2.999 -8.731 1.00 0.00 C ATOM 904 C GLY A 67 4.269 3.592 -7.404 1.00 0.00 C ATOM 905 O GLY A 67 5.428 3.962 -7.230 1.00 0.00 O ATOM 0 H GLY A 67 1.801 2.581 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.948 1.915 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.501 3.359 -9.519 1.00 0.00 H new ATOM 909 N GLY A 68 3.326 3.711 -6.474 1.00 0.00 N ATOM 910 CA GLY A 68 3.647 4.255 -5.170 1.00 0.00 C ATOM 911 C GLY A 68 2.538 5.118 -4.617 1.00 0.00 C ATOM 912 O GLY A 68 2.203 5.028 -3.440 1.00 0.00 O ATOM 0 H GLY A 68 2.350 3.441 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.847 3.437 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.561 4.844 -5.240 1.00 0.00 H new ATOM 916 N ARG A 69 1.964 5.951 -5.472 1.00 0.00 N ATOM 917 CA ARG A 69 0.880 6.841 -5.068 1.00 0.00 C ATOM 918 C ARG A 69 -0.399 6.056 -4.782 1.00 0.00 C ATOM 919 O ARG A 69 -1.209 6.452 -3.941 1.00 0.00 O ATOM 920 CB ARG A 69 0.586 7.863 -6.171 1.00 0.00 C ATOM 921 CG ARG A 69 1.789 8.666 -6.635 1.00 0.00 C ATOM 922 CD ARG A 69 2.147 9.771 -5.659 1.00 0.00 C ATOM 923 NE ARG A 69 3.204 10.632 -6.187 1.00 0.00 N ATOM 924 CZ ARG A 69 3.105 11.959 -6.271 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.981 12.571 -5.904 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.118 12.671 -6.748 1.00 0.00 N ATOM 0 H ARG A 69 2.230 6.031 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 69 1.201 7.353 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.164 7.339 -7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.177 8.554 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.643 8.000 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.580 9.100 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.262 10.370 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.471 9.333 -4.715 1.00 0.00 H new ATOM 0 HE ARG A 69 4.066 10.193 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.193 12.025 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.908 13.586 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.972 12.203 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.042 13.686 -6.812 1.00 0.00 H new ATOM 937 N LYS A 70 -0.573 4.935 -5.475 1.00 0.00 N ATOM 938 CA LYS A 70 -1.779 4.137 -5.316 1.00 0.00 C ATOM 939 C LYS A 70 -1.497 2.647 -5.424 1.00 0.00 C ATOM 940 O LYS A 70 -0.632 2.223 -6.194 1.00 0.00 O ATOM 941 CB LYS A 70 -2.782 4.545 -6.390 1.00 0.00 C ATOM 942 CG LYS A 70 -4.205 4.105 -6.103 1.00 0.00 C ATOM 943 CD LYS A 70 -5.205 5.031 -6.767 1.00 0.00 C ATOM 944 CE LYS A 70 -6.634 4.620 -6.466 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.591 5.719 -6.752 1.00 0.00 N ATOM 0 H LYS A 70 0.100 4.563 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.181 4.322 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.763 5.629 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.468 4.124 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.354 3.086 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.375 4.092 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.040 6.052 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.044 5.028 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.895 3.745 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.716 4.328 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.564 5.372 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.421 6.507 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.459 6.049 -7.729 1.00 0.00 H new ATOM 955 N LEU A 71 -2.249 1.869 -4.657 1.00 0.00 N ATOM 956 CA LEU A 71 -2.128 0.421 -4.647 1.00 0.00 C ATOM 957 C LEU A 71 -3.387 -0.186 -5.258 1.00 0.00 C ATOM 958 O LEU A 71 -4.501 0.248 -4.958 1.00 0.00 O ATOM 959 CB LEU A 71 -1.925 -0.080 -3.207 1.00 0.00 C ATOM 960 CG LEU A 71 -1.657 -1.581 -3.040 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.842 -1.830 -1.781 1.00 0.00 C ATOM 962 CD2 LEU A 71 -2.963 -2.363 -2.968 1.00 0.00 C ATOM 0 H LEU A 71 -2.962 2.228 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.263 0.117 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.090 0.467 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.812 0.175 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.095 -1.923 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.658 -2.899 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.109 -1.303 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.393 -1.467 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.745 -3.424 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.549 -2.016 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.530 -2.209 -3.886 1.00 0.00 H new ATOM 973 N THR A 72 -3.211 -1.168 -6.122 1.00 0.00 N ATOM 974 CA THR A 72 -4.336 -1.825 -6.765 1.00 0.00 C ATOM 975 C THR A 72 -4.320 -3.326 -6.519 1.00 0.00 C ATOM 976 O THR A 72 -3.288 -3.987 -6.679 1.00 0.00 O ATOM 977 CB THR A 72 -4.360 -1.561 -8.282 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.026 -1.586 -8.811 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.015 -0.227 -8.582 1.00 0.00 C ATOM 0 H THR A 72 -2.298 -1.530 -6.396 1.00 0.00 H new ATOM 0 HA THR A 72 -5.236 -1.400 -6.320 1.00 0.00 H new ATOM 0 HB THR A 72 -4.944 -2.348 -8.759 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.422 -1.995 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.022 -0.059 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.039 -0.232 -8.209 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.455 0.571 -8.094 1.00 0.00 H new ATOM 987 N CYS A 73 -5.465 -3.845 -6.125 1.00 0.00 N ATOM 988 CA CYS A 73 -5.632 -5.258 -5.861 1.00 0.00 C ATOM 989 C CYS A 73 -7.110 -5.598 -5.944 1.00 0.00 C ATOM 990 O CYS A 73 -7.953 -4.701 -5.945 1.00 0.00 O ATOM 991 CB CYS A 73 -5.073 -5.619 -4.481 1.00 0.00 C ATOM 992 SG CYS A 73 -5.826 -4.714 -3.109 1.00 0.00 S ATOM 0 H CYS A 73 -6.311 -3.294 -5.978 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.081 -5.836 -6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.211 -6.687 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.999 -5.432 -4.477 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.285 -5.094 -1.990 1.00 0.00 H new ATOM 997 N ARG A 74 -7.430 -6.872 -6.045 1.00 0.00 N ATOM 998 CA ARG A 74 -8.820 -7.276 -6.119 1.00 0.00 C ATOM 999 C ARG A 74 -9.305 -7.754 -4.762 1.00 0.00 C ATOM 1000 O ARG A 74 -8.966 -8.857 -4.332 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.029 -8.377 -7.158 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.467 -8.861 -7.224 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.597 -10.129 -8.047 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.986 -10.563 -8.154 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.402 -11.806 -7.915 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.544 -12.731 -7.502 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.680 -12.122 -8.070 1.00 0.00 N ATOM 0 H ARG A 74 -6.756 -7.637 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.399 -6.405 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.730 -8.006 -8.138 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.378 -9.219 -6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.836 -9.043 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.094 -8.081 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.191 -9.959 -9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.002 -10.921 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.683 -9.871 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.562 -12.491 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.867 -13.681 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.348 -11.413 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.996 -13.074 -7.886 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.078 -6.920 -4.063 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.628 -7.268 -2.758 1.00 0.00 C ATOM 1020 C PRO A 75 -11.720 -8.315 -2.894 1.00 0.00 C ATOM 1021 O PRO A 75 -12.644 -8.157 -3.696 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.208 -5.952 -2.250 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.541 -5.194 -3.484 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.487 -5.570 -4.488 1.00 0.00 C ATOM 0 HA PRO A 75 -9.883 -7.693 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.093 -6.119 -1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.489 -5.412 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.536 -5.452 -3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.538 -4.120 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.882 -5.571 -5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.650 -4.873 -4.472 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.597 -9.389 -2.137 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.566 -10.460 -2.175 1.00 0.00 C ATOM 1031 C LYS A 76 -13.202 -10.667 -0.807 1.00 0.00 C ATOM 1032 O LYS A 76 -12.560 -10.452 0.223 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.923 -11.762 -2.699 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.658 -12.219 -1.973 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.952 -12.862 -0.620 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.207 -14.180 -0.427 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.736 -14.040 -0.609 1.00 0.00 N ATOM 0 H LYS A 76 -10.828 -9.540 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.359 -10.178 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.663 -12.560 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.685 -11.628 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.122 -12.932 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.999 -11.363 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.674 -12.171 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.024 -13.037 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.410 -14.565 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.588 -14.915 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.309 -14.982 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.544 -13.470 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.326 -13.571 0.224 1.00 0.00 H new ATOM 1047 N THR A 77 -14.473 -11.054 -0.794 1.00 0.00 N ATOM 1048 CA THR A 77 -15.147 -11.318 0.461 1.00 0.00 C ATOM 1049 C THR A 77 -14.590 -12.610 1.023 1.00 0.00 C ATOM 1050 O THR A 77 -14.495 -13.613 0.307 1.00 0.00 O ATOM 1051 CB THR A 77 -16.687 -11.430 0.325 1.00 0.00 C ATOM 1052 OG1 THR A 77 -17.276 -11.618 1.618 1.00 0.00 O ATOM 1053 CG2 THR A 77 -17.088 -12.592 -0.567 1.00 0.00 C ATOM 0 H THR A 77 -15.046 -11.189 -1.627 1.00 0.00 H new ATOM 0 HA THR A 77 -14.964 -10.473 1.124 1.00 0.00 H new ATOM 0 HB THR A 77 -17.045 -10.505 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.249 -11.687 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.175 -12.638 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.665 -12.450 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.712 -13.523 -0.143 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.205 -12.574 2.287 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.622 -13.730 2.953 1.00 0.00 C ATOM 1063 C VAL A 78 -14.670 -14.812 3.213 1.00 0.00 C ATOM 1064 O VAL A 78 -14.343 -15.930 3.617 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.944 -13.306 4.272 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -13.973 -12.945 5.337 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -11.987 -14.378 4.773 1.00 0.00 C ATOM 0 H VAL A 78 -14.286 -11.748 2.880 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.867 -14.152 2.290 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.358 -12.411 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.461 -12.651 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.588 -12.117 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.608 -13.808 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.526 -14.048 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.536 -15.303 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.212 -14.552 4.026 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.929 -14.481 2.963 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.019 -15.426 3.160 1.00 0.00 C ATOM 1079 C ASP A 79 -16.972 -16.529 2.104 1.00 0.00 C ATOM 1080 O ASP A 79 -17.459 -17.642 2.322 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.363 -14.703 3.106 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.529 -15.643 3.331 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.754 -16.048 4.491 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -20.224 -15.979 2.352 1.00 0.00 O ATOM 0 H ASP A 79 -16.221 -13.565 2.623 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.904 -15.883 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.381 -13.917 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.473 -14.216 2.137 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.367 -16.218 0.964 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.263 -17.193 -0.109 1.00 0.00 C ATOM 1090 C GLY A 80 -15.042 -16.981 -0.988 1.00 0.00 C ATOM 1091 O GLY A 80 -14.493 -17.932 -1.543 1.00 0.00 O ATOM 0 H GLY A 80 -15.947 -15.311 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.226 -18.194 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.161 -17.144 -0.725 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.614 -15.733 -1.112 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.455 -15.417 -1.924 1.00 0.00 C ATOM 1097 C GLY A 81 -13.839 -14.785 -3.242 1.00 0.00 C ATOM 1098 O GLY A 81 -13.039 -14.733 -4.173 1.00 0.00 O ATOM 0 H GLY A 81 -15.051 -14.929 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.802 -14.739 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.885 -16.327 -2.111 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.067 -14.300 -3.313 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.582 -13.679 -4.533 1.00 0.00 C ATOM 1104 C PHE A 82 -15.806 -12.196 -4.299 1.00 0.00 C ATOM 1105 O PHE A 82 -16.031 -11.803 -3.159 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.887 -14.359 -4.969 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.864 -14.583 -3.846 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.803 -13.618 -3.516 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.834 -15.760 -3.114 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.690 -13.825 -2.473 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.719 -15.972 -2.076 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.646 -15.004 -1.753 1.00 0.00 C ATOM 0 H PHE A 82 -15.732 -14.322 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.850 -13.803 -5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.364 -13.749 -5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.649 -15.319 -5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.843 -12.696 -4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.108 -16.521 -3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.416 -13.066 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.685 -16.896 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.337 -15.167 -0.939 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.748 -11.383 -5.360 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.962 -9.939 -5.235 1.00 0.00 C ATOM 1123 C ARG A 83 -15.593 -9.190 -6.513 1.00 0.00 C ATOM 1124 O ARG A 83 -15.664 -9.737 -7.614 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.137 -9.385 -4.096 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.864 -8.378 -3.230 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.865 -9.065 -2.312 1.00 0.00 C ATOM 1128 NE ARG A 83 -18.167 -9.246 -2.944 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.332 -9.042 -2.328 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.361 -8.623 -1.067 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.468 -9.245 -2.979 1.00 0.00 N ATOM 0 H ARG A 83 -15.555 -11.700 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.025 -9.793 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.804 -10.212 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.243 -8.915 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.143 -7.819 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.382 -7.657 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.472 -10.036 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.984 -8.475 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.188 -9.548 -3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.489 -8.456 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.255 -8.469 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.451 -9.557 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.360 -9.089 -2.509 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.168 -7.941 -6.339 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.820 -7.067 -7.449 1.00 0.00 C ATOM 1144 C GLU A 84 -13.443 -6.448 -7.228 1.00 0.00 C ATOM 1145 O GLU A 84 -12.996 -6.314 -6.094 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.881 -5.967 -7.558 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.669 -5.005 -8.710 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.691 -5.703 -10.052 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -14.637 -6.225 -10.476 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -16.766 -5.741 -10.689 1.00 0.00 O ATOM 0 H GLU A 84 -15.056 -7.509 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.788 -7.645 -8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.860 -6.433 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.898 -5.401 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.444 -4.239 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.714 -4.495 -8.584 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.781 -6.069 -8.314 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.459 -5.463 -8.234 1.00 0.00 C ATOM 1157 C ARG A 85 -11.589 -3.961 -8.026 1.00 0.00 C ATOM 1158 O ARG A 85 -12.505 -3.331 -8.557 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.662 -5.744 -9.506 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.205 -5.320 -9.429 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.489 -5.569 -10.744 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.084 -5.172 -10.693 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.482 -4.444 -11.635 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.180 -3.953 -12.653 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.184 -4.184 -11.550 1.00 0.00 N ATOM 0 H ARG A 85 -13.140 -6.171 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.928 -5.899 -7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.708 -6.811 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.136 -5.228 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.145 -4.262 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.706 -5.869 -8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.557 -6.627 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.992 -5.018 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.530 -5.469 -9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.182 -4.132 -12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.714 -3.397 -13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.643 -4.541 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.727 -3.627 -12.272 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.656 -3.395 -7.277 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.670 -1.964 -6.967 1.00 0.00 C ATOM 1178 C GLN A 86 -9.259 -1.428 -6.723 1.00 0.00 C ATOM 1179 O GLN A 86 -8.267 -2.122 -6.954 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.546 -1.693 -5.736 1.00 0.00 C ATOM 1181 CG GLN A 86 -13.036 -1.631 -6.044 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.893 -1.431 -4.809 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.463 -1.989 -3.689 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -14.948 -0.799 -4.866 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.873 -3.904 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.087 -1.446 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.369 -2.474 -4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.238 -0.750 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.222 -0.816 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.336 -2.553 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.246 -0.383 -5.748 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.524 -0.691 -4.031 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.182 -0.185 -6.260 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.906 0.441 -5.981 1.00 0.00 C ATOM 1193 C GLY A 87 -8.006 1.392 -4.807 1.00 0.00 C ATOM 1194 O GLY A 87 -9.060 1.987 -4.583 1.00 0.00 O ATOM 0 H GLY A 87 -9.992 0.405 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.161 -0.326 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.564 0.983 -6.863 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.921 1.544 -4.059 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.914 2.422 -2.897 1.00 0.00 C ATOM 1200 C ILE A 88 -5.693 3.347 -2.919 1.00 0.00 C ATOM 1201 O ILE A 88 -4.570 2.911 -3.185 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.949 1.598 -1.584 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.890 2.519 -0.365 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.815 0.579 -1.549 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.019 1.784 0.950 1.00 0.00 C ATOM 0 H ILE A 88 -6.035 1.071 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.811 3.040 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.892 1.052 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.947 3.065 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.687 3.259 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.862 0.014 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.913 -0.104 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.858 1.097 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.969 2.498 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.974 1.260 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.207 1.063 1.045 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.928 4.633 -2.669 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.855 5.628 -2.661 1.00 0.00 C ATOM 1218 C ASP A 89 -4.029 5.516 -1.391 1.00 0.00 C ATOM 1219 O ASP A 89 -4.573 5.357 -0.296 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.413 7.052 -2.792 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.865 7.381 -4.201 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.040 7.882 -4.994 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.049 7.140 -4.523 1.00 0.00 O ATOM 0 H ASP A 89 -6.853 5.012 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.217 5.427 -3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.254 7.172 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.649 7.766 -2.485 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.717 5.615 -1.538 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.810 5.515 -0.406 1.00 0.00 C ATOM 1229 C LEU A 90 -1.344 6.893 0.017 1.00 0.00 C ATOM 1230 O LEU A 90 -0.184 7.099 0.366 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.609 4.665 -0.771 1.00 0.00 C ATOM 1232 CG LEU A 90 -0.945 3.318 -1.387 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.333 2.614 -1.768 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.768 2.475 -0.427 1.00 0.00 C ATOM 0 H LEU A 90 -2.255 5.765 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.343 5.048 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.014 5.223 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.012 4.500 0.126 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.547 3.472 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.097 1.646 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.881 3.220 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.946 2.467 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.997 1.515 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.202 2.310 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.697 2.994 -0.191 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.270 7.828 -0.005 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.987 9.216 0.363 1.00 0.00 C ATOM 1247 C ASN A 91 -1.826 9.350 1.874 1.00 0.00 C ATOM 1248 O ASN A 91 -1.583 10.436 2.394 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.102 10.141 -0.140 1.00 0.00 C ATOM 1250 CG ASN A 91 -3.083 10.347 -1.649 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.575 9.374 -2.391 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -3.511 11.389 -2.145 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.239 7.658 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.050 9.512 -0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.067 9.726 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.011 11.109 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.896 12.119 -1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.481 11.523 -3.156 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.964 8.230 2.565 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.832 8.188 4.011 1.00 0.00 C ATOM 1260 C ARG A 92 -0.431 7.760 4.416 1.00 0.00 C ATOM 1261 O ARG A 92 -0.044 7.873 5.577 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.840 7.213 4.607 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.272 7.692 4.554 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.105 6.967 5.589 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.777 7.396 6.947 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.628 7.342 7.969 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.862 6.884 7.787 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.246 7.754 9.170 1.00 0.00 N ATOM 0 H ARG A 92 -2.170 7.326 2.140 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.023 9.192 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.767 6.263 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.572 7.020 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.310 8.766 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.684 7.520 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.162 7.148 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.944 5.893 5.498 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.840 7.759 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.159 6.573 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.512 6.844 8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.301 8.112 9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.897 7.713 9.954 1.00 0.00 H new ATOM 1279 N ILE A 93 0.328 7.259 3.459 1.00 0.00 N ATOM 1280 CA ILE A 93 1.677 6.802 3.734 1.00 0.00 C ATOM 1281 C ILE A 93 2.663 7.884 3.328 1.00 0.00 C ATOM 1282 O ILE A 93 2.758 8.241 2.154 1.00 0.00 O ATOM 1283 CB ILE A 93 1.980 5.477 2.995 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.828 4.491 3.200 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.282 4.859 3.491 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.505 4.241 4.661 1.00 0.00 C ATOM 0 H ILE A 93 0.034 7.158 2.487 1.00 0.00 H new ATOM 0 HA ILE A 93 1.774 6.607 4.802 1.00 0.00 H new ATOM 0 HB ILE A 93 2.087 5.696 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.061 4.873 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.081 3.544 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.471 3.929 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.104 5.553 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.203 4.653 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.321 3.533 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.381 3.830 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.222 5.180 5.137 1.00 0.00 H new ATOM 1297 N GLN A 94 3.360 8.437 4.307 1.00 0.00 N ATOM 1298 CA GLN A 94 4.312 9.500 4.051 1.00 0.00 C ATOM 1299 C GLN A 94 5.642 9.243 4.743 1.00 0.00 C ATOM 1300 O GLN A 94 5.716 8.507 5.723 1.00 0.00 O ATOM 1301 CB GLN A 94 3.735 10.828 4.522 1.00 0.00 C ATOM 1302 CG GLN A 94 2.446 11.201 3.817 1.00 0.00 C ATOM 1303 CD GLN A 94 2.217 12.689 3.795 1.00 0.00 C ATOM 1304 OE1 GLN A 94 1.567 13.253 4.675 1.00 0.00 O ATOM 1305 NE2 GLN A 94 2.782 13.332 2.792 1.00 0.00 N ATOM 0 H GLN A 94 3.283 8.165 5.287 1.00 0.00 H new ATOM 0 HA GLN A 94 4.496 9.534 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.553 10.778 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.471 11.615 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.472 10.824 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.608 10.714 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.311 12.816 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.691 14.345 2.720 1.00 0.00 H new ATOM 1312 N ASN A 95 6.691 9.851 4.214 1.00 0.00 N ATOM 1313 CA ASN A 95 8.027 9.715 4.770 1.00 0.00 C ATOM 1314 C ASN A 95 8.421 10.979 5.530 1.00 0.00 C ATOM 1315 O ASN A 95 8.255 12.091 5.034 1.00 0.00 O ATOM 1316 CB ASN A 95 9.060 9.425 3.670 1.00 0.00 C ATOM 1317 CG ASN A 95 9.118 10.493 2.583 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.100 11.065 2.190 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.317 10.773 2.097 1.00 0.00 N ATOM 0 H ASN A 95 6.641 10.450 3.390 1.00 0.00 H new ATOM 0 HA ASN A 95 8.014 8.872 5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.045 9.330 4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.828 8.464 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.420 11.483 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.137 10.278 2.447 1.00 0.00 H new ATOM 1325 N VAL A 96 8.932 10.808 6.739 1.00 0.00 N ATOM 1326 CA VAL A 96 9.350 11.935 7.553 1.00 0.00 C ATOM 1327 C VAL A 96 10.852 11.872 7.766 1.00 0.00 C ATOM 1328 O VAL A 96 11.352 10.966 8.425 1.00 0.00 O ATOM 1329 CB VAL A 96 8.633 11.955 8.919 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.002 13.205 9.703 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.126 11.861 8.734 1.00 0.00 C ATOM 0 H VAL A 96 9.067 9.897 7.178 1.00 0.00 H new ATOM 0 HA VAL A 96 9.081 12.850 7.025 1.00 0.00 H new ATOM 0 HB VAL A 96 8.962 11.087 9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.485 13.198 10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.079 13.225 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.707 14.089 9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.638 11.877 9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.779 12.707 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.880 10.932 8.220 1.00 0.00 H new ATOM 1341 N ASN A 97 11.567 12.817 7.173 1.00 0.00 N ATOM 1342 CA ASN A 97 13.028 12.879 7.268 1.00 0.00 C ATOM 1343 C ASN A 97 13.687 11.600 6.751 1.00 0.00 C ATOM 1344 O ASN A 97 14.834 11.311 7.077 1.00 0.00 O ATOM 1345 CB ASN A 97 13.482 13.163 8.706 1.00 0.00 C ATOM 1346 CG ASN A 97 13.356 14.628 9.081 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.195 15.017 9.580 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.296 15.403 8.921 1.00 0.00 N flip ATOM 0 H ASN A 97 11.157 13.564 6.612 1.00 0.00 H new ATOM 0 HA ASN A 97 13.349 13.704 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.888 12.563 9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.519 12.850 8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.176 15.064 8.533 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.196 16.385 9.176 1.00 0.00 H new ATOM 1354 N GLY A 98 12.953 10.829 5.955 1.00 0.00 N ATOM 1355 CA GLY A 98 13.501 9.610 5.396 1.00 0.00 C ATOM 1356 C GLY A 98 12.778 8.350 5.839 1.00 0.00 C ATOM 1357 O GLY A 98 12.743 7.366 5.106 1.00 0.00 O ATOM 0 H GLY A 98 11.989 11.028 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.467 9.673 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.551 9.533 5.678 1.00 0.00 H new ATOM 1361 N ARG A 99 12.187 8.374 7.025 1.00 0.00 N ATOM 1362 CA ARG A 99 11.490 7.198 7.538 1.00 0.00 C ATOM 1363 C ARG A 99 10.045 7.170 7.062 1.00 0.00 C ATOM 1364 O ARG A 99 9.398 8.203 6.973 1.00 0.00 O ATOM 1365 CB ARG A 99 11.537 7.167 9.068 1.00 0.00 C ATOM 1366 CG ARG A 99 10.705 8.240 9.755 1.00 0.00 C ATOM 1367 CD ARG A 99 11.545 9.070 10.710 1.00 0.00 C ATOM 1368 NE ARG A 99 12.246 8.248 11.695 1.00 0.00 N ATOM 1369 CZ ARG A 99 12.696 8.704 12.860 1.00 0.00 C ATOM 1370 NH1 ARG A 99 12.496 9.967 13.213 1.00 0.00 N ATOM 1371 NH2 ARG A 99 13.346 7.897 13.682 1.00 0.00 N ATOM 0 H ARG A 99 12.174 9.183 7.646 1.00 0.00 H new ATOM 0 HA ARG A 99 11.999 6.315 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.195 6.189 9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.574 7.271 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.257 8.890 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.886 7.772 10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.272 9.649 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.904 9.784 11.227 1.00 0.00 H new ATOM 0 HE ARG A 99 12.399 7.264 11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.993 10.598 12.589 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.845 10.308 14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.503 6.923 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.691 8.249 14.575 1.00 0.00 H new ATOM 1382 N LEU A 100 9.542 5.986 6.753 1.00 0.00 N ATOM 1383 CA LEU A 100 8.171 5.852 6.291 1.00 0.00 C ATOM 1384 C LEU A 100 7.240 5.694 7.489 1.00 0.00 C ATOM 1385 O LEU A 100 7.449 4.831 8.343 1.00 0.00 O ATOM 1386 CB LEU A 100 8.044 4.662 5.337 1.00 0.00 C ATOM 1387 CG LEU A 100 7.010 4.837 4.224 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.352 6.042 3.372 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.940 3.592 3.356 1.00 0.00 C ATOM 0 H LEU A 100 10.059 5.109 6.813 1.00 0.00 H new ATOM 0 HA LEU A 100 7.886 6.751 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.017 4.473 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.786 3.776 5.917 1.00 0.00 H new ATOM 0 HG LEU A 100 6.036 4.995 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.607 6.154 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.359 6.937 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.336 5.903 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.198 3.737 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.915 3.408 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.656 2.737 3.969 1.00 0.00 H new ATOM 1400 N VAL A 101 6.231 6.548 7.561 1.00 0.00 N ATOM 1401 CA VAL A 101 5.283 6.528 8.666 1.00 0.00 C ATOM 1402 C VAL A 101 3.847 6.560 8.155 1.00 0.00 C ATOM 1403 O VAL A 101 3.540 7.257 7.185 1.00 0.00 O ATOM 1404 CB VAL A 101 5.491 7.750 9.594 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.621 7.646 10.837 1.00 0.00 C ATOM 1406 CG2 VAL A 101 6.957 7.909 9.980 1.00 0.00 C ATOM 0 H VAL A 101 6.046 7.268 6.863 1.00 0.00 H new ATOM 0 HA VAL A 101 5.458 5.606 9.220 1.00 0.00 H new ATOM 0 HB VAL A 101 5.190 8.638 9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.787 8.517 11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.572 7.605 10.544 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.880 6.742 11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.070 8.775 10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.294 7.015 10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.557 8.051 9.081 1.00 0.00 H new ATOM 1416 N PHE A 102 2.975 5.794 8.797 1.00 0.00 N ATOM 1417 CA PHE A 102 1.570 5.786 8.429 1.00 0.00 C ATOM 1418 C PHE A 102 0.895 6.972 9.087 1.00 0.00 C ATOM 1419 O PHE A 102 1.073 7.211 10.282 1.00 0.00 O ATOM 1420 CB PHE A 102 0.873 4.489 8.854 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.625 4.633 8.977 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.431 4.796 7.853 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.226 4.626 10.226 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.796 4.941 7.981 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.593 4.774 10.356 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.378 4.930 9.233 1.00 0.00 C ATOM 0 H PHE A 102 3.216 5.174 9.570 1.00 0.00 H new ATOM 0 HA PHE A 102 1.495 5.851 7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.098 3.708 8.128 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.280 4.162 9.811 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.982 4.809 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.617 4.503 11.109 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.411 5.063 7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.047 4.768 11.336 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.447 5.044 9.333 1.00 0.00 H new ATOM 1435 N GLN A 103 0.140 7.718 8.315 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.538 8.883 8.835 1.00 0.00 C ATOM 1437 C GLN A 103 -2.011 8.885 8.444 1.00 0.00 C ATOM 1438 O GLN A 103 -2.313 8.915 7.237 1.00 0.00 O ATOM 1439 CB GLN A 103 0.174 10.126 8.328 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.340 11.423 8.915 1.00 0.00 C ATOM 1441 CD GLN A 103 0.755 12.462 9.026 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.777 12.331 8.190 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.703 13.347 9.880 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.867 8.874 9.354 1.00 0.00 O ATOM 0 H GLN A 103 -0.021 7.539 7.324 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.505 8.868 9.924 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.237 10.037 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.077 10.169 7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.146 11.810 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.763 11.233 9.902 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.103 13.409 10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.466 14.018 9.966 1.00 0.00 H new