USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 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 16 LYS NZ :NH3+ 179:sc= -0.775! (180deg=-1.44!) USER MOD Set 1.2: A 47 ASN : amide:sc= -4.08! C(o=-4.9!,f=-20!) USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.0811 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.0141 (180deg=-0.324) USER MOD Single : A 5 THR OG1 : rot -126:sc= -1.01 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -88:sc= -0.566 USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -2.35! (180deg=-7.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 29 SER OG : rot -82:sc= 0.906 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 0.602 (180deg=0.256) USER MOD Single : A 41 THR OG1 : rot -78:sc= -0.494 USER MOD Single : A 46 MET CE :methyl -170:sc= -0.285 (180deg=-0.578) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.479 F(o=-2!,f=-0.48) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.495 F(o=-2!,f=-0.49) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 130:sc= 0.15 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.78! C(o=-8.4!,f=-1.8!) USER MOD Single : A 69 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.45) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.0269 (180deg=-0.359) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot -40:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.158 -7.651 1.453 1.00 1.00 N ATOM 2 CA ALA A 1 -9.436 -7.486 0.159 1.00 1.00 C ATOM 3 C ALA A 1 -9.081 -8.861 -0.397 1.00 1.00 C ATOM 4 O ALA A 1 -8.949 -9.828 0.348 1.00 1.00 O ATOM 5 CB ALA A 1 -8.162 -6.669 0.387 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.168 -7.446 1.315 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.045 -8.628 1.791 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.764 -6.994 2.156 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.072 -6.962 -0.555 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.633 -6.548 -0.559 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.425 -5.689 0.784 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.519 -7.188 1.098 1.00 1.00 H new ATOM 13 N LYS A 2 -8.923 -8.938 -1.710 1.00 1.00 N ATOM 14 CA LYS A 2 -8.581 -10.202 -2.360 1.00 1.00 C ATOM 15 C LYS A 2 -7.068 -10.398 -2.366 1.00 1.00 C ATOM 16 O LYS A 2 -6.309 -9.467 -2.107 1.00 1.00 O ATOM 17 CB LYS A 2 -9.107 -10.209 -3.804 1.00 1.00 C ATOM 18 CG LYS A 2 -9.052 -8.779 -4.380 1.00 1.00 C ATOM 19 CD LYS A 2 -10.397 -8.078 -4.147 1.00 1.00 C ATOM 20 CE LYS A 2 -10.348 -6.675 -4.741 1.00 1.00 C ATOM 21 NZ LYS A 2 -11.686 -6.038 -4.610 1.00 1.00 N ATOM 0 H LYS A 2 -9.025 -8.147 -2.346 1.00 1.00 H new ATOM 0 HA LYS A 2 -9.044 -11.017 -1.804 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.508 -10.882 -4.417 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.131 -10.583 -3.827 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.249 -8.215 -3.904 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.829 -8.814 -5.446 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -11.202 -8.651 -4.606 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -10.612 -8.025 -3.080 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.596 -6.076 -4.227 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.056 -6.722 -5.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.656 -5.080 -5.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.393 -6.607 -5.119 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.946 -5.981 -3.605 1.00 1.00 H new ATOM 35 N LYS A 3 -6.639 -11.610 -2.677 1.00 1.00 N ATOM 36 CA LYS A 3 -5.215 -11.923 -2.719 1.00 1.00 C ATOM 37 C LYS A 3 -4.526 -11.138 -3.831 1.00 1.00 C ATOM 38 O LYS A 3 -3.326 -10.880 -3.765 1.00 1.00 O ATOM 39 CB LYS A 3 -5.016 -13.425 -2.954 1.00 1.00 C ATOM 40 CG LYS A 3 -6.020 -13.918 -4.024 1.00 1.00 C ATOM 41 CD LYS A 3 -7.187 -14.634 -3.342 1.00 1.00 C ATOM 42 CE LYS A 3 -8.228 -15.020 -4.388 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.646 -16.032 -5.313 1.00 1.00 N ATOM 0 H LYS A 3 -7.252 -12.393 -2.904 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.773 -11.642 -1.763 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.995 -13.620 -3.281 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.163 -13.972 -2.023 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.389 -13.074 -4.607 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.523 -14.593 -4.720 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.829 -15.524 -2.824 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.635 -13.986 -2.589 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -9.116 -15.423 -3.902 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.543 -14.139 -4.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.411 -16.506 -5.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.008 -15.561 -5.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -7.112 -16.737 -4.765 1.00 1.00 H new ATOM 57 N GLU A 4 -5.293 -10.769 -4.853 1.00 1.00 N ATOM 58 CA GLU A 4 -4.739 -10.018 -5.972 1.00 1.00 C ATOM 59 C GLU A 4 -4.339 -8.614 -5.530 1.00 1.00 C ATOM 60 O GLU A 4 -3.274 -8.119 -5.893 1.00 1.00 O ATOM 61 CB GLU A 4 -5.769 -9.926 -7.099 1.00 1.00 C ATOM 62 CG GLU A 4 -5.148 -9.216 -8.304 1.00 1.00 C ATOM 63 CD GLU A 4 -6.126 -9.222 -9.474 1.00 1.00 C ATOM 64 OE1 GLU A 4 -7.082 -9.978 -9.417 1.00 1.00 O ATOM 65 OE2 GLU A 4 -5.903 -8.474 -10.411 1.00 1.00 O ATOM 0 H GLU A 4 -6.289 -10.976 -4.929 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.852 -10.539 -6.332 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.102 -10.924 -7.384 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.649 -9.382 -6.757 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.891 -8.190 -8.039 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.221 -9.713 -8.591 1.00 1.00 H new ATOM 72 N THR A 5 -5.201 -7.980 -4.741 1.00 1.00 N ATOM 73 CA THR A 5 -4.928 -6.632 -4.262 1.00 1.00 C ATOM 74 C THR A 5 -3.659 -6.608 -3.419 1.00 1.00 C ATOM 75 O THR A 5 -2.811 -5.730 -3.581 1.00 1.00 O ATOM 76 CB THR A 5 -6.105 -6.132 -3.416 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.277 -6.102 -4.217 1.00 1.00 O ATOM 78 CG2 THR A 5 -5.803 -4.726 -2.899 1.00 1.00 C ATOM 0 H THR A 5 -6.086 -8.375 -4.423 1.00 1.00 H new ATOM 0 HA THR A 5 -4.792 -5.982 -5.126 1.00 1.00 H new ATOM 0 HB THR A 5 -6.257 -6.802 -2.570 1.00 1.00 H new ATOM 0 HG1 THR A 5 -7.678 -5.209 -4.176 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.640 -4.372 -2.298 1.00 1.00 H new ATOM 0 HG22 THR A 5 -4.901 -4.749 -2.287 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.652 -4.053 -3.743 1.00 1.00 H new ATOM 86 N ILE A 6 -3.527 -7.583 -2.528 1.00 1.00 N ATOM 87 CA ILE A 6 -2.357 -7.658 -1.662 1.00 1.00 C ATOM 88 C ILE A 6 -1.093 -7.836 -2.497 1.00 1.00 C ATOM 89 O ILE A 6 -0.072 -7.197 -2.238 1.00 1.00 O ATOM 90 CB ILE A 6 -2.497 -8.839 -0.699 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.831 -8.733 0.046 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.348 -8.814 0.315 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.020 -9.965 0.937 1.00 1.00 C ATOM 0 H ILE A 6 -4.210 -8.327 -2.387 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.284 -6.730 -1.094 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.465 -9.771 -1.263 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.850 -7.827 0.652 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.652 -8.657 -0.667 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.449 -9.656 1.000 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.396 -8.887 -0.212 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.380 -7.882 0.879 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.970 -9.889 1.467 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.020 -10.864 0.320 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.205 -10.020 1.659 1.00 1.00 H new ATOM 105 N ASP A 7 -1.164 -8.708 -3.492 1.00 1.00 N ATOM 106 CA ASP A 7 -0.019 -8.961 -4.359 1.00 1.00 C ATOM 107 C ASP A 7 0.362 -7.700 -5.125 1.00 1.00 C ATOM 108 O ASP A 7 1.543 -7.387 -5.278 1.00 1.00 O ATOM 109 CB ASP A 7 -0.346 -10.080 -5.347 1.00 1.00 C ATOM 110 CG ASP A 7 -0.394 -11.420 -4.619 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.013 -11.456 -3.461 1.00 1.00 O ATOM 112 OD2 ASP A 7 -0.813 -12.390 -5.231 1.00 1.00 O ATOM 0 H ASP A 7 -1.997 -9.251 -3.720 1.00 1.00 H new ATOM 0 HA ASP A 7 0.823 -9.263 -3.736 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.304 -9.883 -5.828 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.406 -10.112 -6.135 1.00 1.00 H new ATOM 117 N LYS A 8 -0.640 -6.986 -5.623 1.00 1.00 N ATOM 118 CA LYS A 8 -0.390 -5.771 -6.390 1.00 1.00 C ATOM 119 C LYS A 8 0.283 -4.712 -5.536 1.00 1.00 C ATOM 120 O LYS A 8 1.312 -4.160 -5.916 1.00 1.00 O ATOM 121 CB LYS A 8 -1.709 -5.220 -6.924 1.00 1.00 C ATOM 122 CG LYS A 8 -2.409 -6.300 -7.793 1.00 1.00 C ATOM 123 CD LYS A 8 -2.382 -5.886 -9.268 1.00 1.00 C ATOM 124 CE LYS A 8 -3.434 -4.799 -9.514 1.00 1.00 C ATOM 125 NZ LYS A 8 -3.603 -4.600 -10.975 1.00 1.00 N ATOM 0 H LYS A 8 -1.626 -7.224 -5.511 1.00 1.00 H new ATOM 0 HA LYS A 8 0.273 -6.024 -7.217 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.356 -4.929 -6.096 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.527 -4.323 -7.516 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.908 -7.260 -7.667 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.439 -6.432 -7.463 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -1.392 -5.516 -9.535 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -2.581 -6.750 -9.903 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.383 -5.087 -9.063 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.127 -3.866 -9.042 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.317 -3.863 -11.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -2.697 -4.307 -11.393 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -3.914 -5.490 -11.413 1.00 1.00 H new ATOM 139 N VAL A 9 -0.306 -4.440 -4.383 1.00 1.00 N ATOM 140 CA VAL A 9 0.247 -3.441 -3.478 1.00 1.00 C ATOM 141 C VAL A 9 1.613 -3.881 -2.963 1.00 1.00 C ATOM 142 O VAL A 9 2.562 -3.103 -2.951 1.00 1.00 O ATOM 143 CB VAL A 9 -0.697 -3.226 -2.294 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.077 -2.226 -1.315 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.034 -2.678 -2.799 1.00 1.00 C ATOM 0 H VAL A 9 -1.159 -4.891 -4.052 1.00 1.00 H new ATOM 0 HA VAL A 9 0.360 -2.507 -4.028 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.860 -4.177 -1.787 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.752 -2.075 -0.473 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.875 -2.614 -0.952 1.00 1.00 H new ATOM 0 HG13 VAL A 9 0.089 -1.275 -1.822 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.707 -2.525 -1.955 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -1.869 -1.729 -3.308 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.480 -3.390 -3.494 1.00 1.00 H new ATOM 155 N SER A 10 1.705 -5.130 -2.532 1.00 1.00 N ATOM 156 CA SER A 10 2.956 -5.656 -2.003 1.00 1.00 C ATOM 157 C SER A 10 4.063 -5.575 -3.047 1.00 1.00 C ATOM 158 O SER A 10 5.193 -5.199 -2.734 1.00 1.00 O ATOM 159 CB SER A 10 2.771 -7.113 -1.578 1.00 1.00 C ATOM 160 OG SER A 10 2.355 -7.883 -2.693 1.00 1.00 O ATOM 0 H SER A 10 0.933 -5.796 -2.538 1.00 1.00 H new ATOM 0 HA SER A 10 3.240 -5.053 -1.141 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.705 -7.508 -1.179 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.031 -7.179 -0.781 1.00 1.00 H new ATOM 0 HG SER A 10 1.378 -7.857 -2.762 1.00 1.00 H new ATOM 166 N ASP A 11 3.731 -5.926 -4.279 1.00 1.00 N ATOM 167 CA ASP A 11 4.707 -5.896 -5.357 1.00 1.00 C ATOM 168 C ASP A 11 5.259 -4.490 -5.553 1.00 1.00 C ATOM 169 O ASP A 11 6.460 -4.297 -5.703 1.00 1.00 O ATOM 170 CB ASP A 11 4.066 -6.375 -6.658 1.00 1.00 C ATOM 171 CG ASP A 11 5.136 -6.615 -7.720 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.964 -7.489 -7.515 1.00 1.00 O ATOM 173 OD2 ASP A 11 5.115 -5.918 -8.722 1.00 1.00 O ATOM 0 H ASP A 11 2.799 -6.233 -4.557 1.00 1.00 H new ATOM 0 HA ASP A 11 5.528 -6.560 -5.087 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.509 -7.295 -6.480 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.351 -5.633 -7.014 1.00 1.00 H new ATOM 178 N ILE A 12 4.373 -3.517 -5.578 1.00 1.00 N ATOM 179 CA ILE A 12 4.775 -2.131 -5.765 1.00 1.00 C ATOM 180 C ILE A 12 5.534 -1.620 -4.551 1.00 1.00 C ATOM 181 O ILE A 12 6.519 -0.907 -4.680 1.00 1.00 O ATOM 182 CB ILE A 12 3.542 -1.257 -5.997 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.848 -1.685 -7.303 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.969 0.216 -6.120 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.401 -1.193 -7.300 1.00 1.00 C ATOM 0 H ILE A 12 3.368 -3.656 -5.472 1.00 1.00 H new ATOM 0 HA ILE A 12 5.430 -2.081 -6.635 1.00 1.00 H new ATOM 0 HB ILE A 12 2.857 -1.374 -5.157 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.380 -1.275 -8.161 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.873 -2.770 -7.401 1.00 1.00 H new ATOM 0 HG21 ILE A 12 3.089 0.837 -6.285 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.467 0.528 -5.202 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.655 0.327 -6.960 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.911 -1.497 -8.225 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.872 -1.625 -6.451 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.386 -0.106 -7.222 1.00 1.00 H new ATOM 197 N VAL A 13 5.037 -1.950 -3.371 1.00 1.00 N ATOM 198 CA VAL A 13 5.653 -1.470 -2.136 1.00 1.00 C ATOM 199 C VAL A 13 7.110 -1.906 -2.036 1.00 1.00 C ATOM 200 O VAL A 13 7.994 -1.071 -1.856 1.00 1.00 O ATOM 201 CB VAL A 13 4.876 -2.008 -0.927 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.669 -1.748 0.361 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.513 -1.302 -0.832 1.00 1.00 C ATOM 0 H VAL A 13 4.217 -2.542 -3.237 1.00 1.00 H new ATOM 0 HA VAL A 13 5.621 -0.380 -2.145 1.00 1.00 H new ATOM 0 HB VAL A 13 4.726 -3.081 -1.051 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.112 -2.132 1.215 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.634 -2.251 0.302 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.825 -0.676 0.482 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.963 -1.686 0.027 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.666 -0.229 -0.715 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.942 -1.490 -1.741 1.00 1.00 H new ATOM 213 N LYS A 14 7.342 -3.208 -2.143 1.00 1.00 N ATOM 214 CA LYS A 14 8.690 -3.735 -2.045 1.00 1.00 C ATOM 215 C LYS A 14 9.547 -3.223 -3.194 1.00 1.00 C ATOM 216 O LYS A 14 10.757 -3.084 -3.052 1.00 1.00 O ATOM 217 CB LYS A 14 8.648 -5.257 -2.059 1.00 1.00 C ATOM 218 CG LYS A 14 8.125 -5.742 -3.408 1.00 1.00 C ATOM 219 CD LYS A 14 7.552 -7.164 -3.271 1.00 1.00 C ATOM 220 CE LYS A 14 7.776 -7.940 -4.570 1.00 1.00 C ATOM 221 NZ LYS A 14 7.734 -6.999 -5.727 1.00 1.00 N ATOM 0 H LYS A 14 6.619 -3.911 -2.296 1.00 1.00 H new ATOM 0 HA LYS A 14 9.133 -3.397 -1.108 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.644 -5.660 -1.878 1.00 1.00 H new ATOM 0 HB3 LYS A 14 8.006 -5.621 -1.257 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.354 -5.064 -3.773 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.930 -5.735 -4.143 1.00 1.00 H new ATOM 0 HD2 LYS A 14 8.032 -7.681 -2.440 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.487 -7.117 -3.044 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.738 -8.452 -4.539 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.010 -8.707 -4.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 7.169 -7.417 -6.494 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 7.302 -6.101 -5.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.701 -6.822 -6.066 1.00 1.00 H new ATOM 235 N GLU A 15 8.911 -2.959 -4.327 1.00 1.00 N ATOM 236 CA GLU A 15 9.627 -2.455 -5.490 1.00 1.00 C ATOM 237 C GLU A 15 10.253 -1.103 -5.182 1.00 1.00 C ATOM 238 O GLU A 15 11.374 -0.810 -5.595 1.00 1.00 O ATOM 239 CB GLU A 15 8.671 -2.326 -6.678 1.00 1.00 C ATOM 240 CG GLU A 15 9.450 -1.882 -7.917 1.00 1.00 C ATOM 241 CD GLU A 15 8.515 -1.802 -9.118 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.313 -1.836 -8.912 1.00 1.00 O ATOM 243 OE2 GLU A 15 9.015 -1.711 -10.226 1.00 1.00 O ATOM 0 H GLU A 15 7.908 -3.084 -4.465 1.00 1.00 H new ATOM 0 HA GLU A 15 10.419 -3.159 -5.743 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.180 -3.280 -6.868 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.887 -1.603 -6.450 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.911 -0.910 -7.739 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.258 -2.585 -8.120 1.00 1.00 H new ATOM 250 N LYS A 16 9.521 -0.271 -4.453 1.00 1.00 N ATOM 251 CA LYS A 16 10.013 1.051 -4.088 1.00 1.00 C ATOM 252 C LYS A 16 11.052 0.949 -2.983 1.00 1.00 C ATOM 253 O LYS A 16 11.973 1.763 -2.898 1.00 1.00 O ATOM 254 CB LYS A 16 8.861 1.929 -3.618 1.00 1.00 C ATOM 255 CG LYS A 16 7.772 1.982 -4.711 1.00 1.00 C ATOM 256 CD LYS A 16 7.124 3.368 -4.742 1.00 1.00 C ATOM 257 CE LYS A 16 7.943 4.294 -5.640 1.00 1.00 C ATOM 258 NZ LYS A 16 7.986 3.735 -7.020 1.00 1.00 N ATOM 0 H LYS A 16 8.587 -0.487 -4.104 1.00 1.00 H new ATOM 0 HA LYS A 16 10.474 1.498 -4.969 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.443 1.533 -2.692 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.222 2.934 -3.401 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.210 1.755 -5.683 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.015 1.222 -4.518 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.102 3.295 -5.113 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.068 3.778 -3.733 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.501 5.290 -5.653 1.00 1.00 H new ATOM 0 HE3 LYS A 16 8.954 4.399 -5.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.529 4.373 -7.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.442 2.800 -7.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 7.017 3.641 -7.387 1.00 1.00 H new ATOM 272 N LEU A 17 10.880 -0.039 -2.110 1.00 1.00 N ATOM 273 CA LEU A 17 11.795 -0.222 -0.983 1.00 1.00 C ATOM 274 C LEU A 17 12.872 -1.241 -1.322 1.00 1.00 C ATOM 275 O LEU A 17 13.805 -1.449 -0.546 1.00 1.00 O ATOM 276 CB LEU A 17 11.010 -0.694 0.245 1.00 1.00 C ATOM 277 CG LEU A 17 9.838 0.260 0.507 1.00 1.00 C ATOM 278 CD1 LEU A 17 9.038 -0.228 1.718 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.374 1.674 0.784 1.00 1.00 C ATOM 0 H LEU A 17 10.123 -0.721 -2.158 1.00 1.00 H new ATOM 0 HA LEU A 17 12.276 0.732 -0.769 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.639 -1.706 0.084 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.665 -0.729 1.116 1.00 1.00 H new ATOM 0 HG LEU A 17 9.191 0.283 -0.370 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.206 0.451 1.902 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.653 -1.228 1.520 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.685 -0.255 2.595 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.539 2.350 0.970 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.024 1.652 1.658 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.939 2.025 -0.080 1.00 1.00 H new ATOM 291 N ALA A 18 12.733 -1.877 -2.475 1.00 1.00 N ATOM 292 CA ALA A 18 13.697 -2.883 -2.904 1.00 1.00 C ATOM 293 C ALA A 18 13.385 -3.354 -4.317 1.00 1.00 C ATOM 294 O ALA A 18 12.593 -2.739 -5.026 1.00 1.00 O ATOM 295 CB ALA A 18 13.660 -4.080 -1.952 1.00 1.00 C ATOM 0 H ALA A 18 11.967 -1.717 -3.129 1.00 1.00 H new ATOM 0 HA ALA A 18 14.690 -2.435 -2.891 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.383 -4.827 -2.279 1.00 1.00 H new ATOM 0 HB2 ALA A 18 13.910 -3.751 -0.943 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.661 -4.516 -1.954 1.00 1.00 H new ATOM 301 N LEU A 19 14.027 -4.442 -4.729 1.00 1.00 N ATOM 302 CA LEU A 19 13.816 -4.982 -6.068 1.00 1.00 C ATOM 303 C LEU A 19 12.621 -5.916 -6.090 1.00 1.00 C ATOM 304 O LEU A 19 12.012 -6.134 -7.137 1.00 1.00 O ATOM 305 CB LEU A 19 15.074 -5.739 -6.524 1.00 1.00 C ATOM 306 CG LEU A 19 16.149 -4.733 -6.957 1.00 1.00 C ATOM 307 CD1 LEU A 19 15.724 -4.047 -8.273 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.337 -3.674 -5.864 1.00 1.00 C ATOM 0 H LEU A 19 14.693 -4.964 -4.160 1.00 1.00 H new ATOM 0 HA LEU A 19 13.620 -4.154 -6.749 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.450 -6.362 -5.713 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.830 -6.405 -7.351 1.00 1.00 H new ATOM 0 HG LEU A 19 17.089 -5.261 -7.114 1.00 1.00 H new ATOM 0 HD11 LEU A 19 16.491 -3.334 -8.576 1.00 1.00 H new ATOM 0 HD12 LEU A 19 15.600 -4.799 -9.052 1.00 1.00 H new ATOM 0 HD13 LEU A 19 14.780 -3.523 -8.122 1.00 1.00 H new ATOM 0 HD21 LEU A 19 17.101 -2.962 -6.175 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.396 -3.149 -5.701 1.00 1.00 H new ATOM 0 HD23 LEU A 19 16.648 -4.158 -4.938 1.00 1.00 H new ATOM 320 N GLY A 20 12.289 -6.464 -4.928 1.00 1.00 N ATOM 321 CA GLY A 20 11.156 -7.374 -4.823 1.00 1.00 C ATOM 322 C GLY A 20 11.553 -8.786 -5.228 1.00 1.00 C ATOM 323 O GLY A 20 10.705 -9.671 -5.348 1.00 1.00 O ATOM 0 H GLY A 20 12.783 -6.296 -4.052 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.781 -7.377 -3.800 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.343 -7.024 -5.459 1.00 1.00 H new ATOM 327 N ALA A 21 12.848 -8.993 -5.446 1.00 1.00 N ATOM 328 CA ALA A 21 13.347 -10.307 -5.846 1.00 1.00 C ATOM 329 C ALA A 21 13.707 -11.138 -4.622 1.00 1.00 C ATOM 330 O ALA A 21 13.127 -12.196 -4.385 1.00 1.00 O ATOM 331 CB ALA A 21 14.581 -10.146 -6.738 1.00 1.00 C ATOM 0 H ALA A 21 13.567 -8.275 -5.354 1.00 1.00 H new ATOM 0 HA ALA A 21 12.562 -10.821 -6.401 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.948 -11.129 -7.033 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.315 -9.576 -7.628 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.360 -9.618 -6.189 1.00 1.00 H new ATOM 337 N ASP A 22 14.674 -10.656 -3.850 1.00 1.00 N ATOM 338 CA ASP A 22 15.114 -11.366 -2.652 1.00 1.00 C ATOM 339 C ASP A 22 14.337 -10.892 -1.436 1.00 1.00 C ATOM 340 O ASP A 22 14.727 -11.155 -0.297 1.00 1.00 O ATOM 341 CB ASP A 22 16.609 -11.138 -2.425 1.00 1.00 C ATOM 342 CG ASP A 22 17.094 -11.994 -1.259 1.00 1.00 C ATOM 343 OD1 ASP A 22 16.800 -13.178 -1.256 1.00 1.00 O ATOM 344 OD2 ASP A 22 17.752 -11.453 -0.387 1.00 1.00 O ATOM 0 H ASP A 22 15.167 -9.781 -4.030 1.00 1.00 H new ATOM 0 HA ASP A 22 14.929 -12.430 -2.797 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.165 -11.389 -3.328 1.00 1.00 H new ATOM 0 HB3 ASP A 22 16.798 -10.085 -2.217 1.00 1.00 H new ATOM 349 N VAL A 23 13.242 -10.177 -1.677 1.00 1.00 N ATOM 350 CA VAL A 23 12.419 -9.654 -0.584 1.00 1.00 C ATOM 351 C VAL A 23 11.059 -10.332 -0.578 1.00 1.00 C ATOM 352 O VAL A 23 10.409 -10.462 -1.616 1.00 1.00 O ATOM 353 CB VAL A 23 12.236 -8.143 -0.746 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.200 -7.641 0.266 1.00 1.00 C ATOM 355 CG2 VAL A 23 13.571 -7.439 -0.499 1.00 1.00 C ATOM 0 H VAL A 23 12.903 -9.946 -2.611 1.00 1.00 H new ATOM 0 HA VAL A 23 12.923 -9.859 0.360 1.00 1.00 H new ATOM 0 HB VAL A 23 11.891 -7.926 -1.757 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.070 -6.565 0.150 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.248 -8.142 0.091 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.544 -7.858 1.277 1.00 1.00 H new ATOM 0 HG21 VAL A 23 13.442 -6.363 -0.614 1.00 1.00 H new ATOM 0 HG22 VAL A 23 13.916 -7.657 0.512 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.309 -7.795 -1.218 1.00 1.00 H new ATOM 365 N VAL A 24 10.624 -10.764 0.605 1.00 1.00 N ATOM 366 CA VAL A 24 9.330 -11.431 0.744 1.00 1.00 C ATOM 367 C VAL A 24 8.363 -10.541 1.510 1.00 1.00 C ATOM 368 O VAL A 24 8.711 -9.963 2.539 1.00 1.00 O ATOM 369 CB VAL A 24 9.499 -12.757 1.487 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.122 -13.341 1.809 1.00 1.00 C ATOM 371 CG2 VAL A 24 10.275 -13.734 0.603 1.00 1.00 C ATOM 0 H VAL A 24 11.145 -10.665 1.476 1.00 1.00 H new ATOM 0 HA VAL A 24 8.930 -11.625 -0.251 1.00 1.00 H new ATOM 0 HB VAL A 24 10.046 -12.590 2.415 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.242 -14.286 2.339 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.568 -12.642 2.435 1.00 1.00 H new ATOM 0 HG13 VAL A 24 7.573 -13.511 0.883 1.00 1.00 H new ATOM 0 HG21 VAL A 24 10.398 -14.681 1.128 1.00 1.00 H new ATOM 0 HG22 VAL A 24 9.726 -13.902 -0.323 1.00 1.00 H new ATOM 0 HG23 VAL A 24 11.255 -13.317 0.373 1.00 1.00 H new ATOM 381 N VAL A 25 7.144 -10.424 0.992 1.00 1.00 N ATOM 382 CA VAL A 25 6.122 -9.590 1.625 1.00 1.00 C ATOM 383 C VAL A 25 4.947 -10.437 2.090 1.00 1.00 C ATOM 384 O VAL A 25 4.530 -11.371 1.408 1.00 1.00 O ATOM 385 CB VAL A 25 5.629 -8.536 0.638 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.601 -7.626 1.330 1.00 1.00 C ATOM 387 CG2 VAL A 25 6.810 -7.693 0.157 1.00 1.00 C ATOM 0 H VAL A 25 6.839 -10.893 0.139 1.00 1.00 H new ATOM 0 HA VAL A 25 6.567 -9.102 2.492 1.00 1.00 H new ATOM 0 HB VAL A 25 5.163 -9.030 -0.215 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.249 -6.873 0.625 1.00 1.00 H new ATOM 0 HG12 VAL A 25 3.757 -8.225 1.673 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.067 -7.134 2.184 1.00 1.00 H new ATOM 0 HG21 VAL A 25 6.457 -6.940 -0.548 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.277 -7.200 1.010 1.00 1.00 H new ATOM 0 HG23 VAL A 25 7.540 -8.336 -0.334 1.00 1.00 H new ATOM 397 N THR A 26 4.407 -10.095 3.258 1.00 1.00 N ATOM 398 CA THR A 26 3.259 -10.822 3.803 1.00 1.00 C ATOM 399 C THR A 26 2.216 -9.847 4.336 1.00 1.00 C ATOM 400 O THR A 26 2.533 -8.717 4.700 1.00 1.00 O ATOM 401 CB THR A 26 3.723 -11.762 4.928 1.00 1.00 C ATOM 402 OG1 THR A 26 4.770 -11.139 5.654 1.00 1.00 O ATOM 403 CG2 THR A 26 4.219 -13.074 4.329 1.00 1.00 C ATOM 0 H THR A 26 4.740 -9.327 3.841 1.00 1.00 H new ATOM 0 HA THR A 26 2.808 -11.412 3.006 1.00 1.00 H new ATOM 0 HB THR A 26 2.889 -11.970 5.598 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.068 -11.734 6.374 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.547 -13.738 5.129 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.411 -13.548 3.772 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.054 -12.875 3.657 1.00 1.00 H new ATOM 411 N ALA A 27 0.966 -10.298 4.387 1.00 1.00 N ATOM 412 CA ALA A 27 -0.117 -9.464 4.882 1.00 1.00 C ATOM 413 C ALA A 27 0.155 -9.036 6.322 1.00 1.00 C ATOM 414 O ALA A 27 -0.338 -8.002 6.775 1.00 1.00 O ATOM 415 CB ALA A 27 -1.439 -10.232 4.815 1.00 1.00 C ATOM 0 H ALA A 27 0.682 -11.232 4.092 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.183 -8.574 4.256 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.246 -9.601 5.188 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.645 -10.512 3.782 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -1.369 -11.131 5.428 1.00 1.00 H new ATOM 421 N ASP A 28 0.924 -9.844 7.038 1.00 1.00 N ATOM 422 CA ASP A 28 1.242 -9.544 8.434 1.00 1.00 C ATOM 423 C ASP A 28 2.483 -8.664 8.518 1.00 1.00 C ATOM 424 O ASP A 28 2.851 -8.196 9.597 1.00 1.00 O ATOM 425 CB ASP A 28 1.481 -10.842 9.203 1.00 1.00 C ATOM 426 CG ASP A 28 1.483 -10.566 10.704 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.392 -9.406 11.071 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.575 -11.518 11.462 1.00 1.00 O ATOM 0 H ASP A 28 1.338 -10.706 6.683 1.00 1.00 H new ATOM 0 HA ASP A 28 0.400 -9.011 8.876 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.705 -11.567 8.959 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.433 -11.281 8.904 1.00 1.00 H new ATOM 433 N SER A 29 3.130 -8.448 7.380 1.00 1.00 N ATOM 434 CA SER A 29 4.334 -7.629 7.344 1.00 1.00 C ATOM 435 C SER A 29 3.986 -6.157 7.527 1.00 1.00 C ATOM 436 O SER A 29 3.055 -5.646 6.908 1.00 1.00 O ATOM 437 CB SER A 29 5.054 -7.817 6.005 1.00 1.00 C ATOM 438 OG SER A 29 4.533 -6.895 5.055 1.00 1.00 O ATOM 0 H SER A 29 2.844 -8.825 6.476 1.00 1.00 H new ATOM 0 HA SER A 29 4.987 -7.943 8.158 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.125 -7.660 6.130 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.921 -8.838 5.648 1.00 1.00 H new ATOM 0 HG SER A 29 3.708 -7.256 4.667 1.00 1.00 H new ATOM 444 N GLU A 30 4.753 -5.474 8.375 1.00 1.00 N ATOM 445 CA GLU A 30 4.528 -4.051 8.626 1.00 1.00 C ATOM 446 C GLU A 30 5.408 -3.208 7.715 1.00 1.00 C ATOM 447 O GLU A 30 6.548 -3.568 7.428 1.00 1.00 O ATOM 448 CB GLU A 30 4.828 -3.725 10.089 1.00 1.00 C ATOM 449 CG GLU A 30 3.725 -4.297 10.978 1.00 1.00 C ATOM 450 CD GLU A 30 4.088 -4.105 12.446 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.137 -3.540 12.707 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.313 -4.527 13.288 1.00 1.00 O ATOM 0 H GLU A 30 5.530 -5.879 8.897 1.00 1.00 H new ATOM 0 HA GLU A 30 3.484 -3.820 8.416 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.793 -4.143 10.375 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.896 -2.646 10.225 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.778 -3.802 10.761 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.587 -5.357 10.764 1.00 1.00 H new ATOM 459 N PHE A 31 4.873 -2.083 7.261 1.00 1.00 N ATOM 460 CA PHE A 31 5.617 -1.196 6.376 1.00 1.00 C ATOM 461 C PHE A 31 6.949 -0.803 7.002 1.00 1.00 C ATOM 462 O PHE A 31 7.928 -0.564 6.291 1.00 1.00 O ATOM 463 CB PHE A 31 4.795 0.066 6.087 1.00 1.00 C ATOM 464 CG PHE A 31 3.676 -0.266 5.127 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.937 -0.357 3.751 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.377 -0.485 5.607 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.900 -0.665 2.866 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.345 -0.792 4.718 1.00 1.00 C ATOM 469 CZ PHE A 31 1.605 -0.884 3.347 1.00 1.00 C ATOM 0 H PHE A 31 3.932 -1.764 7.489 1.00 1.00 H new ATOM 0 HA PHE A 31 5.810 -1.727 5.444 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.385 0.466 7.015 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.435 0.839 5.662 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.936 -0.190 3.377 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.174 -0.416 6.666 1.00 1.00 H new ATOM 0 HE1 PHE A 31 3.099 -0.734 1.807 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.345 -0.959 5.090 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.807 -1.124 2.660 1.00 1.00 H new ATOM 479 N SER A 32 6.977 -0.727 8.323 1.00 1.00 N ATOM 480 CA SER A 32 8.196 -0.348 9.031 1.00 1.00 C ATOM 481 C SER A 32 9.330 -1.318 8.713 1.00 1.00 C ATOM 482 O SER A 32 10.450 -0.902 8.420 1.00 1.00 O ATOM 483 CB SER A 32 7.941 -0.343 10.536 1.00 1.00 C ATOM 484 OG SER A 32 6.907 0.588 10.836 1.00 1.00 O ATOM 0 H SER A 32 6.177 -0.921 8.926 1.00 1.00 H new ATOM 0 HA SER A 32 8.486 0.650 8.704 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.656 -1.340 10.871 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.853 -0.075 11.070 1.00 1.00 H new ATOM 0 HG SER A 32 6.740 0.592 11.802 1.00 1.00 H new ATOM 490 N LYS A 33 9.030 -2.612 8.760 1.00 1.00 N ATOM 491 CA LYS A 33 10.033 -3.628 8.467 1.00 1.00 C ATOM 492 C LYS A 33 10.509 -3.514 7.025 1.00 1.00 C ATOM 493 O LYS A 33 11.686 -3.731 6.740 1.00 1.00 O ATOM 494 CB LYS A 33 9.442 -5.025 8.714 1.00 1.00 C ATOM 495 CG LYS A 33 9.511 -5.358 10.208 1.00 1.00 C ATOM 496 CD LYS A 33 8.922 -4.206 11.025 1.00 1.00 C ATOM 497 CE LYS A 33 8.609 -4.688 12.439 1.00 1.00 C ATOM 498 NZ LYS A 33 8.094 -3.548 13.248 1.00 1.00 N ATOM 0 H LYS A 33 8.108 -2.979 8.996 1.00 1.00 H new ATOM 0 HA LYS A 33 10.888 -3.474 9.125 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.408 -5.059 8.371 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.992 -5.770 8.140 1.00 1.00 H new ATOM 0 HG2 LYS A 33 8.962 -6.277 10.411 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.546 -5.533 10.503 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.626 -3.375 11.061 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.015 -3.835 10.548 1.00 1.00 H new ATOM 0 HE2 LYS A 33 7.870 -5.489 12.407 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.506 -5.100 12.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.306 -3.712 14.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 8.551 -2.667 12.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.065 -3.468 13.120 1.00 1.00 H new ATOM 512 N LEU A 34 9.589 -3.188 6.128 1.00 1.00 N ATOM 513 CA LEU A 34 9.926 -3.068 4.718 1.00 1.00 C ATOM 514 C LEU A 34 10.892 -1.917 4.503 1.00 1.00 C ATOM 515 O LEU A 34 11.574 -1.845 3.479 1.00 1.00 O ATOM 516 CB LEU A 34 8.656 -2.832 3.895 1.00 1.00 C ATOM 517 CG LEU A 34 7.625 -3.915 4.221 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.386 -3.724 3.348 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.231 -5.302 3.955 1.00 1.00 C ATOM 0 H LEU A 34 8.611 -3.003 6.350 1.00 1.00 H new ATOM 0 HA LEU A 34 10.400 -3.995 4.394 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.245 -1.847 4.115 1.00 1.00 H new ATOM 0 HB3 LEU A 34 8.892 -2.848 2.831 1.00 1.00 H new ATOM 0 HG LEU A 34 7.343 -3.838 5.271 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.653 -4.496 3.582 1.00 1.00 H new ATOM 0 HD12 LEU A 34 5.953 -2.743 3.541 1.00 1.00 H new ATOM 0 HD13 LEU A 34 6.667 -3.797 2.297 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.495 -6.071 4.188 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.517 -5.379 2.906 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.112 -5.441 4.582 1.00 1.00 H new ATOM 531 N GLY A 35 10.964 -1.020 5.479 1.00 1.00 N ATOM 532 CA GLY A 35 11.871 0.122 5.392 1.00 1.00 C ATOM 533 C GLY A 35 11.197 1.305 4.719 1.00 1.00 C ATOM 534 O GLY A 35 11.792 1.968 3.868 1.00 1.00 O ATOM 0 H GLY A 35 10.410 -1.059 6.335 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.199 0.407 6.392 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.763 -0.160 4.832 1.00 1.00 H new ATOM 538 N ALA A 36 9.957 1.575 5.105 1.00 1.00 N ATOM 539 CA ALA A 36 9.215 2.694 4.532 1.00 1.00 C ATOM 540 C ALA A 36 9.340 3.923 5.424 1.00 1.00 C ATOM 541 O ALA A 36 8.733 3.991 6.496 1.00 1.00 O ATOM 542 CB ALA A 36 7.735 2.316 4.384 1.00 1.00 C ATOM 0 H ALA A 36 9.445 1.040 5.807 1.00 1.00 H new ATOM 0 HA ALA A 36 9.631 2.924 3.551 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.186 3.155 3.956 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.644 1.450 3.728 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.322 2.074 5.363 1.00 1.00 H new ATOM 548 N ASP A 37 10.114 4.901 4.972 1.00 1.00 N ATOM 549 CA ASP A 37 10.303 6.136 5.730 1.00 1.00 C ATOM 550 C ASP A 37 9.255 7.169 5.335 1.00 1.00 C ATOM 551 O ASP A 37 8.395 6.906 4.496 1.00 1.00 O ATOM 552 CB ASP A 37 11.699 6.698 5.473 1.00 1.00 C ATOM 553 CG ASP A 37 12.749 5.807 6.128 1.00 1.00 C ATOM 554 OD1 ASP A 37 12.373 4.992 6.955 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.913 5.952 5.793 1.00 1.00 O ATOM 0 H ASP A 37 10.621 4.866 4.087 1.00 1.00 H new ATOM 0 HA ASP A 37 10.194 5.911 6.791 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.882 6.762 4.400 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.771 7.711 5.870 1.00 1.00 H new ATOM 560 N SER A 38 9.334 8.347 5.943 1.00 1.00 N ATOM 561 CA SER A 38 8.386 9.415 5.647 1.00 1.00 C ATOM 562 C SER A 38 8.441 9.783 4.168 1.00 1.00 C ATOM 563 O SER A 38 7.408 9.942 3.518 1.00 1.00 O ATOM 564 CB SER A 38 8.710 10.648 6.492 1.00 1.00 C ATOM 0 H SER A 38 10.040 8.586 6.640 1.00 1.00 H new ATOM 0 HA SER A 38 7.383 9.063 5.887 1.00 1.00 H new ATOM 569 N LEU A 39 9.651 9.912 3.641 1.00 1.00 N ATOM 570 CA LEU A 39 9.832 10.250 2.236 1.00 1.00 C ATOM 571 C LEU A 39 9.374 9.102 1.345 1.00 1.00 C ATOM 572 O LEU A 39 8.779 9.318 0.287 1.00 1.00 O ATOM 573 CB LEU A 39 11.304 10.562 1.958 1.00 1.00 C ATOM 574 CG LEU A 39 11.707 11.833 2.709 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.225 12.010 2.641 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.019 13.058 2.075 1.00 1.00 C ATOM 0 H LEU A 39 10.519 9.788 4.163 1.00 1.00 H new ATOM 0 HA LEU A 39 9.228 11.129 2.013 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.930 9.727 2.273 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.463 10.693 0.888 1.00 1.00 H new ATOM 0 HG LEU A 39 11.396 11.745 3.750 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.510 12.916 3.176 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.713 11.149 3.099 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.536 12.091 1.599 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.311 13.959 2.615 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.322 13.146 1.032 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.937 12.936 2.130 1.00 1.00 H new ATOM 588 N ASP A 40 9.673 7.876 1.767 1.00 1.00 N ATOM 589 CA ASP A 40 9.290 6.700 0.995 1.00 1.00 C ATOM 590 C ASP A 40 7.801 6.434 1.119 1.00 1.00 C ATOM 591 O ASP A 40 7.122 6.251 0.120 1.00 1.00 O ATOM 592 CB ASP A 40 10.084 5.476 1.490 1.00 1.00 C ATOM 593 CG ASP A 40 11.451 5.419 0.814 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.512 5.683 -0.377 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.415 5.125 1.495 1.00 1.00 O ATOM 0 H ASP A 40 10.175 7.673 2.632 1.00 1.00 H new ATOM 0 HA ASP A 40 9.519 6.884 -0.055 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.208 5.528 2.572 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.528 4.563 1.277 1.00 1.00 H new ATOM 600 N THR A 41 7.302 6.423 2.347 1.00 1.00 N ATOM 601 CA THR A 41 5.891 6.167 2.587 1.00 1.00 C ATOM 602 C THR A 41 5.031 7.029 1.672 1.00 1.00 C ATOM 603 O THR A 41 4.017 6.569 1.149 1.00 1.00 O ATOM 604 CB THR A 41 5.556 6.472 4.049 1.00 1.00 C ATOM 605 OG1 THR A 41 6.179 7.687 4.434 1.00 1.00 O ATOM 606 CG2 THR A 41 6.044 5.331 4.945 1.00 1.00 C ATOM 0 H THR A 41 7.852 6.588 3.190 1.00 1.00 H new ATOM 0 HA THR A 41 5.683 5.118 2.376 1.00 1.00 H new ATOM 0 HB THR A 41 4.476 6.570 4.158 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.130 7.526 4.607 1.00 1.00 H new ATOM 0 HG21 THR A 41 5.802 5.555 5.984 1.00 1.00 H new ATOM 0 HG22 THR A 41 5.555 4.403 4.651 1.00 1.00 H new ATOM 0 HG23 THR A 41 7.123 5.222 4.839 1.00 1.00 H new ATOM 614 N VAL A 42 5.449 8.265 1.476 1.00 1.00 N ATOM 615 CA VAL A 42 4.715 9.182 0.611 1.00 1.00 C ATOM 616 C VAL A 42 4.723 8.673 -0.829 1.00 1.00 C ATOM 617 O VAL A 42 3.692 8.636 -1.484 1.00 1.00 O ATOM 618 CB VAL A 42 5.342 10.580 0.669 1.00 1.00 C ATOM 619 CG1 VAL A 42 4.784 11.445 -0.469 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.009 11.232 2.012 1.00 1.00 C ATOM 0 H VAL A 42 6.288 8.660 1.900 1.00 1.00 H new ATOM 0 HA VAL A 42 3.684 9.238 0.962 1.00 1.00 H new ATOM 0 HB VAL A 42 6.423 10.495 0.561 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.232 12.438 -0.425 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.021 10.983 -1.427 1.00 1.00 H new ATOM 0 HG13 VAL A 42 3.702 11.530 -0.365 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.454 12.226 2.054 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.927 11.314 2.118 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.408 10.621 2.822 1.00 1.00 H new ATOM 630 N GLU A 43 5.894 8.278 -1.308 1.00 1.00 N ATOM 631 CA GLU A 43 6.022 7.780 -2.670 1.00 1.00 C ATOM 632 C GLU A 43 5.072 6.615 -2.903 1.00 1.00 C ATOM 633 O GLU A 43 4.595 6.400 -4.013 1.00 1.00 O ATOM 634 CB GLU A 43 7.463 7.337 -2.926 1.00 1.00 C ATOM 635 CG GLU A 43 8.369 8.564 -3.034 1.00 1.00 C ATOM 636 CD GLU A 43 9.818 8.128 -3.227 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.046 6.936 -3.349 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.678 8.994 -3.251 1.00 1.00 O ATOM 0 H GLU A 43 6.765 8.292 -0.777 1.00 1.00 H new ATOM 0 HA GLU A 43 5.764 8.582 -3.361 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.804 6.691 -2.117 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.516 6.752 -3.844 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.053 9.187 -3.871 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.280 9.172 -2.134 1.00 1.00 H new ATOM 645 N ILE A 44 4.809 5.863 -1.854 1.00 1.00 N ATOM 646 CA ILE A 44 3.917 4.717 -1.950 1.00 1.00 C ATOM 647 C ILE A 44 2.493 5.163 -2.221 1.00 1.00 C ATOM 648 O ILE A 44 1.780 4.555 -3.019 1.00 1.00 O ATOM 649 CB ILE A 44 3.957 3.904 -0.646 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.418 3.567 -0.290 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.165 2.602 -0.825 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.892 2.358 -1.091 1.00 1.00 C ATOM 0 H ILE A 44 5.198 6.021 -0.924 1.00 1.00 H new ATOM 0 HA ILE A 44 4.255 4.095 -2.779 1.00 1.00 H new ATOM 0 HB ILE A 44 3.513 4.493 0.157 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.058 4.424 -0.500 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.501 3.360 0.777 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.195 2.028 0.101 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.130 2.837 -1.073 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.607 2.015 -1.630 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.926 2.131 -0.830 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.262 1.499 -0.860 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.827 2.579 -2.156 1.00 1.00 H new ATOM 664 N VAL A 45 2.067 6.210 -1.532 1.00 1.00 N ATOM 665 CA VAL A 45 0.705 6.705 -1.685 1.00 1.00 C ATOM 666 C VAL A 45 0.419 7.102 -3.129 1.00 1.00 C ATOM 667 O VAL A 45 -0.517 6.613 -3.742 1.00 1.00 O ATOM 668 CB VAL A 45 0.493 7.923 -0.782 1.00 1.00 C ATOM 669 CG1 VAL A 45 -0.913 8.491 -1.002 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.648 7.510 0.685 1.00 1.00 C ATOM 0 H VAL A 45 2.638 6.731 -0.866 1.00 1.00 H new ATOM 0 HA VAL A 45 0.023 5.903 -1.402 1.00 1.00 H new ATOM 0 HB VAL A 45 1.235 8.683 -1.027 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.060 9.358 -0.358 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.026 8.790 -2.044 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.655 7.730 -0.761 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.497 8.379 1.326 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.091 6.747 0.928 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.649 7.110 0.847 1.00 1.00 H new ATOM 680 N MET A 46 1.241 7.971 -3.661 1.00 1.00 N ATOM 681 CA MET A 46 1.073 8.431 -5.036 1.00 1.00 C ATOM 682 C MET A 46 1.198 7.262 -6.009 1.00 1.00 C ATOM 683 O MET A 46 0.492 7.211 -7.018 1.00 1.00 O ATOM 684 CB MET A 46 2.145 9.504 -5.375 1.00 1.00 C ATOM 685 CG MET A 46 3.136 9.627 -4.220 1.00 1.00 C ATOM 686 SD MET A 46 2.306 10.429 -2.813 1.00 1.00 S ATOM 687 CE MET A 46 2.946 12.090 -3.082 1.00 1.00 C ATOM 0 H MET A 46 2.037 8.380 -3.171 1.00 1.00 H new ATOM 0 HA MET A 46 0.079 8.869 -5.133 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.671 9.230 -6.290 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.665 10.465 -5.559 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.501 8.642 -3.930 1.00 1.00 H new ATOM 0 HG3 MET A 46 4.003 10.211 -4.528 1.00 1.00 H new ATOM 0 HE1 MET A 46 2.703 12.717 -2.224 1.00 1.00 H new ATOM 0 HE2 MET A 46 4.028 12.047 -3.206 1.00 1.00 H new ATOM 0 HE3 MET A 46 2.494 12.513 -3.979 1.00 1.00 H new ATOM 697 N ASN A 47 2.121 6.357 -5.723 1.00 1.00 N ATOM 698 CA ASN A 47 2.340 5.216 -6.594 1.00 1.00 C ATOM 699 C ASN A 47 1.095 4.336 -6.656 1.00 1.00 C ATOM 700 O ASN A 47 0.632 3.981 -7.738 1.00 1.00 O ATOM 701 CB ASN A 47 3.530 4.390 -6.080 1.00 1.00 C ATOM 702 CG ASN A 47 4.843 4.980 -6.590 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.628 4.280 -7.230 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.123 6.230 -6.352 1.00 1.00 N ATOM 0 H ASN A 47 2.725 6.390 -4.902 1.00 1.00 H new ATOM 0 HA ASN A 47 2.556 5.584 -7.597 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.528 4.376 -4.990 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.435 3.356 -6.412 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.995 6.632 -6.696 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.470 6.807 -5.821 1.00 1.00 H new ATOM 711 N LEU A 48 0.565 3.990 -5.489 1.00 1.00 N ATOM 712 CA LEU A 48 -0.623 3.154 -5.424 1.00 1.00 C ATOM 713 C LEU A 48 -1.844 3.914 -5.916 1.00 1.00 C ATOM 714 O LEU A 48 -2.652 3.386 -6.679 1.00 1.00 O ATOM 715 CB LEU A 48 -0.854 2.692 -3.982 1.00 1.00 C ATOM 716 CG LEU A 48 0.324 1.829 -3.522 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.132 1.444 -2.055 1.00 1.00 C ATOM 718 CD2 LEU A 48 0.406 0.556 -4.381 1.00 1.00 C ATOM 0 H LEU A 48 0.937 4.274 -4.583 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.469 2.287 -6.066 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.963 3.556 -3.326 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.782 2.123 -3.916 1.00 1.00 H new ATOM 0 HG LEU A 48 1.249 2.396 -3.632 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.971 0.830 -1.727 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.083 2.346 -1.445 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.795 0.881 -1.945 1.00 1.00 H new ATOM 0 HD21 LEU A 48 1.246 -0.054 -4.049 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -0.518 -0.013 -4.278 1.00 1.00 H new ATOM 0 HD23 LEU A 48 0.548 0.831 -5.426 1.00 1.00 H new ATOM 730 N GLU A 49 -1.969 5.162 -5.487 1.00 1.00 N ATOM 731 CA GLU A 49 -3.096 5.989 -5.895 1.00 1.00 C ATOM 732 C GLU A 49 -3.136 6.141 -7.411 1.00 1.00 C ATOM 733 O GLU A 49 -4.209 6.160 -8.013 1.00 1.00 O ATOM 734 CB GLU A 49 -2.996 7.372 -5.241 1.00 1.00 C ATOM 735 CG GLU A 49 -3.395 7.278 -3.765 1.00 1.00 C ATOM 736 CD GLU A 49 -3.232 8.635 -3.093 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.817 9.562 -3.767 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.533 8.729 -1.915 1.00 1.00 O ATOM 0 H GLU A 49 -1.309 5.622 -4.860 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.014 5.499 -5.570 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.979 7.753 -5.329 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.646 8.077 -5.759 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.429 6.943 -3.680 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.777 6.536 -3.259 1.00 1.00 H new ATOM 745 N GLU A 50 -1.966 6.253 -8.012 1.00 1.00 N ATOM 746 CA GLU A 50 -1.871 6.407 -9.459 1.00 1.00 C ATOM 747 C GLU A 50 -2.158 5.083 -10.161 1.00 1.00 C ATOM 748 O GLU A 50 -2.743 5.058 -11.245 1.00 1.00 O ATOM 749 CB GLU A 50 -0.477 6.904 -9.846 1.00 1.00 C ATOM 750 CG GLU A 50 -0.427 7.167 -11.354 1.00 1.00 C ATOM 751 CD GLU A 50 0.934 7.736 -11.739 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.833 7.676 -10.917 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.055 8.228 -12.849 1.00 1.00 O ATOM 0 H GLU A 50 -1.069 6.241 -7.526 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.614 7.139 -9.774 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.240 7.817 -9.299 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.274 6.163 -9.570 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.611 6.241 -11.899 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.215 7.865 -11.636 1.00 1.00 H new ATOM 760 N GLU A 51 -1.726 3.988 -9.546 1.00 1.00 N ATOM 761 CA GLU A 51 -1.928 2.672 -10.129 1.00 1.00 C ATOM 762 C GLU A 51 -3.406 2.323 -10.171 1.00 1.00 C ATOM 763 O GLU A 51 -3.904 1.804 -11.171 1.00 1.00 O ATOM 764 CB GLU A 51 -1.176 1.618 -9.309 1.00 1.00 C ATOM 765 CG GLU A 51 -1.036 0.329 -10.127 1.00 1.00 C ATOM 766 CD GLU A 51 -2.390 -0.357 -10.251 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.187 -0.224 -9.336 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.614 -1.004 -11.261 1.00 1.00 O ATOM 0 H GLU A 51 -1.237 3.987 -8.651 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.543 2.685 -11.149 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.191 1.993 -9.033 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.711 1.415 -8.381 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.643 0.558 -11.117 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -0.322 -0.341 -9.647 1.00 1.00 H new ATOM 775 N PHE A 52 -4.106 2.600 -9.075 1.00 1.00 N ATOM 776 CA PHE A 52 -5.535 2.301 -8.993 1.00 1.00 C ATOM 777 C PHE A 52 -6.358 3.548 -9.285 1.00 1.00 C ATOM 778 O PHE A 52 -7.589 3.504 -9.280 1.00 1.00 O ATOM 779 CB PHE A 52 -5.877 1.769 -7.602 1.00 1.00 C ATOM 780 CG PHE A 52 -5.132 0.478 -7.356 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.579 -0.710 -7.943 1.00 1.00 C ATOM 782 CD2 PHE A 52 -3.992 0.472 -6.539 1.00 1.00 C ATOM 783 CE1 PHE A 52 -4.889 -1.906 -7.713 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.304 -0.724 -6.312 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.750 -1.913 -6.899 1.00 1.00 C ATOM 0 H PHE A 52 -3.713 3.028 -8.237 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.774 1.542 -9.738 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.609 2.505 -6.844 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.951 1.602 -7.519 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.456 -0.705 -8.573 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.646 1.389 -6.086 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.236 -2.824 -8.164 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.427 -0.730 -5.682 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.216 -2.835 -6.724 1.00 1.00 H new ATOM 795 N GLY A 53 -5.675 4.655 -9.545 1.00 1.00 N ATOM 796 CA GLY A 53 -6.356 5.907 -9.846 1.00 1.00 C ATOM 797 C GLY A 53 -7.396 6.232 -8.786 1.00 1.00 C ATOM 798 O GLY A 53 -8.563 6.464 -9.100 1.00 1.00 O ATOM 0 H GLY A 53 -4.657 4.712 -9.554 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.628 6.716 -9.905 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.836 5.838 -10.822 1.00 1.00 H new ATOM 802 N ILE A 54 -6.968 6.247 -7.528 1.00 1.00 N ATOM 803 CA ILE A 54 -7.873 6.549 -6.418 1.00 1.00 C ATOM 804 C ILE A 54 -7.356 7.730 -5.617 1.00 1.00 C ATOM 805 O ILE A 54 -6.182 8.094 -5.716 1.00 1.00 O ATOM 806 CB ILE A 54 -8.007 5.331 -5.508 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.622 4.900 -5.020 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.655 4.181 -6.281 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.766 3.871 -3.894 1.00 1.00 C ATOM 0 H ILE A 54 -6.006 6.055 -7.249 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.850 6.803 -6.828 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.630 5.589 -4.651 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.052 4.473 -5.845 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.066 5.767 -4.664 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.750 3.312 -5.629 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.643 4.486 -6.626 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.034 3.924 -7.140 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.777 3.567 -3.550 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.318 4.314 -3.065 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.305 2.999 -4.265 1.00 1.00 H new ATOM 821 N ASN A 55 -8.235 8.331 -4.820 1.00 1.00 N ATOM 822 CA ASN A 55 -7.854 9.482 -3.998 1.00 1.00 C ATOM 823 C ASN A 55 -8.146 9.206 -2.530 1.00 1.00 C ATOM 824 O ASN A 55 -9.287 8.934 -2.152 1.00 1.00 O ATOM 825 CB ASN A 55 -8.627 10.720 -4.451 1.00 1.00 C ATOM 826 CG ASN A 55 -8.669 10.779 -5.975 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.368 9.895 -6.633 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -8.045 11.650 -6.582 1.00 1.00 N flip ATOM 0 H ASN A 55 -9.209 8.045 -4.724 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.785 9.657 -4.117 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -9.641 10.692 -4.052 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.154 11.619 -4.057 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -7.499 12.340 -6.066 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -8.074 11.682 -7.601 1.00 1.00 H new ATOM 835 N VAL A 56 -7.111 9.285 -1.700 1.00 1.00 N ATOM 836 CA VAL A 56 -7.269 9.050 -0.266 1.00 1.00 C ATOM 837 C VAL A 56 -6.354 9.976 0.531 1.00 1.00 C ATOM 838 O VAL A 56 -5.216 10.225 0.141 1.00 1.00 O ATOM 839 CB VAL A 56 -6.941 7.592 0.060 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.572 7.235 -0.518 1.00 1.00 C ATOM 841 CG2 VAL A 56 -6.922 7.399 1.581 1.00 1.00 C ATOM 0 H VAL A 56 -6.159 9.508 -1.991 1.00 1.00 H new ATOM 0 HA VAL A 56 -8.303 9.258 0.010 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.699 6.943 -0.378 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.339 6.196 -0.285 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.587 7.370 -1.599 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.812 7.884 -0.082 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.688 6.360 1.813 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.165 8.048 2.021 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.899 7.651 1.992 1.00 1.00 H new ATOM 851 N ASP A 57 -6.860 10.469 1.657 1.00 1.00 N ATOM 852 CA ASP A 57 -6.075 11.353 2.511 1.00 1.00 C ATOM 853 C ASP A 57 -5.051 10.554 3.315 1.00 1.00 C ATOM 854 O ASP A 57 -5.322 9.438 3.751 1.00 1.00 O ATOM 855 CB ASP A 57 -6.999 12.108 3.468 1.00 1.00 C ATOM 856 CG ASP A 57 -7.822 13.133 2.696 1.00 1.00 C ATOM 857 OD1 ASP A 57 -7.474 13.408 1.559 1.00 1.00 O ATOM 858 OD2 ASP A 57 -8.790 13.626 3.251 1.00 1.00 O ATOM 0 H ASP A 57 -7.802 10.274 1.997 1.00 1.00 H new ATOM 0 HA ASP A 57 -5.547 12.065 1.877 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.660 11.407 3.977 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -6.410 12.607 4.238 1.00 1.00 H new ATOM 863 N GLU A 58 -3.874 11.139 3.507 1.00 1.00 N ATOM 864 CA GLU A 58 -2.816 10.477 4.260 1.00 1.00 C ATOM 865 C GLU A 58 -3.211 10.332 5.724 1.00 1.00 C ATOM 866 O GLU A 58 -2.821 9.373 6.388 1.00 1.00 O ATOM 867 CB GLU A 58 -1.518 11.283 4.155 1.00 1.00 C ATOM 868 CG GLU A 58 -1.061 11.334 2.690 1.00 1.00 C ATOM 869 CD GLU A 58 -1.830 12.418 1.941 1.00 1.00 C ATOM 870 OE1 GLU A 58 -2.720 13.007 2.533 1.00 1.00 O ATOM 871 OE2 GLU A 58 -1.518 12.647 0.787 1.00 1.00 O ATOM 0 H GLU A 58 -3.630 12.064 3.154 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.662 9.484 3.838 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -1.674 12.293 4.533 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.744 10.827 4.772 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.009 11.536 2.641 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -1.225 10.367 2.215 1.00 1.00 H new ATOM 878 N ASP A 59 -3.980 11.293 6.220 1.00 1.00 N ATOM 879 CA ASP A 59 -4.421 11.264 7.610 1.00 1.00 C ATOM 880 C ASP A 59 -5.349 10.078 7.852 1.00 1.00 C ATOM 881 O ASP A 59 -5.418 9.546 8.960 1.00 1.00 O ATOM 882 CB ASP A 59 -5.151 12.563 7.954 1.00 1.00 C ATOM 883 CG ASP A 59 -4.157 13.717 8.026 1.00 1.00 C ATOM 884 OD1 ASP A 59 -2.967 13.449 7.997 1.00 1.00 O ATOM 885 OD2 ASP A 59 -4.600 14.850 8.107 1.00 1.00 O ATOM 0 H ASP A 59 -4.310 12.097 5.686 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.543 11.161 8.248 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.911 12.773 7.201 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -5.668 12.458 8.908 1.00 1.00 H new ATOM 890 N LYS A 60 -6.067 9.672 6.810 1.00 1.00 N ATOM 891 CA LYS A 60 -6.992 8.551 6.921 1.00 1.00 C ATOM 892 C LYS A 60 -6.250 7.227 6.787 1.00 1.00 C ATOM 893 O LYS A 60 -6.786 6.166 7.104 1.00 1.00 O ATOM 894 CB LYS A 60 -8.061 8.646 5.839 1.00 1.00 C ATOM 895 CG LYS A 60 -9.009 9.805 6.163 1.00 1.00 C ATOM 896 CD LYS A 60 -10.015 9.977 5.021 1.00 1.00 C ATOM 897 CE LYS A 60 -11.093 8.893 5.110 1.00 1.00 C ATOM 898 NZ LYS A 60 -12.208 9.221 4.183 1.00 1.00 N ATOM 0 H LYS A 60 -6.027 10.100 5.885 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.464 8.593 7.903 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.596 8.803 4.866 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.618 7.711 5.779 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.534 9.609 7.098 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.441 10.725 6.303 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.474 10.964 5.074 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.503 9.915 4.061 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.668 7.922 4.855 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.466 8.820 6.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.939 8.484 4.245 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.619 10.139 4.446 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.847 9.270 3.209 1.00 1.00 H new ATOM 912 N ALA A 61 -5.011 7.294 6.310 1.00 1.00 N ATOM 913 CA ALA A 61 -4.201 6.093 6.132 1.00 1.00 C ATOM 914 C ALA A 61 -3.321 5.854 7.356 1.00 1.00 C ATOM 915 O ALA A 61 -2.356 5.093 7.300 1.00 1.00 O ATOM 916 CB ALA A 61 -3.320 6.234 4.890 1.00 1.00 C ATOM 0 H ALA A 61 -4.548 8.162 6.041 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.871 5.243 6.007 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.719 5.333 4.766 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.950 6.375 4.011 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.662 7.095 5.006 1.00 1.00 H new ATOM 922 N GLN A 62 -3.654 6.517 8.455 1.00 1.00 N ATOM 923 CA GLN A 62 -2.887 6.373 9.687 1.00 1.00 C ATOM 924 C GLN A 62 -3.123 5.003 10.315 1.00 1.00 C ATOM 925 O GLN A 62 -2.207 4.399 10.871 1.00 1.00 O ATOM 926 CB GLN A 62 -3.282 7.469 10.680 1.00 1.00 C ATOM 927 CG GLN A 62 -2.827 8.830 10.148 1.00 1.00 C ATOM 928 CD GLN A 62 -1.306 8.921 10.177 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.665 9.321 9.112 1.00 1.00 O flip ATOM 930 NE2 GLN A 62 -0.686 8.620 11.195 1.00 1.00 N flip ATOM 0 H GLN A 62 -4.446 7.157 8.520 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.829 6.467 9.444 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.362 7.468 10.829 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.826 7.276 11.651 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.188 8.970 9.129 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.259 9.628 10.752 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.190 8.308 12.025 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.332 8.682 11.209 1.00 1.00 H new ATOM 939 N ASP A 63 -4.359 4.526 10.229 1.00 1.00 N ATOM 940 CA ASP A 63 -4.711 3.233 10.802 1.00 1.00 C ATOM 941 C ASP A 63 -4.002 2.109 10.058 1.00 1.00 C ATOM 942 O ASP A 63 -4.130 0.937 10.416 1.00 1.00 O ATOM 943 CB ASP A 63 -6.225 3.024 10.729 1.00 1.00 C ATOM 944 CG ASP A 63 -6.929 3.959 11.708 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.265 4.460 12.601 1.00 1.00 O ATOM 946 OD2 ASP A 63 -8.122 4.158 11.552 1.00 1.00 O ATOM 0 H ASP A 63 -5.130 5.012 9.771 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.394 3.219 11.845 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.578 3.213 9.715 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.469 1.988 10.964 1.00 1.00 H new ATOM 951 N ILE A 64 -3.258 2.470 9.018 1.00 1.00 N ATOM 952 CA ILE A 64 -2.534 1.484 8.231 1.00 1.00 C ATOM 953 C ILE A 64 -1.304 1.004 8.974 1.00 1.00 C ATOM 954 O ILE A 64 -0.494 1.805 9.437 1.00 1.00 O ATOM 955 CB ILE A 64 -2.112 2.090 6.889 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.354 2.596 6.150 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.411 1.029 6.039 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.345 1.442 5.928 1.00 1.00 C ATOM 0 H ILE A 64 -3.142 3.433 8.703 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.195 0.635 8.057 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.426 2.918 7.066 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.831 3.389 6.726 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.066 3.027 5.191 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.113 1.465 5.086 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.527 0.667 6.565 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.093 0.197 5.860 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.224 1.814 5.402 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.869 0.663 5.333 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.646 1.030 6.891 1.00 1.00 H new ATOM 970 N SER A 65 -1.166 -0.317 9.094 1.00 1.00 N ATOM 971 CA SER A 65 -0.018 -0.899 9.796 1.00 1.00 C ATOM 972 C SER A 65 0.640 -1.967 8.939 1.00 1.00 C ATOM 973 O SER A 65 1.867 -2.058 8.883 1.00 1.00 O ATOM 974 CB SER A 65 -0.476 -1.512 11.118 1.00 1.00 C ATOM 975 OG SER A 65 0.515 -2.420 11.581 1.00 1.00 O ATOM 0 H SER A 65 -1.826 -0.999 8.719 1.00 1.00 H new ATOM 0 HA SER A 65 0.707 -0.110 9.994 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.642 -0.729 11.857 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.426 -2.030 10.983 1.00 1.00 H new ATOM 0 HG SER A 65 0.226 -2.815 12.430 1.00 1.00 H new ATOM 981 N THR A 66 -0.178 -2.778 8.273 1.00 1.00 N ATOM 982 CA THR A 66 0.339 -3.851 7.418 1.00 1.00 C ATOM 983 C THR A 66 -0.199 -3.708 6.002 1.00 1.00 C ATOM 984 O THR A 66 -1.002 -2.819 5.717 1.00 1.00 O ATOM 985 CB THR A 66 -0.065 -5.213 7.985 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.380 -5.531 7.556 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.019 -5.169 9.513 1.00 1.00 C ATOM 0 H THR A 66 -1.196 -2.716 8.306 1.00 1.00 H new ATOM 0 HA THR A 66 1.426 -3.779 7.392 1.00 1.00 H new ATOM 0 HB THR A 66 0.628 -5.975 7.628 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.391 -6.436 7.179 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.307 -6.141 9.914 1.00 1.00 H new ATOM 0 HG22 THR A 66 0.992 -4.927 9.840 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.709 -4.408 9.876 1.00 1.00 H new ATOM 995 N ILE A 67 0.251 -4.585 5.115 1.00 1.00 N ATOM 996 CA ILE A 67 -0.191 -4.543 3.725 1.00 1.00 C ATOM 997 C ILE A 67 -1.697 -4.732 3.637 1.00 1.00 C ATOM 998 O ILE A 67 -2.381 -3.988 2.929 1.00 1.00 O ATOM 999 CB ILE A 67 0.507 -5.645 2.921 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.026 -5.512 3.077 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.128 -5.530 1.447 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.470 -4.104 2.653 1.00 1.00 C ATOM 0 H ILE A 67 0.916 -5.328 5.329 1.00 1.00 H new ATOM 0 HA ILE A 67 0.068 -3.568 3.312 1.00 1.00 H new ATOM 0 HB ILE A 67 0.190 -6.618 3.296 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.312 -5.697 4.112 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.531 -6.262 2.468 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.627 -6.316 0.881 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.952 -5.635 1.340 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.437 -4.556 1.067 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.550 -4.014 2.766 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.198 -3.935 1.611 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.977 -3.362 3.281 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.211 -5.721 4.352 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.644 -5.986 4.335 1.00 1.00 C ATOM 1016 C GLN A 68 -4.426 -4.730 4.707 1.00 1.00 C ATOM 1017 O GLN A 68 -5.473 -4.454 4.123 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.970 -7.127 5.329 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.321 -8.401 4.558 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.688 -8.240 3.899 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.783 -8.281 2.598 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.694 -8.064 4.584 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.666 -6.347 4.945 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.936 -6.286 3.329 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.116 -7.309 5.981 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.803 -6.837 5.969 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.562 -8.601 3.801 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.330 -9.256 5.234 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.619 -8.032 5.601 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.603 -7.950 4.135 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.924 -3.995 5.690 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.594 -2.784 6.137 1.00 1.00 C ATOM 1033 C GLN A 69 -4.734 -1.803 4.979 1.00 1.00 C ATOM 1034 O GLN A 69 -5.803 -1.237 4.756 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.792 -2.135 7.264 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.597 -3.136 8.402 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.951 -3.541 8.974 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.794 -2.686 9.239 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.207 -4.802 9.180 1.00 1.00 N ATOM 0 H GLN A 69 -3.062 -4.215 6.189 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.587 -3.046 6.503 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.824 -1.803 6.889 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.312 -1.250 7.631 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.069 -4.017 8.037 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -2.979 -2.695 9.184 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.505 -5.508 8.959 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.110 -5.083 9.563 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.647 -1.614 4.234 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.665 -0.706 3.092 1.00 1.00 C ATOM 1050 C ALA A 70 -4.599 -1.231 2.006 1.00 1.00 C ATOM 1051 O ALA A 70 -5.312 -0.465 1.360 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.252 -0.556 2.523 1.00 1.00 C ATOM 0 H ALA A 70 -2.751 -2.073 4.399 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.027 0.266 3.429 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.273 0.123 1.671 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.591 -0.154 3.291 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.884 -1.530 2.201 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.589 -2.548 1.809 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.438 -3.166 0.797 1.00 1.00 C ATOM 1060 C ALA A 71 -6.910 -3.001 1.158 1.00 1.00 C ATOM 1061 O ALA A 71 -7.755 -2.804 0.284 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.104 -4.654 0.674 1.00 1.00 C ATOM 0 H ALA A 71 -4.007 -3.202 2.333 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.253 -2.672 -0.157 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.742 -5.109 -0.084 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.059 -4.770 0.386 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.272 -5.145 1.632 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.211 -3.086 2.447 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.587 -2.951 2.913 1.00 1.00 C ATOM 1070 C ASP A 72 -9.138 -1.575 2.560 1.00 1.00 C ATOM 1071 O ASP A 72 -10.297 -1.437 2.172 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.648 -3.155 4.428 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.433 -4.627 4.767 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.506 -5.442 3.862 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.193 -4.918 5.928 1.00 1.00 O ATOM 0 H ASP A 72 -6.526 -3.247 3.186 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.194 -3.710 2.420 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.887 -2.546 4.916 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.614 -2.823 4.809 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.305 -0.556 2.709 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.717 0.806 2.398 1.00 1.00 C ATOM 1082 C VAL A 73 -8.785 1.016 0.889 1.00 1.00 C ATOM 1083 O VAL A 73 -9.728 1.624 0.375 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.736 1.804 3.013 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.166 3.231 2.660 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.725 1.637 4.533 1.00 1.00 C ATOM 0 H VAL A 73 -7.345 -0.644 3.041 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.709 0.969 2.819 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.737 1.619 2.619 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.466 3.941 3.099 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.173 3.351 1.577 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.166 3.417 3.052 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.026 2.348 4.972 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.725 1.821 4.926 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.417 0.622 4.785 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.767 0.536 0.185 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.714 0.694 -1.262 1.00 1.00 C ATOM 1098 C ILE A 74 -8.844 -0.066 -1.941 1.00 1.00 C ATOM 1099 O ILE A 74 -9.607 0.506 -2.715 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.369 0.184 -1.791 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.241 1.093 -1.290 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.380 0.191 -3.325 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.889 0.426 -1.560 1.00 1.00 C ATOM 0 H ILE A 74 -6.974 0.038 0.589 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.825 1.754 -1.490 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.206 -0.832 -1.433 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.288 2.059 -1.792 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.359 1.282 -0.223 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.422 -0.172 -3.697 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.179 -0.457 -3.686 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.547 1.207 -3.683 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.087 1.072 -1.204 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.844 -0.530 -1.038 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.773 0.260 -2.631 1.00 1.00 H new ATOM 1115 N GLU A 75 -8.947 -1.352 -1.642 1.00 1.00 N ATOM 1116 CA GLU A 75 -9.980 -2.184 -2.242 1.00 1.00 C ATOM 1117 C GLU A 75 -11.359 -1.581 -1.999 1.00 1.00 C ATOM 1118 O GLU A 75 -12.236 -1.660 -2.853 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.918 -3.598 -1.647 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.423 -3.573 -0.197 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.947 -3.660 -0.165 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.497 -4.378 -0.985 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.543 -2.985 0.656 1.00 1.00 O ATOM 0 H GLU A 75 -8.332 -1.841 -0.991 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.807 -2.236 -3.317 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.525 -4.280 -2.242 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.895 -3.972 -1.679 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.993 -4.406 0.360 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.094 -2.657 0.294 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.542 -0.999 -0.821 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.822 -0.401 -0.468 1.00 1.00 C ATOM 1132 C GLY A 76 -13.172 0.735 -1.423 1.00 1.00 C ATOM 1133 O GLY A 76 -14.326 0.890 -1.821 1.00 1.00 O ATOM 0 H GLY A 76 -10.826 -0.929 -0.098 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.603 -1.160 -0.497 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.783 -0.024 0.554 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.169 1.526 -1.783 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.378 2.644 -2.694 1.00 1.00 C ATOM 1139 C LEU A 77 -12.788 2.149 -4.074 1.00 1.00 C ATOM 1140 O LEU A 77 -13.630 2.750 -4.736 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.099 3.477 -2.798 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.828 4.167 -1.458 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.399 4.708 -1.442 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.816 5.332 -1.259 1.00 1.00 C ATOM 0 H LEU A 77 -11.208 1.415 -1.460 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.182 3.264 -2.298 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.258 2.839 -3.067 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.200 4.221 -3.588 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.956 3.444 -0.652 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.207 5.199 -0.488 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.697 3.885 -1.575 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.273 5.427 -2.252 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.618 5.818 -0.304 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.694 6.054 -2.066 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.836 4.949 -1.266 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.172 1.061 -4.507 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.470 0.500 -5.818 1.00 1.00 C ATOM 1158 C LEU A 78 -13.928 0.079 -5.901 1.00 1.00 C ATOM 1159 O LEU A 78 -14.576 0.268 -6.931 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.562 -0.715 -6.088 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.195 -0.244 -6.609 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.358 0.285 -5.447 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.475 -1.417 -7.271 1.00 1.00 C ATOM 0 H LEU A 78 -11.467 0.550 -3.975 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.284 1.265 -6.572 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.432 -1.293 -5.173 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.031 -1.375 -6.818 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.338 0.553 -7.339 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.389 0.618 -5.819 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -9.875 1.123 -4.978 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.212 -0.508 -4.713 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.505 -1.086 -7.642 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -9.332 -2.215 -6.542 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.074 -1.789 -8.103 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.434 -0.495 -4.821 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.821 -0.940 -4.785 1.00 1.00 C ATOM 1177 C GLU A 79 -16.757 0.198 -5.175 1.00 1.00 C ATOM 1178 O GLU A 79 -17.846 -0.034 -5.698 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.173 -1.433 -3.380 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.417 -2.729 -3.086 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.682 -3.176 -1.654 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.441 -2.503 -0.975 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.122 -4.183 -1.255 1.00 1.00 O ATOM 0 H GLU A 79 -13.910 -0.664 -3.962 1.00 1.00 H new ATOM 0 HA GLU A 79 -15.941 -1.756 -5.498 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.914 -0.674 -2.642 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.247 -1.601 -3.301 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.730 -3.507 -3.782 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.348 -2.578 -3.236 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.325 1.429 -4.918 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.138 2.595 -5.244 1.00 1.00 C ATOM 1192 C LYS A 80 -17.394 2.665 -6.745 1.00 1.00 C ATOM 1193 O LYS A 80 -18.522 2.902 -7.181 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.426 3.870 -4.788 1.00 1.00 C ATOM 1195 CG LYS A 80 -17.334 5.077 -5.029 1.00 1.00 C ATOM 1196 CD LYS A 80 -16.664 6.338 -4.479 1.00 1.00 C ATOM 1197 CE LYS A 80 -17.591 7.538 -4.684 1.00 1.00 C ATOM 1198 NZ LYS A 80 -17.733 7.811 -6.143 1.00 1.00 N ATOM 0 H LYS A 80 -15.425 1.644 -4.489 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.093 2.506 -4.727 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.172 3.799 -3.730 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.490 3.991 -5.333 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -17.529 5.192 -6.095 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -18.298 4.923 -4.543 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.443 6.213 -3.419 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.714 6.508 -4.985 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -18.568 7.336 -4.244 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -17.187 8.414 -4.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -18.095 8.776 -6.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -16.806 7.719 -6.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -18.397 7.129 -6.561 1.00 1.00 H new ATOM 1212 N LYS A 81 -16.345 2.455 -7.532 1.00 1.00 N ATOM 1213 CA LYS A 81 -16.471 2.495 -8.986 1.00 1.00 C ATOM 1214 C LYS A 81 -16.845 1.120 -9.529 1.00 1.00 C ATOM 1215 O LYS A 81 -16.420 0.095 -8.997 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.153 2.948 -9.611 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.012 2.069 -9.094 1.00 1.00 C ATOM 1218 CD LYS A 81 -12.723 2.404 -9.849 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.203 3.774 -9.402 1.00 1.00 C ATOM 1220 NZ LYS A 81 -10.786 3.929 -9.825 1.00 1.00 N ATOM 0 H LYS A 81 -15.404 2.257 -7.192 1.00 1.00 H new ATOM 0 HA LYS A 81 -17.259 3.203 -9.244 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -15.212 2.883 -10.697 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -14.962 3.992 -9.364 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -13.871 2.230 -8.025 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -14.261 1.016 -9.228 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -11.970 1.639 -9.659 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.910 2.408 -10.923 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -12.812 4.566 -9.838 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -12.283 3.869 -8.319 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.433 4.859 -9.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -10.210 3.181 -9.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.723 3.856 -10.860 1.00 1.00 H new ATOM 1234 N ALA A 82 -17.643 1.106 -10.592 1.00 1.00 N ATOM 1235 CA ALA A 82 -18.068 -0.148 -11.200 1.00 1.00 C ATOM 1236 C ALA A 82 -18.744 -1.043 -10.166 1.00 1.00 C ATOM 1237 O ALA A 82 -18.612 -2.251 -10.281 1.00 1.00 O ATOM 1238 CB ALA A 82 -16.860 -0.875 -11.795 1.00 1.00 C ATOM 1239 OXT ALA A 82 -19.382 -0.508 -9.275 1.00 1.00 O ATOM 0 H ALA A 82 -18.006 1.944 -11.047 1.00 1.00 H new ATOM 0 HA ALA A 82 -18.783 0.077 -11.991 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.186 -1.812 -12.248 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.395 -0.247 -12.555 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -16.137 -1.085 -11.007 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 8.381 10.386 7.851 1.00 1.00 O HETATM 1247 P24 PNS A 101 9.271 11.000 9.043 1.00 1.00 P HETATM 1248 O25 PNS A 101 10.390 10.070 9.307 1.00 1.00 O HETATM 1249 O26 PNS A 101 9.550 12.421 8.729 1.00 1.00 O HETATM 1250 O27 PNS A 101 8.262 10.947 10.294 1.00 1.00 O HETATM 1251 C28 PNS A 101 7.663 12.137 10.784 1.00 1.00 C HETATM 1252 C29 PNS A 101 6.835 11.809 12.029 1.00 1.00 C HETATM 1253 C30 PNS A 101 6.062 13.051 12.475 1.00 1.00 C HETATM 1254 C31 PNS A 101 7.772 11.354 13.153 1.00 1.00 C HETATM 1255 C32 PNS A 101 5.831 10.705 11.710 1.00 1.00 C HETATM 1256 O33 PNS A 101 6.552 9.521 11.413 1.00 1.00 O HETATM 1257 C34 PNS A 101 4.917 10.455 12.906 1.00 1.00 C HETATM 1258 O35 PNS A 101 5.281 9.731 13.835 1.00 1.00 O HETATM 1259 N36 PNS A 101 3.739 11.062 12.879 1.00 1.00 N HETATM 1260 C37 PNS A 101 2.784 10.904 13.968 1.00 1.00 C HETATM 1261 C38 PNS A 101 2.489 9.421 14.204 1.00 1.00 C HETATM 1262 C39 PNS A 101 2.480 8.673 12.875 1.00 1.00 C HETATM 1263 O40 PNS A 101 1.468 8.641 12.177 1.00 1.00 O HETATM 1264 N41 PNS A 101 3.616 8.075 12.531 1.00 1.00 N HETATM 1265 C42 PNS A 101 3.729 7.332 11.282 1.00 1.00 C HETATM 1266 C43 PNS A 101 2.530 6.389 11.116 1.00 1.00 C HETATM 1267 S44 PNS A 101 3.031 4.943 10.187 1.00 1.00 S HETATM 0 H432 PNS A 101 2.149 6.092 12.093 1.00 1.00 H new HETATM 0 H431 PNS A 101 1.719 6.903 10.600 1.00 1.00 H new HETATM 0 H422 PNS A 101 4.656 6.758 11.274 1.00 1.00 H new HETATM 0 H421 PNS A 101 3.775 8.024 10.441 1.00 1.00 H new HETATM 0 H382 PNS A 101 1.525 9.308 14.701 1.00 1.00 H new HETATM 0 H381 PNS A 101 3.241 8.993 14.866 1.00 1.00 H new HETATM 0 H372 PNS A 101 1.861 11.432 13.731 1.00 1.00 H new HETATM 0 H371 PNS A 101 3.183 11.352 14.878 1.00 1.00 H new HETATM 0 H313 PNS A 101 7.187 11.119 14.042 1.00 1.00 H new HETATM 0 H312 PNS A 101 8.478 12.152 13.384 1.00 1.00 H new HETATM 0 H311 PNS A 101 8.319 10.467 12.834 1.00 1.00 H new HETATM 0 H303 PNS A 101 5.473 12.814 13.361 1.00 1.00 H new HETATM 0 H302 PNS A 101 5.397 13.373 11.673 1.00 1.00 H new HETATM 0 H301 PNS A 101 6.764 13.852 12.708 1.00 1.00 H new HETATM 0 H282 PNS A 101 7.028 12.581 10.017 1.00 1.00 H new HETATM 0 H281 PNS A 101 8.431 12.871 11.027 1.00 1.00 H new HETATM 0 H41 PNS A 101 4.423 8.137 13.152 1.00 1.00 H new HETATM 0 H36 PNS A 101 3.497 11.650 12.082 1.00 1.00 H new HETATM 0 H33 PNS A 101 7.344 9.745 10.881 1.00 1.00 H new HETATM 0 H32 PNS A 101 5.216 11.004 10.861 1.00 1.00 H new HETATM 1288 C1 DKA A 102 3.621 5.240 8.576 1.00 1.00 C HETATM 1289 O1 DKA A 102 3.696 6.347 8.090 1.00 1.00 O HETATM 1290 C2 DKA A 102 4.016 3.968 7.888 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.792 3.327 7.232 1.00 1.00 C HETATM 1292 C4 DKA A 102 2.283 4.228 6.104 1.00 1.00 C HETATM 1293 C5 DKA A 102 1.337 3.433 5.202 1.00 1.00 C HETATM 1294 C6 DKA A 102 0.866 4.320 4.051 1.00 1.00 C HETATM 1295 C7 DKA A 102 -0.239 3.602 3.274 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.604 4.419 2.033 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.454 3.564 1.090 1.00 1.00 C HETATM 1298 C10 DKA A 102 -2.795 3.246 1.755 1.00 1.00 C HETATM 0 H103 DKA A 102 -2.621 2.699 2.682 1.00 1.00 H new HETATM 0 H102 DKA A 102 -3.321 4.175 1.975 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.399 2.637 1.083 1.00 1.00 H new HETATM 0 H92 DKA A 102 -1.618 4.093 0.151 1.00 1.00 H new HETATM 0 H91 DKA A 102 -0.929 2.640 0.847 1.00 1.00 H new HETATM 0 H82 DKA A 102 -1.153 5.315 2.323 1.00 1.00 H new HETATM 0 H81 DKA A 102 0.301 4.751 1.524 1.00 1.00 H new HETATM 0 H72 DKA A 102 0.095 2.607 2.982 1.00 1.00 H new HETATM 0 H71 DKA A 102 -1.117 3.470 3.907 1.00 1.00 H new HETATM 0 H62 DKA A 102 0.496 5.270 4.437 1.00 1.00 H new HETATM 0 H61 DKA A 102 1.701 4.549 3.389 1.00 1.00 H new HETATM 0 H52 DKA A 102 1.845 2.551 4.811 1.00 1.00 H new HETATM 0 H51 DKA A 102 0.481 3.079 5.777 1.00 1.00 H new HETATM 0 H42 DKA A 102 1.765 5.092 6.520 1.00 1.00 H new HETATM 0 H41 DKA A 102 3.122 4.609 5.522 1.00 1.00 H new HETATM 0 H32 DKA A 102 3.051 2.344 6.837 1.00 1.00 H new HETATM 0 H31 DKA A 102 2.007 3.176 7.973 1.00 1.00 H new HETATM 0 H22 DKA A 102 4.777 4.173 7.135 1.00 1.00 H new HETATM 0 H21 DKA A 102 4.457 3.278 8.607 1.00 1.00 H new