USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 890 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 63 GLN : amide:sc= 0.361 K(o=-1.1,f=-1.8) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.338 K(o=-1.1,f=-2.6) USER MOD Set 1.3: A 70 GLN : amide:sc= -1.82 X(o=-1.1,f=-0.71) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 MET CE :methyl -137:sc= -2.31 (180deg=-2.66) USER MOD Set 2.3: A 50 ASN : amide:sc= 0.907 K(o=-1.4,f=-6.1!) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0.467 USER MOD Set 3.2: A 38 GLN : amide:sc= -1.47 X(o=-1,f=-0.91) USER MOD Set 4.1: A 16 SER OG : rot 77:sc= 1.04 USER MOD Set 4.2: A 59 ASN : amide:sc= 0.281 K(o=1.3,f=0.77) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.889 (180deg=0.889) USER MOD Single : A 3 LYS NZ :NH3+ -129:sc= 1.28 (180deg=-1.02) USER MOD Single : A 9 SER OG : rot 180:sc= -0.173 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0356 X(o=0.036,f=0) USER MOD Single : A 17 SER OG : rot 67:sc= 0.967 USER MOD Single : A 19 GLN : amide:sc= -0.862 X(o=-0.86,f=-0.51) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc=-0.000152 X(o=-0.00015,f=-0.00015) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0296 F(o=-1.5,f=-0.03) USER MOD Single : A 26 TYR OH : rot 130:sc= -1.6! USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 23:sc= 0.118 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= 0.887 (180deg=-0.00904) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.665 (180deg=-1.45!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.32) USER MOD Single : A 71 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0.582 (180deg=0.368) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0814) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 50:sc= 0.144 USER MOD Single : A 92 THR OG1 : rot 90:sc= 1.38 USER MOD Single : A 93 GLN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -75:sc= 0.94 USER MOD Single : A 104 SER OG : rot -45:sc= 0.181 USER MOD Single : A 107 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.12) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.26) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc=-0.000141 X(o=-0.00014,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.200 0.679 14.776 1.00 52.22 N ATOM 2 CA MET A 1 3.259 1.659 15.052 1.00 4.03 C ATOM 3 C MET A 1 3.727 2.269 13.721 1.00 72.21 C ATOM 4 O MET A 1 3.544 3.472 13.481 1.00 61.32 O ATOM 5 CB MET A 1 4.434 0.991 15.831 1.00 51.23 C ATOM 6 CG MET A 1 5.565 1.950 16.272 1.00 32.33 C ATOM 7 SD MET A 1 6.503 2.629 14.882 1.00 62.54 S ATOM 8 CE MET A 1 7.640 3.749 15.687 1.00 42.42 C ATOM 0 H1 MET A 1 1.874 0.259 15.670 1.00 52.22 H new ATOM 0 H2 MET A 1 1.403 1.153 14.306 1.00 52.22 H new ATOM 0 H3 MET A 1 2.572 -0.069 14.157 1.00 52.22 H new ATOM 0 HA MET A 1 2.874 2.458 15.686 1.00 4.03 H new ATOM 0 HB2 MET A 1 4.029 0.502 16.717 1.00 51.23 H new ATOM 0 HB3 MET A 1 4.866 0.210 15.205 1.00 51.23 H new ATOM 0 HG2 MET A 1 5.134 2.770 16.847 1.00 32.33 H new ATOM 0 HG3 MET A 1 6.246 1.418 16.936 1.00 32.33 H new ATOM 0 HE1 MET A 1 8.271 4.228 14.938 1.00 42.42 H new ATOM 0 HE2 MET A 1 7.079 4.510 16.229 1.00 42.42 H new ATOM 0 HE3 MET A 1 8.265 3.193 16.386 1.00 42.42 H new ATOM 20 N GLY A 2 4.316 1.405 12.859 1.00 50.33 N ATOM 21 CA GLY A 2 4.829 1.803 11.546 1.00 14.42 C ATOM 22 C GLY A 2 3.779 2.430 10.625 1.00 62.52 C ATOM 23 O GLY A 2 2.570 2.264 10.832 1.00 72.41 O ATOM 0 H GLY A 2 4.444 0.414 13.064 1.00 50.33 H new ATOM 0 HA2 GLY A 2 5.643 2.514 11.687 1.00 14.42 H new ATOM 0 HA3 GLY A 2 5.252 0.928 11.053 1.00 14.42 H new ATOM 27 N LYS A 3 4.263 3.129 9.595 1.00 44.35 N ATOM 28 CA LYS A 3 3.437 3.973 8.716 1.00 31.13 C ATOM 29 C LYS A 3 3.322 3.317 7.333 1.00 4.30 C ATOM 30 O LYS A 3 4.336 2.917 6.773 1.00 2.32 O ATOM 31 CB LYS A 3 4.091 5.375 8.604 1.00 74.44 C ATOM 32 CG LYS A 3 3.189 6.459 7.978 1.00 4.23 C ATOM 33 CD LYS A 3 3.932 7.773 7.692 1.00 54.02 C ATOM 34 CE LYS A 3 4.675 8.341 8.913 1.00 21.40 C ATOM 35 NZ LYS A 3 5.468 9.540 8.549 1.00 34.14 N ATOM 0 H LYS A 3 5.251 3.127 9.342 1.00 44.35 H new ATOM 0 HA LYS A 3 2.435 4.080 9.131 1.00 31.13 H new ATOM 0 HB2 LYS A 3 4.391 5.702 9.600 1.00 74.44 H new ATOM 0 HB3 LYS A 3 5.000 5.290 8.009 1.00 74.44 H new ATOM 0 HG2 LYS A 3 2.766 6.078 7.048 1.00 4.23 H new ATOM 0 HG3 LYS A 3 2.354 6.660 8.649 1.00 4.23 H new ATOM 0 HD2 LYS A 3 4.648 7.608 6.887 1.00 54.02 H new ATOM 0 HD3 LYS A 3 3.217 8.514 7.336 1.00 54.02 H new ATOM 0 HE2 LYS A 3 3.957 8.599 9.691 1.00 21.40 H new ATOM 0 HE3 LYS A 3 5.334 7.578 9.328 1.00 21.40 H new ATOM 0 HZ1 LYS A 3 6.444 9.427 8.890 1.00 34.14 H new ATOM 0 HZ2 LYS A 3 5.473 9.652 7.515 1.00 34.14 H new ATOM 0 HZ3 LYS A 3 5.044 10.383 8.986 1.00 34.14 H new ATOM 49 N VAL A 4 2.095 3.202 6.791 1.00 12.25 N ATOM 50 CA VAL A 4 1.839 2.481 5.524 1.00 42.24 C ATOM 51 C VAL A 4 1.190 3.408 4.475 1.00 0.04 C ATOM 52 O VAL A 4 0.409 4.294 4.821 1.00 31.01 O ATOM 53 CB VAL A 4 0.902 1.236 5.747 1.00 45.14 C ATOM 54 CG1 VAL A 4 0.862 0.344 4.488 1.00 2.13 C ATOM 55 CG2 VAL A 4 1.317 0.419 6.986 1.00 43.40 C ATOM 0 H VAL A 4 1.257 3.602 7.213 1.00 12.25 H new ATOM 0 HA VAL A 4 2.808 2.140 5.159 1.00 42.24 H new ATOM 0 HB VAL A 4 -0.103 1.616 5.931 1.00 45.14 H new ATOM 0 HG11 VAL A 4 0.208 -0.509 4.667 1.00 2.13 H new ATOM 0 HG12 VAL A 4 0.482 0.921 3.645 1.00 2.13 H new ATOM 0 HG13 VAL A 4 1.867 -0.011 4.261 1.00 2.13 H new ATOM 0 HG21 VAL A 4 0.645 -0.431 7.103 1.00 43.40 H new ATOM 0 HG22 VAL A 4 2.338 0.059 6.859 1.00 43.40 H new ATOM 0 HG23 VAL A 4 1.262 1.050 7.873 1.00 43.40 H new ATOM 65 N LEU A 5 1.551 3.197 3.200 1.00 3.24 N ATOM 66 CA LEU A 5 0.932 3.843 2.037 1.00 44.33 C ATOM 67 C LEU A 5 0.034 2.819 1.322 1.00 74.13 C ATOM 68 O LEU A 5 0.525 1.826 0.792 1.00 54.33 O ATOM 69 CB LEU A 5 2.037 4.350 1.072 1.00 64.32 C ATOM 70 CG LEU A 5 1.556 4.933 -0.297 1.00 23.03 C ATOM 71 CD1 LEU A 5 0.633 6.143 -0.103 1.00 42.10 C ATOM 72 CD2 LEU A 5 2.751 5.277 -1.204 1.00 41.25 C ATOM 0 H LEU A 5 2.301 2.555 2.945 1.00 3.24 H new ATOM 0 HA LEU A 5 0.331 4.694 2.358 1.00 44.33 H new ATOM 0 HB2 LEU A 5 2.612 5.119 1.587 1.00 64.32 H new ATOM 0 HB3 LEU A 5 2.719 3.524 0.870 1.00 64.32 H new ATOM 0 HG LEU A 5 0.972 4.159 -0.796 1.00 23.03 H new ATOM 0 HD11 LEU A 5 0.319 6.521 -1.076 1.00 42.10 H new ATOM 0 HD12 LEU A 5 -0.244 5.843 0.470 1.00 42.10 H new ATOM 0 HD13 LEU A 5 1.168 6.926 0.435 1.00 42.10 H new ATOM 0 HD21 LEU A 5 2.386 5.680 -2.149 1.00 41.25 H new ATOM 0 HD22 LEU A 5 3.380 6.019 -0.712 1.00 41.25 H new ATOM 0 HD23 LEU A 5 3.334 4.376 -1.395 1.00 41.25 H new ATOM 84 N LEU A 6 -1.272 3.068 1.317 1.00 71.14 N ATOM 85 CA LEU A 6 -2.256 2.219 0.639 1.00 41.53 C ATOM 86 C LEU A 6 -2.395 2.690 -0.822 1.00 14.10 C ATOM 87 O LEU A 6 -2.980 3.740 -1.080 1.00 5.51 O ATOM 88 CB LEU A 6 -3.620 2.312 1.382 1.00 22.22 C ATOM 89 CG LEU A 6 -4.736 1.319 0.918 1.00 43.24 C ATOM 90 CD1 LEU A 6 -4.328 -0.142 1.191 1.00 24.35 C ATOM 91 CD2 LEU A 6 -6.090 1.662 1.577 1.00 0.11 C ATOM 0 H LEU A 6 -1.685 3.873 1.788 1.00 71.14 H new ATOM 0 HA LEU A 6 -1.931 1.179 0.648 1.00 41.53 H new ATOM 0 HB2 LEU A 6 -3.441 2.152 2.445 1.00 22.22 H new ATOM 0 HB3 LEU A 6 -4.000 3.328 1.272 1.00 22.22 H new ATOM 0 HG LEU A 6 -4.857 1.428 -0.160 1.00 43.24 H new ATOM 0 HD11 LEU A 6 -5.123 -0.810 0.858 1.00 24.35 H new ATOM 0 HD12 LEU A 6 -3.411 -0.371 0.649 1.00 24.35 H new ATOM 0 HD13 LEU A 6 -4.162 -0.280 2.259 1.00 24.35 H new ATOM 0 HD21 LEU A 6 -6.849 0.957 1.238 1.00 0.11 H new ATOM 0 HD22 LEU A 6 -5.994 1.598 2.661 1.00 0.11 H new ATOM 0 HD23 LEU A 6 -6.384 2.674 1.298 1.00 0.11 H new ATOM 103 N VAL A 7 -1.809 1.931 -1.769 1.00 32.24 N ATOM 104 CA VAL A 7 -1.906 2.219 -3.212 1.00 23.33 C ATOM 105 C VAL A 7 -3.140 1.508 -3.799 1.00 35.23 C ATOM 106 O VAL A 7 -3.170 0.278 -3.949 1.00 23.42 O ATOM 107 CB VAL A 7 -0.610 1.774 -3.996 1.00 31.35 C ATOM 108 CG1 VAL A 7 -0.724 2.073 -5.521 1.00 65.20 C ATOM 109 CG2 VAL A 7 0.645 2.445 -3.394 1.00 55.14 C ATOM 0 H VAL A 7 -1.256 1.102 -1.554 1.00 32.24 H new ATOM 0 HA VAL A 7 -2.004 3.298 -3.328 1.00 23.33 H new ATOM 0 HB VAL A 7 -0.513 0.694 -3.886 1.00 31.35 H new ATOM 0 HG11 VAL A 7 0.188 1.752 -6.024 1.00 65.20 H new ATOM 0 HG12 VAL A 7 -1.576 1.533 -5.935 1.00 65.20 H new ATOM 0 HG13 VAL A 7 -0.864 3.143 -5.672 1.00 65.20 H new ATOM 0 HG21 VAL A 7 1.529 2.127 -3.947 1.00 55.14 H new ATOM 0 HG22 VAL A 7 0.546 3.528 -3.461 1.00 55.14 H new ATOM 0 HG23 VAL A 7 0.747 2.154 -2.349 1.00 55.14 H new ATOM 119 N ILE A 8 -4.162 2.315 -4.081 1.00 24.33 N ATOM 120 CA ILE A 8 -5.402 1.911 -4.752 1.00 73.51 C ATOM 121 C ILE A 8 -5.359 2.454 -6.197 1.00 75.11 C ATOM 122 O ILE A 8 -4.658 3.443 -6.471 1.00 51.34 O ATOM 123 CB ILE A 8 -6.634 2.519 -3.975 1.00 74.04 C ATOM 124 CG1 ILE A 8 -6.623 2.069 -2.482 1.00 33.34 C ATOM 125 CG2 ILE A 8 -8.002 2.209 -4.642 1.00 70.02 C ATOM 126 CD1 ILE A 8 -7.626 2.800 -1.612 1.00 50.24 C ATOM 0 H ILE A 8 -4.151 3.306 -3.840 1.00 24.33 H new ATOM 0 HA ILE A 8 -5.501 0.826 -4.767 1.00 73.51 H new ATOM 0 HB ILE A 8 -6.518 3.602 -4.019 1.00 74.04 H new ATOM 0 HG12 ILE A 8 -6.827 0.999 -2.434 1.00 33.34 H new ATOM 0 HG13 ILE A 8 -5.624 2.222 -2.074 1.00 33.34 H new ATOM 0 HG21 ILE A 8 -8.803 2.657 -4.054 1.00 70.02 H new ATOM 0 HG22 ILE A 8 -8.017 2.622 -5.651 1.00 70.02 H new ATOM 0 HG23 ILE A 8 -8.147 1.130 -4.690 1.00 70.02 H new ATOM 0 HD11 ILE A 8 -7.557 2.431 -0.589 1.00 50.24 H new ATOM 0 HD12 ILE A 8 -7.411 3.868 -1.628 1.00 50.24 H new ATOM 0 HD13 ILE A 8 -8.632 2.627 -1.993 1.00 50.24 H new ATOM 138 N SER A 9 -6.095 1.808 -7.103 1.00 0.13 N ATOM 139 CA SER A 9 -6.253 2.253 -8.494 1.00 21.31 C ATOM 140 C SER A 9 -7.404 1.479 -9.135 1.00 24.14 C ATOM 141 O SER A 9 -7.653 0.318 -8.790 1.00 33.52 O ATOM 142 CB SER A 9 -4.956 2.053 -9.319 1.00 15.22 C ATOM 143 OG SER A 9 -5.092 2.512 -10.656 1.00 20.31 O ATOM 0 H SER A 9 -6.605 0.951 -6.892 1.00 0.13 H new ATOM 0 HA SER A 9 -6.470 3.321 -8.489 1.00 21.31 H new ATOM 0 HB2 SER A 9 -4.136 2.584 -8.836 1.00 15.22 H new ATOM 0 HB3 SER A 9 -4.691 0.996 -9.325 1.00 15.22 H new ATOM 0 HG SER A 9 -4.251 2.368 -11.138 1.00 20.31 H new ATOM 149 N THR A 10 -8.088 2.134 -10.075 1.00 54.24 N ATOM 150 CA THR A 10 -9.196 1.541 -10.843 1.00 32.44 C ATOM 151 C THR A 10 -8.646 0.572 -11.928 1.00 72.40 C ATOM 152 O THR A 10 -9.396 -0.233 -12.497 1.00 44.14 O ATOM 153 CB THR A 10 -10.038 2.694 -11.489 1.00 4.00 C ATOM 154 OG1 THR A 10 -10.328 3.689 -10.485 1.00 62.23 O ATOM 155 CG2 THR A 10 -11.369 2.212 -12.107 1.00 54.25 C ATOM 0 H THR A 10 -7.890 3.101 -10.331 1.00 54.24 H new ATOM 0 HA THR A 10 -9.837 0.960 -10.180 1.00 32.44 H new ATOM 0 HB THR A 10 -9.436 3.104 -12.300 1.00 4.00 H new ATOM 0 HG1 THR A 10 -10.853 4.413 -10.885 1.00 62.23 H new ATOM 0 HG21 THR A 10 -11.900 3.062 -12.536 1.00 54.25 H new ATOM 0 HG22 THR A 10 -11.163 1.481 -12.889 1.00 54.25 H new ATOM 0 HG23 THR A 10 -11.984 1.753 -11.333 1.00 54.25 H new ATOM 163 N ASP A 11 -7.318 0.638 -12.170 1.00 70.32 N ATOM 164 CA ASP A 11 -6.635 -0.145 -13.212 1.00 33.33 C ATOM 165 C ASP A 11 -5.487 -0.965 -12.578 1.00 24.45 C ATOM 166 O ASP A 11 -4.406 -0.427 -12.275 1.00 52.15 O ATOM 167 CB ASP A 11 -6.099 0.813 -14.312 1.00 4.11 C ATOM 168 CG ASP A 11 -5.722 0.090 -15.622 1.00 24.31 C ATOM 169 OD1 ASP A 11 -4.764 -0.708 -15.622 1.00 51.25 O ATOM 170 OD2 ASP A 11 -6.389 0.309 -16.656 1.00 33.54 O ATOM 0 H ASP A 11 -6.689 1.242 -11.641 1.00 70.32 H new ATOM 0 HA ASP A 11 -7.336 -0.841 -13.673 1.00 33.33 H new ATOM 0 HB2 ASP A 11 -6.856 1.568 -14.527 1.00 4.11 H new ATOM 0 HB3 ASP A 11 -5.224 1.339 -13.931 1.00 4.11 H new ATOM 175 N THR A 12 -5.727 -2.277 -12.411 1.00 42.12 N ATOM 176 CA THR A 12 -4.806 -3.208 -11.734 1.00 21.23 C ATOM 177 C THR A 12 -3.480 -3.412 -12.523 1.00 22.21 C ATOM 178 O THR A 12 -2.461 -3.789 -11.928 1.00 24.04 O ATOM 179 CB THR A 12 -5.530 -4.577 -11.480 1.00 24.43 C ATOM 180 OG1 THR A 12 -6.805 -4.322 -10.868 1.00 24.33 O ATOM 181 CG2 THR A 12 -4.737 -5.533 -10.568 1.00 62.10 C ATOM 0 H THR A 12 -6.578 -2.727 -12.747 1.00 42.12 H new ATOM 0 HA THR A 12 -4.528 -2.766 -10.777 1.00 21.23 H new ATOM 0 HB THR A 12 -5.631 -5.064 -12.450 1.00 24.43 H new ATOM 0 HG1 THR A 12 -7.266 -5.172 -10.707 1.00 24.33 H new ATOM 0 HG21 THR A 12 -5.297 -6.459 -10.436 1.00 62.10 H new ATOM 0 HG22 THR A 12 -3.772 -5.755 -11.024 1.00 62.10 H new ATOM 0 HG23 THR A 12 -4.580 -5.063 -9.597 1.00 62.10 H new ATOM 189 N ASN A 13 -3.493 -3.134 -13.854 1.00 2.14 N ATOM 190 CA ASN A 13 -2.270 -3.200 -14.694 1.00 54.44 C ATOM 191 C ASN A 13 -1.294 -2.087 -14.279 1.00 0.42 C ATOM 192 O ASN A 13 -0.075 -2.298 -14.269 1.00 25.14 O ATOM 193 CB ASN A 13 -2.573 -3.063 -16.213 1.00 35.15 C ATOM 194 CG ASN A 13 -3.561 -4.097 -16.743 1.00 21.33 C ATOM 195 OD1 ASN A 13 -3.188 -5.217 -17.085 1.00 22.12 O ATOM 196 ND2 ASN A 13 -4.829 -3.719 -16.842 1.00 41.35 N ATOM 0 H ASN A 13 -4.333 -2.863 -14.365 1.00 2.14 H new ATOM 0 HA ASN A 13 -1.830 -4.184 -14.532 1.00 54.44 H new ATOM 0 HB2 ASN A 13 -2.968 -2.066 -16.406 1.00 35.15 H new ATOM 0 HB3 ASN A 13 -1.639 -3.149 -16.769 1.00 35.15 H new ATOM 0 HD21 ASN A 13 -5.527 -4.365 -17.211 1.00 41.35 H new ATOM 0 HD22 ASN A 13 -5.106 -2.782 -16.549 1.00 41.35 H new ATOM 203 N ILE A 14 -1.853 -0.907 -13.911 1.00 32.21 N ATOM 204 CA ILE A 14 -1.058 0.256 -13.477 1.00 63.14 C ATOM 205 C ILE A 14 -0.405 -0.059 -12.111 1.00 40.03 C ATOM 206 O ILE A 14 0.789 0.200 -11.911 1.00 11.11 O ATOM 207 CB ILE A 14 -1.945 1.564 -13.399 1.00 11.21 C ATOM 208 CG1 ILE A 14 -2.571 1.914 -14.793 1.00 33.21 C ATOM 209 CG2 ILE A 14 -1.153 2.767 -12.839 1.00 4.31 C ATOM 210 CD1 ILE A 14 -1.582 2.206 -15.916 1.00 51.14 C ATOM 0 H ILE A 14 -2.859 -0.741 -13.908 1.00 32.21 H new ATOM 0 HA ILE A 14 -0.277 0.447 -14.213 1.00 63.14 H new ATOM 0 HB ILE A 14 -2.758 1.353 -12.704 1.00 11.21 H new ATOM 0 HG12 ILE A 14 -3.207 1.084 -15.102 1.00 33.21 H new ATOM 0 HG13 ILE A 14 -3.218 2.783 -14.671 1.00 33.21 H new ATOM 0 HG21 ILE A 14 -1.800 3.643 -12.803 1.00 4.31 H new ATOM 0 HG22 ILE A 14 -0.800 2.534 -11.834 1.00 4.31 H new ATOM 0 HG23 ILE A 14 -0.299 2.973 -13.485 1.00 4.31 H new ATOM 0 HD11 ILE A 14 -2.128 2.435 -16.831 1.00 51.14 H new ATOM 0 HD12 ILE A 14 -0.961 3.058 -15.641 1.00 51.14 H new ATOM 0 HD13 ILE A 14 -0.949 1.334 -16.080 1.00 51.14 H new ATOM 222 N ILE A 15 -1.208 -0.671 -11.206 1.00 55.23 N ATOM 223 CA ILE A 15 -0.747 -1.163 -9.885 1.00 72.00 C ATOM 224 C ILE A 15 0.450 -2.119 -10.044 1.00 41.51 C ATOM 225 O ILE A 15 1.451 -1.988 -9.340 1.00 24.15 O ATOM 226 CB ILE A 15 -1.920 -1.896 -9.111 1.00 64.31 C ATOM 227 CG1 ILE A 15 -3.084 -0.903 -8.831 1.00 0.13 C ATOM 228 CG2 ILE A 15 -1.437 -2.572 -7.802 1.00 60.33 C ATOM 229 CD1 ILE A 15 -4.286 -1.493 -8.108 1.00 54.11 C ATOM 0 H ILE A 15 -2.200 -0.838 -11.374 1.00 55.23 H new ATOM 0 HA ILE A 15 -0.432 -0.297 -9.303 1.00 72.00 H new ATOM 0 HB ILE A 15 -2.285 -2.696 -9.756 1.00 64.31 H new ATOM 0 HG12 ILE A 15 -2.697 -0.073 -8.239 1.00 0.13 H new ATOM 0 HG13 ILE A 15 -3.421 -0.487 -9.781 1.00 0.13 H new ATOM 0 HG21 ILE A 15 -2.280 -3.059 -7.312 1.00 60.33 H new ATOM 0 HG22 ILE A 15 -0.674 -3.315 -8.036 1.00 60.33 H new ATOM 0 HG23 ILE A 15 -1.017 -1.818 -7.137 1.00 60.33 H new ATOM 0 HD11 ILE A 15 -5.039 -0.719 -7.962 1.00 54.11 H new ATOM 0 HD12 ILE A 15 -4.708 -2.302 -8.704 1.00 54.11 H new ATOM 0 HD13 ILE A 15 -3.973 -1.882 -7.139 1.00 54.11 H new ATOM 241 N SER A 16 0.336 -3.050 -11.009 1.00 41.00 N ATOM 242 CA SER A 16 1.350 -4.077 -11.274 1.00 61.51 C ATOM 243 C SER A 16 2.630 -3.477 -11.900 1.00 51.24 C ATOM 244 O SER A 16 3.719 -3.967 -11.633 1.00 12.12 O ATOM 245 CB SER A 16 0.752 -5.179 -12.166 1.00 44.53 C ATOM 246 OG SER A 16 -0.386 -5.766 -11.549 1.00 23.34 O ATOM 0 H SER A 16 -0.471 -3.108 -11.630 1.00 41.00 H new ATOM 0 HA SER A 16 1.648 -4.517 -10.322 1.00 61.51 H new ATOM 0 HB2 SER A 16 0.471 -4.759 -13.132 1.00 44.53 H new ATOM 0 HB3 SER A 16 1.503 -5.945 -12.358 1.00 44.53 H new ATOM 0 HG SER A 16 -1.155 -5.165 -11.641 1.00 23.34 H new ATOM 252 N SER A 17 2.486 -2.417 -12.727 1.00 35.35 N ATOM 253 CA SER A 17 3.644 -1.696 -13.319 1.00 42.52 C ATOM 254 C SER A 17 4.530 -1.080 -12.224 1.00 55.24 C ATOM 255 O SER A 17 5.759 -1.251 -12.214 1.00 24.12 O ATOM 256 CB SER A 17 3.147 -0.592 -14.274 1.00 15.14 C ATOM 257 OG SER A 17 2.289 -1.124 -15.259 1.00 40.32 O ATOM 0 H SER A 17 1.580 -2.039 -13.002 1.00 35.35 H new ATOM 0 HA SER A 17 4.242 -2.416 -13.878 1.00 42.52 H new ATOM 0 HB2 SER A 17 2.622 0.176 -13.706 1.00 15.14 H new ATOM 0 HB3 SER A 17 3.999 -0.109 -14.752 1.00 15.14 H new ATOM 0 HG SER A 17 1.462 -1.439 -14.837 1.00 40.32 H new ATOM 263 N VAL A 18 3.857 -0.392 -11.294 1.00 72.04 N ATOM 264 CA VAL A 18 4.492 0.300 -10.161 1.00 15.23 C ATOM 265 C VAL A 18 5.023 -0.720 -9.130 1.00 55.30 C ATOM 266 O VAL A 18 6.040 -0.484 -8.483 1.00 45.44 O ATOM 267 CB VAL A 18 3.466 1.284 -9.498 1.00 55.55 C ATOM 268 CG1 VAL A 18 4.090 2.079 -8.330 1.00 55.41 C ATOM 269 CG2 VAL A 18 2.869 2.232 -10.561 1.00 64.55 C ATOM 0 H VAL A 18 2.841 -0.298 -11.306 1.00 72.04 H new ATOM 0 HA VAL A 18 5.341 0.876 -10.528 1.00 15.23 H new ATOM 0 HB VAL A 18 2.662 0.684 -9.073 1.00 55.55 H new ATOM 0 HG11 VAL A 18 3.341 2.746 -7.903 1.00 55.41 H new ATOM 0 HG12 VAL A 18 4.438 1.387 -7.563 1.00 55.41 H new ATOM 0 HG13 VAL A 18 4.932 2.666 -8.698 1.00 55.41 H new ATOM 0 HG21 VAL A 18 2.159 2.909 -10.087 1.00 64.55 H new ATOM 0 HG22 VAL A 18 3.669 2.811 -11.023 1.00 64.55 H new ATOM 0 HG23 VAL A 18 2.357 1.646 -11.325 1.00 64.55 H new ATOM 279 N GLN A 19 4.315 -1.857 -9.020 1.00 12.31 N ATOM 280 CA GLN A 19 4.689 -2.994 -8.157 1.00 65.54 C ATOM 281 C GLN A 19 6.057 -3.559 -8.579 1.00 15.50 C ATOM 282 O GLN A 19 6.991 -3.573 -7.780 1.00 23.41 O ATOM 283 CB GLN A 19 3.586 -4.082 -8.252 1.00 62.34 C ATOM 284 CG GLN A 19 3.881 -5.420 -7.546 1.00 11.55 C ATOM 285 CD GLN A 19 2.823 -6.504 -7.805 1.00 43.53 C ATOM 286 OE1 GLN A 19 3.141 -7.696 -7.853 1.00 54.55 O ATOM 287 NE2 GLN A 19 1.555 -6.117 -7.933 1.00 64.11 N ATOM 0 H GLN A 19 3.450 -2.016 -9.537 1.00 12.31 H new ATOM 0 HA GLN A 19 4.774 -2.660 -7.123 1.00 65.54 H new ATOM 0 HB2 GLN A 19 2.665 -3.672 -7.837 1.00 62.34 H new ATOM 0 HB3 GLN A 19 3.397 -4.286 -9.306 1.00 62.34 H new ATOM 0 HG2 GLN A 19 4.853 -5.788 -7.876 1.00 11.55 H new ATOM 0 HG3 GLN A 19 3.954 -5.245 -6.473 1.00 11.55 H new ATOM 0 HE21 GLN A 19 1.317 -5.126 -7.890 1.00 64.11 H new ATOM 0 HE22 GLN A 19 0.822 -6.812 -8.074 1.00 64.11 H new ATOM 296 N GLU A 20 6.158 -3.968 -9.868 1.00 33.20 N ATOM 297 CA GLU A 20 7.379 -4.559 -10.456 1.00 34.43 C ATOM 298 C GLU A 20 8.555 -3.582 -10.363 1.00 25.44 C ATOM 299 O GLU A 20 9.666 -3.974 -10.004 1.00 44.03 O ATOM 300 CB GLU A 20 7.137 -4.937 -11.941 1.00 22.14 C ATOM 301 CG GLU A 20 6.060 -6.015 -12.173 1.00 53.03 C ATOM 302 CD GLU A 20 5.729 -6.191 -13.663 1.00 1.43 C ATOM 303 OE1 GLU A 20 4.941 -5.384 -14.205 1.00 43.11 O ATOM 304 OE2 GLU A 20 6.280 -7.102 -14.311 1.00 52.34 O ATOM 0 H GLU A 20 5.386 -3.895 -10.531 1.00 33.20 H new ATOM 0 HA GLU A 20 7.622 -5.459 -9.891 1.00 34.43 H new ATOM 0 HB2 GLU A 20 6.853 -4.038 -12.487 1.00 22.14 H new ATOM 0 HB3 GLU A 20 8.077 -5.286 -12.369 1.00 22.14 H new ATOM 0 HG2 GLU A 20 6.405 -6.965 -11.764 1.00 53.03 H new ATOM 0 HG3 GLU A 20 5.154 -5.744 -11.630 1.00 53.03 H new ATOM 311 N ARG A 21 8.279 -2.298 -10.671 1.00 43.30 N ATOM 312 CA ARG A 21 9.296 -1.246 -10.696 1.00 23.44 C ATOM 313 C ARG A 21 9.871 -1.017 -9.291 1.00 71.53 C ATOM 314 O ARG A 21 11.068 -1.147 -9.092 1.00 1.33 O ATOM 315 CB ARG A 21 8.691 0.060 -11.269 1.00 41.13 C ATOM 316 CG ARG A 21 9.703 1.222 -11.408 1.00 40.53 C ATOM 317 CD ARG A 21 9.089 2.466 -12.065 1.00 14.31 C ATOM 318 NE ARG A 21 8.568 2.182 -13.417 1.00 60.44 N ATOM 319 CZ ARG A 21 7.486 2.756 -13.974 1.00 3.01 C ATOM 320 NH1 ARG A 21 6.765 3.661 -13.315 1.00 21.33 N ATOM 321 NH2 ARG A 21 7.131 2.410 -15.198 1.00 5.53 N ATOM 0 H ARG A 21 7.343 -1.969 -10.908 1.00 43.30 H new ATOM 0 HA ARG A 21 10.114 -1.561 -11.343 1.00 23.44 H new ATOM 0 HB2 ARG A 21 8.261 -0.151 -12.248 1.00 41.13 H new ATOM 0 HB3 ARG A 21 7.873 0.381 -10.624 1.00 41.13 H new ATOM 0 HG2 ARG A 21 10.083 1.487 -10.422 1.00 40.53 H new ATOM 0 HG3 ARG A 21 10.556 0.887 -11.999 1.00 40.53 H new ATOM 0 HD2 ARG A 21 8.282 2.845 -11.438 1.00 14.31 H new ATOM 0 HD3 ARG A 21 9.842 3.252 -12.125 1.00 14.31 H new ATOM 0 HE ARG A 21 9.071 1.493 -13.976 1.00 60.44 H new ATOM 0 HH11 ARG A 21 7.029 3.932 -12.368 1.00 21.33 H new ATOM 0 HH12 ARG A 21 5.949 4.083 -13.757 1.00 21.33 H new ATOM 0 HH21 ARG A 21 7.675 1.715 -15.710 1.00 5.53 H new ATOM 0 HH22 ARG A 21 6.313 2.838 -15.632 1.00 5.53 H new ATOM 335 N ALA A 22 8.984 -0.764 -8.320 1.00 20.14 N ATOM 336 CA ALA A 22 9.367 -0.424 -6.936 1.00 31.32 C ATOM 337 C ALA A 22 10.101 -1.599 -6.245 1.00 3.32 C ATOM 338 O ALA A 22 11.009 -1.382 -5.442 1.00 61.02 O ATOM 339 CB ALA A 22 8.124 0.010 -6.147 1.00 32.20 C ATOM 0 H ALA A 22 7.975 -0.789 -8.469 1.00 20.14 H new ATOM 0 HA ALA A 22 10.069 0.409 -6.963 1.00 31.32 H new ATOM 0 HB1 ALA A 22 8.410 0.260 -5.126 1.00 32.20 H new ATOM 0 HB2 ALA A 22 7.677 0.883 -6.623 1.00 32.20 H new ATOM 0 HB3 ALA A 22 7.400 -0.805 -6.131 1.00 32.20 H new ATOM 345 N LYS A 23 9.710 -2.843 -6.591 1.00 14.32 N ATOM 346 CA LYS A 23 10.370 -4.074 -6.095 1.00 51.20 C ATOM 347 C LYS A 23 11.760 -4.282 -6.732 1.00 41.04 C ATOM 348 O LYS A 23 12.639 -4.862 -6.103 1.00 25.24 O ATOM 349 CB LYS A 23 9.483 -5.319 -6.363 1.00 40.34 C ATOM 350 CG LYS A 23 8.203 -5.395 -5.507 1.00 10.31 C ATOM 351 CD LYS A 23 7.271 -6.566 -5.908 1.00 43.10 C ATOM 352 CE LYS A 23 7.915 -7.953 -5.723 1.00 54.40 C ATOM 353 NZ LYS A 23 7.026 -9.040 -6.217 1.00 44.42 N ATOM 0 H LYS A 23 8.929 -3.025 -7.221 1.00 14.32 H new ATOM 0 HA LYS A 23 10.505 -3.950 -5.021 1.00 51.20 H new ATOM 0 HB2 LYS A 23 9.201 -5.327 -7.416 1.00 40.34 H new ATOM 0 HB3 LYS A 23 10.076 -6.216 -6.185 1.00 40.34 H new ATOM 0 HG2 LYS A 23 8.480 -5.502 -4.458 1.00 10.31 H new ATOM 0 HG3 LYS A 23 7.656 -4.456 -5.598 1.00 10.31 H new ATOM 0 HD2 LYS A 23 6.359 -6.515 -5.313 1.00 43.10 H new ATOM 0 HD3 LYS A 23 6.978 -6.446 -6.951 1.00 43.10 H new ATOM 0 HE2 LYS A 23 8.865 -7.988 -6.257 1.00 54.40 H new ATOM 0 HE3 LYS A 23 8.136 -8.114 -4.668 1.00 54.40 H new ATOM 0 HZ1 LYS A 23 7.491 -9.960 -6.077 1.00 44.42 H new ATOM 0 HZ2 LYS A 23 6.129 -9.022 -5.690 1.00 44.42 H new ATOM 0 HZ3 LYS A 23 6.835 -8.899 -7.230 1.00 44.42 H new ATOM 367 N HIS A 24 11.935 -3.849 -7.998 1.00 24.01 N ATOM 368 CA HIS A 24 13.232 -3.980 -8.723 1.00 34.11 C ATOM 369 C HIS A 24 14.172 -2.790 -8.419 1.00 40.03 C ATOM 370 O HIS A 24 15.392 -2.905 -8.562 1.00 15.02 O ATOM 371 CB HIS A 24 12.997 -4.114 -10.257 1.00 23.45 C ATOM 372 CG HIS A 24 12.328 -5.401 -10.689 1.00 62.14 C ATOM 373 ND1 HIS A 24 11.956 -5.652 -11.995 1.00 62.54 N ATOM 374 CD2 HIS A 24 11.967 -6.505 -9.986 1.00 11.04 C ATOM 375 CE1 HIS A 24 11.401 -6.845 -12.073 1.00 51.41 C ATOM 376 NE2 HIS A 24 11.398 -7.381 -10.870 1.00 43.23 N ATOM 0 H HIS A 24 11.199 -3.404 -8.546 1.00 24.01 H new ATOM 0 HA HIS A 24 13.718 -4.888 -8.367 1.00 34.11 H new ATOM 0 HB2 HIS A 24 12.387 -3.275 -10.591 1.00 23.45 H new ATOM 0 HB3 HIS A 24 13.958 -4.032 -10.766 1.00 23.45 H new ATOM 0 HD2 HIS A 24 12.104 -6.663 -8.926 1.00 11.04 H new ATOM 0 HE1 HIS A 24 11.015 -7.305 -12.971 1.00 51.41 H new ATOM 0 HE2 HIS A 24 11.030 -8.303 -10.635 1.00 43.23 H new ATOM 385 N ASN A 25 13.586 -1.657 -7.997 1.00 30.11 N ATOM 386 CA ASN A 25 14.332 -0.426 -7.658 1.00 53.13 C ATOM 387 C ASN A 25 14.806 -0.471 -6.199 1.00 14.24 C ATOM 388 O ASN A 25 15.820 0.143 -5.857 1.00 45.54 O ATOM 389 CB ASN A 25 13.449 0.840 -7.905 1.00 10.12 C ATOM 390 CG ASN A 25 13.229 1.197 -9.390 1.00 22.10 C ATOM 391 OD1 ASN A 25 13.139 0.210 -10.274 1.00 21.32 O flip ATOM 392 ND2 ASN A 25 13.124 2.374 -9.738 1.00 53.23 N flip ATOM 0 H ASN A 25 12.577 -1.565 -7.880 1.00 30.11 H new ATOM 0 HA ASN A 25 15.207 -0.366 -8.306 1.00 53.13 H new ATOM 0 HB2 ASN A 25 12.478 0.685 -7.436 1.00 10.12 H new ATOM 0 HB3 ASN A 25 13.912 1.691 -7.406 1.00 10.12 H new ATOM 0 HD21 ASN A 25 13.196 3.119 -9.045 1.00 53.23 H new ATOM 0 HD22 ASN A 25 12.965 2.604 -10.719 1.00 53.23 H new ATOM 399 N TYR A 26 14.059 -1.197 -5.345 1.00 73.11 N ATOM 400 CA TYR A 26 14.317 -1.289 -3.889 1.00 1.30 C ATOM 401 C TYR A 26 14.510 -2.764 -3.478 1.00 61.13 C ATOM 402 O TYR A 26 14.239 -3.653 -4.286 1.00 73.31 O ATOM 403 CB TYR A 26 13.138 -0.593 -3.130 1.00 42.24 C ATOM 404 CG TYR A 26 13.077 0.901 -3.459 1.00 61.10 C ATOM 405 CD1 TYR A 26 14.102 1.756 -3.043 1.00 14.24 C ATOM 406 CD2 TYR A 26 12.056 1.439 -4.249 1.00 61.32 C ATOM 407 CE1 TYR A 26 14.115 3.083 -3.406 1.00 73.41 C ATOM 408 CE2 TYR A 26 12.058 2.777 -4.598 1.00 24.23 C ATOM 409 CZ TYR A 26 13.098 3.588 -4.179 1.00 12.24 C ATOM 410 OH TYR A 26 13.135 4.904 -4.570 1.00 33.25 O ATOM 0 H TYR A 26 13.251 -1.742 -5.646 1.00 73.11 H new ATOM 0 HA TYR A 26 15.239 -0.773 -3.623 1.00 1.30 H new ATOM 0 HB2 TYR A 26 12.195 -1.067 -3.403 1.00 42.24 H new ATOM 0 HB3 TYR A 26 13.263 -0.727 -2.056 1.00 42.24 H new ATOM 0 HD1 TYR A 26 14.898 1.368 -2.425 1.00 14.24 H new ATOM 0 HD2 TYR A 26 11.255 0.801 -4.591 1.00 61.32 H new ATOM 0 HE1 TYR A 26 14.922 3.725 -3.084 1.00 73.41 H new ATOM 0 HE2 TYR A 26 11.254 3.186 -5.193 1.00 24.23 H new ATOM 0 HH TYR A 26 12.984 4.962 -5.537 1.00 33.25 H new ATOM 420 N PRO A 27 15.027 -3.062 -2.235 1.00 53.51 N ATOM 421 CA PRO A 27 15.202 -4.469 -1.757 1.00 40.43 C ATOM 422 C PRO A 27 13.883 -5.104 -1.249 1.00 50.01 C ATOM 423 O PRO A 27 13.889 -5.848 -0.256 1.00 1.35 O ATOM 424 CB PRO A 27 16.240 -4.293 -0.617 1.00 63.31 C ATOM 425 CG PRO A 27 15.917 -2.945 -0.039 1.00 22.01 C ATOM 426 CD PRO A 27 15.527 -2.078 -1.219 1.00 40.24 C ATOM 0 HA PRO A 27 15.519 -5.152 -2.545 1.00 40.43 H new ATOM 0 HB2 PRO A 27 16.149 -5.081 0.131 1.00 63.31 H new ATOM 0 HB3 PRO A 27 17.261 -4.331 -0.997 1.00 63.31 H new ATOM 0 HG2 PRO A 27 15.103 -3.013 0.683 1.00 22.01 H new ATOM 0 HG3 PRO A 27 16.776 -2.528 0.487 1.00 22.01 H new ATOM 0 HD2 PRO A 27 14.756 -1.356 -0.948 1.00 40.24 H new ATOM 0 HD3 PRO A 27 16.377 -1.510 -1.597 1.00 40.24 H new ATOM 434 N GLY A 28 12.768 -4.846 -1.979 1.00 3.45 N ATOM 435 CA GLY A 28 11.434 -5.311 -1.592 1.00 43.32 C ATOM 436 C GLY A 28 11.018 -4.790 -0.220 1.00 14.14 C ATOM 437 O GLY A 28 11.297 -3.622 0.084 1.00 1.23 O ATOM 0 H GLY A 28 12.780 -4.311 -2.847 1.00 3.45 H new ATOM 0 HA2 GLY A 28 10.708 -4.987 -2.337 1.00 43.32 H new ATOM 0 HA3 GLY A 28 11.419 -6.401 -1.585 1.00 43.32 H new ATOM 441 N ARG A 29 10.353 -5.665 0.579 1.00 53.14 N ATOM 442 CA ARG A 29 10.024 -5.462 2.015 1.00 10.11 C ATOM 443 C ARG A 29 9.043 -4.291 2.224 1.00 73.22 C ATOM 444 O ARG A 29 7.865 -4.501 2.549 1.00 51.24 O ATOM 445 CB ARG A 29 11.310 -5.281 2.885 1.00 75.21 C ATOM 446 CG ARG A 29 12.373 -6.384 2.682 1.00 3.30 C ATOM 447 CD ARG A 29 13.580 -6.239 3.623 1.00 52.01 C ATOM 448 NE ARG A 29 14.643 -7.214 3.306 1.00 73.13 N ATOM 449 CZ ARG A 29 14.828 -8.396 3.914 1.00 54.15 C ATOM 450 NH1 ARG A 29 14.037 -8.804 4.905 1.00 2.50 N ATOM 451 NH2 ARG A 29 15.810 -9.181 3.501 1.00 4.21 N ATOM 0 H ARG A 29 10.019 -6.563 0.229 1.00 53.14 H new ATOM 0 HA ARG A 29 9.523 -6.370 2.351 1.00 10.11 H new ATOM 0 HB2 ARG A 29 11.758 -4.314 2.655 1.00 75.21 H new ATOM 0 HB3 ARG A 29 11.023 -5.257 3.936 1.00 75.21 H new ATOM 0 HG2 ARG A 29 11.911 -7.359 2.840 1.00 3.30 H new ATOM 0 HG3 ARG A 29 12.720 -6.360 1.649 1.00 3.30 H new ATOM 0 HD2 ARG A 29 13.980 -5.228 3.548 1.00 52.01 H new ATOM 0 HD3 ARG A 29 13.256 -6.378 4.654 1.00 52.01 H new ATOM 0 HE ARG A 29 15.293 -6.968 2.560 1.00 73.13 H new ATOM 0 HH11 ARG A 29 13.267 -8.213 5.220 1.00 2.50 H new ATOM 0 HH12 ARG A 29 14.201 -9.707 5.349 1.00 2.50 H new ATOM 0 HH21 ARG A 29 16.411 -8.884 2.732 1.00 4.21 H new ATOM 0 HH22 ARG A 29 15.966 -10.083 3.951 1.00 4.21 H new ATOM 465 N TYR A 30 9.575 -3.067 2.024 1.00 31.41 N ATOM 466 CA TYR A 30 8.823 -1.797 1.983 1.00 52.33 C ATOM 467 C TYR A 30 7.616 -1.884 1.033 1.00 44.23 C ATOM 468 O TYR A 30 6.604 -1.226 1.247 1.00 62.21 O ATOM 469 CB TYR A 30 9.765 -0.664 1.518 1.00 53.20 C ATOM 470 CG TYR A 30 10.981 -0.434 2.417 1.00 41.22 C ATOM 471 CD1 TYR A 30 10.870 0.315 3.588 1.00 43.32 C ATOM 472 CD2 TYR A 30 12.236 -0.963 2.094 1.00 50.31 C ATOM 473 CE1 TYR A 30 11.953 0.528 4.407 1.00 44.21 C ATOM 474 CE2 TYR A 30 13.327 -0.753 2.910 1.00 5.33 C ATOM 475 CZ TYR A 30 13.183 -0.012 4.065 1.00 41.04 C ATOM 476 OH TYR A 30 14.277 0.195 4.876 1.00 32.42 O ATOM 0 H TYR A 30 10.576 -2.932 1.882 1.00 31.41 H new ATOM 0 HA TYR A 30 8.447 -1.591 2.985 1.00 52.33 H new ATOM 0 HB2 TYR A 30 10.113 -0.890 0.510 1.00 53.20 H new ATOM 0 HB3 TYR A 30 9.194 0.263 1.458 1.00 53.20 H new ATOM 0 HD1 TYR A 30 9.913 0.737 3.857 1.00 43.32 H new ATOM 0 HD2 TYR A 30 12.351 -1.545 1.191 1.00 50.31 H new ATOM 0 HE1 TYR A 30 11.847 1.111 5.310 1.00 44.21 H new ATOM 0 HE2 TYR A 30 14.289 -1.166 2.647 1.00 5.33 H new ATOM 0 HH TYR A 30 15.059 -0.253 4.491 1.00 32.42 H new ATOM 486 N ILE A 31 7.753 -2.700 -0.022 1.00 40.20 N ATOM 487 CA ILE A 31 6.663 -2.974 -0.961 1.00 31.03 C ATOM 488 C ILE A 31 6.057 -4.341 -0.601 1.00 41.25 C ATOM 489 O ILE A 31 6.761 -5.363 -0.541 1.00 45.40 O ATOM 490 CB ILE A 31 7.141 -2.971 -2.468 1.00 15.44 C ATOM 491 CG1 ILE A 31 7.568 -1.537 -2.946 1.00 55.30 C ATOM 492 CG2 ILE A 31 6.037 -3.544 -3.404 1.00 54.02 C ATOM 493 CD1 ILE A 31 8.867 -0.988 -2.364 1.00 54.30 C ATOM 0 H ILE A 31 8.621 -3.186 -0.245 1.00 40.20 H new ATOM 0 HA ILE A 31 5.922 -2.179 -0.872 1.00 31.03 H new ATOM 0 HB ILE A 31 8.019 -3.615 -2.524 1.00 15.44 H new ATOM 0 HG12 ILE A 31 7.659 -1.552 -4.032 1.00 55.30 H new ATOM 0 HG13 ILE A 31 6.764 -0.842 -2.703 1.00 55.30 H new ATOM 0 HG21 ILE A 31 6.391 -3.531 -4.435 1.00 54.02 H new ATOM 0 HG22 ILE A 31 5.808 -4.569 -3.112 1.00 54.02 H new ATOM 0 HG23 ILE A 31 5.137 -2.934 -3.322 1.00 54.02 H new ATOM 0 HD11 ILE A 31 9.055 0.007 -2.768 1.00 54.30 H new ATOM 0 HD12 ILE A 31 8.783 -0.929 -1.279 1.00 54.30 H new ATOM 0 HD13 ILE A 31 9.692 -1.649 -2.628 1.00 54.30 H new ATOM 505 N ARG A 32 4.754 -4.328 -0.333 1.00 1.30 N ATOM 506 CA ARG A 32 3.961 -5.513 -0.009 1.00 21.12 C ATOM 507 C ARG A 32 2.672 -5.463 -0.835 1.00 21.25 C ATOM 508 O ARG A 32 2.124 -4.384 -1.063 1.00 33.30 O ATOM 509 CB ARG A 32 3.650 -5.524 1.513 1.00 2.40 C ATOM 510 CG ARG A 32 2.990 -6.819 2.035 1.00 14.11 C ATOM 511 CD ARG A 32 3.830 -8.072 1.751 1.00 21.05 C ATOM 512 NE ARG A 32 5.201 -7.933 2.274 1.00 72.25 N ATOM 513 CZ ARG A 32 6.320 -8.338 1.654 1.00 3.31 C ATOM 514 NH1 ARG A 32 6.267 -8.925 0.461 1.00 10.45 N ATOM 515 NH2 ARG A 32 7.491 -8.128 2.234 1.00 25.34 N ATOM 0 H ARG A 32 4.204 -3.469 -0.335 1.00 1.30 H new ATOM 0 HA ARG A 32 4.506 -6.426 -0.248 1.00 21.12 H new ATOM 0 HB2 ARG A 32 4.579 -5.362 2.060 1.00 2.40 H new ATOM 0 HB3 ARG A 32 2.995 -4.683 1.741 1.00 2.40 H new ATOM 0 HG2 ARG A 32 2.829 -6.731 3.109 1.00 14.11 H new ATOM 0 HG3 ARG A 32 2.009 -6.933 1.574 1.00 14.11 H new ATOM 0 HD2 ARG A 32 3.353 -8.941 2.204 1.00 21.05 H new ATOM 0 HD3 ARG A 32 3.866 -8.252 0.676 1.00 21.05 H new ATOM 0 HE ARG A 32 5.309 -7.490 3.187 1.00 72.25 H new ATOM 0 HH11 ARG A 32 5.367 -9.073 0.005 1.00 10.45 H new ATOM 0 HH12 ARG A 32 7.127 -9.227 0.003 1.00 10.45 H new ATOM 0 HH21 ARG A 32 7.535 -7.664 3.141 1.00 25.34 H new ATOM 0 HH22 ARG A 32 8.350 -8.431 1.774 1.00 25.34 H new ATOM 529 N THR A 33 2.198 -6.620 -1.297 1.00 21.43 N ATOM 530 CA THR A 33 0.967 -6.718 -2.094 1.00 23.23 C ATOM 531 C THR A 33 -0.094 -7.488 -1.306 1.00 2.44 C ATOM 532 O THR A 33 0.223 -8.443 -0.582 1.00 74.10 O ATOM 533 CB THR A 33 1.237 -7.416 -3.463 1.00 32.42 C ATOM 534 OG1 THR A 33 1.784 -8.728 -3.245 1.00 34.43 O ATOM 535 CG2 THR A 33 2.210 -6.602 -4.330 1.00 25.34 C ATOM 0 H THR A 33 2.654 -7.517 -1.131 1.00 21.43 H new ATOM 0 HA THR A 33 0.606 -5.710 -2.299 1.00 23.23 H new ATOM 0 HB THR A 33 0.285 -7.489 -3.989 1.00 32.42 H new ATOM 0 HG1 THR A 33 1.949 -9.161 -4.108 1.00 34.43 H new ATOM 0 HG21 THR A 33 2.374 -7.119 -5.276 1.00 25.34 H new ATOM 0 HG22 THR A 33 1.787 -5.616 -4.524 1.00 25.34 H new ATOM 0 HG23 THR A 33 3.160 -6.493 -3.806 1.00 25.34 H new ATOM 543 N ALA A 34 -1.351 -7.054 -1.437 1.00 53.12 N ATOM 544 CA ALA A 34 -2.493 -7.675 -0.777 1.00 41.30 C ATOM 545 C ALA A 34 -3.592 -7.966 -1.807 1.00 11.24 C ATOM 546 O ALA A 34 -4.122 -7.045 -2.440 1.00 13.33 O ATOM 547 CB ALA A 34 -3.004 -6.756 0.335 1.00 14.20 C ATOM 0 H ALA A 34 -1.603 -6.251 -2.013 1.00 53.12 H new ATOM 0 HA ALA A 34 -2.191 -8.621 -0.328 1.00 41.30 H new ATOM 0 HB1 ALA A 34 -3.858 -7.221 0.828 1.00 14.20 H new ATOM 0 HB2 ALA A 34 -2.210 -6.590 1.064 1.00 14.20 H new ATOM 0 HB3 ALA A 34 -3.308 -5.801 -0.093 1.00 14.20 H new ATOM 553 N THR A 35 -3.895 -9.259 -1.986 1.00 62.44 N ATOM 554 CA THR A 35 -4.963 -9.732 -2.885 1.00 44.11 C ATOM 555 C THR A 35 -6.214 -10.147 -2.071 1.00 24.31 C ATOM 556 O THR A 35 -7.314 -10.313 -2.629 1.00 61.31 O ATOM 557 CB THR A 35 -4.444 -10.911 -3.777 1.00 3.33 C ATOM 558 OG1 THR A 35 -5.475 -11.351 -4.673 1.00 2.41 O ATOM 559 CG2 THR A 35 -3.930 -12.103 -2.947 1.00 23.41 C ATOM 0 H THR A 35 -3.403 -10.014 -1.508 1.00 62.44 H new ATOM 0 HA THR A 35 -5.253 -8.915 -3.546 1.00 44.11 H new ATOM 0 HB THR A 35 -3.599 -10.524 -4.347 1.00 3.33 H new ATOM 0 HG1 THR A 35 -6.127 -10.630 -4.801 1.00 2.41 H new ATOM 0 HG21 THR A 35 -3.583 -12.890 -3.617 1.00 23.41 H new ATOM 0 HG22 THR A 35 -3.106 -11.776 -2.313 1.00 23.41 H new ATOM 0 HG23 THR A 35 -4.737 -12.487 -2.323 1.00 23.41 H new ATOM 567 N SER A 36 -6.038 -10.298 -0.747 1.00 63.43 N ATOM 568 CA SER A 36 -7.118 -10.640 0.190 1.00 4.40 C ATOM 569 C SER A 36 -7.023 -9.770 1.453 1.00 4.31 C ATOM 570 O SER A 36 -5.985 -9.155 1.737 1.00 43.23 O ATOM 571 CB SER A 36 -7.043 -12.137 0.573 1.00 74.34 C ATOM 572 OG SER A 36 -7.056 -12.972 -0.572 1.00 3.22 O ATOM 0 H SER A 36 -5.131 -10.184 -0.294 1.00 63.43 H new ATOM 0 HA SER A 36 -8.073 -10.449 -0.299 1.00 4.40 H new ATOM 0 HB2 SER A 36 -6.135 -12.321 1.147 1.00 74.34 H new ATOM 0 HB3 SER A 36 -7.885 -12.390 1.218 1.00 74.34 H new ATOM 0 HG SER A 36 -7.006 -13.910 -0.293 1.00 3.22 H new ATOM 578 N SER A 37 -8.125 -9.756 2.209 1.00 32.40 N ATOM 579 CA SER A 37 -8.218 -9.080 3.503 1.00 74.23 C ATOM 580 C SER A 37 -7.338 -9.761 4.563 1.00 0.31 C ATOM 581 O SER A 37 -6.933 -9.121 5.530 1.00 64.14 O ATOM 582 CB SER A 37 -9.679 -9.076 3.949 1.00 10.20 C ATOM 583 OG SER A 37 -10.195 -10.393 4.064 1.00 14.01 O ATOM 0 H SER A 37 -8.990 -10.222 1.933 1.00 32.40 H new ATOM 0 HA SER A 37 -7.855 -8.058 3.393 1.00 74.23 H new ATOM 0 HB2 SER A 37 -9.765 -8.566 4.908 1.00 10.20 H new ATOM 0 HB3 SER A 37 -10.277 -8.512 3.233 1.00 10.20 H new ATOM 0 HG SER A 37 -11.131 -10.354 4.353 1.00 14.01 H new ATOM 589 N GLN A 38 -7.076 -11.071 4.377 1.00 21.45 N ATOM 590 CA GLN A 38 -6.168 -11.834 5.246 1.00 10.15 C ATOM 591 C GLN A 38 -4.722 -11.357 5.059 1.00 15.11 C ATOM 592 O GLN A 38 -3.975 -11.311 6.026 1.00 64.54 O ATOM 593 CB GLN A 38 -6.278 -13.368 5.000 1.00 70.21 C ATOM 594 CG GLN A 38 -7.569 -14.018 5.551 1.00 41.31 C ATOM 595 CD GLN A 38 -8.861 -13.557 4.866 1.00 71.33 C ATOM 596 OE1 GLN A 38 -9.910 -13.450 5.503 1.00 2.33 O ATOM 597 NE2 GLN A 38 -8.826 -13.364 3.552 1.00 20.31 N ATOM 0 H GLN A 38 -7.487 -11.623 3.624 1.00 21.45 H new ATOM 0 HA GLN A 38 -6.469 -11.650 6.277 1.00 10.15 H new ATOM 0 HB2 GLN A 38 -6.222 -13.556 3.928 1.00 70.21 H new ATOM 0 HB3 GLN A 38 -5.417 -13.858 5.455 1.00 70.21 H new ATOM 0 HG2 GLN A 38 -7.486 -15.100 5.450 1.00 41.31 H new ATOM 0 HG3 GLN A 38 -7.642 -13.802 6.617 1.00 41.31 H new ATOM 0 HE21 GLN A 38 -7.945 -13.458 3.046 1.00 20.31 H new ATOM 0 HE22 GLN A 38 -9.680 -13.122 3.049 1.00 20.31 H new ATOM 606 N ASP A 39 -4.332 -11.010 3.806 1.00 43.24 N ATOM 607 CA ASP A 39 -3.023 -10.367 3.536 1.00 11.20 C ATOM 608 C ASP A 39 -2.961 -9.007 4.241 1.00 33.10 C ATOM 609 O ASP A 39 -2.031 -8.743 4.990 1.00 15.13 O ATOM 610 CB ASP A 39 -2.773 -10.160 2.013 1.00 1.43 C ATOM 611 CG ASP A 39 -2.721 -11.464 1.210 1.00 20.23 C ATOM 612 OD1 ASP A 39 -1.705 -12.183 1.298 1.00 14.14 O ATOM 613 OD2 ASP A 39 -3.686 -11.773 0.477 1.00 61.43 O ATOM 0 H ASP A 39 -4.901 -11.164 2.974 1.00 43.24 H new ATOM 0 HA ASP A 39 -2.249 -11.033 3.918 1.00 11.20 H new ATOM 0 HB2 ASP A 39 -3.562 -9.526 1.608 1.00 1.43 H new ATOM 0 HB3 ASP A 39 -1.833 -9.624 1.878 1.00 1.43 H new ATOM 618 N ILE A 40 -4.011 -8.188 4.017 1.00 53.20 N ATOM 619 CA ILE A 40 -4.123 -6.811 4.547 1.00 43.24 C ATOM 620 C ILE A 40 -3.963 -6.757 6.081 1.00 12.23 C ATOM 621 O ILE A 40 -3.065 -6.083 6.594 1.00 62.41 O ATOM 622 CB ILE A 40 -5.496 -6.150 4.083 1.00 74.00 C ATOM 623 CG1 ILE A 40 -5.390 -5.714 2.582 1.00 61.33 C ATOM 624 CG2 ILE A 40 -5.952 -4.990 4.993 1.00 51.43 C ATOM 625 CD1 ILE A 40 -6.548 -4.914 2.021 1.00 62.53 C ATOM 0 H ILE A 40 -4.815 -8.468 3.456 1.00 53.20 H new ATOM 0 HA ILE A 40 -3.299 -6.231 4.131 1.00 43.24 H new ATOM 0 HB ILE A 40 -6.275 -6.906 4.178 1.00 74.00 H new ATOM 0 HG12 ILE A 40 -4.480 -5.125 2.462 1.00 61.33 H new ATOM 0 HG13 ILE A 40 -5.271 -6.611 1.975 1.00 61.33 H new ATOM 0 HG21 ILE A 40 -6.893 -4.584 4.621 1.00 51.43 H new ATOM 0 HG22 ILE A 40 -6.092 -5.358 6.009 1.00 51.43 H new ATOM 0 HG23 ILE A 40 -5.194 -4.207 4.992 1.00 51.43 H new ATOM 0 HD11 ILE A 40 -6.353 -4.675 0.976 1.00 62.53 H new ATOM 0 HD12 ILE A 40 -7.464 -5.500 2.094 1.00 62.53 H new ATOM 0 HD13 ILE A 40 -6.661 -3.991 2.589 1.00 62.53 H new ATOM 637 N ARG A 41 -4.820 -7.488 6.803 1.00 24.23 N ATOM 638 CA ARG A 41 -4.843 -7.469 8.274 1.00 20.01 C ATOM 639 C ARG A 41 -3.571 -8.121 8.863 1.00 13.42 C ATOM 640 O ARG A 41 -3.142 -7.747 9.954 1.00 23.22 O ATOM 641 CB ARG A 41 -6.153 -8.126 8.784 1.00 61.51 C ATOM 642 CG ARG A 41 -7.424 -7.276 8.488 1.00 54.51 C ATOM 643 CD ARG A 41 -8.749 -7.967 8.894 1.00 64.34 C ATOM 644 NE ARG A 41 -9.268 -8.871 7.838 1.00 52.44 N ATOM 645 CZ ARG A 41 -9.410 -10.201 7.936 1.00 73.53 C ATOM 646 NH1 ARG A 41 -9.057 -10.851 9.042 1.00 64.21 N ATOM 647 NH2 ARG A 41 -9.930 -10.875 6.924 1.00 51.02 N ATOM 0 H ARG A 41 -5.516 -8.108 6.388 1.00 24.23 H new ATOM 0 HA ARG A 41 -4.836 -6.436 8.623 1.00 20.01 H new ATOM 0 HB2 ARG A 41 -6.264 -9.106 8.321 1.00 61.51 H new ATOM 0 HB3 ARG A 41 -6.075 -8.288 9.859 1.00 61.51 H new ATOM 0 HG2 ARG A 41 -7.345 -6.326 9.016 1.00 54.51 H new ATOM 0 HG3 ARG A 41 -7.456 -7.047 7.423 1.00 54.51 H new ATOM 0 HD2 ARG A 41 -8.592 -8.537 9.810 1.00 64.34 H new ATOM 0 HD3 ARG A 41 -9.498 -7.207 9.116 1.00 64.34 H new ATOM 0 HE ARG A 41 -9.542 -8.441 6.955 1.00 52.44 H new ATOM 0 HH11 ARG A 41 -8.671 -10.337 9.834 1.00 64.21 H new ATOM 0 HH12 ARG A 41 -9.173 -11.863 9.098 1.00 64.21 H new ATOM 0 HH21 ARG A 41 -10.219 -10.383 6.078 1.00 51.02 H new ATOM 0 HH22 ARG A 41 -10.042 -11.887 6.989 1.00 51.02 H new ATOM 661 N ASP A 42 -2.954 -9.055 8.100 1.00 41.34 N ATOM 662 CA ASP A 42 -1.632 -9.648 8.431 1.00 1.24 C ATOM 663 C ASP A 42 -0.525 -8.575 8.380 1.00 0.23 C ATOM 664 O ASP A 42 0.404 -8.580 9.201 1.00 15.25 O ATOM 665 CB ASP A 42 -1.313 -10.806 7.441 1.00 32.30 C ATOM 666 CG ASP A 42 0.136 -11.321 7.500 1.00 34.20 C ATOM 667 OD1 ASP A 42 0.464 -12.114 8.405 1.00 63.13 O ATOM 668 OD2 ASP A 42 0.957 -10.933 6.637 1.00 54.41 O ATOM 0 H ASP A 42 -3.357 -9.420 7.237 1.00 41.34 H new ATOM 0 HA ASP A 42 -1.670 -10.047 9.445 1.00 1.24 H new ATOM 0 HB2 ASP A 42 -1.988 -11.637 7.645 1.00 32.30 H new ATOM 0 HB3 ASP A 42 -1.523 -10.467 6.427 1.00 32.30 H new ATOM 673 N ILE A 43 -0.654 -7.661 7.397 1.00 74.33 N ATOM 674 CA ILE A 43 0.301 -6.570 7.174 1.00 43.02 C ATOM 675 C ILE A 43 0.265 -5.610 8.372 1.00 1.12 C ATOM 676 O ILE A 43 1.300 -5.296 8.945 1.00 31.54 O ATOM 677 CB ILE A 43 -0.028 -5.814 5.829 1.00 2.11 C ATOM 678 CG1 ILE A 43 0.255 -6.722 4.585 1.00 44.22 C ATOM 679 CG2 ILE A 43 0.723 -4.476 5.721 1.00 25.10 C ATOM 680 CD1 ILE A 43 -0.374 -6.240 3.281 1.00 41.01 C ATOM 0 H ILE A 43 -1.430 -7.664 6.735 1.00 74.33 H new ATOM 0 HA ILE A 43 1.307 -6.981 7.083 1.00 43.02 H new ATOM 0 HB ILE A 43 -1.093 -5.584 5.844 1.00 2.11 H new ATOM 0 HG12 ILE A 43 1.333 -6.796 4.445 1.00 44.22 H new ATOM 0 HG13 ILE A 43 -0.109 -7.727 4.797 1.00 44.22 H new ATOM 0 HG21 ILE A 43 0.467 -3.990 4.780 1.00 25.10 H new ATOM 0 HG22 ILE A 43 0.438 -3.831 6.552 1.00 25.10 H new ATOM 0 HG23 ILE A 43 1.797 -4.658 5.755 1.00 25.10 H new ATOM 0 HD11 ILE A 43 -0.123 -6.933 2.478 1.00 41.01 H new ATOM 0 HD12 ILE A 43 -1.457 -6.194 3.395 1.00 41.01 H new ATOM 0 HD13 ILE A 43 0.008 -5.248 3.038 1.00 41.01 H new ATOM 692 N ILE A 44 -0.956 -5.217 8.763 1.00 51.31 N ATOM 693 CA ILE A 44 -1.204 -4.274 9.866 1.00 5.12 C ATOM 694 C ILE A 44 -0.713 -4.856 11.207 1.00 52.11 C ATOM 695 O ILE A 44 -0.097 -4.138 11.994 1.00 22.15 O ATOM 696 CB ILE A 44 -2.731 -3.901 9.922 1.00 40.53 C ATOM 697 CG1 ILE A 44 -3.152 -3.243 8.568 1.00 63.31 C ATOM 698 CG2 ILE A 44 -3.067 -2.980 11.125 1.00 22.03 C ATOM 699 CD1 ILE A 44 -4.623 -2.920 8.447 1.00 3.14 C ATOM 0 H ILE A 44 -1.811 -5.549 8.317 1.00 51.31 H new ATOM 0 HA ILE A 44 -0.638 -3.361 9.684 1.00 5.12 H new ATOM 0 HB ILE A 44 -3.303 -4.817 10.071 1.00 40.53 H new ATOM 0 HG12 ILE A 44 -2.581 -2.324 8.435 1.00 63.31 H new ATOM 0 HG13 ILE A 44 -2.874 -3.912 7.754 1.00 63.31 H new ATOM 0 HG21 ILE A 44 -4.132 -2.750 11.121 1.00 22.03 H new ATOM 0 HG22 ILE A 44 -2.809 -3.487 12.055 1.00 22.03 H new ATOM 0 HG23 ILE A 44 -2.496 -2.055 11.046 1.00 22.03 H new ATOM 0 HD11 ILE A 44 -4.817 -2.467 7.475 1.00 3.14 H new ATOM 0 HD12 ILE A 44 -5.206 -3.836 8.544 1.00 3.14 H new ATOM 0 HD13 ILE A 44 -4.909 -2.223 9.235 1.00 3.14 H new ATOM 711 N LYS A 45 -0.948 -6.175 11.419 1.00 73.44 N ATOM 712 CA LYS A 45 -0.424 -6.924 12.588 1.00 24.05 C ATOM 713 C LYS A 45 1.111 -6.806 12.673 1.00 14.24 C ATOM 714 O LYS A 45 1.666 -6.599 13.761 1.00 22.30 O ATOM 715 CB LYS A 45 -0.831 -8.422 12.515 1.00 1.44 C ATOM 716 CG LYS A 45 -2.317 -8.729 12.811 1.00 24.33 C ATOM 717 CD LYS A 45 -2.675 -10.209 12.502 1.00 44.11 C ATOM 718 CE LYS A 45 -1.816 -11.219 13.292 1.00 24.22 C ATOM 719 NZ LYS A 45 -2.061 -12.623 12.866 1.00 72.43 N ATOM 0 H LYS A 45 -1.505 -6.748 10.785 1.00 73.44 H new ATOM 0 HA LYS A 45 -0.861 -6.484 13.484 1.00 24.05 H new ATOM 0 HB2 LYS A 45 -0.593 -8.796 11.519 1.00 1.44 H new ATOM 0 HB3 LYS A 45 -0.216 -8.981 13.220 1.00 1.44 H new ATOM 0 HG2 LYS A 45 -2.530 -8.515 13.858 1.00 24.33 H new ATOM 0 HG3 LYS A 45 -2.949 -8.070 12.216 1.00 24.33 H new ATOM 0 HD2 LYS A 45 -3.727 -10.378 12.733 1.00 44.11 H new ATOM 0 HD3 LYS A 45 -2.550 -10.391 11.435 1.00 44.11 H new ATOM 0 HE2 LYS A 45 -0.761 -10.979 13.157 1.00 24.22 H new ATOM 0 HE3 LYS A 45 -2.031 -11.122 14.356 1.00 24.22 H new ATOM 0 HZ1 LYS A 45 -1.462 -13.265 13.424 1.00 72.43 H new ATOM 0 HZ2 LYS A 45 -3.061 -12.863 13.019 1.00 72.43 H new ATOM 0 HZ3 LYS A 45 -1.831 -12.725 11.857 1.00 72.43 H new ATOM 733 N SER A 46 1.774 -6.919 11.506 1.00 50.41 N ATOM 734 CA SER A 46 3.229 -6.804 11.397 1.00 61.52 C ATOM 735 C SER A 46 3.687 -5.356 11.651 1.00 12.33 C ATOM 736 O SER A 46 4.727 -5.137 12.271 1.00 51.42 O ATOM 737 CB SER A 46 3.695 -7.288 10.002 1.00 55.31 C ATOM 738 OG SER A 46 5.103 -7.218 9.864 1.00 31.52 O ATOM 0 H SER A 46 1.309 -7.093 10.615 1.00 50.41 H new ATOM 0 HA SER A 46 3.685 -7.436 12.159 1.00 61.52 H new ATOM 0 HB2 SER A 46 3.365 -8.315 9.845 1.00 55.31 H new ATOM 0 HB3 SER A 46 3.223 -6.680 9.230 1.00 55.31 H new ATOM 0 HG SER A 46 5.360 -7.533 8.972 1.00 31.52 H new ATOM 744 N MET A 47 2.878 -4.377 11.195 1.00 1.43 N ATOM 745 CA MET A 47 3.194 -2.939 11.311 1.00 72.43 C ATOM 746 C MET A 47 2.999 -2.426 12.749 1.00 33.23 C ATOM 747 O MET A 47 3.402 -1.306 13.066 1.00 31.15 O ATOM 748 CB MET A 47 2.346 -2.108 10.312 1.00 14.51 C ATOM 749 CG MET A 47 2.612 -2.451 8.837 1.00 54.41 C ATOM 750 SD MET A 47 4.351 -2.303 8.379 1.00 2.31 S ATOM 751 CE MET A 47 4.647 -0.558 8.643 1.00 75.42 C ATOM 0 H MET A 47 1.986 -4.562 10.736 1.00 1.43 H new ATOM 0 HA MET A 47 4.247 -2.815 11.059 1.00 72.43 H new ATOM 0 HB2 MET A 47 1.289 -2.266 10.527 1.00 14.51 H new ATOM 0 HB3 MET A 47 2.548 -1.049 10.471 1.00 14.51 H new ATOM 0 HG2 MET A 47 2.276 -3.469 8.641 1.00 54.41 H new ATOM 0 HG3 MET A 47 2.018 -1.792 8.204 1.00 54.41 H new ATOM 0 HE1 MET A 47 5.235 -0.160 7.816 1.00 75.42 H new ATOM 0 HE2 MET A 47 3.694 -0.031 8.697 1.00 75.42 H new ATOM 0 HE3 MET A 47 5.192 -0.419 9.576 1.00 75.42 H new ATOM 761 N LYS A 48 2.355 -3.237 13.605 1.00 24.45 N ATOM 762 CA LYS A 48 2.272 -2.964 15.051 1.00 14.54 C ATOM 763 C LYS A 48 3.603 -3.360 15.708 1.00 14.52 C ATOM 764 O LYS A 48 4.099 -2.676 16.607 1.00 51.43 O ATOM 765 CB LYS A 48 1.102 -3.748 15.705 1.00 61.41 C ATOM 766 CG LYS A 48 -0.270 -3.488 15.053 1.00 30.34 C ATOM 767 CD LYS A 48 -1.460 -4.030 15.870 1.00 25.43 C ATOM 768 CE LYS A 48 -1.461 -5.553 16.050 1.00 32.31 C ATOM 769 NZ LYS A 48 -2.588 -5.994 16.919 1.00 35.20 N ATOM 0 H LYS A 48 1.881 -4.093 13.318 1.00 24.45 H new ATOM 0 HA LYS A 48 2.082 -1.901 15.199 1.00 14.54 H new ATOM 0 HB2 LYS A 48 1.320 -4.815 15.655 1.00 61.41 H new ATOM 0 HB3 LYS A 48 1.047 -3.484 16.761 1.00 61.41 H new ATOM 0 HG2 LYS A 48 -0.397 -2.415 14.912 1.00 30.34 H new ATOM 0 HG3 LYS A 48 -0.284 -3.944 14.063 1.00 30.34 H new ATOM 0 HD2 LYS A 48 -1.455 -3.560 16.853 1.00 25.43 H new ATOM 0 HD3 LYS A 48 -2.387 -3.733 15.380 1.00 25.43 H new ATOM 0 HE2 LYS A 48 -1.539 -6.036 15.076 1.00 32.31 H new ATOM 0 HE3 LYS A 48 -0.515 -5.870 16.489 1.00 32.31 H new ATOM 0 HZ1 LYS A 48 -2.209 -6.422 17.788 1.00 35.20 H new ATOM 0 HZ2 LYS A 48 -3.178 -5.174 17.165 1.00 35.20 H new ATOM 0 HZ3 LYS A 48 -3.164 -6.695 16.411 1.00 35.20 H new ATOM 783 N ASP A 49 4.154 -4.481 15.217 1.00 32.14 N ATOM 784 CA ASP A 49 5.413 -5.070 15.696 1.00 13.51 C ATOM 785 C ASP A 49 6.643 -4.269 15.209 1.00 42.04 C ATOM 786 O ASP A 49 7.613 -4.108 15.961 1.00 54.32 O ATOM 787 CB ASP A 49 5.484 -6.554 15.236 1.00 5.23 C ATOM 788 CG ASP A 49 6.846 -7.230 15.498 1.00 43.05 C ATOM 789 OD1 ASP A 49 7.199 -7.438 16.681 1.00 1.13 O ATOM 790 OD2 ASP A 49 7.566 -7.554 14.525 1.00 22.02 O ATOM 0 H ASP A 49 3.727 -5.014 14.460 1.00 32.14 H new ATOM 0 HA ASP A 49 5.431 -5.029 16.785 1.00 13.51 H new ATOM 0 HB2 ASP A 49 4.705 -7.120 15.748 1.00 5.23 H new ATOM 0 HB3 ASP A 49 5.265 -6.603 14.169 1.00 5.23 H new ATOM 795 N ASN A 50 6.598 -3.746 13.963 1.00 13.44 N ATOM 796 CA ASN A 50 7.732 -2.985 13.372 1.00 35.30 C ATOM 797 C ASN A 50 7.401 -1.478 13.296 1.00 53.21 C ATOM 798 O ASN A 50 6.264 -1.062 13.561 1.00 32.32 O ATOM 799 CB ASN A 50 8.145 -3.542 11.966 1.00 20.15 C ATOM 800 CG ASN A 50 7.271 -3.075 10.786 1.00 22.03 C ATOM 801 OD1 ASN A 50 7.495 -2.003 10.218 1.00 33.13 O ATOM 802 ND2 ASN A 50 6.325 -3.892 10.365 1.00 62.00 N ATOM 0 H ASN A 50 5.792 -3.835 13.345 1.00 13.44 H new ATOM 0 HA ASN A 50 8.589 -3.116 14.032 1.00 35.30 H new ATOM 0 HB2 ASN A 50 9.177 -3.252 11.768 1.00 20.15 H new ATOM 0 HB3 ASN A 50 8.121 -4.631 12.005 1.00 20.15 H new ATOM 0 HD21 ASN A 50 5.760 -3.643 9.553 1.00 62.00 H new ATOM 0 HD22 ASN A 50 6.159 -4.773 10.851 1.00 62.00 H new ATOM 809 N GLY A 51 8.414 -0.675 12.913 1.00 31.15 N ATOM 810 CA GLY A 51 8.280 0.782 12.828 1.00 12.02 C ATOM 811 C GLY A 51 9.033 1.387 11.651 1.00 40.35 C ATOM 812 O GLY A 51 9.694 2.423 11.800 1.00 31.22 O ATOM 0 H GLY A 51 9.339 -1.021 12.657 1.00 31.15 H new ATOM 0 HA2 GLY A 51 7.224 1.039 12.746 1.00 12.02 H new ATOM 0 HA3 GLY A 51 8.646 1.228 13.753 1.00 12.02 H new ATOM 816 N LYS A 52 8.964 0.721 10.486 1.00 14.04 N ATOM 817 CA LYS A 52 9.461 1.264 9.197 1.00 73.30 C ATOM 818 C LYS A 52 8.266 1.778 8.348 1.00 31.23 C ATOM 819 O LYS A 52 7.106 1.529 8.713 1.00 35.33 O ATOM 820 CB LYS A 52 10.273 0.177 8.406 1.00 75.12 C ATOM 821 CG LYS A 52 11.710 -0.086 8.934 1.00 5.33 C ATOM 822 CD LYS A 52 11.773 -1.015 10.165 1.00 64.04 C ATOM 823 CE LYS A 52 11.330 -2.444 9.835 1.00 64.22 C ATOM 824 NZ LYS A 52 11.498 -3.359 10.986 1.00 61.22 N ATOM 0 H LYS A 52 8.562 -0.213 10.405 1.00 14.04 H new ATOM 0 HA LYS A 52 10.133 2.096 9.405 1.00 73.30 H new ATOM 0 HB2 LYS A 52 9.716 -0.760 8.431 1.00 75.12 H new ATOM 0 HB3 LYS A 52 10.337 0.482 7.361 1.00 75.12 H new ATOM 0 HG2 LYS A 52 12.305 -0.523 8.132 1.00 5.33 H new ATOM 0 HG3 LYS A 52 12.171 0.868 9.189 1.00 5.33 H new ATOM 0 HD2 LYS A 52 12.791 -1.033 10.553 1.00 64.04 H new ATOM 0 HD3 LYS A 52 11.138 -0.613 10.954 1.00 64.04 H new ATOM 0 HE2 LYS A 52 10.284 -2.437 9.528 1.00 64.22 H new ATOM 0 HE3 LYS A 52 11.908 -2.816 8.989 1.00 64.22 H new ATOM 0 HZ1 LYS A 52 10.884 -4.189 10.862 1.00 61.22 H new ATOM 0 HZ2 LYS A 52 12.490 -3.667 11.043 1.00 61.22 H new ATOM 0 HZ3 LYS A 52 11.239 -2.864 11.863 1.00 61.22 H new ATOM 838 N PRO A 53 8.517 2.540 7.227 1.00 64.14 N ATOM 839 CA PRO A 53 7.471 2.817 6.222 1.00 25.14 C ATOM 840 C PRO A 53 7.179 1.561 5.369 1.00 21.24 C ATOM 841 O PRO A 53 8.076 0.744 5.122 1.00 43.12 O ATOM 842 CB PRO A 53 8.077 3.969 5.376 1.00 55.14 C ATOM 843 CG PRO A 53 9.560 3.752 5.470 1.00 72.55 C ATOM 844 CD PRO A 53 9.800 3.223 6.875 1.00 63.15 C ATOM 0 HA PRO A 53 6.511 3.089 6.661 1.00 25.14 H new ATOM 0 HB2 PRO A 53 7.733 3.928 4.343 1.00 55.14 H new ATOM 0 HB3 PRO A 53 7.791 4.945 5.769 1.00 55.14 H new ATOM 0 HG2 PRO A 53 9.902 3.041 4.718 1.00 72.55 H new ATOM 0 HG3 PRO A 53 10.105 4.681 5.301 1.00 72.55 H new ATOM 0 HD2 PRO A 53 10.642 2.531 6.903 1.00 63.15 H new ATOM 0 HD3 PRO A 53 10.027 4.030 7.572 1.00 63.15 H new ATOM 852 N LEU A 54 5.923 1.400 4.953 1.00 22.02 N ATOM 853 CA LEU A 54 5.494 0.280 4.104 1.00 71.34 C ATOM 854 C LEU A 54 4.574 0.825 3.004 1.00 55.04 C ATOM 855 O LEU A 54 4.152 1.980 3.062 1.00 32.20 O ATOM 856 CB LEU A 54 4.774 -0.824 4.947 1.00 32.04 C ATOM 857 CG LEU A 54 5.010 -2.296 4.468 1.00 64.03 C ATOM 858 CD1 LEU A 54 6.455 -2.743 4.768 1.00 63.52 C ATOM 859 CD2 LEU A 54 3.991 -3.273 5.074 1.00 10.14 C ATOM 0 H LEU A 54 5.169 2.043 5.194 1.00 22.02 H new ATOM 0 HA LEU A 54 6.367 -0.188 3.650 1.00 71.34 H new ATOM 0 HB2 LEU A 54 5.104 -0.740 5.982 1.00 32.04 H new ATOM 0 HB3 LEU A 54 3.703 -0.624 4.937 1.00 32.04 H new ATOM 0 HG LEU A 54 4.862 -2.313 3.388 1.00 64.03 H new ATOM 0 HD11 LEU A 54 6.597 -3.769 4.427 1.00 63.52 H new ATOM 0 HD12 LEU A 54 7.154 -2.088 4.248 1.00 63.52 H new ATOM 0 HD13 LEU A 54 6.637 -2.689 5.841 1.00 63.52 H new ATOM 0 HD21 LEU A 54 4.194 -4.281 4.713 1.00 10.14 H new ATOM 0 HD22 LEU A 54 4.070 -3.254 6.161 1.00 10.14 H new ATOM 0 HD23 LEU A 54 2.984 -2.978 4.779 1.00 10.14 H new ATOM 871 N VAL A 55 4.269 -0.019 2.005 1.00 4.03 N ATOM 872 CA VAL A 55 3.463 0.350 0.825 1.00 13.22 C ATOM 873 C VAL A 55 2.645 -0.888 0.397 1.00 11.24 C ATOM 874 O VAL A 55 3.211 -1.846 -0.129 1.00 73.14 O ATOM 875 CB VAL A 55 4.348 0.846 -0.390 1.00 10.01 C ATOM 876 CG1 VAL A 55 3.469 1.172 -1.613 1.00 41.35 C ATOM 877 CG2 VAL A 55 5.224 2.073 -0.028 1.00 73.11 C ATOM 0 H VAL A 55 4.579 -0.991 1.992 1.00 4.03 H new ATOM 0 HA VAL A 55 2.815 1.182 1.101 1.00 13.22 H new ATOM 0 HB VAL A 55 5.021 0.025 -0.637 1.00 10.01 H new ATOM 0 HG11 VAL A 55 4.100 1.511 -2.435 1.00 41.35 H new ATOM 0 HG12 VAL A 55 2.924 0.279 -1.918 1.00 41.35 H new ATOM 0 HG13 VAL A 55 2.760 1.958 -1.352 1.00 41.35 H new ATOM 0 HG21 VAL A 55 5.810 2.371 -0.897 1.00 73.11 H new ATOM 0 HG22 VAL A 55 4.583 2.900 0.278 1.00 73.11 H new ATOM 0 HG23 VAL A 55 5.895 1.812 0.790 1.00 73.11 H new ATOM 887 N VAL A 56 1.328 -0.873 0.658 1.00 55.30 N ATOM 888 CA VAL A 56 0.408 -1.970 0.294 1.00 20.13 C ATOM 889 C VAL A 56 -0.276 -1.686 -1.057 1.00 74.53 C ATOM 890 O VAL A 56 -1.098 -0.775 -1.165 1.00 32.25 O ATOM 891 CB VAL A 56 -0.677 -2.200 1.411 1.00 24.42 C ATOM 892 CG1 VAL A 56 -1.722 -3.276 1.009 1.00 54.51 C ATOM 893 CG2 VAL A 56 0.000 -2.577 2.740 1.00 21.35 C ATOM 0 H VAL A 56 0.866 -0.096 1.130 1.00 55.30 H new ATOM 0 HA VAL A 56 1.002 -2.879 0.202 1.00 20.13 H new ATOM 0 HB VAL A 56 -1.218 -1.262 1.535 1.00 24.42 H new ATOM 0 HG11 VAL A 56 -2.448 -3.397 1.813 1.00 54.51 H new ATOM 0 HG12 VAL A 56 -2.236 -2.962 0.100 1.00 54.51 H new ATOM 0 HG13 VAL A 56 -1.217 -4.225 0.831 1.00 54.51 H new ATOM 0 HG21 VAL A 56 -0.761 -2.733 3.504 1.00 21.35 H new ATOM 0 HG22 VAL A 56 0.576 -3.493 2.608 1.00 21.35 H new ATOM 0 HG23 VAL A 56 0.666 -1.772 3.050 1.00 21.35 H new ATOM 903 N PHE A 57 0.076 -2.483 -2.077 1.00 73.31 N ATOM 904 CA PHE A 57 -0.591 -2.476 -3.381 1.00 72.22 C ATOM 905 C PHE A 57 -1.844 -3.362 -3.306 1.00 12.21 C ATOM 906 O PHE A 57 -1.728 -4.582 -3.121 1.00 11.44 O ATOM 907 CB PHE A 57 0.374 -2.995 -4.485 1.00 53.30 C ATOM 908 CG PHE A 57 1.508 -2.030 -4.822 1.00 54.30 C ATOM 909 CD1 PHE A 57 2.681 -1.997 -4.068 1.00 62.25 C ATOM 910 CD2 PHE A 57 1.391 -1.142 -5.890 1.00 12.34 C ATOM 911 CE1 PHE A 57 3.694 -1.109 -4.376 1.00 61.32 C ATOM 912 CE2 PHE A 57 2.402 -0.258 -6.189 1.00 55.31 C ATOM 913 CZ PHE A 57 3.554 -0.242 -5.433 1.00 11.43 C ATOM 0 H PHE A 57 0.840 -3.156 -2.016 1.00 73.31 H new ATOM 0 HA PHE A 57 -0.881 -1.457 -3.636 1.00 72.22 H new ATOM 0 HB2 PHE A 57 0.802 -3.944 -4.162 1.00 53.30 H new ATOM 0 HB3 PHE A 57 -0.200 -3.195 -5.390 1.00 53.30 H new ATOM 0 HD1 PHE A 57 2.799 -2.673 -3.234 1.00 62.25 H new ATOM 0 HD2 PHE A 57 0.494 -1.148 -6.491 1.00 12.34 H new ATOM 0 HE1 PHE A 57 4.598 -1.096 -3.785 1.00 61.32 H new ATOM 0 HE2 PHE A 57 2.292 0.425 -7.018 1.00 55.31 H new ATOM 0 HZ PHE A 57 4.347 0.452 -5.671 1.00 11.43 H new ATOM 923 N VAL A 58 -3.033 -2.744 -3.427 1.00 22.51 N ATOM 924 CA VAL A 58 -4.310 -3.475 -3.466 1.00 51.22 C ATOM 925 C VAL A 58 -4.459 -4.075 -4.877 1.00 33.01 C ATOM 926 O VAL A 58 -5.044 -3.463 -5.772 1.00 2.34 O ATOM 927 CB VAL A 58 -5.534 -2.541 -3.109 1.00 70.44 C ATOM 928 CG1 VAL A 58 -6.876 -3.317 -3.109 1.00 22.10 C ATOM 929 CG2 VAL A 58 -5.307 -1.831 -1.757 1.00 15.20 C ATOM 0 H VAL A 58 -3.134 -1.732 -3.500 1.00 22.51 H new ATOM 0 HA VAL A 58 -4.306 -4.265 -2.715 1.00 51.22 H new ATOM 0 HB VAL A 58 -5.601 -1.783 -3.889 1.00 70.44 H new ATOM 0 HG11 VAL A 58 -7.690 -2.636 -2.859 1.00 22.10 H new ATOM 0 HG12 VAL A 58 -7.050 -3.743 -4.097 1.00 22.10 H new ATOM 0 HG13 VAL A 58 -6.833 -4.118 -2.371 1.00 22.10 H new ATOM 0 HG21 VAL A 58 -6.162 -1.194 -1.533 1.00 15.20 H new ATOM 0 HG22 VAL A 58 -5.193 -2.576 -0.969 1.00 15.20 H new ATOM 0 HG23 VAL A 58 -4.405 -1.221 -1.813 1.00 15.20 H new ATOM 939 N ASN A 59 -3.859 -5.254 -5.073 1.00 31.33 N ATOM 940 CA ASN A 59 -3.773 -5.913 -6.380 1.00 3.34 C ATOM 941 C ASN A 59 -4.698 -7.136 -6.399 1.00 50.24 C ATOM 942 O ASN A 59 -4.393 -8.152 -5.770 1.00 74.31 O ATOM 943 CB ASN A 59 -2.294 -6.315 -6.645 1.00 3.21 C ATOM 944 CG ASN A 59 -2.075 -6.912 -8.034 1.00 21.43 C ATOM 945 OD1 ASN A 59 -2.190 -8.123 -8.230 1.00 33.43 O ATOM 946 ND2 ASN A 59 -1.760 -6.070 -9.014 1.00 3.11 N ATOM 0 H ASN A 59 -3.415 -5.782 -4.322 1.00 31.33 H new ATOM 0 HA ASN A 59 -4.096 -5.236 -7.171 1.00 3.34 H new ATOM 0 HB2 ASN A 59 -1.659 -5.437 -6.529 1.00 3.21 H new ATOM 0 HB3 ASN A 59 -1.980 -7.037 -5.892 1.00 3.21 H new ATOM 0 HD21 ASN A 59 -1.606 -6.422 -9.959 1.00 3.11 H new ATOM 0 HD22 ASN A 59 -1.672 -5.072 -8.821 1.00 3.11 H new ATOM 953 N GLY A 60 -5.835 -7.019 -7.106 1.00 5.23 N ATOM 954 CA GLY A 60 -6.823 -8.097 -7.184 1.00 40.10 C ATOM 955 C GLY A 60 -7.620 -8.249 -5.894 1.00 74.43 C ATOM 956 O GLY A 60 -7.838 -9.366 -5.417 1.00 23.42 O ATOM 0 H GLY A 60 -6.089 -6.183 -7.632 1.00 5.23 H new ATOM 0 HA2 GLY A 60 -7.507 -7.900 -8.009 1.00 40.10 H new ATOM 0 HA3 GLY A 60 -6.316 -9.036 -7.407 1.00 40.10 H new ATOM 960 N ALA A 61 -8.037 -7.101 -5.330 1.00 5.33 N ATOM 961 CA ALA A 61 -8.856 -7.028 -4.102 1.00 61.14 C ATOM 962 C ALA A 61 -9.864 -5.868 -4.220 1.00 33.31 C ATOM 963 O ALA A 61 -9.650 -4.925 -4.996 1.00 25.25 O ATOM 964 CB ALA A 61 -7.958 -6.870 -2.861 1.00 15.12 C ATOM 0 H ALA A 61 -7.813 -6.185 -5.718 1.00 5.33 H new ATOM 0 HA ALA A 61 -9.413 -7.957 -3.985 1.00 61.14 H new ATOM 0 HB1 ALA A 61 -8.579 -6.818 -1.967 1.00 15.12 H new ATOM 0 HB2 ALA A 61 -7.286 -7.725 -2.787 1.00 15.12 H new ATOM 0 HB3 ALA A 61 -7.372 -5.955 -2.950 1.00 15.12 H new ATOM 970 N SER A 62 -10.948 -5.941 -3.437 1.00 61.22 N ATOM 971 CA SER A 62 -12.095 -5.017 -3.533 1.00 21.24 C ATOM 972 C SER A 62 -12.047 -3.943 -2.421 1.00 54.22 C ATOM 973 O SER A 62 -11.171 -3.971 -1.535 1.00 3.13 O ATOM 974 CB SER A 62 -13.402 -5.842 -3.445 1.00 42.43 C ATOM 975 OG SER A 62 -13.473 -6.813 -4.480 1.00 72.10 O ATOM 0 H SER A 62 -11.058 -6.649 -2.711 1.00 61.22 H new ATOM 0 HA SER A 62 -12.054 -4.490 -4.486 1.00 21.24 H new ATOM 0 HB2 SER A 62 -13.457 -6.337 -2.475 1.00 42.43 H new ATOM 0 HB3 SER A 62 -14.261 -5.174 -3.511 1.00 42.43 H new ATOM 0 HG SER A 62 -14.308 -7.319 -4.397 1.00 72.10 H new ATOM 981 N GLN A 63 -13.030 -3.009 -2.469 1.00 0.42 N ATOM 982 CA GLN A 63 -13.195 -1.936 -1.468 1.00 31.43 C ATOM 983 C GLN A 63 -13.545 -2.524 -0.087 1.00 70.25 C ATOM 984 O GLN A 63 -13.290 -1.889 0.930 1.00 64.15 O ATOM 985 CB GLN A 63 -14.285 -0.916 -1.920 1.00 3.14 C ATOM 986 CG GLN A 63 -14.426 0.344 -1.024 1.00 13.14 C ATOM 987 CD GLN A 63 -13.167 1.221 -0.983 1.00 52.23 C ATOM 988 OE1 GLN A 63 -12.403 1.290 -1.949 1.00 74.45 O ATOM 989 NE2 GLN A 63 -12.943 1.897 0.134 1.00 11.12 N ATOM 0 H GLN A 63 -13.732 -2.983 -3.209 1.00 0.42 H new ATOM 0 HA GLN A 63 -12.246 -1.407 -1.384 1.00 31.43 H new ATOM 0 HB2 GLN A 63 -14.060 -0.595 -2.937 1.00 3.14 H new ATOM 0 HB3 GLN A 63 -15.247 -1.428 -1.953 1.00 3.14 H new ATOM 0 HG2 GLN A 63 -15.262 0.943 -1.385 1.00 13.14 H new ATOM 0 HG3 GLN A 63 -14.672 0.031 -0.009 1.00 13.14 H new ATOM 0 HE21 GLN A 63 -13.593 1.820 0.916 1.00 11.12 H new ATOM 0 HE22 GLN A 63 -12.120 2.495 0.212 1.00 11.12 H new ATOM 998 N ASN A 64 -14.125 -3.749 -0.082 1.00 53.52 N ATOM 999 CA ASN A 64 -14.382 -4.536 1.150 1.00 54.41 C ATOM 1000 C ASN A 64 -13.094 -4.650 1.985 1.00 12.44 C ATOM 1001 O ASN A 64 -13.066 -4.305 3.165 1.00 62.32 O ATOM 1002 CB ASN A 64 -14.874 -5.970 0.794 1.00 54.23 C ATOM 1003 CG ASN A 64 -16.114 -6.000 -0.095 1.00 22.50 C ATOM 1004 OD1 ASN A 64 -16.926 -5.080 -0.095 1.00 24.30 O ATOM 1005 ND2 ASN A 64 -16.276 -7.077 -0.842 1.00 13.20 N ATOM 0 H ASN A 64 -14.429 -4.220 -0.934 1.00 53.52 H new ATOM 0 HA ASN A 64 -15.152 -4.020 1.723 1.00 54.41 H new ATOM 0 HB2 ASN A 64 -14.068 -6.505 0.293 1.00 54.23 H new ATOM 0 HB3 ASN A 64 -15.089 -6.509 1.717 1.00 54.23 H new ATOM 0 HD21 ASN A 64 -17.096 -7.162 -1.443 1.00 13.20 H new ATOM 0 HD22 ASN A 64 -15.581 -7.824 -0.818 1.00 13.20 H new ATOM 1012 N ASP A 65 -12.020 -5.051 1.286 1.00 5.13 N ATOM 1013 CA ASP A 65 -10.694 -5.327 1.872 1.00 14.12 C ATOM 1014 C ASP A 65 -10.000 -4.003 2.244 1.00 33.32 C ATOM 1015 O ASP A 65 -9.370 -3.891 3.301 1.00 13.43 O ATOM 1016 CB ASP A 65 -9.813 -6.120 0.863 1.00 3.43 C ATOM 1017 CG ASP A 65 -10.536 -7.325 0.228 1.00 74.12 C ATOM 1018 OD1 ASP A 65 -11.425 -7.110 -0.633 1.00 24.34 O ATOM 1019 OD2 ASP A 65 -10.236 -8.489 0.576 1.00 0.40 O ATOM 0 H ASP A 65 -12.048 -5.196 0.277 1.00 5.13 H new ATOM 0 HA ASP A 65 -10.826 -5.928 2.772 1.00 14.12 H new ATOM 0 HB2 ASP A 65 -9.484 -5.446 0.072 1.00 3.43 H new ATOM 0 HB3 ASP A 65 -8.917 -6.472 1.374 1.00 3.43 H new ATOM 1024 N VAL A 66 -10.142 -3.003 1.339 1.00 64.21 N ATOM 1025 CA VAL A 66 -9.596 -1.632 1.517 1.00 52.15 C ATOM 1026 C VAL A 66 -10.115 -0.989 2.823 1.00 41.31 C ATOM 1027 O VAL A 66 -9.358 -0.353 3.568 1.00 14.12 O ATOM 1028 CB VAL A 66 -9.974 -0.717 0.281 1.00 31.14 C ATOM 1029 CG1 VAL A 66 -9.637 0.777 0.519 1.00 73.42 C ATOM 1030 CG2 VAL A 66 -9.297 -1.233 -1.014 1.00 54.02 C ATOM 0 H VAL A 66 -10.642 -3.125 0.458 1.00 64.21 H new ATOM 0 HA VAL A 66 -8.511 -1.714 1.581 1.00 52.15 H new ATOM 0 HB VAL A 66 -11.056 -0.781 0.162 1.00 31.14 H new ATOM 0 HG11 VAL A 66 -9.917 1.358 -0.360 1.00 73.42 H new ATOM 0 HG12 VAL A 66 -10.189 1.141 1.385 1.00 73.42 H new ATOM 0 HG13 VAL A 66 -8.567 0.884 0.699 1.00 73.42 H new ATOM 0 HG21 VAL A 66 -9.571 -0.589 -1.849 1.00 54.02 H new ATOM 0 HG22 VAL A 66 -8.214 -1.222 -0.888 1.00 54.02 H new ATOM 0 HG23 VAL A 66 -9.629 -2.251 -1.217 1.00 54.02 H new ATOM 1040 N ASN A 67 -11.425 -1.162 3.074 1.00 54.24 N ATOM 1041 CA ASN A 67 -12.089 -0.671 4.296 1.00 13.35 C ATOM 1042 C ASN A 67 -11.510 -1.355 5.540 1.00 33.41 C ATOM 1043 O ASN A 67 -11.245 -0.685 6.529 1.00 54.14 O ATOM 1044 CB ASN A 67 -13.630 -0.863 4.220 1.00 22.21 C ATOM 1045 CG ASN A 67 -14.289 0.020 3.154 1.00 32.42 C ATOM 1046 OD1 ASN A 67 -13.807 1.111 2.845 1.00 73.20 O ATOM 1047 ND2 ASN A 67 -15.391 -0.448 2.582 1.00 53.31 N ATOM 0 H ASN A 67 -12.054 -1.647 2.434 1.00 54.24 H new ATOM 0 HA ASN A 67 -11.895 0.399 4.374 1.00 13.35 H new ATOM 0 HB2 ASN A 67 -13.851 -1.909 4.006 1.00 22.21 H new ATOM 0 HB3 ASN A 67 -14.068 -0.638 5.193 1.00 22.21 H new ATOM 0 HD21 ASN A 67 -15.865 0.100 1.864 1.00 53.31 H new ATOM 0 HD22 ASN A 67 -15.764 -1.355 2.861 1.00 53.31 H new ATOM 1054 N GLU A 68 -11.269 -2.675 5.451 1.00 10.12 N ATOM 1055 CA GLU A 68 -10.677 -3.467 6.553 1.00 33.33 C ATOM 1056 C GLU A 68 -9.255 -2.984 6.886 1.00 35.12 C ATOM 1057 O GLU A 68 -8.824 -3.077 8.030 1.00 63.34 O ATOM 1058 CB GLU A 68 -10.666 -4.969 6.188 1.00 31.41 C ATOM 1059 CG GLU A 68 -12.066 -5.544 5.929 1.00 45.35 C ATOM 1060 CD GLU A 68 -12.062 -7.019 5.528 1.00 73.44 C ATOM 1061 OE1 GLU A 68 -11.591 -7.857 6.330 1.00 64.15 O ATOM 1062 OE2 GLU A 68 -12.516 -7.353 4.410 1.00 14.10 O ATOM 0 H GLU A 68 -11.477 -3.225 4.617 1.00 10.12 H new ATOM 0 HA GLU A 68 -11.294 -3.324 7.440 1.00 33.33 H new ATOM 0 HB2 GLU A 68 -10.051 -5.115 5.300 1.00 31.41 H new ATOM 0 HB3 GLU A 68 -10.195 -5.528 6.997 1.00 31.41 H new ATOM 0 HG2 GLU A 68 -12.670 -5.423 6.828 1.00 45.35 H new ATOM 0 HG3 GLU A 68 -12.547 -4.964 5.141 1.00 45.35 H new ATOM 1069 N PHE A 69 -8.540 -2.466 5.866 1.00 43.33 N ATOM 1070 CA PHE A 69 -7.220 -1.854 6.053 1.00 31.43 C ATOM 1071 C PHE A 69 -7.345 -0.610 6.943 1.00 74.13 C ATOM 1072 O PHE A 69 -6.717 -0.524 7.993 1.00 72.23 O ATOM 1073 CB PHE A 69 -6.578 -1.491 4.683 1.00 15.00 C ATOM 1074 CG PHE A 69 -5.183 -0.881 4.794 1.00 61.51 C ATOM 1075 CD1 PHE A 69 -4.054 -1.693 4.915 1.00 15.13 C ATOM 1076 CD2 PHE A 69 -5.002 0.501 4.798 1.00 73.14 C ATOM 1077 CE1 PHE A 69 -2.797 -1.140 5.025 1.00 14.31 C ATOM 1078 CE2 PHE A 69 -3.749 1.046 4.904 1.00 14.11 C ATOM 1079 CZ PHE A 69 -2.650 0.231 5.023 1.00 44.15 C ATOM 0 H PHE A 69 -8.863 -2.463 4.899 1.00 43.33 H new ATOM 0 HA PHE A 69 -6.566 -2.574 6.545 1.00 31.43 H new ATOM 0 HB2 PHE A 69 -6.523 -2.390 4.070 1.00 15.00 H new ATOM 0 HB3 PHE A 69 -7.230 -0.790 4.162 1.00 15.00 H new ATOM 0 HD1 PHE A 69 -4.167 -2.767 4.922 1.00 15.13 H new ATOM 0 HD2 PHE A 69 -5.861 1.151 4.716 1.00 73.14 H new ATOM 0 HE1 PHE A 69 -1.930 -1.778 5.112 1.00 14.31 H new ATOM 0 HE2 PHE A 69 -3.626 2.119 4.894 1.00 14.11 H new ATOM 0 HZ PHE A 69 -1.666 0.666 5.115 1.00 44.15 H new ATOM 1089 N GLN A 70 -8.159 0.341 6.473 1.00 23.24 N ATOM 1090 CA GLN A 70 -8.384 1.637 7.138 1.00 2.44 C ATOM 1091 C GLN A 70 -8.879 1.469 8.595 1.00 32.22 C ATOM 1092 O GLN A 70 -8.373 2.138 9.497 1.00 23.41 O ATOM 1093 CB GLN A 70 -9.384 2.452 6.286 1.00 20.41 C ATOM 1094 CG GLN A 70 -8.897 2.684 4.840 1.00 21.54 C ATOM 1095 CD GLN A 70 -9.954 3.316 3.943 1.00 4.24 C ATOM 1096 OE1 GLN A 70 -10.032 4.539 3.816 1.00 73.23 O ATOM 1097 NE2 GLN A 70 -10.790 2.484 3.329 1.00 44.23 N ATOM 0 H GLN A 70 -8.689 0.235 5.608 1.00 23.24 H new ATOM 0 HA GLN A 70 -7.437 2.173 7.209 1.00 2.44 H new ATOM 0 HB2 GLN A 70 -10.341 1.931 6.262 1.00 20.41 H new ATOM 0 HB3 GLN A 70 -9.558 3.416 6.764 1.00 20.41 H new ATOM 0 HG2 GLN A 70 -8.016 3.325 4.859 1.00 21.54 H new ATOM 0 HG3 GLN A 70 -8.588 1.731 4.410 1.00 21.54 H new ATOM 0 HE21 GLN A 70 -10.694 1.477 3.459 1.00 44.23 H new ATOM 0 HE22 GLN A 70 -11.527 2.853 2.728 1.00 44.23 H new ATOM 1106 N ASN A 71 -9.841 0.541 8.789 1.00 72.42 N ATOM 1107 CA ASN A 71 -10.421 0.205 10.110 1.00 51.32 C ATOM 1108 C ASN A 71 -9.343 -0.319 11.082 1.00 22.14 C ATOM 1109 O ASN A 71 -9.103 0.292 12.137 1.00 32.15 O ATOM 1110 CB ASN A 71 -11.586 -0.834 9.967 1.00 44.54 C ATOM 1111 CG ASN A 71 -12.960 -0.204 9.687 1.00 24.34 C ATOM 1112 OD1 ASN A 71 -13.699 0.122 10.610 1.00 4.24 O ATOM 1113 ND2 ASN A 71 -13.318 -0.019 8.431 1.00 1.41 N ATOM 0 H ASN A 71 -10.242 -0.003 8.025 1.00 72.42 H new ATOM 0 HA ASN A 71 -10.832 1.124 10.528 1.00 51.32 H new ATOM 0 HB2 ASN A 71 -11.344 -1.525 9.160 1.00 44.54 H new ATOM 0 HB3 ASN A 71 -11.648 -1.422 10.883 1.00 44.54 H new ATOM 0 HD21 ASN A 71 -14.222 0.401 8.215 1.00 1.41 H new ATOM 0 HD22 ASN A 71 -12.691 -0.296 7.676 1.00 1.41 H new ATOM 1120 N GLU A 72 -8.686 -1.441 10.720 1.00 74.25 N ATOM 1121 CA GLU A 72 -7.718 -2.114 11.613 1.00 14.12 C ATOM 1122 C GLU A 72 -6.484 -1.247 11.894 1.00 1.40 C ATOM 1123 O GLU A 72 -5.919 -1.315 12.981 1.00 41.05 O ATOM 1124 CB GLU A 72 -7.297 -3.493 11.046 1.00 22.53 C ATOM 1125 CG GLU A 72 -8.466 -4.478 10.816 1.00 72.43 C ATOM 1126 CD GLU A 72 -9.362 -4.691 12.046 1.00 24.22 C ATOM 1127 OE1 GLU A 72 -8.873 -5.233 13.067 1.00 54.33 O ATOM 1128 OE2 GLU A 72 -10.551 -4.307 12.012 1.00 43.44 O ATOM 0 H GLU A 72 -8.808 -1.900 9.817 1.00 74.25 H new ATOM 0 HA GLU A 72 -8.228 -2.271 12.564 1.00 14.12 H new ATOM 0 HB2 GLU A 72 -6.777 -3.339 10.100 1.00 22.53 H new ATOM 0 HB3 GLU A 72 -6.583 -3.950 11.731 1.00 22.53 H new ATOM 0 HG2 GLU A 72 -9.079 -4.111 9.993 1.00 72.43 H new ATOM 0 HG3 GLU A 72 -8.059 -5.441 10.506 1.00 72.43 H new ATOM 1135 N ALA A 73 -6.065 -0.438 10.908 1.00 62.44 N ATOM 1136 CA ALA A 73 -4.953 0.503 11.080 1.00 2.12 C ATOM 1137 C ALA A 73 -5.282 1.565 12.153 1.00 24.11 C ATOM 1138 O ALA A 73 -4.585 1.651 13.167 1.00 64.35 O ATOM 1139 CB ALA A 73 -4.591 1.144 9.731 1.00 14.41 C ATOM 0 H ALA A 73 -6.485 -0.419 9.978 1.00 62.44 H new ATOM 0 HA ALA A 73 -4.081 -0.046 11.436 1.00 2.12 H new ATOM 0 HB1 ALA A 73 -3.764 1.841 9.869 1.00 14.41 H new ATOM 0 HB2 ALA A 73 -4.296 0.367 9.026 1.00 14.41 H new ATOM 0 HB3 ALA A 73 -5.456 1.680 9.339 1.00 14.41 H new ATOM 1145 N LYS A 74 -6.377 2.335 11.946 1.00 70.52 N ATOM 1146 CA LYS A 74 -6.747 3.458 12.841 1.00 31.41 C ATOM 1147 C LYS A 74 -7.053 3.001 14.290 1.00 41.22 C ATOM 1148 O LYS A 74 -6.775 3.750 15.231 1.00 30.24 O ATOM 1149 CB LYS A 74 -7.943 4.276 12.271 1.00 43.20 C ATOM 1150 CG LYS A 74 -9.285 3.516 12.204 1.00 52.12 C ATOM 1151 CD LYS A 74 -10.441 4.348 11.595 1.00 33.53 C ATOM 1152 CE LYS A 74 -10.805 5.586 12.438 1.00 31.01 C ATOM 1153 NZ LYS A 74 -12.004 6.290 11.906 1.00 41.21 N ATOM 0 H LYS A 74 -7.020 2.199 11.166 1.00 70.52 H new ATOM 0 HA LYS A 74 -5.870 4.103 12.884 1.00 31.41 H new ATOM 0 HB2 LYS A 74 -8.078 5.167 12.884 1.00 43.20 H new ATOM 0 HB3 LYS A 74 -7.685 4.615 11.268 1.00 43.20 H new ATOM 0 HG2 LYS A 74 -9.150 2.610 11.613 1.00 52.12 H new ATOM 0 HG3 LYS A 74 -9.565 3.202 13.209 1.00 52.12 H new ATOM 0 HD2 LYS A 74 -10.160 4.669 10.592 1.00 33.53 H new ATOM 0 HD3 LYS A 74 -11.322 3.714 11.492 1.00 33.53 H new ATOM 0 HE2 LYS A 74 -10.991 5.281 13.468 1.00 31.01 H new ATOM 0 HE3 LYS A 74 -9.959 6.273 12.456 1.00 31.01 H new ATOM 0 HZ1 LYS A 74 -12.214 7.116 12.502 1.00 41.21 H new ATOM 0 HZ2 LYS A 74 -11.819 6.604 10.932 1.00 41.21 H new ATOM 0 HZ3 LYS A 74 -12.818 5.643 11.912 1.00 41.21 H new ATOM 1167 N LYS A 75 -7.617 1.784 14.482 1.00 51.31 N ATOM 1168 CA LYS A 75 -7.970 1.294 15.841 1.00 35.30 C ATOM 1169 C LYS A 75 -6.719 0.818 16.618 1.00 72.22 C ATOM 1170 O LYS A 75 -6.694 0.870 17.855 1.00 2.40 O ATOM 1171 CB LYS A 75 -9.045 0.168 15.788 1.00 13.23 C ATOM 1172 CG LYS A 75 -8.577 -1.180 15.180 1.00 4.21 C ATOM 1173 CD LYS A 75 -9.704 -2.245 15.109 1.00 61.54 C ATOM 1174 CE LYS A 75 -10.912 -1.776 14.278 1.00 42.45 C ATOM 1175 NZ LYS A 75 -11.956 -2.823 14.159 1.00 61.42 N ATOM 0 H LYS A 75 -7.835 1.132 13.729 1.00 51.31 H new ATOM 0 HA LYS A 75 -8.399 2.140 16.379 1.00 35.30 H new ATOM 0 HB2 LYS A 75 -9.402 -0.016 16.801 1.00 13.23 H new ATOM 0 HB3 LYS A 75 -9.896 0.530 15.211 1.00 13.23 H new ATOM 0 HG2 LYS A 75 -8.190 -1.003 14.177 1.00 4.21 H new ATOM 0 HG3 LYS A 75 -7.753 -1.572 15.775 1.00 4.21 H new ATOM 0 HD2 LYS A 75 -9.305 -3.162 14.677 1.00 61.54 H new ATOM 0 HD3 LYS A 75 -10.035 -2.486 16.119 1.00 61.54 H new ATOM 0 HE2 LYS A 75 -11.343 -0.887 14.738 1.00 42.45 H new ATOM 0 HE3 LYS A 75 -10.575 -1.488 13.282 1.00 42.45 H new ATOM 0 HZ1 LYS A 75 -12.862 -2.382 13.902 1.00 61.42 H new ATOM 0 HZ2 LYS A 75 -11.682 -3.505 13.423 1.00 61.42 H new ATOM 0 HZ3 LYS A 75 -12.057 -3.318 15.068 1.00 61.42 H new ATOM 1189 N GLU A 76 -5.687 0.357 15.889 1.00 42.11 N ATOM 1190 CA GLU A 76 -4.448 -0.175 16.491 1.00 34.15 C ATOM 1191 C GLU A 76 -3.333 0.886 16.588 1.00 13.41 C ATOM 1192 O GLU A 76 -2.320 0.650 17.251 1.00 23.42 O ATOM 1193 CB GLU A 76 -3.957 -1.393 15.675 1.00 23.31 C ATOM 1194 CG GLU A 76 -4.940 -2.586 15.653 1.00 11.02 C ATOM 1195 CD GLU A 76 -5.252 -3.141 17.055 1.00 33.02 C ATOM 1196 OE1 GLU A 76 -4.361 -3.794 17.648 1.00 20.32 O ATOM 1197 OE2 GLU A 76 -6.368 -2.925 17.573 1.00 33.12 O ATOM 0 H GLU A 76 -5.687 0.342 14.869 1.00 42.11 H new ATOM 0 HA GLU A 76 -4.684 -0.479 17.511 1.00 34.15 H new ATOM 0 HB2 GLU A 76 -3.767 -1.075 14.650 1.00 23.31 H new ATOM 0 HB3 GLU A 76 -3.005 -1.730 16.085 1.00 23.31 H new ATOM 0 HG2 GLU A 76 -5.870 -2.273 15.178 1.00 11.02 H new ATOM 0 HG3 GLU A 76 -4.520 -3.383 15.039 1.00 11.02 H new ATOM 1204 N GLY A 77 -3.535 2.055 15.961 1.00 2.43 N ATOM 1205 CA GLY A 77 -2.502 3.102 15.909 1.00 74.53 C ATOM 1206 C GLY A 77 -1.407 2.828 14.879 1.00 12.52 C ATOM 1207 O GLY A 77 -0.209 2.874 15.188 1.00 15.21 O ATOM 0 H GLY A 77 -4.403 2.299 15.484 1.00 2.43 H new ATOM 0 HA2 GLY A 77 -2.975 4.057 15.679 1.00 74.53 H new ATOM 0 HA3 GLY A 77 -2.046 3.201 16.894 1.00 74.53 H new ATOM 1211 N VAL A 78 -1.833 2.506 13.659 1.00 13.41 N ATOM 1212 CA VAL A 78 -0.965 2.394 12.473 1.00 1.04 C ATOM 1213 C VAL A 78 -1.312 3.569 11.546 1.00 33.31 C ATOM 1214 O VAL A 78 -2.465 3.699 11.114 1.00 44.12 O ATOM 1215 CB VAL A 78 -1.176 1.016 11.733 1.00 15.34 C ATOM 1216 CG1 VAL A 78 -0.352 0.916 10.421 1.00 51.12 C ATOM 1217 CG2 VAL A 78 -0.860 -0.171 12.677 1.00 22.54 C ATOM 0 H VAL A 78 -2.813 2.310 13.456 1.00 13.41 H new ATOM 0 HA VAL A 78 0.083 2.430 12.769 1.00 1.04 H new ATOM 0 HB VAL A 78 -2.228 0.965 11.451 1.00 15.34 H new ATOM 0 HG11 VAL A 78 -0.533 -0.051 9.951 1.00 51.12 H new ATOM 0 HG12 VAL A 78 -0.653 1.712 9.741 1.00 51.12 H new ATOM 0 HG13 VAL A 78 0.709 1.016 10.649 1.00 51.12 H new ATOM 0 HG21 VAL A 78 -1.013 -1.110 12.145 1.00 22.54 H new ATOM 0 HG22 VAL A 78 0.176 -0.106 13.009 1.00 22.54 H new ATOM 0 HG23 VAL A 78 -1.521 -0.133 13.543 1.00 22.54 H new ATOM 1227 N SER A 79 -0.319 4.433 11.265 1.00 54.53 N ATOM 1228 CA SER A 79 -0.516 5.654 10.474 1.00 64.13 C ATOM 1229 C SER A 79 -0.617 5.292 8.981 1.00 64.32 C ATOM 1230 O SER A 79 0.384 4.972 8.351 1.00 22.52 O ATOM 1231 CB SER A 79 0.653 6.633 10.735 1.00 64.21 C ATOM 1232 OG SER A 79 0.787 6.929 12.117 1.00 0.25 O ATOM 0 H SER A 79 0.642 4.301 11.582 1.00 54.53 H new ATOM 0 HA SER A 79 -1.444 6.143 10.769 1.00 64.13 H new ATOM 0 HB2 SER A 79 1.581 6.200 10.363 1.00 64.21 H new ATOM 0 HB3 SER A 79 0.487 7.556 10.179 1.00 64.21 H new ATOM 0 HG SER A 79 1.535 7.548 12.248 1.00 0.25 H new ATOM 1238 N TYR A 80 -1.838 5.289 8.440 1.00 40.13 N ATOM 1239 CA TYR A 80 -2.103 4.869 7.050 1.00 63.15 C ATOM 1240 C TYR A 80 -2.431 6.092 6.171 1.00 62.22 C ATOM 1241 O TYR A 80 -3.118 7.018 6.620 1.00 54.11 O ATOM 1242 CB TYR A 80 -3.258 3.830 7.029 1.00 15.12 C ATOM 1243 CG TYR A 80 -4.636 4.366 7.468 1.00 24.24 C ATOM 1244 CD1 TYR A 80 -4.931 4.604 8.814 1.00 34.01 C ATOM 1245 CD2 TYR A 80 -5.638 4.640 6.534 1.00 25.11 C ATOM 1246 CE1 TYR A 80 -6.157 5.093 9.204 1.00 13.05 C ATOM 1247 CE2 TYR A 80 -6.869 5.131 6.923 1.00 52.45 C ATOM 1248 CZ TYR A 80 -7.125 5.355 8.259 1.00 71.51 C ATOM 1249 OH TYR A 80 -8.354 5.844 8.653 1.00 72.44 O ATOM 0 H TYR A 80 -2.674 5.576 8.948 1.00 40.13 H new ATOM 0 HA TYR A 80 -1.210 4.398 6.638 1.00 63.15 H new ATOM 0 HB2 TYR A 80 -3.347 3.431 6.019 1.00 15.12 H new ATOM 0 HB3 TYR A 80 -2.987 2.997 7.678 1.00 15.12 H new ATOM 0 HD1 TYR A 80 -4.181 4.400 9.564 1.00 34.01 H new ATOM 0 HD2 TYR A 80 -5.446 4.464 5.486 1.00 25.11 H new ATOM 0 HE1 TYR A 80 -6.360 5.271 10.250 1.00 13.05 H new ATOM 0 HE2 TYR A 80 -7.628 5.339 6.183 1.00 52.45 H new ATOM 0 HH TYR A 80 -8.921 5.976 7.865 1.00 72.44 H new ATOM 1259 N ASP A 81 -1.897 6.104 4.937 1.00 31.41 N ATOM 1260 CA ASP A 81 -2.190 7.129 3.922 1.00 41.11 C ATOM 1261 C ASP A 81 -2.925 6.465 2.755 1.00 75.12 C ATOM 1262 O ASP A 81 -2.345 5.637 2.056 1.00 73.11 O ATOM 1263 CB ASP A 81 -0.876 7.792 3.420 1.00 51.44 C ATOM 1264 CG ASP A 81 -1.123 8.916 2.393 1.00 64.54 C ATOM 1265 OD1 ASP A 81 -1.708 9.951 2.770 1.00 1.12 O ATOM 1266 OD2 ASP A 81 -0.736 8.791 1.218 1.00 44.05 O ATOM 0 H ASP A 81 -1.242 5.393 4.613 1.00 31.41 H new ATOM 0 HA ASP A 81 -2.814 7.908 4.360 1.00 41.11 H new ATOM 0 HB2 ASP A 81 -0.332 8.199 4.272 1.00 51.44 H new ATOM 0 HB3 ASP A 81 -0.240 7.030 2.970 1.00 51.44 H new ATOM 1271 N VAL A 82 -4.204 6.815 2.558 1.00 61.13 N ATOM 1272 CA VAL A 82 -5.025 6.240 1.482 1.00 14.33 C ATOM 1273 C VAL A 82 -4.826 7.063 0.198 1.00 41.23 C ATOM 1274 O VAL A 82 -5.224 8.228 0.110 1.00 45.43 O ATOM 1275 CB VAL A 82 -6.543 6.172 1.883 1.00 25.44 C ATOM 1276 CG1 VAL A 82 -7.420 5.656 0.717 1.00 1.22 C ATOM 1277 CG2 VAL A 82 -6.726 5.286 3.136 1.00 14.13 C ATOM 0 H VAL A 82 -4.695 7.498 3.134 1.00 61.13 H new ATOM 0 HA VAL A 82 -4.702 5.214 1.305 1.00 14.33 H new ATOM 0 HB VAL A 82 -6.872 7.185 2.115 1.00 25.44 H new ATOM 0 HG11 VAL A 82 -8.463 5.623 1.033 1.00 1.22 H new ATOM 0 HG12 VAL A 82 -7.321 6.326 -0.137 1.00 1.22 H new ATOM 0 HG13 VAL A 82 -7.095 4.655 0.433 1.00 1.22 H new ATOM 0 HG21 VAL A 82 -7.782 5.247 3.403 1.00 14.13 H new ATOM 0 HG22 VAL A 82 -6.368 4.278 2.925 1.00 14.13 H new ATOM 0 HG23 VAL A 82 -6.157 5.707 3.965 1.00 14.13 H new ATOM 1287 N LEU A 83 -4.146 6.434 -0.758 1.00 61.32 N ATOM 1288 CA LEU A 83 -3.852 6.989 -2.085 1.00 33.31 C ATOM 1289 C LEU A 83 -4.628 6.184 -3.137 1.00 0.24 C ATOM 1290 O LEU A 83 -4.693 4.962 -3.053 1.00 63.31 O ATOM 1291 CB LEU A 83 -2.329 6.888 -2.351 1.00 63.14 C ATOM 1292 CG LEU A 83 -1.827 7.343 -3.764 1.00 60.00 C ATOM 1293 CD1 LEU A 83 -1.997 8.863 -3.985 1.00 51.23 C ATOM 1294 CD2 LEU A 83 -0.374 6.887 -3.998 1.00 44.42 C ATOM 0 H LEU A 83 -3.771 5.494 -0.630 1.00 61.32 H new ATOM 0 HA LEU A 83 -4.152 8.036 -2.136 1.00 33.31 H new ATOM 0 HB2 LEU A 83 -1.812 7.484 -1.599 1.00 63.14 H new ATOM 0 HB3 LEU A 83 -2.026 5.852 -2.200 1.00 63.14 H new ATOM 0 HG LEU A 83 -2.456 6.855 -4.509 1.00 60.00 H new ATOM 0 HD11 LEU A 83 -1.635 9.129 -4.978 1.00 51.23 H new ATOM 0 HD12 LEU A 83 -3.051 9.127 -3.900 1.00 51.23 H new ATOM 0 HD13 LEU A 83 -1.425 9.406 -3.233 1.00 51.23 H new ATOM 0 HD21 LEU A 83 -0.045 7.213 -4.985 1.00 44.42 H new ATOM 0 HD22 LEU A 83 0.272 7.325 -3.237 1.00 44.42 H new ATOM 0 HD23 LEU A 83 -0.320 5.800 -3.938 1.00 44.42 H new ATOM 1306 N LYS A 84 -5.239 6.879 -4.104 1.00 3.23 N ATOM 1307 CA LYS A 84 -5.874 6.252 -5.282 1.00 31.31 C ATOM 1308 C LYS A 84 -5.648 7.137 -6.516 1.00 71.45 C ATOM 1309 O LYS A 84 -6.059 8.301 -6.541 1.00 22.54 O ATOM 1310 CB LYS A 84 -7.393 5.961 -5.035 1.00 12.30 C ATOM 1311 CG LYS A 84 -8.103 6.990 -4.148 1.00 62.32 C ATOM 1312 CD LYS A 84 -9.606 6.703 -3.963 1.00 74.44 C ATOM 1313 CE LYS A 84 -10.306 7.765 -3.097 1.00 12.43 C ATOM 1314 NZ LYS A 84 -10.266 9.119 -3.718 1.00 24.13 N ATOM 0 H LYS A 84 -5.310 7.896 -4.096 1.00 3.23 H new ATOM 0 HA LYS A 84 -5.407 5.284 -5.461 1.00 31.31 H new ATOM 0 HB2 LYS A 84 -7.902 5.917 -5.998 1.00 12.30 H new ATOM 0 HB3 LYS A 84 -7.491 4.977 -4.577 1.00 12.30 H new ATOM 0 HG2 LYS A 84 -7.621 7.010 -3.170 1.00 62.32 H new ATOM 0 HG3 LYS A 84 -7.981 7.981 -4.584 1.00 62.32 H new ATOM 0 HD2 LYS A 84 -10.087 6.660 -4.940 1.00 74.44 H new ATOM 0 HD3 LYS A 84 -9.732 5.723 -3.503 1.00 74.44 H new ATOM 0 HE2 LYS A 84 -11.344 7.472 -2.936 1.00 12.43 H new ATOM 0 HE3 LYS A 84 -9.830 7.803 -2.117 1.00 12.43 H new ATOM 0 HZ1 LYS A 84 -10.863 9.770 -3.169 1.00 24.13 H new ATOM 0 HZ2 LYS A 84 -9.287 9.469 -3.725 1.00 24.13 H new ATOM 0 HZ3 LYS A 84 -10.621 9.064 -4.694 1.00 24.13 H new ATOM 1328 N SER A 85 -4.969 6.561 -7.521 1.00 24.33 N ATOM 1329 CA SER A 85 -4.595 7.252 -8.773 1.00 42.13 C ATOM 1330 C SER A 85 -4.398 6.211 -9.883 1.00 31.22 C ATOM 1331 O SER A 85 -3.937 5.102 -9.621 1.00 12.44 O ATOM 1332 CB SER A 85 -3.285 8.081 -8.599 1.00 32.13 C ATOM 1333 OG SER A 85 -3.374 9.016 -7.541 1.00 24.25 O ATOM 0 H SER A 85 -4.659 5.590 -7.490 1.00 24.33 H new ATOM 0 HA SER A 85 -5.397 7.941 -9.037 1.00 42.13 H new ATOM 0 HB2 SER A 85 -2.452 7.403 -8.412 1.00 32.13 H new ATOM 0 HB3 SER A 85 -3.066 8.608 -9.528 1.00 32.13 H new ATOM 0 HG SER A 85 -2.531 9.510 -7.469 1.00 24.25 H new ATOM 1339 N THR A 86 -4.751 6.578 -11.118 1.00 51.24 N ATOM 1340 CA THR A 86 -4.471 5.774 -12.312 1.00 61.21 C ATOM 1341 C THR A 86 -3.369 6.487 -13.117 1.00 21.30 C ATOM 1342 O THR A 86 -3.668 7.302 -14.002 1.00 51.22 O ATOM 1343 CB THR A 86 -5.772 5.573 -13.178 1.00 62.41 C ATOM 1344 OG1 THR A 86 -6.457 6.827 -13.328 1.00 75.41 O ATOM 1345 CG2 THR A 86 -6.735 4.538 -12.569 1.00 21.11 C ATOM 0 H THR A 86 -5.243 7.448 -11.319 1.00 51.24 H new ATOM 0 HA THR A 86 -4.132 4.779 -12.021 1.00 61.21 H new ATOM 0 HB THR A 86 -5.452 5.194 -14.149 1.00 62.41 H new ATOM 0 HG1 THR A 86 -5.824 7.512 -13.629 1.00 75.41 H new ATOM 0 HG21 THR A 86 -7.614 4.439 -13.206 1.00 21.11 H new ATOM 0 HG22 THR A 86 -6.232 3.574 -12.493 1.00 21.11 H new ATOM 0 HG23 THR A 86 -7.042 4.867 -11.576 1.00 21.11 H new ATOM 1353 N ASP A 87 -2.095 6.216 -12.760 1.00 1.31 N ATOM 1354 CA ASP A 87 -0.928 6.890 -13.362 1.00 41.12 C ATOM 1355 C ASP A 87 0.365 6.193 -12.877 1.00 51.43 C ATOM 1356 O ASP A 87 0.716 6.320 -11.697 1.00 11.14 O ATOM 1357 CB ASP A 87 -0.896 8.397 -12.999 1.00 32.14 C ATOM 1358 CG ASP A 87 0.170 9.153 -13.800 1.00 23.54 C ATOM 1359 OD1 ASP A 87 -0.098 9.514 -14.962 1.00 52.05 O ATOM 1360 OD2 ASP A 87 1.277 9.368 -13.290 1.00 44.34 O ATOM 0 H ASP A 87 -1.849 5.527 -12.049 1.00 1.31 H new ATOM 0 HA ASP A 87 -1.003 6.816 -14.447 1.00 41.12 H new ATOM 0 HB2 ASP A 87 -1.875 8.838 -13.190 1.00 32.14 H new ATOM 0 HB3 ASP A 87 -0.698 8.510 -11.933 1.00 32.14 H new ATOM 1365 N PRO A 88 1.097 5.459 -13.770 1.00 75.44 N ATOM 1366 CA PRO A 88 2.222 4.597 -13.349 1.00 63.14 C ATOM 1367 C PRO A 88 3.485 5.369 -12.901 1.00 5.35 C ATOM 1368 O PRO A 88 4.294 4.818 -12.150 1.00 55.12 O ATOM 1369 CB PRO A 88 2.483 3.722 -14.598 1.00 34.01 C ATOM 1370 CG PRO A 88 2.035 4.565 -15.759 1.00 53.42 C ATOM 1371 CD PRO A 88 0.883 5.411 -15.246 1.00 22.01 C ATOM 0 HA PRO A 88 1.972 4.023 -12.457 1.00 63.14 H new ATOM 0 HB2 PRO A 88 3.537 3.460 -14.684 1.00 34.01 H new ATOM 0 HB3 PRO A 88 1.925 2.787 -14.550 1.00 34.01 H new ATOM 0 HG2 PRO A 88 2.849 5.193 -16.121 1.00 53.42 H new ATOM 0 HG3 PRO A 88 1.718 3.941 -16.594 1.00 53.42 H new ATOM 0 HD2 PRO A 88 0.896 6.409 -15.683 1.00 22.01 H new ATOM 0 HD3 PRO A 88 -0.080 4.966 -15.495 1.00 22.01 H new ATOM 1379 N GLU A 89 3.653 6.640 -13.340 1.00 52.44 N ATOM 1380 CA GLU A 89 4.849 7.433 -12.970 1.00 52.35 C ATOM 1381 C GLU A 89 4.629 8.160 -11.630 1.00 43.10 C ATOM 1382 O GLU A 89 5.572 8.303 -10.838 1.00 31.53 O ATOM 1383 CB GLU A 89 5.294 8.419 -14.090 1.00 50.04 C ATOM 1384 CG GLU A 89 4.311 9.554 -14.430 1.00 41.30 C ATOM 1385 CD GLU A 89 4.830 10.486 -15.539 1.00 64.14 C ATOM 1386 OE1 GLU A 89 5.605 11.422 -15.237 1.00 32.33 O ATOM 1387 OE2 GLU A 89 4.496 10.269 -16.729 1.00 0.50 O ATOM 0 H GLU A 89 2.989 7.130 -13.939 1.00 52.44 H new ATOM 0 HA GLU A 89 5.671 6.728 -12.848 1.00 52.35 H new ATOM 0 HB2 GLU A 89 6.243 8.866 -13.795 1.00 50.04 H new ATOM 0 HB3 GLU A 89 5.480 7.844 -14.997 1.00 50.04 H new ATOM 0 HG2 GLU A 89 3.360 9.122 -14.741 1.00 41.30 H new ATOM 0 HG3 GLU A 89 4.116 10.140 -13.532 1.00 41.30 H new ATOM 1394 N GLU A 90 3.377 8.605 -11.357 1.00 20.31 N ATOM 1395 CA GLU A 90 3.061 9.281 -10.084 1.00 41.10 C ATOM 1396 C GLU A 90 3.019 8.268 -8.942 1.00 33.40 C ATOM 1397 O GLU A 90 3.594 8.514 -7.892 1.00 13.21 O ATOM 1398 CB GLU A 90 1.739 10.086 -10.088 1.00 73.15 C ATOM 1399 CG GLU A 90 1.573 10.930 -8.795 1.00 35.41 C ATOM 1400 CD GLU A 90 0.264 11.713 -8.697 1.00 30.42 C ATOM 1401 OE1 GLU A 90 0.026 12.585 -9.553 1.00 31.13 O ATOM 1402 OE2 GLU A 90 -0.505 11.504 -7.733 1.00 0.13 O ATOM 0 H GLU A 90 2.585 8.508 -11.993 1.00 20.31 H new ATOM 0 HA GLU A 90 3.864 10.004 -9.943 1.00 41.10 H new ATOM 0 HB2 GLU A 90 1.717 10.744 -10.957 1.00 73.15 H new ATOM 0 HB3 GLU A 90 0.897 9.401 -10.185 1.00 73.15 H new ATOM 0 HG2 GLU A 90 1.647 10.266 -7.934 1.00 35.41 H new ATOM 0 HG3 GLU A 90 2.404 11.632 -8.728 1.00 35.41 H new ATOM 1409 N LEU A 91 2.360 7.117 -9.163 1.00 13.04 N ATOM 1410 CA LEU A 91 2.247 6.074 -8.127 1.00 0.32 C ATOM 1411 C LEU A 91 3.658 5.609 -7.693 1.00 4.11 C ATOM 1412 O LEU A 91 3.890 5.387 -6.509 1.00 53.45 O ATOM 1413 CB LEU A 91 1.374 4.888 -8.604 1.00 53.11 C ATOM 1414 CG LEU A 91 -0.157 5.164 -8.742 1.00 70.43 C ATOM 1415 CD1 LEU A 91 -0.887 3.947 -9.348 1.00 42.42 C ATOM 1416 CD2 LEU A 91 -0.782 5.560 -7.388 1.00 61.45 C ATOM 0 H LEU A 91 1.900 6.886 -10.044 1.00 13.04 H new ATOM 0 HA LEU A 91 1.743 6.501 -7.260 1.00 0.32 H new ATOM 0 HB2 LEU A 91 1.750 4.555 -9.571 1.00 53.11 H new ATOM 0 HB3 LEU A 91 1.511 4.061 -7.907 1.00 53.11 H new ATOM 0 HG LEU A 91 -0.278 6.006 -9.423 1.00 70.43 H new ATOM 0 HD11 LEU A 91 -1.951 4.166 -9.433 1.00 42.42 H new ATOM 0 HD12 LEU A 91 -0.480 3.734 -10.337 1.00 42.42 H new ATOM 0 HD13 LEU A 91 -0.746 3.080 -8.703 1.00 42.42 H new ATOM 0 HD21 LEU A 91 -1.848 5.745 -7.520 1.00 61.45 H new ATOM 0 HD22 LEU A 91 -0.640 4.751 -6.671 1.00 61.45 H new ATOM 0 HD23 LEU A 91 -0.300 6.464 -7.015 1.00 61.45 H new ATOM 1428 N THR A 92 4.601 5.549 -8.663 1.00 60.32 N ATOM 1429 CA THR A 92 6.021 5.244 -8.398 1.00 34.11 C ATOM 1430 C THR A 92 6.680 6.323 -7.517 1.00 74.25 C ATOM 1431 O THR A 92 7.352 5.982 -6.528 1.00 3.25 O ATOM 1432 CB THR A 92 6.828 5.066 -9.729 1.00 35.24 C ATOM 1433 OG1 THR A 92 6.324 3.927 -10.454 1.00 12.53 O ATOM 1434 CG2 THR A 92 8.344 4.884 -9.485 1.00 4.24 C ATOM 0 H THR A 92 4.396 5.711 -9.649 1.00 60.32 H new ATOM 0 HA THR A 92 6.044 4.300 -7.854 1.00 34.11 H new ATOM 0 HB THR A 92 6.695 5.979 -10.309 1.00 35.24 H new ATOM 0 HG1 THR A 92 5.607 4.214 -11.057 1.00 12.53 H new ATOM 0 HG21 THR A 92 8.855 4.765 -10.441 1.00 4.24 H new ATOM 0 HG22 THR A 92 8.737 5.760 -8.970 1.00 4.24 H new ATOM 0 HG23 THR A 92 8.510 3.998 -8.872 1.00 4.24 H new ATOM 1442 N GLN A 93 6.471 7.630 -7.858 1.00 61.21 N ATOM 1443 CA GLN A 93 7.087 8.727 -7.090 1.00 41.33 C ATOM 1444 C GLN A 93 6.516 8.758 -5.661 1.00 4.13 C ATOM 1445 O GLN A 93 7.247 9.058 -4.737 1.00 22.30 O ATOM 1446 CB GLN A 93 6.967 10.135 -7.764 1.00 72.44 C ATOM 1447 CG GLN A 93 5.584 10.820 -7.699 1.00 13.44 C ATOM 1448 CD GLN A 93 5.627 12.320 -8.015 1.00 62.54 C ATOM 1449 OE1 GLN A 93 5.547 12.731 -9.170 1.00 53.21 O ATOM 1450 NE2 GLN A 93 5.732 13.148 -6.983 1.00 70.31 N ATOM 0 H GLN A 93 5.893 7.932 -8.642 1.00 61.21 H new ATOM 0 HA GLN A 93 8.155 8.511 -7.061 1.00 41.33 H new ATOM 0 HB2 GLN A 93 7.697 10.798 -7.300 1.00 72.44 H new ATOM 0 HB3 GLN A 93 7.248 10.035 -8.812 1.00 72.44 H new ATOM 0 HG2 GLN A 93 4.911 10.328 -8.401 1.00 13.44 H new ATOM 0 HG3 GLN A 93 5.164 10.679 -6.703 1.00 13.44 H new ATOM 0 HE21 GLN A 93 5.797 12.776 -6.035 1.00 70.31 H new ATOM 0 HE22 GLN A 93 5.748 14.156 -7.138 1.00 70.31 H new ATOM 1459 N ARG A 94 5.231 8.365 -5.498 1.00 50.04 N ATOM 1460 CA ARG A 94 4.541 8.360 -4.194 1.00 74.33 C ATOM 1461 C ARG A 94 5.122 7.278 -3.279 1.00 31.50 C ATOM 1462 O ARG A 94 5.367 7.542 -2.104 1.00 21.41 O ATOM 1463 CB ARG A 94 3.016 8.150 -4.363 1.00 22.45 C ATOM 1464 CG ARG A 94 2.297 9.267 -5.145 1.00 12.23 C ATOM 1465 CD ARG A 94 2.406 10.644 -4.474 1.00 54.33 C ATOM 1466 NE ARG A 94 1.824 11.694 -5.322 1.00 33.25 N ATOM 1467 CZ ARG A 94 2.315 12.931 -5.474 1.00 34.54 C ATOM 1468 NH1 ARG A 94 3.415 13.317 -4.831 1.00 64.41 N ATOM 1469 NH2 ARG A 94 1.693 13.777 -6.278 1.00 63.12 N ATOM 0 H ARG A 94 4.646 8.043 -6.269 1.00 50.04 H new ATOM 0 HA ARG A 94 4.701 9.335 -3.734 1.00 74.33 H new ATOM 0 HB2 ARG A 94 2.847 7.201 -4.873 1.00 22.45 H new ATOM 0 HB3 ARG A 94 2.562 8.066 -3.375 1.00 22.45 H new ATOM 0 HG2 ARG A 94 2.716 9.326 -6.149 1.00 12.23 H new ATOM 0 HG3 ARG A 94 1.244 9.006 -5.254 1.00 12.23 H new ATOM 0 HD2 ARG A 94 1.894 10.624 -3.512 1.00 54.33 H new ATOM 0 HD3 ARG A 94 3.453 10.873 -4.274 1.00 54.33 H new ATOM 0 HE ARG A 94 0.975 11.461 -5.838 1.00 33.25 H new ATOM 0 HH11 ARG A 94 3.898 12.667 -4.211 1.00 64.41 H new ATOM 0 HH12 ARG A 94 3.775 14.263 -4.959 1.00 64.41 H new ATOM 0 HH21 ARG A 94 0.850 13.484 -6.773 1.00 63.12 H new ATOM 0 HH22 ARG A 94 2.056 14.722 -6.403 1.00 63.12 H new ATOM 1483 N VAL A 95 5.339 6.069 -3.846 1.00 61.44 N ATOM 1484 CA VAL A 95 5.962 4.935 -3.133 1.00 24.33 C ATOM 1485 C VAL A 95 7.337 5.353 -2.591 1.00 23.20 C ATOM 1486 O VAL A 95 7.565 5.337 -1.384 1.00 44.22 O ATOM 1487 CB VAL A 95 6.094 3.673 -4.083 1.00 43.41 C ATOM 1488 CG1 VAL A 95 6.920 2.528 -3.441 1.00 22.32 C ATOM 1489 CG2 VAL A 95 4.699 3.155 -4.515 1.00 44.11 C ATOM 0 H VAL A 95 5.086 5.854 -4.811 1.00 61.44 H new ATOM 0 HA VAL A 95 5.323 4.655 -2.296 1.00 24.33 H new ATOM 0 HB VAL A 95 6.637 4.006 -4.967 1.00 43.41 H new ATOM 0 HG11 VAL A 95 6.979 1.689 -4.134 1.00 22.32 H new ATOM 0 HG12 VAL A 95 7.925 2.885 -3.218 1.00 22.32 H new ATOM 0 HG13 VAL A 95 6.437 2.204 -2.519 1.00 22.32 H new ATOM 0 HG21 VAL A 95 4.818 2.289 -5.166 1.00 44.11 H new ATOM 0 HG22 VAL A 95 4.128 2.869 -3.632 1.00 44.11 H new ATOM 0 HG23 VAL A 95 4.169 3.942 -5.051 1.00 44.11 H new ATOM 1499 N ARG A 96 8.201 5.824 -3.504 1.00 30.13 N ATOM 1500 CA ARG A 96 9.613 6.097 -3.203 1.00 4.11 C ATOM 1501 C ARG A 96 9.785 7.299 -2.249 1.00 34.54 C ATOM 1502 O ARG A 96 10.652 7.274 -1.365 1.00 73.14 O ATOM 1503 CB ARG A 96 10.407 6.286 -4.527 1.00 63.44 C ATOM 1504 CG ARG A 96 10.173 7.608 -5.319 1.00 2.03 C ATOM 1505 CD ARG A 96 11.254 8.688 -5.080 1.00 42.35 C ATOM 1506 NE ARG A 96 11.248 9.748 -6.103 1.00 53.20 N ATOM 1507 CZ ARG A 96 10.355 10.749 -6.208 1.00 14.11 C ATOM 1508 NH1 ARG A 96 9.340 10.882 -5.365 1.00 34.21 N ATOM 1509 NH2 ARG A 96 10.502 11.632 -7.172 1.00 12.55 N ATOM 0 H ARG A 96 7.940 6.026 -4.469 1.00 30.13 H new ATOM 0 HA ARG A 96 10.022 5.236 -2.674 1.00 4.11 H new ATOM 0 HB2 ARG A 96 11.470 6.215 -4.296 1.00 63.44 H new ATOM 0 HB3 ARG A 96 10.168 5.451 -5.186 1.00 63.44 H new ATOM 0 HG2 ARG A 96 10.133 7.379 -6.384 1.00 2.03 H new ATOM 0 HG3 ARG A 96 9.200 8.016 -5.044 1.00 2.03 H new ATOM 0 HD2 ARG A 96 11.100 9.137 -4.099 1.00 42.35 H new ATOM 0 HD3 ARG A 96 12.235 8.214 -5.063 1.00 42.35 H new ATOM 0 HE ARG A 96 11.993 9.720 -6.799 1.00 53.20 H new ATOM 0 HH11 ARG A 96 9.217 10.212 -4.606 1.00 34.21 H new ATOM 0 HH12 ARG A 96 8.683 11.654 -5.476 1.00 34.21 H new ATOM 0 HH21 ARG A 96 11.283 11.551 -7.823 1.00 12.55 H new ATOM 0 HH22 ARG A 96 9.835 12.398 -7.268 1.00 12.55 H new ATOM 1523 N GLU A 97 8.953 8.352 -2.432 1.00 42.15 N ATOM 1524 CA GLU A 97 9.048 9.575 -1.614 1.00 24.01 C ATOM 1525 C GLU A 97 8.536 9.288 -0.193 1.00 22.12 C ATOM 1526 O GLU A 97 9.062 9.831 0.781 1.00 73.35 O ATOM 1527 CB GLU A 97 8.288 10.784 -2.239 1.00 53.31 C ATOM 1528 CG GLU A 97 6.743 10.684 -2.209 1.00 54.33 C ATOM 1529 CD GLU A 97 6.020 11.778 -3.019 1.00 44.10 C ATOM 1530 OE1 GLU A 97 6.283 11.907 -4.232 1.00 11.44 O ATOM 1531 OE2 GLU A 97 5.153 12.487 -2.466 1.00 53.43 O ATOM 0 H GLU A 97 8.215 8.375 -3.135 1.00 42.15 H new ATOM 0 HA GLU A 97 10.099 9.861 -1.577 1.00 24.01 H new ATOM 0 HB2 GLU A 97 8.587 11.691 -1.713 1.00 53.31 H new ATOM 0 HB3 GLU A 97 8.608 10.896 -3.275 1.00 53.31 H new ATOM 0 HG2 GLU A 97 6.446 9.708 -2.593 1.00 54.33 H new ATOM 0 HG3 GLU A 97 6.408 10.734 -1.173 1.00 54.33 H new ATOM 1538 N PHE A 98 7.529 8.396 -0.095 1.00 55.14 N ATOM 1539 CA PHE A 98 6.962 7.965 1.188 1.00 4.00 C ATOM 1540 C PHE A 98 8.033 7.211 1.986 1.00 22.35 C ATOM 1541 O PHE A 98 8.229 7.463 3.161 1.00 13.42 O ATOM 1542 CB PHE A 98 5.718 7.068 0.946 1.00 71.33 C ATOM 1543 CG PHE A 98 4.963 6.650 2.207 1.00 45.41 C ATOM 1544 CD1 PHE A 98 3.982 7.482 2.758 1.00 4.22 C ATOM 1545 CD2 PHE A 98 5.234 5.435 2.847 1.00 44.21 C ATOM 1546 CE1 PHE A 98 3.297 7.109 3.895 1.00 0.22 C ATOM 1547 CE2 PHE A 98 4.547 5.069 3.980 1.00 11.24 C ATOM 1548 CZ PHE A 98 3.586 5.907 4.504 1.00 25.34 C ATOM 0 H PHE A 98 7.090 7.958 -0.905 1.00 55.14 H new ATOM 0 HA PHE A 98 6.644 8.836 1.761 1.00 4.00 H new ATOM 0 HB2 PHE A 98 5.029 7.599 0.289 1.00 71.33 H new ATOM 0 HB3 PHE A 98 6.035 6.169 0.417 1.00 71.33 H new ATOM 0 HD1 PHE A 98 3.759 8.428 2.287 1.00 4.22 H new ATOM 0 HD2 PHE A 98 5.991 4.778 2.446 1.00 44.21 H new ATOM 0 HE1 PHE A 98 2.537 7.756 4.307 1.00 0.22 H new ATOM 0 HE2 PHE A 98 4.760 4.125 4.460 1.00 11.24 H new ATOM 0 HZ PHE A 98 3.055 5.619 5.399 1.00 25.34 H new ATOM 1558 N LEU A 99 8.762 6.325 1.299 1.00 61.23 N ATOM 1559 CA LEU A 99 9.799 5.492 1.921 1.00 62.43 C ATOM 1560 C LEU A 99 11.011 6.332 2.386 1.00 3.51 C ATOM 1561 O LEU A 99 11.714 5.933 3.319 1.00 60.03 O ATOM 1562 CB LEU A 99 10.230 4.375 0.943 1.00 23.30 C ATOM 1563 CG LEU A 99 9.103 3.388 0.509 1.00 30.32 C ATOM 1564 CD1 LEU A 99 9.619 2.361 -0.524 1.00 43.24 C ATOM 1565 CD2 LEU A 99 8.450 2.709 1.734 1.00 10.05 C ATOM 0 H LEU A 99 8.651 6.165 0.298 1.00 61.23 H new ATOM 0 HA LEU A 99 9.377 5.033 2.815 1.00 62.43 H new ATOM 0 HB2 LEU A 99 10.645 4.840 0.049 1.00 23.30 H new ATOM 0 HB3 LEU A 99 11.033 3.801 1.406 1.00 23.30 H new ATOM 0 HG LEU A 99 8.324 3.967 0.014 1.00 30.32 H new ATOM 0 HD11 LEU A 99 8.808 1.689 -0.805 1.00 43.24 H new ATOM 0 HD12 LEU A 99 9.979 2.885 -1.409 1.00 43.24 H new ATOM 0 HD13 LEU A 99 10.434 1.784 -0.087 1.00 43.24 H new ATOM 0 HD21 LEU A 99 7.669 2.027 1.399 1.00 10.05 H new ATOM 0 HD22 LEU A 99 9.206 2.151 2.287 1.00 10.05 H new ATOM 0 HD23 LEU A 99 8.014 3.469 2.382 1.00 10.05 H new ATOM 1577 N LYS A 100 11.248 7.503 1.746 1.00 72.20 N ATOM 1578 CA LYS A 100 12.404 8.365 2.093 1.00 11.30 C ATOM 1579 C LYS A 100 12.049 9.368 3.217 1.00 22.02 C ATOM 1580 O LYS A 100 12.922 9.733 4.009 1.00 53.55 O ATOM 1581 CB LYS A 100 12.998 9.093 0.851 1.00 15.42 C ATOM 1582 CG LYS A 100 12.213 10.312 0.320 1.00 13.12 C ATOM 1583 CD LYS A 100 12.948 11.041 -0.837 1.00 61.11 C ATOM 1584 CE LYS A 100 13.188 10.151 -2.068 1.00 4.05 C ATOM 1585 NZ LYS A 100 14.053 10.820 -3.080 1.00 64.44 N ATOM 0 H LYS A 100 10.662 7.869 0.996 1.00 72.20 H new ATOM 0 HA LYS A 100 13.182 7.702 2.472 1.00 11.30 H new ATOM 0 HB2 LYS A 100 14.008 9.420 1.099 1.00 15.42 H new ATOM 0 HB3 LYS A 100 13.088 8.368 0.042 1.00 15.42 H new ATOM 0 HG2 LYS A 100 11.233 9.985 -0.027 1.00 13.12 H new ATOM 0 HG3 LYS A 100 12.044 11.014 1.137 1.00 13.12 H new ATOM 0 HD2 LYS A 100 12.364 11.912 -1.136 1.00 61.11 H new ATOM 0 HD3 LYS A 100 13.907 11.410 -0.473 1.00 61.11 H new ATOM 0 HE2 LYS A 100 13.653 9.216 -1.755 1.00 4.05 H new ATOM 0 HE3 LYS A 100 12.231 9.894 -2.522 1.00 4.05 H new ATOM 0 HZ1 LYS A 100 14.190 10.186 -3.893 1.00 64.44 H new ATOM 0 HZ2 LYS A 100 13.598 11.699 -3.399 1.00 64.44 H new ATOM 0 HZ3 LYS A 100 14.976 11.042 -2.655 1.00 64.44 H new ATOM 1599 N THR A 101 10.765 9.801 3.307 1.00 61.32 N ATOM 1600 CA THR A 101 10.339 10.841 4.281 1.00 3.23 C ATOM 1601 C THR A 101 9.769 10.206 5.567 1.00 24.33 C ATOM 1602 O THR A 101 10.042 10.662 6.679 1.00 10.11 O ATOM 1603 CB THR A 101 9.271 11.805 3.660 1.00 3.30 C ATOM 1604 OG1 THR A 101 8.145 11.048 3.174 1.00 30.41 O ATOM 1605 CG2 THR A 101 9.855 12.641 2.506 1.00 24.22 C ATOM 0 H THR A 101 10.009 9.448 2.720 1.00 61.32 H new ATOM 0 HA THR A 101 11.229 11.418 4.535 1.00 3.23 H new ATOM 0 HB THR A 101 8.952 12.487 4.448 1.00 3.30 H new ATOM 0 HG1 THR A 101 8.390 10.596 2.339 1.00 30.41 H new ATOM 0 HG21 THR A 101 9.082 13.296 2.104 1.00 24.22 H new ATOM 0 HG22 THR A 101 10.684 13.244 2.877 1.00 24.22 H new ATOM 0 HG23 THR A 101 10.213 11.976 1.720 1.00 24.22 H new ATOM 1613 N ALA A 102 8.982 9.135 5.387 1.00 54.03 N ATOM 1614 CA ALA A 102 8.301 8.419 6.484 1.00 5.41 C ATOM 1615 C ALA A 102 9.198 7.371 7.165 1.00 11.54 C ATOM 1616 O ALA A 102 8.692 6.518 7.909 1.00 72.30 O ATOM 1617 CB ALA A 102 7.037 7.744 5.927 1.00 44.41 C ATOM 0 H ALA A 102 8.796 8.735 4.467 1.00 54.03 H new ATOM 0 HA ALA A 102 8.045 9.152 7.249 1.00 5.41 H new ATOM 0 HB1 ALA A 102 6.525 7.212 6.729 1.00 44.41 H new ATOM 0 HB2 ALA A 102 6.372 8.502 5.513 1.00 44.41 H new ATOM 0 HB3 ALA A 102 7.316 7.039 5.144 1.00 44.41 H new ATOM 1623 N GLY A 103 10.515 7.450 6.927 1.00 71.33 N ATOM 1624 CA GLY A 103 11.467 6.478 7.450 1.00 54.20 C ATOM 1625 C GLY A 103 11.820 6.699 8.911 1.00 23.20 C ATOM 1626 O GLY A 103 10.953 6.979 9.742 1.00 54.15 O ATOM 0 H GLY A 103 10.942 8.189 6.368 1.00 71.33 H new ATOM 0 HA2 GLY A 103 11.053 5.477 7.332 1.00 54.20 H new ATOM 0 HA3 GLY A 103 12.379 6.518 6.854 1.00 54.20 H new ATOM 1630 N SER A 104 13.118 6.581 9.216 1.00 71.12 N ATOM 1631 CA SER A 104 13.652 6.740 10.577 1.00 64.02 C ATOM 1632 C SER A 104 14.095 8.206 10.816 1.00 15.30 C ATOM 1633 O SER A 104 14.898 8.488 11.720 1.00 71.21 O ATOM 1634 CB SER A 104 14.816 5.722 10.770 1.00 43.14 C ATOM 1635 OG SER A 104 15.220 5.615 12.125 1.00 3.51 O ATOM 0 H SER A 104 13.834 6.371 8.521 1.00 71.12 H new ATOM 0 HA SER A 104 12.883 6.528 11.320 1.00 64.02 H new ATOM 0 HB2 SER A 104 14.502 4.743 10.409 1.00 43.14 H new ATOM 0 HB3 SER A 104 15.668 6.028 10.163 1.00 43.14 H new ATOM 0 HG SER A 104 15.305 6.511 12.513 1.00 3.51 H new ATOM 1641 N LEU A 105 13.537 9.138 9.998 1.00 22.44 N ATOM 1642 CA LEU A 105 13.792 10.582 10.124 1.00 64.40 C ATOM 1643 C LEU A 105 13.208 11.093 11.451 1.00 11.42 C ATOM 1644 O LEU A 105 12.013 10.900 11.716 1.00 64.23 O ATOM 1645 CB LEU A 105 13.180 11.380 8.929 1.00 64.50 C ATOM 1646 CG LEU A 105 13.709 11.025 7.504 1.00 12.24 C ATOM 1647 CD1 LEU A 105 13.181 12.009 6.438 1.00 60.30 C ATOM 1648 CD2 LEU A 105 15.245 10.951 7.483 1.00 4.50 C ATOM 0 H LEU A 105 12.900 8.901 9.237 1.00 22.44 H new ATOM 0 HA LEU A 105 14.871 10.739 10.110 1.00 64.40 H new ATOM 0 HB2 LEU A 105 12.100 11.231 8.938 1.00 64.50 H new ATOM 0 HB3 LEU A 105 13.357 12.441 9.103 1.00 64.50 H new ATOM 0 HG LEU A 105 13.324 10.037 7.251 1.00 12.24 H new ATOM 0 HD11 LEU A 105 13.571 11.729 5.459 1.00 60.30 H new ATOM 0 HD12 LEU A 105 12.092 11.974 6.418 1.00 60.30 H new ATOM 0 HD13 LEU A 105 13.507 13.020 6.683 1.00 60.30 H new ATOM 0 HD21 LEU A 105 15.584 10.702 6.477 1.00 4.50 H new ATOM 0 HD22 LEU A 105 15.660 11.915 7.777 1.00 4.50 H new ATOM 0 HD23 LEU A 105 15.582 10.183 8.180 1.00 4.50 H new ATOM 1660 N GLU A 106 14.065 11.750 12.246 1.00 22.31 N ATOM 1661 CA GLU A 106 13.771 12.184 13.622 1.00 0.01 C ATOM 1662 C GLU A 106 12.549 13.123 13.642 1.00 54.42 C ATOM 1663 O GLU A 106 12.658 14.305 13.291 1.00 13.52 O ATOM 1664 CB GLU A 106 15.029 12.878 14.213 1.00 33.13 C ATOM 1665 CG GLU A 106 16.315 12.022 14.108 1.00 33.11 C ATOM 1666 CD GLU A 106 17.580 12.738 14.616 1.00 41.34 C ATOM 1667 OE1 GLU A 106 18.238 13.452 13.825 1.00 65.24 O ATOM 1668 OE2 GLU A 106 17.926 12.590 15.809 1.00 20.24 O ATOM 0 H GLU A 106 15.006 12.001 11.943 1.00 22.31 H new ATOM 0 HA GLU A 106 13.525 11.319 14.237 1.00 0.01 H new ATOM 0 HB2 GLU A 106 15.189 13.824 13.696 1.00 33.13 H new ATOM 0 HB3 GLU A 106 14.845 13.115 15.261 1.00 33.13 H new ATOM 0 HG2 GLU A 106 16.176 11.103 14.677 1.00 33.11 H new ATOM 0 HG3 GLU A 106 16.465 11.734 13.068 1.00 33.11 H new ATOM 1675 N HIS A 107 11.378 12.559 14.008 1.00 60.41 N ATOM 1676 CA HIS A 107 10.085 13.263 13.926 1.00 5.52 C ATOM 1677 C HIS A 107 9.945 14.337 15.025 1.00 22.35 C ATOM 1678 O HIS A 107 9.382 14.101 16.097 1.00 44.44 O ATOM 1679 CB HIS A 107 8.883 12.257 13.906 1.00 2.22 C ATOM 1680 CG HIS A 107 8.912 11.159 14.952 1.00 23.04 C ATOM 1681 ND1 HIS A 107 9.245 9.854 14.658 1.00 4.12 N ATOM 1682 CD2 HIS A 107 8.621 11.167 16.280 1.00 61.40 C ATOM 1683 CE1 HIS A 107 9.154 9.120 15.748 1.00 50.15 C ATOM 1684 NE2 HIS A 107 8.780 9.891 16.744 1.00 41.34 N ATOM 0 H HIS A 107 11.305 11.607 14.367 1.00 60.41 H new ATOM 0 HA HIS A 107 10.061 13.796 12.975 1.00 5.52 H new ATOM 0 HB2 HIS A 107 7.960 12.823 14.029 1.00 2.22 H new ATOM 0 HB3 HIS A 107 8.842 11.791 12.921 1.00 2.22 H new ATOM 0 HD2 HIS A 107 8.319 12.025 16.862 1.00 61.40 H new ATOM 0 HE1 HIS A 107 9.354 8.061 15.812 1.00 50.15 H new ATOM 0 HE2 HIS A 107 8.632 9.587 17.706 1.00 41.34 H new ATOM 1693 N HIS A 108 10.530 15.517 14.752 1.00 3.14 N ATOM 1694 CA HIS A 108 10.311 16.744 15.544 1.00 72.24 C ATOM 1695 C HIS A 108 8.838 17.182 15.396 1.00 53.32 C ATOM 1696 O HIS A 108 8.254 17.784 16.300 1.00 31.44 O ATOM 1697 CB HIS A 108 11.289 17.849 15.063 1.00 32.43 C ATOM 1698 CG HIS A 108 11.218 19.158 15.813 1.00 42.43 C ATOM 1699 ND1 HIS A 108 11.157 20.383 15.183 1.00 40.21 N ATOM 1700 CD2 HIS A 108 11.232 19.430 17.141 1.00 74.31 C ATOM 1701 CE1 HIS A 108 11.137 21.341 16.083 1.00 70.15 C ATOM 1702 NE2 HIS A 108 11.178 20.789 17.278 1.00 64.31 N ATOM 0 H HIS A 108 11.173 15.648 13.971 1.00 3.14 H new ATOM 0 HA HIS A 108 10.508 16.559 16.600 1.00 72.24 H new ATOM 0 HB2 HIS A 108 12.306 17.465 15.135 1.00 32.43 H new ATOM 0 HB3 HIS A 108 11.097 18.045 14.008 1.00 32.43 H new ATOM 0 HD2 HIS A 108 11.277 18.707 17.942 1.00 74.31 H new ATOM 0 HE1 HIS A 108 11.094 22.400 15.877 1.00 70.15 H new ATOM 0 HE2 HIS A 108 11.171 21.295 18.164 1.00 64.31 H new ATOM 1711 N HIS A 109 8.269 16.843 14.234 1.00 45.41 N ATOM 1712 CA HIS A 109 6.839 16.961 13.932 1.00 72.32 C ATOM 1713 C HIS A 109 6.344 15.568 13.498 1.00 2.22 C ATOM 1714 O HIS A 109 6.874 15.011 12.528 1.00 44.45 O ATOM 1715 CB HIS A 109 6.645 18.002 12.798 1.00 33.05 C ATOM 1716 CG HIS A 109 5.216 18.334 12.429 1.00 10.25 C ATOM 1717 ND1 HIS A 109 4.609 19.518 12.792 1.00 71.11 N ATOM 1718 CD2 HIS A 109 4.297 17.664 11.689 1.00 75.15 C ATOM 1719 CE1 HIS A 109 3.391 19.559 12.296 1.00 43.44 C ATOM 1720 NE2 HIS A 109 3.181 18.449 11.623 1.00 12.22 N ATOM 0 H HIS A 109 8.808 16.467 13.454 1.00 45.41 H new ATOM 0 HA HIS A 109 6.271 17.298 14.799 1.00 72.32 H new ATOM 0 HB2 HIS A 109 7.146 18.925 13.092 1.00 33.05 H new ATOM 0 HB3 HIS A 109 7.152 17.634 11.906 1.00 33.05 H new ATOM 0 HD2 HIS A 109 4.424 16.692 11.237 1.00 75.15 H new ATOM 0 HE1 HIS A 109 2.684 20.366 12.420 1.00 43.44 H new ATOM 0 HE2 HIS A 109 2.320 18.212 11.129 1.00 12.22 H new ATOM 1729 N HIS A 110 5.364 14.994 14.223 1.00 44.11 N ATOM 1730 CA HIS A 110 4.768 13.694 13.856 1.00 64.23 C ATOM 1731 C HIS A 110 3.849 13.848 12.620 1.00 34.42 C ATOM 1732 O HIS A 110 2.656 14.118 12.736 1.00 71.45 O ATOM 1733 CB HIS A 110 4.033 13.015 15.062 1.00 40.42 C ATOM 1734 CG HIS A 110 3.056 13.880 15.831 1.00 24.22 C ATOM 1735 ND1 HIS A 110 3.420 14.618 16.937 1.00 22.50 N ATOM 1736 CD2 HIS A 110 1.726 14.102 15.666 1.00 32.15 C ATOM 1737 CE1 HIS A 110 2.363 15.245 17.413 1.00 32.34 C ATOM 1738 NE2 HIS A 110 1.327 14.952 16.658 1.00 40.24 N ATOM 0 H HIS A 110 4.968 15.410 15.066 1.00 44.11 H new ATOM 0 HA HIS A 110 5.581 13.020 13.585 1.00 64.23 H new ATOM 0 HB2 HIS A 110 3.496 12.144 14.687 1.00 40.42 H new ATOM 0 HB3 HIS A 110 4.787 12.649 15.759 1.00 40.42 H new ATOM 0 HD2 HIS A 110 1.099 13.683 14.893 1.00 32.15 H new ATOM 0 HE1 HIS A 110 2.350 15.891 18.278 1.00 32.34 H new ATOM 0 HE2 HIS A 110 0.379 15.303 16.792 1.00 40.24 H new ATOM 1747 N HIS A 111 4.455 13.748 11.428 1.00 12.33 N ATOM 1748 CA HIS A 111 3.727 13.763 10.147 1.00 15.22 C ATOM 1749 C HIS A 111 3.388 12.323 9.743 1.00 43.20 C ATOM 1750 O HIS A 111 4.190 11.421 9.973 1.00 24.33 O ATOM 1751 CB HIS A 111 4.579 14.455 9.046 1.00 45.42 C ATOM 1752 CG HIS A 111 3.898 14.543 7.699 1.00 4.20 C ATOM 1753 ND1 HIS A 111 4.129 13.652 6.674 1.00 63.51 N ATOM 1754 CD2 HIS A 111 2.956 15.397 7.234 1.00 41.42 C ATOM 1755 CE1 HIS A 111 3.367 13.960 5.647 1.00 32.52 C ATOM 1756 NE2 HIS A 111 2.643 15.013 5.960 1.00 34.30 N ATOM 0 H HIS A 111 5.465 13.654 11.323 1.00 12.33 H new ATOM 0 HA HIS A 111 2.803 14.330 10.262 1.00 15.22 H new ATOM 0 HB2 HIS A 111 4.834 15.461 9.378 1.00 45.42 H new ATOM 0 HB3 HIS A 111 5.516 13.910 8.932 1.00 45.42 H new ATOM 0 HD2 HIS A 111 2.529 16.231 7.772 1.00 41.42 H new ATOM 0 HE1 HIS A 111 3.340 13.435 4.703 1.00 32.52 H new ATOM 0 HE2 HIS A 111 1.961 15.468 5.353 1.00 34.30 H new ATOM 1765 N HIS A 112 2.198 12.120 9.156 1.00 71.42 N ATOM 1766 CA HIS A 112 1.784 10.827 8.577 1.00 52.33 C ATOM 1767 C HIS A 112 1.460 11.010 7.073 1.00 22.40 C ATOM 1768 O HIS A 112 1.939 10.213 6.247 1.00 3.34 O ATOM 1769 CB HIS A 112 0.589 10.213 9.358 1.00 33.23 C ATOM 1770 CG HIS A 112 -0.676 11.027 9.368 1.00 73.22 C ATOM 1771 ND1 HIS A 112 -1.544 11.068 8.302 1.00 71.51 N ATOM 1772 CD2 HIS A 112 -1.211 11.834 10.311 1.00 52.12 C ATOM 1773 CE1 HIS A 112 -2.553 11.861 8.587 1.00 4.34 C ATOM 1774 NE2 HIS A 112 -2.375 12.338 9.799 1.00 35.34 N ATOM 1775 OXT HIS A 112 0.794 12.005 6.725 1.00 37.12 O ATOM 0 H HIS A 112 1.491 12.850 9.068 1.00 71.42 H new ATOM 0 HA HIS A 112 2.608 10.119 8.667 1.00 52.33 H new ATOM 0 HB2 HIS A 112 0.366 9.235 8.932 1.00 33.23 H new ATOM 0 HB3 HIS A 112 0.900 10.048 10.389 1.00 33.23 H new ATOM 0 HD2 HIS A 112 -0.797 12.042 11.286 1.00 52.12 H new ATOM 0 HE1 HIS A 112 -3.386 12.083 7.936 1.00 4.34 H new ATOM 0 HE2 HIS A 112 -3.004 12.981 10.280 1.00 35.34 H new TER 1784 HIS A 112