USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 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 74 TYR OH : rot 130:sc= 0.892 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -134:sc= 2.74 (180deg=0.177) USER MOD Set 2.1: A 66 SER OG : rot -101:sc= 0.19 USER MOD Set 2.2: A 96 TYR OH : rot 180:sc= 0.163 USER MOD Set 3.1: A 64 TYR OH : rot -152:sc= 1.03 USER MOD Set 3.2: A 82 ASN : amide:sc= -0.505 K(o=0.53,f=-2.3) USER MOD Set 4.1: A 45 TYR OH : rot 23:sc= 0.606 USER MOD Set 4.2: A 69 LYS NZ :NH3+ 173:sc= 0.737 (180deg=0.654) USER MOD Set 5.1: A 37 ASN : amide:sc= -0.225 K(o=-0.19,f=-4.5!) USER MOD Set 5.2: A 90 THR OG1 : rot 151:sc= 0.0396 USER MOD Set 6.1: A 36 THR OG1 : rot 97:sc= 0.844 USER MOD Set 6.2: A 38 ASN : amide:sc= 0.737 K(o=1.6,f=-1.3) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.11) USER MOD Single : A 56 SER OG : rot -130:sc= -0.354 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -33:sc= 0.5 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 147:sc= 1.15 (180deg=0.318) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.12) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0297 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 55:sc= 0.632 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc=-0.00828 (180deg=-0.11) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0112 F(o=-0.65,f=-0.011) USER MOD Single : A 123 SER OG : rot 180:sc= -0.144 USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.048) USER MOD Single : A 132 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.0055) USER MOD Single : A 133 HIS :FLIP no HE2:sc= -0.13 F(o=-1.1,f=-0.13) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -19.080 6.566 -16.025 1.00 61.35 N ATOM 2 CA MET A 34 -19.582 7.974 -16.045 1.00 51.00 C ATOM 3 C MET A 34 -20.279 8.340 -14.720 1.00 74.34 C ATOM 4 O MET A 34 -19.794 9.179 -13.960 1.00 30.24 O ATOM 5 CB MET A 34 -20.546 8.176 -17.230 1.00 70.30 C ATOM 6 CG MET A 34 -21.231 9.538 -17.249 1.00 73.41 C ATOM 7 SD MET A 34 -20.055 10.907 -17.216 1.00 31.44 S ATOM 8 CE MET A 34 -21.177 12.304 -17.143 1.00 4.13 C ATOM 0 HA MET A 34 -18.725 8.636 -16.165 1.00 51.00 H new ATOM 0 HB2 MET A 34 -19.993 8.046 -18.160 1.00 70.30 H new ATOM 0 HB3 MET A 34 -21.309 7.398 -17.201 1.00 70.30 H new ATOM 0 HG2 MET A 34 -21.850 9.617 -18.143 1.00 73.41 H new ATOM 0 HG3 MET A 34 -21.899 9.617 -16.391 1.00 73.41 H new ATOM 0 HE1 MET A 34 -20.603 13.230 -17.117 1.00 4.13 H new ATOM 0 HE2 MET A 34 -21.820 12.300 -18.023 1.00 4.13 H new ATOM 0 HE3 MET A 34 -21.790 12.232 -16.245 1.00 4.13 H new ATOM 20 N ASP A 35 -21.421 7.710 -14.454 1.00 2.32 N ATOM 21 CA ASP A 35 -22.165 7.929 -13.208 1.00 34.50 C ATOM 22 C ASP A 35 -21.810 6.871 -12.146 1.00 24.22 C ATOM 23 O ASP A 35 -21.960 7.111 -10.947 1.00 70.23 O ATOM 24 CB ASP A 35 -23.670 7.913 -13.510 1.00 72.03 C ATOM 25 CG ASP A 35 -24.524 8.074 -12.265 1.00 70.22 C ATOM 26 OD1 ASP A 35 -24.659 9.211 -11.773 1.00 61.13 O ATOM 27 OD2 ASP A 35 -25.066 7.061 -11.778 1.00 63.33 O ATOM 0 H ASP A 35 -21.856 7.039 -15.087 1.00 2.32 H new ATOM 0 HA ASP A 35 -21.886 8.900 -12.799 1.00 34.50 H new ATOM 0 HB2 ASP A 35 -23.903 8.715 -14.211 1.00 72.03 H new ATOM 0 HB3 ASP A 35 -23.927 6.975 -14.002 1.00 72.03 H new ATOM 32 N THR A 36 -21.325 5.711 -12.595 1.00 42.41 N ATOM 33 CA THR A 36 -20.958 4.607 -11.687 1.00 3.33 C ATOM 34 C THR A 36 -19.969 5.053 -10.596 1.00 44.42 C ATOM 35 O THR A 36 -19.014 5.789 -10.864 1.00 10.33 O ATOM 36 CB THR A 36 -20.346 3.414 -12.462 1.00 65.52 C ATOM 37 OG1 THR A 36 -19.237 3.851 -13.265 1.00 13.13 O ATOM 38 CG2 THR A 36 -21.391 2.750 -13.356 1.00 45.32 C ATOM 0 H THR A 36 -21.175 5.506 -13.583 1.00 42.41 H new ATOM 0 HA THR A 36 -21.886 4.292 -11.209 1.00 3.33 H new ATOM 0 HB THR A 36 -19.996 2.686 -11.730 1.00 65.52 H new ATOM 0 HG1 THR A 36 -18.399 3.678 -12.787 1.00 13.13 H new ATOM 0 HG21 THR A 36 -20.936 1.915 -13.889 1.00 45.32 H new ATOM 0 HG22 THR A 36 -22.214 2.383 -12.743 1.00 45.32 H new ATOM 0 HG23 THR A 36 -21.770 3.477 -14.075 1.00 45.32 H new ATOM 46 N ASN A 37 -20.207 4.600 -9.365 1.00 1.33 N ATOM 47 CA ASN A 37 -19.402 5.010 -8.204 1.00 52.42 C ATOM 48 C ASN A 37 -17.948 4.515 -8.295 1.00 65.23 C ATOM 49 O ASN A 37 -17.017 5.237 -7.926 1.00 11.41 O ATOM 50 CB ASN A 37 -20.048 4.488 -6.919 1.00 62.44 C ATOM 51 CG ASN A 37 -19.355 5.010 -5.676 1.00 21.42 C ATOM 52 OD1 ASN A 37 -18.380 4.435 -5.205 1.00 11.11 O ATOM 53 ND2 ASN A 37 -19.856 6.097 -5.131 1.00 32.43 N ATOM 0 H ASN A 37 -20.955 3.944 -9.141 1.00 1.33 H new ATOM 0 HA ASN A 37 -19.374 6.100 -8.194 1.00 52.42 H new ATOM 0 HB2 ASN A 37 -21.098 4.781 -6.897 1.00 62.44 H new ATOM 0 HB3 ASN A 37 -20.021 3.398 -6.917 1.00 62.44 H new ATOM 0 HD21 ASN A 37 -19.432 6.487 -4.289 1.00 32.43 H new ATOM 0 HD22 ASN A 37 -20.668 6.550 -5.550 1.00 32.43 H new ATOM 60 N ASN A 38 -17.769 3.287 -8.781 1.00 34.13 N ATOM 61 CA ASN A 38 -16.442 2.668 -8.898 1.00 62.53 C ATOM 62 C ASN A 38 -15.794 2.430 -7.523 1.00 21.51 C ATOM 63 O ASN A 38 -14.781 3.048 -7.180 1.00 40.24 O ATOM 64 CB ASN A 38 -15.515 3.521 -9.779 1.00 72.24 C ATOM 65 CG ASN A 38 -15.870 3.449 -11.253 1.00 2.53 C ATOM 66 OD1 ASN A 38 -17.003 3.158 -11.622 1.00 51.44 O ATOM 67 ND2 ASN A 38 -14.910 3.739 -12.109 1.00 21.41 N ATOM 0 H ASN A 38 -18.533 2.693 -9.104 1.00 34.13 H new ATOM 0 HA ASN A 38 -16.585 1.697 -9.371 1.00 62.53 H new ATOM 0 HB2 ASN A 38 -15.563 4.559 -9.449 1.00 72.24 H new ATOM 0 HB3 ASN A 38 -14.486 3.190 -9.642 1.00 72.24 H new ATOM 0 HD21 ASN A 38 -15.099 3.725 -13.111 1.00 21.41 H new ATOM 0 HD22 ASN A 38 -13.978 3.977 -11.769 1.00 21.41 H new ATOM 74 N PHE A 39 -16.399 1.549 -6.730 1.00 54.02 N ATOM 75 CA PHE A 39 -15.811 1.122 -5.456 1.00 73.44 C ATOM 76 C PHE A 39 -14.506 0.339 -5.683 1.00 40.02 C ATOM 77 O PHE A 39 -14.517 -0.883 -5.831 1.00 71.13 O ATOM 78 CB PHE A 39 -16.801 0.257 -4.664 1.00 52.44 C ATOM 79 CG PHE A 39 -18.058 0.982 -4.252 1.00 4.34 C ATOM 80 CD1 PHE A 39 -19.161 1.028 -5.093 1.00 11.31 C ATOM 81 CD2 PHE A 39 -18.137 1.610 -3.016 1.00 62.15 C ATOM 82 CE1 PHE A 39 -20.315 1.684 -4.709 1.00 10.51 C ATOM 83 CE2 PHE A 39 -19.287 2.269 -2.630 1.00 35.44 C ATOM 84 CZ PHE A 39 -20.376 2.305 -3.476 1.00 22.14 C ATOM 0 H PHE A 39 -17.297 1.115 -6.944 1.00 54.02 H new ATOM 0 HA PHE A 39 -15.584 2.020 -4.881 1.00 73.44 H new ATOM 0 HB2 PHE A 39 -17.075 -0.608 -5.267 1.00 52.44 H new ATOM 0 HB3 PHE A 39 -16.303 -0.121 -3.771 1.00 52.44 H new ATOM 0 HD1 PHE A 39 -19.117 0.546 -6.058 1.00 11.31 H new ATOM 0 HD2 PHE A 39 -17.288 1.583 -2.349 1.00 62.15 H new ATOM 0 HE1 PHE A 39 -21.168 1.711 -5.371 1.00 10.51 H new ATOM 0 HE2 PHE A 39 -19.334 2.756 -1.667 1.00 35.44 H new ATOM 0 HZ PHE A 39 -21.277 2.819 -3.175 1.00 22.14 H new ATOM 94 N THR A 40 -13.389 1.058 -5.744 1.00 42.11 N ATOM 95 CA THR A 40 -12.072 0.435 -5.950 1.00 52.20 C ATOM 96 C THR A 40 -11.074 0.854 -4.868 1.00 35.30 C ATOM 97 O THR A 40 -11.106 1.987 -4.382 1.00 54.00 O ATOM 98 CB THR A 40 -11.465 0.803 -7.325 1.00 63.43 C ATOM 99 OG1 THR A 40 -11.227 2.221 -7.403 1.00 64.22 O ATOM 100 CG2 THR A 40 -12.382 0.373 -8.468 1.00 11.21 C ATOM 0 H THR A 40 -13.363 2.074 -5.654 1.00 42.11 H new ATOM 0 HA THR A 40 -12.244 -0.640 -5.902 1.00 52.20 H new ATOM 0 HB THR A 40 -10.519 0.271 -7.423 1.00 63.43 H new ATOM 0 HG1 THR A 40 -10.841 2.440 -8.277 1.00 64.22 H new ATOM 0 HG21 THR A 40 -11.928 0.645 -9.421 1.00 11.21 H new ATOM 0 HG22 THR A 40 -12.528 -0.707 -8.431 1.00 11.21 H new ATOM 0 HG23 THR A 40 -13.346 0.873 -8.369 1.00 11.21 H new ATOM 108 N VAL A 41 -10.179 -0.057 -4.511 1.00 25.30 N ATOM 109 CA VAL A 41 -9.129 0.225 -3.530 1.00 75.35 C ATOM 110 C VAL A 41 -7.758 0.352 -4.206 1.00 1.31 C ATOM 111 O VAL A 41 -7.239 -0.617 -4.757 1.00 73.41 O ATOM 112 CB VAL A 41 -9.061 -0.886 -2.457 1.00 42.02 C ATOM 113 CG1 VAL A 41 -7.907 -0.640 -1.485 1.00 3.44 C ATOM 114 CG2 VAL A 41 -10.394 -0.993 -1.716 1.00 43.23 C ATOM 0 H VAL A 41 -10.156 -1.005 -4.887 1.00 25.30 H new ATOM 0 HA VAL A 41 -9.381 1.172 -3.054 1.00 75.35 H new ATOM 0 HB VAL A 41 -8.872 -1.836 -2.957 1.00 42.02 H new ATOM 0 HG11 VAL A 41 -7.882 -1.436 -0.741 1.00 3.44 H new ATOM 0 HG12 VAL A 41 -6.965 -0.627 -2.034 1.00 3.44 H new ATOM 0 HG13 VAL A 41 -8.050 0.319 -0.986 1.00 3.44 H new ATOM 0 HG21 VAL A 41 -10.330 -1.779 -0.964 1.00 43.23 H new ATOM 0 HG22 VAL A 41 -10.617 -0.043 -1.230 1.00 43.23 H new ATOM 0 HG23 VAL A 41 -11.186 -1.233 -2.425 1.00 43.23 H new ATOM 124 N LYS A 42 -7.169 1.543 -4.162 1.00 41.25 N ATOM 125 CA LYS A 42 -5.846 1.762 -4.753 1.00 51.31 C ATOM 126 C LYS A 42 -4.741 1.543 -3.717 1.00 54.53 C ATOM 127 O LYS A 42 -4.781 2.113 -2.629 1.00 33.55 O ATOM 128 CB LYS A 42 -5.719 3.181 -5.314 1.00 32.03 C ATOM 129 CG LYS A 42 -4.438 3.391 -6.125 1.00 51.55 C ATOM 130 CD LYS A 42 -3.798 4.748 -5.853 1.00 22.32 C ATOM 131 CE LYS A 42 -2.706 5.064 -6.870 1.00 34.14 C ATOM 132 NZ LYS A 42 -2.269 6.483 -6.800 1.00 24.13 N ATOM 0 H LYS A 42 -7.581 2.369 -3.727 1.00 41.25 H new ATOM 0 HA LYS A 42 -5.735 1.042 -5.564 1.00 51.31 H new ATOM 0 HB2 LYS A 42 -6.581 3.395 -5.945 1.00 32.03 H new ATOM 0 HB3 LYS A 42 -5.742 3.895 -4.491 1.00 32.03 H new ATOM 0 HG2 LYS A 42 -3.726 2.601 -5.886 1.00 51.55 H new ATOM 0 HG3 LYS A 42 -4.665 3.305 -7.188 1.00 51.55 H new ATOM 0 HD2 LYS A 42 -4.562 5.525 -5.884 1.00 22.32 H new ATOM 0 HD3 LYS A 42 -3.375 4.757 -4.848 1.00 22.32 H new ATOM 0 HE2 LYS A 42 -1.850 4.413 -6.696 1.00 34.14 H new ATOM 0 HE3 LYS A 42 -3.072 4.847 -7.873 1.00 34.14 H new ATOM 0 HZ1 LYS A 42 -1.628 6.688 -7.593 1.00 24.13 H new ATOM 0 HZ2 LYS A 42 -3.100 7.105 -6.857 1.00 24.13 H new ATOM 0 HZ3 LYS A 42 -1.773 6.649 -5.901 1.00 24.13 H new ATOM 146 N VAL A 43 -3.749 0.734 -4.058 1.00 60.44 N ATOM 147 CA VAL A 43 -2.618 0.490 -3.163 1.00 61.13 C ATOM 148 C VAL A 43 -1.362 1.239 -3.639 1.00 74.10 C ATOM 149 O VAL A 43 -0.809 0.925 -4.692 1.00 32.35 O ATOM 150 CB VAL A 43 -2.297 -1.022 -3.054 1.00 70.12 C ATOM 151 CG1 VAL A 43 -1.260 -1.275 -1.959 1.00 64.44 C ATOM 152 CG2 VAL A 43 -3.569 -1.832 -2.798 1.00 3.03 C ATOM 0 H VAL A 43 -3.700 0.234 -4.946 1.00 60.44 H new ATOM 0 HA VAL A 43 -2.908 0.862 -2.180 1.00 61.13 H new ATOM 0 HB VAL A 43 -1.876 -1.350 -4.004 1.00 70.12 H new ATOM 0 HG11 VAL A 43 -1.048 -2.342 -1.898 1.00 64.44 H new ATOM 0 HG12 VAL A 43 -0.343 -0.736 -2.195 1.00 64.44 H new ATOM 0 HG13 VAL A 43 -1.649 -0.927 -1.002 1.00 64.44 H new ATOM 0 HG21 VAL A 43 -3.318 -2.890 -2.725 1.00 3.03 H new ATOM 0 HG22 VAL A 43 -4.028 -1.503 -1.866 1.00 3.03 H new ATOM 0 HG23 VAL A 43 -4.268 -1.681 -3.620 1.00 3.03 H new ATOM 162 N GLU A 44 -0.921 2.226 -2.857 1.00 64.01 N ATOM 163 CA GLU A 44 0.306 2.983 -3.159 1.00 62.53 C ATOM 164 C GLU A 44 1.487 2.523 -2.292 1.00 61.11 C ATOM 165 O GLU A 44 1.309 2.023 -1.178 1.00 43.40 O ATOM 166 CB GLU A 44 0.080 4.483 -2.922 1.00 32.04 C ATOM 167 CG GLU A 44 -1.144 5.040 -3.625 1.00 71.33 C ATOM 168 CD GLU A 44 -1.322 6.529 -3.391 1.00 11.40 C ATOM 169 OE1 GLU A 44 -1.568 6.927 -2.237 1.00 34.42 O ATOM 170 OE2 GLU A 44 -1.220 7.306 -4.361 1.00 12.45 O ATOM 0 H GLU A 44 -1.395 2.525 -2.004 1.00 64.01 H new ATOM 0 HA GLU A 44 0.545 2.798 -4.206 1.00 62.53 H new ATOM 0 HB2 GLU A 44 -0.016 4.661 -1.851 1.00 32.04 H new ATOM 0 HB3 GLU A 44 0.960 5.031 -3.258 1.00 32.04 H new ATOM 0 HG2 GLU A 44 -1.062 4.851 -4.695 1.00 71.33 H new ATOM 0 HG3 GLU A 44 -2.031 4.512 -3.276 1.00 71.33 H new ATOM 177 N TYR A 45 2.699 2.718 -2.807 1.00 72.33 N ATOM 178 CA TYR A 45 3.922 2.286 -2.121 1.00 23.12 C ATOM 179 C TYR A 45 4.921 3.446 -2.055 1.00 64.55 C ATOM 180 O TYR A 45 5.551 3.789 -3.054 1.00 60.14 O ATOM 181 CB TYR A 45 4.538 1.088 -2.858 1.00 44.20 C ATOM 182 CG TYR A 45 3.561 -0.053 -3.080 1.00 51.14 C ATOM 183 CD1 TYR A 45 2.702 -0.048 -4.175 1.00 34.31 C ATOM 184 CD2 TYR A 45 3.487 -1.123 -2.195 1.00 3.41 C ATOM 185 CE1 TYR A 45 1.804 -1.073 -4.384 1.00 5.32 C ATOM 186 CE2 TYR A 45 2.588 -2.157 -2.398 1.00 73.15 C ATOM 187 CZ TYR A 45 1.747 -2.124 -3.493 1.00 31.12 C ATOM 188 OH TYR A 45 0.854 -3.151 -3.705 1.00 24.01 O ATOM 0 H TYR A 45 2.864 3.176 -3.704 1.00 72.33 H new ATOM 0 HA TYR A 45 3.675 1.981 -1.104 1.00 23.12 H new ATOM 0 HB2 TYR A 45 4.920 1.422 -3.823 1.00 44.20 H new ATOM 0 HB3 TYR A 45 5.391 0.720 -2.288 1.00 44.20 H new ATOM 0 HD1 TYR A 45 2.740 0.774 -4.874 1.00 34.31 H new ATOM 0 HD2 TYR A 45 4.141 -1.148 -1.336 1.00 3.41 H new ATOM 0 HE1 TYR A 45 1.148 -1.053 -5.242 1.00 5.32 H new ATOM 0 HE2 TYR A 45 2.545 -2.984 -1.704 1.00 73.15 H new ATOM 0 HH TYR A 45 0.613 -3.184 -4.654 1.00 24.01 H new ATOM 198 N VAL A 46 5.059 4.050 -0.878 1.00 34.24 N ATOM 199 CA VAL A 46 5.827 5.292 -0.737 1.00 43.05 C ATOM 200 C VAL A 46 7.002 5.164 0.248 1.00 51.13 C ATOM 201 O VAL A 46 6.963 4.372 1.190 1.00 64.53 O ATOM 202 CB VAL A 46 4.903 6.457 -0.285 1.00 31.31 C ATOM 203 CG1 VAL A 46 3.803 6.720 -1.318 1.00 55.42 C ATOM 204 CG2 VAL A 46 4.294 6.167 1.087 1.00 51.21 C ATOM 0 H VAL A 46 4.652 3.704 -0.009 1.00 34.24 H new ATOM 0 HA VAL A 46 6.245 5.504 -1.721 1.00 43.05 H new ATOM 0 HB VAL A 46 5.514 7.356 -0.206 1.00 31.31 H new ATOM 0 HG11 VAL A 46 3.171 7.540 -0.976 1.00 55.42 H new ATOM 0 HG12 VAL A 46 4.257 6.985 -2.273 1.00 55.42 H new ATOM 0 HG13 VAL A 46 3.197 5.822 -1.441 1.00 55.42 H new ATOM 0 HG21 VAL A 46 3.651 6.996 1.382 1.00 51.21 H new ATOM 0 HG22 VAL A 46 3.705 5.251 1.037 1.00 51.21 H new ATOM 0 HG23 VAL A 46 5.091 6.047 1.821 1.00 51.21 H new ATOM 214 N ASP A 47 8.051 5.952 0.003 1.00 44.14 N ATOM 215 CA ASP A 47 9.202 6.044 0.909 1.00 31.04 C ATOM 216 C ASP A 47 8.807 6.777 2.205 1.00 62.45 C ATOM 217 O ASP A 47 7.757 7.424 2.272 1.00 22.14 O ATOM 218 CB ASP A 47 10.354 6.771 0.188 1.00 61.53 C ATOM 219 CG ASP A 47 11.589 6.987 1.053 1.00 33.01 C ATOM 220 OD1 ASP A 47 11.641 8.001 1.777 1.00 61.12 O ATOM 221 OD2 ASP A 47 12.524 6.165 0.998 1.00 54.41 O ATOM 0 H ASP A 47 8.128 6.543 -0.825 1.00 44.14 H new ATOM 0 HA ASP A 47 9.534 5.043 1.185 1.00 31.04 H new ATOM 0 HB2 ASP A 47 10.637 6.196 -0.694 1.00 61.53 H new ATOM 0 HB3 ASP A 47 9.996 7.739 -0.163 1.00 61.53 H new ATOM 226 N ALA A 48 9.654 6.684 3.224 1.00 74.33 N ATOM 227 CA ALA A 48 9.392 7.318 4.523 1.00 45.25 C ATOM 228 C ALA A 48 9.392 8.858 4.451 1.00 24.34 C ATOM 229 O ALA A 48 9.192 9.535 5.463 1.00 65.14 O ATOM 230 CB ALA A 48 10.408 6.830 5.546 1.00 44.42 C ATOM 0 H ALA A 48 10.536 6.173 3.180 1.00 74.33 H new ATOM 0 HA ALA A 48 8.388 7.025 4.830 1.00 45.25 H new ATOM 0 HB1 ALA A 48 10.211 7.302 6.508 1.00 44.42 H new ATOM 0 HB2 ALA A 48 10.329 5.748 5.650 1.00 44.42 H new ATOM 0 HB3 ALA A 48 11.413 7.090 5.213 1.00 44.42 H new ATOM 236 N ASP A 49 9.632 9.404 3.263 1.00 24.45 N ATOM 237 CA ASP A 49 9.534 10.846 3.029 1.00 41.34 C ATOM 238 C ASP A 49 8.097 11.235 2.638 1.00 52.43 C ATOM 239 O ASP A 49 7.676 12.382 2.809 1.00 44.30 O ATOM 240 CB ASP A 49 10.513 11.257 1.924 1.00 2.23 C ATOM 241 CG ASP A 49 10.510 12.755 1.683 1.00 22.22 C ATOM 242 OD1 ASP A 49 11.085 13.496 2.509 1.00 33.43 O ATOM 243 OD2 ASP A 49 9.929 13.201 0.674 1.00 75.54 O ATOM 0 H ASP A 49 9.898 8.866 2.438 1.00 24.45 H new ATOM 0 HA ASP A 49 9.791 11.370 3.950 1.00 41.34 H new ATOM 0 HB2 ASP A 49 11.519 10.936 2.195 1.00 2.23 H new ATOM 0 HB3 ASP A 49 10.252 10.742 1.000 1.00 2.23 H new ATOM 248 N GLY A 50 7.346 10.262 2.125 1.00 63.21 N ATOM 249 CA GLY A 50 5.979 10.509 1.677 1.00 50.24 C ATOM 250 C GLY A 50 5.827 10.492 0.158 1.00 1.44 C ATOM 251 O GLY A 50 4.725 10.672 -0.369 1.00 14.51 O ATOM 0 H GLY A 50 7.661 9.299 2.010 1.00 63.21 H new ATOM 0 HA2 GLY A 50 5.321 9.755 2.109 1.00 50.24 H new ATOM 0 HA3 GLY A 50 5.649 11.476 2.057 1.00 50.24 H new ATOM 255 N ALA A 51 6.935 10.276 -0.548 1.00 11.54 N ATOM 256 CA ALA A 51 6.926 10.186 -2.017 1.00 32.02 C ATOM 257 C ALA A 51 6.943 8.722 -2.472 1.00 32.24 C ATOM 258 O ALA A 51 7.731 7.922 -1.963 1.00 75.24 O ATOM 259 CB ALA A 51 8.122 10.931 -2.600 1.00 33.50 C ATOM 0 H ALA A 51 7.858 10.159 -0.129 1.00 11.54 H new ATOM 0 HA ALA A 51 6.009 10.649 -2.382 1.00 32.02 H new ATOM 0 HB1 ALA A 51 8.103 10.856 -3.687 1.00 33.50 H new ATOM 0 HB2 ALA A 51 8.075 11.980 -2.308 1.00 33.50 H new ATOM 0 HB3 ALA A 51 9.045 10.490 -2.222 1.00 33.50 H new ATOM 265 N GLU A 52 6.081 8.361 -3.427 1.00 24.11 N ATOM 266 CA GLU A 52 5.983 6.963 -3.853 1.00 10.52 C ATOM 267 C GLU A 52 7.227 6.519 -4.621 1.00 73.32 C ATOM 268 O GLU A 52 7.881 7.304 -5.314 1.00 51.33 O ATOM 269 CB GLU A 52 4.710 6.695 -4.673 1.00 61.04 C ATOM 270 CG GLU A 52 4.713 7.358 -6.025 1.00 1.12 C ATOM 271 CD GLU A 52 3.490 7.023 -6.867 1.00 41.14 C ATOM 272 OE1 GLU A 52 2.356 7.277 -6.410 1.00 54.11 O ATOM 273 OE2 GLU A 52 3.660 6.514 -7.997 1.00 43.20 O ATOM 0 H GLU A 52 5.453 9.003 -3.911 1.00 24.11 H new ATOM 0 HA GLU A 52 5.918 6.366 -2.944 1.00 10.52 H new ATOM 0 HB2 GLU A 52 4.593 5.619 -4.805 1.00 61.04 H new ATOM 0 HB3 GLU A 52 3.845 7.043 -4.109 1.00 61.04 H new ATOM 0 HG2 GLU A 52 4.768 8.438 -5.891 1.00 1.12 H new ATOM 0 HG3 GLU A 52 5.610 7.058 -6.566 1.00 1.12 H new ATOM 280 N ILE A 53 7.544 5.246 -4.477 1.00 42.11 N ATOM 281 CA ILE A 53 8.776 4.667 -5.006 1.00 35.24 C ATOM 282 C ILE A 53 8.492 3.469 -5.918 1.00 52.44 C ATOM 283 O ILE A 53 9.417 2.812 -6.402 1.00 65.24 O ATOM 284 CB ILE A 53 9.665 4.194 -3.835 1.00 34.53 C ATOM 285 CG1 ILE A 53 8.850 3.251 -2.928 1.00 50.44 C ATOM 286 CG2 ILE A 53 10.199 5.396 -3.055 1.00 24.32 C ATOM 287 CD1 ILE A 53 9.585 2.763 -1.703 1.00 14.41 C ATOM 0 H ILE A 53 6.953 4.575 -3.987 1.00 42.11 H new ATOM 0 HA ILE A 53 9.280 5.437 -5.590 1.00 35.24 H new ATOM 0 HB ILE A 53 10.525 3.647 -4.222 1.00 34.53 H new ATOM 0 HG12 ILE A 53 7.945 3.768 -2.610 1.00 50.44 H new ATOM 0 HG13 ILE A 53 8.535 2.388 -3.514 1.00 50.44 H new ATOM 0 HG21 ILE A 53 10.824 5.048 -2.233 1.00 24.32 H new ATOM 0 HG22 ILE A 53 10.791 6.027 -3.719 1.00 24.32 H new ATOM 0 HG23 ILE A 53 9.363 5.972 -2.657 1.00 24.32 H new ATOM 0 HD11 ILE A 53 8.934 2.106 -1.126 1.00 14.41 H new ATOM 0 HD12 ILE A 53 10.476 2.214 -2.008 1.00 14.41 H new ATOM 0 HD13 ILE A 53 9.876 3.616 -1.090 1.00 14.41 H new ATOM 299 N ALA A 54 7.215 3.196 -6.166 1.00 1.43 N ATOM 300 CA ALA A 54 6.831 1.976 -6.883 1.00 13.52 C ATOM 301 C ALA A 54 5.447 2.097 -7.534 1.00 34.25 C ATOM 302 O ALA A 54 4.622 2.913 -7.108 1.00 63.52 O ATOM 303 CB ALA A 54 6.855 0.786 -5.924 1.00 61.32 C ATOM 0 H ALA A 54 6.435 3.791 -5.887 1.00 1.43 H new ATOM 0 HA ALA A 54 7.554 1.823 -7.684 1.00 13.52 H new ATOM 0 HB1 ALA A 54 6.569 -0.119 -6.460 1.00 61.32 H new ATOM 0 HB2 ALA A 54 7.860 0.666 -5.519 1.00 61.32 H new ATOM 0 HB3 ALA A 54 6.153 0.962 -5.109 1.00 61.32 H new ATOM 309 N PRO A 55 5.181 1.293 -8.587 1.00 21.53 N ATOM 310 CA PRO A 55 3.852 1.228 -9.214 1.00 15.22 C ATOM 311 C PRO A 55 2.745 0.869 -8.219 1.00 51.35 C ATOM 312 O PRO A 55 2.958 0.105 -7.278 1.00 32.25 O ATOM 313 CB PRO A 55 3.997 0.119 -10.259 1.00 1.12 C ATOM 314 CG PRO A 55 5.456 0.072 -10.558 1.00 4.23 C ATOM 315 CD PRO A 55 6.148 0.405 -9.265 1.00 22.34 C ATOM 0 HA PRO A 55 3.562 2.193 -9.629 1.00 15.22 H new ATOM 0 HB2 PRO A 55 3.640 -0.837 -9.875 1.00 1.12 H new ATOM 0 HB3 PRO A 55 3.416 0.340 -11.154 1.00 1.12 H new ATOM 0 HG2 PRO A 55 5.750 -0.914 -10.917 1.00 4.23 H new ATOM 0 HG3 PRO A 55 5.719 0.787 -11.338 1.00 4.23 H new ATOM 0 HD2 PRO A 55 6.356 -0.489 -8.677 1.00 22.34 H new ATOM 0 HD3 PRO A 55 7.102 0.903 -9.435 1.00 22.34 H new ATOM 323 N SER A 56 1.562 1.414 -8.447 1.00 61.41 N ATOM 324 CA SER A 56 0.430 1.217 -7.546 1.00 75.40 C ATOM 325 C SER A 56 -0.645 0.324 -8.173 1.00 31.40 C ATOM 326 O SER A 56 -0.800 0.280 -9.397 1.00 35.42 O ATOM 327 CB SER A 56 -0.160 2.575 -7.159 1.00 34.34 C ATOM 328 OG SER A 56 -0.510 3.337 -8.305 1.00 3.03 O ATOM 0 H SER A 56 1.356 2.002 -9.255 1.00 61.41 H new ATOM 0 HA SER A 56 0.791 0.709 -6.652 1.00 75.40 H new ATOM 0 HB2 SER A 56 -1.043 2.425 -6.537 1.00 34.34 H new ATOM 0 HB3 SER A 56 0.562 3.129 -6.559 1.00 34.34 H new ATOM 0 HG SER A 56 -0.132 4.238 -8.227 1.00 3.03 H new ATOM 334 N ASP A 57 -1.398 -0.373 -7.327 1.00 11.41 N ATOM 335 CA ASP A 57 -2.401 -1.344 -7.786 1.00 44.44 C ATOM 336 C ASP A 57 -3.829 -0.843 -7.530 1.00 13.31 C ATOM 337 O ASP A 57 -4.048 0.067 -6.733 1.00 71.41 O ATOM 338 CB ASP A 57 -2.193 -2.694 -7.083 1.00 35.51 C ATOM 339 CG ASP A 57 -0.850 -3.325 -7.412 1.00 25.41 C ATOM 340 OD1 ASP A 57 -0.659 -3.758 -8.572 1.00 10.13 O ATOM 341 OD2 ASP A 57 0.018 -3.401 -6.520 1.00 70.33 O ATOM 0 H ASP A 57 -1.336 -0.286 -6.313 1.00 11.41 H new ATOM 0 HA ASP A 57 -2.272 -1.468 -8.861 1.00 44.44 H new ATOM 0 HB2 ASP A 57 -2.269 -2.553 -6.005 1.00 35.51 H new ATOM 0 HB3 ASP A 57 -2.992 -3.377 -7.373 1.00 35.51 H new ATOM 346 N THR A 58 -4.797 -1.446 -8.215 1.00 23.21 N ATOM 347 CA THR A 58 -6.213 -1.114 -8.018 1.00 62.13 C ATOM 348 C THR A 58 -7.050 -2.386 -7.808 1.00 14.40 C ATOM 349 O THR A 58 -7.358 -3.108 -8.758 1.00 1.12 O ATOM 350 CB THR A 58 -6.783 -0.323 -9.223 1.00 62.35 C ATOM 351 OG1 THR A 58 -6.045 0.896 -9.417 1.00 25.03 O ATOM 352 CG2 THR A 58 -8.259 0.008 -9.017 1.00 13.13 C ATOM 0 H THR A 58 -4.630 -2.170 -8.914 1.00 23.21 H new ATOM 0 HA THR A 58 -6.273 -0.489 -7.127 1.00 62.13 H new ATOM 0 HB THR A 58 -6.685 -0.953 -10.107 1.00 62.35 H new ATOM 0 HG1 THR A 58 -6.415 1.384 -10.182 1.00 25.03 H new ATOM 0 HG21 THR A 58 -8.631 0.563 -9.878 1.00 13.13 H new ATOM 0 HG22 THR A 58 -8.827 -0.916 -8.907 1.00 13.13 H new ATOM 0 HG23 THR A 58 -8.374 0.614 -8.118 1.00 13.13 H new ATOM 360 N LEU A 59 -7.422 -2.647 -6.560 1.00 44.11 N ATOM 361 CA LEU A 59 -8.199 -3.839 -6.203 1.00 23.24 C ATOM 362 C LEU A 59 -9.710 -3.611 -6.382 1.00 32.52 C ATOM 363 O LEU A 59 -10.238 -2.556 -6.026 1.00 42.22 O ATOM 364 CB LEU A 59 -7.908 -4.238 -4.747 1.00 54.23 C ATOM 365 CG LEU A 59 -6.438 -4.570 -4.433 1.00 31.21 C ATOM 366 CD1 LEU A 59 -6.257 -4.868 -2.945 1.00 13.15 C ATOM 367 CD2 LEU A 59 -5.954 -5.746 -5.281 1.00 62.53 C ATOM 0 H LEU A 59 -7.197 -2.045 -5.768 1.00 44.11 H new ATOM 0 HA LEU A 59 -7.898 -4.642 -6.876 1.00 23.24 H new ATOM 0 HB2 LEU A 59 -8.226 -3.424 -4.095 1.00 54.23 H new ATOM 0 HB3 LEU A 59 -8.520 -5.105 -4.497 1.00 54.23 H new ATOM 0 HG LEU A 59 -5.833 -3.699 -4.683 1.00 31.21 H new ATOM 0 HD11 LEU A 59 -5.211 -5.100 -2.745 1.00 13.15 H new ATOM 0 HD12 LEU A 59 -6.554 -3.997 -2.361 1.00 13.15 H new ATOM 0 HD13 LEU A 59 -6.877 -5.720 -2.666 1.00 13.15 H new ATOM 0 HD21 LEU A 59 -4.913 -5.963 -5.042 1.00 62.53 H new ATOM 0 HD22 LEU A 59 -6.565 -6.623 -5.069 1.00 62.53 H new ATOM 0 HD23 LEU A 59 -6.038 -5.492 -6.338 1.00 62.53 H new ATOM 379 N THR A 60 -10.396 -4.610 -6.937 1.00 23.22 N ATOM 380 CA THR A 60 -11.861 -4.561 -7.102 1.00 70.35 C ATOM 381 C THR A 60 -12.556 -5.574 -6.182 1.00 4.00 C ATOM 382 O THR A 60 -13.786 -5.602 -6.080 1.00 72.32 O ATOM 383 CB THR A 60 -12.272 -4.843 -8.569 1.00 14.22 C ATOM 384 OG1 THR A 60 -13.703 -4.764 -8.722 1.00 53.40 O ATOM 385 CG2 THR A 60 -11.783 -6.216 -9.025 1.00 1.32 C ATOM 0 H THR A 60 -9.966 -5.468 -7.283 1.00 23.22 H new ATOM 0 HA THR A 60 -12.178 -3.554 -6.831 1.00 70.35 H new ATOM 0 HB THR A 60 -11.804 -4.081 -9.192 1.00 14.22 H new ATOM 0 HG1 THR A 60 -14.137 -5.069 -7.898 1.00 53.40 H new ATOM 0 HG21 THR A 60 -12.086 -6.386 -10.058 1.00 1.32 H new ATOM 0 HG22 THR A 60 -10.696 -6.257 -8.955 1.00 1.32 H new ATOM 0 HG23 THR A 60 -12.217 -6.987 -8.388 1.00 1.32 H new ATOM 393 N ASP A 61 -11.756 -6.411 -5.527 1.00 32.12 N ATOM 394 CA ASP A 61 -12.258 -7.433 -4.607 1.00 4.53 C ATOM 395 C ASP A 61 -12.898 -6.809 -3.359 1.00 34.35 C ATOM 396 O ASP A 61 -12.312 -5.923 -2.732 1.00 31.51 O ATOM 397 CB ASP A 61 -11.101 -8.345 -4.194 1.00 62.01 C ATOM 398 CG ASP A 61 -10.441 -8.995 -5.392 1.00 4.44 C ATOM 399 OD1 ASP A 61 -9.643 -8.318 -6.075 1.00 53.51 O ATOM 400 OD2 ASP A 61 -10.728 -10.180 -5.675 1.00 3.12 O ATOM 0 H ASP A 61 -10.740 -6.401 -5.618 1.00 32.12 H new ATOM 0 HA ASP A 61 -13.029 -8.008 -5.120 1.00 4.53 H new ATOM 0 HB2 ASP A 61 -10.361 -7.766 -3.641 1.00 62.01 H new ATOM 0 HB3 ASP A 61 -11.470 -9.117 -3.519 1.00 62.01 H new ATOM 405 N TYR A 62 -14.090 -7.285 -2.997 1.00 24.32 N ATOM 406 CA TYR A 62 -14.794 -6.789 -1.809 1.00 63.03 C ATOM 407 C TYR A 62 -13.890 -6.864 -0.566 1.00 3.12 C ATOM 408 O TYR A 62 -13.770 -5.904 0.187 1.00 62.32 O ATOM 409 CB TYR A 62 -16.086 -7.581 -1.580 1.00 63.12 C ATOM 410 CG TYR A 62 -16.884 -7.116 -0.374 1.00 21.35 C ATOM 411 CD1 TYR A 62 -17.757 -6.037 -0.463 1.00 12.21 C ATOM 412 CD2 TYR A 62 -16.763 -7.761 0.850 1.00 41.02 C ATOM 413 CE1 TYR A 62 -18.487 -5.619 0.633 1.00 21.41 C ATOM 414 CE2 TYR A 62 -17.485 -7.348 1.950 1.00 41.34 C ATOM 415 CZ TYR A 62 -18.347 -6.275 1.838 1.00 72.42 C ATOM 416 OH TYR A 62 -19.083 -5.860 2.928 1.00 12.54 O ATOM 0 H TYR A 62 -14.590 -8.013 -3.508 1.00 24.32 H new ATOM 0 HA TYR A 62 -15.053 -5.744 -1.980 1.00 63.03 H new ATOM 0 HB2 TYR A 62 -16.711 -7.504 -2.470 1.00 63.12 H new ATOM 0 HB3 TYR A 62 -15.838 -8.635 -1.455 1.00 63.12 H new ATOM 0 HD1 TYR A 62 -17.866 -5.518 -1.404 1.00 12.21 H new ATOM 0 HD2 TYR A 62 -16.091 -8.602 0.942 1.00 41.02 H new ATOM 0 HE1 TYR A 62 -19.164 -4.782 0.546 1.00 21.41 H new ATOM 0 HE2 TYR A 62 -17.377 -7.861 2.894 1.00 41.34 H new ATOM 0 HH TYR A 62 -18.871 -6.425 3.700 1.00 12.54 H new ATOM 426 N HIS A 63 -13.263 -8.012 -0.349 1.00 53.43 N ATOM 427 CA HIS A 63 -12.239 -8.136 0.689 1.00 43.44 C ATOM 428 C HIS A 63 -10.870 -7.710 0.154 1.00 20.21 C ATOM 429 O HIS A 63 -10.111 -8.537 -0.357 1.00 23.05 O ATOM 430 CB HIS A 63 -12.155 -9.574 1.211 1.00 31.05 C ATOM 431 CG HIS A 63 -13.175 -9.904 2.242 1.00 32.44 C ATOM 432 ND1 HIS A 63 -13.802 -11.124 2.312 1.00 63.31 N ATOM 433 CD2 HIS A 63 -13.634 -9.186 3.291 1.00 4.11 C ATOM 434 CE1 HIS A 63 -14.602 -11.146 3.352 1.00 30.12 C ATOM 435 NE2 HIS A 63 -14.524 -9.982 3.965 1.00 72.30 N ATOM 0 H HIS A 63 -13.441 -8.869 -0.873 1.00 53.43 H new ATOM 0 HA HIS A 63 -12.524 -7.478 1.510 1.00 43.44 H new ATOM 0 HB2 HIS A 63 -12.266 -10.261 0.372 1.00 31.05 H new ATOM 0 HB3 HIS A 63 -11.163 -9.740 1.630 1.00 31.05 H new ATOM 0 HD2 HIS A 63 -13.353 -8.176 3.550 1.00 4.11 H new ATOM 0 HE1 HIS A 63 -15.220 -11.978 3.655 1.00 30.12 H new ATOM 0 HE2 HIS A 63 -15.041 -9.717 4.803 1.00 72.30 H new ATOM 444 N TYR A 64 -10.557 -6.424 0.252 1.00 41.40 N ATOM 445 CA TYR A 64 -9.253 -5.943 -0.187 1.00 43.44 C ATOM 446 C TYR A 64 -8.175 -6.298 0.848 1.00 51.34 C ATOM 447 O TYR A 64 -8.029 -5.649 1.883 1.00 22.11 O ATOM 448 CB TYR A 64 -9.275 -4.428 -0.491 1.00 4.32 C ATOM 449 CG TYR A 64 -9.557 -3.519 0.700 1.00 44.51 C ATOM 450 CD1 TYR A 64 -10.859 -3.259 1.117 1.00 14.22 C ATOM 451 CD2 TYR A 64 -8.517 -2.902 1.394 1.00 50.44 C ATOM 452 CE1 TYR A 64 -11.113 -2.422 2.189 1.00 62.23 C ATOM 453 CE2 TYR A 64 -8.768 -2.067 2.465 1.00 44.22 C ATOM 454 CZ TYR A 64 -10.065 -1.830 2.858 1.00 23.11 C ATOM 455 OH TYR A 64 -10.321 -0.996 3.929 1.00 12.13 O ATOM 0 H TYR A 64 -11.177 -5.705 0.625 1.00 41.40 H new ATOM 0 HA TYR A 64 -9.004 -6.446 -1.121 1.00 43.44 H new ATOM 0 HB2 TYR A 64 -8.312 -4.148 -0.919 1.00 4.32 H new ATOM 0 HB3 TYR A 64 -10.030 -4.240 -1.255 1.00 4.32 H new ATOM 0 HD1 TYR A 64 -11.685 -3.718 0.595 1.00 14.22 H new ATOM 0 HD2 TYR A 64 -7.497 -3.080 1.088 1.00 50.44 H new ATOM 0 HE1 TYR A 64 -12.130 -2.234 2.500 1.00 62.23 H new ATOM 0 HE2 TYR A 64 -7.949 -1.601 2.992 1.00 44.22 H new ATOM 0 HH TYR A 64 -9.600 -0.337 4.010 1.00 12.13 H new ATOM 465 N VAL A 65 -7.462 -7.385 0.587 1.00 23.14 N ATOM 466 CA VAL A 65 -6.343 -7.797 1.432 1.00 13.24 C ATOM 467 C VAL A 65 -5.027 -7.600 0.660 1.00 30.11 C ATOM 468 O VAL A 65 -4.727 -8.338 -0.282 1.00 64.23 O ATOM 469 CB VAL A 65 -6.509 -9.277 1.874 1.00 75.21 C ATOM 470 CG1 VAL A 65 -5.389 -9.698 2.825 1.00 45.35 C ATOM 471 CG2 VAL A 65 -7.894 -9.507 2.509 1.00 23.10 C ATOM 0 H VAL A 65 -7.638 -8.002 -0.206 1.00 23.14 H new ATOM 0 HA VAL A 65 -6.324 -7.183 2.332 1.00 13.24 H new ATOM 0 HB VAL A 65 -6.439 -9.903 0.985 1.00 75.21 H new ATOM 0 HG11 VAL A 65 -5.532 -10.738 3.117 1.00 45.35 H new ATOM 0 HG12 VAL A 65 -4.427 -9.591 2.324 1.00 45.35 H new ATOM 0 HG13 VAL A 65 -5.409 -9.066 3.713 1.00 45.35 H new ATOM 0 HG21 VAL A 65 -7.987 -10.550 2.811 1.00 23.10 H new ATOM 0 HG22 VAL A 65 -8.005 -8.865 3.383 1.00 23.10 H new ATOM 0 HG23 VAL A 65 -8.671 -9.268 1.783 1.00 23.10 H new ATOM 481 N SER A 66 -4.245 -6.598 1.061 1.00 71.03 N ATOM 482 CA SER A 66 -3.079 -6.156 0.275 1.00 12.14 C ATOM 483 C SER A 66 -1.754 -6.775 0.755 1.00 32.31 C ATOM 484 O SER A 66 -1.706 -7.485 1.764 1.00 30.31 O ATOM 485 CB SER A 66 -2.981 -4.626 0.308 1.00 72.11 C ATOM 486 OG SER A 66 -1.836 -4.169 -0.393 1.00 72.45 O ATOM 0 H SER A 66 -4.392 -6.074 1.923 1.00 71.03 H new ATOM 0 HA SER A 66 -3.236 -6.504 -0.746 1.00 12.14 H new ATOM 0 HB2 SER A 66 -3.878 -4.192 -0.134 1.00 72.11 H new ATOM 0 HB3 SER A 66 -2.938 -4.284 1.342 1.00 72.11 H new ATOM 0 HG SER A 66 -1.128 -3.947 0.247 1.00 72.45 H new ATOM 492 N THR A 67 -0.677 -6.492 0.015 1.00 72.03 N ATOM 493 CA THR A 67 0.652 -7.065 0.291 1.00 72.53 C ATOM 494 C THR A 67 1.777 -6.055 0.009 1.00 2.44 C ATOM 495 O THR A 67 1.727 -5.319 -0.976 1.00 74.42 O ATOM 496 CB THR A 67 0.922 -8.322 -0.576 1.00 72.02 C ATOM 497 OG1 THR A 67 0.846 -7.986 -1.973 1.00 1.34 O ATOM 498 CG2 THR A 67 -0.071 -9.439 -0.268 1.00 31.54 C ATOM 0 H THR A 67 -0.697 -5.864 -0.788 1.00 72.03 H new ATOM 0 HA THR A 67 0.648 -7.332 1.348 1.00 72.53 H new ATOM 0 HB THR A 67 1.924 -8.678 -0.336 1.00 72.02 H new ATOM 0 HG1 THR A 67 1.020 -8.786 -2.512 1.00 1.34 H new ATOM 0 HG21 THR A 67 0.149 -10.304 -0.894 1.00 31.54 H new ATOM 0 HG22 THR A 67 0.012 -9.720 0.782 1.00 31.54 H new ATOM 0 HG23 THR A 67 -1.084 -9.092 -0.471 1.00 31.54 H new ATOM 506 N PRO A 68 2.812 -6.004 0.874 1.00 22.21 N ATOM 507 CA PRO A 68 4.006 -5.174 0.628 1.00 33.02 C ATOM 508 C PRO A 68 4.945 -5.792 -0.431 1.00 4.53 C ATOM 509 O PRO A 68 5.442 -6.908 -0.258 1.00 24.30 O ATOM 510 CB PRO A 68 4.691 -5.145 2.000 1.00 21.35 C ATOM 511 CG PRO A 68 4.298 -6.433 2.645 1.00 64.25 C ATOM 512 CD PRO A 68 2.899 -6.727 2.164 1.00 42.12 C ATOM 0 HA PRO A 68 3.750 -4.189 0.236 1.00 33.02 H new ATOM 0 HB2 PRO A 68 5.774 -5.066 1.901 1.00 21.35 H new ATOM 0 HB3 PRO A 68 4.361 -4.290 2.590 1.00 21.35 H new ATOM 0 HG2 PRO A 68 4.983 -7.234 2.367 1.00 64.25 H new ATOM 0 HG3 PRO A 68 4.328 -6.351 3.731 1.00 64.25 H new ATOM 0 HD2 PRO A 68 2.737 -7.797 2.035 1.00 42.12 H new ATOM 0 HD3 PRO A 68 2.150 -6.374 2.872 1.00 42.12 H new ATOM 520 N LYS A 69 5.180 -5.070 -1.529 1.00 11.31 N ATOM 521 CA LYS A 69 6.070 -5.555 -2.598 1.00 61.24 C ATOM 522 C LYS A 69 7.548 -5.515 -2.176 1.00 45.33 C ATOM 523 O LYS A 69 7.985 -4.584 -1.495 1.00 54.14 O ATOM 524 CB LYS A 69 5.906 -4.708 -3.873 1.00 74.43 C ATOM 525 CG LYS A 69 4.502 -4.696 -4.463 1.00 22.41 C ATOM 526 CD LYS A 69 4.484 -3.994 -5.823 1.00 24.53 C ATOM 527 CE LYS A 69 3.070 -3.760 -6.342 1.00 14.32 C ATOM 528 NZ LYS A 69 2.282 -5.016 -6.461 1.00 43.03 N ATOM 0 H LYS A 69 4.771 -4.152 -1.705 1.00 11.31 H new ATOM 0 HA LYS A 69 5.784 -6.588 -2.794 1.00 61.24 H new ATOM 0 HB2 LYS A 69 6.198 -3.682 -3.649 1.00 74.43 H new ATOM 0 HB3 LYS A 69 6.598 -5.079 -4.629 1.00 74.43 H new ATOM 0 HG2 LYS A 69 4.141 -5.719 -4.573 1.00 22.41 H new ATOM 0 HG3 LYS A 69 3.821 -4.189 -3.779 1.00 22.41 H new ATOM 0 HD2 LYS A 69 5.000 -3.037 -5.741 1.00 24.53 H new ATOM 0 HD3 LYS A 69 5.038 -4.594 -6.545 1.00 24.53 H new ATOM 0 HE2 LYS A 69 2.552 -3.074 -5.672 1.00 14.32 H new ATOM 0 HE3 LYS A 69 3.122 -3.276 -7.317 1.00 14.32 H new ATOM 0 HZ1 LYS A 69 1.297 -4.786 -6.703 1.00 43.03 H new ATOM 0 HZ2 LYS A 69 2.692 -5.614 -7.207 1.00 43.03 H new ATOM 0 HZ3 LYS A 69 2.305 -5.528 -5.556 1.00 43.03 H new ATOM 542 N ASP A 70 8.314 -6.523 -2.593 1.00 52.52 N ATOM 543 CA ASP A 70 9.764 -6.524 -2.383 1.00 21.53 C ATOM 544 C ASP A 70 10.440 -5.468 -3.281 1.00 10.41 C ATOM 545 O ASP A 70 10.874 -5.765 -4.397 1.00 55.33 O ATOM 546 CB ASP A 70 10.339 -7.922 -2.659 1.00 63.44 C ATOM 547 CG ASP A 70 11.856 -7.974 -2.540 1.00 44.34 C ATOM 548 OD1 ASP A 70 12.380 -7.766 -1.425 1.00 63.31 O ATOM 549 OD2 ASP A 70 12.531 -8.245 -3.562 1.00 63.12 O ATOM 0 H ASP A 70 7.957 -7.347 -3.077 1.00 52.52 H new ATOM 0 HA ASP A 70 9.967 -6.266 -1.344 1.00 21.53 H new ATOM 0 HB2 ASP A 70 9.900 -8.634 -1.960 1.00 63.44 H new ATOM 0 HB3 ASP A 70 10.047 -8.238 -3.661 1.00 63.44 H new ATOM 554 N ILE A 71 10.481 -4.229 -2.801 1.00 3.43 N ATOM 555 CA ILE A 71 11.087 -3.123 -3.548 1.00 71.13 C ATOM 556 C ILE A 71 12.617 -3.098 -3.360 1.00 52.34 C ATOM 557 O ILE A 71 13.110 -3.061 -2.229 1.00 22.32 O ATOM 558 CB ILE A 71 10.485 -1.763 -3.105 1.00 23.23 C ATOM 559 CG1 ILE A 71 8.949 -1.797 -3.204 1.00 43.10 C ATOM 560 CG2 ILE A 71 11.049 -0.619 -3.948 1.00 1.15 C ATOM 561 CD1 ILE A 71 8.271 -0.531 -2.714 1.00 72.24 C ATOM 0 H ILE A 71 10.101 -3.961 -1.893 1.00 3.43 H new ATOM 0 HA ILE A 71 10.867 -3.282 -4.604 1.00 71.13 H new ATOM 0 HB ILE A 71 10.763 -1.590 -2.065 1.00 23.23 H new ATOM 0 HG12 ILE A 71 8.666 -1.970 -4.242 1.00 43.10 H new ATOM 0 HG13 ILE A 71 8.577 -2.643 -2.627 1.00 43.10 H new ATOM 0 HG21 ILE A 71 10.613 0.324 -3.620 1.00 1.15 H new ATOM 0 HG22 ILE A 71 12.132 -0.579 -3.829 1.00 1.15 H new ATOM 0 HG23 ILE A 71 10.805 -0.786 -4.997 1.00 1.15 H new ATOM 0 HD11 ILE A 71 7.191 -0.634 -2.817 1.00 72.24 H new ATOM 0 HD12 ILE A 71 8.522 -0.366 -1.666 1.00 72.24 H new ATOM 0 HD13 ILE A 71 8.613 0.317 -3.307 1.00 72.24 H new ATOM 573 N PRO A 72 13.392 -3.123 -4.467 1.00 11.53 N ATOM 574 CA PRO A 72 14.867 -3.152 -4.409 1.00 10.12 C ATOM 575 C PRO A 72 15.468 -1.975 -3.621 1.00 32.22 C ATOM 576 O PRO A 72 15.328 -0.812 -4.016 1.00 21.22 O ATOM 577 CB PRO A 72 15.293 -3.088 -5.889 1.00 2.33 C ATOM 578 CG PRO A 72 14.084 -2.618 -6.631 1.00 23.30 C ATOM 579 CD PRO A 72 12.902 -3.129 -5.857 1.00 12.21 C ATOM 0 HA PRO A 72 15.224 -4.039 -3.886 1.00 10.12 H new ATOM 0 HB2 PRO A 72 16.130 -2.403 -6.028 1.00 2.33 H new ATOM 0 HB3 PRO A 72 15.618 -4.065 -6.247 1.00 2.33 H new ATOM 0 HG2 PRO A 72 14.066 -1.530 -6.699 1.00 23.30 H new ATOM 0 HG3 PRO A 72 14.078 -3.001 -7.651 1.00 23.30 H new ATOM 0 HD2 PRO A 72 12.030 -2.487 -5.981 1.00 12.21 H new ATOM 0 HD3 PRO A 72 12.610 -4.129 -6.178 1.00 12.21 H new ATOM 587 N GLY A 73 16.135 -2.285 -2.507 1.00 14.44 N ATOM 588 CA GLY A 73 16.783 -1.255 -1.701 1.00 52.11 C ATOM 589 C GLY A 73 15.828 -0.522 -0.758 1.00 15.44 C ATOM 590 O GLY A 73 16.154 0.554 -0.253 1.00 43.12 O ATOM 0 H GLY A 73 16.239 -3.234 -2.147 1.00 14.44 H new ATOM 0 HA2 GLY A 73 17.579 -1.713 -1.114 1.00 52.11 H new ATOM 0 HA3 GLY A 73 17.253 -0.529 -2.364 1.00 52.11 H new ATOM 594 N TYR A 74 14.649 -1.097 -0.512 1.00 2.34 N ATOM 595 CA TYR A 74 13.666 -0.482 0.390 1.00 14.35 C ATOM 596 C TYR A 74 13.172 -1.444 1.484 1.00 54.02 C ATOM 597 O TYR A 74 12.931 -2.627 1.245 1.00 43.50 O ATOM 598 CB TYR A 74 12.488 0.083 -0.406 1.00 44.34 C ATOM 599 CG TYR A 74 12.803 1.420 -1.047 1.00 75.14 C ATOM 600 CD1 TYR A 74 13.383 1.500 -2.309 1.00 30.12 C ATOM 601 CD2 TYR A 74 12.525 2.604 -0.379 1.00 62.43 C ATOM 602 CE1 TYR A 74 13.677 2.722 -2.881 1.00 1.24 C ATOM 603 CE2 TYR A 74 12.813 3.825 -0.946 1.00 41.32 C ATOM 604 CZ TYR A 74 13.385 3.881 -2.197 1.00 63.51 C ATOM 605 OH TYR A 74 13.675 5.105 -2.758 1.00 35.55 O ATOM 0 H TYR A 74 14.350 -1.982 -0.921 1.00 2.34 H new ATOM 0 HA TYR A 74 14.176 0.334 0.902 1.00 14.35 H new ATOM 0 HB2 TYR A 74 12.204 -0.629 -1.181 1.00 44.34 H new ATOM 0 HB3 TYR A 74 11.628 0.195 0.255 1.00 44.34 H new ATOM 0 HD1 TYR A 74 13.607 0.592 -2.850 1.00 30.12 H new ATOM 0 HD2 TYR A 74 12.075 2.567 0.602 1.00 62.43 H new ATOM 0 HE1 TYR A 74 14.133 2.768 -3.859 1.00 1.24 H new ATOM 0 HE2 TYR A 74 12.591 4.736 -0.411 1.00 41.32 H new ATOM 0 HH TYR A 74 12.884 5.682 -2.710 1.00 35.55 H new ATOM 615 N LYS A 75 13.034 -0.893 2.685 1.00 0.41 N ATOM 616 CA LYS A 75 12.659 -1.636 3.891 1.00 43.54 C ATOM 617 C LYS A 75 11.297 -1.175 4.435 1.00 21.22 C ATOM 618 O LYS A 75 11.126 -0.009 4.788 1.00 11.53 O ATOM 619 CB LYS A 75 13.747 -1.401 4.951 1.00 74.20 C ATOM 620 CG LYS A 75 13.409 -1.886 6.355 1.00 41.50 C ATOM 621 CD LYS A 75 13.235 -3.397 6.423 1.00 13.20 C ATOM 622 CE LYS A 75 13.126 -3.866 7.864 1.00 20.31 C ATOM 623 NZ LYS A 75 11.972 -3.245 8.572 1.00 71.11 N ATOM 0 H LYS A 75 13.182 0.102 2.855 1.00 0.41 H new ATOM 0 HA LYS A 75 12.573 -2.695 3.648 1.00 43.54 H new ATOM 0 HB2 LYS A 75 14.661 -1.897 4.624 1.00 74.20 H new ATOM 0 HB3 LYS A 75 13.962 -0.333 4.996 1.00 74.20 H new ATOM 0 HG2 LYS A 75 14.200 -1.583 7.041 1.00 41.50 H new ATOM 0 HG3 LYS A 75 12.492 -1.402 6.692 1.00 41.50 H new ATOM 0 HD2 LYS A 75 12.341 -3.689 5.873 1.00 13.20 H new ATOM 0 HD3 LYS A 75 14.081 -3.887 5.940 1.00 13.20 H new ATOM 0 HE2 LYS A 75 13.021 -4.951 7.884 1.00 20.31 H new ATOM 0 HE3 LYS A 75 14.048 -3.625 8.394 1.00 20.31 H new ATOM 0 HZ1 LYS A 75 11.587 -3.918 9.265 1.00 71.11 H new ATOM 0 HZ2 LYS A 75 12.289 -2.385 9.064 1.00 71.11 H new ATOM 0 HZ3 LYS A 75 11.234 -2.997 7.882 1.00 71.11 H new ATOM 637 N LEU A 76 10.332 -2.084 4.520 1.00 15.34 N ATOM 638 CA LEU A 76 9.021 -1.752 5.089 1.00 64.43 C ATOM 639 C LEU A 76 9.132 -1.474 6.599 1.00 35.40 C ATOM 640 O LEU A 76 9.661 -2.291 7.359 1.00 32.42 O ATOM 641 CB LEU A 76 8.017 -2.886 4.840 1.00 62.41 C ATOM 642 CG LEU A 76 6.598 -2.626 5.375 1.00 33.31 C ATOM 643 CD1 LEU A 76 5.904 -1.523 4.575 1.00 30.34 C ATOM 644 CD2 LEU A 76 5.776 -3.914 5.372 1.00 10.01 C ATOM 0 H LEU A 76 10.426 -3.050 4.206 1.00 15.34 H new ATOM 0 HA LEU A 76 8.663 -0.850 4.593 1.00 64.43 H new ATOM 0 HB2 LEU A 76 7.957 -3.069 3.767 1.00 62.41 H new ATOM 0 HB3 LEU A 76 8.400 -3.798 5.298 1.00 62.41 H new ATOM 0 HG LEU A 76 6.680 -2.283 6.406 1.00 33.31 H new ATOM 0 HD11 LEU A 76 4.903 -1.359 4.974 1.00 30.34 H new ATOM 0 HD12 LEU A 76 6.480 -0.601 4.651 1.00 30.34 H new ATOM 0 HD13 LEU A 76 5.834 -1.822 3.529 1.00 30.34 H new ATOM 0 HD21 LEU A 76 4.776 -3.708 5.754 1.00 10.01 H new ATOM 0 HD22 LEU A 76 5.704 -4.297 4.354 1.00 10.01 H new ATOM 0 HD23 LEU A 76 6.261 -4.657 6.006 1.00 10.01 H new ATOM 656 N ARG A 77 8.642 -0.311 7.026 1.00 25.21 N ATOM 657 CA ARG A 77 8.679 0.075 8.443 1.00 1.33 C ATOM 658 C ARG A 77 7.367 -0.259 9.159 1.00 64.35 C ATOM 659 O ARG A 77 7.370 -0.692 10.315 1.00 21.23 O ATOM 660 CB ARG A 77 8.975 1.575 8.573 1.00 13.11 C ATOM 661 CG ARG A 77 8.020 2.470 7.791 1.00 11.13 C ATOM 662 CD ARG A 77 8.429 3.941 7.852 1.00 73.41 C ATOM 663 NE ARG A 77 8.099 4.576 9.128 1.00 25.11 N ATOM 664 CZ ARG A 77 8.568 5.735 9.505 1.00 32.24 C ATOM 665 NH1 ARG A 77 9.454 6.345 8.784 1.00 14.33 N ATOM 666 NH2 ARG A 77 8.171 6.278 10.609 1.00 11.25 N ATOM 0 H ARG A 77 8.214 0.383 6.414 1.00 25.21 H new ATOM 0 HA ARG A 77 9.474 -0.498 8.919 1.00 1.33 H new ATOM 0 HB2 ARG A 77 8.934 1.852 9.626 1.00 13.11 H new ATOM 0 HB3 ARG A 77 9.993 1.764 8.233 1.00 13.11 H new ATOM 0 HG2 ARG A 77 7.990 2.146 6.751 1.00 11.13 H new ATOM 0 HG3 ARG A 77 7.011 2.358 8.189 1.00 11.13 H new ATOM 0 HD2 ARG A 77 9.502 4.021 7.680 1.00 73.41 H new ATOM 0 HD3 ARG A 77 7.936 4.483 7.045 1.00 73.41 H new ATOM 0 HE ARG A 77 7.466 4.085 9.760 1.00 25.11 H new ATOM 0 HH11 ARG A 77 9.788 5.920 7.919 1.00 14.33 H new ATOM 0 HH12 ARG A 77 9.818 7.250 9.081 1.00 14.33 H new ATOM 0 HH21 ARG A 77 7.485 5.801 11.194 1.00 11.25 H new ATOM 0 HH22 ARG A 77 8.543 7.184 10.895 1.00 11.25 H new ATOM 680 N GLU A 78 6.247 -0.066 8.468 1.00 23.51 N ATOM 681 CA GLU A 78 4.928 -0.243 9.076 1.00 75.22 C ATOM 682 C GLU A 78 3.858 -0.583 8.027 1.00 20.51 C ATOM 683 O GLU A 78 3.828 -0.006 6.935 1.00 34.25 O ATOM 684 CB GLU A 78 4.539 1.032 9.845 1.00 25.40 C ATOM 685 CG GLU A 78 4.483 2.285 8.972 1.00 65.24 C ATOM 686 CD GLU A 78 4.432 3.572 9.783 1.00 13.03 C ATOM 687 OE1 GLU A 78 3.330 3.985 10.195 1.00 60.42 O ATOM 688 OE2 GLU A 78 5.498 4.181 10.005 1.00 73.33 O ATOM 0 H GLU A 78 6.224 0.213 7.487 1.00 23.51 H new ATOM 0 HA GLU A 78 4.983 -1.084 9.767 1.00 75.22 H new ATOM 0 HB2 GLU A 78 3.565 0.881 10.311 1.00 25.40 H new ATOM 0 HB3 GLU A 78 5.256 1.193 10.650 1.00 25.40 H new ATOM 0 HG2 GLU A 78 5.357 2.307 8.321 1.00 65.24 H new ATOM 0 HG3 GLU A 78 3.606 2.233 8.327 1.00 65.24 H new ATOM 695 N ILE A 79 3.003 -1.542 8.360 1.00 64.54 N ATOM 696 CA ILE A 79 1.865 -1.898 7.519 1.00 12.52 C ATOM 697 C ILE A 79 0.645 -1.035 7.885 1.00 25.43 C ATOM 698 O ILE A 79 0.191 -1.049 9.032 1.00 52.35 O ATOM 699 CB ILE A 79 1.514 -3.404 7.664 1.00 34.24 C ATOM 700 CG1 ILE A 79 2.666 -4.272 7.128 1.00 52.53 C ATOM 701 CG2 ILE A 79 0.210 -3.731 6.942 1.00 51.05 C ATOM 702 CD1 ILE A 79 2.416 -5.764 7.225 1.00 63.12 C ATOM 0 H ILE A 79 3.077 -2.093 9.215 1.00 64.54 H new ATOM 0 HA ILE A 79 2.138 -1.710 6.481 1.00 12.52 H new ATOM 0 HB ILE A 79 1.375 -3.625 8.722 1.00 34.24 H new ATOM 0 HG12 ILE A 79 2.847 -4.012 6.085 1.00 52.53 H new ATOM 0 HG13 ILE A 79 3.575 -4.031 7.679 1.00 52.53 H new ATOM 0 HG21 ILE A 79 -0.014 -4.791 7.058 1.00 51.05 H new ATOM 0 HG22 ILE A 79 -0.600 -3.140 7.369 1.00 51.05 H new ATOM 0 HG23 ILE A 79 0.312 -3.496 5.883 1.00 51.05 H new ATOM 0 HD11 ILE A 79 3.275 -6.304 6.826 1.00 63.12 H new ATOM 0 HD12 ILE A 79 2.266 -6.041 8.269 1.00 63.12 H new ATOM 0 HD13 ILE A 79 1.527 -6.022 6.650 1.00 63.12 H new ATOM 714 N PRO A 80 0.098 -0.272 6.916 1.00 50.03 N ATOM 715 CA PRO A 80 -1.016 0.667 7.158 1.00 71.05 C ATOM 716 C PRO A 80 -2.261 0.008 7.780 1.00 33.43 C ATOM 717 O PRO A 80 -2.551 -1.168 7.540 1.00 11.52 O ATOM 718 CB PRO A 80 -1.345 1.204 5.751 1.00 55.05 C ATOM 719 CG PRO A 80 -0.720 0.231 4.806 1.00 30.24 C ATOM 720 CD PRO A 80 0.516 -0.257 5.503 1.00 13.54 C ATOM 0 HA PRO A 80 -0.729 1.433 7.878 1.00 71.05 H new ATOM 0 HB2 PRO A 80 -2.422 1.268 5.596 1.00 55.05 H new ATOM 0 HB3 PRO A 80 -0.942 2.207 5.608 1.00 55.05 H new ATOM 0 HG2 PRO A 80 -1.398 -0.593 4.584 1.00 30.24 H new ATOM 0 HG3 PRO A 80 -0.475 0.707 3.856 1.00 30.24 H new ATOM 0 HD2 PRO A 80 0.813 -1.247 5.157 1.00 13.54 H new ATOM 0 HD3 PRO A 80 1.365 0.407 5.337 1.00 13.54 H new ATOM 728 N HIS A 81 -3.005 0.778 8.578 1.00 64.21 N ATOM 729 CA HIS A 81 -4.260 0.295 9.172 1.00 0.25 C ATOM 730 C HIS A 81 -5.252 -0.148 8.083 1.00 63.03 C ATOM 731 O HIS A 81 -6.105 -1.008 8.303 1.00 62.24 O ATOM 732 CB HIS A 81 -4.895 1.388 10.050 1.00 43.44 C ATOM 733 CG HIS A 81 -5.399 2.581 9.287 1.00 51.42 C ATOM 734 ND1 HIS A 81 -6.711 2.720 8.886 1.00 60.35 N ATOM 735 CD2 HIS A 81 -4.762 3.694 8.853 1.00 60.45 C ATOM 736 CE1 HIS A 81 -6.857 3.859 8.240 1.00 25.23 C ATOM 737 NE2 HIS A 81 -5.693 4.465 8.206 1.00 61.25 N ATOM 0 H HIS A 81 -2.763 1.737 8.829 1.00 64.21 H new ATOM 0 HA HIS A 81 -4.026 -0.568 9.795 1.00 0.25 H new ATOM 0 HB2 HIS A 81 -5.723 0.953 10.609 1.00 43.44 H new ATOM 0 HB3 HIS A 81 -4.159 1.723 10.781 1.00 43.44 H new ATOM 0 HD2 HIS A 81 -3.717 3.930 8.991 1.00 60.45 H new ATOM 0 HE1 HIS A 81 -7.776 4.230 7.812 1.00 25.23 H new ATOM 0 HE2 HIS A 81 -5.510 5.367 7.767 1.00 61.25 H new ATOM 746 N ASN A 82 -5.104 0.434 6.898 1.00 3.34 N ATOM 747 CA ASN A 82 -6.013 0.195 5.776 1.00 51.02 C ATOM 748 C ASN A 82 -5.530 -0.968 4.877 1.00 40.43 C ATOM 749 O ASN A 82 -6.102 -1.228 3.824 1.00 45.22 O ATOM 750 CB ASN A 82 -6.113 1.498 4.969 1.00 74.45 C ATOM 751 CG ASN A 82 -7.102 1.426 3.825 1.00 75.11 C ATOM 752 OD1 ASN A 82 -8.121 0.753 3.902 1.00 72.23 O ATOM 753 ND2 ASN A 82 -6.802 2.128 2.757 1.00 34.44 N ATOM 0 H ASN A 82 -4.350 1.087 6.685 1.00 3.34 H new ATOM 0 HA ASN A 82 -6.991 -0.098 6.159 1.00 51.02 H new ATOM 0 HB2 ASN A 82 -6.402 2.309 5.638 1.00 74.45 H new ATOM 0 HB3 ASN A 82 -5.129 1.747 4.573 1.00 74.45 H new ATOM 0 HD21 ASN A 82 -7.429 2.125 1.952 1.00 34.44 H new ATOM 0 HD22 ASN A 82 -5.942 2.676 2.732 1.00 34.44 H new ATOM 760 N ALA A 83 -4.490 -1.679 5.310 1.00 4.14 N ATOM 761 CA ALA A 83 -3.896 -2.762 4.505 1.00 21.41 C ATOM 762 C ALA A 83 -4.881 -3.906 4.209 1.00 55.23 C ATOM 763 O ALA A 83 -4.821 -4.530 3.145 1.00 41.30 O ATOM 764 CB ALA A 83 -2.663 -3.318 5.199 1.00 60.23 C ATOM 0 H ALA A 83 -4.037 -1.530 6.212 1.00 4.14 H new ATOM 0 HA ALA A 83 -3.622 -2.319 3.548 1.00 21.41 H new ATOM 0 HB1 ALA A 83 -2.234 -4.117 4.594 1.00 60.23 H new ATOM 0 HB2 ALA A 83 -1.927 -2.524 5.325 1.00 60.23 H new ATOM 0 HB3 ALA A 83 -2.942 -3.713 6.176 1.00 60.23 H new ATOM 770 N THR A 84 -5.766 -4.198 5.157 1.00 43.12 N ATOM 771 CA THR A 84 -6.730 -5.303 5.010 1.00 3.33 C ATOM 772 C THR A 84 -8.140 -4.881 5.445 1.00 73.43 C ATOM 773 O THR A 84 -8.299 -4.173 6.443 1.00 61.14 O ATOM 774 CB THR A 84 -6.313 -6.541 5.853 1.00 53.12 C ATOM 775 OG1 THR A 84 -6.266 -6.201 7.252 1.00 33.22 O ATOM 776 CG2 THR A 84 -4.952 -7.078 5.417 1.00 15.31 C ATOM 0 H THR A 84 -5.842 -3.690 6.038 1.00 43.12 H new ATOM 0 HA THR A 84 -6.734 -5.564 3.952 1.00 3.33 H new ATOM 0 HB THR A 84 -7.061 -7.317 5.690 1.00 53.12 H new ATOM 0 HG1 THR A 84 -6.004 -6.989 7.772 1.00 33.22 H new ATOM 0 HG21 THR A 84 -4.690 -7.943 6.026 1.00 15.31 H new ATOM 0 HG22 THR A 84 -4.996 -7.372 4.368 1.00 15.31 H new ATOM 0 HG23 THR A 84 -4.197 -6.302 5.545 1.00 15.31 H new ATOM 784 N GLY A 85 -9.159 -5.310 4.700 1.00 52.52 N ATOM 785 CA GLY A 85 -10.538 -5.039 5.095 1.00 32.33 C ATOM 786 C GLY A 85 -11.558 -5.307 3.992 1.00 21.02 C ATOM 787 O GLY A 85 -11.228 -5.865 2.947 1.00 13.31 O ATOM 0 H GLY A 85 -9.057 -5.838 3.833 1.00 52.52 H new ATOM 0 HA2 GLY A 85 -10.785 -5.652 5.962 1.00 32.33 H new ATOM 0 HA3 GLY A 85 -10.619 -3.998 5.407 1.00 32.33 H new ATOM 791 N ASN A 86 -12.808 -4.920 4.241 1.00 13.01 N ATOM 792 CA ASN A 86 -13.875 -5.038 3.242 1.00 31.13 C ATOM 793 C ASN A 86 -14.229 -3.676 2.625 1.00 14.33 C ATOM 794 O ASN A 86 -14.163 -2.646 3.297 1.00 33.52 O ATOM 795 CB ASN A 86 -15.115 -5.698 3.870 1.00 51.31 C ATOM 796 CG ASN A 86 -15.472 -5.180 5.261 1.00 2.02 C ATOM 797 OD1 ASN A 86 -15.954 -5.933 6.096 1.00 53.02 O ATOM 798 ND2 ASN A 86 -15.261 -3.906 5.529 1.00 31.21 N ATOM 0 H ASN A 86 -13.110 -4.520 5.129 1.00 13.01 H new ATOM 0 HA ASN A 86 -13.512 -5.671 2.432 1.00 31.13 H new ATOM 0 HB2 ASN A 86 -15.968 -5.543 3.209 1.00 51.31 H new ATOM 0 HB3 ASN A 86 -14.948 -6.774 3.928 1.00 51.31 H new ATOM 0 HD21 ASN A 86 -15.501 -3.531 6.447 1.00 31.21 H new ATOM 0 HD22 ASN A 86 -14.858 -3.295 4.818 1.00 31.21 H new ATOM 805 N ILE A 87 -14.586 -3.664 1.343 1.00 50.23 N ATOM 806 CA ILE A 87 -14.962 -2.419 0.669 1.00 71.33 C ATOM 807 C ILE A 87 -16.342 -1.942 1.133 1.00 30.31 C ATOM 808 O ILE A 87 -17.378 -2.383 0.628 1.00 21.21 O ATOM 809 CB ILE A 87 -14.960 -2.559 -0.880 1.00 75.22 C ATOM 810 CG1 ILE A 87 -13.569 -2.979 -1.380 1.00 53.34 C ATOM 811 CG2 ILE A 87 -15.389 -1.248 -1.546 1.00 65.41 C ATOM 812 CD1 ILE A 87 -13.456 -3.062 -2.890 1.00 1.33 C ATOM 0 H ILE A 87 -14.624 -4.494 0.752 1.00 50.23 H new ATOM 0 HA ILE A 87 -14.208 -1.681 0.942 1.00 71.33 H new ATOM 0 HB ILE A 87 -15.678 -3.333 -1.151 1.00 75.22 H new ATOM 0 HG12 ILE A 87 -12.831 -2.268 -1.009 1.00 53.34 H new ATOM 0 HG13 ILE A 87 -13.319 -3.950 -0.953 1.00 53.34 H new ATOM 0 HG21 ILE A 87 -15.380 -1.370 -2.629 1.00 65.41 H new ATOM 0 HG22 ILE A 87 -16.395 -0.986 -1.219 1.00 65.41 H new ATOM 0 HG23 ILE A 87 -14.698 -0.454 -1.265 1.00 65.41 H new ATOM 0 HD11 ILE A 87 -12.445 -3.364 -3.163 1.00 1.33 H new ATOM 0 HD12 ILE A 87 -14.169 -3.795 -3.268 1.00 1.33 H new ATOM 0 HD13 ILE A 87 -13.673 -2.087 -3.325 1.00 1.33 H new ATOM 824 N THR A 88 -16.340 -1.057 2.120 1.00 11.24 N ATOM 825 CA THR A 88 -17.571 -0.454 2.644 1.00 65.53 C ATOM 826 C THR A 88 -17.556 1.064 2.431 1.00 55.24 C ATOM 827 O THR A 88 -18.357 1.803 3.007 1.00 63.34 O ATOM 828 CB THR A 88 -17.736 -0.751 4.152 1.00 3.31 C ATOM 829 OG1 THR A 88 -16.591 -0.272 4.875 1.00 74.24 O ATOM 830 CG2 THR A 88 -17.910 -2.249 4.403 1.00 62.33 C ATOM 0 H THR A 88 -15.491 -0.733 2.583 1.00 11.24 H new ATOM 0 HA THR A 88 -18.409 -0.892 2.102 1.00 65.53 H new ATOM 0 HB THR A 88 -18.631 -0.236 4.501 1.00 3.31 H new ATOM 0 HG1 THR A 88 -16.704 -0.462 5.830 1.00 74.24 H new ATOM 0 HG21 THR A 88 -18.024 -2.428 5.472 1.00 62.33 H new ATOM 0 HG22 THR A 88 -18.797 -2.605 3.879 1.00 62.33 H new ATOM 0 HG23 THR A 88 -17.033 -2.783 4.037 1.00 62.33 H new ATOM 838 N ASP A 89 -16.630 1.506 1.584 1.00 51.12 N ATOM 839 CA ASP A 89 -16.420 2.923 1.293 1.00 23.54 C ATOM 840 C ASP A 89 -15.693 3.066 -0.057 1.00 12.15 C ATOM 841 O ASP A 89 -15.008 2.140 -0.496 1.00 42.12 O ATOM 842 CB ASP A 89 -15.600 3.550 2.430 1.00 72.54 C ATOM 843 CG ASP A 89 -15.521 5.062 2.360 1.00 5.24 C ATOM 844 OD1 ASP A 89 -16.552 5.725 2.600 1.00 72.32 O ATOM 845 OD2 ASP A 89 -14.422 5.596 2.102 1.00 5.41 O ATOM 0 H ASP A 89 -15.999 0.886 1.076 1.00 51.12 H new ATOM 0 HA ASP A 89 -17.376 3.442 1.223 1.00 23.54 H new ATOM 0 HB2 ASP A 89 -16.039 3.261 3.385 1.00 72.54 H new ATOM 0 HB3 ASP A 89 -14.590 3.140 2.407 1.00 72.54 H new ATOM 850 N THR A 90 -15.844 4.207 -0.724 1.00 71.41 N ATOM 851 CA THR A 90 -15.190 4.419 -2.025 1.00 63.00 C ATOM 852 C THR A 90 -14.028 5.412 -1.924 1.00 44.11 C ATOM 853 O THR A 90 -14.020 6.299 -1.066 1.00 14.33 O ATOM 854 CB THR A 90 -16.189 4.896 -3.107 1.00 75.32 C ATOM 855 OG1 THR A 90 -15.518 5.083 -4.361 1.00 65.12 O ATOM 856 CG2 THR A 90 -16.881 6.189 -2.697 1.00 44.14 C ATOM 0 H THR A 90 -16.405 4.994 -0.396 1.00 71.41 H new ATOM 0 HA THR A 90 -14.794 3.449 -2.325 1.00 63.00 H new ATOM 0 HB THR A 90 -16.949 4.122 -3.215 1.00 75.32 H new ATOM 0 HG1 THR A 90 -16.146 4.919 -5.096 1.00 65.12 H new ATOM 0 HG21 THR A 90 -17.575 6.494 -3.480 1.00 44.14 H new ATOM 0 HG22 THR A 90 -17.429 6.030 -1.768 1.00 44.14 H new ATOM 0 HG23 THR A 90 -16.135 6.970 -2.549 1.00 44.14 H new ATOM 864 N GLY A 91 -13.047 5.259 -2.807 1.00 2.20 N ATOM 865 CA GLY A 91 -11.837 6.071 -2.737 1.00 35.30 C ATOM 866 C GLY A 91 -10.853 5.579 -1.676 1.00 14.23 C ATOM 867 O GLY A 91 -10.086 6.363 -1.113 1.00 34.53 O ATOM 0 H GLY A 91 -13.065 4.586 -3.574 1.00 2.20 H new ATOM 0 HA2 GLY A 91 -11.346 6.068 -3.710 1.00 35.30 H new ATOM 0 HA3 GLY A 91 -12.110 7.104 -2.521 1.00 35.30 H new ATOM 871 N ILE A 92 -10.871 4.274 -1.409 1.00 25.05 N ATOM 872 CA ILE A 92 -9.995 3.671 -0.395 1.00 0.31 C ATOM 873 C ILE A 92 -8.556 3.504 -0.920 1.00 2.13 C ATOM 874 O ILE A 92 -8.328 2.865 -1.950 1.00 64.15 O ATOM 875 CB ILE A 92 -10.541 2.294 0.077 1.00 45.23 C ATOM 876 CG1 ILE A 92 -11.943 2.456 0.695 1.00 2.11 C ATOM 877 CG2 ILE A 92 -9.584 1.644 1.079 1.00 12.51 C ATOM 878 CD1 ILE A 92 -12.549 1.163 1.211 1.00 52.31 C ATOM 0 H ILE A 92 -11.484 3.609 -1.881 1.00 25.05 H new ATOM 0 HA ILE A 92 -9.979 4.353 0.455 1.00 0.31 H new ATOM 0 HB ILE A 92 -10.618 1.640 -0.792 1.00 45.23 H new ATOM 0 HG12 ILE A 92 -11.885 3.170 1.516 1.00 2.11 H new ATOM 0 HG13 ILE A 92 -12.610 2.884 -0.053 1.00 2.11 H new ATOM 0 HG21 ILE A 92 -9.987 0.682 1.395 1.00 12.51 H new ATOM 0 HG22 ILE A 92 -8.612 1.494 0.609 1.00 12.51 H new ATOM 0 HG23 ILE A 92 -9.471 2.293 1.947 1.00 12.51 H new ATOM 0 HD11 ILE A 92 -13.535 1.365 1.630 1.00 52.31 H new ATOM 0 HD12 ILE A 92 -12.642 0.452 0.390 1.00 52.31 H new ATOM 0 HD13 ILE A 92 -11.906 0.743 1.984 1.00 52.31 H new ATOM 890 N ILE A 93 -7.589 4.092 -0.216 1.00 41.10 N ATOM 891 CA ILE A 93 -6.179 4.025 -0.629 1.00 5.25 C ATOM 892 C ILE A 93 -5.294 3.324 0.419 1.00 12.14 C ATOM 893 O ILE A 93 -5.093 3.831 1.528 1.00 4.21 O ATOM 894 CB ILE A 93 -5.605 5.438 -0.909 1.00 54.10 C ATOM 895 CG1 ILE A 93 -6.405 6.124 -2.034 1.00 11.45 C ATOM 896 CG2 ILE A 93 -4.117 5.352 -1.266 1.00 54.11 C ATOM 897 CD1 ILE A 93 -5.901 7.505 -2.397 1.00 2.51 C ATOM 0 H ILE A 93 -7.751 4.620 0.642 1.00 41.10 H new ATOM 0 HA ILE A 93 -6.163 3.436 -1.546 1.00 5.25 H new ATOM 0 HB ILE A 93 -5.699 6.041 -0.006 1.00 54.10 H new ATOM 0 HG12 ILE A 93 -6.376 5.493 -2.922 1.00 11.45 H new ATOM 0 HG13 ILE A 93 -7.449 6.198 -1.730 1.00 11.45 H new ATOM 0 HG21 ILE A 93 -3.731 6.353 -1.459 1.00 54.11 H new ATOM 0 HG22 ILE A 93 -3.569 4.906 -0.436 1.00 54.11 H new ATOM 0 HG23 ILE A 93 -3.992 4.736 -2.157 1.00 54.11 H new ATOM 0 HD11 ILE A 93 -6.517 7.919 -3.196 1.00 2.51 H new ATOM 0 HD12 ILE A 93 -5.956 8.154 -1.523 1.00 2.51 H new ATOM 0 HD13 ILE A 93 -4.867 7.438 -2.734 1.00 2.51 H new ATOM 909 N VAL A 94 -4.767 2.158 0.060 1.00 42.35 N ATOM 910 CA VAL A 94 -3.834 1.426 0.918 1.00 21.13 C ATOM 911 C VAL A 94 -2.389 1.856 0.627 1.00 30.50 C ATOM 912 O VAL A 94 -1.802 1.458 -0.376 1.00 63.43 O ATOM 913 CB VAL A 94 -3.959 -0.104 0.712 1.00 33.11 C ATOM 914 CG1 VAL A 94 -3.008 -0.853 1.640 1.00 61.23 C ATOM 915 CG2 VAL A 94 -5.403 -0.559 0.910 1.00 42.33 C ATOM 0 H VAL A 94 -4.970 1.695 -0.826 1.00 42.35 H new ATOM 0 HA VAL A 94 -4.088 1.662 1.951 1.00 21.13 H new ATOM 0 HB VAL A 94 -3.675 -0.338 -0.314 1.00 33.11 H new ATOM 0 HG11 VAL A 94 -3.112 -1.926 1.479 1.00 61.23 H new ATOM 0 HG12 VAL A 94 -1.982 -0.552 1.429 1.00 61.23 H new ATOM 0 HG13 VAL A 94 -3.250 -0.617 2.676 1.00 61.23 H new ATOM 0 HG21 VAL A 94 -5.469 -1.637 0.761 1.00 42.33 H new ATOM 0 HG22 VAL A 94 -5.727 -0.312 1.921 1.00 42.33 H new ATOM 0 HG23 VAL A 94 -6.046 -0.053 0.190 1.00 42.33 H new ATOM 925 N ARG A 95 -1.827 2.689 1.493 1.00 71.24 N ATOM 926 CA ARG A 95 -0.473 3.225 1.267 1.00 2.41 C ATOM 927 C ARG A 95 0.562 2.647 2.255 1.00 41.14 C ATOM 928 O ARG A 95 0.456 2.835 3.465 1.00 13.31 O ATOM 929 CB ARG A 95 -0.485 4.759 1.363 1.00 73.13 C ATOM 930 CG ARG A 95 0.812 5.404 0.894 1.00 1.32 C ATOM 931 CD ARG A 95 0.797 6.920 1.058 1.00 52.41 C ATOM 932 NE ARG A 95 -0.033 7.576 0.053 1.00 55.42 N ATOM 933 CZ ARG A 95 -0.146 8.870 -0.077 1.00 63.32 C ATOM 934 NH1 ARG A 95 0.458 9.674 0.739 1.00 60.22 N ATOM 935 NH2 ARG A 95 -0.871 9.357 -1.025 1.00 50.21 N ATOM 0 H ARG A 95 -2.274 3.011 2.352 1.00 71.24 H new ATOM 0 HA ARG A 95 -0.173 2.921 0.264 1.00 2.41 H new ATOM 0 HB2 ARG A 95 -1.311 5.147 0.767 1.00 73.13 H new ATOM 0 HB3 ARG A 95 -0.674 5.050 2.396 1.00 73.13 H new ATOM 0 HG2 ARG A 95 1.647 4.988 1.458 1.00 1.32 H new ATOM 0 HG3 ARG A 95 0.980 5.156 -0.154 1.00 1.32 H new ATOM 0 HD2 ARG A 95 0.428 7.172 2.052 1.00 52.41 H new ATOM 0 HD3 ARG A 95 1.816 7.301 0.990 1.00 52.41 H new ATOM 0 HE ARG A 95 -0.559 6.985 -0.590 1.00 55.42 H new ATOM 0 HH11 ARG A 95 1.031 9.298 1.495 1.00 60.22 H new ATOM 0 HH12 ARG A 95 0.361 10.683 0.626 1.00 60.22 H new ATOM 0 HH21 ARG A 95 -1.354 8.732 -1.670 1.00 50.21 H new ATOM 0 HH22 ARG A 95 -0.962 10.368 -1.130 1.00 50.21 H new ATOM 949 N TYR A 96 1.571 1.956 1.720 1.00 51.51 N ATOM 950 CA TYR A 96 2.667 1.393 2.529 1.00 65.32 C ATOM 951 C TYR A 96 3.851 2.368 2.637 1.00 43.22 C ATOM 952 O TYR A 96 4.131 3.116 1.701 1.00 12.22 O ATOM 953 CB TYR A 96 3.156 0.075 1.913 1.00 13.55 C ATOM 954 CG TYR A 96 2.164 -1.065 2.022 1.00 33.52 C ATOM 955 CD1 TYR A 96 1.053 -1.128 1.190 1.00 64.45 C ATOM 956 CD2 TYR A 96 2.342 -2.079 2.959 1.00 13.45 C ATOM 957 CE1 TYR A 96 0.149 -2.164 1.290 1.00 20.34 C ATOM 958 CE2 TYR A 96 1.441 -3.120 3.062 1.00 3.24 C ATOM 959 CZ TYR A 96 0.346 -3.156 2.225 1.00 20.41 C ATOM 960 OH TYR A 96 -0.551 -4.190 2.321 1.00 41.14 O ATOM 0 H TYR A 96 1.656 1.769 0.721 1.00 51.51 H new ATOM 0 HA TYR A 96 2.274 1.214 3.530 1.00 65.32 H new ATOM 0 HB2 TYR A 96 3.387 0.242 0.861 1.00 13.55 H new ATOM 0 HB3 TYR A 96 4.086 -0.219 2.401 1.00 13.55 H new ATOM 0 HD1 TYR A 96 0.895 -0.354 0.454 1.00 64.45 H new ATOM 0 HD2 TYR A 96 3.199 -2.051 3.616 1.00 13.45 H new ATOM 0 HE1 TYR A 96 -0.711 -2.198 0.637 1.00 20.34 H new ATOM 0 HE2 TYR A 96 1.593 -3.900 3.793 1.00 3.24 H new ATOM 0 HH TYR A 96 -0.266 -4.805 3.029 1.00 41.14 H new ATOM 970 N ILE A 97 4.554 2.339 3.775 1.00 3.21 N ATOM 971 CA ILE A 97 5.703 3.230 4.007 1.00 3.23 C ATOM 972 C ILE A 97 7.019 2.434 4.078 1.00 54.42 C ATOM 973 O ILE A 97 7.144 1.496 4.871 1.00 20.01 O ATOM 974 CB ILE A 97 5.546 4.029 5.330 1.00 64.50 C ATOM 975 CG1 ILE A 97 4.092 4.499 5.525 1.00 51.12 C ATOM 976 CG2 ILE A 97 6.497 5.228 5.336 1.00 3.14 C ATOM 977 CD1 ILE A 97 3.645 5.547 4.528 1.00 51.30 C ATOM 0 H ILE A 97 4.350 1.709 4.551 1.00 3.21 H new ATOM 0 HA ILE A 97 5.733 3.921 3.165 1.00 3.23 H new ATOM 0 HB ILE A 97 5.801 3.369 6.159 1.00 64.50 H new ATOM 0 HG12 ILE A 97 3.429 3.637 5.452 1.00 51.12 H new ATOM 0 HG13 ILE A 97 3.983 4.901 6.532 1.00 51.12 H new ATOM 0 HG21 ILE A 97 6.379 5.781 6.268 1.00 3.14 H new ATOM 0 HG22 ILE A 97 7.525 4.877 5.250 1.00 3.14 H new ATOM 0 HG23 ILE A 97 6.265 5.881 4.494 1.00 3.14 H new ATOM 0 HD11 ILE A 97 2.611 5.825 4.732 1.00 51.30 H new ATOM 0 HD12 ILE A 97 4.282 6.427 4.615 1.00 51.30 H new ATOM 0 HD13 ILE A 97 3.720 5.144 3.518 1.00 51.30 H new ATOM 989 N TYR A 98 8.002 2.814 3.260 1.00 3.33 N ATOM 990 CA TYR A 98 9.295 2.115 3.220 1.00 0.44 C ATOM 991 C TYR A 98 10.467 3.053 3.535 1.00 1.05 C ATOM 992 O TYR A 98 10.577 4.140 2.969 1.00 52.31 O ATOM 993 CB TYR A 98 9.512 1.487 1.834 1.00 53.02 C ATOM 994 CG TYR A 98 8.435 0.498 1.416 1.00 65.31 C ATOM 995 CD1 TYR A 98 7.261 0.932 0.809 1.00 22.32 C ATOM 996 CD2 TYR A 98 8.591 -0.869 1.627 1.00 43.15 C ATOM 997 CE1 TYR A 98 6.281 0.037 0.425 1.00 52.25 C ATOM 998 CE2 TYR A 98 7.615 -1.769 1.244 1.00 31.33 C ATOM 999 CZ TYR A 98 6.460 -1.311 0.645 1.00 52.55 C ATOM 1000 OH TYR A 98 5.486 -2.206 0.261 1.00 74.41 O ATOM 0 H TYR A 98 7.931 3.601 2.615 1.00 3.33 H new ATOM 0 HA TYR A 98 9.265 1.339 3.985 1.00 0.44 H new ATOM 0 HB2 TYR A 98 9.564 2.284 1.092 1.00 53.02 H new ATOM 0 HB3 TYR A 98 10.477 0.980 1.826 1.00 53.02 H new ATOM 0 HD1 TYR A 98 7.113 1.988 0.635 1.00 22.32 H new ATOM 0 HD2 TYR A 98 9.492 -1.233 2.099 1.00 43.15 H new ATOM 0 HE1 TYR A 98 5.377 0.393 -0.046 1.00 52.25 H new ATOM 0 HE2 TYR A 98 7.756 -2.826 1.413 1.00 31.33 H new ATOM 0 HH TYR A 98 5.770 -3.116 0.488 1.00 74.41 H new ATOM 1010 N ASP A 99 11.335 2.628 4.446 1.00 52.05 N ATOM 1011 CA ASP A 99 12.596 3.318 4.690 1.00 52.11 C ATOM 1012 C ASP A 99 13.652 2.818 3.707 1.00 25.42 C ATOM 1013 O ASP A 99 13.788 1.613 3.495 1.00 1.03 O ATOM 1014 CB ASP A 99 13.089 3.076 6.123 1.00 25.50 C ATOM 1015 CG ASP A 99 12.323 3.858 7.172 1.00 64.32 C ATOM 1016 OD1 ASP A 99 12.609 5.062 7.359 1.00 22.31 O ATOM 1017 OD2 ASP A 99 11.460 3.267 7.842 1.00 1.33 O ATOM 0 H ASP A 99 11.187 1.805 5.030 1.00 52.05 H new ATOM 0 HA ASP A 99 12.431 4.387 4.553 1.00 52.11 H new ATOM 0 HB2 ASP A 99 13.014 2.012 6.349 1.00 25.50 H new ATOM 0 HB3 ASP A 99 14.145 3.341 6.184 1.00 25.50 H new ATOM 1022 N LYS A 100 14.398 3.727 3.102 1.00 32.34 N ATOM 1023 CA LYS A 100 15.414 3.332 2.134 1.00 13.53 C ATOM 1024 C LYS A 100 16.582 2.624 2.831 1.00 1.52 C ATOM 1025 O LYS A 100 17.170 3.146 3.781 1.00 33.45 O ATOM 1026 CB LYS A 100 15.912 4.544 1.346 1.00 53.03 C ATOM 1027 CG LYS A 100 16.202 4.232 -0.121 1.00 31.54 C ATOM 1028 CD LYS A 100 16.685 5.461 -0.880 1.00 10.30 C ATOM 1029 CE LYS A 100 15.927 6.720 -0.477 1.00 62.01 C ATOM 1030 NZ LYS A 100 14.477 6.649 -0.799 1.00 52.53 N ATOM 0 H LYS A 100 14.323 4.732 3.259 1.00 32.34 H new ATOM 0 HA LYS A 100 14.960 2.632 1.433 1.00 13.53 H new ATOM 0 HB2 LYS A 100 15.166 5.336 1.401 1.00 53.03 H new ATOM 0 HB3 LYS A 100 16.818 4.927 1.815 1.00 53.03 H new ATOM 0 HG2 LYS A 100 16.957 3.448 -0.183 1.00 31.54 H new ATOM 0 HG3 LYS A 100 15.300 3.844 -0.595 1.00 31.54 H new ATOM 0 HD2 LYS A 100 17.750 5.605 -0.695 1.00 10.30 H new ATOM 0 HD3 LYS A 100 16.567 5.295 -1.951 1.00 10.30 H new ATOM 0 HE2 LYS A 100 16.049 6.885 0.594 1.00 62.01 H new ATOM 0 HE3 LYS A 100 16.365 7.580 -0.984 1.00 62.01 H new ATOM 0 HZ1 LYS A 100 14.178 7.536 -1.251 1.00 52.53 H new ATOM 0 HZ2 LYS A 100 14.304 5.854 -1.447 1.00 52.53 H new ATOM 0 HZ3 LYS A 100 13.934 6.506 0.076 1.00 52.53 H new ATOM 1044 N ILE A 101 16.907 1.434 2.355 1.00 72.44 N ATOM 1045 CA ILE A 101 17.966 0.625 2.965 1.00 71.45 C ATOM 1046 C ILE A 101 19.356 1.190 2.627 1.00 22.13 C ATOM 1047 O ILE A 101 19.838 1.041 1.502 1.00 65.43 O ATOM 1048 CB ILE A 101 17.900 -0.860 2.515 1.00 0.24 C ATOM 1049 CG1 ILE A 101 16.504 -1.450 2.767 1.00 10.33 C ATOM 1050 CG2 ILE A 101 18.954 -1.690 3.245 1.00 70.10 C ATOM 1051 CD1 ILE A 101 16.349 -2.885 2.301 1.00 51.04 C ATOM 0 H ILE A 101 16.457 1.001 1.549 1.00 72.44 H new ATOM 0 HA ILE A 101 17.805 0.668 4.042 1.00 71.45 H new ATOM 0 HB ILE A 101 18.102 -0.893 1.444 1.00 0.24 H new ATOM 0 HG12 ILE A 101 16.286 -1.399 3.834 1.00 10.33 H new ATOM 0 HG13 ILE A 101 15.762 -0.832 2.261 1.00 10.33 H new ATOM 0 HG21 ILE A 101 18.892 -2.727 2.916 1.00 70.10 H new ATOM 0 HG22 ILE A 101 19.946 -1.297 3.021 1.00 70.10 H new ATOM 0 HG23 ILE A 101 18.778 -1.639 4.319 1.00 70.10 H new ATOM 0 HD11 ILE A 101 15.337 -3.229 2.514 1.00 51.04 H new ATOM 0 HD12 ILE A 101 16.533 -2.941 1.228 1.00 51.04 H new ATOM 0 HD13 ILE A 101 17.065 -3.517 2.826 1.00 51.04 H new ATOM 1063 N ILE A 102 19.984 1.847 3.602 1.00 14.31 N ATOM 1064 CA ILE A 102 21.344 2.372 3.432 1.00 5.34 C ATOM 1065 C ILE A 102 22.358 1.223 3.346 1.00 61.31 C ATOM 1066 O ILE A 102 23.394 1.331 2.684 1.00 23.53 O ATOM 1067 CB ILE A 102 21.731 3.331 4.589 1.00 2.10 C ATOM 1068 CG1 ILE A 102 20.672 4.437 4.747 1.00 42.33 C ATOM 1069 CG2 ILE A 102 23.118 3.935 4.359 1.00 24.43 C ATOM 1070 CD1 ILE A 102 20.453 5.275 3.500 1.00 11.24 C ATOM 0 H ILE A 102 19.575 2.030 4.518 1.00 14.31 H new ATOM 0 HA ILE A 102 21.363 2.937 2.500 1.00 5.34 H new ATOM 0 HB ILE A 102 21.767 2.754 5.513 1.00 2.10 H new ATOM 0 HG12 ILE A 102 19.725 3.979 5.034 1.00 42.33 H new ATOM 0 HG13 ILE A 102 20.969 5.094 5.565 1.00 42.33 H new ATOM 0 HG21 ILE A 102 23.365 4.603 5.184 1.00 24.43 H new ATOM 0 HG22 ILE A 102 23.858 3.137 4.304 1.00 24.43 H new ATOM 0 HG23 ILE A 102 23.120 4.496 3.425 1.00 24.43 H new ATOM 0 HD11 ILE A 102 19.692 6.030 3.698 1.00 11.24 H new ATOM 0 HD12 ILE A 102 21.386 5.765 3.222 1.00 11.24 H new ATOM 0 HD13 ILE A 102 20.123 4.633 2.683 1.00 11.24 H new ATOM 1082 N ASP A 103 22.038 0.131 4.040 1.00 55.12 N ATOM 1083 CA ASP A 103 22.777 -1.125 3.941 1.00 11.51 C ATOM 1084 C ASP A 103 24.193 -1.030 4.538 1.00 42.31 C ATOM 1085 O ASP A 103 24.695 0.048 4.857 1.00 71.11 O ATOM 1086 CB ASP A 103 22.818 -1.587 2.475 1.00 62.41 C ATOM 1087 CG ASP A 103 23.573 -2.886 2.287 1.00 43.11 C ATOM 1088 OD1 ASP A 103 23.204 -3.889 2.926 1.00 5.23 O ATOM 1089 OD2 ASP A 103 24.550 -2.900 1.517 1.00 43.33 O ATOM 0 H ASP A 103 21.253 0.094 4.691 1.00 55.12 H new ATOM 0 HA ASP A 103 22.249 -1.869 4.538 1.00 11.51 H new ATOM 0 HB2 ASP A 103 21.798 -1.709 2.109 1.00 62.41 H new ATOM 0 HB3 ASP A 103 23.284 -0.811 1.868 1.00 62.41 H new ATOM 1094 N VAL A 104 24.815 -2.187 4.713 1.00 11.33 N ATOM 1095 CA VAL A 104 26.185 -2.288 5.220 1.00 41.42 C ATOM 1096 C VAL A 104 27.229 -2.127 4.100 1.00 23.11 C ATOM 1097 O VAL A 104 28.433 -2.263 4.339 1.00 41.43 O ATOM 1098 CB VAL A 104 26.397 -3.658 5.911 1.00 74.41 C ATOM 1099 CG1 VAL A 104 25.651 -3.729 7.241 1.00 10.53 C ATOM 1100 CG2 VAL A 104 25.935 -4.782 4.984 1.00 52.42 C ATOM 0 H VAL A 104 24.386 -3.089 4.508 1.00 11.33 H new ATOM 0 HA VAL A 104 26.323 -1.477 5.936 1.00 41.42 H new ATOM 0 HB VAL A 104 27.461 -3.776 6.119 1.00 74.41 H new ATOM 0 HG11 VAL A 104 25.820 -4.703 7.701 1.00 10.53 H new ATOM 0 HG12 VAL A 104 26.016 -2.946 7.905 1.00 10.53 H new ATOM 0 HG13 VAL A 104 24.584 -3.590 7.068 1.00 10.53 H new ATOM 0 HG21 VAL A 104 26.086 -5.744 5.475 1.00 52.42 H new ATOM 0 HG22 VAL A 104 24.877 -4.654 4.756 1.00 52.42 H new ATOM 0 HG23 VAL A 104 26.512 -4.752 4.060 1.00 52.42 H new ATOM 1110 N SER A 105 26.754 -1.834 2.885 1.00 21.34 N ATOM 1111 CA SER A 105 27.605 -1.751 1.684 1.00 3.12 C ATOM 1112 C SER A 105 28.075 -3.150 1.260 1.00 33.50 C ATOM 1113 O SER A 105 27.773 -3.608 0.159 1.00 31.31 O ATOM 1114 CB SER A 105 28.808 -0.820 1.904 1.00 50.41 C ATOM 1115 OG SER A 105 28.394 0.487 2.286 1.00 11.54 O ATOM 0 H SER A 105 25.768 -1.647 2.702 1.00 21.34 H new ATOM 0 HA SER A 105 27.003 -1.325 0.881 1.00 3.12 H new ATOM 0 HB2 SER A 105 29.456 -1.237 2.675 1.00 50.41 H new ATOM 0 HB3 SER A 105 29.397 -0.763 0.989 1.00 50.41 H new ATOM 0 HG SER A 105 29.182 1.054 2.420 1.00 11.54 H new ATOM 1121 N TYR A 106 28.845 -3.803 2.134 1.00 30.45 N ATOM 1122 CA TYR A 106 29.188 -5.232 1.998 1.00 23.04 C ATOM 1123 C TYR A 106 30.206 -5.518 0.877 1.00 71.52 C ATOM 1124 O TYR A 106 30.905 -6.534 0.900 1.00 10.14 O ATOM 1125 CB TYR A 106 27.904 -6.058 1.792 1.00 52.23 C ATOM 1126 CG TYR A 106 28.031 -7.525 2.163 1.00 33.54 C ATOM 1127 CD1 TYR A 106 27.856 -7.938 3.481 1.00 65.14 C ATOM 1128 CD2 TYR A 106 28.315 -8.493 1.206 1.00 61.22 C ATOM 1129 CE1 TYR A 106 27.963 -9.268 3.833 1.00 4.12 C ATOM 1130 CE2 TYR A 106 28.423 -9.826 1.552 1.00 12.23 C ATOM 1131 CZ TYR A 106 28.244 -10.208 2.865 1.00 14.22 C ATOM 1132 OH TYR A 106 28.352 -11.536 3.213 1.00 54.43 O ATOM 0 H TYR A 106 29.251 -3.361 2.958 1.00 30.45 H new ATOM 0 HA TYR A 106 29.677 -5.529 2.926 1.00 23.04 H new ATOM 0 HB2 TYR A 106 27.103 -5.615 2.384 1.00 52.23 H new ATOM 0 HB3 TYR A 106 27.605 -5.986 0.746 1.00 52.23 H new ATOM 0 HD1 TYR A 106 27.633 -7.204 4.241 1.00 65.14 H new ATOM 0 HD2 TYR A 106 28.453 -8.198 0.176 1.00 61.22 H new ATOM 0 HE1 TYR A 106 27.827 -9.571 4.861 1.00 4.12 H new ATOM 0 HE2 TYR A 106 28.647 -10.566 0.798 1.00 12.23 H new ATOM 0 HH TYR A 106 28.552 -12.068 2.415 1.00 54.43 H new ATOM 1142 N VAL A 107 30.296 -4.616 -0.077 1.00 74.54 N ATOM 1143 CA VAL A 107 31.151 -4.793 -1.259 1.00 22.32 C ATOM 1144 C VAL A 107 32.541 -4.161 -1.067 1.00 52.14 C ATOM 1145 O VAL A 107 32.831 -3.577 -0.020 1.00 64.21 O ATOM 1146 CB VAL A 107 30.481 -4.178 -2.516 1.00 15.50 C ATOM 1147 CG1 VAL A 107 29.116 -4.816 -2.763 1.00 33.34 C ATOM 1148 CG2 VAL A 107 30.351 -2.660 -2.376 1.00 1.11 C ATOM 0 H VAL A 107 29.783 -3.734 -0.066 1.00 74.54 H new ATOM 0 HA VAL A 107 31.279 -5.867 -1.397 1.00 22.32 H new ATOM 0 HB VAL A 107 31.117 -4.385 -3.376 1.00 15.50 H new ATOM 0 HG11 VAL A 107 28.662 -4.372 -3.649 1.00 33.34 H new ATOM 0 HG12 VAL A 107 29.238 -5.888 -2.917 1.00 33.34 H new ATOM 0 HG13 VAL A 107 28.473 -4.644 -1.900 1.00 33.34 H new ATOM 0 HG21 VAL A 107 29.879 -2.251 -3.269 1.00 1.11 H new ATOM 0 HG22 VAL A 107 29.741 -2.426 -1.504 1.00 1.11 H new ATOM 0 HG23 VAL A 107 31.341 -2.220 -2.255 1.00 1.11 H new ATOM 1158 N ASP A 108 33.401 -4.292 -2.079 1.00 3.53 N ATOM 1159 CA ASP A 108 34.736 -3.679 -2.044 1.00 62.11 C ATOM 1160 C ASP A 108 34.646 -2.154 -2.153 1.00 41.44 C ATOM 1161 O ASP A 108 34.940 -1.423 -1.202 1.00 33.43 O ATOM 1162 CB ASP A 108 35.606 -4.222 -3.181 1.00 61.25 C ATOM 1163 CG ASP A 108 35.750 -5.729 -3.131 1.00 71.33 C ATOM 1164 OD1 ASP A 108 36.573 -6.230 -2.337 1.00 12.15 O ATOM 1165 OD2 ASP A 108 35.044 -6.421 -3.890 1.00 55.11 O ATOM 0 H ASP A 108 33.201 -4.815 -2.932 1.00 3.53 H new ATOM 0 HA ASP A 108 35.192 -3.935 -1.087 1.00 62.11 H new ATOM 0 HB2 ASP A 108 35.170 -3.933 -4.137 1.00 61.25 H new ATOM 0 HB3 ASP A 108 36.594 -3.764 -3.129 1.00 61.25 H new ATOM 1170 N GLU A 109 34.241 -1.684 -3.324 1.00 13.31 N ATOM 1171 CA GLU A 109 34.068 -0.252 -3.571 1.00 41.24 C ATOM 1172 C GLU A 109 32.747 0.244 -2.972 1.00 2.34 C ATOM 1173 O GLU A 109 31.699 0.222 -3.622 1.00 32.10 O ATOM 1174 CB GLU A 109 34.123 0.056 -5.077 1.00 74.11 C ATOM 1175 CG GLU A 109 34.088 1.547 -5.399 1.00 53.10 C ATOM 1176 CD GLU A 109 34.136 1.828 -6.892 1.00 54.40 C ATOM 1177 OE1 GLU A 109 35.214 1.657 -7.500 1.00 2.33 O ATOM 1178 OE2 GLU A 109 33.104 2.233 -7.464 1.00 54.32 O ATOM 0 H GLU A 109 34.024 -2.275 -4.126 1.00 13.31 H new ATOM 0 HA GLU A 109 34.889 0.275 -3.085 1.00 41.24 H new ATOM 0 HB2 GLU A 109 35.033 -0.376 -5.494 1.00 74.11 H new ATOM 0 HB3 GLU A 109 33.283 -0.433 -5.570 1.00 74.11 H new ATOM 0 HG2 GLU A 109 33.181 1.983 -4.981 1.00 53.10 H new ATOM 0 HG3 GLU A 109 34.931 2.039 -4.914 1.00 53.10 H new ATOM 1185 N THR A 110 32.798 0.657 -1.712 1.00 33.43 N ATOM 1186 CA THR A 110 31.608 1.140 -1.005 1.00 34.11 C ATOM 1187 C THR A 110 31.170 2.525 -1.507 1.00 22.13 C ATOM 1188 O THR A 110 31.404 3.544 -0.855 1.00 20.24 O ATOM 1189 CB THR A 110 31.848 1.193 0.524 1.00 42.34 C ATOM 1190 OG1 THR A 110 32.931 2.087 0.827 1.00 61.21 O ATOM 1191 CG2 THR A 110 32.170 -0.195 1.064 1.00 13.01 C ATOM 0 H THR A 110 33.651 0.669 -1.153 1.00 33.43 H new ATOM 0 HA THR A 110 30.808 0.429 -1.214 1.00 34.11 H new ATOM 0 HB THR A 110 30.937 1.556 0.999 1.00 42.34 H new ATOM 0 HG1 THR A 110 32.746 2.968 0.440 1.00 61.21 H new ATOM 0 HG21 THR A 110 32.335 -0.137 2.140 1.00 13.01 H new ATOM 0 HG22 THR A 110 31.336 -0.867 0.861 1.00 13.01 H new ATOM 0 HG23 THR A 110 33.069 -0.575 0.578 1.00 13.01 H new ATOM 1199 N GLY A 111 30.548 2.555 -2.685 1.00 75.21 N ATOM 1200 CA GLY A 111 30.097 3.811 -3.272 1.00 34.42 C ATOM 1201 C GLY A 111 28.976 3.626 -4.293 1.00 22.32 C ATOM 1202 O GLY A 111 29.114 2.852 -5.246 1.00 31.04 O ATOM 0 H GLY A 111 30.347 1.728 -3.247 1.00 75.21 H new ATOM 0 HA2 GLY A 111 29.752 4.473 -2.478 1.00 34.42 H new ATOM 0 HA3 GLY A 111 30.941 4.304 -3.754 1.00 34.42 H new ATOM 1206 N LYS A 112 27.869 4.335 -4.084 1.00 1.22 N ATOM 1207 CA LYS A 112 26.714 4.302 -4.994 1.00 73.11 C ATOM 1208 C LYS A 112 25.730 5.425 -4.630 1.00 64.03 C ATOM 1209 O LYS A 112 25.623 6.428 -5.336 1.00 4.54 O ATOM 1210 CB LYS A 112 26.009 2.933 -4.939 1.00 22.40 C ATOM 1211 CG LYS A 112 24.762 2.838 -5.822 1.00 73.11 C ATOM 1212 CD LYS A 112 25.076 3.113 -7.293 1.00 2.41 C ATOM 1213 CE LYS A 112 23.823 3.064 -8.165 1.00 31.43 C ATOM 1214 NZ LYS A 112 23.180 1.724 -8.146 1.00 73.44 N ATOM 0 H LYS A 112 27.742 4.950 -3.280 1.00 1.22 H new ATOM 0 HA LYS A 112 27.071 4.457 -6.012 1.00 73.11 H new ATOM 0 HB2 LYS A 112 26.715 2.160 -5.241 1.00 22.40 H new ATOM 0 HB3 LYS A 112 25.728 2.722 -3.907 1.00 22.40 H new ATOM 0 HG2 LYS A 112 24.324 1.844 -5.725 1.00 73.11 H new ATOM 0 HG3 LYS A 112 24.015 3.551 -5.472 1.00 73.11 H new ATOM 0 HD2 LYS A 112 25.545 4.093 -7.387 1.00 2.41 H new ATOM 0 HD3 LYS A 112 25.797 2.379 -7.653 1.00 2.41 H new ATOM 0 HE2 LYS A 112 23.111 3.812 -7.817 1.00 31.43 H new ATOM 0 HE3 LYS A 112 24.085 3.325 -9.190 1.00 31.43 H new ATOM 0 HZ1 LYS A 112 22.428 1.690 -8.864 1.00 73.44 H new ATOM 0 HZ2 LYS A 112 23.891 0.995 -8.355 1.00 73.44 H new ATOM 0 HZ3 LYS A 112 22.770 1.549 -7.206 1.00 73.44 H new ATOM 1228 N ASP A 113 25.029 5.251 -3.515 1.00 13.41 N ATOM 1229 CA ASP A 113 24.158 6.291 -2.965 1.00 65.34 C ATOM 1230 C ASP A 113 23.949 6.060 -1.465 1.00 3.04 C ATOM 1231 O ASP A 113 23.384 5.044 -1.054 1.00 22.04 O ATOM 1232 CB ASP A 113 22.806 6.327 -3.692 1.00 15.42 C ATOM 1233 CG ASP A 113 21.893 7.416 -3.145 1.00 14.23 C ATOM 1234 OD1 ASP A 113 22.177 8.609 -3.377 1.00 23.32 O ATOM 1235 OD2 ASP A 113 20.900 7.089 -2.462 1.00 12.15 O ATOM 0 H ASP A 113 25.046 4.391 -2.967 1.00 13.41 H new ATOM 0 HA ASP A 113 24.644 7.255 -3.115 1.00 65.34 H new ATOM 0 HB2 ASP A 113 22.971 6.493 -4.757 1.00 15.42 H new ATOM 0 HB3 ASP A 113 22.315 5.359 -3.593 1.00 15.42 H new ATOM 1240 N LEU A 114 24.435 6.994 -0.651 1.00 12.14 N ATOM 1241 CA LEU A 114 24.329 6.884 0.807 1.00 63.02 C ATOM 1242 C LEU A 114 23.446 7.997 1.378 1.00 11.12 C ATOM 1243 O LEU A 114 23.069 8.938 0.675 1.00 73.21 O ATOM 1244 CB LEU A 114 25.717 6.957 1.475 1.00 4.21 C ATOM 1245 CG LEU A 114 26.792 6.002 0.924 1.00 24.32 C ATOM 1246 CD1 LEU A 114 27.314 6.497 -0.423 1.00 33.53 C ATOM 1247 CD2 LEU A 114 27.938 5.846 1.922 1.00 2.10 C ATOM 0 H LEU A 114 24.907 7.838 -0.974 1.00 12.14 H new ATOM 0 HA LEU A 114 23.878 5.915 1.022 1.00 63.02 H new ATOM 0 HB2 LEU A 114 26.087 7.978 1.383 1.00 4.21 H new ATOM 0 HB3 LEU A 114 25.595 6.757 2.539 1.00 4.21 H new ATOM 0 HG LEU A 114 26.335 5.024 0.774 1.00 24.32 H new ATOM 0 HD11 LEU A 114 28.072 5.808 -0.795 1.00 33.53 H new ATOM 0 HD12 LEU A 114 26.491 6.549 -1.135 1.00 33.53 H new ATOM 0 HD13 LEU A 114 27.752 7.488 -0.302 1.00 33.53 H new ATOM 0 HD21 LEU A 114 28.687 5.167 1.513 1.00 2.10 H new ATOM 0 HD22 LEU A 114 28.393 6.819 2.108 1.00 2.10 H new ATOM 0 HD23 LEU A 114 27.553 5.440 2.858 1.00 2.10 H new ATOM 1259 N LEU A 115 23.123 7.882 2.659 1.00 3.13 N ATOM 1260 CA LEU A 115 22.372 8.914 3.360 1.00 73.12 C ATOM 1261 C LEU A 115 22.546 8.768 4.881 1.00 34.05 C ATOM 1262 O LEU A 115 22.469 7.657 5.409 1.00 62.31 O ATOM 1263 CB LEU A 115 20.882 8.835 2.997 1.00 33.23 C ATOM 1264 CG LEU A 115 20.010 9.968 3.559 1.00 54.40 C ATOM 1265 CD1 LEU A 115 20.292 11.286 2.836 1.00 20.24 C ATOM 1266 CD2 LEU A 115 18.532 9.607 3.468 1.00 42.35 C ATOM 0 H LEU A 115 23.371 7.079 3.237 1.00 3.13 H new ATOM 0 HA LEU A 115 22.760 9.885 3.052 1.00 73.12 H new ATOM 0 HB2 LEU A 115 20.789 8.831 1.911 1.00 33.23 H new ATOM 0 HB3 LEU A 115 20.488 7.884 3.354 1.00 33.23 H new ATOM 0 HG LEU A 115 20.265 10.100 4.611 1.00 54.40 H new ATOM 0 HD11 LEU A 115 19.662 12.072 3.253 1.00 20.24 H new ATOM 0 HD12 LEU A 115 21.340 11.555 2.965 1.00 20.24 H new ATOM 0 HD13 LEU A 115 20.075 11.172 1.774 1.00 20.24 H new ATOM 0 HD21 LEU A 115 17.933 10.423 3.871 1.00 42.35 H new ATOM 0 HD22 LEU A 115 18.262 9.439 2.425 1.00 42.35 H new ATOM 0 HD23 LEU A 115 18.343 8.700 4.042 1.00 42.35 H new ATOM 1278 N PRO A 116 22.806 9.879 5.604 1.00 64.22 N ATOM 1279 CA PRO A 116 22.853 9.869 7.075 1.00 30.14 C ATOM 1280 C PRO A 116 21.598 9.224 7.690 1.00 24.03 C ATOM 1281 O PRO A 116 20.487 9.736 7.529 1.00 13.23 O ATOM 1282 CB PRO A 116 22.926 11.359 7.436 1.00 54.40 C ATOM 1283 CG PRO A 116 23.553 12.007 6.247 1.00 34.42 C ATOM 1284 CD PRO A 116 23.091 11.219 5.050 1.00 25.54 C ATOM 0 HA PRO A 116 23.690 9.284 7.457 1.00 30.14 H new ATOM 0 HB2 PRO A 116 21.935 11.768 7.633 1.00 54.40 H new ATOM 0 HB3 PRO A 116 23.522 11.520 8.335 1.00 54.40 H new ATOM 0 HG2 PRO A 116 23.250 13.051 6.167 1.00 34.42 H new ATOM 0 HG3 PRO A 116 24.640 11.996 6.325 1.00 34.42 H new ATOM 0 HD2 PRO A 116 22.204 11.662 4.596 1.00 25.54 H new ATOM 0 HD3 PRO A 116 23.858 11.178 4.277 1.00 25.54 H new ATOM 1292 N VAL A 117 21.777 8.095 8.381 1.00 2.44 N ATOM 1293 CA VAL A 117 20.646 7.374 8.978 1.00 65.24 C ATOM 1294 C VAL A 117 19.818 8.284 9.903 1.00 72.21 C ATOM 1295 O VAL A 117 20.319 8.829 10.893 1.00 12.55 O ATOM 1296 CB VAL A 117 21.105 6.105 9.745 1.00 64.40 C ATOM 1297 CG1 VAL A 117 22.145 6.445 10.810 1.00 2.20 C ATOM 1298 CG2 VAL A 117 19.907 5.383 10.363 1.00 54.33 C ATOM 0 H VAL A 117 22.686 7.662 8.541 1.00 2.44 H new ATOM 0 HA VAL A 117 20.011 7.056 8.151 1.00 65.24 H new ATOM 0 HB VAL A 117 21.576 5.433 9.027 1.00 64.40 H new ATOM 0 HG11 VAL A 117 22.445 5.535 11.329 1.00 2.20 H new ATOM 0 HG12 VAL A 117 23.016 6.897 10.336 1.00 2.20 H new ATOM 0 HG13 VAL A 117 21.717 7.146 11.526 1.00 2.20 H new ATOM 0 HG21 VAL A 117 20.252 4.497 10.896 1.00 54.33 H new ATOM 0 HG22 VAL A 117 19.400 6.051 11.059 1.00 54.33 H new ATOM 0 HG23 VAL A 117 19.215 5.086 9.575 1.00 54.33 H new ATOM 1308 N VAL A 118 18.546 8.445 9.554 1.00 73.11 N ATOM 1309 CA VAL A 118 17.645 9.356 10.264 1.00 14.25 C ATOM 1310 C VAL A 118 17.338 8.875 11.693 1.00 50.53 C ATOM 1311 O VAL A 118 17.255 7.672 11.958 1.00 61.44 O ATOM 1312 CB VAL A 118 16.315 9.547 9.488 1.00 54.42 C ATOM 1313 CG1 VAL A 118 16.579 10.168 8.115 1.00 23.44 C ATOM 1314 CG2 VAL A 118 15.561 8.220 9.352 1.00 20.22 C ATOM 0 H VAL A 118 18.109 7.952 8.775 1.00 73.11 H new ATOM 0 HA VAL A 118 18.165 10.312 10.330 1.00 14.25 H new ATOM 0 HB VAL A 118 15.685 10.230 10.058 1.00 54.42 H new ATOM 0 HG11 VAL A 118 15.635 10.294 7.585 1.00 23.44 H new ATOM 0 HG12 VAL A 118 17.057 11.139 8.241 1.00 23.44 H new ATOM 0 HG13 VAL A 118 17.233 9.513 7.539 1.00 23.44 H new ATOM 0 HG21 VAL A 118 14.633 8.383 8.804 1.00 20.22 H new ATOM 0 HG22 VAL A 118 16.180 7.504 8.812 1.00 20.22 H new ATOM 0 HG23 VAL A 118 15.333 7.828 10.343 1.00 20.22 H new ATOM 1324 N GLU A 119 17.179 9.827 12.609 1.00 51.21 N ATOM 1325 CA GLU A 119 16.833 9.519 13.996 1.00 53.12 C ATOM 1326 C GLU A 119 15.361 9.099 14.120 1.00 4.35 C ATOM 1327 O GLU A 119 14.495 9.576 13.380 1.00 51.24 O ATOM 1328 CB GLU A 119 17.128 10.729 14.895 1.00 24.32 C ATOM 1329 CG GLU A 119 16.378 11.998 14.497 1.00 43.14 C ATOM 1330 CD GLU A 119 16.788 13.209 15.321 1.00 53.54 C ATOM 1331 OE1 GLU A 119 16.354 13.312 16.492 1.00 4.14 O ATOM 1332 OE2 GLU A 119 17.546 14.059 14.806 1.00 13.24 O ATOM 0 H GLU A 119 17.285 10.823 12.415 1.00 51.21 H new ATOM 0 HA GLU A 119 17.447 8.680 14.323 1.00 53.12 H new ATOM 0 HB2 GLU A 119 16.871 10.475 15.923 1.00 24.32 H new ATOM 0 HB3 GLU A 119 18.199 10.931 14.874 1.00 24.32 H new ATOM 0 HG2 GLU A 119 16.558 12.205 13.442 1.00 43.14 H new ATOM 0 HG3 GLU A 119 15.307 11.832 14.612 1.00 43.14 H new ATOM 1339 N ILE A 120 15.081 8.200 15.058 1.00 34.22 N ATOM 1340 CA ILE A 120 13.730 7.667 15.242 1.00 14.41 C ATOM 1341 C ILE A 120 12.851 8.617 16.068 1.00 41.40 C ATOM 1342 O ILE A 120 13.192 8.972 17.198 1.00 20.33 O ATOM 1343 CB ILE A 120 13.764 6.283 15.942 1.00 32.12 C ATOM 1344 CG1 ILE A 120 14.614 5.292 15.132 1.00 35.31 C ATOM 1345 CG2 ILE A 120 12.345 5.742 16.136 1.00 72.11 C ATOM 1346 CD1 ILE A 120 14.696 3.909 15.748 1.00 11.13 C ATOM 0 H ILE A 120 15.772 7.822 15.706 1.00 34.22 H new ATOM 0 HA ILE A 120 13.300 7.562 14.246 1.00 14.41 H new ATOM 0 HB ILE A 120 14.220 6.406 16.924 1.00 32.12 H new ATOM 0 HG12 ILE A 120 14.199 5.208 14.128 1.00 35.31 H new ATOM 0 HG13 ILE A 120 15.622 5.693 15.028 1.00 35.31 H new ATOM 0 HG21 ILE A 120 12.390 4.771 16.628 1.00 72.11 H new ATOM 0 HG22 ILE A 120 11.772 6.435 16.752 1.00 72.11 H new ATOM 0 HG23 ILE A 120 11.861 5.635 15.165 1.00 72.11 H new ATOM 0 HD11 ILE A 120 15.313 3.267 15.119 1.00 11.13 H new ATOM 0 HD12 ILE A 120 15.140 3.979 16.741 1.00 11.13 H new ATOM 0 HD13 ILE A 120 13.695 3.486 15.827 1.00 11.13 H new ATOM 1358 N ILE A 121 11.728 9.043 15.494 1.00 43.35 N ATOM 1359 CA ILE A 121 10.722 9.795 16.246 1.00 3.41 C ATOM 1360 C ILE A 121 9.959 8.850 17.188 1.00 11.34 C ATOM 1361 O ILE A 121 9.357 7.869 16.747 1.00 1.21 O ATOM 1362 CB ILE A 121 9.721 10.513 15.303 1.00 40.05 C ATOM 1363 CG1 ILE A 121 10.475 11.461 14.348 1.00 53.42 C ATOM 1364 CG2 ILE A 121 8.661 11.274 16.111 1.00 74.41 C ATOM 1365 CD1 ILE A 121 9.573 12.203 13.382 1.00 41.22 C ATOM 0 H ILE A 121 11.491 8.882 14.515 1.00 43.35 H new ATOM 0 HA ILE A 121 11.242 10.556 16.828 1.00 3.41 H new ATOM 0 HB ILE A 121 9.206 9.761 14.705 1.00 40.05 H new ATOM 0 HG12 ILE A 121 11.034 12.187 14.939 1.00 53.42 H new ATOM 0 HG13 ILE A 121 11.204 10.884 13.779 1.00 53.42 H new ATOM 0 HG21 ILE A 121 7.970 11.770 15.429 1.00 74.41 H new ATOM 0 HG22 ILE A 121 8.111 10.574 16.740 1.00 74.41 H new ATOM 0 HG23 ILE A 121 9.148 12.020 16.739 1.00 74.41 H new ATOM 0 HD11 ILE A 121 10.176 12.849 12.744 1.00 41.22 H new ATOM 0 HD12 ILE A 121 9.033 11.485 12.764 1.00 41.22 H new ATOM 0 HD13 ILE A 121 8.860 12.809 13.942 1.00 41.22 H new ATOM 1377 N ASN A 122 9.999 9.142 18.485 1.00 50.44 N ATOM 1378 CA ASN A 122 9.405 8.261 19.495 1.00 4.33 C ATOM 1379 C ASN A 122 7.883 8.151 19.335 1.00 23.43 C ATOM 1380 O ASN A 122 7.177 9.162 19.307 1.00 73.22 O ATOM 1381 CB ASN A 122 9.747 8.766 20.905 1.00 11.14 C ATOM 1382 CG ASN A 122 11.247 8.901 21.132 1.00 70.43 C ATOM 1383 OD1 ASN A 122 12.033 8.034 20.516 1.00 72.35 O flip ATOM 1384 ND2 ASN A 122 11.701 9.774 21.864 1.00 74.50 N flip ATOM 0 H ASN A 122 10.436 9.982 18.865 1.00 50.44 H new ATOM 0 HA ASN A 122 9.827 7.266 19.351 1.00 4.33 H new ATOM 0 HB2 ASN A 122 9.271 9.733 21.066 1.00 11.14 H new ATOM 0 HB3 ASN A 122 9.332 8.080 21.643 1.00 11.14 H new ATOM 0 HD21 ASN A 122 11.072 10.430 22.327 1.00 74.50 H new ATOM 0 HD22 ASN A 122 12.708 9.844 22.010 1.00 74.50 H new ATOM 1391 N SER A 123 7.389 6.918 19.216 1.00 42.45 N ATOM 1392 CA SER A 123 5.942 6.659 19.175 1.00 11.31 C ATOM 1393 C SER A 123 5.257 7.306 20.384 1.00 21.41 C ATOM 1394 O SER A 123 5.677 7.082 21.523 1.00 40.22 O ATOM 1395 CB SER A 123 5.663 5.148 19.164 1.00 32.03 C ATOM 1396 OG SER A 123 4.273 4.878 19.058 1.00 4.31 O ATOM 0 H SER A 123 7.967 6.080 19.146 1.00 42.45 H new ATOM 0 HA SER A 123 5.540 7.094 18.260 1.00 11.31 H new ATOM 0 HB2 SER A 123 6.190 4.685 18.329 1.00 32.03 H new ATOM 0 HB3 SER A 123 6.054 4.698 20.076 1.00 32.03 H new ATOM 0 HG SER A 123 4.128 3.909 19.052 1.00 4.31 H new ATOM 1402 N GLU A 124 4.211 8.095 20.120 1.00 14.24 N ATOM 1403 CA GLU A 124 3.582 8.965 21.132 1.00 44.10 C ATOM 1404 C GLU A 124 3.408 8.258 22.494 1.00 15.20 C ATOM 1405 O GLU A 124 2.417 7.561 22.726 1.00 51.14 O ATOM 1406 CB GLU A 124 2.222 9.475 20.613 1.00 20.34 C ATOM 1407 CG GLU A 124 1.760 10.807 21.213 1.00 71.44 C ATOM 1408 CD GLU A 124 1.560 10.764 22.721 1.00 51.11 C ATOM 1409 OE1 GLU A 124 0.525 10.236 23.173 1.00 43.44 O ATOM 1410 OE2 GLU A 124 2.438 11.267 23.460 1.00 43.12 O ATOM 0 H GLU A 124 3.773 8.152 19.201 1.00 14.24 H new ATOM 0 HA GLU A 124 4.251 9.809 21.298 1.00 44.10 H new ATOM 0 HB2 GLU A 124 2.280 9.582 19.530 1.00 20.34 H new ATOM 0 HB3 GLU A 124 1.465 8.719 20.818 1.00 20.34 H new ATOM 0 HG2 GLU A 124 2.494 11.576 20.975 1.00 71.44 H new ATOM 0 HG3 GLU A 124 0.824 11.103 20.740 1.00 71.44 H new ATOM 1417 N ALA A 125 4.410 8.425 23.367 1.00 51.44 N ATOM 1418 CA ALA A 125 4.408 7.865 24.732 1.00 10.44 C ATOM 1419 C ALA A 125 4.299 6.324 24.768 1.00 21.23 C ATOM 1420 O ALA A 125 4.286 5.722 25.845 1.00 12.33 O ATOM 1421 CB ALA A 125 3.299 8.502 25.556 1.00 55.33 C ATOM 0 H ALA A 125 5.253 8.956 23.148 1.00 51.44 H new ATOM 0 HA ALA A 125 5.377 8.107 25.169 1.00 10.44 H new ATOM 0 HB1 ALA A 125 3.306 8.082 26.562 1.00 55.33 H new ATOM 0 HB2 ALA A 125 3.459 9.579 25.611 1.00 55.33 H new ATOM 0 HB3 ALA A 125 2.336 8.302 25.086 1.00 55.33 H new ATOM 1427 N ALA A 126 4.257 5.691 23.596 1.00 13.50 N ATOM 1428 CA ALA A 126 4.111 4.232 23.498 1.00 43.22 C ATOM 1429 C ALA A 126 5.473 3.521 23.475 1.00 43.35 C ATOM 1430 O ALA A 126 5.545 2.293 23.442 1.00 1.21 O ATOM 1431 CB ALA A 126 3.299 3.873 22.257 1.00 52.01 C ATOM 0 H ALA A 126 4.322 6.165 22.695 1.00 13.50 H new ATOM 0 HA ALA A 126 3.582 3.888 24.387 1.00 43.22 H new ATOM 0 HB1 ALA A 126 3.195 2.790 22.191 1.00 52.01 H new ATOM 0 HB2 ALA A 126 2.311 4.329 22.324 1.00 52.01 H new ATOM 0 HB3 ALA A 126 3.810 4.243 21.368 1.00 52.01 H new ATOM 1437 N VAL A 127 6.551 4.299 23.485 1.00 42.11 N ATOM 1438 CA VAL A 127 7.909 3.740 23.489 1.00 51.23 C ATOM 1439 C VAL A 127 8.267 3.100 24.842 1.00 60.14 C ATOM 1440 O VAL A 127 8.596 3.788 25.812 1.00 75.32 O ATOM 1441 CB VAL A 127 8.973 4.808 23.116 1.00 13.40 C ATOM 1442 CG1 VAL A 127 8.945 5.091 21.617 1.00 31.05 C ATOM 1443 CG2 VAL A 127 8.759 6.097 23.913 1.00 31.45 C ATOM 0 H VAL A 127 6.516 5.318 23.491 1.00 42.11 H new ATOM 0 HA VAL A 127 7.917 2.960 22.728 1.00 51.23 H new ATOM 0 HB VAL A 127 9.955 4.412 23.374 1.00 13.40 H new ATOM 0 HG11 VAL A 127 9.697 5.842 21.374 1.00 31.05 H new ATOM 0 HG12 VAL A 127 9.159 4.173 21.069 1.00 31.05 H new ATOM 0 HG13 VAL A 127 7.959 5.461 21.335 1.00 31.05 H new ATOM 0 HG21 VAL A 127 9.517 6.828 23.633 1.00 31.45 H new ATOM 0 HG22 VAL A 127 7.769 6.499 23.696 1.00 31.45 H new ATOM 0 HG23 VAL A 127 8.838 5.883 24.979 1.00 31.45 H new ATOM 1453 N LEU A 128 8.187 1.775 24.904 1.00 55.41 N ATOM 1454 CA LEU A 128 8.587 1.027 26.102 1.00 42.43 C ATOM 1455 C LEU A 128 9.730 0.041 25.794 1.00 14.33 C ATOM 1456 O LEU A 128 9.507 -1.077 25.329 1.00 33.35 O ATOM 1457 CB LEU A 128 7.368 0.316 26.736 1.00 64.23 C ATOM 1458 CG LEU A 128 6.233 -0.103 25.773 1.00 75.34 C ATOM 1459 CD1 LEU A 128 6.657 -1.246 24.855 1.00 41.35 C ATOM 1460 CD2 LEU A 128 4.981 -0.481 26.560 1.00 63.02 C ATOM 0 H LEU A 128 7.849 1.191 24.139 1.00 55.41 H new ATOM 0 HA LEU A 128 8.971 1.738 26.833 1.00 42.43 H new ATOM 0 HB2 LEU A 128 7.724 -0.576 27.252 1.00 64.23 H new ATOM 0 HB3 LEU A 128 6.945 0.975 27.494 1.00 64.23 H new ATOM 0 HG LEU A 128 6.007 0.754 25.139 1.00 75.34 H new ATOM 0 HD11 LEU A 128 5.830 -1.509 24.195 1.00 41.35 H new ATOM 0 HD12 LEU A 128 7.513 -0.934 24.257 1.00 41.35 H new ATOM 0 HD13 LEU A 128 6.931 -2.113 25.456 1.00 41.35 H new ATOM 0 HD21 LEU A 128 4.191 -0.774 25.868 1.00 63.02 H new ATOM 0 HD22 LEU A 128 5.207 -1.314 27.226 1.00 63.02 H new ATOM 0 HD23 LEU A 128 4.649 0.374 27.149 1.00 63.02 H new ATOM 1472 N GLU A 129 10.966 0.484 26.020 1.00 34.02 N ATOM 1473 CA GLU A 129 12.147 -0.364 25.797 1.00 62.32 C ATOM 1474 C GLU A 129 12.256 -1.474 26.853 1.00 43.15 C ATOM 1475 O GLU A 129 11.617 -1.419 27.904 1.00 5.54 O ATOM 1476 CB GLU A 129 13.438 0.467 25.831 1.00 55.14 C ATOM 1477 CG GLU A 129 13.744 1.071 27.202 1.00 61.54 C ATOM 1478 CD GLU A 129 15.226 1.313 27.430 1.00 44.24 C ATOM 1479 OE1 GLU A 129 15.731 2.381 27.033 1.00 11.41 O ATOM 1480 OE2 GLU A 129 15.895 0.433 28.012 1.00 44.21 O ATOM 0 H GLU A 129 11.180 1.423 26.357 1.00 34.02 H new ATOM 0 HA GLU A 129 12.023 -0.815 24.813 1.00 62.32 H new ATOM 0 HB2 GLU A 129 14.274 -0.163 25.527 1.00 55.14 H new ATOM 0 HB3 GLU A 129 13.362 1.271 25.099 1.00 55.14 H new ATOM 0 HG2 GLU A 129 13.208 2.015 27.304 1.00 61.54 H new ATOM 0 HG3 GLU A 129 13.367 0.405 27.978 1.00 61.54 H new ATOM 1487 N HIS A 130 13.085 -2.475 26.566 1.00 23.13 N ATOM 1488 CA HIS A 130 13.369 -3.552 27.516 1.00 61.02 C ATOM 1489 C HIS A 130 14.882 -3.828 27.600 1.00 63.55 C ATOM 1490 O HIS A 130 15.442 -4.552 26.773 1.00 3.42 O ATOM 1491 CB HIS A 130 12.609 -4.828 27.129 1.00 64.20 C ATOM 1492 CG HIS A 130 11.116 -4.692 27.229 1.00 73.23 C ATOM 1493 ND1 HIS A 130 10.420 -4.898 28.398 1.00 11.31 N ATOM 1494 CD2 HIS A 130 10.186 -4.367 26.299 1.00 45.44 C ATOM 1495 CE1 HIS A 130 9.135 -4.710 28.187 1.00 51.22 C ATOM 1496 NE2 HIS A 130 8.961 -4.387 26.922 1.00 13.13 N ATOM 0 H HIS A 130 13.576 -2.564 25.676 1.00 23.13 H new ATOM 0 HA HIS A 130 13.028 -3.232 28.501 1.00 61.02 H new ATOM 0 HB2 HIS A 130 12.873 -5.103 26.108 1.00 64.20 H new ATOM 0 HB3 HIS A 130 12.935 -5.645 27.773 1.00 64.20 H new ATOM 0 HD2 HIS A 130 10.373 -4.135 25.261 1.00 45.44 H new ATOM 0 HE1 HIS A 130 8.354 -4.805 28.927 1.00 51.22 H new ATOM 0 HE2 HIS A 130 8.065 -4.185 26.478 1.00 13.13 H new ATOM 1505 N HIS A 131 15.545 -3.210 28.580 1.00 31.22 N ATOM 1506 CA HIS A 131 16.985 -3.406 28.806 1.00 41.21 C ATOM 1507 C HIS A 131 17.317 -3.380 30.309 1.00 34.42 C ATOM 1508 O HIS A 131 17.142 -2.359 30.973 1.00 32.14 O ATOM 1509 CB HIS A 131 17.805 -2.318 28.090 1.00 61.41 C ATOM 1510 CG HIS A 131 17.698 -2.347 26.592 1.00 4.50 C ATOM 1511 ND1 HIS A 131 18.385 -3.247 25.807 1.00 10.43 N ATOM 1512 CD2 HIS A 131 16.989 -1.573 25.734 1.00 65.04 C ATOM 1513 CE1 HIS A 131 18.102 -3.030 24.539 1.00 71.21 C ATOM 1514 NE2 HIS A 131 17.259 -2.022 24.463 1.00 22.02 N ATOM 0 H HIS A 131 15.106 -2.564 29.236 1.00 31.22 H new ATOM 0 HA HIS A 131 17.248 -4.382 28.399 1.00 41.21 H new ATOM 0 HB2 HIS A 131 17.479 -1.341 28.447 1.00 61.41 H new ATOM 0 HB3 HIS A 131 18.853 -2.427 28.370 1.00 61.41 H new ATOM 0 HD2 HIS A 131 16.334 -0.756 25.999 1.00 65.04 H new ATOM 0 HE1 HIS A 131 18.496 -3.586 23.701 1.00 71.21 H new ATOM 0 HE2 HIS A 131 16.870 -1.637 23.602 1.00 22.02 H new ATOM 1523 N HIS A 132 17.793 -4.504 30.844 1.00 21.55 N ATOM 1524 CA HIS A 132 18.202 -4.578 32.254 1.00 54.05 C ATOM 1525 C HIS A 132 19.703 -4.867 32.393 1.00 34.44 C ATOM 1526 O HIS A 132 20.235 -5.797 31.779 1.00 71.12 O ATOM 1527 CB HIS A 132 17.399 -5.651 33.004 1.00 53.12 C ATOM 1528 CG HIS A 132 15.963 -5.287 33.232 1.00 53.32 C ATOM 1529 ND1 HIS A 132 14.935 -6.195 33.147 1.00 2.04 N ATOM 1530 CD2 HIS A 132 15.392 -4.112 33.585 1.00 63.43 C ATOM 1531 CE1 HIS A 132 13.797 -5.601 33.432 1.00 14.14 C ATOM 1532 NE2 HIS A 132 14.045 -4.339 33.701 1.00 60.24 N ATOM 0 H HIS A 132 17.906 -5.376 30.327 1.00 21.55 H new ATOM 0 HA HIS A 132 17.996 -3.604 32.697 1.00 54.05 H new ATOM 0 HB2 HIS A 132 17.442 -6.583 32.441 1.00 53.12 H new ATOM 0 HB3 HIS A 132 17.873 -5.839 33.967 1.00 53.12 H new ATOM 0 HD2 HIS A 132 15.901 -3.173 33.745 1.00 63.43 H new ATOM 0 HE1 HIS A 132 12.824 -6.070 33.443 1.00 14.14 H new ATOM 0 HE2 HIS A 132 13.347 -3.640 33.955 1.00 60.24 H new ATOM 1541 N HIS A 133 20.382 -4.062 33.204 1.00 50.04 N ATOM 1542 CA HIS A 133 21.808 -4.259 33.484 1.00 15.13 C ATOM 1543 C HIS A 133 22.015 -4.994 34.818 1.00 13.45 C ATOM 1544 O HIS A 133 22.007 -4.385 35.884 1.00 73.41 O ATOM 1545 CB HIS A 133 22.555 -2.912 33.474 1.00 10.03 C ATOM 1546 CG HIS A 133 21.853 -1.797 34.201 1.00 52.14 C ATOM 1547 ND1 HIS A 133 21.618 -1.599 35.521 1.00 53.25 N flip ATOM 1548 CD2 HIS A 133 21.311 -0.706 33.558 1.00 23.15 C flip ATOM 1549 CE1 HIS A 133 20.949 -0.409 35.642 1.00 14.42 C flip ATOM 1550 NE2 HIS A 133 20.777 0.108 34.445 1.00 5.31 N flip ATOM 0 H HIS A 133 19.969 -3.262 33.683 1.00 50.04 H new ATOM 0 HA HIS A 133 22.224 -4.884 32.694 1.00 15.13 H new ATOM 0 HB2 HIS A 133 23.539 -3.055 33.920 1.00 10.03 H new ATOM 0 HB3 HIS A 133 22.715 -2.609 32.439 1.00 10.03 H new ATOM 0 HD1 HIS A 133 21.889 -2.220 36.283 1.00 53.25 H new ATOM 0 HD2 HIS A 133 21.322 -0.543 32.490 1.00 23.15 H new ATOM 0 HE1 HIS A 133 20.617 0.033 36.570 1.00 14.42 H new ATOM 1559 N HIS A 134 22.178 -6.313 34.751 1.00 72.42 N ATOM 1560 CA HIS A 134 22.378 -7.131 35.954 1.00 43.11 C ATOM 1561 C HIS A 134 23.864 -7.493 36.124 1.00 35.21 C ATOM 1562 O HIS A 134 24.453 -8.125 35.246 1.00 43.34 O ATOM 1563 CB HIS A 134 21.526 -8.407 35.868 1.00 43.42 C ATOM 1564 CG HIS A 134 21.404 -9.147 37.171 1.00 2.35 C ATOM 1565 ND1 HIS A 134 22.361 -10.021 37.641 1.00 0.31 N ATOM 1566 CD2 HIS A 134 20.429 -9.130 38.110 1.00 74.34 C ATOM 1567 CE1 HIS A 134 21.981 -10.506 38.807 1.00 34.11 C ATOM 1568 NE2 HIS A 134 20.813 -9.982 39.114 1.00 55.34 N ATOM 0 H HIS A 134 22.176 -6.842 33.879 1.00 72.42 H new ATOM 0 HA HIS A 134 22.065 -6.553 36.823 1.00 43.11 H new ATOM 0 HB2 HIS A 134 20.529 -8.143 35.517 1.00 43.42 H new ATOM 0 HB3 HIS A 134 21.961 -9.073 35.123 1.00 43.42 H new ATOM 0 HD2 HIS A 134 19.517 -8.552 38.075 1.00 74.34 H new ATOM 0 HE1 HIS A 134 22.534 -11.213 39.408 1.00 34.11 H new ATOM 0 HE2 HIS A 134 20.280 -10.178 39.961 1.00 55.34 H new ATOM 1577 N HIS A 135 24.450 -7.088 37.257 1.00 1.32 N ATOM 1578 CA HIS A 135 25.874 -7.341 37.567 1.00 52.24 C ATOM 1579 C HIS A 135 26.820 -6.482 36.691 1.00 22.12 C ATOM 1580 O HIS A 135 27.250 -6.953 35.616 1.00 37.50 O ATOM 1581 CB HIS A 135 26.202 -8.840 37.417 1.00 2.43 C ATOM 1582 CG HIS A 135 27.557 -9.235 37.930 1.00 41.22 C ATOM 1583 ND1 HIS A 135 27.752 -9.805 39.169 1.00 42.35 N ATOM 1584 CD2 HIS A 135 28.787 -9.160 37.363 1.00 73.03 C ATOM 1585 CE1 HIS A 135 29.029 -10.064 39.341 1.00 44.22 C ATOM 1586 NE2 HIS A 135 29.680 -9.684 38.264 1.00 52.31 N ATOM 1587 OXT HIS A 135 27.137 -5.338 37.091 1.00 37.50 O ATOM 0 H HIS A 135 23.956 -6.576 37.988 1.00 1.32 H new ATOM 0 HA HIS A 135 26.040 -7.048 38.604 1.00 52.24 H new ATOM 0 HB2 HIS A 135 25.444 -9.419 37.945 1.00 2.43 H new ATOM 0 HB3 HIS A 135 26.133 -9.110 36.363 1.00 2.43 H new ATOM 0 HD2 HIS A 135 29.020 -8.763 36.386 1.00 73.03 H new ATOM 0 HE1 HIS A 135 29.469 -10.513 40.219 1.00 44.22 H new ATOM 0 HE2 HIS A 135 30.687 -9.765 38.121 1.00 52.31 H new TER 1596 HIS A 135