USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 793 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 70 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.63) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 63 GLN : amide:sc= 1.2 K(o=2.5,f=-3.7) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.196 K(o=2.5,f=-3.2!) USER MOD Set 2.3: A 84 LYS NZ :NH3+ 145:sc= 1.08 (180deg=0) USER MOD Set 3.1: A 62 SER OG : rot 180:sc= 0.0718 USER MOD Set 3.2: A 64 ASN : amide:sc= -0.0321 K(o=0.04,f=-2.1!) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0.00325 USER MOD Set 4.2: A 38 GLN : amide:sc= -0.0343 X(o=-0.031,f=-0.038) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.419 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 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 78:sc= 0.99 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.597 F(o=-2.1,f=-0.6) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0.634 (180deg=0.381) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 26 TYR OH : rot -111:sc= 0.267 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 40:sc= 0.418 USER MOD Single : A 36 SER OG : rot -33:sc= 0.28 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -144:sc= -0.698 (180deg=-1.08) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0.374 (180deg=0.319) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.153 (180deg=0.0977) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 52:sc= 0.00473 USER MOD Single : A 92 THR OG1 : rot 88:sc= 0.57 USER MOD Single : A 93 GLN : amide:sc= 0.00823 X(o=0.0082,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 79:sc= 0.566 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 3.957 2.154 12.840 1.00 65.04 N ATOM 21 CA GLY A 2 4.508 2.615 11.565 1.00 42.15 C ATOM 22 C GLY A 2 3.436 3.199 10.651 1.00 10.13 C ATOM 23 O GLY A 2 2.233 3.038 10.917 1.00 30.51 O ATOM 0 HA2 GLY A 2 5.273 3.369 11.753 1.00 42.15 H new ATOM 0 HA3 GLY A 2 4.998 1.782 11.061 1.00 42.15 H new ATOM 27 N LYS A 3 3.865 3.867 9.568 1.00 74.41 N ATOM 28 CA LYS A 3 2.958 4.513 8.603 1.00 55.41 C ATOM 29 C LYS A 3 3.046 3.796 7.248 1.00 53.24 C ATOM 30 O LYS A 3 4.139 3.494 6.769 1.00 50.12 O ATOM 31 CB LYS A 3 3.300 6.019 8.451 1.00 41.52 C ATOM 32 CG LYS A 3 2.344 6.789 7.503 1.00 13.31 C ATOM 33 CD LYS A 3 2.714 8.281 7.336 1.00 33.33 C ATOM 34 CE LYS A 3 2.551 9.096 8.628 1.00 45.13 C ATOM 35 NZ LYS A 3 2.858 10.541 8.429 1.00 44.32 N ATOM 0 H LYS A 3 4.852 3.975 9.336 1.00 74.41 H new ATOM 0 HA LYS A 3 1.936 4.439 8.975 1.00 55.41 H new ATOM 0 HB2 LYS A 3 3.276 6.488 9.435 1.00 41.52 H new ATOM 0 HB3 LYS A 3 4.320 6.114 8.078 1.00 41.52 H new ATOM 0 HG2 LYS A 3 2.351 6.309 6.524 1.00 13.31 H new ATOM 0 HG3 LYS A 3 1.327 6.716 7.887 1.00 13.31 H new ATOM 0 HD2 LYS A 3 3.747 8.356 6.995 1.00 33.33 H new ATOM 0 HD3 LYS A 3 2.089 8.718 6.558 1.00 33.33 H new ATOM 0 HE2 LYS A 3 1.530 8.991 8.994 1.00 45.13 H new ATOM 0 HE3 LYS A 3 3.209 8.690 9.396 1.00 45.13 H new ATOM 0 HZ1 LYS A 3 2.734 11.049 9.328 1.00 44.32 H new ATOM 0 HZ2 LYS A 3 3.841 10.646 8.105 1.00 44.32 H new ATOM 0 HZ3 LYS A 3 2.214 10.938 7.715 1.00 44.32 H new ATOM 49 N VAL A 4 1.879 3.524 6.645 1.00 64.30 N ATOM 50 CA VAL A 4 1.758 2.841 5.346 1.00 34.20 C ATOM 51 C VAL A 4 1.205 3.820 4.294 1.00 11.24 C ATOM 52 O VAL A 4 0.424 4.714 4.621 1.00 41.04 O ATOM 53 CB VAL A 4 0.801 1.586 5.442 1.00 64.13 C ATOM 54 CG1 VAL A 4 0.830 0.764 4.133 1.00 45.02 C ATOM 55 CG2 VAL A 4 1.144 0.697 6.665 1.00 52.42 C ATOM 0 H VAL A 4 0.978 3.776 7.052 1.00 64.30 H new ATOM 0 HA VAL A 4 2.750 2.497 5.054 1.00 34.20 H new ATOM 0 HB VAL A 4 -0.213 1.960 5.584 1.00 64.13 H new ATOM 0 HG11 VAL A 4 0.163 -0.093 4.227 1.00 45.02 H new ATOM 0 HG12 VAL A 4 0.502 1.390 3.303 1.00 45.02 H new ATOM 0 HG13 VAL A 4 1.845 0.415 3.945 1.00 45.02 H new ATOM 0 HG21 VAL A 4 0.465 -0.155 6.697 1.00 52.42 H new ATOM 0 HG22 VAL A 4 2.170 0.340 6.579 1.00 52.42 H new ATOM 0 HG23 VAL A 4 1.038 1.280 7.580 1.00 52.42 H new ATOM 65 N LEU A 5 1.640 3.655 3.040 1.00 62.33 N ATOM 66 CA LEU A 5 1.047 4.319 1.877 1.00 24.12 C ATOM 67 C LEU A 5 0.176 3.287 1.147 1.00 51.04 C ATOM 68 O LEU A 5 0.698 2.348 0.532 1.00 72.20 O ATOM 69 CB LEU A 5 2.156 4.870 0.944 1.00 33.40 C ATOM 70 CG LEU A 5 1.660 5.654 -0.318 1.00 64.22 C ATOM 71 CD1 LEU A 5 0.883 6.935 0.068 1.00 31.01 C ATOM 72 CD2 LEU A 5 2.832 5.968 -1.274 1.00 51.52 C ATOM 0 H LEU A 5 2.425 3.048 2.803 1.00 62.33 H new ATOM 0 HA LEU A 5 0.438 5.168 2.189 1.00 24.12 H new ATOM 0 HB2 LEU A 5 2.801 5.528 1.527 1.00 33.40 H new ATOM 0 HB3 LEU A 5 2.772 4.035 0.610 1.00 33.40 H new ATOM 0 HG LEU A 5 0.962 5.007 -0.850 1.00 64.22 H new ATOM 0 HD11 LEU A 5 0.557 7.449 -0.836 1.00 31.01 H new ATOM 0 HD12 LEU A 5 0.013 6.666 0.667 1.00 31.01 H new ATOM 0 HD13 LEU A 5 1.531 7.594 0.646 1.00 31.01 H new ATOM 0 HD21 LEU A 5 2.458 6.513 -2.141 1.00 51.52 H new ATOM 0 HD22 LEU A 5 3.572 6.577 -0.755 1.00 51.52 H new ATOM 0 HD23 LEU A 5 3.294 5.037 -1.602 1.00 51.52 H new ATOM 84 N LEU A 6 -1.145 3.441 1.258 1.00 11.52 N ATOM 85 CA LEU A 6 -2.121 2.517 0.668 1.00 50.41 C ATOM 86 C LEU A 6 -2.372 2.938 -0.794 1.00 32.42 C ATOM 87 O LEU A 6 -3.170 3.841 -1.062 1.00 21.21 O ATOM 88 CB LEU A 6 -3.431 2.531 1.519 1.00 13.22 C ATOM 89 CG LEU A 6 -4.576 1.557 1.075 1.00 15.24 C ATOM 90 CD1 LEU A 6 -4.121 0.082 1.113 1.00 41.00 C ATOM 91 CD2 LEU A 6 -5.856 1.781 1.923 1.00 61.14 C ATOM 0 H LEU A 6 -1.573 4.216 1.764 1.00 11.52 H new ATOM 0 HA LEU A 6 -1.744 1.494 0.670 1.00 50.41 H new ATOM 0 HB2 LEU A 6 -3.168 2.297 2.551 1.00 13.22 H new ATOM 0 HB3 LEU A 6 -3.828 3.546 1.514 1.00 13.22 H new ATOM 0 HG LEU A 6 -4.819 1.787 0.038 1.00 15.24 H new ATOM 0 HD11 LEU A 6 -4.943 -0.561 0.798 1.00 41.00 H new ATOM 0 HD12 LEU A 6 -3.275 -0.055 0.440 1.00 41.00 H new ATOM 0 HD13 LEU A 6 -3.823 -0.181 2.128 1.00 41.00 H new ATOM 0 HD21 LEU A 6 -6.635 1.093 1.595 1.00 61.14 H new ATOM 0 HD22 LEU A 6 -5.632 1.601 2.974 1.00 61.14 H new ATOM 0 HD23 LEU A 6 -6.201 2.807 1.796 1.00 61.14 H new ATOM 103 N VAL A 7 -1.648 2.295 -1.726 1.00 62.41 N ATOM 104 CA VAL A 7 -1.684 2.627 -3.160 1.00 55.33 C ATOM 105 C VAL A 7 -2.794 1.827 -3.850 1.00 42.53 C ATOM 106 O VAL A 7 -2.756 0.591 -3.907 1.00 54.03 O ATOM 107 CB VAL A 7 -0.303 2.327 -3.854 1.00 71.42 C ATOM 108 CG1 VAL A 7 -0.364 2.578 -5.382 1.00 20.43 C ATOM 109 CG2 VAL A 7 0.820 3.151 -3.196 1.00 1.43 C ATOM 0 H VAL A 7 -1.017 1.525 -1.504 1.00 62.41 H new ATOM 0 HA VAL A 7 -1.886 3.694 -3.254 1.00 55.33 H new ATOM 0 HB VAL A 7 -0.080 1.269 -3.713 1.00 71.42 H new ATOM 0 HG11 VAL A 7 0.608 2.360 -5.826 1.00 20.43 H new ATOM 0 HG12 VAL A 7 -1.120 1.931 -5.827 1.00 20.43 H new ATOM 0 HG13 VAL A 7 -0.623 3.620 -5.569 1.00 20.43 H new ATOM 0 HG21 VAL A 7 1.768 2.932 -3.687 1.00 1.43 H new ATOM 0 HG22 VAL A 7 0.597 4.213 -3.295 1.00 1.43 H new ATOM 0 HG23 VAL A 7 0.891 2.892 -2.140 1.00 1.43 H new ATOM 119 N ILE A 8 -3.789 2.564 -4.345 1.00 54.54 N ATOM 120 CA ILE A 8 -5.003 2.026 -4.969 1.00 3.21 C ATOM 121 C ILE A 8 -5.150 2.660 -6.368 1.00 14.04 C ATOM 122 O ILE A 8 -4.728 3.806 -6.584 1.00 33.54 O ATOM 123 CB ILE A 8 -6.269 2.371 -4.090 1.00 15.04 C ATOM 124 CG1 ILE A 8 -5.983 2.109 -2.578 1.00 60.44 C ATOM 125 CG2 ILE A 8 -7.526 1.587 -4.560 1.00 44.01 C ATOM 126 CD1 ILE A 8 -7.023 2.656 -1.638 1.00 2.23 C ATOM 0 H ILE A 8 -3.774 3.584 -4.323 1.00 54.54 H new ATOM 0 HA ILE A 8 -4.927 0.942 -5.051 1.00 3.21 H new ATOM 0 HB ILE A 8 -6.479 3.433 -4.221 1.00 15.04 H new ATOM 0 HG12 ILE A 8 -5.898 1.034 -2.419 1.00 60.44 H new ATOM 0 HG13 ILE A 8 -5.017 2.546 -2.324 1.00 60.44 H new ATOM 0 HG21 ILE A 8 -8.376 1.851 -3.931 1.00 44.01 H new ATOM 0 HG22 ILE A 8 -7.748 1.843 -5.596 1.00 44.01 H new ATOM 0 HG23 ILE A 8 -7.337 0.516 -4.483 1.00 44.01 H new ATOM 0 HD11 ILE A 8 -6.741 2.427 -0.610 1.00 2.23 H new ATOM 0 HD12 ILE A 8 -7.094 3.737 -1.763 1.00 2.23 H new ATOM 0 HD13 ILE A 8 -7.989 2.201 -1.859 1.00 2.23 H new ATOM 138 N SER A 9 -5.738 1.912 -7.305 1.00 0.10 N ATOM 139 CA SER A 9 -6.022 2.394 -8.659 1.00 50.00 C ATOM 140 C SER A 9 -7.238 1.646 -9.209 1.00 42.14 C ATOM 141 O SER A 9 -7.529 0.519 -8.784 1.00 60.02 O ATOM 142 CB SER A 9 -4.788 2.196 -9.572 1.00 11.40 C ATOM 143 OG SER A 9 -4.980 2.730 -10.865 1.00 73.05 O ATOM 0 H SER A 9 -6.032 0.949 -7.144 1.00 0.10 H new ATOM 0 HA SER A 9 -6.243 3.461 -8.631 1.00 50.00 H new ATOM 0 HB2 SER A 9 -3.920 2.669 -9.112 1.00 11.40 H new ATOM 0 HB3 SER A 9 -4.566 1.132 -9.651 1.00 11.40 H new ATOM 0 HG SER A 9 -4.174 2.582 -11.403 1.00 73.05 H new ATOM 149 N THR A 10 -7.944 2.290 -10.149 1.00 20.34 N ATOM 150 CA THR A 10 -9.104 1.702 -10.852 1.00 0.32 C ATOM 151 C THR A 10 -8.638 0.609 -11.868 1.00 5.55 C ATOM 152 O THR A 10 -9.460 -0.086 -12.470 1.00 54.12 O ATOM 153 CB THR A 10 -9.906 2.843 -11.581 1.00 12.25 C ATOM 154 OG1 THR A 10 -10.037 3.976 -10.705 1.00 72.01 O ATOM 155 CG2 THR A 10 -11.318 2.415 -12.045 1.00 32.54 C ATOM 0 H THR A 10 -7.728 3.241 -10.448 1.00 20.34 H new ATOM 0 HA THR A 10 -9.757 1.219 -10.125 1.00 0.32 H new ATOM 0 HB THR A 10 -9.334 3.091 -12.475 1.00 12.25 H new ATOM 0 HG1 THR A 10 -10.535 4.686 -11.161 1.00 72.01 H new ATOM 0 HG21 THR A 10 -11.809 3.254 -12.538 1.00 32.54 H new ATOM 0 HG22 THR A 10 -11.235 1.582 -12.743 1.00 32.54 H new ATOM 0 HG23 THR A 10 -11.907 2.107 -11.181 1.00 32.54 H new ATOM 163 N ASP A 11 -7.304 0.446 -12.009 1.00 72.14 N ATOM 164 CA ASP A 11 -6.688 -0.483 -12.960 1.00 72.50 C ATOM 165 C ASP A 11 -5.494 -1.213 -12.303 1.00 30.02 C ATOM 166 O ASP A 11 -4.430 -0.614 -12.075 1.00 31.15 O ATOM 167 CB ASP A 11 -6.237 0.286 -14.216 1.00 44.44 C ATOM 168 CG ASP A 11 -5.624 -0.623 -15.290 1.00 52.01 C ATOM 169 OD1 ASP A 11 -6.363 -1.411 -15.911 1.00 64.41 O ATOM 170 OD2 ASP A 11 -4.406 -0.556 -15.507 1.00 51.12 O ATOM 0 H ASP A 11 -6.623 0.966 -11.455 1.00 72.14 H new ATOM 0 HA ASP A 11 -7.421 -1.234 -13.254 1.00 72.50 H new ATOM 0 HB2 ASP A 11 -7.092 0.813 -14.639 1.00 44.44 H new ATOM 0 HB3 ASP A 11 -5.507 1.043 -13.929 1.00 44.44 H new ATOM 175 N THR A 12 -5.702 -2.513 -12.015 1.00 71.22 N ATOM 176 CA THR A 12 -4.714 -3.419 -11.384 1.00 1.34 C ATOM 177 C THR A 12 -3.414 -3.574 -12.232 1.00 72.30 C ATOM 178 O THR A 12 -2.354 -3.922 -11.699 1.00 41.51 O ATOM 179 CB THR A 12 -5.386 -4.819 -11.128 1.00 20.31 C ATOM 180 OG1 THR A 12 -6.592 -4.628 -10.363 1.00 33.42 O ATOM 181 CG2 THR A 12 -4.477 -5.809 -10.374 1.00 52.23 C ATOM 0 H THR A 12 -6.587 -2.978 -12.220 1.00 71.22 H new ATOM 0 HA THR A 12 -4.408 -2.976 -10.436 1.00 1.34 H new ATOM 0 HB THR A 12 -5.591 -5.252 -12.107 1.00 20.31 H new ATOM 0 HG1 THR A 12 -7.017 -5.496 -10.201 1.00 33.42 H new ATOM 0 HG21 THR A 12 -5.005 -6.752 -10.233 1.00 52.23 H new ATOM 0 HG22 THR A 12 -3.570 -5.984 -10.953 1.00 52.23 H new ATOM 0 HG23 THR A 12 -4.212 -5.392 -9.402 1.00 52.23 H new ATOM 189 N ASN A 13 -3.509 -3.274 -13.544 1.00 62.04 N ATOM 190 CA ASN A 13 -2.359 -3.303 -14.477 1.00 14.31 C ATOM 191 C ASN A 13 -1.396 -2.125 -14.199 1.00 45.42 C ATOM 192 O ASN A 13 -0.175 -2.291 -14.325 1.00 14.42 O ATOM 193 CB ASN A 13 -2.869 -3.334 -15.951 1.00 15.00 C ATOM 194 CG ASN A 13 -1.790 -3.058 -17.013 1.00 61.50 C ATOM 195 OD1 ASN A 13 -1.581 -1.914 -17.420 1.00 23.22 O ATOM 196 ND2 ASN A 13 -1.097 -4.091 -17.467 1.00 5.32 N ATOM 0 H ASN A 13 -4.386 -3.004 -13.989 1.00 62.04 H new ATOM 0 HA ASN A 13 -1.783 -4.214 -14.315 1.00 14.31 H new ATOM 0 HB2 ASN A 13 -3.311 -4.311 -16.147 1.00 15.00 H new ATOM 0 HB3 ASN A 13 -3.664 -2.597 -16.061 1.00 15.00 H new ATOM 0 HD21 ASN A 13 -0.371 -3.949 -18.170 1.00 5.32 H new ATOM 0 HD22 ASN A 13 -1.289 -5.029 -17.114 1.00 5.32 H new ATOM 203 N ILE A 14 -1.939 -0.950 -13.782 1.00 51.40 N ATOM 204 CA ILE A 14 -1.099 0.189 -13.343 1.00 42.04 C ATOM 205 C ILE A 14 -0.406 -0.189 -12.016 1.00 60.54 C ATOM 206 O ILE A 14 0.815 -0.063 -11.888 1.00 42.40 O ATOM 207 CB ILE A 14 -1.920 1.532 -13.160 1.00 62.21 C ATOM 208 CG1 ILE A 14 -2.616 1.989 -14.487 1.00 3.11 C ATOM 209 CG2 ILE A 14 -1.024 2.664 -12.616 1.00 13.15 C ATOM 210 CD1 ILE A 14 -1.693 2.211 -15.686 1.00 54.41 C ATOM 0 H ILE A 14 -2.942 -0.771 -13.742 1.00 51.40 H new ATOM 0 HA ILE A 14 -0.365 0.380 -14.126 1.00 42.04 H new ATOM 0 HB ILE A 14 -2.702 1.319 -12.431 1.00 62.21 H new ATOM 0 HG12 ILE A 14 -3.360 1.241 -14.760 1.00 3.11 H new ATOM 0 HG13 ILE A 14 -3.154 2.917 -14.291 1.00 3.11 H new ATOM 0 HG21 ILE A 14 -1.615 3.573 -12.501 1.00 13.15 H new ATOM 0 HG22 ILE A 14 -0.616 2.372 -11.648 1.00 13.15 H new ATOM 0 HG23 ILE A 14 -0.207 2.849 -13.314 1.00 13.15 H new ATOM 0 HD11 ILE A 14 -2.284 2.525 -16.547 1.00 54.41 H new ATOM 0 HD12 ILE A 14 -0.964 2.984 -15.445 1.00 54.41 H new ATOM 0 HD13 ILE A 14 -1.173 1.282 -15.922 1.00 54.41 H new ATOM 222 N ILE A 15 -1.222 -0.714 -11.072 1.00 21.44 N ATOM 223 CA ILE A 15 -0.782 -1.172 -9.733 1.00 32.21 C ATOM 224 C ILE A 15 0.392 -2.173 -9.837 1.00 14.11 C ATOM 225 O ILE A 15 1.387 -2.049 -9.119 1.00 63.41 O ATOM 226 CB ILE A 15 -2.001 -1.823 -8.949 1.00 20.51 C ATOM 227 CG1 ILE A 15 -3.073 -0.734 -8.623 1.00 23.22 C ATOM 228 CG2 ILE A 15 -1.562 -2.581 -7.670 1.00 3.51 C ATOM 229 CD1 ILE A 15 -4.288 -1.223 -7.850 1.00 43.12 C ATOM 0 H ILE A 15 -2.224 -0.833 -11.223 1.00 21.44 H new ATOM 0 HA ILE A 15 -0.428 -0.303 -9.178 1.00 32.21 H new ATOM 0 HB ILE A 15 -2.443 -2.573 -9.605 1.00 20.51 H new ATOM 0 HG12 ILE A 15 -2.596 0.061 -8.050 1.00 23.22 H new ATOM 0 HG13 ILE A 15 -3.413 -0.292 -9.559 1.00 23.22 H new ATOM 0 HG21 ILE A 15 -2.438 -3.003 -7.178 1.00 3.51 H new ATOM 0 HG22 ILE A 15 -0.876 -3.384 -7.940 1.00 3.51 H new ATOM 0 HG23 ILE A 15 -1.063 -1.890 -6.991 1.00 3.51 H new ATOM 0 HD11 ILE A 15 -4.968 -0.389 -7.676 1.00 43.12 H new ATOM 0 HD12 ILE A 15 -4.799 -1.995 -8.426 1.00 43.12 H new ATOM 0 HD13 ILE A 15 -3.968 -1.636 -6.893 1.00 43.12 H new ATOM 241 N SER A 16 0.273 -3.122 -10.783 1.00 61.13 N ATOM 242 CA SER A 16 1.246 -4.211 -10.974 1.00 71.32 C ATOM 243 C SER A 16 2.584 -3.680 -11.525 1.00 64.21 C ATOM 244 O SER A 16 3.656 -4.098 -11.068 1.00 31.51 O ATOM 245 CB SER A 16 0.655 -5.270 -11.930 1.00 14.11 C ATOM 246 OG SER A 16 1.512 -6.391 -12.073 1.00 5.15 O ATOM 0 H SER A 16 -0.506 -3.154 -11.440 1.00 61.13 H new ATOM 0 HA SER A 16 1.447 -4.667 -10.004 1.00 71.32 H new ATOM 0 HB2 SER A 16 -0.313 -5.599 -11.553 1.00 14.11 H new ATOM 0 HB3 SER A 16 0.480 -4.820 -12.907 1.00 14.11 H new ATOM 0 HG SER A 16 1.103 -7.039 -12.684 1.00 5.15 H new ATOM 252 N SER A 17 2.500 -2.747 -12.498 1.00 24.03 N ATOM 253 CA SER A 17 3.685 -2.135 -13.135 1.00 42.03 C ATOM 254 C SER A 17 4.532 -1.367 -12.099 1.00 40.04 C ATOM 255 O SER A 17 5.750 -1.577 -11.983 1.00 22.22 O ATOM 256 CB SER A 17 3.234 -1.194 -14.272 1.00 72.43 C ATOM 257 OG SER A 17 2.471 -1.894 -15.242 1.00 61.24 O ATOM 0 H SER A 17 1.613 -2.399 -12.862 1.00 24.03 H new ATOM 0 HA SER A 17 4.307 -2.927 -13.552 1.00 42.03 H new ATOM 0 HB2 SER A 17 2.642 -0.377 -13.859 1.00 72.43 H new ATOM 0 HB3 SER A 17 4.108 -0.746 -14.746 1.00 72.43 H new ATOM 0 HG SER A 17 1.559 -2.025 -14.909 1.00 61.24 H new ATOM 263 N VAL A 18 3.836 -0.528 -11.315 1.00 73.33 N ATOM 264 CA VAL A 18 4.433 0.329 -10.277 1.00 41.10 C ATOM 265 C VAL A 18 5.051 -0.522 -9.151 1.00 24.34 C ATOM 266 O VAL A 18 6.138 -0.210 -8.646 1.00 24.14 O ATOM 267 CB VAL A 18 3.346 1.290 -9.680 1.00 13.50 C ATOM 268 CG1 VAL A 18 3.915 2.167 -8.544 1.00 24.42 C ATOM 269 CG2 VAL A 18 2.721 2.157 -10.793 1.00 72.51 C ATOM 0 H VAL A 18 2.824 -0.424 -11.386 1.00 73.33 H new ATOM 0 HA VAL A 18 5.224 0.921 -10.738 1.00 41.10 H new ATOM 0 HB VAL A 18 2.562 0.672 -9.243 1.00 13.50 H new ATOM 0 HG11 VAL A 18 3.130 2.818 -8.159 1.00 24.42 H new ATOM 0 HG12 VAL A 18 4.284 1.528 -7.741 1.00 24.42 H new ATOM 0 HG13 VAL A 18 4.734 2.775 -8.929 1.00 24.42 H new ATOM 0 HG21 VAL A 18 1.969 2.817 -10.361 1.00 72.51 H new ATOM 0 HG22 VAL A 18 3.499 2.755 -11.269 1.00 72.51 H new ATOM 0 HG23 VAL A 18 2.253 1.512 -11.537 1.00 72.51 H new ATOM 279 N GLN A 19 4.330 -1.595 -8.791 1.00 63.24 N ATOM 280 CA GLN A 19 4.759 -2.579 -7.785 1.00 11.14 C ATOM 281 C GLN A 19 6.131 -3.179 -8.143 1.00 61.44 C ATOM 282 O GLN A 19 7.022 -3.215 -7.302 1.00 2.10 O ATOM 283 CB GLN A 19 3.677 -3.687 -7.650 1.00 32.13 C ATOM 284 CG GLN A 19 4.128 -4.961 -6.917 1.00 42.50 C ATOM 285 CD GLN A 19 3.094 -6.093 -6.897 1.00 13.53 C ATOM 286 OE1 GLN A 19 2.165 -6.122 -7.864 1.00 2.25 O flip ATOM 287 NE2 GLN A 19 3.122 -6.940 -6.007 1.00 63.20 N flip ATOM 0 H GLN A 19 3.418 -1.807 -9.197 1.00 63.24 H new ATOM 0 HA GLN A 19 4.871 -2.077 -6.824 1.00 11.14 H new ATOM 0 HB2 GLN A 19 2.818 -3.270 -7.124 1.00 32.13 H new ATOM 0 HB3 GLN A 19 3.337 -3.963 -8.648 1.00 32.13 H new ATOM 0 HG2 GLN A 19 5.040 -5.330 -7.387 1.00 42.50 H new ATOM 0 HG3 GLN A 19 4.381 -4.701 -5.889 1.00 42.50 H new ATOM 0 HE21 GLN A 19 3.839 -6.896 -5.283 1.00 63.20 H new ATOM 0 HE22 GLN A 19 2.428 -7.687 -5.992 1.00 63.20 H new ATOM 296 N GLU A 20 6.283 -3.611 -9.411 1.00 32.31 N ATOM 297 CA GLU A 20 7.508 -4.284 -9.881 1.00 13.22 C ATOM 298 C GLU A 20 8.686 -3.302 -10.024 1.00 55.15 C ATOM 299 O GLU A 20 9.846 -3.701 -9.844 1.00 72.23 O ATOM 300 CB GLU A 20 7.243 -5.036 -11.208 1.00 0.21 C ATOM 301 CG GLU A 20 6.182 -6.152 -11.094 1.00 5.02 C ATOM 302 CD GLU A 20 6.497 -7.204 -10.008 1.00 3.33 C ATOM 303 OE1 GLU A 20 7.416 -8.026 -10.212 1.00 74.15 O ATOM 304 OE2 GLU A 20 5.822 -7.222 -8.953 1.00 54.21 O ATOM 0 H GLU A 20 5.568 -3.504 -10.130 1.00 32.31 H new ATOM 0 HA GLU A 20 7.793 -5.014 -9.123 1.00 13.22 H new ATOM 0 HB2 GLU A 20 6.922 -4.318 -11.963 1.00 0.21 H new ATOM 0 HB3 GLU A 20 8.178 -5.472 -11.560 1.00 0.21 H new ATOM 0 HG2 GLU A 20 5.214 -5.699 -10.878 1.00 5.02 H new ATOM 0 HG3 GLU A 20 6.091 -6.654 -12.057 1.00 5.02 H new ATOM 311 N ARG A 21 8.382 -2.017 -10.329 1.00 61.30 N ATOM 312 CA ARG A 21 9.397 -0.935 -10.338 1.00 75.12 C ATOM 313 C ARG A 21 9.961 -0.745 -8.925 1.00 0.31 C ATOM 314 O ARG A 21 11.169 -0.750 -8.718 1.00 71.24 O ATOM 315 CB ARG A 21 8.792 0.420 -10.796 1.00 42.24 C ATOM 316 CG ARG A 21 8.234 0.456 -12.225 1.00 45.52 C ATOM 317 CD ARG A 21 7.566 1.803 -12.528 1.00 62.05 C ATOM 318 NE ARG A 21 6.952 1.849 -13.858 1.00 0.43 N ATOM 319 CZ ARG A 21 6.640 2.973 -14.523 1.00 32.40 C ATOM 320 NH1 ARG A 21 6.880 4.171 -13.985 1.00 53.35 N ATOM 321 NH2 ARG A 21 6.083 2.888 -15.720 1.00 24.00 N ATOM 0 H ARG A 21 7.442 -1.704 -10.572 1.00 61.30 H new ATOM 0 HA ARG A 21 10.178 -1.231 -11.038 1.00 75.12 H new ATOM 0 HB2 ARG A 21 7.991 0.690 -10.107 1.00 42.24 H new ATOM 0 HB3 ARG A 21 9.561 1.188 -10.707 1.00 42.24 H new ATOM 0 HG2 ARG A 21 9.040 0.279 -12.937 1.00 45.52 H new ATOM 0 HG3 ARG A 21 7.511 -0.349 -12.356 1.00 45.52 H new ATOM 0 HD2 ARG A 21 6.804 2.003 -11.775 1.00 62.05 H new ATOM 0 HD3 ARG A 21 8.308 2.597 -12.449 1.00 62.05 H new ATOM 0 HE ARG A 21 6.746 0.960 -14.313 1.00 0.43 H new ATOM 0 HH11 ARG A 21 7.304 4.239 -13.060 1.00 53.35 H new ATOM 0 HH12 ARG A 21 6.639 5.018 -14.499 1.00 53.35 H new ATOM 0 HH21 ARG A 21 5.894 1.974 -16.131 1.00 24.00 H new ATOM 0 HH22 ARG A 21 5.843 3.737 -16.232 1.00 24.00 H new ATOM 335 N ALA A 22 9.037 -0.619 -7.963 1.00 72.23 N ATOM 336 CA ALA A 22 9.341 -0.316 -6.563 1.00 63.21 C ATOM 337 C ALA A 22 10.016 -1.511 -5.857 1.00 1.34 C ATOM 338 O ALA A 22 10.849 -1.321 -4.970 1.00 32.53 O ATOM 339 CB ALA A 22 8.046 0.097 -5.859 1.00 33.31 C ATOM 0 H ALA A 22 8.039 -0.727 -8.142 1.00 72.23 H new ATOM 0 HA ALA A 22 10.054 0.507 -6.518 1.00 63.21 H new ATOM 0 HB1 ALA A 22 8.257 0.326 -4.814 1.00 33.31 H new ATOM 0 HB2 ALA A 22 7.632 0.979 -6.347 1.00 33.31 H new ATOM 0 HB3 ALA A 22 7.326 -0.720 -5.913 1.00 33.31 H new ATOM 345 N LYS A 23 9.650 -2.737 -6.270 1.00 44.42 N ATOM 346 CA LYS A 23 10.316 -3.978 -5.823 1.00 30.51 C ATOM 347 C LYS A 23 11.727 -4.100 -6.424 1.00 2.01 C ATOM 348 O LYS A 23 12.559 -4.831 -5.897 1.00 62.24 O ATOM 349 CB LYS A 23 9.473 -5.226 -6.207 1.00 11.24 C ATOM 350 CG LYS A 23 8.237 -5.485 -5.312 1.00 54.24 C ATOM 351 CD LYS A 23 7.311 -6.584 -5.891 1.00 63.12 C ATOM 352 CE LYS A 23 8.018 -7.936 -6.117 1.00 2.20 C ATOM 353 NZ LYS A 23 7.148 -8.894 -6.856 1.00 24.42 N ATOM 0 H LYS A 23 8.884 -2.898 -6.924 1.00 44.42 H new ATOM 0 HA LYS A 23 10.404 -3.929 -4.738 1.00 30.51 H new ATOM 0 HB2 LYS A 23 9.138 -5.116 -7.238 1.00 11.24 H new ATOM 0 HB3 LYS A 23 10.117 -6.105 -6.173 1.00 11.24 H new ATOM 0 HG2 LYS A 23 8.568 -5.780 -4.316 1.00 54.24 H new ATOM 0 HG3 LYS A 23 7.672 -4.559 -5.200 1.00 54.24 H new ATOM 0 HD2 LYS A 23 6.471 -6.733 -5.213 1.00 63.12 H new ATOM 0 HD3 LYS A 23 6.899 -6.237 -6.838 1.00 63.12 H new ATOM 0 HE2 LYS A 23 8.940 -7.776 -6.676 1.00 2.20 H new ATOM 0 HE3 LYS A 23 8.298 -8.366 -5.155 1.00 2.20 H new ATOM 0 HZ1 LYS A 23 7.736 -9.638 -7.283 1.00 24.42 H new ATOM 0 HZ2 LYS A 23 6.468 -9.325 -6.197 1.00 24.42 H new ATOM 0 HZ3 LYS A 23 6.632 -8.388 -7.604 1.00 24.42 H new ATOM 367 N HIS A 24 11.969 -3.436 -7.567 1.00 14.11 N ATOM 368 CA HIS A 24 13.310 -3.357 -8.180 1.00 11.41 C ATOM 369 C HIS A 24 14.133 -2.202 -7.551 1.00 75.43 C ATOM 370 O HIS A 24 15.366 -2.268 -7.487 1.00 34.11 O ATOM 371 CB HIS A 24 13.171 -3.178 -9.716 1.00 43.13 C ATOM 372 CG HIS A 24 14.482 -3.228 -10.456 1.00 15.21 C ATOM 373 ND1 HIS A 24 15.280 -4.352 -10.483 1.00 12.13 N ATOM 374 CD2 HIS A 24 15.143 -2.289 -11.174 1.00 73.13 C ATOM 375 CE1 HIS A 24 16.366 -4.102 -11.180 1.00 61.24 C ATOM 376 NE2 HIS A 24 16.306 -2.862 -11.611 1.00 35.11 N ATOM 0 H HIS A 24 11.247 -2.941 -8.091 1.00 14.11 H new ATOM 0 HA HIS A 24 13.848 -4.285 -7.986 1.00 11.41 H new ATOM 0 HB2 HIS A 24 12.515 -3.957 -10.105 1.00 43.13 H new ATOM 0 HB3 HIS A 24 12.687 -2.223 -9.919 1.00 43.13 H new ATOM 0 HD2 HIS A 24 14.814 -1.278 -11.366 1.00 73.13 H new ATOM 0 HE1 HIS A 24 17.171 -4.797 -11.367 1.00 61.24 H new ATOM 0 HE2 HIS A 24 17.014 -2.400 -12.181 1.00 35.11 H new ATOM 385 N ASN A 25 13.423 -1.154 -7.087 1.00 35.13 N ATOM 386 CA ASN A 25 14.032 0.021 -6.415 1.00 33.04 C ATOM 387 C ASN A 25 14.419 -0.322 -4.967 1.00 12.35 C ATOM 388 O ASN A 25 15.404 0.197 -4.441 1.00 61.04 O ATOM 389 CB ASN A 25 13.048 1.236 -6.423 1.00 45.34 C ATOM 390 CG ASN A 25 12.918 1.972 -7.770 1.00 5.22 C ATOM 391 OD1 ASN A 25 12.708 3.182 -7.795 1.00 64.03 O ATOM 392 ND2 ASN A 25 13.025 1.271 -8.893 1.00 40.11 N ATOM 0 H ASN A 25 12.408 -1.095 -7.166 1.00 35.13 H new ATOM 0 HA ASN A 25 14.932 0.292 -6.967 1.00 33.04 H new ATOM 0 HB2 ASN A 25 12.061 0.884 -6.124 1.00 45.34 H new ATOM 0 HB3 ASN A 25 13.374 1.951 -5.668 1.00 45.34 H new ATOM 0 HD21 ASN A 25 12.933 1.737 -9.796 1.00 40.11 H new ATOM 0 HD22 ASN A 25 13.200 0.267 -8.853 1.00 40.11 H new ATOM 399 N TYR A 26 13.624 -1.193 -4.334 1.00 12.24 N ATOM 400 CA TYR A 26 13.748 -1.530 -2.902 1.00 55.14 C ATOM 401 C TYR A 26 13.836 -3.059 -2.732 1.00 42.52 C ATOM 402 O TYR A 26 13.291 -3.787 -3.556 1.00 54.04 O ATOM 403 CB TYR A 26 12.528 -0.952 -2.116 1.00 30.32 C ATOM 404 CG TYR A 26 12.483 0.585 -2.140 1.00 11.53 C ATOM 405 CD1 TYR A 26 13.261 1.333 -1.259 1.00 43.40 C ATOM 406 CD2 TYR A 26 11.706 1.287 -3.070 1.00 24.21 C ATOM 407 CE1 TYR A 26 13.270 2.712 -1.298 1.00 30.13 C ATOM 408 CE2 TYR A 26 11.707 2.674 -3.104 1.00 11.13 C ATOM 409 CZ TYR A 26 12.496 3.378 -2.218 1.00 25.20 C ATOM 410 OH TYR A 26 12.516 4.756 -2.255 1.00 32.04 O ATOM 0 H TYR A 26 12.867 -1.691 -4.802 1.00 12.24 H new ATOM 0 HA TYR A 26 14.659 -1.086 -2.500 1.00 55.14 H new ATOM 0 HB2 TYR A 26 11.606 -1.345 -2.544 1.00 30.32 H new ATOM 0 HB3 TYR A 26 12.571 -1.294 -1.082 1.00 30.32 H new ATOM 0 HD1 TYR A 26 13.871 0.822 -0.529 1.00 43.40 H new ATOM 0 HD2 TYR A 26 11.096 0.739 -3.773 1.00 24.21 H new ATOM 0 HE1 TYR A 26 13.885 3.268 -0.606 1.00 30.13 H new ATOM 0 HE2 TYR A 26 11.093 3.200 -3.820 1.00 11.13 H new ATOM 0 HH TYR A 26 11.654 5.104 -1.945 1.00 32.04 H new ATOM 420 N PRO A 27 14.519 -3.577 -1.654 1.00 13.02 N ATOM 421 CA PRO A 27 14.630 -5.047 -1.370 1.00 54.33 C ATOM 422 C PRO A 27 13.305 -5.736 -0.916 1.00 32.30 C ATOM 423 O PRO A 27 13.321 -6.611 -0.035 1.00 11.23 O ATOM 424 CB PRO A 27 15.717 -5.087 -0.257 1.00 72.42 C ATOM 425 CG PRO A 27 15.596 -3.762 0.427 1.00 50.02 C ATOM 426 CD PRO A 27 15.313 -2.778 -0.678 1.00 51.14 C ATOM 0 HA PRO A 27 14.877 -5.611 -2.270 1.00 54.33 H new ATOM 0 HB2 PRO A 27 15.545 -5.910 0.437 1.00 72.42 H new ATOM 0 HB3 PRO A 27 16.712 -5.228 -0.678 1.00 72.42 H new ATOM 0 HG2 PRO A 27 14.793 -3.770 1.164 1.00 50.02 H new ATOM 0 HG3 PRO A 27 16.513 -3.507 0.958 1.00 50.02 H new ATOM 0 HD2 PRO A 27 14.754 -1.916 -0.315 1.00 51.14 H new ATOM 0 HD3 PRO A 27 16.232 -2.398 -1.123 1.00 51.14 H new ATOM 434 N GLY A 28 12.171 -5.329 -1.515 1.00 53.13 N ATOM 435 CA GLY A 28 10.944 -6.121 -1.518 1.00 44.42 C ATOM 436 C GLY A 28 10.012 -5.873 -0.348 1.00 52.02 C ATOM 437 O GLY A 28 8.844 -5.574 -0.552 1.00 61.41 O ATOM 0 H GLY A 28 12.087 -4.440 -2.009 1.00 53.13 H new ATOM 0 HA2 GLY A 28 10.403 -5.919 -2.442 1.00 44.42 H new ATOM 0 HA3 GLY A 28 11.213 -7.177 -1.530 1.00 44.42 H new ATOM 441 N ARG A 29 10.547 -5.977 0.877 1.00 13.11 N ATOM 442 CA ARG A 29 9.747 -6.057 2.121 1.00 73.43 C ATOM 443 C ARG A 29 8.957 -4.770 2.431 1.00 62.51 C ATOM 444 O ARG A 29 7.966 -4.818 3.167 1.00 34.24 O ATOM 445 CB ARG A 29 10.676 -6.418 3.306 1.00 53.23 C ATOM 446 CG ARG A 29 11.487 -7.716 3.094 1.00 71.00 C ATOM 447 CD ARG A 29 12.442 -8.021 4.252 1.00 41.34 C ATOM 448 NE ARG A 29 13.277 -9.205 3.975 1.00 33.35 N ATOM 449 CZ ARG A 29 14.559 -9.167 3.585 1.00 44.33 C ATOM 450 NH1 ARG A 29 15.186 -8.006 3.398 1.00 73.03 N ATOM 451 NH2 ARG A 29 15.207 -10.300 3.379 1.00 34.20 N ATOM 0 H ARG A 29 11.553 -6.009 1.040 1.00 13.11 H new ATOM 0 HA ARG A 29 9.001 -6.837 1.971 1.00 73.43 H new ATOM 0 HB2 ARG A 29 11.368 -5.593 3.477 1.00 53.23 H new ATOM 0 HB3 ARG A 29 10.074 -6.521 4.209 1.00 53.23 H new ATOM 0 HG2 ARG A 29 10.798 -8.552 2.968 1.00 71.00 H new ATOM 0 HG3 ARG A 29 12.060 -7.633 2.170 1.00 71.00 H new ATOM 0 HD2 ARG A 29 13.083 -7.158 4.432 1.00 41.34 H new ATOM 0 HD3 ARG A 29 11.867 -8.186 5.163 1.00 41.34 H new ATOM 0 HE ARG A 29 12.846 -10.122 4.089 1.00 33.35 H new ATOM 0 HH11 ARG A 29 14.690 -7.128 3.552 1.00 73.03 H new ATOM 0 HH12 ARG A 29 16.162 -7.995 3.101 1.00 73.03 H new ATOM 0 HH21 ARG A 29 14.732 -11.192 3.517 1.00 34.20 H new ATOM 0 HH22 ARG A 29 16.183 -10.283 3.082 1.00 34.20 H new ATOM 465 N TYR A 30 9.405 -3.637 1.872 1.00 14.32 N ATOM 466 CA TYR A 30 8.721 -2.332 2.026 1.00 31.23 C ATOM 467 C TYR A 30 7.515 -2.217 1.084 1.00 61.22 C ATOM 468 O TYR A 30 6.606 -1.421 1.324 1.00 63.42 O ATOM 469 CB TYR A 30 9.716 -1.177 1.775 1.00 54.53 C ATOM 470 CG TYR A 30 10.814 -1.092 2.841 1.00 74.53 C ATOM 471 CD1 TYR A 30 11.949 -1.909 2.778 1.00 72.32 C ATOM 472 CD2 TYR A 30 10.700 -0.215 3.928 1.00 54.15 C ATOM 473 CE1 TYR A 30 12.928 -1.850 3.750 1.00 43.31 C ATOM 474 CE2 TYR A 30 11.678 -0.154 4.903 1.00 3.34 C ATOM 475 CZ TYR A 30 12.792 -0.976 4.808 1.00 60.25 C ATOM 476 OH TYR A 30 13.782 -0.921 5.771 1.00 44.15 O ATOM 0 H TYR A 30 10.249 -3.592 1.301 1.00 14.32 H new ATOM 0 HA TYR A 30 8.349 -2.264 3.048 1.00 31.23 H new ATOM 0 HB2 TYR A 30 10.177 -1.308 0.796 1.00 54.53 H new ATOM 0 HB3 TYR A 30 9.170 -0.234 1.747 1.00 54.53 H new ATOM 0 HD1 TYR A 30 12.061 -2.598 1.954 1.00 72.32 H new ATOM 0 HD2 TYR A 30 9.833 0.424 4.005 1.00 54.15 H new ATOM 0 HE1 TYR A 30 13.798 -2.487 3.682 1.00 43.31 H new ATOM 0 HE2 TYR A 30 11.576 0.529 5.733 1.00 3.34 H new ATOM 0 HH TYR A 30 13.541 -0.257 6.450 1.00 44.15 H new ATOM 486 N ILE A 31 7.536 -3.003 -0.002 1.00 70.41 N ATOM 487 CA ILE A 31 6.412 -3.110 -0.943 1.00 32.44 C ATOM 488 C ILE A 31 5.662 -4.417 -0.645 1.00 63.22 C ATOM 489 O ILE A 31 6.216 -5.512 -0.777 1.00 21.31 O ATOM 490 CB ILE A 31 6.895 -3.090 -2.453 1.00 23.44 C ATOM 491 CG1 ILE A 31 7.445 -1.686 -2.865 1.00 63.43 C ATOM 492 CG2 ILE A 31 5.761 -3.534 -3.421 1.00 51.23 C ATOM 493 CD1 ILE A 31 8.765 -1.272 -2.234 1.00 54.15 C ATOM 0 H ILE A 31 8.336 -3.584 -0.253 1.00 70.41 H new ATOM 0 HA ILE A 31 5.758 -2.248 -0.810 1.00 32.44 H new ATOM 0 HB ILE A 31 7.711 -3.808 -2.533 1.00 23.44 H new ATOM 0 HG12 ILE A 31 7.562 -1.668 -3.949 1.00 63.43 H new ATOM 0 HG13 ILE A 31 6.695 -0.936 -2.613 1.00 63.43 H new ATOM 0 HG21 ILE A 31 6.128 -3.508 -4.447 1.00 51.23 H new ATOM 0 HG22 ILE A 31 5.447 -4.548 -3.173 1.00 51.23 H new ATOM 0 HG23 ILE A 31 4.912 -2.857 -3.322 1.00 51.23 H new ATOM 0 HD11 ILE A 31 9.046 -0.282 -2.594 1.00 54.15 H new ATOM 0 HD12 ILE A 31 8.658 -1.247 -1.150 1.00 54.15 H new ATOM 0 HD13 ILE A 31 9.539 -1.990 -2.505 1.00 54.15 H new ATOM 505 N ARG A 32 4.399 -4.292 -0.278 1.00 43.42 N ATOM 506 CA ARG A 32 3.522 -5.417 0.039 1.00 2.00 C ATOM 507 C ARG A 32 2.200 -5.211 -0.714 1.00 65.02 C ATOM 508 O ARG A 32 1.878 -4.087 -1.095 1.00 41.11 O ATOM 509 CB ARG A 32 3.293 -5.481 1.578 1.00 13.32 C ATOM 510 CG ARG A 32 2.388 -6.640 2.046 1.00 12.30 C ATOM 511 CD ARG A 32 2.978 -8.053 1.806 1.00 73.05 C ATOM 512 NE ARG A 32 1.927 -9.083 1.694 1.00 0.05 N ATOM 513 CZ ARG A 32 1.311 -9.700 2.712 1.00 53.52 C ATOM 514 NH1 ARG A 32 1.604 -9.419 3.970 1.00 32.44 N ATOM 515 NH2 ARG A 32 0.384 -10.594 2.462 1.00 12.02 N ATOM 0 H ARG A 32 3.939 -3.386 -0.188 1.00 43.42 H new ATOM 0 HA ARG A 32 3.969 -6.362 -0.269 1.00 2.00 H new ATOM 0 HB2 ARG A 32 4.260 -5.571 2.072 1.00 13.32 H new ATOM 0 HB3 ARG A 32 2.853 -4.539 1.906 1.00 13.32 H new ATOM 0 HG2 ARG A 32 2.187 -6.520 3.111 1.00 12.30 H new ATOM 0 HG3 ARG A 32 1.430 -6.567 1.530 1.00 12.30 H new ATOM 0 HD2 ARG A 32 3.576 -8.045 0.895 1.00 73.05 H new ATOM 0 HD3 ARG A 32 3.649 -8.309 2.626 1.00 73.05 H new ATOM 0 HE ARG A 32 1.642 -9.351 0.752 1.00 0.05 H new ATOM 0 HH11 ARG A 32 2.314 -8.718 4.184 1.00 32.44 H new ATOM 0 HH12 ARG A 32 1.121 -9.903 4.727 1.00 32.44 H new ATOM 0 HH21 ARG A 32 0.136 -10.816 1.498 1.00 12.02 H new ATOM 0 HH22 ARG A 32 -0.089 -11.067 3.232 1.00 12.02 H new ATOM 529 N THR A 33 1.464 -6.295 -0.972 1.00 12.13 N ATOM 530 CA THR A 33 0.140 -6.225 -1.587 1.00 55.30 C ATOM 531 C THR A 33 -0.922 -6.815 -0.661 1.00 73.12 C ATOM 532 O THR A 33 -0.682 -7.814 0.038 1.00 72.24 O ATOM 533 CB THR A 33 0.124 -6.968 -2.959 1.00 55.03 C ATOM 534 OG1 THR A 33 0.723 -8.261 -2.821 1.00 31.25 O ATOM 535 CG2 THR A 33 0.861 -6.177 -4.045 1.00 4.14 C ATOM 0 H THR A 33 1.771 -7.244 -0.760 1.00 12.13 H new ATOM 0 HA THR A 33 -0.091 -5.174 -1.758 1.00 55.30 H new ATOM 0 HB THR A 33 -0.917 -7.070 -3.265 1.00 55.03 H new ATOM 0 HG1 THR A 33 0.708 -8.722 -3.685 1.00 31.25 H new ATOM 0 HG21 THR A 33 0.826 -6.729 -4.984 1.00 4.14 H new ATOM 0 HG22 THR A 33 0.382 -5.207 -4.177 1.00 4.14 H new ATOM 0 HG23 THR A 33 1.900 -6.032 -3.748 1.00 4.14 H new ATOM 543 N ALA A 34 -2.086 -6.163 -0.668 1.00 53.11 N ATOM 544 CA ALA A 34 -3.325 -6.684 -0.093 1.00 73.34 C ATOM 545 C ALA A 34 -4.213 -7.152 -1.251 1.00 53.53 C ATOM 546 O ALA A 34 -4.157 -6.596 -2.361 1.00 2.20 O ATOM 547 CB ALA A 34 -4.031 -5.625 0.767 1.00 42.34 C ATOM 0 H ALA A 34 -2.195 -5.238 -1.083 1.00 53.11 H new ATOM 0 HA ALA A 34 -3.109 -7.520 0.572 1.00 73.34 H new ATOM 0 HB1 ALA A 34 -4.949 -6.044 1.180 1.00 42.34 H new ATOM 0 HB2 ALA A 34 -3.373 -5.320 1.581 1.00 42.34 H new ATOM 0 HB3 ALA A 34 -4.273 -4.759 0.151 1.00 42.34 H new ATOM 553 N THR A 35 -5.018 -8.174 -0.980 1.00 64.21 N ATOM 554 CA THR A 35 -5.856 -8.848 -1.991 1.00 0.12 C ATOM 555 C THR A 35 -7.042 -9.539 -1.291 1.00 4.34 C ATOM 556 O THR A 35 -8.128 -9.678 -1.867 1.00 64.30 O ATOM 557 CB THR A 35 -5.027 -9.869 -2.859 1.00 3.40 C ATOM 558 OG1 THR A 35 -5.839 -10.425 -3.912 1.00 35.32 O ATOM 559 CG2 THR A 35 -4.432 -11.006 -2.025 1.00 74.42 C ATOM 0 H THR A 35 -5.115 -8.569 -0.045 1.00 64.21 H new ATOM 0 HA THR A 35 -6.237 -8.096 -2.682 1.00 0.12 H new ATOM 0 HB THR A 35 -4.201 -9.302 -3.289 1.00 3.40 H new ATOM 0 HG1 THR A 35 -6.411 -9.724 -4.288 1.00 35.32 H new ATOM 0 HG21 THR A 35 -3.872 -11.679 -2.674 1.00 74.42 H new ATOM 0 HG22 THR A 35 -3.765 -10.592 -1.269 1.00 74.42 H new ATOM 0 HG23 THR A 35 -5.235 -11.558 -1.537 1.00 74.42 H new ATOM 567 N SER A 36 -6.818 -9.961 -0.032 1.00 64.40 N ATOM 568 CA SER A 36 -7.858 -10.500 0.843 1.00 43.44 C ATOM 569 C SER A 36 -7.629 -10.011 2.278 1.00 3.31 C ATOM 570 O SER A 36 -6.561 -9.447 2.595 1.00 71.33 O ATOM 571 CB SER A 36 -7.863 -12.045 0.783 1.00 63.12 C ATOM 572 OG SER A 36 -6.627 -12.571 1.218 1.00 74.31 O ATOM 0 H SER A 36 -5.896 -9.934 0.404 1.00 64.40 H new ATOM 0 HA SER A 36 -8.832 -10.146 0.504 1.00 43.44 H new ATOM 0 HB2 SER A 36 -8.668 -12.434 1.406 1.00 63.12 H new ATOM 0 HB3 SER A 36 -8.063 -12.372 -0.237 1.00 63.12 H new ATOM 0 HG SER A 36 -5.905 -11.956 0.971 1.00 74.31 H new ATOM 578 N SER A 37 -8.627 -10.278 3.139 1.00 61.12 N ATOM 579 CA SER A 37 -8.600 -9.952 4.576 1.00 21.31 C ATOM 580 C SER A 37 -7.402 -10.620 5.290 1.00 21.51 C ATOM 581 O SER A 37 -6.913 -10.100 6.300 1.00 74.05 O ATOM 582 CB SER A 37 -9.933 -10.397 5.224 1.00 74.31 C ATOM 583 OG SER A 37 -10.182 -11.776 4.978 1.00 31.04 O ATOM 0 H SER A 37 -9.492 -10.735 2.850 1.00 61.12 H new ATOM 0 HA SER A 37 -8.480 -8.874 4.684 1.00 21.31 H new ATOM 0 HB2 SER A 37 -9.898 -10.216 6.298 1.00 74.31 H new ATOM 0 HB3 SER A 37 -10.753 -9.799 4.826 1.00 74.31 H new ATOM 0 HG SER A 37 -11.028 -12.036 5.398 1.00 31.04 H new ATOM 589 N GLN A 38 -6.942 -11.765 4.726 1.00 62.55 N ATOM 590 CA GLN A 38 -5.796 -12.536 5.240 1.00 41.14 C ATOM 591 C GLN A 38 -4.509 -11.700 5.159 1.00 60.11 C ATOM 592 O GLN A 38 -3.794 -11.544 6.160 1.00 12.23 O ATOM 593 CB GLN A 38 -5.617 -13.855 4.438 1.00 5.32 C ATOM 594 CG GLN A 38 -6.861 -14.764 4.383 1.00 42.24 C ATOM 595 CD GLN A 38 -7.443 -15.105 5.760 1.00 22.21 C ATOM 596 OE1 GLN A 38 -7.022 -16.065 6.409 1.00 65.52 O ATOM 597 NE2 GLN A 38 -8.439 -14.343 6.196 1.00 44.23 N ATOM 0 H GLN A 38 -7.364 -12.178 3.894 1.00 62.55 H new ATOM 0 HA GLN A 38 -5.995 -12.784 6.283 1.00 41.14 H new ATOM 0 HB2 GLN A 38 -5.324 -13.605 3.418 1.00 5.32 H new ATOM 0 HB3 GLN A 38 -4.794 -14.419 4.876 1.00 5.32 H new ATOM 0 HG2 GLN A 38 -7.630 -14.275 3.785 1.00 42.24 H new ATOM 0 HG3 GLN A 38 -6.600 -15.690 3.870 1.00 42.24 H new ATOM 0 HE21 GLN A 38 -8.763 -13.556 5.634 1.00 44.23 H new ATOM 0 HE22 GLN A 38 -8.880 -14.544 7.093 1.00 44.23 H new ATOM 606 N ASP A 39 -4.249 -11.164 3.947 1.00 61.10 N ATOM 607 CA ASP A 39 -3.097 -10.286 3.662 1.00 21.20 C ATOM 608 C ASP A 39 -3.118 -9.056 4.563 1.00 13.55 C ATOM 609 O ASP A 39 -2.144 -8.804 5.263 1.00 60.03 O ATOM 610 CB ASP A 39 -3.094 -9.852 2.168 1.00 63.01 C ATOM 611 CG ASP A 39 -2.897 -11.039 1.225 1.00 13.21 C ATOM 612 OD1 ASP A 39 -3.837 -11.846 1.087 1.00 73.54 O ATOM 613 OD2 ASP A 39 -1.795 -11.203 0.659 1.00 32.34 O ATOM 0 H ASP A 39 -4.839 -11.331 3.132 1.00 61.10 H new ATOM 0 HA ASP A 39 -2.187 -10.850 3.865 1.00 21.20 H new ATOM 0 HB2 ASP A 39 -4.035 -9.355 1.933 1.00 63.01 H new ATOM 0 HB3 ASP A 39 -2.300 -9.124 2.004 1.00 63.01 H new ATOM 618 N ILE A 40 -4.269 -8.342 4.558 1.00 31.41 N ATOM 619 CA ILE A 40 -4.513 -7.138 5.389 1.00 44.42 C ATOM 620 C ILE A 40 -4.038 -7.326 6.857 1.00 63.44 C ATOM 621 O ILE A 40 -3.063 -6.702 7.287 1.00 42.40 O ATOM 622 CB ILE A 40 -6.050 -6.795 5.348 1.00 21.21 C ATOM 623 CG1 ILE A 40 -6.470 -6.400 3.898 1.00 4.15 C ATOM 624 CG2 ILE A 40 -6.456 -5.705 6.378 1.00 2.13 C ATOM 625 CD1 ILE A 40 -7.962 -6.273 3.697 1.00 12.15 C ATOM 0 H ILE A 40 -5.064 -8.589 3.969 1.00 31.41 H new ATOM 0 HA ILE A 40 -3.931 -6.314 4.976 1.00 44.42 H new ATOM 0 HB ILE A 40 -6.593 -7.694 5.641 1.00 21.21 H new ATOM 0 HG12 ILE A 40 -5.998 -5.452 3.641 1.00 4.15 H new ATOM 0 HG13 ILE A 40 -6.084 -7.146 3.204 1.00 4.15 H new ATOM 0 HG21 ILE A 40 -7.526 -5.512 6.301 1.00 2.13 H new ATOM 0 HG22 ILE A 40 -6.221 -6.050 7.385 1.00 2.13 H new ATOM 0 HG23 ILE A 40 -5.906 -4.787 6.172 1.00 2.13 H new ATOM 0 HD11 ILE A 40 -8.168 -5.996 2.663 1.00 12.15 H new ATOM 0 HD12 ILE A 40 -8.442 -7.226 3.920 1.00 12.15 H new ATOM 0 HD13 ILE A 40 -8.355 -5.505 4.363 1.00 12.15 H new ATOM 637 N ARG A 41 -4.679 -8.266 7.572 1.00 24.30 N ATOM 638 CA ARG A 41 -4.430 -8.510 9.009 1.00 22.51 C ATOM 639 C ARG A 41 -3.044 -9.122 9.284 1.00 25.43 C ATOM 640 O ARG A 41 -2.631 -9.161 10.429 1.00 70.11 O ATOM 641 CB ARG A 41 -5.574 -9.369 9.613 1.00 53.23 C ATOM 642 CG ARG A 41 -6.943 -8.640 9.633 1.00 5.04 C ATOM 643 CD ARG A 41 -8.051 -9.454 10.313 1.00 63.21 C ATOM 644 NE ARG A 41 -9.306 -8.688 10.431 1.00 43.21 N ATOM 645 CZ ARG A 41 -10.370 -8.795 9.618 1.00 13.30 C ATOM 646 NH1 ARG A 41 -10.365 -9.645 8.600 1.00 2.03 N ATOM 647 NH2 ARG A 41 -11.441 -8.038 9.835 1.00 30.42 N ATOM 0 H ARG A 41 -5.387 -8.881 7.171 1.00 24.30 H new ATOM 0 HA ARG A 41 -4.424 -7.541 9.508 1.00 22.51 H new ATOM 0 HB2 ARG A 41 -5.669 -10.291 9.039 1.00 53.23 H new ATOM 0 HB3 ARG A 41 -5.307 -9.654 10.631 1.00 53.23 H new ATOM 0 HG2 ARG A 41 -6.832 -7.687 10.150 1.00 5.04 H new ATOM 0 HG3 ARG A 41 -7.242 -8.415 8.609 1.00 5.04 H new ATOM 0 HD2 ARG A 41 -8.234 -10.364 9.742 1.00 63.21 H new ATOM 0 HD3 ARG A 41 -7.719 -9.761 11.305 1.00 63.21 H new ATOM 0 HE ARG A 41 -9.372 -8.018 11.197 1.00 43.21 H new ATOM 0 HH11 ARG A 41 -9.546 -10.228 8.426 1.00 2.03 H new ATOM 0 HH12 ARG A 41 -11.180 -9.716 7.991 1.00 2.03 H new ATOM 0 HH21 ARG A 41 -11.451 -7.381 10.615 1.00 30.42 H new ATOM 0 HH22 ARG A 41 -12.252 -8.114 9.221 1.00 30.42 H new ATOM 661 N ASP A 42 -2.365 -9.638 8.244 1.00 73.11 N ATOM 662 CA ASP A 42 -0.947 -10.054 8.338 1.00 73.30 C ATOM 663 C ASP A 42 -0.006 -8.818 8.268 1.00 34.22 C ATOM 664 O ASP A 42 0.971 -8.722 9.034 1.00 65.42 O ATOM 665 CB ASP A 42 -0.619 -11.063 7.203 1.00 41.12 C ATOM 666 CG ASP A 42 0.851 -11.523 7.197 1.00 13.31 C ATOM 667 OD1 ASP A 42 1.204 -12.434 7.983 1.00 54.10 O ATOM 668 OD2 ASP A 42 1.662 -10.988 6.402 1.00 71.42 O ATOM 0 H ASP A 42 -2.776 -9.779 7.321 1.00 73.11 H new ATOM 0 HA ASP A 42 -0.785 -10.542 9.299 1.00 73.30 H new ATOM 0 HB2 ASP A 42 -1.264 -11.936 7.305 1.00 41.12 H new ATOM 0 HB3 ASP A 42 -0.852 -10.605 6.242 1.00 41.12 H new ATOM 673 N ILE A 43 -0.344 -7.875 7.352 1.00 25.41 N ATOM 674 CA ILE A 43 0.434 -6.636 7.089 1.00 63.13 C ATOM 675 C ILE A 43 0.449 -5.755 8.344 1.00 51.52 C ATOM 676 O ILE A 43 1.500 -5.428 8.912 1.00 65.04 O ATOM 677 CB ILE A 43 -0.222 -5.820 5.894 1.00 4.34 C ATOM 678 CG1 ILE A 43 -0.148 -6.612 4.555 1.00 73.11 C ATOM 679 CG2 ILE A 43 0.405 -4.412 5.743 1.00 52.41 C ATOM 680 CD1 ILE A 43 -0.992 -6.035 3.427 1.00 42.43 C ATOM 0 H ILE A 43 -1.176 -7.955 6.767 1.00 25.41 H new ATOM 0 HA ILE A 43 1.453 -6.916 6.822 1.00 63.13 H new ATOM 0 HB ILE A 43 -1.274 -5.683 6.143 1.00 4.34 H new ATOM 0 HG12 ILE A 43 0.891 -6.652 4.229 1.00 73.11 H new ATOM 0 HG13 ILE A 43 -0.464 -7.639 4.738 1.00 73.11 H new ATOM 0 HG21 ILE A 43 -0.072 -3.888 4.915 1.00 52.41 H new ATOM 0 HG22 ILE A 43 0.257 -3.847 6.663 1.00 52.41 H new ATOM 0 HG23 ILE A 43 1.472 -4.508 5.544 1.00 52.41 H new ATOM 0 HD11 ILE A 43 -0.878 -6.651 2.535 1.00 42.43 H new ATOM 0 HD12 ILE A 43 -2.040 -6.021 3.727 1.00 42.43 H new ATOM 0 HD13 ILE A 43 -0.663 -5.019 3.210 1.00 42.43 H new ATOM 692 N ILE A 44 -0.772 -5.432 8.767 1.00 71.00 N ATOM 693 CA ILE A 44 -1.067 -4.499 9.845 1.00 51.40 C ATOM 694 C ILE A 44 -0.568 -5.040 11.192 1.00 41.32 C ATOM 695 O ILE A 44 -0.109 -4.267 12.029 1.00 54.43 O ATOM 696 CB ILE A 44 -2.614 -4.219 9.839 1.00 72.52 C ATOM 697 CG1 ILE A 44 -2.987 -3.486 8.503 1.00 12.33 C ATOM 698 CG2 ILE A 44 -3.077 -3.421 11.081 1.00 4.14 C ATOM 699 CD1 ILE A 44 -4.459 -3.268 8.288 1.00 73.53 C ATOM 0 H ILE A 44 -1.613 -5.830 8.350 1.00 71.00 H new ATOM 0 HA ILE A 44 -0.540 -3.557 9.691 1.00 51.40 H new ATOM 0 HB ILE A 44 -3.143 -5.171 9.892 1.00 72.52 H new ATOM 0 HG12 ILE A 44 -2.485 -2.519 8.484 1.00 12.33 H new ATOM 0 HG13 ILE A 44 -2.595 -4.065 7.667 1.00 12.33 H new ATOM 0 HG21 ILE A 44 -4.153 -3.255 11.027 1.00 4.14 H new ATOM 0 HG22 ILE A 44 -2.842 -3.985 11.984 1.00 4.14 H new ATOM 0 HG23 ILE A 44 -2.563 -2.460 11.109 1.00 4.14 H new ATOM 0 HD11 ILE A 44 -4.616 -2.755 7.339 1.00 73.53 H new ATOM 0 HD12 ILE A 44 -4.970 -4.230 8.269 1.00 73.53 H new ATOM 0 HD13 ILE A 44 -4.859 -2.660 9.100 1.00 73.53 H new ATOM 711 N LYS A 45 -0.594 -6.382 11.343 1.00 54.30 N ATOM 712 CA LYS A 45 -0.122 -7.069 12.562 1.00 65.20 C ATOM 713 C LYS A 45 1.399 -6.865 12.741 1.00 72.02 C ATOM 714 O LYS A 45 1.888 -6.681 13.859 1.00 22.12 O ATOM 715 CB LYS A 45 -0.493 -8.583 12.514 1.00 33.11 C ATOM 716 CG LYS A 45 -0.882 -9.197 13.873 1.00 4.14 C ATOM 717 CD LYS A 45 -1.453 -10.631 13.759 1.00 43.21 C ATOM 718 CE LYS A 45 -0.513 -11.618 13.048 1.00 20.34 C ATOM 719 NZ LYS A 45 0.794 -11.769 13.738 1.00 44.45 N ATOM 0 H LYS A 45 -0.942 -7.017 10.625 1.00 54.30 H new ATOM 0 HA LYS A 45 -0.621 -6.632 13.427 1.00 65.20 H new ATOM 0 HB2 LYS A 45 -1.323 -8.717 11.820 1.00 33.11 H new ATOM 0 HB3 LYS A 45 0.354 -9.137 12.110 1.00 33.11 H new ATOM 0 HG2 LYS A 45 -0.005 -9.214 14.520 1.00 4.14 H new ATOM 0 HG3 LYS A 45 -1.621 -8.557 14.354 1.00 4.14 H new ATOM 0 HD2 LYS A 45 -1.670 -11.006 14.759 1.00 43.21 H new ATOM 0 HD3 LYS A 45 -2.400 -10.593 13.220 1.00 43.21 H new ATOM 0 HE2 LYS A 45 -0.999 -12.592 12.983 1.00 20.34 H new ATOM 0 HE3 LYS A 45 -0.342 -11.278 12.027 1.00 20.34 H new ATOM 0 HZ1 LYS A 45 1.386 -12.445 13.215 1.00 44.45 H new ATOM 0 HZ2 LYS A 45 1.274 -10.847 13.778 1.00 44.45 H new ATOM 0 HZ3 LYS A 45 0.638 -12.120 14.704 1.00 44.45 H new ATOM 733 N SER A 46 2.123 -6.860 11.600 1.00 20.53 N ATOM 734 CA SER A 46 3.561 -6.555 11.551 1.00 20.03 C ATOM 735 C SER A 46 3.794 -5.056 11.838 1.00 34.51 C ATOM 736 O SER A 46 4.741 -4.687 12.546 1.00 30.43 O ATOM 737 CB SER A 46 4.132 -6.949 10.160 1.00 13.34 C ATOM 738 OG SER A 46 5.534 -6.746 10.086 1.00 45.21 O ATOM 0 H SER A 46 1.720 -7.069 10.686 1.00 20.53 H new ATOM 0 HA SER A 46 4.081 -7.132 12.316 1.00 20.03 H new ATOM 0 HB2 SER A 46 3.906 -7.996 9.958 1.00 13.34 H new ATOM 0 HB3 SER A 46 3.639 -6.361 9.386 1.00 13.34 H new ATOM 0 HG SER A 46 5.856 -7.006 9.198 1.00 45.21 H new ATOM 744 N MET A 47 2.871 -4.205 11.329 1.00 2.21 N ATOM 745 CA MET A 47 2.986 -2.732 11.425 1.00 41.23 C ATOM 746 C MET A 47 2.595 -2.190 12.821 1.00 72.35 C ATOM 747 O MET A 47 2.861 -1.020 13.117 1.00 30.00 O ATOM 748 CB MET A 47 2.147 -2.039 10.319 1.00 30.20 C ATOM 749 CG MET A 47 2.616 -2.335 8.887 1.00 41.35 C ATOM 750 SD MET A 47 4.325 -1.827 8.569 1.00 34.44 S ATOM 751 CE MET A 47 4.242 -0.042 8.768 1.00 63.32 C ATOM 0 H MET A 47 2.031 -4.519 10.843 1.00 2.21 H new ATOM 0 HA MET A 47 4.039 -2.493 11.275 1.00 41.23 H new ATOM 0 HB2 MET A 47 1.107 -2.351 10.420 1.00 30.20 H new ATOM 0 HB3 MET A 47 2.174 -0.962 10.481 1.00 30.20 H new ATOM 0 HG2 MET A 47 2.521 -3.404 8.695 1.00 41.35 H new ATOM 0 HG3 MET A 47 1.957 -1.825 8.184 1.00 41.35 H new ATOM 0 HE1 MET A 47 4.910 0.435 8.051 1.00 63.32 H new ATOM 0 HE2 MET A 47 3.221 0.296 8.594 1.00 63.32 H new ATOM 0 HE3 MET A 47 4.545 0.226 9.780 1.00 63.32 H new ATOM 761 N LYS A 48 1.947 -3.037 13.649 1.00 3.43 N ATOM 762 CA LYS A 48 1.545 -2.689 15.035 1.00 55.20 C ATOM 763 C LYS A 48 2.756 -2.337 15.908 1.00 20.44 C ATOM 764 O LYS A 48 2.822 -1.261 16.518 1.00 30.23 O ATOM 765 CB LYS A 48 0.786 -3.874 15.703 1.00 44.51 C ATOM 766 CG LYS A 48 -0.587 -4.198 15.098 1.00 52.10 C ATOM 767 CD LYS A 48 -1.259 -5.439 15.737 1.00 13.32 C ATOM 768 CE LYS A 48 -1.432 -5.322 17.261 1.00 55.15 C ATOM 769 NZ LYS A 48 -2.270 -4.155 17.644 1.00 32.41 N ATOM 0 H LYS A 48 1.686 -3.985 13.377 1.00 3.43 H new ATOM 0 HA LYS A 48 0.893 -1.818 14.962 1.00 55.20 H new ATOM 0 HB2 LYS A 48 1.411 -4.765 15.642 1.00 44.51 H new ATOM 0 HB3 LYS A 48 0.654 -3.649 16.761 1.00 44.51 H new ATOM 0 HG2 LYS A 48 -1.243 -3.336 15.219 1.00 52.10 H new ATOM 0 HG3 LYS A 48 -0.474 -4.365 14.027 1.00 52.10 H new ATOM 0 HD2 LYS A 48 -2.236 -5.591 15.278 1.00 13.32 H new ATOM 0 HD3 LYS A 48 -0.661 -6.323 15.513 1.00 13.32 H new ATOM 0 HE2 LYS A 48 -1.887 -6.235 17.644 1.00 55.15 H new ATOM 0 HE3 LYS A 48 -0.452 -5.233 17.730 1.00 55.15 H new ATOM 0 HZ1 LYS A 48 -2.221 -4.015 18.673 1.00 32.41 H new ATOM 0 HZ2 LYS A 48 -1.919 -3.303 17.162 1.00 32.41 H new ATOM 0 HZ3 LYS A 48 -3.257 -4.329 17.365 1.00 32.41 H new ATOM 816 N LYS A 52 8.184 1.561 11.045 1.00 25.14 N ATOM 817 CA LYS A 52 8.784 1.715 9.702 1.00 32.02 C ATOM 818 C LYS A 52 7.769 2.352 8.720 1.00 72.14 C ATOM 819 O LYS A 52 6.581 2.473 9.051 1.00 11.01 O ATOM 820 CB LYS A 52 9.246 0.319 9.169 1.00 55.31 C ATOM 821 CG LYS A 52 8.097 -0.624 8.733 1.00 61.24 C ATOM 822 CD LYS A 52 8.584 -1.997 8.208 1.00 14.14 C ATOM 823 CE LYS A 52 9.340 -2.809 9.270 1.00 22.55 C ATOM 824 NZ LYS A 52 9.651 -4.189 8.809 1.00 53.30 N ATOM 0 HA LYS A 52 9.648 2.376 9.777 1.00 32.02 H new ATOM 0 HB2 LYS A 52 9.913 0.473 8.320 1.00 55.31 H new ATOM 0 HB3 LYS A 52 9.828 -0.176 9.946 1.00 55.31 H new ATOM 0 HG2 LYS A 52 7.430 -0.785 9.580 1.00 61.24 H new ATOM 0 HG3 LYS A 52 7.512 -0.134 7.955 1.00 61.24 H new ATOM 0 HD2 LYS A 52 7.726 -2.573 7.861 1.00 14.14 H new ATOM 0 HD3 LYS A 52 9.233 -1.841 7.347 1.00 14.14 H new ATOM 0 HE2 LYS A 52 10.267 -2.296 9.525 1.00 22.55 H new ATOM 0 HE3 LYS A 52 8.742 -2.858 10.180 1.00 22.55 H new ATOM 0 HZ1 LYS A 52 10.161 -4.699 9.558 1.00 53.30 H new ATOM 0 HZ2 LYS A 52 8.766 -4.690 8.590 1.00 53.30 H new ATOM 0 HZ3 LYS A 52 10.244 -4.145 7.955 1.00 53.30 H new ATOM 838 N PRO A 53 8.220 2.788 7.502 1.00 74.51 N ATOM 839 CA PRO A 53 7.307 3.034 6.366 1.00 51.44 C ATOM 840 C PRO A 53 6.952 1.720 5.638 1.00 42.01 C ATOM 841 O PRO A 53 7.650 0.704 5.775 1.00 15.24 O ATOM 842 CB PRO A 53 8.137 3.957 5.460 1.00 61.45 C ATOM 843 CG PRO A 53 9.530 3.457 5.657 1.00 41.03 C ATOM 844 CD PRO A 53 9.630 3.138 7.137 1.00 21.22 C ATOM 0 HA PRO A 53 6.352 3.464 6.667 1.00 51.44 H new ATOM 0 HB2 PRO A 53 7.826 3.885 4.418 1.00 61.45 H new ATOM 0 HB3 PRO A 53 8.039 5.003 5.751 1.00 61.45 H new ATOM 0 HG2 PRO A 53 9.721 2.572 5.049 1.00 41.03 H new ATOM 0 HG3 PRO A 53 10.264 4.209 5.365 1.00 41.03 H new ATOM 0 HD2 PRO A 53 10.313 2.310 7.326 1.00 21.22 H new ATOM 0 HD3 PRO A 53 9.996 3.990 7.710 1.00 21.22 H new ATOM 852 N LEU A 54 5.892 1.767 4.839 1.00 13.43 N ATOM 853 CA LEU A 54 5.429 0.622 4.054 1.00 31.43 C ATOM 854 C LEU A 54 4.602 1.147 2.877 1.00 73.24 C ATOM 855 O LEU A 54 4.210 2.313 2.867 1.00 11.22 O ATOM 856 CB LEU A 54 4.596 -0.352 4.942 1.00 63.33 C ATOM 857 CG LEU A 54 4.498 -1.824 4.423 1.00 52.10 C ATOM 858 CD1 LEU A 54 5.863 -2.541 4.521 1.00 12.32 C ATOM 859 CD2 LEU A 54 3.399 -2.607 5.155 1.00 65.03 C ATOM 0 H LEU A 54 5.324 2.605 4.715 1.00 13.43 H new ATOM 0 HA LEU A 54 6.282 0.059 3.675 1.00 31.43 H new ATOM 0 HB2 LEU A 54 5.031 -0.366 5.941 1.00 63.33 H new ATOM 0 HB3 LEU A 54 3.587 0.048 5.040 1.00 63.33 H new ATOM 0 HG LEU A 54 4.220 -1.784 3.370 1.00 52.10 H new ATOM 0 HD11 LEU A 54 5.765 -3.562 4.153 1.00 12.32 H new ATOM 0 HD12 LEU A 54 6.598 -2.008 3.918 1.00 12.32 H new ATOM 0 HD13 LEU A 54 6.190 -2.559 5.560 1.00 12.32 H new ATOM 0 HD21 LEU A 54 3.359 -3.626 4.769 1.00 65.03 H new ATOM 0 HD22 LEU A 54 3.619 -2.632 6.222 1.00 65.03 H new ATOM 0 HD23 LEU A 54 2.437 -2.120 4.994 1.00 65.03 H new ATOM 871 N VAL A 55 4.329 0.285 1.896 1.00 43.42 N ATOM 872 CA VAL A 55 3.553 0.634 0.693 1.00 11.50 C ATOM 873 C VAL A 55 2.701 -0.581 0.314 1.00 21.31 C ATOM 874 O VAL A 55 3.234 -1.577 -0.178 1.00 13.03 O ATOM 875 CB VAL A 55 4.460 1.049 -0.538 1.00 3.44 C ATOM 876 CG1 VAL A 55 3.595 1.337 -1.781 1.00 33.35 C ATOM 877 CG2 VAL A 55 5.367 2.264 -0.218 1.00 12.22 C ATOM 0 H VAL A 55 4.641 -0.686 1.909 1.00 43.42 H new ATOM 0 HA VAL A 55 2.939 1.503 0.928 1.00 11.50 H new ATOM 0 HB VAL A 55 5.114 0.203 -0.749 1.00 3.44 H new ATOM 0 HG11 VAL A 55 4.238 1.620 -2.614 1.00 33.35 H new ATOM 0 HG12 VAL A 55 3.030 0.443 -2.046 1.00 33.35 H new ATOM 0 HG13 VAL A 55 2.904 2.152 -1.563 1.00 33.35 H new ATOM 0 HG21 VAL A 55 5.969 2.509 -1.093 1.00 12.22 H new ATOM 0 HG22 VAL A 55 4.747 3.120 0.048 1.00 12.22 H new ATOM 0 HG23 VAL A 55 6.024 2.018 0.617 1.00 12.22 H new ATOM 887 N VAL A 56 1.389 -0.516 0.582 1.00 5.25 N ATOM 888 CA VAL A 56 0.458 -1.613 0.274 1.00 22.13 C ATOM 889 C VAL A 56 -0.342 -1.302 -1.003 1.00 22.34 C ATOM 890 O VAL A 56 -1.199 -0.416 -1.017 1.00 1.33 O ATOM 891 CB VAL A 56 -0.489 -1.931 1.494 1.00 60.23 C ATOM 892 CG1 VAL A 56 -1.615 -2.930 1.121 1.00 12.41 C ATOM 893 CG2 VAL A 56 0.342 -2.474 2.678 1.00 71.22 C ATOM 0 H VAL A 56 0.944 0.293 1.016 1.00 5.25 H new ATOM 0 HA VAL A 56 1.046 -2.512 0.089 1.00 22.13 H new ATOM 0 HB VAL A 56 -0.973 -0.999 1.785 1.00 60.23 H new ATOM 0 HG11 VAL A 56 -2.240 -3.117 1.994 1.00 12.41 H new ATOM 0 HG12 VAL A 56 -2.225 -2.509 0.322 1.00 12.41 H new ATOM 0 HG13 VAL A 56 -1.173 -3.868 0.784 1.00 12.41 H new ATOM 0 HG21 VAL A 56 -0.319 -2.691 3.517 1.00 71.22 H new ATOM 0 HG22 VAL A 56 0.855 -3.387 2.374 1.00 71.22 H new ATOM 0 HG23 VAL A 56 1.077 -1.728 2.979 1.00 71.22 H new ATOM 903 N PHE A 57 -0.027 -2.054 -2.063 1.00 12.44 N ATOM 904 CA PHE A 57 -0.745 -2.023 -3.338 1.00 50.15 C ATOM 905 C PHE A 57 -1.968 -2.947 -3.223 1.00 52.12 C ATOM 906 O PHE A 57 -1.818 -4.121 -2.875 1.00 60.00 O ATOM 907 CB PHE A 57 0.176 -2.532 -4.479 1.00 43.11 C ATOM 908 CG PHE A 57 1.353 -1.630 -4.828 1.00 53.21 C ATOM 909 CD1 PHE A 57 2.572 -1.733 -4.157 1.00 53.14 C ATOM 910 CD2 PHE A 57 1.237 -0.674 -5.833 1.00 30.34 C ATOM 911 CE1 PHE A 57 3.630 -0.905 -4.484 1.00 72.21 C ATOM 912 CE2 PHE A 57 2.294 0.149 -6.152 1.00 10.21 C ATOM 913 CZ PHE A 57 3.491 0.036 -5.478 1.00 15.55 C ATOM 0 H PHE A 57 0.750 -2.714 -2.057 1.00 12.44 H new ATOM 0 HA PHE A 57 -1.055 -1.003 -3.564 1.00 50.15 H new ATOM 0 HB2 PHE A 57 0.563 -3.512 -4.199 1.00 43.11 H new ATOM 0 HB3 PHE A 57 -0.429 -2.672 -5.375 1.00 43.11 H new ATOM 0 HD1 PHE A 57 2.690 -2.467 -3.374 1.00 53.14 H new ATOM 0 HD2 PHE A 57 0.305 -0.576 -6.370 1.00 30.34 H new ATOM 0 HE1 PHE A 57 4.568 -0.997 -3.957 1.00 72.21 H new ATOM 0 HE2 PHE A 57 2.185 0.886 -6.934 1.00 10.21 H new ATOM 0 HZ PHE A 57 4.317 0.684 -5.729 1.00 15.55 H new ATOM 923 N VAL A 58 -3.168 -2.425 -3.502 1.00 51.24 N ATOM 924 CA VAL A 58 -4.395 -3.241 -3.509 1.00 52.15 C ATOM 925 C VAL A 58 -4.465 -3.984 -4.862 1.00 22.23 C ATOM 926 O VAL A 58 -5.113 -3.540 -5.815 1.00 31.31 O ATOM 927 CB VAL A 58 -5.673 -2.346 -3.245 1.00 33.14 C ATOM 928 CG1 VAL A 58 -6.978 -3.181 -3.211 1.00 22.03 C ATOM 929 CG2 VAL A 58 -5.501 -1.537 -1.938 1.00 23.14 C ATOM 0 H VAL A 58 -3.319 -1.442 -3.726 1.00 51.24 H new ATOM 0 HA VAL A 58 -4.372 -3.973 -2.702 1.00 52.15 H new ATOM 0 HB VAL A 58 -5.765 -1.652 -4.081 1.00 33.14 H new ATOM 0 HG11 VAL A 58 -7.827 -2.522 -3.027 1.00 22.03 H new ATOM 0 HG12 VAL A 58 -7.112 -3.686 -4.167 1.00 22.03 H new ATOM 0 HG13 VAL A 58 -6.915 -3.922 -2.415 1.00 22.03 H new ATOM 0 HG21 VAL A 58 -6.388 -0.926 -1.769 1.00 23.14 H new ATOM 0 HG22 VAL A 58 -5.368 -2.222 -1.101 1.00 23.14 H new ATOM 0 HG23 VAL A 58 -4.626 -0.892 -2.022 1.00 23.14 H new ATOM 939 N ASN A 59 -3.732 -5.109 -4.930 1.00 64.23 N ATOM 940 CA ASN A 59 -3.522 -5.894 -6.164 1.00 4.22 C ATOM 941 C ASN A 59 -4.545 -7.034 -6.244 1.00 23.23 C ATOM 942 O ASN A 59 -4.424 -8.037 -5.532 1.00 51.32 O ATOM 943 CB ASN A 59 -2.064 -6.446 -6.169 1.00 44.31 C ATOM 944 CG ASN A 59 -1.676 -7.274 -7.407 1.00 15.12 C ATOM 945 OD1 ASN A 59 -2.156 -7.041 -8.511 1.00 41.21 O ATOM 946 ND2 ASN A 59 -0.797 -8.251 -7.223 1.00 52.52 N ATOM 0 H ASN A 59 -3.260 -5.507 -4.118 1.00 64.23 H new ATOM 0 HA ASN A 59 -3.663 -5.259 -7.039 1.00 4.22 H new ATOM 0 HB2 ASN A 59 -1.375 -5.606 -6.084 1.00 44.31 H new ATOM 0 HB3 ASN A 59 -1.924 -7.063 -5.282 1.00 44.31 H new ATOM 0 HD21 ASN A 59 -0.505 -8.830 -8.011 1.00 52.52 H new ATOM 0 HD22 ASN A 59 -0.413 -8.423 -6.294 1.00 52.52 H new ATOM 953 N GLY A 60 -5.562 -6.850 -7.108 1.00 14.31 N ATOM 954 CA GLY A 60 -6.603 -7.855 -7.327 1.00 0.01 C ATOM 955 C GLY A 60 -7.580 -7.943 -6.166 1.00 33.23 C ATOM 956 O GLY A 60 -7.805 -9.025 -5.609 1.00 20.31 O ATOM 0 H GLY A 60 -5.679 -6.005 -7.667 1.00 14.31 H new ATOM 0 HA2 GLY A 60 -7.149 -7.615 -8.240 1.00 0.01 H new ATOM 0 HA3 GLY A 60 -6.137 -8.828 -7.480 1.00 0.01 H new ATOM 960 N ALA A 61 -8.148 -6.788 -5.806 1.00 41.42 N ATOM 961 CA ALA A 61 -9.124 -6.667 -4.714 1.00 64.45 C ATOM 962 C ALA A 61 -10.030 -5.450 -4.942 1.00 74.22 C ATOM 963 O ALA A 61 -9.944 -4.794 -5.990 1.00 20.33 O ATOM 964 CB ALA A 61 -8.389 -6.592 -3.371 1.00 72.14 C ATOM 0 H ALA A 61 -7.943 -5.902 -6.267 1.00 41.42 H new ATOM 0 HA ALA A 61 -9.765 -7.548 -4.696 1.00 64.45 H new ATOM 0 HB1 ALA A 61 -9.115 -6.502 -2.563 1.00 72.14 H new ATOM 0 HB2 ALA A 61 -7.798 -7.497 -3.229 1.00 72.14 H new ATOM 0 HB3 ALA A 61 -7.730 -5.724 -3.365 1.00 72.14 H new ATOM 970 N SER A 62 -10.883 -5.146 -3.951 1.00 55.55 N ATOM 971 CA SER A 62 -11.944 -4.140 -4.081 1.00 52.21 C ATOM 972 C SER A 62 -11.894 -3.139 -2.901 1.00 61.22 C ATOM 973 O SER A 62 -10.980 -3.187 -2.063 1.00 22.53 O ATOM 974 CB SER A 62 -13.307 -4.878 -4.158 1.00 3.23 C ATOM 975 OG SER A 62 -14.352 -4.001 -4.548 1.00 14.42 O ATOM 0 H SER A 62 -10.854 -5.594 -3.035 1.00 55.55 H new ATOM 0 HA SER A 62 -11.804 -3.556 -4.991 1.00 52.21 H new ATOM 0 HB2 SER A 62 -13.237 -5.701 -4.869 1.00 3.23 H new ATOM 0 HB3 SER A 62 -13.541 -5.315 -3.187 1.00 3.23 H new ATOM 0 HG SER A 62 -15.197 -4.496 -4.589 1.00 14.42 H new ATOM 981 N GLN A 63 -12.901 -2.233 -2.844 1.00 72.55 N ATOM 982 CA GLN A 63 -13.048 -1.230 -1.772 1.00 61.41 C ATOM 983 C GLN A 63 -13.372 -1.921 -0.437 1.00 52.32 C ATOM 984 O GLN A 63 -13.122 -1.362 0.619 1.00 42.21 O ATOM 985 CB GLN A 63 -14.137 -0.172 -2.142 1.00 75.40 C ATOM 986 CG GLN A 63 -14.263 1.013 -1.149 1.00 4.33 C ATOM 987 CD GLN A 63 -12.993 1.867 -1.020 1.00 22.53 C ATOM 988 OE1 GLN A 63 -12.225 2.036 -1.971 1.00 3.52 O ATOM 989 NE2 GLN A 63 -12.750 2.394 0.169 1.00 24.22 N ATOM 0 H GLN A 63 -13.637 -2.181 -3.548 1.00 72.55 H new ATOM 0 HA GLN A 63 -12.102 -0.700 -1.661 1.00 61.41 H new ATOM 0 HB2 GLN A 63 -13.915 0.225 -3.132 1.00 75.40 H new ATOM 0 HB3 GLN A 63 -15.102 -0.674 -2.209 1.00 75.40 H new ATOM 0 HG2 GLN A 63 -15.086 1.653 -1.467 1.00 4.33 H new ATOM 0 HG3 GLN A 63 -14.525 0.622 -0.166 1.00 4.33 H new ATOM 0 HE21 GLN A 63 -13.401 2.239 0.938 1.00 24.22 H new ATOM 0 HE22 GLN A 63 -11.911 2.955 0.316 1.00 24.22 H new ATOM 998 N ASN A 64 -13.916 -3.155 -0.521 1.00 30.21 N ATOM 999 CA ASN A 64 -14.062 -4.067 0.633 1.00 54.30 C ATOM 1000 C ASN A 64 -12.701 -4.233 1.350 1.00 44.02 C ATOM 1001 O ASN A 64 -12.588 -3.970 2.541 1.00 60.13 O ATOM 1002 CB ASN A 64 -14.565 -5.460 0.168 1.00 31.12 C ATOM 1003 CG ASN A 64 -15.872 -5.394 -0.629 1.00 64.23 C ATOM 1004 OD1 ASN A 64 -15.853 -5.241 -1.853 1.00 35.11 O ATOM 1005 ND2 ASN A 64 -17.007 -5.513 0.046 1.00 72.44 N ATOM 0 H ASN A 64 -14.267 -3.547 -1.395 1.00 30.21 H new ATOM 0 HA ASN A 64 -14.790 -3.636 1.320 1.00 54.30 H new ATOM 0 HB2 ASN A 64 -13.796 -5.931 -0.445 1.00 31.12 H new ATOM 0 HB3 ASN A 64 -14.711 -6.097 1.041 1.00 31.12 H new ATOM 0 HD21 ASN A 64 -17.899 -5.479 -0.447 1.00 72.44 H new ATOM 0 HD22 ASN A 64 -16.988 -5.638 1.058 1.00 72.44 H new ATOM 1012 N ASP A 65 -11.670 -4.580 0.549 1.00 22.22 N ATOM 1013 CA ASP A 65 -10.277 -4.800 1.015 1.00 33.12 C ATOM 1014 C ASP A 65 -9.679 -3.497 1.574 1.00 32.04 C ATOM 1015 O ASP A 65 -9.061 -3.489 2.645 1.00 74.12 O ATOM 1016 CB ASP A 65 -9.426 -5.331 -0.172 1.00 51.11 C ATOM 1017 CG ASP A 65 -7.931 -5.567 0.127 1.00 11.24 C ATOM 1018 OD1 ASP A 65 -7.129 -4.619 0.005 1.00 34.00 O ATOM 1019 OD2 ASP A 65 -7.557 -6.728 0.435 1.00 41.24 O ATOM 0 H ASP A 65 -11.781 -4.718 -0.456 1.00 22.22 H new ATOM 0 HA ASP A 65 -10.275 -5.536 1.819 1.00 33.12 H new ATOM 0 HB2 ASP A 65 -9.861 -6.270 -0.515 1.00 51.11 H new ATOM 0 HB3 ASP A 65 -9.505 -4.623 -0.997 1.00 51.11 H new ATOM 1024 N VAL A 66 -9.929 -2.395 0.845 1.00 63.12 N ATOM 1025 CA VAL A 66 -9.469 -1.044 1.217 1.00 71.10 C ATOM 1026 C VAL A 66 -10.027 -0.629 2.601 1.00 4.35 C ATOM 1027 O VAL A 66 -9.284 -0.110 3.447 1.00 10.33 O ATOM 1028 CB VAL A 66 -9.892 0.000 0.120 1.00 52.42 C ATOM 1029 CG1 VAL A 66 -9.558 1.448 0.541 1.00 3.30 C ATOM 1030 CG2 VAL A 66 -9.250 -0.350 -1.248 1.00 1.54 C ATOM 0 H VAL A 66 -10.460 -2.416 -0.026 1.00 63.12 H new ATOM 0 HA VAL A 66 -8.381 -1.062 1.282 1.00 71.10 H new ATOM 0 HB VAL A 66 -10.975 -0.058 0.014 1.00 52.42 H new ATOM 0 HG11 VAL A 66 -9.867 2.136 -0.246 1.00 3.30 H new ATOM 0 HG12 VAL A 66 -10.087 1.690 1.463 1.00 3.30 H new ATOM 0 HG13 VAL A 66 -8.484 1.541 0.703 1.00 3.30 H new ATOM 0 HG21 VAL A 66 -9.556 0.385 -1.992 1.00 1.54 H new ATOM 0 HG22 VAL A 66 -8.164 -0.340 -1.153 1.00 1.54 H new ATOM 0 HG23 VAL A 66 -9.578 -1.341 -1.561 1.00 1.54 H new ATOM 1040 N ASN A 67 -11.331 -0.911 2.825 1.00 14.21 N ATOM 1041 CA ASN A 67 -12.032 -0.568 4.084 1.00 21.04 C ATOM 1042 C ASN A 67 -11.472 -1.380 5.249 1.00 21.11 C ATOM 1043 O ASN A 67 -11.186 -0.813 6.303 1.00 44.24 O ATOM 1044 CB ASN A 67 -13.566 -0.804 3.988 1.00 53.03 C ATOM 1045 CG ASN A 67 -14.276 0.100 2.984 1.00 15.22 C ATOM 1046 OD1 ASN A 67 -13.856 1.230 2.716 1.00 34.12 O ATOM 1047 ND2 ASN A 67 -15.369 -0.395 2.431 1.00 65.52 N ATOM 0 H ASN A 67 -11.925 -1.381 2.141 1.00 14.21 H new ATOM 0 HA ASN A 67 -11.862 0.495 4.256 1.00 21.04 H new ATOM 0 HB2 ASN A 67 -13.746 -1.844 3.715 1.00 53.03 H new ATOM 0 HB3 ASN A 67 -14.008 -0.652 4.973 1.00 53.03 H new ATOM 0 HD21 ASN A 67 -15.897 0.161 1.758 1.00 65.52 H new ATOM 0 HD22 ASN A 67 -15.685 -1.333 2.677 1.00 65.52 H new ATOM 1054 N GLU A 68 -11.300 -2.707 5.036 1.00 42.34 N ATOM 1055 CA GLU A 68 -10.785 -3.615 6.076 1.00 1.14 C ATOM 1056 C GLU A 68 -9.369 -3.197 6.499 1.00 61.10 C ATOM 1057 O GLU A 68 -9.032 -3.259 7.678 1.00 51.11 O ATOM 1058 CB GLU A 68 -10.782 -5.099 5.615 1.00 2.30 C ATOM 1059 CG GLU A 68 -12.139 -5.653 5.136 1.00 34.44 C ATOM 1060 CD GLU A 68 -13.285 -5.478 6.149 1.00 54.04 C ATOM 1061 OE1 GLU A 68 -13.473 -6.368 7.005 1.00 10.53 O ATOM 1062 OE2 GLU A 68 -14.001 -4.449 6.094 1.00 64.00 O ATOM 0 H GLU A 68 -11.512 -3.167 4.151 1.00 42.34 H new ATOM 0 HA GLU A 68 -11.459 -3.537 6.929 1.00 1.14 H new ATOM 0 HB2 GLU A 68 -10.060 -5.207 4.806 1.00 2.30 H new ATOM 0 HB3 GLU A 68 -10.430 -5.716 6.441 1.00 2.30 H new ATOM 0 HG2 GLU A 68 -12.413 -5.157 4.205 1.00 34.44 H new ATOM 0 HG3 GLU A 68 -12.027 -6.714 4.911 1.00 34.44 H new ATOM 1069 N PHE A 69 -8.569 -2.733 5.511 1.00 5.54 N ATOM 1070 CA PHE A 69 -7.211 -2.231 5.759 1.00 50.21 C ATOM 1071 C PHE A 69 -7.257 -1.005 6.693 1.00 12.43 C ATOM 1072 O PHE A 69 -6.538 -0.954 7.683 1.00 24.32 O ATOM 1073 CB PHE A 69 -6.481 -1.879 4.431 1.00 32.50 C ATOM 1074 CG PHE A 69 -5.008 -1.496 4.628 1.00 42.41 C ATOM 1075 CD1 PHE A 69 -4.015 -2.476 4.665 1.00 73.02 C ATOM 1076 CD2 PHE A 69 -4.618 -0.158 4.800 1.00 20.00 C ATOM 1077 CE1 PHE A 69 -2.691 -2.133 4.867 1.00 14.22 C ATOM 1078 CE2 PHE A 69 -3.295 0.177 4.997 1.00 51.13 C ATOM 1079 CZ PHE A 69 -2.335 -0.809 5.031 1.00 65.52 C ATOM 0 H PHE A 69 -8.850 -2.699 4.531 1.00 5.54 H new ATOM 0 HA PHE A 69 -6.644 -3.025 6.246 1.00 50.21 H new ATOM 0 HB2 PHE A 69 -6.540 -2.733 3.756 1.00 32.50 H new ATOM 0 HB3 PHE A 69 -7.002 -1.053 3.947 1.00 32.50 H new ATOM 0 HD1 PHE A 69 -4.284 -3.514 4.534 1.00 73.02 H new ATOM 0 HD2 PHE A 69 -5.366 0.621 4.778 1.00 20.00 H new ATOM 0 HE1 PHE A 69 -1.934 -2.902 4.897 1.00 14.22 H new ATOM 0 HE2 PHE A 69 -3.012 1.212 5.124 1.00 51.13 H new ATOM 0 HZ PHE A 69 -1.299 -0.546 5.187 1.00 65.52 H new ATOM 1089 N GLN A 70 -8.120 -0.035 6.348 1.00 22.44 N ATOM 1090 CA GLN A 70 -8.316 1.203 7.132 1.00 22.12 C ATOM 1091 C GLN A 70 -8.789 0.928 8.579 1.00 70.51 C ATOM 1092 O GLN A 70 -8.242 1.513 9.528 1.00 21.33 O ATOM 1093 CB GLN A 70 -9.310 2.138 6.398 1.00 63.30 C ATOM 1094 CG GLN A 70 -8.795 2.612 5.024 1.00 54.12 C ATOM 1095 CD GLN A 70 -9.719 3.609 4.332 1.00 23.42 C ATOM 1096 OE1 GLN A 70 -10.437 4.369 4.985 1.00 32.50 O ATOM 1097 NE2 GLN A 70 -9.674 3.649 3.014 1.00 74.55 N ATOM 0 H GLN A 70 -8.705 -0.085 5.514 1.00 22.44 H new ATOM 0 HA GLN A 70 -7.346 1.693 7.214 1.00 22.12 H new ATOM 0 HB2 GLN A 70 -10.258 1.617 6.264 1.00 63.30 H new ATOM 0 HB3 GLN A 70 -9.511 3.008 7.024 1.00 63.30 H new ATOM 0 HG2 GLN A 70 -7.813 3.068 5.152 1.00 54.12 H new ATOM 0 HG3 GLN A 70 -8.662 1.745 4.377 1.00 54.12 H new ATOM 0 HE21 GLN A 70 -9.069 3.005 2.505 1.00 74.55 H new ATOM 0 HE22 GLN A 70 -10.245 4.324 2.504 1.00 74.55 H new ATOM 1106 N ASN A 71 -9.781 0.015 8.716 1.00 53.23 N ATOM 1107 CA ASN A 71 -10.384 -0.361 10.017 1.00 54.25 C ATOM 1108 C ASN A 71 -9.318 -0.971 10.930 1.00 54.00 C ATOM 1109 O ASN A 71 -9.019 -0.430 12.011 1.00 33.53 O ATOM 1110 CB ASN A 71 -11.554 -1.382 9.824 1.00 62.13 C ATOM 1111 CG ASN A 71 -12.727 -0.847 8.998 1.00 20.13 C ATOM 1112 OD1 ASN A 71 -13.067 0.334 9.062 1.00 10.55 O ATOM 1113 ND2 ASN A 71 -13.336 -1.709 8.198 1.00 24.34 N ATOM 0 H ASN A 71 -10.187 -0.483 7.924 1.00 53.23 H new ATOM 0 HA ASN A 71 -10.787 0.542 10.475 1.00 54.25 H new ATOM 0 HB2 ASN A 71 -11.163 -2.278 9.341 1.00 62.13 H new ATOM 0 HB3 ASN A 71 -11.923 -1.684 10.804 1.00 62.13 H new ATOM 0 HD21 ASN A 71 -14.111 -1.400 7.611 1.00 24.34 H new ATOM 0 HD22 ASN A 71 -13.030 -2.681 8.168 1.00 24.34 H new ATOM 1120 N GLU A 72 -8.734 -2.095 10.457 1.00 74.51 N ATOM 1121 CA GLU A 72 -7.701 -2.831 11.192 1.00 13.13 C ATOM 1122 C GLU A 72 -6.484 -1.951 11.516 1.00 11.22 C ATOM 1123 O GLU A 72 -5.975 -2.020 12.629 1.00 14.24 O ATOM 1124 CB GLU A 72 -7.275 -4.119 10.439 1.00 41.32 C ATOM 1125 CG GLU A 72 -8.437 -5.084 10.111 1.00 13.03 C ATOM 1126 CD GLU A 72 -9.333 -5.421 11.316 1.00 71.54 C ATOM 1127 OE1 GLU A 72 -8.903 -6.206 12.182 1.00 60.22 O ATOM 1128 OE2 GLU A 72 -10.478 -4.913 11.394 1.00 14.53 O ATOM 0 H GLU A 72 -8.971 -2.510 9.556 1.00 74.51 H new ATOM 0 HA GLU A 72 -8.144 -3.131 12.142 1.00 13.13 H new ATOM 0 HB2 GLU A 72 -6.782 -3.835 9.509 1.00 41.32 H new ATOM 0 HB3 GLU A 72 -6.538 -4.650 11.041 1.00 41.32 H new ATOM 0 HG2 GLU A 72 -9.052 -4.642 9.327 1.00 13.03 H new ATOM 0 HG3 GLU A 72 -8.024 -6.009 9.709 1.00 13.03 H new ATOM 1135 N ALA A 73 -6.049 -1.100 10.560 1.00 44.44 N ATOM 1136 CA ALA A 73 -4.920 -0.169 10.777 1.00 1.52 C ATOM 1137 C ALA A 73 -5.148 0.719 12.012 1.00 74.33 C ATOM 1138 O ALA A 73 -4.424 0.595 13.010 1.00 22.32 O ATOM 1139 CB ALA A 73 -4.660 0.690 9.522 1.00 5.21 C ATOM 0 H ALA A 73 -6.463 -1.039 9.630 1.00 44.44 H new ATOM 0 HA ALA A 73 -4.032 -0.772 10.965 1.00 1.52 H new ATOM 0 HB1 ALA A 73 -3.825 1.365 9.710 1.00 5.21 H new ATOM 0 HB2 ALA A 73 -4.419 0.041 8.680 1.00 5.21 H new ATOM 0 HB3 ALA A 73 -5.552 1.272 9.288 1.00 5.21 H new ATOM 1145 N LYS A 74 -6.208 1.542 11.966 1.00 10.10 N ATOM 1146 CA LYS A 74 -6.488 2.535 13.023 1.00 21.41 C ATOM 1147 C LYS A 74 -6.788 1.896 14.404 1.00 23.30 C ATOM 1148 O LYS A 74 -6.456 2.491 15.436 1.00 63.44 O ATOM 1149 CB LYS A 74 -7.636 3.488 12.597 1.00 12.22 C ATOM 1150 CG LYS A 74 -9.025 2.822 12.447 1.00 23.24 C ATOM 1151 CD LYS A 74 -10.104 3.792 11.914 1.00 41.42 C ATOM 1152 CE LYS A 74 -9.747 4.371 10.536 1.00 70.13 C ATOM 1153 NZ LYS A 74 -10.793 5.291 10.021 1.00 35.44 N ATOM 0 H LYS A 74 -6.889 1.541 11.207 1.00 10.10 H new ATOM 0 HA LYS A 74 -5.572 3.114 13.146 1.00 21.41 H new ATOM 0 HB2 LYS A 74 -7.713 4.289 13.332 1.00 12.22 H new ATOM 0 HB3 LYS A 74 -7.369 3.951 11.647 1.00 12.22 H new ATOM 0 HG2 LYS A 74 -8.943 1.971 11.771 1.00 23.24 H new ATOM 0 HG3 LYS A 74 -9.341 2.431 13.414 1.00 23.24 H new ATOM 0 HD2 LYS A 74 -11.058 3.269 11.848 1.00 41.42 H new ATOM 0 HD3 LYS A 74 -10.237 4.608 12.624 1.00 41.42 H new ATOM 0 HE2 LYS A 74 -8.799 4.904 10.603 1.00 70.13 H new ATOM 0 HE3 LYS A 74 -9.604 3.555 9.828 1.00 70.13 H new ATOM 0 HZ1 LYS A 74 -10.507 5.655 9.090 1.00 35.44 H new ATOM 0 HZ2 LYS A 74 -11.693 4.778 9.930 1.00 35.44 H new ATOM 0 HZ3 LYS A 74 -10.913 6.085 10.682 1.00 35.44 H new ATOM 1167 N LYS A 75 -7.377 0.669 14.443 1.00 31.52 N ATOM 1168 CA LYS A 75 -7.727 0.017 15.735 1.00 14.21 C ATOM 1169 C LYS A 75 -6.501 -0.695 16.344 1.00 72.44 C ATOM 1170 O LYS A 75 -6.428 -0.883 17.564 1.00 14.32 O ATOM 1171 CB LYS A 75 -8.909 -0.987 15.574 1.00 20.34 C ATOM 1172 CG LYS A 75 -8.584 -2.268 14.776 1.00 70.10 C ATOM 1173 CD LYS A 75 -9.787 -3.233 14.636 1.00 22.24 C ATOM 1174 CE LYS A 75 -10.997 -2.588 13.941 1.00 2.44 C ATOM 1175 NZ LYS A 75 -12.098 -3.562 13.724 1.00 11.33 N ATOM 0 H LYS A 75 -7.615 0.123 13.615 1.00 31.52 H new ATOM 0 HA LYS A 75 -8.048 0.805 16.416 1.00 14.21 H new ATOM 0 HB2 LYS A 75 -9.256 -1.275 16.566 1.00 20.34 H new ATOM 0 HB3 LYS A 75 -9.736 -0.473 15.083 1.00 20.34 H new ATOM 0 HG2 LYS A 75 -8.236 -1.988 13.782 1.00 70.10 H new ATOM 0 HG3 LYS A 75 -7.763 -2.792 15.265 1.00 70.10 H new ATOM 0 HD2 LYS A 75 -9.477 -4.112 14.071 1.00 22.24 H new ATOM 0 HD3 LYS A 75 -10.085 -3.579 15.626 1.00 22.24 H new ATOM 0 HE2 LYS A 75 -11.362 -1.757 14.545 1.00 2.44 H new ATOM 0 HE3 LYS A 75 -10.686 -2.173 12.982 1.00 2.44 H new ATOM 0 HZ1 LYS A 75 -12.965 -3.052 13.461 1.00 11.33 H new ATOM 0 HZ2 LYS A 75 -11.836 -4.218 12.960 1.00 11.33 H new ATOM 0 HZ3 LYS A 75 -12.264 -4.099 14.599 1.00 11.33 H new ATOM 1189 N GLU A 76 -5.546 -1.097 15.486 1.00 23.51 N ATOM 1190 CA GLU A 76 -4.327 -1.818 15.913 1.00 12.43 C ATOM 1191 C GLU A 76 -3.127 -0.874 16.128 1.00 11.44 C ATOM 1192 O GLU A 76 -2.028 -1.342 16.477 1.00 55.23 O ATOM 1193 CB GLU A 76 -3.985 -2.923 14.883 1.00 24.11 C ATOM 1194 CG GLU A 76 -5.048 -4.040 14.734 1.00 21.22 C ATOM 1195 CD GLU A 76 -5.421 -4.715 16.064 1.00 65.32 C ATOM 1196 OE1 GLU A 76 -4.687 -5.625 16.506 1.00 34.11 O ATOM 1197 OE2 GLU A 76 -6.449 -4.343 16.675 1.00 54.52 O ATOM 0 H GLU A 76 -5.594 -0.933 14.480 1.00 23.51 H new ATOM 0 HA GLU A 76 -4.535 -2.277 16.880 1.00 12.43 H new ATOM 0 HB2 GLU A 76 -3.834 -2.456 13.910 1.00 24.11 H new ATOM 0 HB3 GLU A 76 -3.038 -3.381 15.167 1.00 24.11 H new ATOM 0 HG2 GLU A 76 -5.947 -3.617 14.286 1.00 21.22 H new ATOM 0 HG3 GLU A 76 -4.674 -4.797 14.044 1.00 21.22 H new ATOM 1204 N GLY A 77 -3.342 0.437 15.918 1.00 24.54 N ATOM 1205 CA GLY A 77 -2.325 1.458 16.193 1.00 42.25 C ATOM 1206 C GLY A 77 -1.328 1.630 15.058 1.00 2.01 C ATOM 1207 O GLY A 77 -0.122 1.749 15.287 1.00 11.04 O ATOM 0 H GLY A 77 -4.219 0.812 15.556 1.00 24.54 H new ATOM 0 HA2 GLY A 77 -2.818 2.411 16.382 1.00 42.25 H new ATOM 0 HA3 GLY A 77 -1.788 1.191 17.103 1.00 42.25 H new ATOM 1211 N VAL A 78 -1.850 1.607 13.828 1.00 31.40 N ATOM 1212 CA VAL A 78 -1.073 1.800 12.589 1.00 30.52 C ATOM 1213 C VAL A 78 -1.591 3.047 11.843 1.00 4.22 C ATOM 1214 O VAL A 78 -2.806 3.210 11.675 1.00 32.42 O ATOM 1215 CB VAL A 78 -1.191 0.530 11.655 1.00 33.53 C ATOM 1216 CG1 VAL A 78 -0.371 0.688 10.352 1.00 20.31 C ATOM 1217 CG2 VAL A 78 -0.797 -0.760 12.418 1.00 63.41 C ATOM 0 H VAL A 78 -2.843 1.451 13.657 1.00 31.40 H new ATOM 0 HA VAL A 78 -0.024 1.941 12.851 1.00 30.52 H new ATOM 0 HB VAL A 78 -2.237 0.441 11.361 1.00 33.53 H new ATOM 0 HG11 VAL A 78 -0.482 -0.208 9.741 1.00 20.31 H new ATOM 0 HG12 VAL A 78 -0.734 1.553 9.796 1.00 20.31 H new ATOM 0 HG13 VAL A 78 0.681 0.831 10.599 1.00 20.31 H new ATOM 0 HG21 VAL A 78 -0.887 -1.618 11.752 1.00 63.41 H new ATOM 0 HG22 VAL A 78 0.233 -0.677 12.766 1.00 63.41 H new ATOM 0 HG23 VAL A 78 -1.459 -0.893 13.274 1.00 63.41 H new ATOM 1227 N SER A 79 -0.665 3.930 11.417 1.00 43.33 N ATOM 1228 CA SER A 79 -0.989 5.089 10.570 1.00 52.43 C ATOM 1229 C SER A 79 -1.011 4.665 9.086 1.00 43.31 C ATOM 1230 O SER A 79 -0.281 3.752 8.687 1.00 50.34 O ATOM 1231 CB SER A 79 0.043 6.208 10.814 1.00 32.24 C ATOM 1232 OG SER A 79 0.054 6.595 12.184 1.00 11.33 O ATOM 0 H SER A 79 0.325 3.857 11.651 1.00 43.33 H new ATOM 0 HA SER A 79 -1.978 5.469 10.827 1.00 52.43 H new ATOM 0 HB2 SER A 79 1.035 5.865 10.520 1.00 32.24 H new ATOM 0 HB3 SER A 79 -0.194 7.070 10.190 1.00 32.24 H new ATOM 0 HG SER A 79 0.716 7.305 12.318 1.00 11.33 H new ATOM 1238 N TYR A 80 -1.858 5.327 8.279 1.00 22.40 N ATOM 1239 CA TYR A 80 -1.998 5.036 6.837 1.00 61.54 C ATOM 1240 C TYR A 80 -2.421 6.313 6.075 1.00 33.32 C ATOM 1241 O TYR A 80 -3.113 7.174 6.637 1.00 15.12 O ATOM 1242 CB TYR A 80 -3.035 3.886 6.605 1.00 61.33 C ATOM 1243 CG TYR A 80 -4.497 4.252 6.946 1.00 74.53 C ATOM 1244 CD1 TYR A 80 -5.012 4.116 8.243 1.00 4.00 C ATOM 1245 CD2 TYR A 80 -5.357 4.760 5.964 1.00 34.35 C ATOM 1246 CE1 TYR A 80 -6.319 4.474 8.537 1.00 20.21 C ATOM 1247 CE2 TYR A 80 -6.655 5.113 6.259 1.00 1.44 C ATOM 1248 CZ TYR A 80 -7.132 4.973 7.542 1.00 0.02 C ATOM 1249 OH TYR A 80 -8.435 5.331 7.822 1.00 11.12 O ATOM 0 H TYR A 80 -2.465 6.079 8.605 1.00 22.40 H new ATOM 0 HA TYR A 80 -1.033 4.705 6.453 1.00 61.54 H new ATOM 0 HB2 TYR A 80 -2.987 3.578 5.561 1.00 61.33 H new ATOM 0 HB3 TYR A 80 -2.742 3.025 7.205 1.00 61.33 H new ATOM 0 HD1 TYR A 80 -4.380 3.726 9.027 1.00 4.00 H new ATOM 0 HD2 TYR A 80 -4.994 4.877 4.954 1.00 34.35 H new ATOM 0 HE1 TYR A 80 -6.699 4.362 9.542 1.00 20.21 H new ATOM 0 HE2 TYR A 80 -7.299 5.500 5.483 1.00 1.44 H new ATOM 0 HH TYR A 80 -8.865 5.664 7.007 1.00 11.12 H new ATOM 1259 N ASP A 81 -1.996 6.425 4.808 1.00 31.24 N ATOM 1260 CA ASP A 81 -2.446 7.480 3.872 1.00 73.41 C ATOM 1261 C ASP A 81 -2.997 6.820 2.608 1.00 55.23 C ATOM 1262 O ASP A 81 -2.302 6.021 1.980 1.00 53.12 O ATOM 1263 CB ASP A 81 -1.282 8.453 3.518 1.00 63.25 C ATOM 1264 CG ASP A 81 -0.949 9.429 4.662 1.00 23.10 C ATOM 1265 OD1 ASP A 81 -1.623 10.479 4.774 1.00 40.13 O ATOM 1266 OD2 ASP A 81 -0.032 9.141 5.463 1.00 50.43 O ATOM 0 H ASP A 81 -1.322 5.781 4.394 1.00 31.24 H new ATOM 0 HA ASP A 81 -3.229 8.069 4.350 1.00 73.41 H new ATOM 0 HB2 ASP A 81 -0.393 7.873 3.271 1.00 63.25 H new ATOM 0 HB3 ASP A 81 -1.549 9.022 2.627 1.00 63.25 H new ATOM 1271 N VAL A 82 -4.245 7.161 2.246 1.00 73.11 N ATOM 1272 CA VAL A 82 -4.948 6.564 1.096 1.00 73.02 C ATOM 1273 C VAL A 82 -4.631 7.355 -0.188 1.00 2.45 C ATOM 1274 O VAL A 82 -4.983 8.533 -0.318 1.00 22.30 O ATOM 1275 CB VAL A 82 -6.510 6.504 1.327 1.00 44.23 C ATOM 1276 CG1 VAL A 82 -7.242 5.928 0.086 1.00 33.43 C ATOM 1277 CG2 VAL A 82 -6.850 5.687 2.602 1.00 54.52 C ATOM 0 H VAL A 82 -4.797 7.860 2.743 1.00 73.11 H new ATOM 0 HA VAL A 82 -4.592 5.540 0.988 1.00 73.02 H new ATOM 0 HB VAL A 82 -6.863 7.524 1.475 1.00 44.23 H new ATOM 0 HG11 VAL A 82 -8.315 5.900 0.277 1.00 33.43 H new ATOM 0 HG12 VAL A 82 -7.044 6.560 -0.779 1.00 33.43 H new ATOM 0 HG13 VAL A 82 -6.882 4.918 -0.113 1.00 33.43 H new ATOM 0 HG21 VAL A 82 -7.931 5.660 2.739 1.00 54.52 H new ATOM 0 HG22 VAL A 82 -6.473 4.670 2.494 1.00 54.52 H new ATOM 0 HG23 VAL A 82 -6.385 6.156 3.469 1.00 54.52 H new ATOM 1287 N LEU A 83 -3.943 6.683 -1.111 1.00 40.54 N ATOM 1288 CA LEU A 83 -3.562 7.220 -2.420 1.00 34.35 C ATOM 1289 C LEU A 83 -4.409 6.529 -3.508 1.00 44.34 C ATOM 1290 O LEU A 83 -4.423 5.301 -3.582 1.00 45.25 O ATOM 1291 CB LEU A 83 -2.049 6.945 -2.655 1.00 41.04 C ATOM 1292 CG LEU A 83 -1.454 7.467 -4.003 1.00 1.24 C ATOM 1293 CD1 LEU A 83 -1.533 9.007 -4.106 1.00 45.31 C ATOM 1294 CD2 LEU A 83 -0.011 6.949 -4.208 1.00 45.24 C ATOM 0 H LEU A 83 -3.626 5.724 -0.966 1.00 40.54 H new ATOM 0 HA LEU A 83 -3.739 8.295 -2.460 1.00 34.35 H new ATOM 0 HB2 LEU A 83 -1.488 7.395 -1.836 1.00 41.04 H new ATOM 0 HB3 LEU A 83 -1.884 5.869 -2.602 1.00 41.04 H new ATOM 0 HG LEU A 83 -2.065 7.067 -4.812 1.00 1.24 H new ATOM 0 HD11 LEU A 83 -1.110 9.330 -5.057 1.00 45.31 H new ATOM 0 HD12 LEU A 83 -2.575 9.323 -4.047 1.00 45.31 H new ATOM 0 HD13 LEU A 83 -0.971 9.456 -3.287 1.00 45.31 H new ATOM 0 HD21 LEU A 83 0.380 7.326 -5.153 1.00 45.24 H new ATOM 0 HD22 LEU A 83 0.620 7.296 -3.390 1.00 45.24 H new ATOM 0 HD23 LEU A 83 -0.015 5.859 -4.226 1.00 45.24 H new ATOM 1306 N LYS A 84 -5.137 7.315 -4.326 1.00 5.14 N ATOM 1307 CA LYS A 84 -5.909 6.790 -5.475 1.00 2.14 C ATOM 1308 C LYS A 84 -5.558 7.598 -6.736 1.00 13.00 C ATOM 1309 O LYS A 84 -5.937 8.771 -6.857 1.00 24.03 O ATOM 1310 CB LYS A 84 -7.446 6.811 -5.190 1.00 22.23 C ATOM 1311 CG LYS A 84 -7.886 5.832 -4.079 1.00 74.51 C ATOM 1312 CD LYS A 84 -9.415 5.766 -3.861 1.00 45.53 C ATOM 1313 CE LYS A 84 -9.792 4.732 -2.783 1.00 55.34 C ATOM 1314 NZ LYS A 84 -11.254 4.669 -2.531 1.00 31.51 N ATOM 0 H LYS A 84 -5.208 8.326 -4.212 1.00 5.14 H new ATOM 0 HA LYS A 84 -5.636 5.747 -5.637 1.00 2.14 H new ATOM 0 HB2 LYS A 84 -7.740 7.822 -4.908 1.00 22.23 H new ATOM 0 HB3 LYS A 84 -7.980 6.568 -6.109 1.00 22.23 H new ATOM 0 HG2 LYS A 84 -7.522 4.834 -4.324 1.00 74.51 H new ATOM 0 HG3 LYS A 84 -7.409 6.124 -3.143 1.00 74.51 H new ATOM 0 HD2 LYS A 84 -9.784 6.749 -3.567 1.00 45.53 H new ATOM 0 HD3 LYS A 84 -9.906 5.509 -4.800 1.00 45.53 H new ATOM 0 HE2 LYS A 84 -9.438 3.748 -3.091 1.00 55.34 H new ATOM 0 HE3 LYS A 84 -9.278 4.979 -1.854 1.00 55.34 H new ATOM 0 HZ1 LYS A 84 -11.527 3.689 -2.317 1.00 31.51 H new ATOM 0 HZ2 LYS A 84 -11.494 5.280 -1.724 1.00 31.51 H new ATOM 0 HZ3 LYS A 84 -11.766 4.994 -3.376 1.00 31.51 H new ATOM 1328 N SER A 85 -4.806 6.963 -7.648 1.00 11.13 N ATOM 1329 CA SER A 85 -4.371 7.561 -8.933 1.00 73.23 C ATOM 1330 C SER A 85 -4.263 6.454 -10.007 1.00 72.03 C ATOM 1331 O SER A 85 -3.764 5.362 -9.726 1.00 1.32 O ATOM 1332 CB SER A 85 -3.007 8.302 -8.784 1.00 24.13 C ATOM 1333 OG SER A 85 -3.044 9.293 -7.764 1.00 71.11 O ATOM 0 H SER A 85 -4.475 6.007 -7.518 1.00 11.13 H new ATOM 0 HA SER A 85 -5.115 8.297 -9.239 1.00 73.23 H new ATOM 0 HB2 SER A 85 -2.225 7.578 -8.557 1.00 24.13 H new ATOM 0 HB3 SER A 85 -2.743 8.769 -9.733 1.00 24.13 H new ATOM 0 HG SER A 85 -2.170 9.732 -7.702 1.00 71.11 H new ATOM 1339 N THR A 86 -4.734 6.748 -11.234 1.00 31.12 N ATOM 1340 CA THR A 86 -4.613 5.855 -12.403 1.00 41.53 C ATOM 1341 C THR A 86 -3.530 6.427 -13.328 1.00 72.25 C ATOM 1342 O THR A 86 -3.833 7.160 -14.281 1.00 44.42 O ATOM 1343 CB THR A 86 -5.992 5.700 -13.154 1.00 43.15 C ATOM 1344 OG1 THR A 86 -6.661 6.977 -13.230 1.00 4.23 O ATOM 1345 CG2 THR A 86 -6.916 4.689 -12.466 1.00 14.12 C ATOM 0 H THR A 86 -5.215 7.623 -11.444 1.00 31.12 H new ATOM 0 HA THR A 86 -4.328 4.855 -12.077 1.00 41.53 H new ATOM 0 HB THR A 86 -5.771 5.329 -14.155 1.00 43.15 H new ATOM 0 HG1 THR A 86 -6.051 7.644 -13.609 1.00 4.23 H new ATOM 0 HG21 THR A 86 -7.852 4.617 -13.019 1.00 14.12 H new ATOM 0 HG22 THR A 86 -6.433 3.712 -12.442 1.00 14.12 H new ATOM 0 HG23 THR A 86 -7.121 5.018 -11.447 1.00 14.12 H new ATOM 1353 N ASP A 87 -2.259 6.104 -13.011 1.00 61.15 N ATOM 1354 CA ASP A 87 -1.088 6.677 -13.691 1.00 44.31 C ATOM 1355 C ASP A 87 0.197 5.998 -13.161 1.00 24.51 C ATOM 1356 O ASP A 87 0.484 6.081 -11.952 1.00 41.24 O ATOM 1357 CB ASP A 87 -1.001 8.214 -13.477 1.00 54.15 C ATOM 1358 CG ASP A 87 0.075 8.865 -14.365 1.00 24.11 C ATOM 1359 OD1 ASP A 87 1.231 8.968 -13.931 1.00 33.30 O ATOM 1360 OD2 ASP A 87 -0.244 9.256 -15.507 1.00 12.42 O ATOM 0 H ASP A 87 -2.020 5.438 -12.276 1.00 61.15 H new ATOM 0 HA ASP A 87 -1.190 6.495 -14.761 1.00 44.31 H new ATOM 0 HB2 ASP A 87 -1.970 8.665 -13.693 1.00 54.15 H new ATOM 0 HB3 ASP A 87 -0.780 8.421 -12.430 1.00 54.15 H new ATOM 1365 N PRO A 88 0.998 5.314 -14.052 1.00 23.04 N ATOM 1366 CA PRO A 88 2.185 4.519 -13.638 1.00 23.45 C ATOM 1367 C PRO A 88 3.264 5.358 -12.922 1.00 41.11 C ATOM 1368 O PRO A 88 3.786 4.941 -11.892 1.00 0.42 O ATOM 1369 CB PRO A 88 2.718 3.916 -14.973 1.00 72.21 C ATOM 1370 CG PRO A 88 2.161 4.803 -16.042 1.00 61.34 C ATOM 1371 CD PRO A 88 0.807 5.243 -15.531 1.00 3.25 C ATOM 0 HA PRO A 88 1.918 3.760 -12.902 1.00 23.45 H new ATOM 0 HB2 PRO A 88 3.808 3.906 -14.995 1.00 72.21 H new ATOM 0 HB3 PRO A 88 2.387 2.885 -15.102 1.00 72.21 H new ATOM 0 HG2 PRO A 88 2.811 5.659 -16.221 1.00 61.34 H new ATOM 0 HG3 PRO A 88 2.070 4.269 -16.988 1.00 61.34 H new ATOM 0 HD2 PRO A 88 0.516 6.209 -15.945 1.00 3.25 H new ATOM 0 HD3 PRO A 88 0.026 4.532 -15.801 1.00 3.25 H new ATOM 1379 N GLU A 89 3.528 6.578 -13.424 1.00 33.42 N ATOM 1380 CA GLU A 89 4.691 7.374 -12.972 1.00 73.22 C ATOM 1381 C GLU A 89 4.324 8.221 -11.738 1.00 74.10 C ATOM 1382 O GLU A 89 5.204 8.571 -10.945 1.00 74.14 O ATOM 1383 CB GLU A 89 5.258 8.233 -14.137 1.00 54.51 C ATOM 1384 CG GLU A 89 4.298 9.294 -14.707 1.00 20.12 C ATOM 1385 CD GLU A 89 4.840 9.997 -15.962 1.00 11.41 C ATOM 1386 OE1 GLU A 89 5.724 10.870 -15.825 1.00 0.14 O ATOM 1387 OE2 GLU A 89 4.398 9.670 -17.084 1.00 72.32 O ATOM 0 H GLU A 89 2.959 7.034 -14.137 1.00 33.42 H new ATOM 0 HA GLU A 89 5.486 6.694 -12.666 1.00 73.22 H new ATOM 0 HB2 GLU A 89 6.161 8.735 -13.789 1.00 54.51 H new ATOM 0 HB3 GLU A 89 5.556 7.566 -14.946 1.00 54.51 H new ATOM 0 HG2 GLU A 89 3.346 8.820 -14.948 1.00 20.12 H new ATOM 0 HG3 GLU A 89 4.097 10.041 -13.939 1.00 20.12 H new ATOM 1394 N GLU A 90 3.018 8.514 -11.569 1.00 30.23 N ATOM 1395 CA GLU A 90 2.494 9.228 -10.387 1.00 52.51 C ATOM 1396 C GLU A 90 2.550 8.312 -9.158 1.00 41.03 C ATOM 1397 O GLU A 90 3.032 8.703 -8.091 1.00 64.00 O ATOM 1398 CB GLU A 90 1.035 9.683 -10.640 1.00 70.52 C ATOM 1399 CG GLU A 90 0.361 10.442 -9.478 1.00 30.14 C ATOM 1400 CD GLU A 90 1.007 11.808 -9.171 1.00 11.12 C ATOM 1401 OE1 GLU A 90 0.832 12.747 -9.982 1.00 1.41 O ATOM 1402 OE2 GLU A 90 1.643 11.961 -8.105 1.00 63.55 O ATOM 0 H GLU A 90 2.299 8.263 -12.247 1.00 30.23 H new ATOM 0 HA GLU A 90 3.110 10.109 -10.205 1.00 52.51 H new ATOM 0 HB2 GLU A 90 1.021 10.321 -11.524 1.00 70.52 H new ATOM 0 HB3 GLU A 90 0.434 8.804 -10.872 1.00 70.52 H new ATOM 0 HG2 GLU A 90 -0.692 10.594 -9.717 1.00 30.14 H new ATOM 0 HG3 GLU A 90 0.398 9.823 -8.582 1.00 30.14 H new ATOM 1409 N LEU A 91 2.065 7.067 -9.335 1.00 62.43 N ATOM 1410 CA LEU A 91 2.090 6.071 -8.253 1.00 33.41 C ATOM 1411 C LEU A 91 3.553 5.741 -7.877 1.00 2.44 C ATOM 1412 O LEU A 91 3.884 5.702 -6.700 1.00 64.23 O ATOM 1413 CB LEU A 91 1.288 4.793 -8.623 1.00 71.30 C ATOM 1414 CG LEU A 91 -0.260 4.960 -8.793 1.00 61.22 C ATOM 1415 CD1 LEU A 91 -0.934 3.601 -9.096 1.00 15.32 C ATOM 1416 CD2 LEU A 91 -0.899 5.625 -7.553 1.00 15.02 C ATOM 0 H LEU A 91 1.656 6.733 -10.208 1.00 62.43 H new ATOM 0 HA LEU A 91 1.597 6.500 -7.381 1.00 33.41 H new ATOM 0 HB2 LEU A 91 1.692 4.395 -9.554 1.00 71.30 H new ATOM 0 HB3 LEU A 91 1.467 4.044 -7.852 1.00 71.30 H new ATOM 0 HG LEU A 91 -0.426 5.620 -9.644 1.00 61.22 H new ATOM 0 HD11 LEU A 91 -2.008 3.745 -9.209 1.00 15.32 H new ATOM 0 HD12 LEU A 91 -0.524 3.189 -10.018 1.00 15.32 H new ATOM 0 HD13 LEU A 91 -0.745 2.910 -8.274 1.00 15.32 H new ATOM 0 HD21 LEU A 91 -1.973 5.725 -7.707 1.00 15.02 H new ATOM 0 HD22 LEU A 91 -0.714 5.008 -6.673 1.00 15.02 H new ATOM 0 HD23 LEU A 91 -0.461 6.612 -7.403 1.00 15.02 H new ATOM 1428 N THR A 92 4.437 5.593 -8.899 1.00 24.34 N ATOM 1429 CA THR A 92 5.869 5.255 -8.695 1.00 44.14 C ATOM 1430 C THR A 92 6.612 6.355 -7.913 1.00 62.22 C ATOM 1431 O THR A 92 7.414 6.042 -7.014 1.00 23.45 O ATOM 1432 CB THR A 92 6.599 4.978 -10.059 1.00 34.45 C ATOM 1433 OG1 THR A 92 5.949 3.895 -10.741 1.00 62.31 O ATOM 1434 CG2 THR A 92 8.091 4.619 -9.879 1.00 23.51 C ATOM 0 H THR A 92 4.179 5.704 -9.880 1.00 24.34 H new ATOM 0 HA THR A 92 5.890 4.341 -8.101 1.00 44.14 H new ATOM 0 HB THR A 92 6.544 5.900 -10.638 1.00 34.45 H new ATOM 0 HG1 THR A 92 5.215 4.246 -11.287 1.00 62.31 H new ATOM 0 HG21 THR A 92 8.542 4.439 -10.855 1.00 23.51 H new ATOM 0 HG22 THR A 92 8.607 5.444 -9.388 1.00 23.51 H new ATOM 0 HG23 THR A 92 8.178 3.721 -9.267 1.00 23.51 H new ATOM 1442 N GLN A 93 6.329 7.640 -8.239 1.00 30.22 N ATOM 1443 CA GLN A 93 6.999 8.766 -7.573 1.00 4.32 C ATOM 1444 C GLN A 93 6.584 8.823 -6.094 1.00 60.31 C ATOM 1445 O GLN A 93 7.434 9.013 -5.225 1.00 11.00 O ATOM 1446 CB GLN A 93 6.752 10.136 -8.271 1.00 11.21 C ATOM 1447 CG GLN A 93 5.335 10.726 -8.133 1.00 34.15 C ATOM 1448 CD GLN A 93 5.253 12.186 -8.560 1.00 34.45 C ATOM 1449 OE1 GLN A 93 5.006 12.491 -9.730 1.00 0.22 O ATOM 1450 NE2 GLN A 93 5.483 13.094 -7.615 1.00 30.32 N ATOM 0 H GLN A 93 5.650 7.912 -8.950 1.00 30.22 H new ATOM 0 HA GLN A 93 8.071 8.583 -7.647 1.00 4.32 H new ATOM 0 HB2 GLN A 93 7.464 10.858 -7.870 1.00 11.21 H new ATOM 0 HB3 GLN A 93 6.975 10.025 -9.332 1.00 11.21 H new ATOM 0 HG2 GLN A 93 4.642 10.138 -8.735 1.00 34.15 H new ATOM 0 HG3 GLN A 93 5.010 10.638 -7.096 1.00 34.15 H new ATOM 0 HE21 GLN A 93 5.683 12.797 -6.660 1.00 30.32 H new ATOM 0 HE22 GLN A 93 5.459 14.087 -7.846 1.00 30.32 H new ATOM 1459 N ARG A 94 5.272 8.604 -5.824 1.00 71.44 N ATOM 1460 CA ARG A 94 4.722 8.677 -4.457 1.00 61.43 C ATOM 1461 C ARG A 94 5.258 7.538 -3.567 1.00 30.22 C ATOM 1462 O ARG A 94 5.562 7.763 -2.391 1.00 23.52 O ATOM 1463 CB ARG A 94 3.173 8.691 -4.475 1.00 54.12 C ATOM 1464 CG ARG A 94 2.559 9.929 -5.174 1.00 25.22 C ATOM 1465 CD ARG A 94 2.978 11.274 -4.533 1.00 31.32 C ATOM 1466 NE ARG A 94 2.514 12.425 -5.316 1.00 52.25 N ATOM 1467 CZ ARG A 94 3.141 13.607 -5.419 1.00 45.14 C ATOM 1468 NH1 ARG A 94 4.288 13.856 -4.797 1.00 62.24 N ATOM 1469 NH2 ARG A 94 2.616 14.542 -6.178 1.00 61.12 N ATOM 0 H ARG A 94 4.580 8.376 -6.538 1.00 71.44 H new ATOM 0 HA ARG A 94 5.059 9.618 -4.021 1.00 61.43 H new ATOM 0 HB2 ARG A 94 2.818 7.791 -4.977 1.00 54.12 H new ATOM 0 HB3 ARG A 94 2.808 8.649 -3.449 1.00 54.12 H new ATOM 0 HG2 ARG A 94 2.856 9.928 -6.223 1.00 25.22 H new ATOM 0 HG3 ARG A 94 1.472 9.848 -5.150 1.00 25.22 H new ATOM 0 HD2 ARG A 94 2.573 11.336 -3.523 1.00 31.32 H new ATOM 0 HD3 ARG A 94 4.064 11.310 -4.444 1.00 31.32 H new ATOM 0 HE ARG A 94 1.638 12.317 -5.827 1.00 52.25 H new ATOM 0 HH11 ARG A 94 4.721 13.136 -4.218 1.00 62.24 H new ATOM 0 HH12 ARG A 94 4.736 14.767 -4.899 1.00 62.24 H new ATOM 0 HH21 ARG A 94 1.745 14.364 -6.678 1.00 61.12 H new ATOM 0 HH22 ARG A 94 3.079 15.446 -6.267 1.00 61.12 H new ATOM 1483 N VAL A 95 5.384 6.334 -4.148 1.00 61.43 N ATOM 1484 CA VAL A 95 5.935 5.150 -3.458 1.00 65.22 C ATOM 1485 C VAL A 95 7.396 5.400 -3.030 1.00 14.42 C ATOM 1486 O VAL A 95 7.749 5.246 -1.845 1.00 72.40 O ATOM 1487 CB VAL A 95 5.842 3.866 -4.379 1.00 50.45 C ATOM 1488 CG1 VAL A 95 6.624 2.664 -3.795 1.00 2.23 C ATOM 1489 CG2 VAL A 95 4.367 3.484 -4.641 1.00 61.21 C ATOM 0 H VAL A 95 5.107 6.151 -5.112 1.00 61.43 H new ATOM 0 HA VAL A 95 5.338 4.973 -2.563 1.00 65.22 H new ATOM 0 HB VAL A 95 6.312 4.121 -5.329 1.00 50.45 H new ATOM 0 HG11 VAL A 95 6.529 1.809 -4.464 1.00 2.23 H new ATOM 0 HG12 VAL A 95 7.676 2.930 -3.693 1.00 2.23 H new ATOM 0 HG13 VAL A 95 6.218 2.407 -2.817 1.00 2.23 H new ATOM 0 HG21 VAL A 95 4.328 2.599 -5.276 1.00 61.21 H new ATOM 0 HG22 VAL A 95 3.872 3.273 -3.693 1.00 61.21 H new ATOM 0 HG23 VAL A 95 3.860 4.311 -5.139 1.00 61.21 H new ATOM 1499 N ARG A 96 8.223 5.842 -3.999 1.00 53.44 N ATOM 1500 CA ARG A 96 9.668 5.991 -3.794 1.00 13.33 C ATOM 1501 C ARG A 96 9.966 7.148 -2.808 1.00 1.15 C ATOM 1502 O ARG A 96 10.778 6.981 -1.898 1.00 34.21 O ATOM 1503 CB ARG A 96 10.413 6.156 -5.164 1.00 42.22 C ATOM 1504 CG ARG A 96 10.418 7.578 -5.778 1.00 62.24 C ATOM 1505 CD ARG A 96 10.700 7.593 -7.290 1.00 72.40 C ATOM 1506 NE ARG A 96 11.930 6.866 -7.677 1.00 23.34 N ATOM 1507 CZ ARG A 96 12.146 6.304 -8.889 1.00 21.12 C ATOM 1508 NH1 ARG A 96 11.224 6.364 -9.855 1.00 30.23 N ATOM 1509 NH2 ARG A 96 13.295 5.686 -9.129 1.00 43.13 N ATOM 0 H ARG A 96 7.907 6.102 -4.934 1.00 53.44 H new ATOM 0 HA ARG A 96 10.053 5.080 -3.336 1.00 13.33 H new ATOM 0 HB2 ARG A 96 11.447 5.838 -5.031 1.00 42.22 H new ATOM 0 HB3 ARG A 96 9.960 5.475 -5.884 1.00 42.22 H new ATOM 0 HG2 ARG A 96 9.453 8.049 -5.592 1.00 62.24 H new ATOM 0 HG3 ARG A 96 11.170 8.182 -5.270 1.00 62.24 H new ATOM 0 HD2 ARG A 96 9.850 7.154 -7.813 1.00 72.40 H new ATOM 0 HD3 ARG A 96 10.780 8.627 -7.625 1.00 72.40 H new ATOM 0 HE ARG A 96 12.669 6.783 -6.979 1.00 23.34 H new ATOM 0 HH11 ARG A 96 10.338 6.840 -9.685 1.00 30.23 H new ATOM 0 HH12 ARG A 96 11.407 5.934 -10.762 1.00 30.23 H new ATOM 0 HH21 ARG A 96 14.009 5.637 -8.402 1.00 43.13 H new ATOM 0 HH22 ARG A 96 13.464 5.260 -10.040 1.00 43.13 H new ATOM 1523 N GLU A 97 9.252 8.297 -2.959 1.00 32.23 N ATOM 1524 CA GLU A 97 9.472 9.490 -2.110 1.00 52.11 C ATOM 1525 C GLU A 97 8.982 9.242 -0.675 1.00 41.55 C ATOM 1526 O GLU A 97 9.536 9.809 0.270 1.00 72.12 O ATOM 1527 CB GLU A 97 8.806 10.766 -2.701 1.00 24.34 C ATOM 1528 CG GLU A 97 7.261 10.814 -2.633 1.00 70.02 C ATOM 1529 CD GLU A 97 6.653 12.006 -3.393 1.00 63.40 C ATOM 1530 OE1 GLU A 97 6.422 11.892 -4.619 1.00 22.34 O ATOM 1531 OE2 GLU A 97 6.404 13.061 -2.771 1.00 12.51 O ATOM 0 H GLU A 97 8.522 8.417 -3.661 1.00 32.23 H new ATOM 0 HA GLU A 97 10.547 9.667 -2.087 1.00 52.11 H new ATOM 0 HB2 GLU A 97 9.201 11.635 -2.175 1.00 24.34 H new ATOM 0 HB3 GLU A 97 9.108 10.860 -3.744 1.00 24.34 H new ATOM 0 HG2 GLU A 97 6.858 9.888 -3.042 1.00 70.02 H new ATOM 0 HG3 GLU A 97 6.952 10.862 -1.589 1.00 70.02 H new ATOM 1538 N PHE A 98 7.940 8.384 -0.519 1.00 33.24 N ATOM 1539 CA PHE A 98 7.429 7.978 0.803 1.00 62.44 C ATOM 1540 C PHE A 98 8.502 7.179 1.557 1.00 73.33 C ATOM 1541 O PHE A 98 8.810 7.471 2.710 1.00 51.10 O ATOM 1542 CB PHE A 98 6.127 7.139 0.648 1.00 63.30 C ATOM 1543 CG PHE A 98 5.438 6.782 1.966 1.00 61.33 C ATOM 1544 CD1 PHE A 98 4.629 7.714 2.622 1.00 32.22 C ATOM 1545 CD2 PHE A 98 5.597 5.521 2.554 1.00 23.40 C ATOM 1546 CE1 PHE A 98 4.003 7.396 3.813 1.00 13.33 C ATOM 1547 CE2 PHE A 98 4.970 5.212 3.745 1.00 53.54 C ATOM 1548 CZ PHE A 98 4.178 6.145 4.372 1.00 73.23 C ATOM 0 H PHE A 98 7.440 7.962 -1.301 1.00 33.24 H new ATOM 0 HA PHE A 98 7.191 8.872 1.379 1.00 62.44 H new ATOM 0 HB2 PHE A 98 5.425 7.694 0.025 1.00 63.30 H new ATOM 0 HB3 PHE A 98 6.365 6.218 0.117 1.00 63.30 H new ATOM 0 HD1 PHE A 98 4.491 8.695 2.193 1.00 32.22 H new ATOM 0 HD2 PHE A 98 6.217 4.781 2.070 1.00 23.40 H new ATOM 0 HE1 PHE A 98 3.377 8.125 4.306 1.00 13.33 H new ATOM 0 HE2 PHE A 98 5.102 4.235 4.185 1.00 53.54 H new ATOM 0 HZ PHE A 98 3.691 5.899 5.304 1.00 73.23 H new ATOM 1558 N LEU A 99 9.097 6.192 0.871 1.00 33.10 N ATOM 1559 CA LEU A 99 10.136 5.326 1.462 1.00 40.41 C ATOM 1560 C LEU A 99 11.490 6.066 1.606 1.00 23.44 C ATOM 1561 O LEU A 99 12.350 5.625 2.368 1.00 40.34 O ATOM 1562 CB LEU A 99 10.273 4.029 0.625 1.00 22.41 C ATOM 1563 CG LEU A 99 8.995 3.124 0.564 1.00 33.23 C ATOM 1564 CD1 LEU A 99 9.182 1.937 -0.403 1.00 51.22 C ATOM 1565 CD2 LEU A 99 8.589 2.631 1.976 1.00 25.21 C ATOM 0 H LEU A 99 8.877 5.970 -0.100 1.00 33.10 H new ATOM 0 HA LEU A 99 9.828 5.055 2.472 1.00 40.41 H new ATOM 0 HB2 LEU A 99 10.551 4.302 -0.393 1.00 22.41 H new ATOM 0 HB3 LEU A 99 11.094 3.440 1.033 1.00 22.41 H new ATOM 0 HG LEU A 99 8.183 3.738 0.175 1.00 33.23 H new ATOM 0 HD11 LEU A 99 8.275 1.333 -0.418 1.00 51.22 H new ATOM 0 HD12 LEU A 99 9.384 2.313 -1.406 1.00 51.22 H new ATOM 0 HD13 LEU A 99 10.020 1.325 -0.070 1.00 51.22 H new ATOM 0 HD21 LEU A 99 7.699 2.006 1.901 1.00 25.21 H new ATOM 0 HD22 LEU A 99 9.405 2.051 2.407 1.00 25.21 H new ATOM 0 HD23 LEU A 99 8.377 3.489 2.614 1.00 25.21 H new ATOM 1577 N LYS A 100 11.665 7.193 0.884 1.00 20.02 N ATOM 1578 CA LYS A 100 12.862 8.058 1.022 1.00 11.31 C ATOM 1579 C LYS A 100 12.716 9.030 2.209 1.00 14.15 C ATOM 1580 O LYS A 100 13.693 9.307 2.905 1.00 44.31 O ATOM 1581 CB LYS A 100 13.141 8.860 -0.283 1.00 52.40 C ATOM 1582 CG LYS A 100 13.741 8.024 -1.437 1.00 63.44 C ATOM 1583 CD LYS A 100 14.061 8.882 -2.687 1.00 3.52 C ATOM 1584 CE LYS A 100 14.739 8.074 -3.802 1.00 74.14 C ATOM 1585 NZ LYS A 100 15.143 8.933 -4.950 1.00 25.22 N ATOM 0 H LYS A 100 10.991 7.528 0.196 1.00 20.02 H new ATOM 0 HA LYS A 100 13.709 7.398 1.211 1.00 11.31 H new ATOM 0 HB2 LYS A 100 12.208 9.309 -0.624 1.00 52.40 H new ATOM 0 HB3 LYS A 100 13.823 9.678 -0.052 1.00 52.40 H new ATOM 0 HG2 LYS A 100 14.653 7.536 -1.092 1.00 63.44 H new ATOM 0 HG3 LYS A 100 13.041 7.235 -1.712 1.00 63.44 H new ATOM 0 HD2 LYS A 100 13.138 9.318 -3.069 1.00 3.52 H new ATOM 0 HD3 LYS A 100 14.709 9.710 -2.398 1.00 3.52 H new ATOM 0 HE2 LYS A 100 15.618 7.569 -3.400 1.00 74.14 H new ATOM 0 HE3 LYS A 100 14.058 7.298 -4.152 1.00 74.14 H new ATOM 0 HZ1 LYS A 100 15.597 8.347 -5.679 1.00 25.22 H new ATOM 0 HZ2 LYS A 100 14.302 9.395 -5.351 1.00 25.22 H new ATOM 0 HZ3 LYS A 100 15.813 9.658 -4.622 1.00 25.22 H new ATOM 1599 N THR A 101 11.497 9.554 2.432 1.00 31.51 N ATOM 1600 CA THR A 101 11.236 10.549 3.489 1.00 32.12 C ATOM 1601 C THR A 101 10.926 9.820 4.805 1.00 22.42 C ATOM 1602 O THR A 101 11.705 9.888 5.761 1.00 43.21 O ATOM 1603 CB THR A 101 10.057 11.509 3.094 1.00 70.42 C ATOM 1604 OG1 THR A 101 10.344 12.132 1.830 1.00 53.14 O ATOM 1605 CG2 THR A 101 9.821 12.606 4.151 1.00 20.01 C ATOM 0 H THR A 101 10.671 9.302 1.889 1.00 31.51 H new ATOM 0 HA THR A 101 12.125 11.166 3.617 1.00 32.12 H new ATOM 0 HB THR A 101 9.153 10.904 3.028 1.00 70.42 H new ATOM 0 HG1 THR A 101 10.156 11.501 1.104 1.00 53.14 H new ATOM 0 HG21 THR A 101 8.997 13.245 3.834 1.00 20.01 H new ATOM 0 HG22 THR A 101 9.575 12.143 5.107 1.00 20.01 H new ATOM 0 HG23 THR A 101 10.724 13.206 4.260 1.00 20.01 H new ATOM 1613 N ALA A 102 9.813 9.054 4.801 1.00 65.00 N ATOM 1614 CA ALA A 102 9.345 8.286 5.974 1.00 71.33 C ATOM 1615 C ALA A 102 10.313 7.134 6.331 1.00 53.51 C ATOM 1616 O ALA A 102 10.245 6.595 7.434 1.00 22.35 O ATOM 1617 CB ALA A 102 7.919 7.752 5.734 1.00 25.11 C ATOM 0 H ALA A 102 9.213 8.951 3.982 1.00 65.00 H new ATOM 0 HA ALA A 102 9.324 8.965 6.827 1.00 71.33 H new ATOM 0 HB1 ALA A 102 7.590 7.189 6.607 1.00 25.11 H new ATOM 0 HB2 ALA A 102 7.241 8.588 5.565 1.00 25.11 H new ATOM 0 HB3 ALA A 102 7.917 7.101 4.860 1.00 25.11 H new