USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 680 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 49 LYS NZ :NH3+ -150:sc= 0.887 (180deg=-0.0859) USER MOD Set 1.2: A 58 SER OG : rot 163:sc= 0.882 USER MOD Single : A 2 ASN : amide:sc=-0.00364 X(o=-0.0036,f=0.17) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -1.36 (180deg=-2.26) USER MOD Single : A 6 ASN : amide:sc= -3.75! C(o=-3.7!,f=-8.4!) USER MOD Single : A 7 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0719 USER MOD Single : A 12 ASN : amide:sc= -2.19 K(o=-2.2,f=-6.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 16 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.0028) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.12) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.000493 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.482 K(o=0.48,f=-3.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.102 USER MOD Single : A 47 TYR OH : rot 165:sc= -0.0449 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -1.43 (180deg=-3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.12 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -8:sc= -0.129 USER MOD Single : A 68 ASN :FLIP amide:sc= 1.02 F(o=-0.23,f=1) USER MOD Single : A 69 ASN : amide:sc= -0.0415 X(o=-0.041,f=-0.21) USER MOD Single : A 71 SER OG : rot 65:sc= -1.32 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 29:sc= 1.07 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 70:sc= -1.83 USER MOD Single : A 83 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.81) USER MOD Single : A 85 MET CE :methyl -130:sc= -0.836 (180deg=-2!) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.38 (180deg=-0.739) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00457 USER MOD Single : A 91 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.2) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 74:sc= 0.00197 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.5! C(o=-4.5!,f=-5.6!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.058 -1.189 -0.914 1.00 3.51 N ATOM 9 CA ASN A 2 4.936 -2.336 -1.114 1.00 42.22 C ATOM 10 C ASN A 2 6.037 -2.370 -0.058 1.00 14.41 C ATOM 11 O ASN A 2 6.059 -1.547 0.858 1.00 74.20 O ATOM 12 CB ASN A 2 5.557 -2.292 -2.512 1.00 52.40 C ATOM 13 CG ASN A 2 4.544 -2.578 -3.604 1.00 14.44 C ATOM 14 OD1 ASN A 2 3.525 -1.896 -3.714 1.00 53.43 O ATOM 15 ND2 ASN A 2 4.820 -3.591 -4.416 1.00 50.23 N ATOM 0 HA ASN A 2 4.336 -3.241 -1.018 1.00 42.22 H new ATOM 0 HB2 ASN A 2 6.000 -1.310 -2.679 1.00 52.40 H new ATOM 0 HB3 ASN A 2 6.366 -3.021 -2.570 1.00 52.40 H new ATOM 0 HD21 ASN A 2 4.175 -3.832 -5.169 1.00 50.23 H new ATOM 0 HD22 ASN A 2 5.677 -4.129 -4.287 1.00 50.23 H new ATOM 22 N VAL A 3 6.949 -3.326 -0.193 1.00 25.54 N ATOM 23 CA VAL A 3 8.054 -3.467 0.748 1.00 22.15 C ATOM 24 C VAL A 3 9.395 -3.242 0.059 1.00 23.32 C ATOM 25 O VAL A 3 9.851 -4.076 -0.724 1.00 72.53 O ATOM 26 CB VAL A 3 8.056 -4.859 1.408 1.00 14.24 C ATOM 27 CG1 VAL A 3 7.025 -4.921 2.525 1.00 32.42 C ATOM 28 CG2 VAL A 3 7.796 -5.940 0.371 1.00 73.33 C ATOM 0 H VAL A 3 6.945 -4.015 -0.945 1.00 25.54 H new ATOM 0 HA VAL A 3 7.912 -2.708 1.518 1.00 22.15 H new ATOM 0 HB VAL A 3 9.040 -5.035 1.843 1.00 14.24 H new ATOM 0 HG11 VAL A 3 7.040 -5.911 2.980 1.00 32.42 H new ATOM 0 HG12 VAL A 3 7.261 -4.171 3.280 1.00 32.42 H new ATOM 0 HG13 VAL A 3 6.034 -4.725 2.116 1.00 32.42 H new ATOM 0 HG21 VAL A 3 7.801 -6.917 0.855 1.00 73.33 H new ATOM 0 HG22 VAL A 3 6.825 -5.771 -0.095 1.00 73.33 H new ATOM 0 HG23 VAL A 3 8.575 -5.908 -0.391 1.00 73.33 H new ATOM 38 N LEU A 4 10.024 -2.110 0.356 1.00 61.41 N ATOM 39 CA LEU A 4 11.315 -1.775 -0.235 1.00 1.22 C ATOM 40 C LEU A 4 12.296 -1.300 0.833 1.00 73.31 C ATOM 41 O LEU A 4 11.899 -0.707 1.836 1.00 20.33 O ATOM 42 CB LEU A 4 11.144 -0.693 -1.303 1.00 33.22 C ATOM 43 CG LEU A 4 10.132 0.409 -0.986 1.00 24.12 C ATOM 44 CD1 LEU A 4 10.584 1.734 -1.579 1.00 52.51 C ATOM 45 CD2 LEU A 4 8.753 0.032 -1.505 1.00 54.24 C ATOM 0 H LEU A 4 9.661 -1.409 1.002 1.00 61.41 H new ATOM 0 HA LEU A 4 11.719 -2.675 -0.699 1.00 1.22 H new ATOM 0 HB2 LEU A 4 12.114 -0.228 -1.479 1.00 33.22 H new ATOM 0 HB3 LEU A 4 10.847 -1.174 -2.235 1.00 33.22 H new ATOM 0 HG LEU A 4 10.072 0.521 0.097 1.00 24.12 H new ATOM 0 HD11 LEU A 4 9.852 2.507 -1.344 1.00 52.51 H new ATOM 0 HD12 LEU A 4 11.551 2.010 -1.158 1.00 52.51 H new ATOM 0 HD13 LEU A 4 10.674 1.637 -2.661 1.00 52.51 H new ATOM 0 HD21 LEU A 4 8.046 0.828 -1.270 1.00 54.24 H new ATOM 0 HD22 LEU A 4 8.797 -0.108 -2.585 1.00 54.24 H new ATOM 0 HD23 LEU A 4 8.427 -0.894 -1.032 1.00 54.24 H new ATOM 57 N LYS A 5 13.579 -1.564 0.609 1.00 13.54 N ATOM 58 CA LYS A 5 14.618 -1.161 1.550 1.00 71.05 C ATOM 59 C LYS A 5 15.995 -1.222 0.897 1.00 43.00 C ATOM 60 O LYS A 5 16.606 -0.191 0.617 1.00 32.32 O ATOM 61 CB LYS A 5 14.589 -2.059 2.789 1.00 52.43 C ATOM 62 CG LYS A 5 15.480 -1.568 3.916 1.00 2.33 C ATOM 63 CD LYS A 5 14.841 -0.413 4.670 1.00 64.21 C ATOM 64 CE LYS A 5 15.673 -0.008 5.877 1.00 14.15 C ATOM 65 NZ LYS A 5 16.069 -1.185 6.699 1.00 74.43 N ATOM 0 H LYS A 5 13.924 -2.055 -0.216 1.00 13.54 H new ATOM 0 HA LYS A 5 14.422 -0.132 1.851 1.00 71.05 H new ATOM 0 HB2 LYS A 5 13.564 -2.130 3.152 1.00 52.43 H new ATOM 0 HB3 LYS A 5 14.897 -3.065 2.505 1.00 52.43 H new ATOM 0 HG2 LYS A 5 15.680 -2.388 4.606 1.00 2.33 H new ATOM 0 HG3 LYS A 5 16.441 -1.251 3.510 1.00 2.33 H new ATOM 0 HD2 LYS A 5 14.727 0.441 4.002 1.00 64.21 H new ATOM 0 HD3 LYS A 5 13.841 -0.698 4.995 1.00 64.21 H new ATOM 0 HE2 LYS A 5 16.567 0.518 5.542 1.00 14.15 H new ATOM 0 HE3 LYS A 5 15.105 0.690 6.492 1.00 14.15 H new ATOM 0 HZ1 LYS A 5 16.375 -0.864 7.640 1.00 74.43 H new ATOM 0 HZ2 LYS A 5 15.257 -1.828 6.799 1.00 74.43 H new ATOM 0 HZ3 LYS A 5 16.852 -1.686 6.233 1.00 74.43 H new ATOM 79 N ASN A 6 16.478 -2.437 0.656 1.00 13.21 N ATOM 80 CA ASN A 6 17.783 -2.631 0.035 1.00 31.52 C ATOM 81 C ASN A 6 17.768 -2.170 -1.419 1.00 11.01 C ATOM 82 O ASN A 6 16.712 -2.094 -2.046 1.00 1.14 O ATOM 83 CB ASN A 6 18.192 -4.104 0.110 1.00 1.14 C ATOM 84 CG ASN A 6 19.694 -4.281 0.227 1.00 73.42 C ATOM 85 OD1 ASN A 6 20.457 -3.329 0.067 1.00 12.32 O ATOM 86 ND2 ASN A 6 20.125 -5.506 0.506 1.00 34.10 N ATOM 0 H ASN A 6 15.985 -3.301 0.881 1.00 13.21 H new ATOM 0 HA ASN A 6 18.510 -2.030 0.581 1.00 31.52 H new ATOM 0 HB2 ASN A 6 17.706 -4.570 0.967 1.00 1.14 H new ATOM 0 HB3 ASN A 6 17.836 -4.623 -0.780 1.00 1.14 H new ATOM 0 HD21 ASN A 6 21.125 -5.687 0.596 1.00 34.10 H new ATOM 0 HD22 ASN A 6 19.456 -6.266 0.631 1.00 34.10 H new ATOM 93 N ASN A 7 18.948 -1.864 -1.949 1.00 14.50 N ATOM 94 CA ASN A 7 19.070 -1.409 -3.329 1.00 65.55 C ATOM 95 C ASN A 7 18.879 0.101 -3.424 1.00 42.23 C ATOM 96 O ASN A 7 19.820 0.841 -3.713 1.00 45.01 O ATOM 97 CB ASN A 7 18.046 -2.121 -4.215 1.00 70.14 C ATOM 98 CG ASN A 7 18.556 -2.342 -5.626 1.00 41.14 C ATOM 99 OD1 ASN A 7 19.759 -2.479 -5.849 1.00 41.42 O ATOM 100 ND2 ASN A 7 17.640 -2.377 -6.588 1.00 24.34 N ATOM 0 H ASN A 7 19.832 -1.923 -1.444 1.00 14.50 H new ATOM 0 HA ASN A 7 20.074 -1.652 -3.678 1.00 65.55 H new ATOM 0 HB2 ASN A 7 17.790 -3.082 -3.769 1.00 70.14 H new ATOM 0 HB3 ASN A 7 17.129 -1.532 -4.251 1.00 70.14 H new ATOM 0 HD21 ASN A 7 17.923 -2.522 -7.557 1.00 24.34 H new ATOM 0 HD22 ASN A 7 16.653 -2.259 -6.357 1.00 24.34 H new ATOM 107 N THR A 8 17.654 0.554 -3.178 1.00 75.35 N ATOM 108 CA THR A 8 17.338 1.975 -3.236 1.00 52.34 C ATOM 109 C THR A 8 16.707 2.452 -1.933 1.00 75.13 C ATOM 110 O THR A 8 15.650 1.976 -1.517 1.00 1.22 O ATOM 111 CB THR A 8 16.382 2.291 -4.402 1.00 50.43 C ATOM 112 OG1 THR A 8 16.844 1.657 -5.600 1.00 51.42 O ATOM 113 CG2 THR A 8 16.278 3.793 -4.625 1.00 31.32 C ATOM 0 H THR A 8 16.864 -0.044 -2.936 1.00 75.35 H new ATOM 0 HA THR A 8 18.279 2.501 -3.395 1.00 52.34 H new ATOM 0 HB THR A 8 15.394 1.908 -4.146 1.00 50.43 H new ATOM 0 HG1 THR A 8 16.230 1.861 -6.336 1.00 51.42 H new ATOM 0 HG21 THR A 8 15.598 3.992 -5.453 1.00 31.32 H new ATOM 0 HG22 THR A 8 15.898 4.270 -3.721 1.00 31.32 H new ATOM 0 HG23 THR A 8 17.263 4.195 -4.861 1.00 31.32 H new ATOM 121 N PRO A 9 17.367 3.415 -1.272 1.00 74.45 N ATOM 122 CA PRO A 9 16.887 3.978 -0.007 1.00 30.42 C ATOM 123 C PRO A 9 15.633 4.826 -0.188 1.00 32.31 C ATOM 124 O PRO A 9 15.423 5.425 -1.243 1.00 23.13 O ATOM 125 CB PRO A 9 18.057 4.846 0.461 1.00 42.51 C ATOM 126 CG PRO A 9 18.785 5.206 -0.788 1.00 61.12 C ATOM 127 CD PRO A 9 18.632 4.028 -1.710 1.00 54.14 C ATOM 0 HA PRO A 9 16.604 3.201 0.703 1.00 30.42 H new ATOM 0 HB2 PRO A 9 17.706 5.735 0.985 1.00 42.51 H new ATOM 0 HB3 PRO A 9 18.701 4.303 1.152 1.00 42.51 H new ATOM 0 HG2 PRO A 9 18.369 6.109 -1.236 1.00 61.12 H new ATOM 0 HG3 PRO A 9 19.836 5.407 -0.583 1.00 61.12 H new ATOM 0 HD2 PRO A 9 18.588 4.338 -2.754 1.00 54.14 H new ATOM 0 HD3 PRO A 9 19.468 3.334 -1.618 1.00 54.14 H new ATOM 135 N VAL A 10 14.801 4.873 0.848 1.00 71.41 N ATOM 136 CA VAL A 10 13.568 5.649 0.803 1.00 14.05 C ATOM 137 C VAL A 10 13.846 7.134 1.005 1.00 12.30 C ATOM 138 O VAL A 10 14.306 7.552 2.068 1.00 64.54 O ATOM 139 CB VAL A 10 12.567 5.175 1.875 1.00 43.34 C ATOM 140 CG1 VAL A 10 11.277 5.976 1.791 1.00 34.13 C ATOM 141 CG2 VAL A 10 12.292 3.687 1.724 1.00 33.25 C ATOM 0 H VAL A 10 14.959 4.383 1.728 1.00 71.41 H new ATOM 0 HA VAL A 10 13.132 5.495 -0.184 1.00 14.05 H new ATOM 0 HB VAL A 10 13.006 5.342 2.858 1.00 43.34 H new ATOM 0 HG11 VAL A 10 10.582 5.628 2.555 1.00 34.13 H new ATOM 0 HG12 VAL A 10 11.493 7.032 1.952 1.00 34.13 H new ATOM 0 HG13 VAL A 10 10.830 5.843 0.806 1.00 34.13 H new ATOM 0 HG21 VAL A 10 11.583 3.369 2.489 1.00 33.25 H new ATOM 0 HG22 VAL A 10 11.872 3.493 0.737 1.00 33.25 H new ATOM 0 HG23 VAL A 10 13.223 3.132 1.838 1.00 33.25 H new ATOM 151 N SER A 11 13.562 7.929 -0.022 1.00 64.44 N ATOM 152 CA SER A 11 13.785 9.368 0.040 1.00 1.43 C ATOM 153 C SER A 11 12.634 10.065 0.759 1.00 1.34 C ATOM 154 O SER A 11 11.476 9.670 0.629 1.00 44.31 O ATOM 155 CB SER A 11 13.944 9.943 -1.369 1.00 12.04 C ATOM 156 OG SER A 11 13.883 8.919 -2.347 1.00 1.43 O ATOM 0 H SER A 11 13.177 7.600 -0.907 1.00 64.44 H new ATOM 0 HA SER A 11 14.702 9.545 0.602 1.00 1.43 H new ATOM 0 HB2 SER A 11 13.160 10.677 -1.557 1.00 12.04 H new ATOM 0 HB3 SER A 11 14.896 10.468 -1.446 1.00 12.04 H new ATOM 0 HG SER A 11 13.985 9.312 -3.239 1.00 1.43 H new ATOM 162 N ASN A 12 12.962 11.105 1.519 1.00 5.14 N ATOM 163 CA ASN A 12 11.957 11.858 2.261 1.00 60.14 C ATOM 164 C ASN A 12 11.063 10.922 3.069 1.00 41.24 C ATOM 165 O ASN A 12 9.949 10.598 2.654 1.00 24.11 O ATOM 166 CB ASN A 12 11.106 12.693 1.302 1.00 52.01 C ATOM 167 CG ASN A 12 11.172 14.176 1.612 1.00 22.02 C ATOM 168 OD1 ASN A 12 10.661 14.631 2.635 1.00 33.14 O ATOM 169 ND2 ASN A 12 11.805 14.938 0.727 1.00 35.30 N ATOM 0 H ASN A 12 13.916 11.446 1.637 1.00 5.14 H new ATOM 0 HA ASN A 12 12.474 12.524 2.952 1.00 60.14 H new ATOM 0 HB2 ASN A 12 11.443 12.523 0.280 1.00 52.01 H new ATOM 0 HB3 ASN A 12 10.070 12.359 1.356 1.00 52.01 H new ATOM 0 HD21 ASN A 12 11.882 15.943 0.882 1.00 35.30 H new ATOM 0 HD22 ASN A 12 12.214 14.518 -0.108 1.00 35.30 H new ATOM 176 N LEU A 13 11.558 10.492 4.224 1.00 73.10 N ATOM 177 CA LEU A 13 10.804 9.594 5.092 1.00 60.42 C ATOM 178 C LEU A 13 9.699 10.346 5.826 1.00 73.12 C ATOM 179 O LEU A 13 9.447 11.521 5.557 1.00 42.04 O ATOM 180 CB LEU A 13 11.739 8.925 6.101 1.00 34.43 C ATOM 181 CG LEU A 13 11.850 7.403 6.006 1.00 24.43 C ATOM 182 CD1 LEU A 13 10.530 6.746 6.378 1.00 1.15 C ATOM 183 CD2 LEU A 13 12.280 6.986 4.607 1.00 33.31 C ATOM 0 H LEU A 13 12.478 10.750 4.581 1.00 73.10 H new ATOM 0 HA LEU A 13 10.343 8.828 4.469 1.00 60.42 H new ATOM 0 HB2 LEU A 13 12.735 9.350 5.980 1.00 34.43 H new ATOM 0 HB3 LEU A 13 11.402 9.183 7.105 1.00 34.43 H new ATOM 0 HG LEU A 13 12.609 7.069 6.713 1.00 24.43 H new ATOM 0 HD11 LEU A 13 10.629 5.663 6.304 1.00 1.15 H new ATOM 0 HD12 LEU A 13 10.264 7.017 7.400 1.00 1.15 H new ATOM 0 HD13 LEU A 13 9.750 7.086 5.697 1.00 1.15 H new ATOM 0 HD21 LEU A 13 12.354 5.900 4.558 1.00 33.31 H new ATOM 0 HD22 LEU A 13 11.544 7.333 3.882 1.00 33.31 H new ATOM 0 HD23 LEU A 13 13.250 7.426 4.378 1.00 33.31 H new ATOM 195 N THR A 14 9.042 9.661 6.757 1.00 15.41 N ATOM 196 CA THR A 14 7.964 10.265 7.531 1.00 30.52 C ATOM 197 C THR A 14 8.128 9.976 9.019 1.00 74.10 C ATOM 198 O THR A 14 8.474 8.862 9.411 1.00 54.22 O ATOM 199 CB THR A 14 6.586 9.754 7.069 1.00 22.41 C ATOM 200 OG1 THR A 14 6.639 8.341 6.840 1.00 1.05 O ATOM 201 CG2 THR A 14 6.145 10.462 5.797 1.00 10.14 C ATOM 0 H THR A 14 9.237 8.688 6.993 1.00 15.41 H new ATOM 0 HA THR A 14 8.019 11.341 7.364 1.00 30.52 H new ATOM 0 HB THR A 14 5.862 9.968 7.855 1.00 22.41 H new ATOM 0 HG1 THR A 14 5.759 8.024 6.548 1.00 1.05 H new ATOM 0 HG21 THR A 14 5.170 10.085 5.490 1.00 10.14 H new ATOM 0 HG22 THR A 14 6.078 11.534 5.982 1.00 10.14 H new ATOM 0 HG23 THR A 14 6.871 10.275 5.006 1.00 10.14 H new ATOM 209 N GLY A 15 7.876 10.987 9.845 1.00 54.22 N ATOM 210 CA GLY A 15 8.000 10.821 11.281 1.00 30.20 C ATOM 211 C GLY A 15 6.848 11.449 12.039 1.00 12.25 C ATOM 212 O GLY A 15 7.058 12.259 12.941 1.00 20.14 O ATOM 0 H GLY A 15 7.588 11.918 9.545 1.00 54.22 H new ATOM 0 HA2 GLY A 15 8.050 9.758 11.518 1.00 30.20 H new ATOM 0 HA3 GLY A 15 8.937 11.267 11.616 1.00 30.20 H new ATOM 216 N ASN A 16 5.626 11.076 11.672 1.00 41.51 N ATOM 217 CA ASN A 16 4.436 11.611 12.323 1.00 54.22 C ATOM 218 C ASN A 16 4.226 10.965 13.689 1.00 73.33 C ATOM 219 O ASN A 16 4.443 9.765 13.860 1.00 2.14 O ATOM 220 CB ASN A 16 3.204 11.385 11.444 1.00 15.23 C ATOM 221 CG ASN A 16 3.323 12.066 10.095 1.00 40.24 C ATOM 222 OD1 ASN A 16 3.712 11.445 9.106 1.00 64.13 O ATOM 223 ND2 ASN A 16 2.988 13.350 10.048 1.00 13.33 N ATOM 0 H ASN A 16 5.434 10.406 10.928 1.00 41.51 H new ATOM 0 HA ASN A 16 4.581 12.682 12.466 1.00 54.22 H new ATOM 0 HB2 ASN A 16 3.058 10.315 11.296 1.00 15.23 H new ATOM 0 HB3 ASN A 16 2.320 11.759 11.960 1.00 15.23 H new ATOM 0 HD21 ASN A 16 3.048 13.861 9.167 1.00 13.33 H new ATOM 0 HD22 ASN A 16 2.671 13.825 10.893 1.00 13.33 H new ATOM 230 N LYS A 17 3.801 11.768 14.658 1.00 32.22 N ATOM 231 CA LYS A 17 3.559 11.276 16.009 1.00 32.52 C ATOM 232 C LYS A 17 2.684 10.026 15.985 1.00 40.25 C ATOM 233 O LYS A 17 2.773 9.177 16.870 1.00 33.01 O ATOM 234 CB LYS A 17 2.893 12.361 16.858 1.00 73.11 C ATOM 235 CG LYS A 17 1.790 13.111 16.130 1.00 23.24 C ATOM 236 CD LYS A 17 2.171 14.561 15.884 1.00 0.25 C ATOM 237 CE LYS A 17 1.962 15.411 17.129 1.00 71.15 C ATOM 238 NZ LYS A 17 0.518 15.652 17.399 1.00 35.35 N ATOM 0 H LYS A 17 3.617 12.763 14.533 1.00 32.22 H new ATOM 0 HA LYS A 17 4.521 11.016 16.451 1.00 32.52 H new ATOM 0 HB2 LYS A 17 2.478 11.904 17.757 1.00 73.11 H new ATOM 0 HB3 LYS A 17 3.652 13.073 17.183 1.00 73.11 H new ATOM 0 HG2 LYS A 17 1.583 12.622 15.178 1.00 23.24 H new ATOM 0 HG3 LYS A 17 0.872 13.069 16.716 1.00 23.24 H new ATOM 0 HD2 LYS A 17 3.215 14.617 15.575 1.00 0.25 H new ATOM 0 HD3 LYS A 17 1.574 14.961 15.064 1.00 0.25 H new ATOM 0 HE2 LYS A 17 2.414 14.915 17.988 1.00 71.15 H new ATOM 0 HE3 LYS A 17 2.473 16.366 17.007 1.00 71.15 H new ATOM 0 HZ1 LYS A 17 0.418 16.427 18.086 1.00 35.35 H new ATOM 0 HZ2 LYS A 17 0.038 15.910 16.513 1.00 35.35 H new ATOM 0 HZ3 LYS A 17 0.088 14.788 17.787 1.00 35.35 H new ATOM 252 N GLY A 18 1.840 9.920 14.963 1.00 54.42 N ATOM 253 CA GLY A 18 0.962 8.771 14.842 1.00 62.23 C ATOM 254 C GLY A 18 1.280 7.925 13.624 1.00 35.04 C ATOM 255 O GLY A 18 1.682 6.769 13.751 1.00 24.24 O ATOM 0 H GLY A 18 1.749 10.609 14.217 1.00 54.42 H new ATOM 0 HA2 GLY A 18 1.046 8.157 15.739 1.00 62.23 H new ATOM 0 HA3 GLY A 18 -0.072 9.112 14.784 1.00 62.23 H new ATOM 259 N SER A 19 1.096 8.502 12.441 1.00 62.41 N ATOM 260 CA SER A 19 1.360 7.791 11.195 1.00 4.03 C ATOM 261 C SER A 19 2.762 7.189 11.200 1.00 21.44 C ATOM 262 O SER A 19 3.731 7.850 11.571 1.00 24.30 O ATOM 263 CB SER A 19 1.203 8.735 10.002 1.00 41.13 C ATOM 264 OG SER A 19 -0.116 8.689 9.486 1.00 40.42 O ATOM 0 H SER A 19 0.765 9.459 12.319 1.00 62.41 H new ATOM 0 HA SER A 19 0.636 6.981 11.107 1.00 4.03 H new ATOM 0 HB2 SER A 19 1.443 9.754 10.306 1.00 41.13 H new ATOM 0 HB3 SER A 19 1.912 8.461 9.221 1.00 41.13 H new ATOM 0 HG SER A 19 -0.191 9.302 8.725 1.00 40.42 H new ATOM 270 N GLU A 20 2.860 5.929 10.786 1.00 14.21 N ATOM 271 CA GLU A 20 4.142 5.237 10.744 1.00 63.13 C ATOM 272 C GLU A 20 4.346 4.550 9.396 1.00 14.12 C ATOM 273 O GLU A 20 3.438 4.506 8.566 1.00 73.10 O ATOM 274 CB GLU A 20 4.228 4.207 11.872 1.00 64.43 C ATOM 275 CG GLU A 20 3.835 4.759 13.232 1.00 72.45 C ATOM 276 CD GLU A 20 2.572 4.120 13.777 1.00 2.21 C ATOM 277 OE1 GLU A 20 1.676 3.793 12.971 1.00 24.42 O ATOM 278 OE2 GLU A 20 2.480 3.948 15.011 1.00 45.23 O ATOM 0 H GLU A 20 2.067 5.368 10.475 1.00 14.21 H new ATOM 0 HA GLU A 20 4.930 5.978 10.878 1.00 63.13 H new ATOM 0 HB2 GLU A 20 3.582 3.363 11.632 1.00 64.43 H new ATOM 0 HB3 GLU A 20 5.247 3.824 11.926 1.00 64.43 H new ATOM 0 HG2 GLU A 20 4.652 4.598 13.935 1.00 72.45 H new ATOM 0 HG3 GLU A 20 3.689 5.836 13.154 1.00 72.45 H new ATOM 285 N VAL A 21 5.544 4.016 9.186 1.00 65.30 N ATOM 286 CA VAL A 21 5.868 3.331 7.940 1.00 22.53 C ATOM 287 C VAL A 21 6.731 2.101 8.198 1.00 65.40 C ATOM 288 O VAL A 21 7.651 2.134 9.016 1.00 11.41 O ATOM 289 CB VAL A 21 6.604 4.264 6.961 1.00 53.41 C ATOM 290 CG1 VAL A 21 5.694 4.648 5.803 1.00 23.44 C ATOM 291 CG2 VAL A 21 7.110 5.503 7.685 1.00 72.03 C ATOM 0 H VAL A 21 6.307 4.044 9.862 1.00 65.30 H new ATOM 0 HA VAL A 21 4.923 3.022 7.494 1.00 22.53 H new ATOM 0 HB VAL A 21 7.464 3.731 6.555 1.00 53.41 H new ATOM 0 HG11 VAL A 21 6.231 5.308 5.121 1.00 23.44 H new ATOM 0 HG12 VAL A 21 5.385 3.749 5.270 1.00 23.44 H new ATOM 0 HG13 VAL A 21 4.813 5.163 6.187 1.00 23.44 H new ATOM 0 HG21 VAL A 21 7.628 6.151 6.978 1.00 72.03 H new ATOM 0 HG22 VAL A 21 6.267 6.040 8.120 1.00 72.03 H new ATOM 0 HG23 VAL A 21 7.798 5.206 8.476 1.00 72.03 H new ATOM 301 N PHE A 22 6.430 1.015 7.494 1.00 73.31 N ATOM 302 CA PHE A 22 7.178 -0.228 7.646 1.00 11.43 C ATOM 303 C PHE A 22 7.470 -0.857 6.287 1.00 2.22 C ATOM 304 O PHE A 22 6.676 -0.740 5.353 1.00 23.34 O ATOM 305 CB PHE A 22 6.399 -1.213 8.520 1.00 10.11 C ATOM 306 CG PHE A 22 4.994 -1.454 8.046 1.00 2.31 C ATOM 307 CD1 PHE A 22 4.735 -2.376 7.045 1.00 23.44 C ATOM 308 CD2 PHE A 22 3.933 -0.758 8.602 1.00 53.25 C ATOM 309 CE1 PHE A 22 3.444 -2.599 6.607 1.00 73.11 C ATOM 310 CE2 PHE A 22 2.639 -0.977 8.167 1.00 12.44 C ATOM 311 CZ PHE A 22 2.394 -1.899 7.169 1.00 20.34 C ATOM 0 H PHE A 22 5.673 0.970 6.812 1.00 73.31 H new ATOM 0 HA PHE A 22 8.127 0.005 8.130 1.00 11.43 H new ATOM 0 HB2 PHE A 22 6.933 -2.163 8.547 1.00 10.11 H new ATOM 0 HB3 PHE A 22 6.369 -0.835 9.542 1.00 10.11 H new ATOM 0 HD1 PHE A 22 5.552 -2.927 6.602 1.00 23.44 H new ATOM 0 HD2 PHE A 22 4.119 -0.036 9.384 1.00 53.25 H new ATOM 0 HE1 PHE A 22 3.256 -3.320 5.826 1.00 73.11 H new ATOM 0 HE2 PHE A 22 1.820 -0.427 8.608 1.00 12.44 H new ATOM 0 HZ PHE A 22 1.384 -2.073 6.828 1.00 20.34 H new ATOM 321 N TYR A 23 8.615 -1.523 6.185 1.00 52.15 N ATOM 322 CA TYR A 23 9.014 -2.168 4.940 1.00 65.24 C ATOM 323 C TYR A 23 9.739 -3.482 5.215 1.00 32.33 C ATOM 324 O TYR A 23 10.168 -3.746 6.339 1.00 15.33 O ATOM 325 CB TYR A 23 9.915 -1.238 4.125 1.00 73.03 C ATOM 326 CG TYR A 23 9.449 0.200 4.115 1.00 54.30 C ATOM 327 CD1 TYR A 23 8.362 0.594 3.344 1.00 12.13 C ATOM 328 CD2 TYR A 23 10.095 1.165 4.878 1.00 52.53 C ATOM 329 CE1 TYR A 23 7.933 1.907 3.332 1.00 42.30 C ATOM 330 CE2 TYR A 23 9.672 2.481 4.873 1.00 62.23 C ATOM 331 CZ TYR A 23 8.591 2.847 4.098 1.00 64.21 C ATOM 332 OH TYR A 23 8.167 4.156 4.089 1.00 34.44 O ATOM 0 H TYR A 23 9.282 -1.630 6.949 1.00 52.15 H new ATOM 0 HA TYR A 23 8.112 -2.384 4.368 1.00 65.24 H new ATOM 0 HB2 TYR A 23 10.927 -1.281 4.528 1.00 73.03 H new ATOM 0 HB3 TYR A 23 9.965 -1.602 3.099 1.00 73.03 H new ATOM 0 HD1 TYR A 23 7.844 -0.139 2.744 1.00 12.13 H new ATOM 0 HD2 TYR A 23 10.942 0.882 5.485 1.00 52.53 H new ATOM 0 HE1 TYR A 23 7.087 2.196 2.726 1.00 42.30 H new ATOM 0 HE2 TYR A 23 10.185 3.219 5.472 1.00 62.23 H new ATOM 0 HH TYR A 23 8.737 4.688 4.683 1.00 34.44 H new ATOM 342 N THR A 24 9.873 -4.305 4.180 1.00 74.43 N ATOM 343 CA THR A 24 10.544 -5.592 4.308 1.00 30.52 C ATOM 344 C THR A 24 11.447 -5.864 3.110 1.00 13.32 C ATOM 345 O THR A 24 11.087 -5.571 1.970 1.00 54.21 O ATOM 346 CB THR A 24 9.530 -6.744 4.444 1.00 71.05 C ATOM 347 OG1 THR A 24 8.364 -6.290 5.140 1.00 74.53 O ATOM 348 CG2 THR A 24 10.144 -7.921 5.186 1.00 71.43 C ATOM 0 H THR A 24 9.525 -4.103 3.243 1.00 74.43 H new ATOM 0 HA THR A 24 11.150 -5.543 5.212 1.00 30.52 H new ATOM 0 HB THR A 24 9.250 -7.073 3.443 1.00 71.05 H new ATOM 0 HG1 THR A 24 7.724 -7.027 5.221 1.00 74.53 H new ATOM 0 HG21 THR A 24 9.409 -8.722 5.270 1.00 71.43 H new ATOM 0 HG22 THR A 24 11.014 -8.283 4.638 1.00 71.43 H new ATOM 0 HG23 THR A 24 10.449 -7.603 6.183 1.00 71.43 H new ATOM 356 N PHE A 25 12.621 -6.426 3.376 1.00 44.44 N ATOM 357 CA PHE A 25 13.577 -6.736 2.318 1.00 35.34 C ATOM 358 C PHE A 25 14.576 -7.792 2.781 1.00 31.34 C ATOM 359 O PHE A 25 14.724 -8.042 3.978 1.00 33.33 O ATOM 360 CB PHE A 25 14.319 -5.471 1.885 1.00 51.35 C ATOM 361 CG PHE A 25 14.401 -5.305 0.394 1.00 71.11 C ATOM 362 CD1 PHE A 25 13.344 -4.757 -0.315 1.00 11.35 C ATOM 363 CD2 PHE A 25 15.535 -5.697 -0.299 1.00 30.23 C ATOM 364 CE1 PHE A 25 13.417 -4.604 -1.686 1.00 54.02 C ATOM 365 CE2 PHE A 25 15.614 -5.547 -1.670 1.00 54.54 C ATOM 366 CZ PHE A 25 14.553 -4.998 -2.365 1.00 22.21 C ATOM 0 H PHE A 25 12.934 -6.676 4.314 1.00 44.44 H new ATOM 0 HA PHE A 25 13.023 -7.133 1.467 1.00 35.34 H new ATOM 0 HB2 PHE A 25 13.819 -4.602 2.312 1.00 51.35 H new ATOM 0 HB3 PHE A 25 15.328 -5.493 2.296 1.00 51.35 H new ATOM 0 HD1 PHE A 25 12.453 -4.446 0.210 1.00 11.35 H new ATOM 0 HD2 PHE A 25 16.368 -6.125 0.239 1.00 30.23 H new ATOM 0 HE1 PHE A 25 12.586 -4.176 -2.227 1.00 54.02 H new ATOM 0 HE2 PHE A 25 16.503 -5.858 -2.198 1.00 54.54 H new ATOM 0 HZ PHE A 25 14.612 -4.877 -3.437 1.00 22.21 H new ATOM 376 N THR A 26 15.261 -8.411 1.824 1.00 14.32 N ATOM 377 CA THR A 26 16.245 -9.441 2.132 1.00 54.20 C ATOM 378 C THR A 26 17.540 -9.212 1.361 1.00 14.01 C ATOM 379 O THR A 26 17.606 -8.357 0.478 1.00 15.42 O ATOM 380 CB THR A 26 15.707 -10.847 1.805 1.00 42.24 C ATOM 381 OG1 THR A 26 15.730 -11.063 0.389 1.00 12.42 O ATOM 382 CG2 THR A 26 14.289 -11.019 2.326 1.00 14.14 C ATOM 0 H THR A 26 15.152 -8.216 0.829 1.00 14.32 H new ATOM 0 HA THR A 26 16.446 -9.377 3.201 1.00 54.20 H new ATOM 0 HB THR A 26 16.348 -11.580 2.295 1.00 42.24 H new ATOM 0 HG1 THR A 26 15.388 -11.959 0.189 1.00 12.42 H new ATOM 0 HG21 THR A 26 13.931 -12.019 2.083 1.00 14.14 H new ATOM 0 HG22 THR A 26 14.280 -10.883 3.407 1.00 14.14 H new ATOM 0 HG23 THR A 26 13.638 -10.278 1.862 1.00 14.14 H new ATOM 390 N VAL A 27 18.569 -9.982 1.700 1.00 74.43 N ATOM 391 CA VAL A 27 19.862 -9.865 1.038 1.00 42.24 C ATOM 392 C VAL A 27 20.128 -11.063 0.133 1.00 54.10 C ATOM 393 O VAL A 27 19.404 -12.058 0.176 1.00 62.24 O ATOM 394 CB VAL A 27 21.007 -9.744 2.061 1.00 64.24 C ATOM 395 CG1 VAL A 27 20.857 -8.474 2.884 1.00 51.14 C ATOM 396 CG2 VAL A 27 21.049 -10.970 2.960 1.00 30.31 C ATOM 0 H VAL A 27 18.532 -10.694 2.430 1.00 74.43 H new ATOM 0 HA VAL A 27 19.827 -8.959 0.434 1.00 42.24 H new ATOM 0 HB VAL A 27 21.951 -9.687 1.519 1.00 64.24 H new ATOM 0 HG11 VAL A 27 21.675 -8.406 3.601 1.00 51.14 H new ATOM 0 HG12 VAL A 27 20.881 -7.607 2.223 1.00 51.14 H new ATOM 0 HG13 VAL A 27 19.907 -8.497 3.418 1.00 51.14 H new ATOM 0 HG21 VAL A 27 21.864 -10.868 3.677 1.00 30.31 H new ATOM 0 HG22 VAL A 27 20.104 -11.061 3.495 1.00 30.31 H new ATOM 0 HG23 VAL A 27 21.209 -11.861 2.353 1.00 30.31 H new ATOM 406 N ASP A 28 21.169 -10.960 -0.685 1.00 25.34 N ATOM 407 CA ASP A 28 21.532 -12.037 -1.599 1.00 43.55 C ATOM 408 C ASP A 28 22.660 -12.885 -1.020 1.00 72.22 C ATOM 409 O ASP A 28 22.579 -14.114 -1.002 1.00 13.54 O ATOM 410 CB ASP A 28 21.953 -11.463 -2.954 1.00 33.42 C ATOM 411 CG ASP A 28 20.788 -10.859 -3.714 1.00 21.44 C ATOM 412 OD1 ASP A 28 19.656 -10.891 -3.188 1.00 34.43 O ATOM 413 OD2 ASP A 28 21.009 -10.354 -4.834 1.00 3.03 O ATOM 0 H ASP A 28 21.776 -10.142 -0.734 1.00 25.34 H new ATOM 0 HA ASP A 28 20.658 -12.673 -1.737 1.00 43.55 H new ATOM 0 HB2 ASP A 28 22.717 -10.701 -2.801 1.00 33.42 H new ATOM 0 HB3 ASP A 28 22.405 -12.252 -3.555 1.00 33.42 H new ATOM 418 N ARG A 29 23.711 -12.222 -0.549 1.00 71.04 N ATOM 419 CA ARG A 29 24.856 -12.916 0.028 1.00 12.42 C ATOM 420 C ARG A 29 25.324 -12.223 1.305 1.00 51.45 C ATOM 421 O ARG A 29 24.834 -11.150 1.656 1.00 61.24 O ATOM 422 CB ARG A 29 26.004 -12.978 -0.981 1.00 74.22 C ATOM 423 CG ARG A 29 26.761 -11.668 -1.125 1.00 33.04 C ATOM 424 CD ARG A 29 25.897 -10.592 -1.764 1.00 35.32 C ATOM 425 NE ARG A 29 26.681 -9.682 -2.594 1.00 13.22 N ATOM 426 CZ ARG A 29 26.154 -8.671 -3.276 1.00 12.25 C ATOM 427 NH1 ARG A 29 24.849 -8.442 -3.226 1.00 12.13 N ATOM 428 NH2 ARG A 29 26.933 -7.886 -4.009 1.00 10.24 N ATOM 0 H ARG A 29 23.793 -11.205 -0.556 1.00 71.04 H new ATOM 0 HA ARG A 29 24.546 -13.931 0.278 1.00 12.42 H new ATOM 0 HB2 ARG A 29 26.701 -13.759 -0.678 1.00 74.22 H new ATOM 0 HB3 ARG A 29 25.606 -13.266 -1.954 1.00 74.22 H new ATOM 0 HG2 ARG A 29 27.097 -11.331 -0.144 1.00 33.04 H new ATOM 0 HG3 ARG A 29 27.653 -11.827 -1.731 1.00 33.04 H new ATOM 0 HD2 ARG A 29 25.124 -11.062 -2.372 1.00 35.32 H new ATOM 0 HD3 ARG A 29 25.389 -10.025 -0.984 1.00 35.32 H new ATOM 0 HE ARG A 29 27.688 -9.831 -2.653 1.00 13.22 H new ATOM 0 HH11 ARG A 29 24.247 -9.043 -2.663 1.00 12.13 H new ATOM 0 HH12 ARG A 29 24.447 -7.665 -3.751 1.00 12.13 H new ATOM 0 HH21 ARG A 29 27.938 -8.058 -4.049 1.00 10.24 H new ATOM 0 HH22 ARG A 29 26.527 -7.110 -4.532 1.00 10.24 H new ATOM 442 N ASN A 30 26.275 -12.844 1.994 1.00 31.14 N ATOM 443 CA ASN A 30 26.809 -12.288 3.232 1.00 14.34 C ATOM 444 C ASN A 30 27.836 -11.198 2.941 1.00 53.12 C ATOM 445 O ASN A 30 28.879 -11.458 2.342 1.00 74.13 O ATOM 446 CB ASN A 30 27.446 -13.391 4.079 1.00 71.50 C ATOM 447 CG ASN A 30 28.461 -14.204 3.299 1.00 25.35 C ATOM 448 OD1 ASN A 30 28.122 -14.870 2.321 1.00 55.50 O ATOM 449 ND2 ASN A 30 29.716 -14.154 3.731 1.00 23.13 N ATOM 0 H ASN A 30 26.692 -13.733 1.716 1.00 31.14 H new ATOM 0 HA ASN A 30 25.982 -11.845 3.787 1.00 14.34 H new ATOM 0 HB2 ASN A 30 27.931 -12.945 4.947 1.00 71.50 H new ATOM 0 HB3 ASN A 30 26.666 -14.053 4.455 1.00 71.50 H new ATOM 0 HD21 ASN A 30 30.443 -14.681 3.247 1.00 23.13 H new ATOM 0 HD22 ASN A 30 29.953 -13.589 4.546 1.00 23.13 H new ATOM 456 N ALA A 31 27.533 -9.977 3.370 1.00 72.05 N ATOM 457 CA ALA A 31 28.430 -8.848 3.157 1.00 22.31 C ATOM 458 C ALA A 31 28.436 -7.917 4.364 1.00 12.43 C ATOM 459 O ALA A 31 27.410 -7.723 5.018 1.00 60.21 O ATOM 460 CB ALA A 31 28.032 -8.086 1.902 1.00 70.33 C ATOM 0 H ALA A 31 26.673 -9.745 3.867 1.00 72.05 H new ATOM 0 HA ALA A 31 29.440 -9.238 3.026 1.00 22.31 H new ATOM 0 HB1 ALA A 31 28.711 -7.246 1.756 1.00 70.33 H new ATOM 0 HB2 ALA A 31 28.087 -8.751 1.040 1.00 70.33 H new ATOM 0 HB3 ALA A 31 27.013 -7.715 2.010 1.00 70.33 H new ATOM 466 N THR A 32 29.598 -7.341 4.657 1.00 40.15 N ATOM 467 CA THR A 32 29.737 -6.431 5.786 1.00 5.14 C ATOM 468 C THR A 32 29.816 -4.982 5.319 1.00 34.10 C ATOM 469 O THR A 32 30.832 -4.548 4.779 1.00 65.34 O ATOM 470 CB THR A 32 30.991 -6.758 6.620 1.00 40.14 C ATOM 471 OG1 THR A 32 31.222 -5.725 7.584 1.00 52.54 O ATOM 472 CG2 THR A 32 32.212 -6.906 5.725 1.00 43.43 C ATOM 0 H THR A 32 30.457 -7.489 4.127 1.00 40.15 H new ATOM 0 HA THR A 32 28.851 -6.562 6.407 1.00 5.14 H new ATOM 0 HB THR A 32 30.821 -7.703 7.136 1.00 40.14 H new ATOM 0 HG1 THR A 32 32.020 -5.941 8.111 1.00 52.54 H new ATOM 0 HG21 THR A 32 33.085 -7.137 6.336 1.00 43.43 H new ATOM 0 HG22 THR A 32 32.045 -7.713 5.012 1.00 43.43 H new ATOM 0 HG23 THR A 32 32.383 -5.974 5.185 1.00 43.43 H new ATOM 480 N ALA A 33 28.735 -4.238 5.531 1.00 3.34 N ATOM 481 CA ALA A 33 28.683 -2.836 5.134 1.00 21.21 C ATOM 482 C ALA A 33 28.043 -1.981 6.222 1.00 52.30 C ATOM 483 O ALA A 33 27.160 -2.439 6.948 1.00 65.33 O ATOM 484 CB ALA A 33 27.921 -2.687 3.826 1.00 44.45 C ATOM 0 H ALA A 33 27.884 -4.583 5.975 1.00 3.34 H new ATOM 0 HA ALA A 33 29.705 -2.486 4.988 1.00 21.21 H new ATOM 0 HB1 ALA A 33 27.890 -1.635 3.541 1.00 44.45 H new ATOM 0 HB2 ALA A 33 28.422 -3.260 3.046 1.00 44.45 H new ATOM 0 HB3 ALA A 33 26.904 -3.059 3.953 1.00 44.45 H new ATOM 490 N VAL A 34 28.493 -0.735 6.330 1.00 3.34 N ATOM 491 CA VAL A 34 27.964 0.185 7.330 1.00 52.31 C ATOM 492 C VAL A 34 27.100 1.262 6.683 1.00 50.02 C ATOM 493 O VAL A 34 27.600 2.120 5.956 1.00 52.45 O ATOM 494 CB VAL A 34 29.096 0.861 8.126 1.00 31.14 C ATOM 495 CG1 VAL A 34 30.118 1.478 7.184 1.00 70.54 C ATOM 496 CG2 VAL A 34 28.529 1.910 9.072 1.00 63.35 C ATOM 0 H VAL A 34 29.223 -0.339 5.737 1.00 3.34 H new ATOM 0 HA VAL A 34 27.353 -0.406 8.012 1.00 52.31 H new ATOM 0 HB VAL A 34 29.601 0.101 8.722 1.00 31.14 H new ATOM 0 HG11 VAL A 34 30.910 1.951 7.765 1.00 70.54 H new ATOM 0 HG12 VAL A 34 30.547 0.700 6.552 1.00 70.54 H new ATOM 0 HG13 VAL A 34 29.631 2.226 6.558 1.00 70.54 H new ATOM 0 HG21 VAL A 34 29.343 2.378 9.626 1.00 63.35 H new ATOM 0 HG22 VAL A 34 27.998 2.669 8.497 1.00 63.35 H new ATOM 0 HG23 VAL A 34 27.840 1.436 9.770 1.00 63.35 H new ATOM 506 N VAL A 35 25.799 1.211 6.953 1.00 64.14 N ATOM 507 CA VAL A 35 24.865 2.183 6.398 1.00 32.11 C ATOM 508 C VAL A 35 24.033 2.834 7.497 1.00 13.11 C ATOM 509 O VAL A 35 23.618 2.174 8.449 1.00 34.24 O ATOM 510 CB VAL A 35 23.919 1.530 5.372 1.00 4.50 C ATOM 511 CG1 VAL A 35 22.937 2.555 4.824 1.00 65.43 C ATOM 512 CG2 VAL A 35 24.717 0.888 4.247 1.00 54.42 C ATOM 0 H VAL A 35 25.369 0.507 7.553 1.00 64.14 H new ATOM 0 HA VAL A 35 25.462 2.946 5.897 1.00 32.11 H new ATOM 0 HB VAL A 35 23.348 0.748 5.874 1.00 4.50 H new ATOM 0 HG11 VAL A 35 22.277 2.076 4.101 1.00 65.43 H new ATOM 0 HG12 VAL A 35 22.344 2.964 5.642 1.00 65.43 H new ATOM 0 HG13 VAL A 35 23.486 3.360 4.336 1.00 65.43 H new ATOM 0 HG21 VAL A 35 24.034 0.431 3.531 1.00 54.42 H new ATOM 0 HG22 VAL A 35 25.314 1.649 3.744 1.00 54.42 H new ATOM 0 HG23 VAL A 35 25.376 0.123 4.659 1.00 54.42 H new ATOM 522 N SER A 36 23.792 4.134 7.358 1.00 21.01 N ATOM 523 CA SER A 36 23.012 4.876 8.341 1.00 13.31 C ATOM 524 C SER A 36 21.967 5.752 7.656 1.00 33.22 C ATOM 525 O SER A 36 22.017 5.964 6.444 1.00 32.23 O ATOM 526 CB SER A 36 23.931 5.741 9.205 1.00 1.53 C ATOM 527 OG SER A 36 24.226 6.970 8.564 1.00 1.32 O ATOM 0 H SER A 36 24.126 4.695 6.574 1.00 21.01 H new ATOM 0 HA SER A 36 22.497 4.157 8.978 1.00 13.31 H new ATOM 0 HB2 SER A 36 23.456 5.934 10.167 1.00 1.53 H new ATOM 0 HB3 SER A 36 24.856 5.202 9.409 1.00 1.53 H new ATOM 0 HG SER A 36 24.814 7.505 9.137 1.00 1.32 H new ATOM 533 N ILE A 37 21.021 6.257 8.441 1.00 2.22 N ATOM 534 CA ILE A 37 19.965 7.110 7.912 1.00 53.34 C ATOM 535 C ILE A 37 20.138 8.552 8.376 1.00 41.52 C ATOM 536 O ILE A 37 20.573 8.806 9.499 1.00 21.21 O ATOM 537 CB ILE A 37 18.571 6.610 8.336 1.00 3.22 C ATOM 538 CG1 ILE A 37 18.145 7.274 9.648 1.00 61.45 C ATOM 539 CG2 ILE A 37 18.573 5.096 8.479 1.00 71.54 C ATOM 540 CD1 ILE A 37 18.930 6.796 10.849 1.00 34.43 C ATOM 0 H ILE A 37 20.965 6.090 9.446 1.00 2.22 H new ATOM 0 HA ILE A 37 20.042 7.069 6.825 1.00 53.34 H new ATOM 0 HB ILE A 37 17.852 6.882 7.563 1.00 3.22 H new ATOM 0 HG12 ILE A 37 18.262 8.354 9.554 1.00 61.45 H new ATOM 0 HG13 ILE A 37 17.085 7.081 9.816 1.00 61.45 H new ATOM 0 HG21 ILE A 37 17.581 4.758 8.779 1.00 71.54 H new ATOM 0 HG22 ILE A 37 18.839 4.641 7.525 1.00 71.54 H new ATOM 0 HG23 ILE A 37 19.301 4.803 9.236 1.00 71.54 H new ATOM 0 HD11 ILE A 37 18.575 7.308 11.743 1.00 34.43 H new ATOM 0 HD12 ILE A 37 18.794 5.721 10.968 1.00 34.43 H new ATOM 0 HD13 ILE A 37 19.988 7.013 10.702 1.00 34.43 H new ATOM 552 N SER A 38 19.793 9.495 7.504 1.00 62.41 N ATOM 553 CA SER A 38 19.912 10.912 7.823 1.00 5.43 C ATOM 554 C SER A 38 19.451 11.774 6.652 1.00 60.12 C ATOM 555 O SER A 38 18.961 11.263 5.646 1.00 61.42 O ATOM 556 CB SER A 38 21.359 11.255 8.185 1.00 51.52 C ATOM 557 OG SER A 38 22.030 11.855 7.090 1.00 72.32 O ATOM 0 H SER A 38 19.429 9.302 6.571 1.00 62.41 H new ATOM 0 HA SER A 38 19.271 11.121 8.679 1.00 5.43 H new ATOM 0 HB2 SER A 38 21.373 11.932 9.039 1.00 51.52 H new ATOM 0 HB3 SER A 38 21.886 10.350 8.487 1.00 51.52 H new ATOM 0 HG SER A 38 22.952 12.066 7.347 1.00 72.32 H new ATOM 563 N GLY A 39 19.612 13.086 6.791 1.00 14.50 N ATOM 564 CA GLY A 39 19.207 13.999 5.738 1.00 51.21 C ATOM 565 C GLY A 39 18.971 15.407 6.249 1.00 22.52 C ATOM 566 O GLY A 39 19.834 15.989 6.904 1.00 2.23 O ATOM 0 H GLY A 39 20.016 13.533 7.614 1.00 14.50 H new ATOM 0 HA2 GLY A 39 19.975 14.021 4.965 1.00 51.21 H new ATOM 0 HA3 GLY A 39 18.295 13.628 5.271 1.00 51.21 H new ATOM 595 N ASP A 43 13.342 12.612 13.449 1.00 2.53 N ATOM 596 CA ASP A 43 12.120 12.116 14.070 1.00 32.22 C ATOM 597 C ASP A 43 11.735 10.754 13.500 1.00 40.32 C ATOM 598 O ASP A 43 10.573 10.352 13.556 1.00 2.54 O ATOM 599 CB ASP A 43 10.977 13.111 13.863 1.00 33.23 C ATOM 600 CG ASP A 43 11.415 14.547 14.069 1.00 43.43 C ATOM 601 OD1 ASP A 43 11.458 14.993 15.234 1.00 0.32 O ATOM 602 OD2 ASP A 43 11.715 15.226 13.064 1.00 41.11 O ATOM 0 HA ASP A 43 12.304 12.004 15.138 1.00 32.22 H new ATOM 0 HB2 ASP A 43 10.578 12.997 12.855 1.00 33.23 H new ATOM 0 HB3 ASP A 43 10.167 12.879 14.555 1.00 33.23 H new ATOM 607 N ALA A 44 12.718 10.050 12.950 1.00 63.44 N ATOM 608 CA ALA A 44 12.483 8.733 12.370 1.00 51.12 C ATOM 609 C ALA A 44 13.213 7.649 13.155 1.00 21.20 C ATOM 610 O ALA A 44 14.443 7.619 13.194 1.00 42.01 O ATOM 611 CB ALA A 44 12.916 8.714 10.911 1.00 22.34 C ATOM 0 H ALA A 44 13.685 10.369 12.894 1.00 63.44 H new ATOM 0 HA ALA A 44 11.414 8.525 12.423 1.00 51.12 H new ATOM 0 HB1 ALA A 44 12.735 7.725 10.491 1.00 22.34 H new ATOM 0 HB2 ALA A 44 12.345 9.456 10.352 1.00 22.34 H new ATOM 0 HB3 ALA A 44 13.978 8.948 10.844 1.00 22.34 H new ATOM 617 N ASP A 45 12.448 6.761 13.780 1.00 71.32 N ATOM 618 CA ASP A 45 13.022 5.674 14.564 1.00 24.12 C ATOM 619 C ASP A 45 13.498 4.542 13.658 1.00 11.24 C ATOM 620 O ASP A 45 12.801 4.146 12.723 1.00 14.53 O ATOM 621 CB ASP A 45 11.997 5.144 15.568 1.00 25.22 C ATOM 622 CG ASP A 45 11.348 6.253 16.373 1.00 64.41 C ATOM 623 OD1 ASP A 45 11.809 7.409 16.269 1.00 14.21 O ATOM 624 OD2 ASP A 45 10.380 5.964 17.106 1.00 53.10 O ATOM 0 H ASP A 45 11.428 6.773 13.759 1.00 71.32 H new ATOM 0 HA ASP A 45 13.882 6.066 15.107 1.00 24.12 H new ATOM 0 HB2 ASP A 45 11.226 4.586 15.036 1.00 25.22 H new ATOM 0 HB3 ASP A 45 12.485 4.445 16.246 1.00 25.22 H new ATOM 629 N LEU A 46 14.689 4.026 13.941 1.00 52.01 N ATOM 630 CA LEU A 46 15.259 2.940 13.151 1.00 31.02 C ATOM 631 C LEU A 46 15.116 1.606 13.877 1.00 70.13 C ATOM 632 O LEU A 46 15.521 1.469 15.031 1.00 12.25 O ATOM 633 CB LEU A 46 16.734 3.218 12.856 1.00 71.52 C ATOM 634 CG LEU A 46 17.522 2.064 12.234 1.00 5.32 C ATOM 635 CD1 LEU A 46 18.535 2.591 11.229 1.00 71.20 C ATOM 636 CD2 LEU A 46 18.216 1.249 13.315 1.00 22.35 C ATOM 0 H LEU A 46 15.279 4.342 14.711 1.00 52.01 H new ATOM 0 HA LEU A 46 14.712 2.881 12.210 1.00 31.02 H new ATOM 0 HB2 LEU A 46 16.795 4.076 12.186 1.00 71.52 H new ATOM 0 HB3 LEU A 46 17.222 3.505 13.787 1.00 71.52 H new ATOM 0 HG LEU A 46 16.823 1.413 11.708 1.00 5.32 H new ATOM 0 HD11 LEU A 46 19.087 1.756 10.796 1.00 71.20 H new ATOM 0 HD12 LEU A 46 18.015 3.131 10.438 1.00 71.20 H new ATOM 0 HD13 LEU A 46 19.230 3.264 11.732 1.00 71.20 H new ATOM 0 HD21 LEU A 46 18.772 0.432 12.854 1.00 22.35 H new ATOM 0 HD22 LEU A 46 18.903 1.889 13.868 1.00 22.35 H new ATOM 0 HD23 LEU A 46 17.471 0.841 13.998 1.00 22.35 H new ATOM 648 N TYR A 47 14.540 0.625 13.191 1.00 30.45 N ATOM 649 CA TYR A 47 14.344 -0.699 13.771 1.00 74.14 C ATOM 650 C TYR A 47 14.752 -1.791 12.786 1.00 55.42 C ATOM 651 O TYR A 47 14.636 -1.622 11.571 1.00 72.40 O ATOM 652 CB TYR A 47 12.882 -0.887 14.181 1.00 22.42 C ATOM 653 CG TYR A 47 12.599 -0.487 15.612 1.00 72.25 C ATOM 654 CD1 TYR A 47 13.348 -1.006 16.660 1.00 0.44 C ATOM 655 CD2 TYR A 47 11.582 0.410 15.914 1.00 40.43 C ATOM 656 CE1 TYR A 47 13.092 -0.643 17.969 1.00 71.34 C ATOM 657 CE2 TYR A 47 11.320 0.780 17.219 1.00 72.41 C ATOM 658 CZ TYR A 47 12.077 0.250 18.243 1.00 60.33 C ATOM 659 OH TYR A 47 11.820 0.614 19.544 1.00 13.35 O ATOM 0 H TYR A 47 14.201 0.721 12.234 1.00 30.45 H new ATOM 0 HA TYR A 47 14.976 -0.778 14.656 1.00 74.14 H new ATOM 0 HB2 TYR A 47 12.248 -0.300 13.516 1.00 22.42 H new ATOM 0 HB3 TYR A 47 12.606 -1.932 14.043 1.00 22.42 H new ATOM 0 HD1 TYR A 47 14.144 -1.705 16.449 1.00 0.44 H new ATOM 0 HD2 TYR A 47 10.986 0.825 15.115 1.00 40.43 H new ATOM 0 HE1 TYR A 47 13.683 -1.056 18.773 1.00 71.34 H new ATOM 0 HE2 TYR A 47 10.527 1.480 17.436 1.00 72.41 H new ATOM 0 HH TYR A 47 11.253 1.413 19.554 1.00 13.35 H new ATOM 669 N LEU A 48 15.229 -2.910 13.318 1.00 31.02 N ATOM 670 CA LEU A 48 15.654 -4.032 12.488 1.00 41.42 C ATOM 671 C LEU A 48 15.572 -5.344 13.261 1.00 2.33 C ATOM 672 O LEU A 48 16.022 -5.433 14.404 1.00 43.22 O ATOM 673 CB LEU A 48 17.083 -3.809 11.988 1.00 32.15 C ATOM 674 CG LEU A 48 17.371 -4.260 10.556 1.00 21.42 C ATOM 675 CD1 LEU A 48 18.858 -4.160 10.254 1.00 23.32 C ATOM 676 CD2 LEU A 48 16.875 -5.682 10.335 1.00 54.32 C ATOM 0 H LEU A 48 15.331 -3.065 14.321 1.00 31.02 H new ATOM 0 HA LEU A 48 14.982 -4.094 11.632 1.00 41.42 H new ATOM 0 HB2 LEU A 48 17.312 -2.746 12.066 1.00 32.15 H new ATOM 0 HB3 LEU A 48 17.766 -4.332 12.657 1.00 32.15 H new ATOM 0 HG LEU A 48 16.837 -3.599 9.873 1.00 21.42 H new ATOM 0 HD11 LEU A 48 19.044 -4.485 9.230 1.00 23.32 H new ATOM 0 HD12 LEU A 48 19.184 -3.127 10.372 1.00 23.32 H new ATOM 0 HD13 LEU A 48 19.413 -4.796 10.943 1.00 23.32 H new ATOM 0 HD21 LEU A 48 17.088 -5.987 9.310 1.00 54.32 H new ATOM 0 HD22 LEU A 48 17.381 -6.355 11.027 1.00 54.32 H new ATOM 0 HD23 LEU A 48 15.800 -5.724 10.510 1.00 54.32 H new ATOM 688 N LYS A 49 14.996 -6.361 12.630 1.00 23.43 N ATOM 689 CA LYS A 49 14.858 -7.671 13.257 1.00 50.25 C ATOM 690 C LYS A 49 15.009 -8.785 12.226 1.00 20.42 C ATOM 691 O LYS A 49 14.282 -8.829 11.234 1.00 31.13 O ATOM 692 CB LYS A 49 13.500 -7.785 13.952 1.00 74.40 C ATOM 693 CG LYS A 49 13.595 -8.217 15.405 1.00 33.21 C ATOM 694 CD LYS A 49 12.249 -8.677 15.939 1.00 33.53 C ATOM 695 CE LYS A 49 12.275 -8.841 17.451 1.00 4.23 C ATOM 696 NZ LYS A 49 11.018 -9.451 17.965 1.00 23.55 N ATOM 0 H LYS A 49 14.617 -6.304 11.685 1.00 23.43 H new ATOM 0 HA LYS A 49 15.649 -7.777 13.999 1.00 50.25 H new ATOM 0 HB2 LYS A 49 12.993 -6.822 13.901 1.00 74.40 H new ATOM 0 HB3 LYS A 49 12.882 -8.500 13.409 1.00 74.40 H new ATOM 0 HG2 LYS A 49 14.320 -9.025 15.498 1.00 33.21 H new ATOM 0 HG3 LYS A 49 13.963 -7.387 16.009 1.00 33.21 H new ATOM 0 HD2 LYS A 49 11.481 -7.954 15.664 1.00 33.53 H new ATOM 0 HD3 LYS A 49 11.977 -9.624 15.474 1.00 33.53 H new ATOM 0 HE2 LYS A 49 13.123 -9.464 17.734 1.00 4.23 H new ATOM 0 HE3 LYS A 49 12.424 -7.868 17.919 1.00 4.23 H new ATOM 0 HZ1 LYS A 49 10.833 -9.105 18.928 1.00 23.55 H new ATOM 0 HZ2 LYS A 49 10.226 -9.188 17.345 1.00 23.55 H new ATOM 0 HZ3 LYS A 49 11.116 -10.486 17.981 1.00 23.55 H new ATOM 710 N ALA A 50 15.957 -9.685 12.469 1.00 74.10 N ATOM 711 CA ALA A 50 16.200 -10.801 11.564 1.00 71.41 C ATOM 712 C ALA A 50 15.194 -11.924 11.794 1.00 55.25 C ATOM 713 O ALA A 50 15.537 -12.980 12.322 1.00 60.30 O ATOM 714 CB ALA A 50 17.620 -11.320 11.735 1.00 20.04 C ATOM 0 H ALA A 50 16.569 -9.662 13.285 1.00 74.10 H new ATOM 0 HA ALA A 50 16.076 -10.441 10.543 1.00 71.41 H new ATOM 0 HB1 ALA A 50 17.787 -12.153 11.053 1.00 20.04 H new ATOM 0 HB2 ALA A 50 18.328 -10.522 11.513 1.00 20.04 H new ATOM 0 HB3 ALA A 50 17.763 -11.657 12.762 1.00 20.04 H new ATOM 720 N GLY A 51 13.948 -11.687 11.393 1.00 11.22 N ATOM 721 CA GLY A 51 12.911 -12.687 11.565 1.00 75.10 C ATOM 722 C GLY A 51 11.517 -12.094 11.499 1.00 70.31 C ATOM 723 O GLY A 51 10.871 -12.125 10.451 1.00 1.25 O ATOM 0 H GLY A 51 13.639 -10.821 10.952 1.00 11.22 H new ATOM 0 HA2 GLY A 51 13.015 -13.450 10.794 1.00 75.10 H new ATOM 0 HA3 GLY A 51 13.046 -13.184 12.525 1.00 75.10 H new ATOM 727 N SER A 52 11.051 -11.555 12.621 1.00 42.21 N ATOM 728 CA SER A 52 9.723 -10.957 12.688 1.00 73.43 C ATOM 729 C SER A 52 9.815 -9.442 12.841 1.00 25.32 C ATOM 730 O SER A 52 10.683 -8.930 13.549 1.00 40.23 O ATOM 731 CB SER A 52 8.931 -11.552 13.854 1.00 60.01 C ATOM 732 OG SER A 52 8.364 -12.802 13.501 1.00 55.54 O ATOM 0 H SER A 52 11.574 -11.520 13.496 1.00 42.21 H new ATOM 0 HA SER A 52 9.205 -11.179 11.755 1.00 73.43 H new ATOM 0 HB2 SER A 52 9.586 -11.677 14.716 1.00 60.01 H new ATOM 0 HB3 SER A 52 8.141 -10.862 14.151 1.00 60.01 H new ATOM 0 HG SER A 52 7.865 -13.162 14.264 1.00 55.54 H new ATOM 738 N LYS A 53 8.915 -8.730 12.173 1.00 73.01 N ATOM 739 CA LYS A 53 8.892 -7.273 12.234 1.00 33.42 C ATOM 740 C LYS A 53 9.099 -6.786 13.664 1.00 1.34 C ATOM 741 O LYS A 53 8.343 -7.122 14.576 1.00 23.03 O ATOM 742 CB LYS A 53 7.564 -6.740 11.690 1.00 64.53 C ATOM 743 CG LYS A 53 7.687 -5.392 11.001 1.00 60.31 C ATOM 744 CD LYS A 53 7.328 -4.252 11.939 1.00 25.11 C ATOM 745 CE LYS A 53 5.936 -3.711 11.652 1.00 45.43 C ATOM 746 NZ LYS A 53 5.903 -2.222 11.685 1.00 74.25 N ATOM 0 H LYS A 53 8.191 -9.138 11.582 1.00 73.01 H new ATOM 0 HA LYS A 53 9.708 -6.895 11.618 1.00 33.42 H new ATOM 0 HB2 LYS A 53 7.153 -7.463 10.985 1.00 64.53 H new ATOM 0 HB3 LYS A 53 6.852 -6.655 12.511 1.00 64.53 H new ATOM 0 HG2 LYS A 53 8.706 -5.259 10.639 1.00 60.31 H new ATOM 0 HG3 LYS A 53 7.033 -5.367 10.129 1.00 60.31 H new ATOM 0 HD2 LYS A 53 7.379 -4.599 12.971 1.00 25.11 H new ATOM 0 HD3 LYS A 53 8.059 -3.450 11.836 1.00 25.11 H new ATOM 0 HE2 LYS A 53 5.605 -4.060 10.674 1.00 45.43 H new ATOM 0 HE3 LYS A 53 5.234 -4.106 12.386 1.00 45.43 H new ATOM 0 HZ1 LYS A 53 5.048 -1.883 11.199 1.00 74.25 H new ATOM 0 HZ2 LYS A 53 5.892 -1.897 12.673 1.00 74.25 H new ATOM 0 HZ3 LYS A 53 6.746 -1.845 11.206 1.00 74.25 H new ATOM 760 N PRO A 54 10.146 -5.973 13.867 1.00 5.33 N ATOM 761 CA PRO A 54 10.476 -5.420 15.184 1.00 11.34 C ATOM 762 C PRO A 54 9.457 -4.385 15.650 1.00 44.21 C ATOM 763 O PRO A 54 8.946 -3.598 14.852 1.00 71.51 O ATOM 764 CB PRO A 54 11.841 -4.764 14.962 1.00 22.14 C ATOM 765 CG PRO A 54 11.876 -4.445 13.508 1.00 40.43 C ATOM 766 CD PRO A 54 11.089 -5.530 12.826 1.00 24.14 C ATOM 0 HA PRO A 54 10.477 -6.187 15.959 1.00 11.34 H new ATOM 0 HB2 PRO A 54 11.951 -3.864 15.567 1.00 22.14 H new ATOM 0 HB3 PRO A 54 12.653 -5.436 15.239 1.00 22.14 H new ATOM 0 HG2 PRO A 54 11.440 -3.465 13.313 1.00 40.43 H new ATOM 0 HG3 PRO A 54 12.901 -4.416 13.139 1.00 40.43 H new ATOM 0 HD2 PRO A 54 10.568 -5.155 11.945 1.00 24.14 H new ATOM 0 HD3 PRO A 54 11.732 -6.345 12.493 1.00 24.14 H new ATOM 774 N THR A 55 9.166 -4.389 16.947 1.00 24.21 N ATOM 775 CA THR A 55 8.208 -3.451 17.519 1.00 65.42 C ATOM 776 C THR A 55 8.907 -2.415 18.392 1.00 62.42 C ATOM 777 O THR A 55 10.126 -2.452 18.562 1.00 4.50 O ATOM 778 CB THR A 55 7.143 -4.179 18.359 1.00 34.53 C ATOM 779 OG1 THR A 55 7.594 -4.317 19.711 1.00 4.21 O ATOM 780 CG2 THR A 55 6.840 -5.553 17.778 1.00 3.53 C ATOM 0 H THR A 55 9.580 -5.032 17.622 1.00 24.21 H new ATOM 0 HA THR A 55 7.720 -2.948 16.684 1.00 65.42 H new ATOM 0 HB THR A 55 6.230 -3.584 18.340 1.00 34.53 H new ATOM 0 HG1 THR A 55 6.910 -4.780 20.238 1.00 4.21 H new ATOM 0 HG21 THR A 55 6.085 -6.048 18.389 1.00 3.53 H new ATOM 0 HG22 THR A 55 6.468 -5.443 16.759 1.00 3.53 H new ATOM 0 HG23 THR A 55 7.750 -6.153 17.769 1.00 3.53 H new ATOM 788 N THR A 56 8.128 -1.491 18.945 1.00 75.42 N ATOM 789 CA THR A 56 8.672 -0.445 19.800 1.00 13.44 C ATOM 790 C THR A 56 9.371 -1.038 21.018 1.00 11.22 C ATOM 791 O THR A 56 10.162 -0.366 21.680 1.00 13.03 O ATOM 792 CB THR A 56 7.570 0.522 20.275 1.00 4.02 C ATOM 793 OG1 THR A 56 6.641 -0.170 21.116 1.00 15.22 O ATOM 794 CG2 THR A 56 6.835 1.129 19.090 1.00 43.12 C ATOM 0 H THR A 56 7.117 -1.446 18.815 1.00 75.42 H new ATOM 0 HA THR A 56 9.397 0.107 19.202 1.00 13.44 H new ATOM 0 HB THR A 56 8.041 1.326 20.840 1.00 4.02 H new ATOM 0 HG1 THR A 56 5.945 0.451 21.415 1.00 15.22 H new ATOM 0 HG21 THR A 56 6.062 1.808 19.450 1.00 43.12 H new ATOM 0 HG22 THR A 56 7.540 1.680 18.468 1.00 43.12 H new ATOM 0 HG23 THR A 56 6.375 0.335 18.502 1.00 43.12 H new ATOM 802 N SER A 57 9.075 -2.301 21.308 1.00 51.12 N ATOM 803 CA SER A 57 9.673 -2.984 22.449 1.00 44.13 C ATOM 804 C SER A 57 10.563 -4.134 21.988 1.00 71.54 C ATOM 805 O SER A 57 11.503 -4.523 22.681 1.00 72.32 O ATOM 806 CB SER A 57 8.583 -3.510 23.384 1.00 23.42 C ATOM 807 OG SER A 57 9.145 -4.065 24.561 1.00 2.51 O ATOM 0 H SER A 57 8.425 -2.872 20.768 1.00 51.12 H new ATOM 0 HA SER A 57 10.289 -2.265 22.990 1.00 44.13 H new ATOM 0 HB2 SER A 57 7.904 -2.699 23.649 1.00 23.42 H new ATOM 0 HB3 SER A 57 7.991 -4.266 22.868 1.00 23.42 H new ATOM 0 HG SER A 57 8.428 -4.393 25.143 1.00 2.51 H new ATOM 813 N SER A 58 10.259 -4.675 20.812 1.00 54.11 N ATOM 814 CA SER A 58 11.027 -5.784 20.258 1.00 2.44 C ATOM 815 C SER A 58 11.971 -5.297 19.162 1.00 35.15 C ATOM 816 O SER A 58 11.542 -4.674 18.191 1.00 32.31 O ATOM 817 CB SER A 58 10.088 -6.855 19.700 1.00 11.53 C ATOM 818 OG SER A 58 10.281 -8.095 20.357 1.00 23.12 O ATOM 0 H SER A 58 9.486 -4.363 20.224 1.00 54.11 H new ATOM 0 HA SER A 58 11.623 -6.217 21.061 1.00 2.44 H new ATOM 0 HB2 SER A 58 9.053 -6.534 19.819 1.00 11.53 H new ATOM 0 HB3 SER A 58 10.263 -6.975 18.631 1.00 11.53 H new ATOM 0 HG SER A 58 9.511 -8.677 20.190 1.00 23.12 H new ATOM 824 N TRP A 59 13.256 -5.586 19.327 1.00 43.13 N ATOM 825 CA TRP A 59 14.262 -5.178 18.352 1.00 74.23 C ATOM 826 C TRP A 59 15.457 -6.124 18.375 1.00 5.40 C ATOM 827 O TRP A 59 15.747 -6.747 19.396 1.00 25.41 O ATOM 828 CB TRP A 59 14.722 -3.747 18.632 1.00 51.44 C ATOM 829 CG TRP A 59 14.528 -3.328 20.058 1.00 61.43 C ATOM 830 CD1 TRP A 59 13.383 -2.842 20.621 1.00 51.13 C ATOM 831 CD2 TRP A 59 15.509 -3.358 21.100 1.00 31.13 C ATOM 832 NE1 TRP A 59 13.593 -2.567 21.951 1.00 73.44 N ATOM 833 CE2 TRP A 59 14.889 -2.876 22.270 1.00 75.24 C ATOM 834 CE3 TRP A 59 16.850 -3.747 21.161 1.00 52.24 C ATOM 835 CZ2 TRP A 59 15.565 -2.773 23.482 1.00 0.41 C ATOM 836 CZ3 TRP A 59 17.520 -3.643 22.365 1.00 72.03 C ATOM 837 CH2 TRP A 59 16.877 -3.160 23.512 1.00 1.03 C ATOM 0 H TRP A 59 13.627 -6.101 20.126 1.00 43.13 H new ATOM 0 HA TRP A 59 13.810 -5.219 17.361 1.00 74.23 H new ATOM 0 HB2 TRP A 59 15.777 -3.655 18.374 1.00 51.44 H new ATOM 0 HB3 TRP A 59 14.175 -3.064 17.983 1.00 51.44 H new ATOM 0 HD1 TRP A 59 12.450 -2.695 20.098 1.00 51.13 H new ATOM 0 HE1 TRP A 59 12.897 -2.193 22.596 1.00 73.44 H new ATOM 0 HE3 TRP A 59 17.354 -4.122 20.282 1.00 52.24 H new ATOM 0 HZ2 TRP A 59 15.071 -2.401 24.368 1.00 0.41 H new ATOM 0 HZ3 TRP A 59 18.557 -3.939 22.423 1.00 72.03 H new ATOM 0 HH2 TRP A 59 17.428 -3.092 24.438 1.00 1.03 H new ATOM 848 N ASP A 60 16.148 -6.225 17.245 1.00 41.12 N ATOM 849 CA ASP A 60 17.314 -7.094 17.137 1.00 41.05 C ATOM 850 C ASP A 60 18.578 -6.278 16.884 1.00 23.33 C ATOM 851 O ASP A 60 19.657 -6.622 17.368 1.00 4.35 O ATOM 852 CB ASP A 60 17.116 -8.111 16.012 1.00 72.42 C ATOM 853 CG ASP A 60 18.040 -9.306 16.142 1.00 44.20 C ATOM 854 OD1 ASP A 60 19.227 -9.180 15.775 1.00 42.41 O ATOM 855 OD2 ASP A 60 17.577 -10.367 16.610 1.00 20.10 O ATOM 0 H ASP A 60 15.921 -5.716 16.391 1.00 41.12 H new ATOM 0 HA ASP A 60 17.429 -7.626 18.082 1.00 41.05 H new ATOM 0 HB2 ASP A 60 16.081 -8.454 16.014 1.00 72.42 H new ATOM 0 HB3 ASP A 60 17.289 -7.625 15.052 1.00 72.42 H new ATOM 860 N CYS A 61 18.437 -5.199 16.123 1.00 4.45 N ATOM 861 CA CYS A 61 19.569 -4.335 15.805 1.00 13.41 C ATOM 862 C CYS A 61 19.138 -2.872 15.753 1.00 63.30 C ATOM 863 O CYS A 61 18.215 -2.512 15.023 1.00 72.43 O ATOM 864 CB CYS A 61 20.189 -4.744 14.469 1.00 65.13 C ATOM 865 SG CYS A 61 20.757 -6.460 14.413 1.00 3.24 S ATOM 0 H CYS A 61 17.551 -4.901 15.715 1.00 4.45 H new ATOM 0 HA CYS A 61 20.314 -4.448 16.593 1.00 13.41 H new ATOM 0 HB2 CYS A 61 19.455 -4.589 13.678 1.00 65.13 H new ATOM 0 HB3 CYS A 61 21.032 -4.086 14.255 1.00 65.13 H new ATOM 0 HG CYS A 61 20.677 -6.982 15.601 1.00 3.24 H new ATOM 871 N ARG A 62 19.813 -2.034 16.533 1.00 34.35 N ATOM 872 CA ARG A 62 19.498 -0.611 16.578 1.00 30.55 C ATOM 873 C ARG A 62 20.415 0.117 17.557 1.00 55.32 C ATOM 874 O ARG A 62 20.980 -0.476 18.476 1.00 53.03 O ATOM 875 CB ARG A 62 18.037 -0.403 16.980 1.00 13.02 C ATOM 876 CG ARG A 62 17.866 0.224 18.354 1.00 3.31 C ATOM 877 CD ARG A 62 16.398 0.395 18.710 1.00 12.51 C ATOM 878 NE ARG A 62 16.208 1.331 19.815 1.00 31.04 N ATOM 879 CZ ARG A 62 16.250 0.975 21.095 1.00 54.44 C ATOM 880 NH1 ARG A 62 16.474 -0.288 21.428 1.00 73.21 N ATOM 881 NH2 ARG A 62 16.067 1.885 22.044 1.00 64.24 N ATOM 0 H ARG A 62 20.581 -2.316 17.142 1.00 34.35 H new ATOM 0 HA ARG A 62 19.656 -0.197 15.582 1.00 30.55 H new ATOM 0 HB2 ARG A 62 17.552 0.231 16.238 1.00 13.02 H new ATOM 0 HB3 ARG A 62 17.524 -1.365 16.962 1.00 13.02 H new ATOM 0 HG2 ARG A 62 18.353 -0.401 19.103 1.00 3.31 H new ATOM 0 HG3 ARG A 62 18.362 1.194 18.377 1.00 3.31 H new ATOM 0 HD2 ARG A 62 15.852 0.750 17.836 1.00 12.51 H new ATOM 0 HD3 ARG A 62 15.975 -0.573 18.978 1.00 12.51 H new ATOM 0 HE ARG A 62 16.034 2.311 19.592 1.00 31.04 H new ATOM 0 HH11 ARG A 62 16.615 -0.990 20.701 1.00 73.21 H new ATOM 0 HH12 ARG A 62 16.506 -0.558 22.411 1.00 73.21 H new ATOM 0 HH21 ARG A 62 15.894 2.858 21.791 1.00 64.24 H new ATOM 0 HH22 ARG A 62 16.099 1.611 23.026 1.00 64.24 H new ATOM 895 N PRO A 63 20.567 1.435 17.356 1.00 33.22 N ATOM 896 CA PRO A 63 21.414 2.273 18.210 1.00 34.01 C ATOM 897 C PRO A 63 20.829 2.454 19.607 1.00 25.20 C ATOM 898 O PRO A 63 20.997 3.503 20.229 1.00 32.13 O ATOM 899 CB PRO A 63 21.450 3.612 17.469 1.00 64.45 C ATOM 900 CG PRO A 63 20.195 3.635 16.667 1.00 11.30 C ATOM 901 CD PRO A 63 19.923 2.208 16.281 1.00 62.34 C ATOM 0 HA PRO A 63 22.398 1.831 18.368 1.00 34.01 H new ATOM 0 HB2 PRO A 63 21.490 4.449 18.166 1.00 64.45 H new ATOM 0 HB3 PRO A 63 22.330 3.687 16.830 1.00 64.45 H new ATOM 0 HG2 PRO A 63 19.369 4.046 17.247 1.00 11.30 H new ATOM 0 HG3 PRO A 63 20.308 4.263 15.784 1.00 11.30 H new ATOM 0 HD2 PRO A 63 18.854 2.004 16.224 1.00 62.34 H new ATOM 0 HD3 PRO A 63 20.345 1.968 15.305 1.00 62.34 H new ATOM 982 N ASN A 68 16.717 10.054 13.714 1.00 54.15 N ATOM 983 CA ASN A 68 17.580 9.981 12.541 1.00 64.42 C ATOM 984 C ASN A 68 19.050 10.053 12.943 1.00 65.45 C ATOM 985 O ASN A 68 19.376 10.341 14.093 1.00 4.11 O ATOM 986 CB ASN A 68 17.250 11.113 11.567 1.00 43.44 C ATOM 987 CG ASN A 68 17.579 12.480 12.136 1.00 64.20 C ATOM 988 OD1 ASN A 68 18.034 13.385 11.277 1.00 61.21 O flip ATOM 989 ND2 ASN A 68 17.426 12.719 13.334 1.00 64.41 N flip ATOM 0 HA ASN A 68 17.402 9.025 12.049 1.00 64.42 H new ATOM 0 HB2 ASN A 68 17.805 10.965 10.641 1.00 43.44 H new ATOM 0 HB3 ASN A 68 16.191 11.073 11.314 1.00 43.44 H new ATOM 0 HD21 ASN A 68 17.074 11.993 13.958 1.00 64.41 H new ATOM 0 HD22 ASN A 68 17.652 13.643 13.703 1.00 64.41 H new ATOM 996 N ASN A 69 19.934 9.789 11.985 1.00 74.41 N ATOM 997 CA ASN A 69 21.369 9.823 12.239 1.00 43.54 C ATOM 998 C ASN A 69 21.777 8.722 13.213 1.00 55.22 C ATOM 999 O ASN A 69 22.882 8.737 13.754 1.00 74.42 O ATOM 1000 CB ASN A 69 21.777 11.189 12.796 1.00 71.03 C ATOM 1001 CG ASN A 69 22.838 11.865 11.950 1.00 44.13 C ATOM 1002 OD1 ASN A 69 23.780 11.223 11.485 1.00 22.53 O ATOM 1003 ND2 ASN A 69 22.690 13.169 11.746 1.00 64.01 N ATOM 0 H ASN A 69 19.681 9.549 11.026 1.00 74.41 H new ATOM 0 HA ASN A 69 21.884 9.655 11.293 1.00 43.54 H new ATOM 0 HB2 ASN A 69 20.899 11.832 12.854 1.00 71.03 H new ATOM 0 HB3 ASN A 69 22.150 11.067 13.813 1.00 71.03 H new ATOM 0 HD21 ASN A 69 23.373 13.678 11.185 1.00 64.01 H new ATOM 0 HD22 ASN A 69 21.894 13.661 12.151 1.00 64.01 H new ATOM 1010 N GLU A 70 20.876 7.769 13.430 1.00 13.02 N ATOM 1011 CA GLU A 70 21.142 6.660 14.339 1.00 12.53 C ATOM 1012 C GLU A 70 20.803 5.325 13.683 1.00 52.20 C ATOM 1013 O GLU A 70 19.632 4.975 13.531 1.00 4.25 O ATOM 1014 CB GLU A 70 20.337 6.826 15.630 1.00 73.30 C ATOM 1015 CG GLU A 70 21.180 6.726 16.890 1.00 12.41 C ATOM 1016 CD GLU A 70 21.768 8.061 17.305 1.00 0.02 C ATOM 1017 OE1 GLU A 70 22.177 8.833 16.413 1.00 21.11 O ATOM 1018 OE2 GLU A 70 21.819 8.333 18.523 1.00 13.31 O ATOM 0 H GLU A 70 19.956 7.742 12.989 1.00 13.02 H new ATOM 0 HA GLU A 70 22.205 6.667 14.579 1.00 12.53 H new ATOM 0 HB2 GLU A 70 19.836 7.794 15.614 1.00 73.30 H new ATOM 0 HB3 GLU A 70 19.558 6.064 15.663 1.00 73.30 H new ATOM 0 HG2 GLU A 70 20.568 6.334 17.702 1.00 12.41 H new ATOM 0 HG3 GLU A 70 21.988 6.012 16.727 1.00 12.41 H new ATOM 1025 N SER A 71 21.836 4.584 13.295 1.00 53.12 N ATOM 1026 CA SER A 71 21.648 3.289 12.651 1.00 45.44 C ATOM 1027 C SER A 71 22.620 2.257 13.214 1.00 34.44 C ATOM 1028 O SER A 71 23.478 2.580 14.036 1.00 23.51 O ATOM 1029 CB SER A 71 21.842 3.416 11.138 1.00 32.23 C ATOM 1030 OG SER A 71 21.083 4.492 10.615 1.00 34.02 O ATOM 0 H SER A 71 22.811 4.858 13.415 1.00 53.12 H new ATOM 0 HA SER A 71 20.631 2.954 12.854 1.00 45.44 H new ATOM 0 HB2 SER A 71 22.898 3.570 10.915 1.00 32.23 H new ATOM 0 HB3 SER A 71 21.545 2.487 10.651 1.00 32.23 H new ATOM 0 HG SER A 71 21.419 5.337 10.980 1.00 34.02 H new ATOM 1036 N CYS A 72 22.477 1.014 12.767 1.00 0.11 N ATOM 1037 CA CYS A 72 23.341 -0.068 13.227 1.00 54.12 C ATOM 1038 C CYS A 72 24.156 -0.640 12.072 1.00 23.32 C ATOM 1039 O CYS A 72 23.747 -0.568 10.914 1.00 52.24 O ATOM 1040 CB CYS A 72 22.506 -1.174 13.875 1.00 4.43 C ATOM 1041 SG CYS A 72 23.149 -1.747 15.465 1.00 64.52 S ATOM 0 H CYS A 72 21.772 0.730 12.087 1.00 0.11 H new ATOM 0 HA CYS A 72 24.030 0.339 13.968 1.00 54.12 H new ATOM 0 HB2 CYS A 72 21.488 -0.811 14.016 1.00 4.43 H new ATOM 0 HB3 CYS A 72 22.450 -2.021 13.191 1.00 4.43 H new ATOM 0 HG CYS A 72 22.375 -2.680 15.935 1.00 64.52 H new ATOM 1047 N SER A 73 25.314 -1.208 12.396 1.00 34.04 N ATOM 1048 CA SER A 73 26.190 -1.788 11.386 1.00 62.13 C ATOM 1049 C SER A 73 26.576 -3.217 11.756 1.00 34.03 C ATOM 1050 O SER A 73 27.325 -3.444 12.706 1.00 1.22 O ATOM 1051 CB SER A 73 27.449 -0.935 11.221 1.00 2.45 C ATOM 1052 OG SER A 73 27.803 -0.308 12.442 1.00 3.02 O ATOM 0 H SER A 73 25.667 -1.278 13.351 1.00 34.04 H new ATOM 0 HA SER A 73 25.648 -1.810 10.441 1.00 62.13 H new ATOM 0 HB2 SER A 73 28.273 -1.560 10.877 1.00 2.45 H new ATOM 0 HB3 SER A 73 27.282 -0.178 10.455 1.00 2.45 H new ATOM 0 HG SER A 73 28.612 0.230 12.311 1.00 3.02 H new ATOM 1058 N VAL A 74 26.057 -4.178 10.999 1.00 70.52 N ATOM 1059 CA VAL A 74 26.346 -5.586 11.246 1.00 65.05 C ATOM 1060 C VAL A 74 26.318 -6.388 9.950 1.00 73.35 C ATOM 1061 O VAL A 74 25.632 -6.022 8.995 1.00 13.35 O ATOM 1062 CB VAL A 74 25.342 -6.200 12.239 1.00 42.11 C ATOM 1063 CG1 VAL A 74 25.780 -7.598 12.646 1.00 64.41 C ATOM 1064 CG2 VAL A 74 25.186 -5.305 13.459 1.00 33.01 C ATOM 0 H VAL A 74 25.434 -4.008 10.209 1.00 70.52 H new ATOM 0 HA VAL A 74 27.346 -5.633 11.677 1.00 65.05 H new ATOM 0 HB VAL A 74 24.372 -6.278 11.747 1.00 42.11 H new ATOM 0 HG11 VAL A 74 25.058 -8.016 13.348 1.00 64.41 H new ATOM 0 HG12 VAL A 74 25.836 -8.233 11.762 1.00 64.41 H new ATOM 0 HG13 VAL A 74 26.760 -7.549 13.120 1.00 64.41 H new ATOM 0 HG21 VAL A 74 24.473 -5.754 14.151 1.00 33.01 H new ATOM 0 HG22 VAL A 74 26.151 -5.193 13.954 1.00 33.01 H new ATOM 0 HG23 VAL A 74 24.822 -4.326 13.148 1.00 33.01 H new ATOM 1074 N SER A 75 27.067 -7.486 9.923 1.00 41.24 N ATOM 1075 CA SER A 75 27.130 -8.339 8.742 1.00 24.41 C ATOM 1076 C SER A 75 25.840 -9.137 8.579 1.00 63.32 C ATOM 1077 O SER A 75 25.549 -10.036 9.368 1.00 42.32 O ATOM 1078 CB SER A 75 28.324 -9.292 8.839 1.00 53.12 C ATOM 1079 OG SER A 75 28.136 -10.241 9.874 1.00 20.02 O ATOM 0 H SER A 75 27.638 -7.806 10.705 1.00 41.24 H new ATOM 0 HA SER A 75 27.254 -7.700 7.868 1.00 24.41 H new ATOM 0 HB2 SER A 75 28.460 -9.808 7.888 1.00 53.12 H new ATOM 0 HB3 SER A 75 29.234 -8.722 9.025 1.00 53.12 H new ATOM 0 HG SER A 75 27.178 -10.402 10.000 1.00 20.02 H new ATOM 1085 N ALA A 76 25.071 -8.802 7.549 1.00 53.44 N ATOM 1086 CA ALA A 76 23.813 -9.487 7.279 1.00 12.05 C ATOM 1087 C ALA A 76 24.048 -10.786 6.516 1.00 32.24 C ATOM 1088 O ALA A 76 24.759 -10.807 5.512 1.00 31.33 O ATOM 1089 CB ALA A 76 22.873 -8.578 6.501 1.00 34.34 C ATOM 0 H ALA A 76 25.297 -8.060 6.887 1.00 53.44 H new ATOM 0 HA ALA A 76 23.351 -9.736 8.234 1.00 12.05 H new ATOM 0 HB1 ALA A 76 21.938 -9.103 6.306 1.00 34.34 H new ATOM 0 HB2 ALA A 76 22.671 -7.679 7.084 1.00 34.34 H new ATOM 0 HB3 ALA A 76 23.337 -8.300 5.555 1.00 34.34 H new ATOM 1095 N ALA A 77 23.446 -11.868 7.000 1.00 62.10 N ATOM 1096 CA ALA A 77 23.589 -13.171 6.362 1.00 23.03 C ATOM 1097 C ALA A 77 22.384 -13.488 5.484 1.00 51.53 C ATOM 1098 O ALA A 77 21.237 -13.218 5.841 1.00 31.22 O ATOM 1099 CB ALA A 77 23.778 -14.255 7.413 1.00 21.02 C ATOM 0 H ALA A 77 22.855 -11.868 7.831 1.00 62.10 H new ATOM 0 HA ALA A 77 24.472 -13.140 5.724 1.00 23.03 H new ATOM 0 HB1 ALA A 77 23.883 -15.223 6.923 1.00 21.02 H new ATOM 0 HB2 ALA A 77 24.674 -14.044 7.996 1.00 21.02 H new ATOM 0 HB3 ALA A 77 22.912 -14.276 8.074 1.00 21.02 H new ATOM 1105 N PRO A 78 22.647 -14.072 4.306 1.00 74.44 N ATOM 1106 CA PRO A 78 21.596 -14.438 3.351 1.00 15.14 C ATOM 1107 C PRO A 78 20.740 -15.598 3.848 1.00 70.52 C ATOM 1108 O PRO A 78 21.151 -16.353 4.729 1.00 54.33 O ATOM 1109 CB PRO A 78 22.378 -14.847 2.101 1.00 21.11 C ATOM 1110 CG PRO A 78 23.709 -15.280 2.612 1.00 32.40 C ATOM 1111 CD PRO A 78 23.990 -14.422 3.814 1.00 20.45 C ATOM 0 HA PRO A 78 20.896 -13.620 3.183 1.00 15.14 H new ATOM 0 HB2 PRO A 78 21.877 -15.655 1.567 1.00 21.11 H new ATOM 0 HB3 PRO A 78 22.473 -14.015 1.404 1.00 21.11 H new ATOM 0 HG2 PRO A 78 23.699 -16.336 2.880 1.00 32.40 H new ATOM 0 HG3 PRO A 78 24.480 -15.151 1.852 1.00 32.40 H new ATOM 0 HD2 PRO A 78 24.566 -14.961 4.567 1.00 20.45 H new ATOM 0 HD3 PRO A 78 24.564 -13.535 3.549 1.00 20.45 H new ATOM 1119 N GLY A 79 19.547 -15.736 3.276 1.00 45.12 N ATOM 1120 CA GLY A 79 18.653 -16.807 3.673 1.00 22.53 C ATOM 1121 C GLY A 79 17.659 -16.371 4.731 1.00 4.24 C ATOM 1122 O GLY A 79 16.630 -17.017 4.933 1.00 45.22 O ATOM 0 H GLY A 79 19.184 -15.124 2.545 1.00 45.12 H new ATOM 0 HA2 GLY A 79 18.112 -17.168 2.798 1.00 22.53 H new ATOM 0 HA3 GLY A 79 19.240 -17.644 4.053 1.00 22.53 H new ATOM 1126 N THR A 80 17.967 -15.271 5.412 1.00 11.10 N ATOM 1127 CA THR A 80 17.095 -14.750 6.457 1.00 11.01 C ATOM 1128 C THR A 80 16.471 -13.423 6.042 1.00 50.33 C ATOM 1129 O THR A 80 17.177 -12.464 5.725 1.00 32.34 O ATOM 1130 CB THR A 80 17.859 -14.553 7.780 1.00 21.31 C ATOM 1131 OG1 THR A 80 18.581 -15.745 8.110 1.00 5.33 O ATOM 1132 CG2 THR A 80 16.903 -14.204 8.911 1.00 71.25 C ATOM 0 H THR A 80 18.814 -14.724 5.258 1.00 11.10 H new ATOM 0 HA THR A 80 16.307 -15.488 6.607 1.00 11.01 H new ATOM 0 HB THR A 80 18.559 -13.728 7.650 1.00 21.31 H new ATOM 0 HG1 THR A 80 19.066 -15.612 8.951 1.00 5.33 H new ATOM 0 HG21 THR A 80 17.466 -14.070 9.835 1.00 71.25 H new ATOM 0 HG22 THR A 80 16.376 -13.281 8.670 1.00 71.25 H new ATOM 0 HG23 THR A 80 16.182 -15.011 9.040 1.00 71.25 H new ATOM 1140 N THR A 81 15.142 -13.372 6.045 1.00 44.40 N ATOM 1141 CA THR A 81 14.423 -12.162 5.668 1.00 41.50 C ATOM 1142 C THR A 81 14.568 -11.081 6.734 1.00 71.32 C ATOM 1143 O THR A 81 14.461 -11.357 7.929 1.00 4.41 O ATOM 1144 CB THR A 81 12.926 -12.445 5.441 1.00 23.40 C ATOM 1145 OG1 THR A 81 12.767 -13.611 4.624 1.00 10.15 O ATOM 1146 CG2 THR A 81 12.245 -11.258 4.778 1.00 72.14 C ATOM 0 H THR A 81 14.542 -14.155 6.305 1.00 44.40 H new ATOM 0 HA THR A 81 14.864 -11.811 4.735 1.00 41.50 H new ATOM 0 HB THR A 81 12.459 -12.615 6.411 1.00 23.40 H new ATOM 0 HG1 THR A 81 11.813 -13.786 4.485 1.00 10.15 H new ATOM 0 HG21 THR A 81 11.189 -11.482 4.628 1.00 72.14 H new ATOM 0 HG22 THR A 81 12.343 -10.379 5.416 1.00 72.14 H new ATOM 0 HG23 THR A 81 12.715 -11.061 3.814 1.00 72.14 H new ATOM 1154 N TYR A 82 14.811 -9.852 6.294 1.00 55.42 N ATOM 1155 CA TYR A 82 14.972 -8.730 7.211 1.00 54.41 C ATOM 1156 C TYR A 82 13.721 -7.856 7.228 1.00 31.21 C ATOM 1157 O TYR A 82 13.091 -7.633 6.194 1.00 50.32 O ATOM 1158 CB TYR A 82 16.188 -7.891 6.815 1.00 53.41 C ATOM 1159 CG TYR A 82 17.509 -8.564 7.107 1.00 24.40 C ATOM 1160 CD1 TYR A 82 17.945 -8.745 8.414 1.00 21.40 C ATOM 1161 CD2 TYR A 82 18.323 -9.019 6.077 1.00 72.24 C ATOM 1162 CE1 TYR A 82 19.152 -9.360 8.686 1.00 42.20 C ATOM 1163 CE2 TYR A 82 19.531 -9.636 6.339 1.00 34.12 C ATOM 1164 CZ TYR A 82 19.941 -9.804 7.645 1.00 0.23 C ATOM 1165 OH TYR A 82 21.144 -10.417 7.911 1.00 42.51 O ATOM 0 H TYR A 82 14.901 -9.607 5.308 1.00 55.42 H new ATOM 0 HA TYR A 82 15.126 -9.132 8.212 1.00 54.41 H new ATOM 0 HB2 TYR A 82 16.132 -7.666 5.750 1.00 53.41 H new ATOM 0 HB3 TYR A 82 16.150 -6.939 7.344 1.00 53.41 H new ATOM 0 HD1 TYR A 82 17.330 -8.399 9.231 1.00 21.40 H new ATOM 0 HD2 TYR A 82 18.006 -8.888 5.053 1.00 72.24 H new ATOM 0 HE1 TYR A 82 19.476 -9.492 9.708 1.00 42.20 H new ATOM 0 HE2 TYR A 82 20.151 -9.985 5.526 1.00 34.12 H new ATOM 0 HH TYR A 82 20.981 -11.297 8.312 1.00 42.51 H new ATOM 1175 N HIS A 83 13.367 -7.364 8.411 1.00 1.21 N ATOM 1176 CA HIS A 83 12.192 -6.513 8.565 1.00 63.12 C ATOM 1177 C HIS A 83 12.600 -5.064 8.811 1.00 14.44 C ATOM 1178 O HIS A 83 13.732 -4.785 9.206 1.00 41.34 O ATOM 1179 CB HIS A 83 11.321 -7.014 9.718 1.00 45.54 C ATOM 1180 CG HIS A 83 10.201 -7.905 9.279 1.00 71.04 C ATOM 1181 ND1 HIS A 83 9.008 -7.425 8.782 1.00 55.21 N ATOM 1182 CD2 HIS A 83 10.098 -9.255 9.262 1.00 13.50 C ATOM 1183 CE1 HIS A 83 8.218 -8.440 8.480 1.00 21.25 C ATOM 1184 NE2 HIS A 83 8.856 -9.562 8.762 1.00 2.10 N ATOM 0 H HIS A 83 13.877 -7.540 9.277 1.00 1.21 H new ATOM 0 HA HIS A 83 11.617 -6.558 7.640 1.00 63.12 H new ATOM 0 HB2 HIS A 83 11.948 -7.555 10.427 1.00 45.54 H new ATOM 0 HB3 HIS A 83 10.906 -6.157 10.248 1.00 45.54 H new ATOM 0 HD2 HIS A 83 10.852 -9.959 9.582 1.00 13.50 H new ATOM 0 HE1 HIS A 83 7.221 -8.365 8.072 1.00 21.25 H new ATOM 0 HE2 HIS A 83 8.486 -10.503 8.630 1.00 2.10 H new ATOM 1192 N VAL A 84 11.669 -4.144 8.576 1.00 60.12 N ATOM 1193 CA VAL A 84 11.931 -2.723 8.773 1.00 70.45 C ATOM 1194 C VAL A 84 10.745 -2.033 9.437 1.00 43.20 C ATOM 1195 O VAL A 84 9.592 -2.295 9.098 1.00 33.21 O ATOM 1196 CB VAL A 84 12.239 -2.019 7.438 1.00 60.43 C ATOM 1197 CG1 VAL A 84 13.003 -0.726 7.680 1.00 73.34 C ATOM 1198 CG2 VAL A 84 13.019 -2.944 6.516 1.00 70.34 C ATOM 0 H VAL A 84 10.727 -4.358 8.249 1.00 60.12 H new ATOM 0 HA VAL A 84 12.802 -2.649 9.424 1.00 70.45 H new ATOM 0 HB VAL A 84 11.296 -1.770 6.952 1.00 60.43 H new ATOM 0 HG11 VAL A 84 13.212 -0.243 6.726 1.00 73.34 H new ATOM 0 HG12 VAL A 84 12.404 -0.060 8.301 1.00 73.34 H new ATOM 0 HG13 VAL A 84 13.942 -0.948 8.187 1.00 73.34 H new ATOM 0 HG21 VAL A 84 13.228 -2.431 5.577 1.00 70.34 H new ATOM 0 HG22 VAL A 84 13.958 -3.226 6.993 1.00 70.34 H new ATOM 0 HG23 VAL A 84 12.431 -3.840 6.316 1.00 70.34 H new ATOM 1208 N MET A 85 11.038 -1.148 10.385 1.00 71.42 N ATOM 1209 CA MET A 85 9.995 -0.418 11.096 1.00 21.12 C ATOM 1210 C MET A 85 10.432 1.016 11.380 1.00 62.53 C ATOM 1211 O MET A 85 11.464 1.246 12.011 1.00 41.11 O ATOM 1212 CB MET A 85 9.650 -1.127 12.407 1.00 32.12 C ATOM 1213 CG MET A 85 8.289 -0.743 12.966 1.00 61.35 C ATOM 1214 SD MET A 85 8.379 0.626 14.135 1.00 24.24 S ATOM 1215 CE MET A 85 6.948 1.584 13.646 1.00 15.12 C ATOM 0 H MET A 85 11.988 -0.920 10.678 1.00 71.42 H new ATOM 0 HA MET A 85 9.109 -0.390 10.462 1.00 21.12 H new ATOM 0 HB2 MET A 85 9.676 -2.205 12.246 1.00 32.12 H new ATOM 0 HB3 MET A 85 10.416 -0.897 13.148 1.00 32.12 H new ATOM 0 HG2 MET A 85 7.627 -0.471 12.144 1.00 61.35 H new ATOM 0 HG3 MET A 85 7.846 -1.608 13.459 1.00 61.35 H new ATOM 0 HE1 MET A 85 7.237 2.626 13.509 1.00 15.12 H new ATOM 0 HE2 MET A 85 6.550 1.192 12.710 1.00 15.12 H new ATOM 0 HE3 MET A 85 6.184 1.518 14.421 1.00 15.12 H new ATOM 1225 N ILE A 86 9.642 1.974 10.909 1.00 13.44 N ATOM 1226 CA ILE A 86 9.948 3.385 11.114 1.00 73.24 C ATOM 1227 C ILE A 86 8.856 4.072 11.926 1.00 12.13 C ATOM 1228 O ILE A 86 7.727 4.230 11.462 1.00 54.03 O ATOM 1229 CB ILE A 86 10.117 4.124 9.773 1.00 13.12 C ATOM 1230 CG1 ILE A 86 11.032 3.329 8.839 1.00 13.32 C ATOM 1231 CG2 ILE A 86 10.672 5.521 10.005 1.00 3.22 C ATOM 1232 CD1 ILE A 86 12.462 3.243 9.324 1.00 50.11 C ATOM 0 H ILE A 86 8.786 1.800 10.383 1.00 13.44 H new ATOM 0 HA ILE A 86 10.888 3.428 11.665 1.00 73.24 H new ATOM 0 HB ILE A 86 9.139 4.217 9.300 1.00 13.12 H new ATOM 0 HG12 ILE A 86 10.634 2.321 8.725 1.00 13.32 H new ATOM 0 HG13 ILE A 86 11.019 3.790 7.851 1.00 13.32 H new ATOM 0 HG21 ILE A 86 10.786 6.031 9.048 1.00 3.22 H new ATOM 0 HG22 ILE A 86 9.986 6.085 10.637 1.00 3.22 H new ATOM 0 HG23 ILE A 86 11.643 5.450 10.496 1.00 3.22 H new ATOM 0 HD11 ILE A 86 13.053 2.666 8.613 1.00 50.11 H new ATOM 0 HD12 ILE A 86 12.878 4.247 9.411 1.00 50.11 H new ATOM 0 HD13 ILE A 86 12.487 2.755 10.298 1.00 50.11 H new ATOM 1244 N LYS A 87 9.200 4.481 13.143 1.00 41.33 N ATOM 1245 CA LYS A 87 8.251 5.155 14.021 1.00 42.31 C ATOM 1246 C LYS A 87 8.534 6.653 14.081 1.00 65.11 C ATOM 1247 O LYS A 87 9.671 7.071 14.299 1.00 14.32 O ATOM 1248 CB LYS A 87 8.313 4.557 15.428 1.00 23.10 C ATOM 1249 CG LYS A 87 7.631 5.411 16.483 1.00 71.23 C ATOM 1250 CD LYS A 87 6.159 5.617 16.166 1.00 1.42 C ATOM 1251 CE LYS A 87 5.354 4.350 16.407 1.00 60.54 C ATOM 1252 NZ LYS A 87 5.528 3.837 17.794 1.00 72.32 N ATOM 0 H LYS A 87 10.130 4.357 13.544 1.00 41.33 H new ATOM 0 HA LYS A 87 7.251 5.008 13.614 1.00 42.31 H new ATOM 0 HB2 LYS A 87 7.849 3.571 15.415 1.00 23.10 H new ATOM 0 HB3 LYS A 87 9.357 4.414 15.707 1.00 23.10 H new ATOM 0 HG2 LYS A 87 7.731 4.935 17.458 1.00 71.23 H new ATOM 0 HG3 LYS A 87 8.129 6.378 16.548 1.00 71.23 H new ATOM 0 HD2 LYS A 87 5.763 6.424 16.782 1.00 1.42 H new ATOM 0 HD3 LYS A 87 6.050 5.927 15.127 1.00 1.42 H new ATOM 0 HE2 LYS A 87 4.298 4.550 16.224 1.00 60.54 H new ATOM 0 HE3 LYS A 87 5.661 3.584 15.695 1.00 60.54 H new ATOM 0 HZ1 LYS A 87 4.807 3.113 17.989 1.00 72.32 H new ATOM 0 HZ2 LYS A 87 6.475 3.418 17.893 1.00 72.32 H new ATOM 0 HZ3 LYS A 87 5.424 4.621 18.470 1.00 72.32 H new ATOM 1266 N GLY A 88 7.493 7.456 13.887 1.00 53.21 N ATOM 1267 CA GLY A 88 7.651 8.898 13.924 1.00 12.24 C ATOM 1268 C GLY A 88 7.279 9.487 15.271 1.00 43.43 C ATOM 1269 O GLY A 88 6.582 8.853 16.063 1.00 52.14 O ATOM 0 H GLY A 88 6.543 7.134 13.705 1.00 53.21 H new ATOM 0 HA2 GLY A 88 8.685 9.153 13.692 1.00 12.24 H new ATOM 0 HA3 GLY A 88 7.030 9.349 13.150 1.00 12.24 H new ATOM 1273 N TYR A 89 7.747 10.703 15.532 1.00 60.11 N ATOM 1274 CA TYR A 89 7.463 11.376 16.794 1.00 43.23 C ATOM 1275 C TYR A 89 6.683 12.666 16.560 1.00 51.04 C ATOM 1276 O TYR A 89 5.912 13.102 17.414 1.00 2.45 O ATOM 1277 CB TYR A 89 8.765 11.682 17.537 1.00 51.24 C ATOM 1278 CG TYR A 89 8.667 11.492 19.033 1.00 12.54 C ATOM 1279 CD1 TYR A 89 8.077 12.459 19.839 1.00 72.50 C ATOM 1280 CD2 TYR A 89 9.163 10.346 19.642 1.00 3.20 C ATOM 1281 CE1 TYR A 89 7.986 12.290 21.207 1.00 71.50 C ATOM 1282 CE2 TYR A 89 9.075 10.168 21.009 1.00 4.12 C ATOM 1283 CZ TYR A 89 8.486 11.143 21.787 1.00 23.33 C ATOM 1284 OH TYR A 89 8.396 10.970 23.150 1.00 63.05 O ATOM 0 H TYR A 89 8.324 11.242 14.887 1.00 60.11 H new ATOM 0 HA TYR A 89 6.853 10.709 17.403 1.00 43.23 H new ATOM 0 HB2 TYR A 89 9.555 11.039 17.149 1.00 51.24 H new ATOM 0 HB3 TYR A 89 9.060 12.710 17.328 1.00 51.24 H new ATOM 0 HD1 TYR A 89 7.683 13.358 19.388 1.00 72.50 H new ATOM 0 HD2 TYR A 89 9.625 9.581 19.036 1.00 3.20 H new ATOM 0 HE1 TYR A 89 7.526 13.052 21.819 1.00 71.50 H new ATOM 0 HE2 TYR A 89 9.465 9.271 21.466 1.00 4.12 H new ATOM 0 HH TYR A 89 8.794 10.109 23.398 1.00 63.05 H new ATOM 1294 N SER A 90 6.888 13.271 15.394 1.00 5.01 N ATOM 1295 CA SER A 90 6.207 14.513 15.047 1.00 64.23 C ATOM 1296 C SER A 90 6.355 14.815 13.559 1.00 51.43 C ATOM 1297 O SER A 90 7.451 14.741 13.005 1.00 51.41 O ATOM 1298 CB SER A 90 6.765 15.673 15.873 1.00 45.54 C ATOM 1299 OG SER A 90 7.632 16.482 15.096 1.00 61.24 O ATOM 0 H SER A 90 7.520 12.921 14.674 1.00 5.01 H new ATOM 0 HA SER A 90 5.147 14.393 15.272 1.00 64.23 H new ATOM 0 HB2 SER A 90 5.944 16.279 16.256 1.00 45.54 H new ATOM 0 HB3 SER A 90 7.303 15.283 16.737 1.00 45.54 H new ATOM 0 HG SER A 90 7.974 17.217 15.646 1.00 61.24 H new ATOM 1305 N ASN A 91 5.242 15.157 12.918 1.00 72.55 N ATOM 1306 CA ASN A 91 5.246 15.470 11.493 1.00 13.12 C ATOM 1307 C ASN A 91 6.600 16.024 11.062 1.00 63.12 C ATOM 1308 O ASN A 91 7.012 17.098 11.501 1.00 53.25 O ATOM 1309 CB ASN A 91 4.143 16.480 11.169 1.00 33.30 C ATOM 1310 CG ASN A 91 4.032 17.571 12.216 1.00 33.12 C ATOM 1311 OD1 ASN A 91 3.340 17.413 13.222 1.00 0.13 O ATOM 1312 ND2 ASN A 91 4.715 18.686 11.983 1.00 34.24 N ATOM 0 H ASN A 91 4.326 15.224 13.362 1.00 72.55 H new ATOM 0 HA ASN A 91 5.059 14.548 10.943 1.00 13.12 H new ATOM 0 HB2 ASN A 91 4.342 16.932 10.197 1.00 33.30 H new ATOM 0 HB3 ASN A 91 3.189 15.959 11.089 1.00 33.30 H new ATOM 0 HD21 ASN A 91 4.679 19.455 12.652 1.00 34.24 H new ATOM 0 HD22 ASN A 91 5.276 18.773 11.135 1.00 34.24 H new ATOM 1319 N TYR A 92 7.288 15.284 10.200 1.00 63.32 N ATOM 1320 CA TYR A 92 8.597 15.699 9.710 1.00 3.20 C ATOM 1321 C TYR A 92 9.126 14.717 8.669 1.00 4.32 C ATOM 1322 O TYR A 92 9.417 13.562 8.980 1.00 3.33 O ATOM 1323 CB TYR A 92 9.587 15.812 10.871 1.00 61.13 C ATOM 1324 CG TYR A 92 10.385 17.097 10.864 1.00 75.41 C ATOM 1325 CD1 TYR A 92 10.868 17.631 9.676 1.00 25.13 C ATOM 1326 CD2 TYR A 92 10.653 17.777 12.046 1.00 61.44 C ATOM 1327 CE1 TYR A 92 11.598 18.804 9.666 1.00 61.23 C ATOM 1328 CE2 TYR A 92 11.381 18.951 12.044 1.00 14.03 C ATOM 1329 CZ TYR A 92 11.851 19.460 10.852 1.00 3.31 C ATOM 1330 OH TYR A 92 12.576 20.630 10.846 1.00 65.35 O ATOM 0 H TYR A 92 6.961 14.393 9.826 1.00 63.32 H new ATOM 0 HA TYR A 92 8.487 16.676 9.238 1.00 3.20 H new ATOM 0 HB2 TYR A 92 9.041 15.738 11.811 1.00 61.13 H new ATOM 0 HB3 TYR A 92 10.275 14.967 10.835 1.00 61.13 H new ATOM 0 HD1 TYR A 92 10.670 17.121 8.745 1.00 25.13 H new ATOM 0 HD2 TYR A 92 10.286 17.381 12.981 1.00 61.44 H new ATOM 0 HE1 TYR A 92 11.968 19.205 8.734 1.00 61.23 H new ATOM 0 HE2 TYR A 92 11.581 19.467 12.971 1.00 14.03 H new ATOM 0 HH TYR A 92 12.664 20.965 11.763 1.00 65.35 H new ATOM 1340 N SER A 93 9.249 15.186 7.431 1.00 10.05 N ATOM 1341 CA SER A 93 9.740 14.350 6.342 1.00 20.25 C ATOM 1342 C SER A 93 10.987 14.960 5.709 1.00 72.41 C ATOM 1343 O SER A 93 11.215 16.165 5.797 1.00 40.33 O ATOM 1344 CB SER A 93 8.653 14.167 5.282 1.00 72.42 C ATOM 1345 OG SER A 93 8.078 15.410 4.921 1.00 51.44 O ATOM 0 H SER A 93 9.015 16.140 7.157 1.00 10.05 H new ATOM 0 HA SER A 93 10.003 13.376 6.754 1.00 20.25 H new ATOM 0 HB2 SER A 93 9.078 13.690 4.399 1.00 72.42 H new ATOM 0 HB3 SER A 93 7.878 13.501 5.662 1.00 72.42 H new ATOM 0 HG SER A 93 7.387 15.266 4.241 1.00 51.44 H new ATOM 1351 N GLY A 94 11.791 14.116 5.070 1.00 65.22 N ATOM 1352 CA GLY A 94 13.006 14.589 4.431 1.00 75.43 C ATOM 1353 C GLY A 94 14.232 13.815 4.872 1.00 41.02 C ATOM 1354 O GLY A 94 15.354 14.314 4.786 1.00 42.22 O ATOM 0 H GLY A 94 11.623 13.114 4.983 1.00 65.22 H new ATOM 0 HA2 GLY A 94 12.899 14.508 3.349 1.00 75.43 H new ATOM 0 HA3 GLY A 94 13.145 15.646 4.660 1.00 75.43 H new ATOM 1358 N VAL A 95 14.019 12.592 5.348 1.00 42.24 N ATOM 1359 CA VAL A 95 15.117 11.748 5.805 1.00 75.02 C ATOM 1360 C VAL A 95 15.308 10.549 4.883 1.00 45.01 C ATOM 1361 O VAL A 95 14.346 10.015 4.331 1.00 33.33 O ATOM 1362 CB VAL A 95 14.877 11.244 7.241 1.00 53.55 C ATOM 1363 CG1 VAL A 95 16.177 11.242 8.030 1.00 70.22 C ATOM 1364 CG2 VAL A 95 13.824 12.096 7.934 1.00 21.23 C ATOM 0 H VAL A 95 13.097 12.164 5.427 1.00 42.24 H new ATOM 0 HA VAL A 95 16.017 12.363 5.789 1.00 75.02 H new ATOM 0 HB VAL A 95 14.508 10.219 7.192 1.00 53.55 H new ATOM 0 HG11 VAL A 95 15.988 10.883 9.042 1.00 70.22 H new ATOM 0 HG12 VAL A 95 16.898 10.587 7.541 1.00 70.22 H new ATOM 0 HG13 VAL A 95 16.578 12.255 8.073 1.00 70.22 H new ATOM 0 HG21 VAL A 95 13.666 11.727 8.947 1.00 21.23 H new ATOM 0 HG22 VAL A 95 14.162 13.131 7.974 1.00 21.23 H new ATOM 0 HG23 VAL A 95 12.888 12.041 7.378 1.00 21.23 H new ATOM 1374 N THR A 96 16.559 10.129 4.720 1.00 43.14 N ATOM 1375 CA THR A 96 16.879 8.993 3.864 1.00 53.40 C ATOM 1376 C THR A 96 17.074 7.724 4.685 1.00 13.03 C ATOM 1377 O THR A 96 18.008 7.625 5.481 1.00 24.15 O ATOM 1378 CB THR A 96 18.150 9.255 3.034 1.00 30.15 C ATOM 1379 OG1 THR A 96 18.170 10.614 2.585 1.00 45.32 O ATOM 1380 CG2 THR A 96 18.217 8.318 1.838 1.00 43.45 C ATOM 0 H THR A 96 17.367 10.559 5.170 1.00 43.14 H new ATOM 0 HA THR A 96 16.034 8.859 3.188 1.00 53.40 H new ATOM 0 HB THR A 96 19.017 9.071 3.668 1.00 30.15 H new ATOM 0 HG1 THR A 96 18.386 11.204 3.337 1.00 45.32 H new ATOM 0 HG21 THR A 96 19.123 8.521 1.267 1.00 43.45 H new ATOM 0 HG22 THR A 96 18.231 7.285 2.185 1.00 43.45 H new ATOM 0 HG23 THR A 96 17.345 8.475 1.203 1.00 43.45 H new ATOM 1388 N LEU A 97 16.187 6.755 4.487 1.00 62.20 N ATOM 1389 CA LEU A 97 16.262 5.490 5.209 1.00 25.44 C ATOM 1390 C LEU A 97 16.789 4.378 4.307 1.00 3.14 C ATOM 1391 O LEU A 97 16.250 4.131 3.228 1.00 21.15 O ATOM 1392 CB LEU A 97 14.885 5.109 5.756 1.00 63.03 C ATOM 1393 CG LEU A 97 14.725 3.662 6.223 1.00 61.10 C ATOM 1394 CD1 LEU A 97 14.475 2.743 5.037 1.00 20.35 C ATOM 1395 CD2 LEU A 97 15.955 3.213 6.998 1.00 31.45 C ATOM 0 H LEU A 97 15.408 6.821 3.832 1.00 62.20 H new ATOM 0 HA LEU A 97 16.954 5.616 6.041 1.00 25.44 H new ATOM 0 HB2 LEU A 97 14.654 5.768 6.593 1.00 63.03 H new ATOM 0 HB3 LEU A 97 14.142 5.304 4.983 1.00 63.03 H new ATOM 0 HG LEU A 97 13.862 3.608 6.887 1.00 61.10 H new ATOM 0 HD11 LEU A 97 14.364 1.717 5.389 1.00 20.35 H new ATOM 0 HD12 LEU A 97 13.564 3.051 4.523 1.00 20.35 H new ATOM 0 HD13 LEU A 97 15.318 2.801 4.348 1.00 20.35 H new ATOM 0 HD21 LEU A 97 15.824 2.181 7.323 1.00 31.45 H new ATOM 0 HD22 LEU A 97 16.834 3.283 6.357 1.00 31.45 H new ATOM 0 HD23 LEU A 97 16.089 3.853 7.870 1.00 31.45 H new ATOM 1407 N LYS A 98 17.845 3.709 4.757 1.00 22.33 N ATOM 1408 CA LYS A 98 18.444 2.620 3.994 1.00 40.42 C ATOM 1409 C LYS A 98 18.706 1.410 4.885 1.00 54.22 C ATOM 1410 O LYS A 98 18.680 1.513 6.112 1.00 23.00 O ATOM 1411 CB LYS A 98 19.752 3.083 3.347 1.00 74.11 C ATOM 1412 CG LYS A 98 20.297 2.111 2.315 1.00 54.13 C ATOM 1413 CD LYS A 98 20.967 2.840 1.162 1.00 73.21 C ATOM 1414 CE LYS A 98 21.892 3.940 1.660 1.00 33.42 C ATOM 1415 NZ LYS A 98 23.140 4.023 0.853 1.00 60.35 N ATOM 0 H LYS A 98 18.304 3.902 5.647 1.00 22.33 H new ATOM 0 HA LYS A 98 17.742 2.328 3.213 1.00 40.42 H new ATOM 0 HB2 LYS A 98 19.590 4.051 2.872 1.00 74.11 H new ATOM 0 HB3 LYS A 98 20.500 3.231 4.126 1.00 74.11 H new ATOM 0 HG2 LYS A 98 21.014 1.440 2.788 1.00 54.13 H new ATOM 0 HG3 LYS A 98 19.486 1.492 1.933 1.00 54.13 H new ATOM 0 HD2 LYS A 98 21.535 2.129 0.562 1.00 73.21 H new ATOM 0 HD3 LYS A 98 20.206 3.270 0.511 1.00 73.21 H new ATOM 0 HE2 LYS A 98 21.371 4.897 1.623 1.00 33.42 H new ATOM 0 HE3 LYS A 98 22.146 3.756 2.704 1.00 33.42 H new ATOM 0 HZ1 LYS A 98 23.743 4.784 1.224 1.00 60.35 H new ATOM 0 HZ2 LYS A 98 23.650 3.119 0.909 1.00 60.35 H new ATOM 0 HZ3 LYS A 98 22.899 4.224 -0.139 1.00 60.35 H new ATOM 1429 N LEU A 99 18.958 0.265 4.260 1.00 1.24 N ATOM 1430 CA LEU A 99 19.226 -0.965 4.997 1.00 23.01 C ATOM 1431 C LEU A 99 20.719 -1.125 5.265 1.00 44.03 C ATOM 1432 O LEU A 99 21.547 -0.856 4.395 1.00 62.33 O ATOM 1433 CB LEU A 99 18.704 -2.173 4.218 1.00 32.41 C ATOM 1434 CG LEU A 99 19.594 -3.416 4.231 1.00 22.41 C ATOM 1435 CD1 LEU A 99 18.756 -4.675 4.075 1.00 74.41 C ATOM 1436 CD2 LEU A 99 20.643 -3.332 3.132 1.00 24.51 C ATOM 0 H LEU A 99 18.982 0.163 3.245 1.00 1.24 H new ATOM 0 HA LEU A 99 18.708 -0.906 5.954 1.00 23.01 H new ATOM 0 HB2 LEU A 99 17.728 -2.445 4.620 1.00 32.41 H new ATOM 0 HB3 LEU A 99 18.549 -1.872 3.182 1.00 32.41 H new ATOM 0 HG LEU A 99 20.106 -3.462 5.192 1.00 22.41 H new ATOM 0 HD11 LEU A 99 19.407 -5.549 4.087 1.00 74.41 H new ATOM 0 HD12 LEU A 99 18.044 -4.742 4.897 1.00 74.41 H new ATOM 0 HD13 LEU A 99 18.216 -4.638 3.129 1.00 74.41 H new ATOM 0 HD21 LEU A 99 21.268 -4.225 3.156 1.00 24.51 H new ATOM 0 HD22 LEU A 99 20.150 -3.260 2.163 1.00 24.51 H new ATOM 0 HD23 LEU A 99 21.264 -2.450 3.289 1.00 24.51 H new ATOM 1448 N GLN A 100 21.055 -1.566 6.473 1.00 51.12 N ATOM 1449 CA GLN A 100 22.448 -1.763 6.854 1.00 65.13 C ATOM 1450 C GLN A 100 22.845 -3.230 6.728 1.00 72.41 C ATOM 1451 O GLN A 100 22.355 -4.082 7.470 1.00 52.01 O ATOM 1452 CB GLN A 100 22.681 -1.281 8.287 1.00 53.14 C ATOM 1453 CG GLN A 100 21.633 -1.773 9.272 1.00 73.44 C ATOM 1454 CD GLN A 100 20.432 -0.852 9.356 1.00 50.34 C ATOM 1455 OE1 GLN A 100 20.543 0.294 9.794 1.00 64.51 O ATOM 1456 NE2 GLN A 100 19.274 -1.347 8.934 1.00 23.55 N ATOM 0 H GLN A 100 20.381 -1.794 7.204 1.00 51.12 H new ATOM 0 HA GLN A 100 23.069 -1.178 6.176 1.00 65.13 H new ATOM 0 HB2 GLN A 100 23.664 -1.615 8.618 1.00 53.14 H new ATOM 0 HB3 GLN A 100 22.694 -0.191 8.297 1.00 53.14 H new ATOM 0 HG2 GLN A 100 21.302 -2.769 8.977 1.00 73.44 H new ATOM 0 HG3 GLN A 100 22.084 -1.866 10.260 1.00 73.44 H new ATOM 0 HE21 GLN A 100 19.227 -2.302 8.579 1.00 23.55 H new ATOM 0 HE22 GLN A 100 18.432 -0.772 8.965 1.00 23.55 H new ATOM 1465 N TYR A 101 23.734 -3.519 5.784 1.00 10.12 N ATOM 1466 CA TYR A 101 24.194 -4.884 5.559 1.00 21.13 C ATOM 1467 C TYR A 101 25.683 -5.015 5.866 1.00 51.20 C ATOM 1468 O TYR A 101 26.121 -6.002 6.454 1.00 11.01 O ATOM 1469 CB TYR A 101 23.921 -5.305 4.114 1.00 32.23 C ATOM 1470 CG TYR A 101 24.707 -4.514 3.094 1.00 42.40 C ATOM 1471 CD1 TYR A 101 24.362 -3.204 2.785 1.00 52.11 C ATOM 1472 CD2 TYR A 101 25.797 -5.076 2.440 1.00 53.54 C ATOM 1473 CE1 TYR A 101 25.077 -2.477 1.853 1.00 60.53 C ATOM 1474 CE2 TYR A 101 26.519 -4.356 1.507 1.00 33.10 C ATOM 1475 CZ TYR A 101 26.155 -3.058 1.217 1.00 53.33 C ATOM 1476 OH TYR A 101 26.871 -2.337 0.289 1.00 54.14 O ATOM 0 H TYR A 101 24.150 -2.826 5.162 1.00 10.12 H new ATOM 0 HA TYR A 101 23.644 -5.541 6.232 1.00 21.13 H new ATOM 0 HB2 TYR A 101 24.158 -6.363 4.002 1.00 32.23 H new ATOM 0 HB3 TYR A 101 22.857 -5.193 3.907 1.00 32.23 H new ATOM 0 HD1 TYR A 101 23.520 -2.746 3.282 1.00 52.11 H new ATOM 0 HD2 TYR A 101 26.085 -6.092 2.665 1.00 53.54 H new ATOM 0 HE1 TYR A 101 24.794 -1.460 1.624 1.00 60.53 H new ATOM 0 HE2 TYR A 101 27.364 -4.808 1.008 1.00 33.10 H new ATOM 0 HH TYR A 101 27.598 -2.890 -0.065 1.00 54.14 H new