USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 774 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 43 THR OG1 : rot -57:sc= 1.53 USER MOD Set 1.2: A 47 THR OG1 : rot 33:sc= 0.573 USER MOD Single : A 5 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.98 K(o=-2,f=-3.7!) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.142 (180deg=-0.58) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.151 USER MOD Single : A 28 GLN : amide:sc= -3.7 K(o=-3.7,f=-7) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.548) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 42 ASN : amide:sc=-0.00327 X(o=-0.0033,f=-0.38) USER MOD Single : A 49 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.9!) USER MOD Single : A 51 GLN : amide:sc= -0.816 X(o=-0.82,f=-1) USER MOD Single : A 53 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.5) USER MOD Single : A 57 SER OG : rot -31:sc= 0.0458 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-1.3) USER MOD Single : A 62 MET CE :methyl -126:sc= -3.18 (180deg=-10.5!) USER MOD Single : A 63 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.83) USER MOD Single : A 68 THR OG1 : rot -143:sc= 0.577 USER MOD Single : A 71 SER OG : rot 180:sc= 0.143 USER MOD Single : A 73 LYS NZ :NH3+ -120:sc= -0.148 (180deg=-0.151) USER MOD Single : A 74 SER OG : rot 28:sc= -0.288 USER MOD Single : A 75 HIS : no HD1:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.0662 (180deg=-0.36) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 82 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.12) USER MOD Single : A 83 ASN : amide:sc= -0.0574 K(o=-0.057,f=1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.86) USER MOD Single : A 99 LYS NZ :NH3+ 131:sc= -0.255 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 5 9.899 2.110 -7.330 1.00 1.22 N ATOM 41 CA ASN A 5 9.756 0.724 -7.759 1.00 70.30 C ATOM 42 C ASN A 5 10.541 0.468 -9.042 1.00 31.30 C ATOM 43 O ASN A 5 10.037 -0.154 -9.978 1.00 64.31 O ATOM 44 CB ASN A 5 8.280 0.385 -7.975 1.00 33.42 C ATOM 45 CG ASN A 5 7.613 1.312 -8.973 1.00 24.31 C ATOM 46 OD1 ASN A 5 7.208 2.423 -8.631 1.00 24.35 O ATOM 47 ND2 ASN A 5 7.497 0.858 -10.215 1.00 73.44 N ATOM 0 HA ASN A 5 10.158 0.083 -6.974 1.00 70.30 H new ATOM 0 HB2 ASN A 5 8.194 -0.644 -8.325 1.00 33.42 H new ATOM 0 HB3 ASN A 5 7.754 0.442 -7.022 1.00 33.42 H new ATOM 0 HD21 ASN A 5 7.058 1.437 -10.931 1.00 73.44 H new ATOM 0 HD22 ASN A 5 7.847 -0.070 -10.454 1.00 73.44 H new ATOM 54 N THR A 6 11.779 0.951 -9.079 1.00 12.25 N ATOM 55 CA THR A 6 12.634 0.776 -10.246 1.00 33.23 C ATOM 56 C THR A 6 12.973 -0.694 -10.463 1.00 32.40 C ATOM 57 O THR A 6 13.854 -1.243 -9.801 1.00 24.33 O ATOM 58 CB THR A 6 13.942 1.578 -10.110 1.00 33.13 C ATOM 59 OG1 THR A 6 13.661 2.892 -9.615 1.00 24.14 O ATOM 60 CG2 THR A 6 14.658 1.677 -11.448 1.00 74.23 C ATOM 0 H THR A 6 12.212 1.467 -8.313 1.00 12.25 H new ATOM 0 HA THR A 6 12.076 1.148 -11.105 1.00 33.23 H new ATOM 0 HB THR A 6 14.591 1.056 -9.407 1.00 33.13 H new ATOM 0 HG1 THR A 6 14.498 3.395 -9.530 1.00 24.14 H new ATOM 0 HG21 THR A 6 15.579 2.248 -11.327 1.00 74.23 H new ATOM 0 HG22 THR A 6 14.896 0.676 -11.808 1.00 74.23 H new ATOM 0 HG23 THR A 6 14.013 2.178 -12.170 1.00 74.23 H new ATOM 68 N LEU A 7 12.269 -1.328 -11.395 1.00 14.45 N ATOM 69 CA LEU A 7 12.496 -2.736 -11.700 1.00 52.11 C ATOM 70 C LEU A 7 13.806 -2.924 -12.458 1.00 21.22 C ATOM 71 O LEU A 7 14.166 -2.109 -13.308 1.00 14.14 O ATOM 72 CB LEU A 7 11.333 -3.294 -12.523 1.00 0.42 C ATOM 73 CG LEU A 7 10.187 -3.919 -11.727 1.00 11.00 C ATOM 74 CD1 LEU A 7 10.690 -5.089 -10.897 1.00 30.55 C ATOM 75 CD2 LEU A 7 9.525 -2.877 -10.837 1.00 74.12 C ATOM 0 H LEU A 7 11.536 -0.889 -11.952 1.00 14.45 H new ATOM 0 HA LEU A 7 12.561 -3.281 -10.758 1.00 52.11 H new ATOM 0 HB2 LEU A 7 10.927 -2.488 -13.134 1.00 0.42 H new ATOM 0 HB3 LEU A 7 11.726 -4.046 -13.207 1.00 0.42 H new ATOM 0 HG LEU A 7 9.443 -4.292 -12.431 1.00 11.00 H new ATOM 0 HD11 LEU A 7 9.861 -5.521 -10.337 1.00 30.55 H new ATOM 0 HD12 LEU A 7 11.117 -5.846 -11.556 1.00 30.55 H new ATOM 0 HD13 LEU A 7 11.454 -4.740 -10.202 1.00 30.55 H new ATOM 0 HD21 LEU A 7 8.712 -3.340 -10.278 1.00 74.12 H new ATOM 0 HD22 LEU A 7 10.260 -2.473 -10.141 1.00 74.12 H new ATOM 0 HD23 LEU A 7 9.128 -2.071 -11.454 1.00 74.12 H new ATOM 87 N ILE A 8 14.514 -4.004 -12.146 1.00 21.45 N ATOM 88 CA ILE A 8 15.783 -4.301 -12.799 1.00 75.14 C ATOM 89 C ILE A 8 15.888 -5.782 -13.147 1.00 64.05 C ATOM 90 O ILE A 8 15.013 -6.576 -12.802 1.00 3.44 O ATOM 91 CB ILE A 8 16.979 -3.907 -11.913 1.00 54.10 C ATOM 92 CG1 ILE A 8 16.886 -4.604 -10.554 1.00 13.40 C ATOM 93 CG2 ILE A 8 17.033 -2.397 -11.737 1.00 53.45 C ATOM 94 CD1 ILE A 8 18.206 -4.675 -9.820 1.00 45.00 C ATOM 0 H ILE A 8 14.230 -4.688 -11.445 1.00 21.45 H new ATOM 0 HA ILE A 8 15.812 -3.711 -13.715 1.00 75.14 H new ATOM 0 HB ILE A 8 17.898 -4.229 -12.404 1.00 54.10 H new ATOM 0 HG12 ILE A 8 16.162 -4.076 -9.933 1.00 13.40 H new ATOM 0 HG13 ILE A 8 16.505 -5.615 -10.699 1.00 13.40 H new ATOM 0 HG21 ILE A 8 17.884 -2.134 -11.108 1.00 53.45 H new ATOM 0 HG22 ILE A 8 17.141 -1.921 -12.711 1.00 53.45 H new ATOM 0 HG23 ILE A 8 16.113 -2.053 -11.265 1.00 53.45 H new ATOM 0 HD11 ILE A 8 18.065 -5.182 -8.865 1.00 45.00 H new ATOM 0 HD12 ILE A 8 18.927 -5.229 -10.421 1.00 45.00 H new ATOM 0 HD13 ILE A 8 18.579 -3.666 -9.644 1.00 45.00 H new ATOM 106 N SER A 9 16.967 -6.148 -13.833 1.00 1.43 N ATOM 107 CA SER A 9 17.187 -7.533 -14.230 1.00 22.44 C ATOM 108 C SER A 9 18.676 -7.869 -14.229 1.00 15.13 C ATOM 109 O SER A 9 19.511 -7.038 -14.585 1.00 62.23 O ATOM 110 CB SER A 9 16.596 -7.789 -15.617 1.00 41.44 C ATOM 111 OG SER A 9 17.415 -7.231 -16.631 1.00 30.42 O ATOM 0 H SER A 9 17.702 -5.504 -14.125 1.00 1.43 H new ATOM 0 HA SER A 9 16.687 -8.176 -13.506 1.00 22.44 H new ATOM 0 HB2 SER A 9 16.491 -8.862 -15.779 1.00 41.44 H new ATOM 0 HB3 SER A 9 15.596 -7.359 -15.675 1.00 41.44 H new ATOM 0 HG SER A 9 17.017 -7.410 -17.508 1.00 30.42 H new ATOM 117 N VAL A 10 19.000 -9.093 -13.825 1.00 35.21 N ATOM 118 CA VAL A 10 20.386 -9.541 -13.778 1.00 3.31 C ATOM 119 C VAL A 10 20.471 -11.060 -13.683 1.00 54.02 C ATOM 120 O VAL A 10 19.577 -11.709 -13.139 1.00 1.23 O ATOM 121 CB VAL A 10 21.136 -8.921 -12.584 1.00 1.41 C ATOM 122 CG1 VAL A 10 20.581 -9.451 -11.271 1.00 21.02 C ATOM 123 CG2 VAL A 10 22.628 -9.196 -12.691 1.00 44.44 C ATOM 0 H VAL A 10 18.321 -9.792 -13.525 1.00 35.21 H new ATOM 0 HA VAL A 10 20.856 -9.211 -14.705 1.00 3.31 H new ATOM 0 HB VAL A 10 20.986 -7.842 -12.605 1.00 1.41 H new ATOM 0 HG11 VAL A 10 21.123 -9.002 -10.439 1.00 21.02 H new ATOM 0 HG12 VAL A 10 19.524 -9.197 -11.194 1.00 21.02 H new ATOM 0 HG13 VAL A 10 20.698 -10.534 -11.237 1.00 21.02 H new ATOM 0 HG21 VAL A 10 23.142 -8.751 -11.839 1.00 44.44 H new ATOM 0 HG22 VAL A 10 22.800 -10.272 -12.697 1.00 44.44 H new ATOM 0 HG23 VAL A 10 23.013 -8.762 -13.614 1.00 44.44 H new ATOM 133 N ASP A 11 21.550 -11.621 -14.216 1.00 62.32 N ATOM 134 CA ASP A 11 21.753 -13.065 -14.191 1.00 32.33 C ATOM 135 C ASP A 11 22.948 -13.431 -13.316 1.00 11.11 C ATOM 136 O ASP A 11 23.674 -12.557 -12.842 1.00 13.42 O ATOM 137 CB ASP A 11 21.961 -13.598 -15.609 1.00 45.42 C ATOM 138 CG ASP A 11 23.283 -13.154 -16.206 1.00 31.15 C ATOM 139 OD1 ASP A 11 24.325 -13.736 -15.838 1.00 2.43 O ATOM 140 OD2 ASP A 11 23.275 -12.226 -17.041 1.00 14.03 O ATOM 0 H ASP A 11 22.298 -11.098 -14.671 1.00 62.32 H new ATOM 0 HA ASP A 11 20.860 -13.525 -13.767 1.00 32.33 H new ATOM 0 HB2 ASP A 11 21.920 -14.687 -15.594 1.00 45.42 H new ATOM 0 HB3 ASP A 11 21.145 -13.257 -16.246 1.00 45.42 H new ATOM 145 N TYR A 12 23.146 -14.727 -13.105 1.00 74.54 N ATOM 146 CA TYR A 12 24.250 -15.209 -12.285 1.00 5.23 C ATOM 147 C TYR A 12 24.869 -16.466 -12.887 1.00 64.25 C ATOM 148 O TYR A 12 24.306 -17.073 -13.797 1.00 74.13 O ATOM 149 CB TYR A 12 23.769 -15.496 -10.862 1.00 12.15 C ATOM 150 CG TYR A 12 22.584 -16.433 -10.801 1.00 31.02 C ATOM 151 CD1 TYR A 12 21.286 -15.952 -10.925 1.00 61.21 C ATOM 152 CD2 TYR A 12 22.762 -17.799 -10.618 1.00 54.22 C ATOM 153 CE1 TYR A 12 20.200 -16.805 -10.870 1.00 2.55 C ATOM 154 CE2 TYR A 12 21.682 -18.659 -10.563 1.00 11.40 C ATOM 155 CZ TYR A 12 20.403 -18.157 -10.689 1.00 3.21 C ATOM 156 OH TYR A 12 19.325 -19.010 -10.633 1.00 10.21 O ATOM 0 H TYR A 12 22.555 -15.463 -13.491 1.00 74.54 H new ATOM 0 HA TYR A 12 25.012 -14.430 -12.254 1.00 5.23 H new ATOM 0 HB2 TYR A 12 24.591 -15.925 -10.289 1.00 12.15 H new ATOM 0 HB3 TYR A 12 23.503 -14.555 -10.381 1.00 12.15 H new ATOM 0 HD1 TYR A 12 21.123 -14.894 -11.067 1.00 61.21 H new ATOM 0 HD2 TYR A 12 23.762 -18.195 -10.517 1.00 54.22 H new ATOM 0 HE1 TYR A 12 19.198 -16.415 -10.968 1.00 2.55 H new ATOM 0 HE2 TYR A 12 21.838 -19.718 -10.422 1.00 11.40 H new ATOM 0 HH TYR A 12 19.641 -19.928 -10.503 1.00 10.21 H new ATOM 166 N GLU A 13 26.033 -16.851 -12.372 1.00 11.30 N ATOM 167 CA GLU A 13 26.729 -18.036 -12.859 1.00 42.32 C ATOM 168 C GLU A 13 27.757 -18.520 -11.840 1.00 73.33 C ATOM 169 O GLU A 13 28.393 -17.719 -11.156 1.00 3.31 O ATOM 170 CB GLU A 13 27.418 -17.737 -14.192 1.00 62.54 C ATOM 171 CG GLU A 13 28.056 -18.958 -14.835 1.00 34.24 C ATOM 172 CD GLU A 13 29.006 -18.596 -15.959 1.00 61.43 C ATOM 173 OE1 GLU A 13 29.959 -17.830 -15.708 1.00 3.01 O ATOM 174 OE2 GLU A 13 28.796 -19.081 -17.091 1.00 44.53 O ATOM 0 H GLU A 13 26.513 -16.360 -11.618 1.00 11.30 H new ATOM 0 HA GLU A 13 25.991 -18.825 -13.008 1.00 42.32 H new ATOM 0 HB2 GLU A 13 26.688 -17.313 -14.882 1.00 62.54 H new ATOM 0 HB3 GLU A 13 28.184 -16.978 -14.033 1.00 62.54 H new ATOM 0 HG2 GLU A 13 28.596 -19.523 -14.076 1.00 34.24 H new ATOM 0 HG3 GLU A 13 27.274 -19.611 -15.222 1.00 34.24 H new ATOM 181 N ILE A 14 27.912 -19.837 -11.746 1.00 12.53 N ATOM 182 CA ILE A 14 28.862 -20.428 -10.811 1.00 74.05 C ATOM 183 C ILE A 14 29.763 -21.440 -11.511 1.00 34.23 C ATOM 184 O ILE A 14 29.296 -22.261 -12.301 1.00 21.44 O ATOM 185 CB ILE A 14 28.141 -21.122 -9.640 1.00 44.22 C ATOM 186 CG1 ILE A 14 27.008 -20.238 -9.115 1.00 31.53 C ATOM 187 CG2 ILE A 14 29.128 -21.444 -8.528 1.00 21.20 C ATOM 188 CD1 ILE A 14 27.469 -18.872 -8.659 1.00 12.32 C ATOM 0 H ILE A 14 27.393 -20.514 -12.305 1.00 12.53 H new ATOM 0 HA ILE A 14 29.470 -19.613 -10.420 1.00 74.05 H new ATOM 0 HB ILE A 14 27.710 -22.057 -9.999 1.00 44.22 H new ATOM 0 HG12 ILE A 14 26.260 -20.117 -9.898 1.00 31.53 H new ATOM 0 HG13 ILE A 14 26.519 -20.744 -8.283 1.00 31.53 H new ATOM 0 HG21 ILE A 14 28.604 -21.934 -7.707 1.00 21.20 H new ATOM 0 HG22 ILE A 14 29.904 -22.107 -8.911 1.00 21.20 H new ATOM 0 HG23 ILE A 14 29.584 -20.522 -8.168 1.00 21.20 H new ATOM 0 HD11 ILE A 14 26.613 -18.300 -8.300 1.00 12.32 H new ATOM 0 HD12 ILE A 14 28.195 -18.983 -7.854 1.00 12.32 H new ATOM 0 HD13 ILE A 14 27.931 -18.346 -9.494 1.00 12.32 H new ATOM 200 N PHE A 15 31.056 -21.377 -11.214 1.00 4.23 N ATOM 201 CA PHE A 15 32.024 -22.289 -11.813 1.00 51.51 C ATOM 202 C PHE A 15 32.365 -23.426 -10.855 1.00 70.22 C ATOM 203 O PHE A 15 33.328 -24.162 -11.066 1.00 30.21 O ATOM 204 CB PHE A 15 33.297 -21.533 -12.199 1.00 41.13 C ATOM 205 CG PHE A 15 33.936 -22.040 -13.460 1.00 60.34 C ATOM 206 CD1 PHE A 15 33.585 -21.512 -14.692 1.00 14.30 C ATOM 207 CD2 PHE A 15 34.888 -23.046 -13.414 1.00 73.32 C ATOM 208 CE1 PHE A 15 34.171 -21.976 -15.854 1.00 71.14 C ATOM 209 CE2 PHE A 15 35.478 -23.514 -14.573 1.00 73.31 C ATOM 210 CZ PHE A 15 35.118 -22.979 -15.795 1.00 20.52 C ATOM 0 H PHE A 15 31.459 -20.704 -10.562 1.00 4.23 H new ATOM 0 HA PHE A 15 31.577 -22.716 -12.711 1.00 51.51 H new ATOM 0 HB2 PHE A 15 33.060 -20.476 -12.321 1.00 41.13 H new ATOM 0 HB3 PHE A 15 34.015 -21.606 -11.382 1.00 41.13 H new ATOM 0 HD1 PHE A 15 32.844 -20.728 -14.745 1.00 14.30 H new ATOM 0 HD2 PHE A 15 35.172 -23.469 -12.462 1.00 73.32 H new ATOM 0 HE1 PHE A 15 33.889 -21.555 -16.807 1.00 71.14 H new ATOM 0 HE2 PHE A 15 36.220 -24.297 -14.523 1.00 73.31 H new ATOM 0 HZ PHE A 15 35.576 -23.345 -16.702 1.00 20.52 H new ATOM 220 N GLY A 16 31.567 -23.563 -9.800 1.00 61.23 N ATOM 221 CA GLY A 16 31.801 -24.612 -8.825 1.00 35.11 C ATOM 222 C GLY A 16 31.216 -25.943 -9.254 1.00 63.30 C ATOM 223 O GLY A 16 31.281 -26.309 -10.428 1.00 33.11 O ATOM 0 H GLY A 16 30.763 -22.967 -9.603 1.00 61.23 H new ATOM 0 HA2 GLY A 16 32.874 -24.724 -8.667 1.00 35.11 H new ATOM 0 HA3 GLY A 16 31.367 -24.319 -7.869 1.00 35.11 H new ATOM 227 N LYS A 17 30.645 -26.672 -8.301 1.00 3.22 N ATOM 228 CA LYS A 17 30.047 -27.971 -8.585 1.00 1.13 C ATOM 229 C LYS A 17 28.553 -27.834 -8.858 1.00 13.25 C ATOM 230 O LYS A 17 27.804 -28.808 -8.775 1.00 4.10 O ATOM 231 CB LYS A 17 30.277 -28.928 -7.413 1.00 72.20 C ATOM 232 CG LYS A 17 30.117 -30.392 -7.784 1.00 34.45 C ATOM 233 CD LYS A 17 31.440 -31.009 -8.205 1.00 52.25 C ATOM 234 CE LYS A 17 31.468 -32.506 -7.936 1.00 44.45 C ATOM 235 NZ LYS A 17 32.614 -33.170 -8.618 1.00 10.23 N ATOM 0 H LYS A 17 30.584 -26.385 -7.324 1.00 3.22 H new ATOM 0 HA LYS A 17 30.525 -28.377 -9.477 1.00 1.13 H new ATOM 0 HB2 LYS A 17 31.280 -28.770 -7.017 1.00 72.20 H new ATOM 0 HB3 LYS A 17 29.577 -28.686 -6.614 1.00 72.20 H new ATOM 0 HG2 LYS A 17 29.713 -30.941 -6.934 1.00 34.45 H new ATOM 0 HG3 LYS A 17 29.396 -30.486 -8.596 1.00 34.45 H new ATOM 0 HD2 LYS A 17 31.607 -30.826 -9.267 1.00 52.25 H new ATOM 0 HD3 LYS A 17 32.255 -30.526 -7.666 1.00 52.25 H new ATOM 0 HE2 LYS A 17 31.533 -32.681 -6.862 1.00 44.45 H new ATOM 0 HE3 LYS A 17 30.534 -32.954 -8.276 1.00 44.45 H new ATOM 0 HZ1 LYS A 17 32.598 -34.189 -8.410 1.00 10.23 H new ATOM 0 HZ2 LYS A 17 32.538 -33.025 -9.645 1.00 10.23 H new ATOM 0 HZ3 LYS A 17 33.506 -32.761 -8.275 1.00 10.23 H new ATOM 249 N VAL A 18 28.124 -26.619 -9.184 1.00 43.44 N ATOM 250 CA VAL A 18 26.720 -26.355 -9.472 1.00 55.11 C ATOM 251 C VAL A 18 26.238 -27.180 -10.660 1.00 54.21 C ATOM 252 O VAL A 18 25.052 -27.490 -10.772 1.00 21.21 O ATOM 253 CB VAL A 18 26.477 -24.862 -9.765 1.00 63.45 C ATOM 254 CG1 VAL A 18 26.831 -24.015 -8.553 1.00 21.34 C ATOM 255 CG2 VAL A 18 27.275 -24.423 -10.984 1.00 20.00 C ATOM 0 H VAL A 18 28.730 -25.801 -9.255 1.00 43.44 H new ATOM 0 HA VAL A 18 26.156 -26.639 -8.583 1.00 55.11 H new ATOM 0 HB VAL A 18 25.418 -24.719 -9.981 1.00 63.45 H new ATOM 0 HG11 VAL A 18 26.653 -22.964 -8.779 1.00 21.34 H new ATOM 0 HG12 VAL A 18 26.212 -24.314 -7.707 1.00 21.34 H new ATOM 0 HG13 VAL A 18 27.882 -24.159 -8.303 1.00 21.34 H new ATOM 0 HG21 VAL A 18 27.092 -23.366 -11.177 1.00 20.00 H new ATOM 0 HG22 VAL A 18 28.338 -24.579 -10.799 1.00 20.00 H new ATOM 0 HG23 VAL A 18 26.968 -25.009 -11.850 1.00 20.00 H new ATOM 265 N GLN A 19 27.165 -27.532 -11.544 1.00 44.24 N ATOM 266 CA GLN A 19 26.834 -28.321 -12.725 1.00 25.22 C ATOM 267 C GLN A 19 26.896 -29.814 -12.416 1.00 52.55 C ATOM 268 O GLN A 19 27.674 -30.251 -11.570 1.00 32.30 O ATOM 269 CB GLN A 19 27.789 -27.986 -13.872 1.00 54.24 C ATOM 270 CG GLN A 19 29.240 -28.326 -13.576 1.00 3.43 C ATOM 271 CD GLN A 19 30.026 -28.670 -14.825 1.00 43.04 C ATOM 272 OE1 GLN A 19 29.476 -29.196 -15.793 1.00 43.04 O ATOM 273 NE2 GLN A 19 31.321 -28.374 -14.811 1.00 72.32 N ATOM 0 H GLN A 19 28.151 -27.284 -11.465 1.00 44.24 H new ATOM 0 HA GLN A 19 25.816 -28.072 -13.025 1.00 25.22 H new ATOM 0 HB2 GLN A 19 27.473 -28.525 -14.765 1.00 54.24 H new ATOM 0 HB3 GLN A 19 27.713 -26.922 -14.098 1.00 54.24 H new ATOM 0 HG2 GLN A 19 29.712 -27.481 -13.076 1.00 3.43 H new ATOM 0 HG3 GLN A 19 29.278 -29.168 -12.884 1.00 3.43 H new ATOM 0 HE21 GLN A 19 31.736 -27.938 -13.987 1.00 72.32 H new ATOM 0 HE22 GLN A 19 31.901 -28.582 -15.624 1.00 72.32 H new ATOM 282 N GLY A 20 26.069 -30.591 -13.110 1.00 11.34 N ATOM 283 CA GLY A 20 26.045 -32.026 -12.895 1.00 12.31 C ATOM 284 C GLY A 20 25.077 -32.432 -11.801 1.00 61.12 C ATOM 285 O GLY A 20 24.768 -33.613 -11.643 1.00 22.32 O ATOM 0 H GLY A 20 25.416 -30.252 -13.817 1.00 11.34 H new ATOM 0 HA2 GLY A 20 25.769 -32.525 -13.824 1.00 12.31 H new ATOM 0 HA3 GLY A 20 27.047 -32.368 -12.635 1.00 12.31 H new ATOM 289 N VAL A 21 24.598 -31.451 -11.043 1.00 31.43 N ATOM 290 CA VAL A 21 23.660 -31.713 -9.957 1.00 40.24 C ATOM 291 C VAL A 21 22.255 -31.244 -10.320 1.00 4.11 C ATOM 292 O VAL A 21 22.013 -30.777 -11.433 1.00 3.51 O ATOM 293 CB VAL A 21 24.101 -31.019 -8.655 1.00 50.31 C ATOM 294 CG1 VAL A 21 25.423 -31.590 -8.166 1.00 62.24 C ATOM 295 CG2 VAL A 21 24.204 -29.515 -8.862 1.00 25.21 C ATOM 0 H VAL A 21 24.844 -30.468 -11.161 1.00 31.43 H new ATOM 0 HA VAL A 21 23.651 -32.792 -9.799 1.00 40.24 H new ATOM 0 HB VAL A 21 23.347 -31.207 -7.890 1.00 50.31 H new ATOM 0 HG11 VAL A 21 25.718 -31.087 -7.245 1.00 62.24 H new ATOM 0 HG12 VAL A 21 25.310 -32.657 -7.976 1.00 62.24 H new ATOM 0 HG13 VAL A 21 26.189 -31.435 -8.926 1.00 62.24 H new ATOM 0 HG21 VAL A 21 24.517 -29.040 -7.932 1.00 25.21 H new ATOM 0 HG22 VAL A 21 24.937 -29.304 -9.641 1.00 25.21 H new ATOM 0 HG23 VAL A 21 23.233 -29.122 -9.161 1.00 25.21 H new ATOM 305 N PHE A 22 21.332 -31.371 -9.373 1.00 22.33 N ATOM 306 CA PHE A 22 19.950 -30.961 -9.592 1.00 42.20 C ATOM 307 C PHE A 22 19.487 -30.003 -8.498 1.00 43.34 C ATOM 308 O PHE A 22 18.528 -30.281 -7.779 1.00 30.24 O ATOM 309 CB PHE A 22 19.033 -32.185 -9.635 1.00 40.21 C ATOM 310 CG PHE A 22 19.311 -33.181 -8.546 1.00 1.11 C ATOM 311 CD1 PHE A 22 20.287 -34.151 -8.708 1.00 42.35 C ATOM 312 CD2 PHE A 22 18.596 -33.148 -7.360 1.00 0.35 C ATOM 313 CE1 PHE A 22 20.546 -35.069 -7.708 1.00 11.31 C ATOM 314 CE2 PHE A 22 18.851 -34.063 -6.355 1.00 54.34 C ATOM 315 CZ PHE A 22 19.826 -35.025 -6.530 1.00 72.13 C ATOM 0 H PHE A 22 21.516 -31.755 -8.446 1.00 22.33 H new ATOM 0 HA PHE A 22 19.899 -30.443 -10.550 1.00 42.20 H new ATOM 0 HB2 PHE A 22 17.997 -31.855 -9.559 1.00 40.21 H new ATOM 0 HB3 PHE A 22 19.141 -32.676 -10.602 1.00 40.21 H new ATOM 0 HD1 PHE A 22 20.852 -34.190 -9.627 1.00 42.35 H new ATOM 0 HD2 PHE A 22 17.831 -32.399 -7.219 1.00 0.35 H new ATOM 0 HE1 PHE A 22 21.310 -35.820 -7.847 1.00 11.31 H new ATOM 0 HE2 PHE A 22 18.288 -34.025 -5.434 1.00 54.34 H new ATOM 0 HZ PHE A 22 20.025 -35.742 -5.747 1.00 72.13 H new ATOM 325 N PHE A 23 20.177 -28.873 -8.379 1.00 55.24 N ATOM 326 CA PHE A 23 19.838 -27.873 -7.373 1.00 22.21 C ATOM 327 C PHE A 23 18.784 -26.904 -7.901 1.00 64.44 C ATOM 328 O PHE A 23 18.103 -26.230 -7.129 1.00 72.21 O ATOM 329 CB PHE A 23 21.090 -27.102 -6.949 1.00 14.31 C ATOM 330 CG PHE A 23 21.559 -26.110 -7.975 1.00 31.12 C ATOM 331 CD1 PHE A 23 22.280 -26.527 -9.082 1.00 20.42 C ATOM 332 CD2 PHE A 23 21.279 -24.761 -7.832 1.00 2.43 C ATOM 333 CE1 PHE A 23 22.713 -25.618 -10.028 1.00 0.50 C ATOM 334 CE2 PHE A 23 21.709 -23.846 -8.775 1.00 22.33 C ATOM 335 CZ PHE A 23 22.428 -24.275 -9.874 1.00 20.05 C ATOM 0 H PHE A 23 20.974 -28.627 -8.966 1.00 55.24 H new ATOM 0 HA PHE A 23 19.427 -28.391 -6.506 1.00 22.21 H new ATOM 0 HB2 PHE A 23 20.886 -26.578 -6.015 1.00 14.31 H new ATOM 0 HB3 PHE A 23 21.893 -27.811 -6.747 1.00 14.31 H new ATOM 0 HD1 PHE A 23 22.506 -27.576 -9.207 1.00 20.42 H new ATOM 0 HD2 PHE A 23 20.718 -24.420 -6.974 1.00 2.43 H new ATOM 0 HE1 PHE A 23 23.274 -25.957 -10.887 1.00 0.50 H new ATOM 0 HE2 PHE A 23 21.483 -22.797 -8.653 1.00 22.33 H new ATOM 0 HZ PHE A 23 22.767 -23.562 -10.611 1.00 20.05 H new ATOM 345 N ARG A 24 18.658 -26.841 -9.223 1.00 14.42 N ATOM 346 CA ARG A 24 17.689 -25.953 -9.855 1.00 71.54 C ATOM 347 C ARG A 24 16.297 -26.158 -9.265 1.00 21.55 C ATOM 348 O ARG A 24 15.488 -25.232 -9.216 1.00 42.54 O ATOM 349 CB ARG A 24 17.654 -26.195 -11.366 1.00 22.34 C ATOM 350 CG ARG A 24 17.301 -27.624 -11.746 1.00 11.14 C ATOM 351 CD ARG A 24 17.356 -27.830 -13.251 1.00 44.23 C ATOM 352 NE ARG A 24 16.516 -28.943 -13.683 1.00 33.21 N ATOM 353 CZ ARG A 24 16.806 -30.218 -13.447 1.00 43.22 C ATOM 354 NH1 ARG A 24 17.910 -30.538 -12.787 1.00 25.40 N ATOM 355 NH2 ARG A 24 15.991 -31.175 -13.872 1.00 2.10 N ATOM 0 H ARG A 24 19.214 -27.393 -9.876 1.00 14.42 H new ATOM 0 HA ARG A 24 17.998 -24.925 -9.664 1.00 71.54 H new ATOM 0 HB2 ARG A 24 16.928 -25.518 -11.817 1.00 22.34 H new ATOM 0 HB3 ARG A 24 18.628 -25.946 -11.788 1.00 22.34 H new ATOM 0 HG2 ARG A 24 17.991 -28.312 -11.258 1.00 11.14 H new ATOM 0 HG3 ARG A 24 16.302 -27.862 -11.381 1.00 11.14 H new ATOM 0 HD2 ARG A 24 17.035 -26.918 -13.754 1.00 44.23 H new ATOM 0 HD3 ARG A 24 18.387 -28.015 -13.554 1.00 44.23 H new ATOM 0 HE ARG A 24 15.659 -28.730 -14.194 1.00 33.21 H new ATOM 0 HH11 ARG A 24 18.539 -29.805 -12.459 1.00 25.40 H new ATOM 0 HH12 ARG A 24 18.131 -31.517 -12.607 1.00 25.40 H new ATOM 0 HH21 ARG A 24 15.141 -30.932 -14.381 1.00 2.10 H new ATOM 0 HH22 ARG A 24 16.215 -32.153 -13.690 1.00 2.10 H new ATOM 369 N LYS A 25 16.024 -27.379 -8.816 1.00 63.11 N ATOM 370 CA LYS A 25 14.731 -27.707 -8.227 1.00 64.35 C ATOM 371 C LYS A 25 14.367 -26.716 -7.127 1.00 41.10 C ATOM 372 O LYS A 25 13.261 -26.174 -7.107 1.00 23.22 O ATOM 373 CB LYS A 25 14.752 -29.129 -7.661 1.00 73.05 C ATOM 374 CG LYS A 25 13.368 -29.712 -7.431 1.00 1.44 C ATOM 375 CD LYS A 25 13.420 -30.929 -6.522 1.00 50.34 C ATOM 376 CE LYS A 25 14.135 -32.093 -7.191 1.00 74.11 C ATOM 377 NZ LYS A 25 13.520 -32.442 -8.502 1.00 33.33 N ATOM 0 H LYS A 25 16.682 -28.158 -8.849 1.00 63.11 H new ATOM 0 HA LYS A 25 13.976 -27.645 -9.011 1.00 64.35 H new ATOM 0 HB2 LYS A 25 15.300 -29.776 -8.346 1.00 73.05 H new ATOM 0 HB3 LYS A 25 15.298 -29.128 -6.718 1.00 73.05 H new ATOM 0 HG2 LYS A 25 12.722 -28.954 -6.989 1.00 1.44 H new ATOM 0 HG3 LYS A 25 12.926 -29.990 -8.388 1.00 1.44 H new ATOM 0 HD2 LYS A 25 13.932 -30.671 -5.595 1.00 50.34 H new ATOM 0 HD3 LYS A 25 12.407 -31.228 -6.254 1.00 50.34 H new ATOM 0 HE2 LYS A 25 15.184 -31.838 -7.339 1.00 74.11 H new ATOM 0 HE3 LYS A 25 14.107 -32.962 -6.534 1.00 74.11 H new ATOM 0 HZ1 LYS A 25 13.803 -33.405 -8.773 1.00 33.33 H new ATOM 0 HZ2 LYS A 25 12.484 -32.395 -8.423 1.00 33.33 H new ATOM 0 HZ3 LYS A 25 13.843 -31.769 -9.227 1.00 33.33 H new ATOM 391 N HIS A 26 15.304 -26.482 -6.214 1.00 2.42 N ATOM 392 CA HIS A 26 15.082 -25.553 -5.111 1.00 71.01 C ATOM 393 C HIS A 26 15.073 -24.111 -5.609 1.00 1.22 C ATOM 394 O HIS A 26 14.387 -23.254 -5.050 1.00 43.23 O ATOM 395 CB HIS A 26 16.161 -25.730 -4.043 1.00 0.55 C ATOM 396 CG HIS A 26 15.776 -25.175 -2.705 1.00 62.44 C ATOM 397 ND1 HIS A 26 16.201 -23.945 -2.250 1.00 55.22 N ATOM 398 CD2 HIS A 26 15.000 -25.691 -1.724 1.00 11.34 C ATOM 399 CE1 HIS A 26 15.703 -23.728 -1.046 1.00 23.04 C ATOM 400 NE2 HIS A 26 14.971 -24.772 -0.703 1.00 74.32 N ATOM 0 H HIS A 26 16.224 -26.922 -6.216 1.00 2.42 H new ATOM 0 HA HIS A 26 14.109 -25.773 -4.673 1.00 71.01 H new ATOM 0 HB2 HIS A 26 16.384 -26.792 -3.936 1.00 0.55 H new ATOM 0 HB3 HIS A 26 17.077 -25.244 -4.379 1.00 0.55 H new ATOM 0 HD2 HIS A 26 14.497 -26.647 -1.740 1.00 11.34 H new ATOM 0 HE1 HIS A 26 15.867 -22.846 -0.444 1.00 23.04 H new ATOM 0 HE2 HIS A 26 14.466 -24.879 0.177 1.00 74.32 H new ATOM 408 N THR A 27 15.840 -23.849 -6.663 1.00 1.44 N ATOM 409 CA THR A 27 15.922 -22.510 -7.234 1.00 62.52 C ATOM 410 C THR A 27 14.546 -22.005 -7.650 1.00 53.05 C ATOM 411 O THR A 27 14.230 -20.828 -7.481 1.00 43.43 O ATOM 412 CB THR A 27 16.860 -22.478 -8.456 1.00 74.10 C ATOM 413 OG1 THR A 27 18.131 -23.041 -8.113 1.00 73.44 O ATOM 414 CG2 THR A 27 17.049 -21.054 -8.955 1.00 55.45 C ATOM 0 H THR A 27 16.413 -24.546 -7.138 1.00 1.44 H new ATOM 0 HA THR A 27 16.325 -21.859 -6.458 1.00 62.52 H new ATOM 0 HB THR A 27 16.405 -23.068 -9.251 1.00 74.10 H new ATOM 0 HG1 THR A 27 18.806 -22.742 -8.757 1.00 73.44 H new ATOM 0 HG21 THR A 27 17.715 -21.056 -9.818 1.00 55.45 H new ATOM 0 HG22 THR A 27 16.083 -20.638 -9.243 1.00 55.45 H new ATOM 0 HG23 THR A 27 17.484 -20.445 -8.162 1.00 55.45 H new ATOM 422 N GLN A 28 13.730 -22.903 -8.195 1.00 4.35 N ATOM 423 CA GLN A 28 12.387 -22.546 -8.635 1.00 11.12 C ATOM 424 C GLN A 28 11.596 -21.900 -7.502 1.00 5.41 C ATOM 425 O GLN A 28 11.137 -20.764 -7.622 1.00 32.33 O ATOM 426 CB GLN A 28 11.649 -23.785 -9.145 1.00 51.33 C ATOM 427 CG GLN A 28 10.184 -23.532 -9.464 1.00 20.24 C ATOM 428 CD GLN A 28 9.278 -23.777 -8.273 1.00 53.52 C ATOM 429 OE1 GLN A 28 8.853 -22.838 -7.598 1.00 65.13 O ATOM 430 NE2 GLN A 28 8.975 -25.042 -8.009 1.00 63.31 N ATOM 0 H GLN A 28 13.976 -23.882 -8.342 1.00 4.35 H new ATOM 0 HA GLN A 28 12.478 -21.825 -9.447 1.00 11.12 H new ATOM 0 HB2 GLN A 28 12.149 -24.152 -10.041 1.00 51.33 H new ATOM 0 HB3 GLN A 28 11.718 -24.573 -8.395 1.00 51.33 H new ATOM 0 HG2 GLN A 28 10.062 -22.503 -9.803 1.00 20.24 H new ATOM 0 HG3 GLN A 28 9.878 -24.178 -10.287 1.00 20.24 H new ATOM 0 HE21 GLN A 28 9.349 -25.789 -8.594 1.00 63.31 H new ATOM 0 HE22 GLN A 28 8.368 -25.267 -7.221 1.00 63.31 H new ATOM 439 N ALA A 29 11.442 -22.630 -6.403 1.00 20.43 N ATOM 440 CA ALA A 29 10.709 -22.128 -5.248 1.00 14.42 C ATOM 441 C ALA A 29 11.411 -20.921 -4.635 1.00 14.34 C ATOM 442 O ALA A 29 10.778 -20.085 -3.990 1.00 30.44 O ATOM 443 CB ALA A 29 10.541 -23.227 -4.209 1.00 40.04 C ATOM 0 H ALA A 29 11.816 -23.572 -6.288 1.00 20.43 H new ATOM 0 HA ALA A 29 9.723 -21.810 -5.586 1.00 14.42 H new ATOM 0 HB1 ALA A 29 9.992 -22.837 -3.352 1.00 40.04 H new ATOM 0 HB2 ALA A 29 9.989 -24.059 -4.646 1.00 40.04 H new ATOM 0 HB3 ALA A 29 11.522 -23.573 -3.884 1.00 40.04 H new ATOM 449 N GLU A 30 12.721 -20.837 -4.840 1.00 4.21 N ATOM 450 CA GLU A 30 13.509 -19.732 -4.305 1.00 55.01 C ATOM 451 C GLU A 30 13.256 -18.451 -5.095 1.00 71.34 C ATOM 452 O GLU A 30 13.258 -17.354 -4.538 1.00 63.44 O ATOM 453 CB GLU A 30 14.999 -20.077 -4.335 1.00 31.12 C ATOM 454 CG GLU A 30 15.821 -19.314 -3.310 1.00 31.14 C ATOM 455 CD GLU A 30 15.639 -19.848 -1.902 1.00 14.51 C ATOM 456 OE1 GLU A 30 14.501 -19.795 -1.389 1.00 43.43 O ATOM 457 OE2 GLU A 30 16.634 -20.318 -1.313 1.00 64.30 O ATOM 0 H GLU A 30 13.260 -21.520 -5.372 1.00 4.21 H new ATOM 0 HA GLU A 30 13.203 -19.568 -3.272 1.00 55.01 H new ATOM 0 HB2 GLU A 30 15.119 -21.146 -4.162 1.00 31.12 H new ATOM 0 HB3 GLU A 30 15.391 -19.869 -5.330 1.00 31.12 H new ATOM 0 HG2 GLU A 30 16.875 -19.368 -3.582 1.00 31.14 H new ATOM 0 HG3 GLU A 30 15.539 -18.261 -3.335 1.00 31.14 H new ATOM 464 N GLY A 31 13.039 -18.600 -6.399 1.00 34.12 N ATOM 465 CA GLY A 31 12.788 -17.448 -7.245 1.00 63.34 C ATOM 466 C GLY A 31 11.678 -16.566 -6.710 1.00 41.23 C ATOM 467 O GLY A 31 11.727 -15.343 -6.844 1.00 4.11 O ATOM 0 H GLY A 31 13.033 -19.497 -6.884 1.00 34.12 H new ATOM 0 HA2 GLY A 31 13.702 -16.861 -7.335 1.00 63.34 H new ATOM 0 HA3 GLY A 31 12.527 -17.787 -8.247 1.00 63.34 H new ATOM 471 N LYS A 32 10.672 -17.186 -6.104 1.00 32.23 N ATOM 472 CA LYS A 32 9.543 -16.450 -5.546 1.00 62.24 C ATOM 473 C LYS A 32 9.753 -16.176 -4.061 1.00 33.15 C ATOM 474 O LYS A 32 9.207 -15.218 -3.512 1.00 60.32 O ATOM 475 CB LYS A 32 8.245 -17.233 -5.753 1.00 71.53 C ATOM 476 CG LYS A 32 6.992 -16.416 -5.489 1.00 5.15 C ATOM 477 CD LYS A 32 5.842 -17.293 -5.025 1.00 14.01 C ATOM 478 CE LYS A 32 5.882 -17.516 -3.521 1.00 31.51 C ATOM 479 NZ LYS A 32 5.671 -16.250 -2.766 1.00 60.22 N ATOM 0 H LYS A 32 10.615 -18.198 -5.986 1.00 32.23 H new ATOM 0 HA LYS A 32 9.471 -15.495 -6.067 1.00 62.24 H new ATOM 0 HB2 LYS A 32 8.216 -17.607 -6.776 1.00 71.53 H new ATOM 0 HB3 LYS A 32 8.247 -18.103 -5.096 1.00 71.53 H new ATOM 0 HG2 LYS A 32 7.202 -15.660 -4.733 1.00 5.15 H new ATOM 0 HG3 LYS A 32 6.704 -15.887 -6.397 1.00 5.15 H new ATOM 0 HD2 LYS A 32 4.895 -16.828 -5.300 1.00 14.01 H new ATOM 0 HD3 LYS A 32 5.886 -18.254 -5.538 1.00 14.01 H new ATOM 0 HE2 LYS A 32 5.115 -18.238 -3.241 1.00 31.51 H new ATOM 0 HE3 LYS A 32 6.843 -17.948 -3.244 1.00 31.51 H new ATOM 0 HZ1 LYS A 32 5.289 -16.467 -1.823 1.00 60.22 H new ATOM 0 HZ2 LYS A 32 6.578 -15.751 -2.665 1.00 60.22 H new ATOM 0 HZ3 LYS A 32 4.999 -15.646 -3.281 1.00 60.22 H new ATOM 493 N LYS A 33 10.547 -17.022 -3.414 1.00 24.01 N ATOM 494 CA LYS A 33 10.832 -16.870 -1.992 1.00 20.21 C ATOM 495 C LYS A 33 11.777 -15.698 -1.748 1.00 41.13 C ATOM 496 O LYS A 33 11.780 -15.104 -0.669 1.00 45.23 O ATOM 497 CB LYS A 33 11.444 -18.157 -1.433 1.00 13.21 C ATOM 498 CG LYS A 33 11.489 -18.199 0.085 1.00 64.23 C ATOM 499 CD LYS A 33 11.697 -19.615 0.597 1.00 41.40 C ATOM 500 CE LYS A 33 10.443 -20.459 0.426 1.00 3.33 C ATOM 501 NZ LYS A 33 10.335 -21.510 1.476 1.00 42.33 N ATOM 0 H LYS A 33 11.005 -17.821 -3.852 1.00 24.01 H new ATOM 0 HA LYS A 33 9.892 -16.669 -1.479 1.00 20.21 H new ATOM 0 HB2 LYS A 33 10.870 -19.010 -1.795 1.00 13.21 H new ATOM 0 HB3 LYS A 33 12.457 -18.267 -1.821 1.00 13.21 H new ATOM 0 HG2 LYS A 33 12.295 -17.559 0.444 1.00 64.23 H new ATOM 0 HG3 LYS A 33 10.559 -17.798 0.489 1.00 64.23 H new ATOM 0 HD2 LYS A 33 12.525 -20.079 0.061 1.00 41.40 H new ATOM 0 HD3 LYS A 33 11.976 -19.585 1.650 1.00 41.40 H new ATOM 0 HE2 LYS A 33 9.564 -19.816 0.464 1.00 3.33 H new ATOM 0 HE3 LYS A 33 10.452 -20.928 -0.558 1.00 3.33 H new ATOM 0 HZ1 LYS A 33 9.468 -22.064 1.325 1.00 42.33 H new ATOM 0 HZ2 LYS A 33 11.161 -22.139 1.423 1.00 42.33 H new ATOM 0 HZ3 LYS A 33 10.301 -21.062 2.414 1.00 42.33 H new ATOM 515 N LEU A 34 12.576 -15.369 -2.757 1.00 44.01 N ATOM 516 CA LEU A 34 13.525 -14.266 -2.653 1.00 3.10 C ATOM 517 C LEU A 34 13.093 -13.091 -3.524 1.00 74.25 C ATOM 518 O LEU A 34 12.914 -11.976 -3.037 1.00 34.02 O ATOM 519 CB LEU A 34 14.924 -14.730 -3.061 1.00 64.44 C ATOM 520 CG LEU A 34 15.809 -15.266 -1.935 1.00 70.52 C ATOM 521 CD1 LEU A 34 16.025 -14.200 -0.872 1.00 73.34 C ATOM 522 CD2 LEU A 34 15.194 -16.516 -1.322 1.00 74.15 C ATOM 0 H LEU A 34 12.586 -15.850 -3.656 1.00 44.01 H new ATOM 0 HA LEU A 34 13.547 -13.936 -1.614 1.00 3.10 H new ATOM 0 HB2 LEU A 34 14.821 -15.509 -3.817 1.00 64.44 H new ATOM 0 HB3 LEU A 34 15.439 -13.894 -3.534 1.00 64.44 H new ATOM 0 HG LEU A 34 16.779 -15.531 -2.356 1.00 70.52 H new ATOM 0 HD11 LEU A 34 16.657 -14.600 -0.079 1.00 73.34 H new ATOM 0 HD12 LEU A 34 16.510 -13.333 -1.320 1.00 73.34 H new ATOM 0 HD13 LEU A 34 15.063 -13.903 -0.454 1.00 73.34 H new ATOM 0 HD21 LEU A 34 15.837 -16.883 -0.523 1.00 74.15 H new ATOM 0 HD22 LEU A 34 14.211 -16.276 -0.916 1.00 74.15 H new ATOM 0 HD23 LEU A 34 15.092 -17.285 -2.088 1.00 74.15 H new ATOM 534 N GLY A 35 12.924 -13.351 -4.818 1.00 10.33 N ATOM 535 CA GLY A 35 12.511 -12.306 -5.736 1.00 43.33 C ATOM 536 C GLY A 35 11.071 -12.462 -6.184 1.00 25.35 C ATOM 537 O GLY A 35 10.145 -12.307 -5.386 1.00 64.52 O ATOM 0 H GLY A 35 13.066 -14.266 -5.246 1.00 10.33 H new ATOM 0 HA2 GLY A 35 12.636 -11.335 -5.256 1.00 43.33 H new ATOM 0 HA3 GLY A 35 13.163 -12.316 -6.610 1.00 43.33 H new ATOM 541 N LEU A 36 10.881 -12.768 -7.462 1.00 71.50 N ATOM 542 CA LEU A 36 9.543 -12.945 -8.015 1.00 54.53 C ATOM 543 C LEU A 36 9.470 -14.203 -8.875 1.00 12.34 C ATOM 544 O LEU A 36 8.791 -15.168 -8.524 1.00 54.14 O ATOM 545 CB LEU A 36 9.148 -11.722 -8.846 1.00 71.31 C ATOM 546 CG LEU A 36 8.441 -10.597 -8.090 1.00 42.41 C ATOM 547 CD1 LEU A 36 7.149 -11.101 -7.467 1.00 21.31 C ATOM 548 CD2 LEU A 36 9.357 -10.013 -7.024 1.00 42.13 C ATOM 0 H LEU A 36 11.636 -12.899 -8.135 1.00 71.50 H new ATOM 0 HA LEU A 36 8.845 -13.054 -7.185 1.00 54.53 H new ATOM 0 HB2 LEU A 36 10.048 -11.314 -9.306 1.00 71.31 H new ATOM 0 HB3 LEU A 36 8.498 -12.053 -9.656 1.00 71.31 H new ATOM 0 HG LEU A 36 8.194 -9.808 -8.800 1.00 42.41 H new ATOM 0 HD11 LEU A 36 6.660 -10.286 -6.933 1.00 21.31 H new ATOM 0 HD12 LEU A 36 6.487 -11.470 -8.250 1.00 21.31 H new ATOM 0 HD13 LEU A 36 7.372 -11.909 -6.770 1.00 21.31 H new ATOM 0 HD21 LEU A 36 8.837 -9.214 -6.496 1.00 42.13 H new ATOM 0 HD22 LEU A 36 9.636 -10.794 -6.316 1.00 42.13 H new ATOM 0 HD23 LEU A 36 10.255 -9.613 -7.495 1.00 42.13 H new ATOM 560 N VAL A 37 10.176 -14.186 -10.001 1.00 0.14 N ATOM 561 CA VAL A 37 10.194 -15.326 -10.909 1.00 24.43 C ATOM 562 C VAL A 37 11.587 -15.545 -11.489 1.00 2.42 C ATOM 563 O VAL A 37 12.531 -14.832 -11.150 1.00 50.20 O ATOM 564 CB VAL A 37 9.193 -15.141 -12.064 1.00 15.53 C ATOM 565 CG1 VAL A 37 7.763 -15.212 -11.548 1.00 24.12 C ATOM 566 CG2 VAL A 37 9.444 -13.822 -12.780 1.00 22.23 C ATOM 0 H VAL A 37 10.743 -13.395 -10.306 1.00 0.14 H new ATOM 0 HA VAL A 37 9.905 -16.199 -10.325 1.00 24.43 H new ATOM 0 HB VAL A 37 9.337 -15.951 -12.780 1.00 15.53 H new ATOM 0 HG11 VAL A 37 7.070 -15.079 -12.378 1.00 24.12 H new ATOM 0 HG12 VAL A 37 7.591 -16.183 -11.084 1.00 24.12 H new ATOM 0 HG13 VAL A 37 7.602 -14.425 -10.812 1.00 24.12 H new ATOM 0 HG21 VAL A 37 8.728 -13.708 -13.593 1.00 22.23 H new ATOM 0 HG22 VAL A 37 9.328 -12.998 -12.076 1.00 22.23 H new ATOM 0 HG23 VAL A 37 10.456 -13.814 -13.184 1.00 22.23 H new ATOM 576 N GLY A 38 11.708 -16.536 -12.367 1.00 3.12 N ATOM 577 CA GLY A 38 12.990 -16.831 -12.981 1.00 13.50 C ATOM 578 C GLY A 38 13.081 -18.261 -13.474 1.00 51.14 C ATOM 579 O GLY A 38 12.221 -19.087 -13.167 1.00 3.55 O ATOM 0 H GLY A 38 10.941 -17.140 -12.664 1.00 3.12 H new ATOM 0 HA2 GLY A 38 13.154 -16.151 -13.817 1.00 13.50 H new ATOM 0 HA3 GLY A 38 13.786 -16.647 -12.259 1.00 13.50 H new ATOM 583 N TRP A 39 14.123 -18.554 -14.243 1.00 25.21 N ATOM 584 CA TRP A 39 14.322 -19.895 -14.782 1.00 24.05 C ATOM 585 C TRP A 39 15.745 -20.380 -14.524 1.00 12.34 C ATOM 586 O TRP A 39 16.609 -19.607 -14.111 1.00 3.51 O ATOM 587 CB TRP A 39 14.029 -19.913 -16.283 1.00 13.45 C ATOM 588 CG TRP A 39 15.074 -19.216 -17.101 1.00 30.55 C ATOM 589 CD1 TRP A 39 16.250 -19.746 -17.550 1.00 10.21 C ATOM 590 CD2 TRP A 39 15.038 -17.862 -17.564 1.00 71.54 C ATOM 591 NE1 TRP A 39 16.947 -18.802 -18.265 1.00 62.32 N ATOM 592 CE2 TRP A 39 16.225 -17.639 -18.290 1.00 13.25 C ATOM 593 CE3 TRP A 39 14.118 -16.818 -17.440 1.00 30.03 C ATOM 594 CZ2 TRP A 39 16.513 -16.414 -18.885 1.00 3.33 C ATOM 595 CZ3 TRP A 39 14.406 -15.603 -18.031 1.00 0.42 C ATOM 596 CH2 TRP A 39 15.595 -15.409 -18.747 1.00 11.44 C ATOM 0 H TRP A 39 14.843 -17.882 -14.508 1.00 25.21 H new ATOM 0 HA TRP A 39 13.631 -20.569 -14.276 1.00 24.05 H new ATOM 0 HB2 TRP A 39 13.946 -20.947 -16.617 1.00 13.45 H new ATOM 0 HB3 TRP A 39 13.063 -19.442 -16.463 1.00 13.45 H new ATOM 0 HD1 TRP A 39 16.583 -20.757 -17.370 1.00 10.21 H new ATOM 0 HE1 TRP A 39 17.856 -18.945 -18.706 1.00 62.32 H new ATOM 0 HE3 TRP A 39 13.198 -16.958 -16.892 1.00 30.03 H new ATOM 0 HZ2 TRP A 39 17.429 -16.262 -19.436 1.00 3.33 H new ATOM 0 HZ3 TRP A 39 13.703 -14.789 -17.940 1.00 0.42 H new ATOM 0 HH2 TRP A 39 15.790 -14.448 -19.199 1.00 11.44 H new ATOM 607 N VAL A 40 15.981 -21.664 -14.770 1.00 25.55 N ATOM 608 CA VAL A 40 17.300 -22.252 -14.565 1.00 2.30 C ATOM 609 C VAL A 40 17.713 -23.106 -15.759 1.00 13.34 C ATOM 610 O VAL A 40 16.926 -23.907 -16.262 1.00 32.14 O ATOM 611 CB VAL A 40 17.338 -23.117 -13.291 1.00 51.12 C ATOM 612 CG1 VAL A 40 18.760 -23.564 -12.991 1.00 64.22 C ATOM 613 CG2 VAL A 40 16.750 -22.355 -12.113 1.00 31.41 C ATOM 0 H VAL A 40 15.276 -22.318 -15.112 1.00 25.55 H new ATOM 0 HA VAL A 40 18.001 -21.425 -14.454 1.00 2.30 H new ATOM 0 HB VAL A 40 16.731 -24.007 -13.458 1.00 51.12 H new ATOM 0 HG11 VAL A 40 18.767 -24.174 -12.088 1.00 64.22 H new ATOM 0 HG12 VAL A 40 19.141 -24.150 -13.827 1.00 64.22 H new ATOM 0 HG13 VAL A 40 19.393 -22.689 -12.843 1.00 64.22 H new ATOM 0 HG21 VAL A 40 16.785 -22.981 -11.221 1.00 31.41 H new ATOM 0 HG22 VAL A 40 17.328 -21.447 -11.942 1.00 31.41 H new ATOM 0 HG23 VAL A 40 15.715 -22.091 -12.331 1.00 31.41 H new ATOM 623 N GLN A 41 18.952 -22.928 -16.206 1.00 75.32 N ATOM 624 CA GLN A 41 19.468 -23.683 -17.342 1.00 24.24 C ATOM 625 C GLN A 41 20.859 -24.233 -17.042 1.00 41.11 C ATOM 626 O GLN A 41 21.419 -23.983 -15.976 1.00 4.22 O ATOM 627 CB GLN A 41 19.514 -22.800 -18.590 1.00 20.22 C ATOM 628 CG GLN A 41 18.198 -22.752 -19.349 1.00 40.22 C ATOM 629 CD GLN A 41 18.303 -21.979 -20.649 1.00 75.34 C ATOM 630 OE1 GLN A 41 17.821 -20.851 -20.755 1.00 72.11 O ATOM 631 NE2 GLN A 41 18.935 -22.584 -21.648 1.00 75.15 N ATOM 0 H GLN A 41 19.616 -22.269 -15.800 1.00 75.32 H new ATOM 0 HA GLN A 41 18.796 -24.522 -17.524 1.00 24.24 H new ATOM 0 HB2 GLN A 41 19.793 -21.787 -18.299 1.00 20.22 H new ATOM 0 HB3 GLN A 41 20.295 -23.167 -19.256 1.00 20.22 H new ATOM 0 HG2 GLN A 41 17.868 -23.769 -19.561 1.00 40.22 H new ATOM 0 HG3 GLN A 41 17.436 -22.294 -18.719 1.00 40.22 H new ATOM 0 HE21 GLN A 41 19.319 -23.520 -21.516 1.00 75.15 H new ATOM 0 HE22 GLN A 41 19.036 -22.113 -22.547 1.00 75.15 H new ATOM 640 N ASN A 42 21.410 -24.983 -17.990 1.00 63.45 N ATOM 641 CA ASN A 42 22.736 -25.570 -17.827 1.00 53.44 C ATOM 642 C ASN A 42 23.564 -25.403 -19.098 1.00 3.35 C ATOM 643 O ASN A 42 23.041 -25.485 -20.209 1.00 63.54 O ATOM 644 CB ASN A 42 22.620 -27.053 -17.472 1.00 32.20 C ATOM 645 CG ASN A 42 23.959 -27.669 -17.116 1.00 2.34 C ATOM 646 OD1 ASN A 42 24.697 -27.139 -16.284 1.00 72.03 O ATOM 647 ND2 ASN A 42 24.280 -28.793 -17.745 1.00 74.21 N ATOM 0 H ASN A 42 20.960 -25.199 -18.879 1.00 63.45 H new ATOM 0 HA ASN A 42 23.240 -25.047 -17.014 1.00 53.44 H new ATOM 0 HB2 ASN A 42 21.935 -27.170 -16.633 1.00 32.20 H new ATOM 0 HB3 ASN A 42 22.187 -27.593 -18.314 1.00 32.20 H new ATOM 0 HD21 ASN A 42 25.169 -29.253 -17.546 1.00 74.21 H new ATOM 0 HD22 ASN A 42 23.638 -29.197 -18.427 1.00 74.21 H new ATOM 654 N THR A 43 24.861 -25.168 -18.925 1.00 4.41 N ATOM 655 CA THR A 43 25.763 -24.988 -20.056 1.00 31.50 C ATOM 656 C THR A 43 26.703 -26.179 -20.204 1.00 31.43 C ATOM 657 O THR A 43 26.941 -26.917 -19.247 1.00 50.11 O ATOM 658 CB THR A 43 26.600 -23.704 -19.909 1.00 53.45 C ATOM 659 OG1 THR A 43 27.369 -23.755 -18.703 1.00 64.01 O ATOM 660 CG2 THR A 43 25.705 -22.474 -19.894 1.00 15.32 C ATOM 0 H THR A 43 25.310 -25.098 -18.012 1.00 4.41 H new ATOM 0 HA THR A 43 25.140 -24.907 -20.947 1.00 31.50 H new ATOM 0 HB THR A 43 27.272 -23.635 -20.764 1.00 53.45 H new ATOM 0 HG1 THR A 43 26.770 -23.888 -17.939 1.00 64.01 H new ATOM 0 HG21 THR A 43 26.318 -21.579 -19.789 1.00 15.32 H new ATOM 0 HG22 THR A 43 25.143 -22.422 -20.826 1.00 15.32 H new ATOM 0 HG23 THR A 43 25.012 -22.539 -19.055 1.00 15.32 H new ATOM 668 N ASP A 44 27.235 -26.361 -21.407 1.00 71.33 N ATOM 669 CA ASP A 44 28.151 -27.463 -21.680 1.00 3.53 C ATOM 670 C ASP A 44 29.554 -27.140 -21.173 1.00 73.43 C ATOM 671 O ASP A 44 30.314 -28.038 -20.808 1.00 52.44 O ATOM 672 CB ASP A 44 28.193 -27.760 -23.179 1.00 70.34 C ATOM 673 CG ASP A 44 28.920 -29.053 -23.493 1.00 31.31 C ATOM 674 OD1 ASP A 44 28.401 -30.130 -23.129 1.00 55.54 O ATOM 675 OD2 ASP A 44 30.008 -28.989 -24.102 1.00 74.15 O ATOM 0 H ASP A 44 27.048 -25.760 -22.209 1.00 71.33 H new ATOM 0 HA ASP A 44 27.787 -28.345 -21.153 1.00 3.53 H new ATOM 0 HB2 ASP A 44 27.175 -27.816 -23.564 1.00 70.34 H new ATOM 0 HB3 ASP A 44 28.684 -26.936 -23.696 1.00 70.34 H new ATOM 680 N ARG A 45 29.890 -25.855 -21.155 1.00 40.20 N ATOM 681 CA ARG A 45 31.202 -25.415 -20.696 1.00 12.33 C ATOM 682 C ARG A 45 31.506 -25.970 -19.308 1.00 24.24 C ATOM 683 O ARG A 45 32.604 -26.463 -19.052 1.00 44.11 O ATOM 684 CB ARG A 45 31.271 -23.887 -20.672 1.00 1.33 C ATOM 685 CG ARG A 45 31.644 -23.273 -22.011 1.00 51.23 C ATOM 686 CD ARG A 45 32.126 -21.839 -21.852 1.00 63.43 C ATOM 687 NE ARG A 45 32.150 -21.125 -23.126 1.00 73.30 N ATOM 688 CZ ARG A 45 32.407 -19.827 -23.236 1.00 12.32 C ATOM 689 NH1 ARG A 45 32.662 -19.104 -22.154 1.00 34.12 N ATOM 690 NH2 ARG A 45 32.410 -19.248 -24.430 1.00 60.51 N ATOM 0 H ARG A 45 29.272 -25.100 -21.453 1.00 40.20 H new ATOM 0 HA ARG A 45 31.949 -25.795 -21.392 1.00 12.33 H new ATOM 0 HB2 ARG A 45 30.304 -23.493 -20.358 1.00 1.33 H new ATOM 0 HB3 ARG A 45 32.000 -23.576 -19.924 1.00 1.33 H new ATOM 0 HG2 ARG A 45 32.425 -23.870 -22.481 1.00 51.23 H new ATOM 0 HG3 ARG A 45 30.781 -23.296 -22.676 1.00 51.23 H new ATOM 0 HD2 ARG A 45 31.475 -21.313 -21.154 1.00 63.43 H new ATOM 0 HD3 ARG A 45 33.126 -21.839 -21.417 1.00 63.43 H new ATOM 0 HE ARG A 45 31.959 -21.652 -23.978 1.00 73.30 H new ATOM 0 HH11 ARG A 45 32.661 -19.545 -21.234 1.00 34.12 H new ATOM 0 HH12 ARG A 45 32.859 -18.107 -22.242 1.00 34.12 H new ATOM 0 HH21 ARG A 45 32.215 -19.800 -25.265 1.00 60.51 H new ATOM 0 HH22 ARG A 45 32.608 -18.251 -24.513 1.00 60.51 H new ATOM 704 N GLY A 46 30.526 -25.886 -18.414 1.00 34.33 N ATOM 705 CA GLY A 46 30.709 -26.384 -17.063 1.00 13.43 C ATOM 706 C GLY A 46 30.237 -25.397 -16.013 1.00 31.21 C ATOM 707 O GLY A 46 30.854 -25.260 -14.956 1.00 44.11 O ATOM 0 H GLY A 46 29.608 -25.482 -18.601 1.00 34.33 H new ATOM 0 HA2 GLY A 46 30.164 -27.321 -16.947 1.00 13.43 H new ATOM 0 HA3 GLY A 46 31.764 -26.606 -16.901 1.00 13.43 H new ATOM 711 N THR A 47 29.139 -24.706 -16.303 1.00 42.34 N ATOM 712 CA THR A 47 28.587 -23.725 -15.378 1.00 54.31 C ATOM 713 C THR A 47 27.063 -23.720 -15.427 1.00 20.00 C ATOM 714 O THR A 47 26.455 -24.444 -16.215 1.00 71.13 O ATOM 715 CB THR A 47 29.103 -22.307 -15.688 1.00 2.12 C ATOM 716 OG1 THR A 47 29.242 -22.134 -17.103 1.00 32.35 O ATOM 717 CG2 THR A 47 30.441 -22.058 -15.008 1.00 0.11 C ATOM 0 H THR A 47 28.615 -24.808 -17.172 1.00 42.34 H new ATOM 0 HA THR A 47 28.916 -24.013 -14.379 1.00 54.31 H new ATOM 0 HB THR A 47 28.378 -21.589 -15.304 1.00 2.12 H new ATOM 0 HG1 THR A 47 28.551 -22.653 -17.565 1.00 32.35 H new ATOM 0 HG21 THR A 47 30.786 -21.051 -15.241 1.00 0.11 H new ATOM 0 HG22 THR A 47 30.326 -22.161 -13.929 1.00 0.11 H new ATOM 0 HG23 THR A 47 31.172 -22.783 -15.366 1.00 0.11 H new ATOM 725 N VAL A 48 26.451 -22.899 -14.580 1.00 12.23 N ATOM 726 CA VAL A 48 24.997 -22.799 -14.528 1.00 2.52 C ATOM 727 C VAL A 48 24.544 -21.344 -14.594 1.00 31.45 C ATOM 728 O VAL A 48 24.631 -20.612 -13.608 1.00 71.41 O ATOM 729 CB VAL A 48 24.436 -23.442 -13.246 1.00 74.42 C ATOM 730 CG1 VAL A 48 22.923 -23.295 -13.193 1.00 74.43 C ATOM 731 CG2 VAL A 48 24.840 -24.907 -13.165 1.00 5.54 C ATOM 0 H VAL A 48 26.939 -22.293 -13.920 1.00 12.23 H new ATOM 0 HA VAL A 48 24.611 -23.337 -15.394 1.00 2.52 H new ATOM 0 HB VAL A 48 24.858 -22.923 -12.385 1.00 74.42 H new ATOM 0 HG11 VAL A 48 22.544 -23.755 -12.280 1.00 74.43 H new ATOM 0 HG12 VAL A 48 22.660 -22.237 -13.202 1.00 74.43 H new ATOM 0 HG13 VAL A 48 22.479 -23.787 -14.058 1.00 74.43 H new ATOM 0 HG21 VAL A 48 24.435 -25.346 -12.253 1.00 5.54 H new ATOM 0 HG22 VAL A 48 24.447 -25.441 -14.030 1.00 5.54 H new ATOM 0 HG23 VAL A 48 25.927 -24.985 -13.154 1.00 5.54 H new ATOM 741 N GLN A 49 24.060 -20.934 -15.761 1.00 54.51 N ATOM 742 CA GLN A 49 23.593 -19.566 -15.955 1.00 55.10 C ATOM 743 C GLN A 49 22.109 -19.445 -15.623 1.00 31.12 C ATOM 744 O GLN A 49 21.284 -20.199 -16.137 1.00 30.21 O ATOM 745 CB GLN A 49 23.843 -19.119 -17.396 1.00 54.23 C ATOM 746 CG GLN A 49 25.316 -19.020 -17.756 1.00 4.45 C ATOM 747 CD GLN A 49 25.565 -19.161 -19.244 1.00 50.03 C ATOM 748 OE1 GLN A 49 24.653 -19.472 -20.011 1.00 21.41 O ATOM 749 NE2 GLN A 49 26.804 -18.932 -19.662 1.00 45.01 N ATOM 0 H GLN A 49 23.981 -21.528 -16.586 1.00 54.51 H new ATOM 0 HA GLN A 49 24.152 -18.919 -15.279 1.00 55.10 H new ATOM 0 HB2 GLN A 49 23.358 -19.821 -18.074 1.00 54.23 H new ATOM 0 HB3 GLN A 49 23.373 -18.148 -17.553 1.00 54.23 H new ATOM 0 HG2 GLN A 49 25.705 -18.060 -17.416 1.00 4.45 H new ATOM 0 HG3 GLN A 49 25.869 -19.795 -17.224 1.00 4.45 H new ATOM 0 HE21 GLN A 49 27.529 -18.677 -18.992 1.00 45.01 H new ATOM 0 HE22 GLN A 49 27.031 -19.011 -20.653 1.00 45.01 H new ATOM 758 N GLY A 50 21.777 -18.491 -14.759 1.00 14.34 N ATOM 759 CA GLY A 50 20.392 -18.289 -14.372 1.00 64.12 C ATOM 760 C GLY A 50 20.003 -16.824 -14.353 1.00 63.23 C ATOM 761 O GLY A 50 20.711 -15.995 -13.782 1.00 65.34 O ATOM 0 H GLY A 50 22.442 -17.854 -14.320 1.00 14.34 H new ATOM 0 HA2 GLY A 50 19.743 -18.825 -15.064 1.00 64.12 H new ATOM 0 HA3 GLY A 50 20.228 -18.718 -13.384 1.00 64.12 H new ATOM 765 N GLN A 51 18.876 -16.505 -14.980 1.00 53.12 N ATOM 766 CA GLN A 51 18.396 -15.129 -15.035 1.00 34.23 C ATOM 767 C GLN A 51 17.362 -14.870 -13.944 1.00 54.21 C ATOM 768 O GLN A 51 16.573 -15.751 -13.600 1.00 13.14 O ATOM 769 CB GLN A 51 17.791 -14.832 -16.408 1.00 44.41 C ATOM 770 CG GLN A 51 17.867 -13.365 -16.801 1.00 72.01 C ATOM 771 CD GLN A 51 17.842 -13.161 -18.303 1.00 73.31 C ATOM 772 OE1 GLN A 51 18.603 -13.790 -19.039 1.00 52.12 O ATOM 773 NE2 GLN A 51 16.964 -12.279 -18.767 1.00 31.34 N ATOM 0 H GLN A 51 18.278 -17.180 -15.457 1.00 53.12 H new ATOM 0 HA GLN A 51 19.246 -14.467 -14.870 1.00 34.23 H new ATOM 0 HB2 GLN A 51 18.307 -15.428 -17.160 1.00 44.41 H new ATOM 0 HB3 GLN A 51 16.748 -15.147 -16.412 1.00 44.41 H new ATOM 0 HG2 GLN A 51 17.031 -12.829 -16.351 1.00 72.01 H new ATOM 0 HG3 GLN A 51 18.780 -12.931 -16.394 1.00 72.01 H new ATOM 0 HE21 GLN A 51 16.352 -11.780 -18.121 1.00 31.34 H new ATOM 0 HE22 GLN A 51 16.901 -12.101 -19.769 1.00 31.34 H new ATOM 782 N LEU A 52 17.371 -13.656 -13.404 1.00 32.33 N ATOM 783 CA LEU A 52 16.433 -13.280 -12.351 1.00 25.41 C ATOM 784 C LEU A 52 15.934 -11.853 -12.551 1.00 75.40 C ATOM 785 O LEU A 52 16.687 -10.975 -12.971 1.00 32.42 O ATOM 786 CB LEU A 52 17.097 -13.413 -10.979 1.00 50.10 C ATOM 787 CG LEU A 52 16.296 -12.878 -9.792 1.00 33.15 C ATOM 788 CD1 LEU A 52 15.086 -13.760 -9.523 1.00 51.35 C ATOM 789 CD2 LEU A 52 17.175 -12.785 -8.553 1.00 62.31 C ATOM 0 H LEU A 52 18.017 -12.915 -13.678 1.00 32.33 H new ATOM 0 HA LEU A 52 15.578 -13.954 -12.401 1.00 25.41 H new ATOM 0 HB2 LEU A 52 17.311 -14.467 -10.802 1.00 50.10 H new ATOM 0 HB3 LEU A 52 18.055 -12.894 -11.009 1.00 50.10 H new ATOM 0 HG LEU A 52 15.943 -11.877 -10.039 1.00 33.15 H new ATOM 0 HD11 LEU A 52 14.528 -13.363 -8.675 1.00 51.35 H new ATOM 0 HD12 LEU A 52 14.444 -13.776 -10.404 1.00 51.35 H new ATOM 0 HD13 LEU A 52 15.418 -14.774 -9.297 1.00 51.35 H new ATOM 0 HD21 LEU A 52 16.588 -12.402 -7.718 1.00 62.31 H new ATOM 0 HD22 LEU A 52 17.558 -13.774 -8.304 1.00 62.31 H new ATOM 0 HD23 LEU A 52 18.009 -12.112 -8.749 1.00 62.31 H new ATOM 801 N GLN A 53 14.659 -11.630 -12.246 1.00 4.13 N ATOM 802 CA GLN A 53 14.060 -10.309 -12.391 1.00 10.31 C ATOM 803 C GLN A 53 13.436 -9.847 -11.078 1.00 55.03 C ATOM 804 O GLN A 53 13.272 -10.634 -10.147 1.00 10.54 O ATOM 805 CB GLN A 53 13.002 -10.324 -13.495 1.00 74.22 C ATOM 806 CG GLN A 53 13.495 -10.924 -14.802 1.00 34.51 C ATOM 807 CD GLN A 53 13.339 -12.432 -14.847 1.00 54.33 C ATOM 808 OE1 GLN A 53 12.333 -12.977 -14.392 1.00 21.31 O ATOM 809 NE2 GLN A 53 14.336 -13.114 -15.399 1.00 14.04 N ATOM 0 H GLN A 53 14.022 -12.346 -11.897 1.00 4.13 H new ATOM 0 HA GLN A 53 14.849 -9.608 -12.663 1.00 10.31 H new ATOM 0 HB2 GLN A 53 12.136 -10.889 -13.149 1.00 74.22 H new ATOM 0 HB3 GLN A 53 12.665 -9.304 -13.678 1.00 74.22 H new ATOM 0 HG2 GLN A 53 12.944 -10.481 -15.632 1.00 34.51 H new ATOM 0 HG3 GLN A 53 14.545 -10.667 -14.942 1.00 34.51 H new ATOM 0 HE21 GLN A 53 15.151 -12.621 -15.763 1.00 14.04 H new ATOM 0 HE22 GLN A 53 14.287 -14.131 -15.459 1.00 14.04 H new ATOM 818 N GLY A 54 13.089 -8.565 -11.012 1.00 74.11 N ATOM 819 CA GLY A 54 12.487 -8.021 -9.809 1.00 55.31 C ATOM 820 C GLY A 54 13.034 -6.652 -9.455 1.00 74.12 C ATOM 821 O GLY A 54 13.967 -6.151 -10.084 1.00 34.45 O ATOM 0 H GLY A 54 13.214 -7.894 -11.770 1.00 74.11 H new ATOM 0 HA2 GLY A 54 11.408 -7.954 -9.945 1.00 55.31 H new ATOM 0 HA3 GLY A 54 12.661 -8.705 -8.978 1.00 55.31 H new ATOM 825 N PRO A 55 12.445 -6.023 -8.427 1.00 23.10 N ATOM 826 CA PRO A 55 12.862 -4.695 -7.968 1.00 45.22 C ATOM 827 C PRO A 55 14.232 -4.717 -7.298 1.00 42.44 C ATOM 828 O PRO A 55 14.721 -5.774 -6.898 1.00 50.34 O ATOM 829 CB PRO A 55 11.779 -4.312 -6.957 1.00 31.20 C ATOM 830 CG PRO A 55 11.240 -5.613 -6.469 1.00 5.44 C ATOM 831 CD PRO A 55 11.328 -6.560 -7.633 1.00 32.43 C ATOM 0 HA PRO A 55 12.961 -3.991 -8.794 1.00 45.22 H new ATOM 0 HB2 PRO A 55 12.192 -3.722 -6.138 1.00 31.20 H new ATOM 0 HB3 PRO A 55 10.999 -3.709 -7.422 1.00 31.20 H new ATOM 0 HG2 PRO A 55 11.818 -5.982 -5.621 1.00 5.44 H new ATOM 0 HG3 PRO A 55 10.210 -5.506 -6.130 1.00 5.44 H new ATOM 0 HD2 PRO A 55 11.522 -7.581 -7.306 1.00 32.43 H new ATOM 0 HD3 PRO A 55 10.401 -6.580 -8.206 1.00 32.43 H new ATOM 839 N ILE A 56 14.846 -3.544 -7.179 1.00 61.22 N ATOM 840 CA ILE A 56 16.159 -3.430 -6.556 1.00 52.21 C ATOM 841 C ILE A 56 16.133 -3.944 -5.121 1.00 13.54 C ATOM 842 O ILE A 56 17.169 -4.298 -4.558 1.00 51.33 O ATOM 843 CB ILE A 56 16.658 -1.973 -6.559 1.00 43.11 C ATOM 844 CG1 ILE A 56 18.059 -1.890 -5.950 1.00 3.13 C ATOM 845 CG2 ILE A 56 15.690 -1.080 -5.798 1.00 50.52 C ATOM 846 CD1 ILE A 56 18.807 -0.629 -6.323 1.00 13.23 C ATOM 0 H ILE A 56 14.455 -2.660 -7.506 1.00 61.22 H new ATOM 0 HA ILE A 56 16.843 -4.041 -7.145 1.00 52.21 H new ATOM 0 HB ILE A 56 16.709 -1.624 -7.590 1.00 43.11 H new ATOM 0 HG12 ILE A 56 17.978 -1.947 -4.864 1.00 3.13 H new ATOM 0 HG13 ILE A 56 18.638 -2.755 -6.273 1.00 3.13 H new ATOM 0 HG21 ILE A 56 16.057 -0.054 -5.809 1.00 50.52 H new ATOM 0 HG22 ILE A 56 14.709 -1.120 -6.271 1.00 50.52 H new ATOM 0 HG23 ILE A 56 15.610 -1.426 -4.767 1.00 50.52 H new ATOM 0 HD11 ILE A 56 19.792 -0.639 -5.856 1.00 13.23 H new ATOM 0 HD12 ILE A 56 18.919 -0.580 -7.406 1.00 13.23 H new ATOM 0 HD13 ILE A 56 18.249 0.241 -5.976 1.00 13.23 H new ATOM 858 N SER A 57 14.941 -3.983 -4.534 1.00 11.14 N ATOM 859 CA SER A 57 14.779 -4.452 -3.162 1.00 43.23 C ATOM 860 C SER A 57 14.704 -5.975 -3.114 1.00 41.13 C ATOM 861 O SER A 57 14.842 -6.582 -2.052 1.00 61.33 O ATOM 862 CB SER A 57 13.519 -3.848 -2.539 1.00 43.24 C ATOM 863 OG SER A 57 13.484 -4.072 -1.141 1.00 1.14 O ATOM 0 H SER A 57 14.073 -3.696 -4.987 1.00 11.14 H new ATOM 0 HA SER A 57 15.649 -4.130 -2.589 1.00 43.23 H new ATOM 0 HB2 SER A 57 13.488 -2.777 -2.740 1.00 43.24 H new ATOM 0 HB3 SER A 57 12.635 -4.285 -3.003 1.00 43.24 H new ATOM 0 HG SER A 57 13.939 -4.915 -0.933 1.00 1.14 H new ATOM 869 N LYS A 58 14.484 -6.587 -4.273 1.00 50.20 N ATOM 870 CA LYS A 58 14.391 -8.039 -4.366 1.00 41.15 C ATOM 871 C LYS A 58 15.657 -8.627 -4.983 1.00 15.52 C ATOM 872 O LYS A 58 16.160 -9.655 -4.530 1.00 51.21 O ATOM 873 CB LYS A 58 13.172 -8.440 -5.200 1.00 14.14 C ATOM 874 CG LYS A 58 11.853 -8.289 -4.460 1.00 25.30 C ATOM 875 CD LYS A 58 11.666 -9.386 -3.425 1.00 60.34 C ATOM 876 CE LYS A 58 10.654 -8.984 -2.364 1.00 33.12 C ATOM 877 NZ LYS A 58 9.257 -9.275 -2.791 1.00 21.33 N ATOM 0 H LYS A 58 14.367 -6.099 -5.161 1.00 50.20 H new ATOM 0 HA LYS A 58 14.281 -8.436 -3.357 1.00 41.15 H new ATOM 0 HB2 LYS A 58 13.144 -7.831 -6.104 1.00 14.14 H new ATOM 0 HB3 LYS A 58 13.284 -9.477 -5.518 1.00 14.14 H new ATOM 0 HG2 LYS A 58 11.819 -7.316 -3.970 1.00 25.30 H new ATOM 0 HG3 LYS A 58 11.029 -8.316 -5.173 1.00 25.30 H new ATOM 0 HD2 LYS A 58 11.335 -10.300 -3.918 1.00 60.34 H new ATOM 0 HD3 LYS A 58 12.622 -9.608 -2.952 1.00 60.34 H new ATOM 0 HE2 LYS A 58 10.869 -9.516 -1.437 1.00 33.12 H new ATOM 0 HE3 LYS A 58 10.754 -7.920 -2.151 1.00 33.12 H new ATOM 0 HZ1 LYS A 58 8.597 -8.987 -2.040 1.00 21.33 H new ATOM 0 HZ2 LYS A 58 9.043 -8.748 -3.661 1.00 21.33 H new ATOM 0 HZ3 LYS A 58 9.154 -10.294 -2.970 1.00 21.33 H new ATOM 891 N VAL A 59 16.167 -7.966 -6.017 1.00 61.35 N ATOM 892 CA VAL A 59 17.376 -8.422 -6.694 1.00 55.01 C ATOM 893 C VAL A 59 18.571 -8.414 -5.748 1.00 61.42 C ATOM 894 O VAL A 59 19.583 -9.068 -6.005 1.00 14.44 O ATOM 895 CB VAL A 59 17.698 -7.545 -7.918 1.00 51.24 C ATOM 896 CG1 VAL A 59 18.918 -8.080 -8.653 1.00 32.13 C ATOM 897 CG2 VAL A 59 16.497 -7.467 -8.849 1.00 31.31 C ATOM 0 H VAL A 59 15.762 -7.114 -6.404 1.00 61.35 H new ATOM 0 HA VAL A 59 17.187 -9.442 -7.027 1.00 55.01 H new ATOM 0 HB VAL A 59 17.926 -6.537 -7.570 1.00 51.24 H new ATOM 0 HG11 VAL A 59 19.130 -7.447 -9.515 1.00 32.13 H new ATOM 0 HG12 VAL A 59 19.777 -8.079 -7.982 1.00 32.13 H new ATOM 0 HG13 VAL A 59 18.722 -9.098 -8.990 1.00 32.13 H new ATOM 0 HG21 VAL A 59 16.743 -6.843 -9.708 1.00 31.31 H new ATOM 0 HG22 VAL A 59 16.236 -8.469 -9.190 1.00 31.31 H new ATOM 0 HG23 VAL A 59 15.651 -7.033 -8.316 1.00 31.31 H new ATOM 907 N ARG A 60 18.448 -7.671 -4.653 1.00 73.23 N ATOM 908 CA ARG A 60 19.519 -7.578 -3.669 1.00 13.24 C ATOM 909 C ARG A 60 19.306 -8.579 -2.537 1.00 71.43 C ATOM 910 O ARG A 60 19.818 -8.401 -1.432 1.00 21.24 O ATOM 911 CB ARG A 60 19.596 -6.159 -3.101 1.00 31.53 C ATOM 912 CG ARG A 60 20.497 -5.232 -3.899 1.00 44.00 C ATOM 913 CD ARG A 60 21.937 -5.300 -3.413 1.00 52.21 C ATOM 914 NE ARG A 60 22.877 -4.803 -4.415 1.00 34.43 N ATOM 915 CZ ARG A 60 24.120 -4.429 -4.134 1.00 71.32 C ATOM 916 NH1 ARG A 60 24.571 -4.496 -2.889 1.00 52.41 N ATOM 917 NH2 ARG A 60 24.915 -3.988 -5.100 1.00 63.44 N ATOM 0 H ARG A 60 17.617 -7.125 -4.425 1.00 73.23 H new ATOM 0 HA ARG A 60 20.459 -7.815 -4.168 1.00 13.24 H new ATOM 0 HB2 ARG A 60 18.592 -5.735 -3.067 1.00 31.53 H new ATOM 0 HB3 ARG A 60 19.957 -6.207 -2.074 1.00 31.53 H new ATOM 0 HG2 ARG A 60 20.455 -5.502 -4.954 1.00 44.00 H new ATOM 0 HG3 ARG A 60 20.132 -4.208 -3.817 1.00 44.00 H new ATOM 0 HD2 ARG A 60 22.039 -4.715 -2.499 1.00 52.21 H new ATOM 0 HD3 ARG A 60 22.186 -6.331 -3.162 1.00 52.21 H new ATOM 0 HE ARG A 60 22.561 -4.740 -5.383 1.00 34.43 H new ATOM 0 HH11 ARG A 60 23.963 -4.836 -2.144 1.00 52.41 H new ATOM 0 HH12 ARG A 60 25.526 -4.208 -2.676 1.00 52.41 H new ATOM 0 HH21 ARG A 60 24.572 -3.936 -6.059 1.00 63.44 H new ATOM 0 HH22 ARG A 60 25.870 -3.701 -4.884 1.00 63.44 H new ATOM 931 N HIS A 61 18.546 -9.633 -2.821 1.00 45.33 N ATOM 932 CA HIS A 61 18.266 -10.663 -1.828 1.00 32.03 C ATOM 933 C HIS A 61 18.744 -12.029 -2.311 1.00 51.23 C ATOM 934 O HIS A 61 19.470 -12.728 -1.606 1.00 23.11 O ATOM 935 CB HIS A 61 16.768 -10.713 -1.523 1.00 4.44 C ATOM 936 CG HIS A 61 16.288 -9.562 -0.693 1.00 32.24 C ATOM 937 ND1 HIS A 61 17.131 -8.775 0.063 1.00 42.03 N ATOM 938 CD2 HIS A 61 15.043 -9.066 -0.503 1.00 73.51 C ATOM 939 CE1 HIS A 61 16.425 -7.846 0.682 1.00 4.12 C ATOM 940 NE2 HIS A 61 15.155 -8.001 0.355 1.00 1.54 N ATOM 0 H HIS A 61 18.114 -9.795 -3.730 1.00 45.33 H new ATOM 0 HA HIS A 61 18.807 -10.410 -0.916 1.00 32.03 H new ATOM 0 HB2 HIS A 61 16.215 -10.729 -2.462 1.00 4.44 H new ATOM 0 HB3 HIS A 61 16.542 -11.644 -1.004 1.00 4.44 H new ATOM 0 HD2 HIS A 61 14.131 -9.439 -0.945 1.00 73.51 H new ATOM 0 HE1 HIS A 61 16.819 -7.088 1.343 1.00 4.12 H new ATOM 0 HE2 HIS A 61 14.383 -7.423 0.686 1.00 1.54 H new ATOM 948 N MET A 62 18.330 -12.402 -3.518 1.00 45.10 N ATOM 949 CA MET A 62 18.717 -13.684 -4.095 1.00 43.14 C ATOM 950 C MET A 62 20.219 -13.731 -4.357 1.00 24.32 C ATOM 951 O MET A 62 20.865 -14.754 -4.131 1.00 60.41 O ATOM 952 CB MET A 62 17.953 -13.933 -5.397 1.00 42.43 C ATOM 953 CG MET A 62 18.197 -15.310 -5.991 1.00 61.35 C ATOM 954 SD MET A 62 16.840 -15.864 -7.042 1.00 44.43 S ATOM 955 CE MET A 62 15.869 -16.808 -5.871 1.00 72.52 C ATOM 0 H MET A 62 17.727 -11.835 -4.115 1.00 45.10 H new ATOM 0 HA MET A 62 18.466 -14.467 -3.379 1.00 43.14 H new ATOM 0 HB2 MET A 62 16.886 -13.810 -5.212 1.00 42.43 H new ATOM 0 HB3 MET A 62 18.239 -13.176 -6.127 1.00 42.43 H new ATOM 0 HG2 MET A 62 19.118 -15.292 -6.573 1.00 61.35 H new ATOM 0 HG3 MET A 62 18.343 -16.029 -5.185 1.00 61.35 H new ATOM 0 HE1 MET A 62 15.702 -17.812 -6.262 1.00 72.52 H new ATOM 0 HE2 MET A 62 16.403 -16.872 -4.923 1.00 72.52 H new ATOM 0 HE3 MET A 62 14.909 -16.316 -5.714 1.00 72.52 H new ATOM 965 N GLN A 63 20.768 -12.619 -4.834 1.00 0.43 N ATOM 966 CA GLN A 63 22.194 -12.535 -5.126 1.00 60.34 C ATOM 967 C GLN A 63 23.023 -12.775 -3.869 1.00 33.23 C ATOM 968 O GLN A 63 24.131 -13.305 -3.937 1.00 22.01 O ATOM 969 CB GLN A 63 22.535 -11.169 -5.723 1.00 13.51 C ATOM 970 CG GLN A 63 22.519 -10.039 -4.705 1.00 72.42 C ATOM 971 CD GLN A 63 22.739 -8.680 -5.338 1.00 52.25 C ATOM 972 OE1 GLN A 63 22.170 -8.371 -6.386 1.00 1.41 O ATOM 973 NE2 GLN A 63 23.568 -7.858 -4.705 1.00 35.33 N ATOM 0 H GLN A 63 20.247 -11.764 -5.027 1.00 0.43 H new ATOM 0 HA GLN A 63 22.436 -13.311 -5.852 1.00 60.34 H new ATOM 0 HB2 GLN A 63 23.522 -11.219 -6.183 1.00 13.51 H new ATOM 0 HB3 GLN A 63 21.824 -10.941 -6.518 1.00 13.51 H new ATOM 0 HG2 GLN A 63 21.563 -10.041 -4.181 1.00 72.42 H new ATOM 0 HG3 GLN A 63 23.293 -10.217 -3.958 1.00 72.42 H new ATOM 0 HE21 GLN A 63 24.018 -8.155 -3.839 1.00 35.33 H new ATOM 0 HE22 GLN A 63 23.755 -6.930 -5.085 1.00 35.33 H new ATOM 982 N GLU A 64 22.477 -12.381 -2.722 1.00 62.13 N ATOM 983 CA GLU A 64 23.168 -12.553 -1.450 1.00 10.24 C ATOM 984 C GLU A 64 22.713 -13.831 -0.752 1.00 32.33 C ATOM 985 O GLU A 64 22.651 -13.892 0.476 1.00 32.13 O ATOM 986 CB GLU A 64 22.919 -11.347 -0.542 1.00 15.42 C ATOM 987 CG GLU A 64 21.467 -11.191 -0.121 1.00 73.23 C ATOM 988 CD GLU A 64 21.274 -10.108 0.922 1.00 43.30 C ATOM 989 OE1 GLU A 64 21.780 -8.985 0.711 1.00 71.31 O ATOM 990 OE2 GLU A 64 20.619 -10.382 1.949 1.00 51.32 O ATOM 0 H GLU A 64 21.560 -11.941 -2.648 1.00 62.13 H new ATOM 0 HA GLU A 64 24.236 -12.631 -1.654 1.00 10.24 H new ATOM 0 HB2 GLU A 64 23.539 -11.440 0.350 1.00 15.42 H new ATOM 0 HB3 GLU A 64 23.238 -10.442 -1.059 1.00 15.42 H new ATOM 0 HG2 GLU A 64 20.862 -10.958 -0.997 1.00 73.23 H new ATOM 0 HG3 GLU A 64 21.104 -12.140 0.274 1.00 73.23 H new ATOM 997 N TRP A 65 22.395 -14.849 -1.543 1.00 63.13 N ATOM 998 CA TRP A 65 21.945 -16.127 -1.002 1.00 50.51 C ATOM 999 C TRP A 65 22.661 -17.288 -1.682 1.00 22.44 C ATOM 1000 O TRP A 65 23.056 -18.255 -1.028 1.00 11.00 O ATOM 1001 CB TRP A 65 20.432 -16.272 -1.175 1.00 63.32 C ATOM 1002 CG TRP A 65 19.888 -17.543 -0.597 1.00 31.34 C ATOM 1003 CD1 TRP A 65 19.966 -18.792 -1.144 1.00 21.24 C ATOM 1004 CD2 TRP A 65 19.180 -17.688 0.640 1.00 64.04 C ATOM 1005 NE1 TRP A 65 19.350 -19.705 -0.322 1.00 13.33 N ATOM 1006 CE2 TRP A 65 18.860 -19.053 0.779 1.00 4.31 C ATOM 1007 CE3 TRP A 65 18.788 -16.798 1.643 1.00 30.32 C ATOM 1008 CZ2 TRP A 65 18.166 -19.545 1.881 1.00 60.32 C ATOM 1009 CZ3 TRP A 65 18.099 -17.289 2.736 1.00 54.32 C ATOM 1010 CH2 TRP A 65 17.794 -18.652 2.848 1.00 11.22 C ATOM 0 H TRP A 65 22.440 -14.815 -2.561 1.00 63.13 H new ATOM 0 HA TRP A 65 22.186 -16.149 0.061 1.00 50.51 H new ATOM 0 HB2 TRP A 65 19.936 -15.424 -0.702 1.00 63.32 H new ATOM 0 HB3 TRP A 65 20.189 -16.231 -2.237 1.00 63.32 H new ATOM 0 HD1 TRP A 65 20.442 -19.028 -2.084 1.00 21.24 H new ATOM 0 HE1 TRP A 65 19.270 -20.706 -0.502 1.00 13.33 H new ATOM 0 HE3 TRP A 65 19.019 -15.746 1.566 1.00 30.32 H new ATOM 0 HZ2 TRP A 65 17.930 -20.595 1.969 1.00 60.32 H new ATOM 0 HZ3 TRP A 65 17.790 -16.610 3.517 1.00 54.32 H new ATOM 0 HH2 TRP A 65 17.255 -19.004 3.715 1.00 11.22 H new ATOM 1021 N LEU A 66 22.826 -17.189 -2.996 1.00 4.41 N ATOM 1022 CA LEU A 66 23.496 -18.232 -3.764 1.00 62.22 C ATOM 1023 C LEU A 66 25.000 -18.214 -3.511 1.00 63.23 C ATOM 1024 O LEU A 66 25.682 -19.222 -3.694 1.00 33.40 O ATOM 1025 CB LEU A 66 23.216 -18.053 -5.257 1.00 44.24 C ATOM 1026 CG LEU A 66 21.880 -18.600 -5.760 1.00 63.34 C ATOM 1027 CD1 LEU A 66 21.629 -18.160 -7.194 1.00 53.21 C ATOM 1028 CD2 LEU A 66 21.852 -20.118 -5.654 1.00 71.11 C ATOM 0 H LEU A 66 22.505 -16.397 -3.552 1.00 4.41 H new ATOM 0 HA LEU A 66 23.104 -19.196 -3.440 1.00 62.22 H new ATOM 0 HB2 LEU A 66 23.261 -16.989 -5.489 1.00 44.24 H new ATOM 0 HB3 LEU A 66 24.017 -18.536 -5.817 1.00 44.24 H new ATOM 0 HG LEU A 66 21.085 -18.197 -5.133 1.00 63.34 H new ATOM 0 HD11 LEU A 66 20.674 -18.559 -7.535 1.00 53.21 H new ATOM 0 HD12 LEU A 66 21.606 -17.071 -7.242 1.00 53.21 H new ATOM 0 HD13 LEU A 66 22.428 -18.534 -7.834 1.00 53.21 H new ATOM 0 HD21 LEU A 66 20.894 -20.490 -6.016 1.00 71.11 H new ATOM 0 HD22 LEU A 66 22.656 -20.540 -6.257 1.00 71.11 H new ATOM 0 HD23 LEU A 66 21.986 -20.413 -4.613 1.00 71.11 H new ATOM 1040 N GLU A 67 25.510 -17.062 -3.088 1.00 44.21 N ATOM 1041 CA GLU A 67 26.934 -16.914 -2.809 1.00 31.02 C ATOM 1042 C GLU A 67 27.218 -17.095 -1.320 1.00 51.54 C ATOM 1043 O GLU A 67 28.313 -17.502 -0.930 1.00 15.23 O ATOM 1044 CB GLU A 67 27.427 -15.541 -3.270 1.00 61.15 C ATOM 1045 CG GLU A 67 26.728 -14.380 -2.582 1.00 64.45 C ATOM 1046 CD GLU A 67 27.535 -13.814 -1.431 1.00 5.43 C ATOM 1047 OE1 GLU A 67 28.499 -14.480 -0.998 1.00 44.42 O ATOM 1048 OE2 GLU A 67 27.203 -12.705 -0.962 1.00 5.02 O ATOM 0 H GLU A 67 24.959 -16.218 -2.931 1.00 44.21 H new ATOM 0 HA GLU A 67 27.468 -17.688 -3.360 1.00 31.02 H new ATOM 0 HB2 GLU A 67 28.499 -15.469 -3.086 1.00 61.15 H new ATOM 0 HB3 GLU A 67 27.282 -15.455 -4.347 1.00 61.15 H new ATOM 0 HG2 GLU A 67 26.538 -13.592 -3.310 1.00 64.45 H new ATOM 0 HG3 GLU A 67 25.758 -14.712 -2.212 1.00 64.45 H new ATOM 1055 N THR A 68 26.224 -16.788 -0.493 1.00 13.23 N ATOM 1056 CA THR A 68 26.366 -16.914 0.952 1.00 13.23 C ATOM 1057 C THR A 68 25.962 -18.306 1.425 1.00 4.21 C ATOM 1058 O THR A 68 26.775 -19.040 1.987 1.00 71.51 O ATOM 1059 CB THR A 68 25.515 -15.866 1.694 1.00 50.40 C ATOM 1060 OG1 THR A 68 24.157 -15.929 1.244 1.00 61.31 O ATOM 1061 CG2 THR A 68 26.064 -14.465 1.468 1.00 22.03 C ATOM 0 H THR A 68 25.312 -16.450 -0.799 1.00 13.23 H new ATOM 0 HA THR A 68 27.418 -16.746 1.182 1.00 13.23 H new ATOM 0 HB THR A 68 25.555 -16.088 2.760 1.00 50.40 H new ATOM 0 HG1 THR A 68 23.782 -15.024 1.207 1.00 61.31 H new ATOM 0 HG21 THR A 68 25.447 -13.742 2.001 1.00 22.03 H new ATOM 0 HG22 THR A 68 27.088 -14.411 1.838 1.00 22.03 H new ATOM 0 HG23 THR A 68 26.051 -14.237 0.402 1.00 22.03 H new ATOM 1069 N ARG A 69 24.703 -18.663 1.193 1.00 3.55 N ATOM 1070 CA ARG A 69 24.192 -19.967 1.597 1.00 64.14 C ATOM 1071 C ARG A 69 25.037 -21.090 1.000 1.00 12.44 C ATOM 1072 O ARG A 69 25.685 -21.844 1.724 1.00 20.12 O ATOM 1073 CB ARG A 69 22.734 -20.125 1.161 1.00 45.44 C ATOM 1074 CG ARG A 69 21.916 -21.015 2.081 1.00 1.14 C ATOM 1075 CD ARG A 69 22.404 -22.455 2.042 1.00 54.21 C ATOM 1076 NE ARG A 69 21.578 -23.335 2.865 1.00 41.15 N ATOM 1077 CZ ARG A 69 21.640 -23.372 4.191 1.00 73.41 C ATOM 1078 NH1 ARG A 69 22.483 -22.583 4.841 1.00 24.13 N ATOM 1079 NH2 ARG A 69 20.856 -24.200 4.870 1.00 73.45 N ATOM 0 H ARG A 69 24.018 -18.067 0.727 1.00 3.55 H new ATOM 0 HA ARG A 69 24.248 -20.031 2.684 1.00 64.14 H new ATOM 0 HB2 ARG A 69 22.269 -19.140 1.114 1.00 45.44 H new ATOM 0 HB3 ARG A 69 22.708 -20.538 0.153 1.00 45.44 H new ATOM 0 HG2 ARG A 69 21.975 -20.637 3.102 1.00 1.14 H new ATOM 0 HG3 ARG A 69 20.867 -20.977 1.787 1.00 1.14 H new ATOM 0 HD2 ARG A 69 22.399 -22.812 1.012 1.00 54.21 H new ATOM 0 HD3 ARG A 69 23.436 -22.498 2.389 1.00 54.21 H new ATOM 0 HE ARG A 69 20.918 -23.955 2.396 1.00 41.15 H new ATOM 0 HH11 ARG A 69 23.087 -21.945 4.323 1.00 24.13 H new ATOM 0 HH12 ARG A 69 22.528 -22.614 5.860 1.00 24.13 H new ATOM 0 HH21 ARG A 69 20.205 -24.809 4.373 1.00 73.45 H new ATOM 0 HH22 ARG A 69 20.904 -24.228 5.888 1.00 73.45 H new ATOM 1093 N GLY A 70 25.023 -21.194 -0.325 1.00 42.42 N ATOM 1094 CA GLY A 70 25.791 -22.227 -0.996 1.00 55.41 C ATOM 1095 C GLY A 70 25.158 -23.598 -0.863 1.00 53.41 C ATOM 1096 O GLY A 70 25.548 -24.388 -0.004 1.00 15.24 O ATOM 0 H GLY A 70 24.494 -20.582 -0.946 1.00 42.42 H new ATOM 0 HA2 GLY A 70 25.887 -21.976 -2.052 1.00 55.41 H new ATOM 0 HA3 GLY A 70 26.799 -22.254 -0.581 1.00 55.41 H new ATOM 1100 N SER A 71 24.177 -23.880 -1.715 1.00 23.32 N ATOM 1101 CA SER A 71 23.485 -25.163 -1.685 1.00 61.40 C ATOM 1102 C SER A 71 24.481 -26.319 -1.726 1.00 14.21 C ATOM 1103 O SER A 71 25.637 -26.162 -2.120 1.00 34.24 O ATOM 1104 CB SER A 71 22.514 -25.270 -2.862 1.00 72.32 C ATOM 1105 OG SER A 71 22.415 -24.038 -3.555 1.00 35.20 O ATOM 0 H SER A 71 23.844 -23.238 -2.434 1.00 23.32 H new ATOM 0 HA SER A 71 22.923 -25.223 -0.753 1.00 61.40 H new ATOM 0 HB2 SER A 71 22.851 -26.049 -3.546 1.00 72.32 H new ATOM 0 HB3 SER A 71 21.530 -25.567 -2.500 1.00 72.32 H new ATOM 0 HG SER A 71 21.790 -24.133 -4.304 1.00 35.20 H new ATOM 1111 N PRO A 72 24.022 -27.508 -1.309 1.00 65.50 N ATOM 1112 CA PRO A 72 24.855 -28.715 -1.288 1.00 45.54 C ATOM 1113 C PRO A 72 25.178 -29.220 -2.690 1.00 64.13 C ATOM 1114 O PRO A 72 24.386 -29.057 -3.618 1.00 72.53 O ATOM 1115 CB PRO A 72 23.990 -29.731 -0.540 1.00 14.13 C ATOM 1116 CG PRO A 72 22.590 -29.269 -0.756 1.00 41.43 C ATOM 1117 CD PRO A 72 22.656 -27.768 -0.826 1.00 73.03 C ATOM 0 HA PRO A 72 25.823 -28.534 -0.821 1.00 45.54 H new ATOM 0 HB2 PRO A 72 24.138 -30.739 -0.928 1.00 14.13 H new ATOM 0 HB3 PRO A 72 24.239 -29.758 0.521 1.00 14.13 H new ATOM 0 HG2 PRO A 72 22.179 -29.685 -1.676 1.00 41.43 H new ATOM 0 HG3 PRO A 72 21.942 -29.594 0.058 1.00 41.43 H new ATOM 0 HD2 PRO A 72 21.906 -27.364 -1.506 1.00 73.03 H new ATOM 0 HD3 PRO A 72 22.481 -27.312 0.149 1.00 73.03 H new ATOM 1125 N LYS A 73 26.347 -29.835 -2.838 1.00 2.51 N ATOM 1126 CA LYS A 73 26.775 -30.366 -4.126 1.00 63.24 C ATOM 1127 C LYS A 73 26.851 -29.260 -5.174 1.00 11.45 C ATOM 1128 O LYS A 73 26.803 -29.524 -6.375 1.00 33.43 O ATOM 1129 CB LYS A 73 25.814 -31.461 -4.594 1.00 52.04 C ATOM 1130 CG LYS A 73 25.440 -32.449 -3.503 1.00 73.13 C ATOM 1131 CD LYS A 73 24.452 -33.488 -4.007 1.00 14.14 C ATOM 1132 CE LYS A 73 23.014 -33.028 -3.818 1.00 3.45 C ATOM 1133 NZ LYS A 73 22.052 -33.898 -4.549 1.00 4.12 N ATOM 0 H LYS A 73 27.015 -29.978 -2.081 1.00 2.51 H new ATOM 0 HA LYS A 73 27.770 -30.793 -4.002 1.00 63.24 H new ATOM 0 HB2 LYS A 73 24.906 -30.996 -4.978 1.00 52.04 H new ATOM 0 HB3 LYS A 73 26.270 -32.003 -5.423 1.00 52.04 H new ATOM 0 HG2 LYS A 73 26.338 -32.947 -3.138 1.00 73.13 H new ATOM 0 HG3 LYS A 73 25.007 -31.913 -2.658 1.00 73.13 H new ATOM 0 HD2 LYS A 73 24.636 -33.685 -5.063 1.00 14.14 H new ATOM 0 HD3 LYS A 73 24.607 -34.427 -3.476 1.00 14.14 H new ATOM 0 HE2 LYS A 73 22.769 -33.029 -2.756 1.00 3.45 H new ATOM 0 HE3 LYS A 73 22.913 -32.001 -4.168 1.00 3.45 H new ATOM 0 HZ1 LYS A 73 21.525 -33.328 -5.241 1.00 4.12 H new ATOM 0 HZ2 LYS A 73 22.572 -34.651 -5.044 1.00 4.12 H new ATOM 0 HZ3 LYS A 73 21.386 -34.324 -3.873 1.00 4.12 H new ATOM 1147 N SER A 74 26.971 -28.020 -4.710 1.00 41.31 N ATOM 1148 CA SER A 74 27.051 -26.873 -5.607 1.00 43.20 C ATOM 1149 C SER A 74 28.064 -25.853 -5.095 1.00 50.34 C ATOM 1150 O SER A 74 27.697 -24.762 -4.658 1.00 52.41 O ATOM 1151 CB SER A 74 25.677 -26.215 -5.753 1.00 25.52 C ATOM 1152 OG SER A 74 24.886 -26.426 -4.596 1.00 60.34 O ATOM 0 H SER A 74 27.015 -27.784 -3.719 1.00 41.31 H new ATOM 0 HA SER A 74 27.381 -27.229 -6.583 1.00 43.20 H new ATOM 0 HB2 SER A 74 25.799 -25.145 -5.924 1.00 25.52 H new ATOM 0 HB3 SER A 74 25.166 -26.622 -6.626 1.00 25.52 H new ATOM 0 HG SER A 74 25.470 -26.540 -3.817 1.00 60.34 H new ATOM 1158 N HIS A 75 29.341 -26.216 -5.153 1.00 63.04 N ATOM 1159 CA HIS A 75 30.409 -25.333 -4.697 1.00 32.13 C ATOM 1160 C HIS A 75 30.287 -23.955 -5.340 1.00 73.24 C ATOM 1161 O HIS A 75 29.624 -23.795 -6.366 1.00 64.30 O ATOM 1162 CB HIS A 75 31.774 -25.940 -5.019 1.00 65.30 C ATOM 1163 CG HIS A 75 32.856 -25.520 -4.072 1.00 14.43 C ATOM 1164 ND1 HIS A 75 33.230 -26.269 -2.976 1.00 40.14 N ATOM 1165 CD2 HIS A 75 33.645 -24.420 -4.062 1.00 25.55 C ATOM 1166 CE1 HIS A 75 34.202 -25.648 -2.332 1.00 62.14 C ATOM 1167 NE2 HIS A 75 34.473 -24.524 -2.971 1.00 3.02 N ATOM 0 H HIS A 75 29.662 -27.116 -5.511 1.00 63.04 H new ATOM 0 HA HIS A 75 30.316 -25.220 -3.617 1.00 32.13 H new ATOM 0 HB2 HIS A 75 31.692 -27.027 -5.004 1.00 65.30 H new ATOM 0 HB3 HIS A 75 32.059 -25.656 -6.032 1.00 65.30 H new ATOM 0 HD2 HIS A 75 33.627 -23.612 -4.778 1.00 25.55 H new ATOM 0 HE1 HIS A 75 34.692 -25.999 -1.436 1.00 62.14 H new ATOM 0 HE2 HIS A 75 35.182 -23.844 -2.698 1.00 3.02 H new ATOM 1175 N ILE A 76 30.929 -22.964 -4.731 1.00 73.12 N ATOM 1176 CA ILE A 76 30.892 -21.601 -5.245 1.00 52.35 C ATOM 1177 C ILE A 76 32.291 -21.110 -5.602 1.00 12.42 C ATOM 1178 O ILE A 76 32.845 -20.240 -4.929 1.00 33.01 O ATOM 1179 CB ILE A 76 30.264 -20.632 -4.227 1.00 12.54 C ATOM 1180 CG1 ILE A 76 28.914 -21.167 -3.746 1.00 34.14 C ATOM 1181 CG2 ILE A 76 30.103 -19.249 -4.840 1.00 50.24 C ATOM 1182 CD1 ILE A 76 28.307 -20.355 -2.623 1.00 74.10 C ATOM 0 H ILE A 76 31.481 -23.080 -3.881 1.00 73.12 H new ATOM 0 HA ILE A 76 30.276 -21.620 -6.144 1.00 52.35 H new ATOM 0 HB ILE A 76 30.929 -20.552 -3.367 1.00 12.54 H new ATOM 0 HG12 ILE A 76 28.220 -21.186 -4.586 1.00 34.14 H new ATOM 0 HG13 ILE A 76 29.039 -22.197 -3.412 1.00 34.14 H new ATOM 0 HG21 ILE A 76 29.658 -18.576 -4.107 1.00 50.24 H new ATOM 0 HG22 ILE A 76 31.080 -18.867 -5.137 1.00 50.24 H new ATOM 0 HG23 ILE A 76 29.456 -19.312 -5.715 1.00 50.24 H new ATOM 0 HD11 ILE A 76 27.352 -20.792 -2.333 1.00 74.10 H new ATOM 0 HD12 ILE A 76 28.982 -20.357 -1.767 1.00 74.10 H new ATOM 0 HD13 ILE A 76 28.150 -19.330 -2.959 1.00 74.10 H new ATOM 1194 N ASP A 77 32.856 -21.671 -6.665 1.00 12.01 N ATOM 1195 CA ASP A 77 34.190 -21.288 -7.114 1.00 34.45 C ATOM 1196 C ASP A 77 34.242 -19.803 -7.456 1.00 43.25 C ATOM 1197 O ASP A 77 35.181 -19.100 -7.080 1.00 71.53 O ATOM 1198 CB ASP A 77 34.600 -22.120 -8.330 1.00 21.13 C ATOM 1199 CG ASP A 77 36.006 -21.803 -8.800 1.00 51.02 C ATOM 1200 OD1 ASP A 77 36.885 -21.591 -7.940 1.00 4.13 O ATOM 1201 OD2 ASP A 77 36.226 -21.766 -10.029 1.00 45.11 O ATOM 0 H ASP A 77 32.411 -22.393 -7.232 1.00 12.01 H new ATOM 0 HA ASP A 77 34.890 -21.479 -6.301 1.00 34.45 H new ATOM 0 HB2 ASP A 77 34.533 -23.179 -8.081 1.00 21.13 H new ATOM 0 HB3 ASP A 77 33.898 -21.939 -9.144 1.00 21.13 H new ATOM 1206 N LYS A 78 33.229 -19.330 -8.174 1.00 33.21 N ATOM 1207 CA LYS A 78 33.158 -17.928 -8.568 1.00 70.34 C ATOM 1208 C LYS A 78 31.730 -17.538 -8.935 1.00 12.42 C ATOM 1209 O LYS A 78 31.118 -18.141 -9.816 1.00 41.51 O ATOM 1210 CB LYS A 78 34.090 -17.663 -9.752 1.00 44.25 C ATOM 1211 CG LYS A 78 35.490 -17.241 -9.342 1.00 25.15 C ATOM 1212 CD LYS A 78 36.104 -16.286 -10.351 1.00 62.05 C ATOM 1213 CE LYS A 78 37.594 -16.100 -10.108 1.00 41.44 C ATOM 1214 NZ LYS A 78 38.359 -17.351 -10.367 1.00 0.12 N ATOM 0 H LYS A 78 32.445 -19.898 -8.495 1.00 33.21 H new ATOM 0 HA LYS A 78 33.475 -17.321 -7.720 1.00 70.34 H new ATOM 0 HB2 LYS A 78 34.155 -18.565 -10.361 1.00 44.25 H new ATOM 0 HB3 LYS A 78 33.654 -16.885 -10.379 1.00 44.25 H new ATOM 0 HG2 LYS A 78 35.455 -16.763 -8.363 1.00 25.15 H new ATOM 0 HG3 LYS A 78 36.122 -18.123 -9.244 1.00 25.15 H new ATOM 0 HD2 LYS A 78 35.944 -16.668 -11.359 1.00 62.05 H new ATOM 0 HD3 LYS A 78 35.601 -15.321 -10.292 1.00 62.05 H new ATOM 0 HE2 LYS A 78 37.970 -15.305 -10.751 1.00 41.44 H new ATOM 0 HE3 LYS A 78 37.757 -15.781 -9.078 1.00 41.44 H new ATOM 0 HZ1 LYS A 78 39.363 -17.121 -10.508 1.00 0.12 H new ATOM 0 HZ2 LYS A 78 38.261 -17.992 -9.554 1.00 0.12 H new ATOM 0 HZ3 LYS A 78 37.987 -17.815 -11.220 1.00 0.12 H new ATOM 1228 N ALA A 79 31.205 -16.524 -8.253 1.00 61.35 N ATOM 1229 CA ALA A 79 29.850 -16.051 -8.510 1.00 65.22 C ATOM 1230 C ALA A 79 29.865 -14.675 -9.167 1.00 72.23 C ATOM 1231 O ALA A 79 29.992 -13.656 -8.491 1.00 41.51 O ATOM 1232 CB ALA A 79 29.051 -16.012 -7.216 1.00 41.12 C ATOM 0 H ALA A 79 31.697 -16.015 -7.519 1.00 61.35 H new ATOM 0 HA ALA A 79 29.372 -16.748 -9.198 1.00 65.22 H new ATOM 0 HB1 ALA A 79 28.041 -15.657 -7.422 1.00 41.12 H new ATOM 0 HB2 ALA A 79 29.003 -17.013 -6.788 1.00 41.12 H new ATOM 0 HB3 ALA A 79 29.535 -15.338 -6.510 1.00 41.12 H new ATOM 1238 N ASN A 80 29.734 -14.655 -10.490 1.00 1.22 N ATOM 1239 CA ASN A 80 29.733 -13.403 -11.239 1.00 24.25 C ATOM 1240 C ASN A 80 28.402 -13.199 -11.956 1.00 3.04 C ATOM 1241 O ASN A 80 27.897 -14.105 -12.619 1.00 12.31 O ATOM 1242 CB ASN A 80 30.879 -13.391 -12.253 1.00 10.23 C ATOM 1243 CG ASN A 80 32.241 -13.401 -11.586 1.00 62.33 C ATOM 1244 OD1 ASN A 80 32.926 -14.424 -11.565 1.00 22.01 O ATOM 1245 ND2 ASN A 80 32.640 -12.260 -11.038 1.00 2.40 N ATOM 0 H ASN A 80 29.627 -15.491 -11.065 1.00 1.22 H new ATOM 0 HA ASN A 80 29.873 -12.585 -10.532 1.00 24.25 H new ATOM 0 HB2 ASN A 80 30.791 -14.259 -12.907 1.00 10.23 H new ATOM 0 HB3 ASN A 80 30.793 -12.506 -12.884 1.00 10.23 H new ATOM 0 HD21 ASN A 80 33.548 -12.206 -10.576 1.00 2.40 H new ATOM 0 HD22 ASN A 80 32.039 -11.437 -11.079 1.00 2.40 H new ATOM 1252 N PHE A 81 27.840 -12.003 -11.818 1.00 12.10 N ATOM 1253 CA PHE A 81 26.567 -11.679 -12.452 1.00 62.10 C ATOM 1254 C PHE A 81 26.789 -11.003 -13.802 1.00 34.00 C ATOM 1255 O PHE A 81 27.923 -10.735 -14.195 1.00 61.32 O ATOM 1256 CB PHE A 81 25.737 -10.770 -11.544 1.00 4.45 C ATOM 1257 CG PHE A 81 25.688 -11.233 -10.116 1.00 12.34 C ATOM 1258 CD1 PHE A 81 24.785 -12.206 -9.720 1.00 74.32 C ATOM 1259 CD2 PHE A 81 26.545 -10.695 -9.169 1.00 33.11 C ATOM 1260 CE1 PHE A 81 24.736 -12.634 -8.407 1.00 5.53 C ATOM 1261 CE2 PHE A 81 26.502 -11.119 -7.854 1.00 15.21 C ATOM 1262 CZ PHE A 81 25.597 -12.090 -7.473 1.00 32.13 C ATOM 0 H PHE A 81 28.246 -11.242 -11.273 1.00 12.10 H new ATOM 0 HA PHE A 81 26.024 -12.610 -12.616 1.00 62.10 H new ATOM 0 HB2 PHE A 81 26.150 -9.762 -11.577 1.00 4.45 H new ATOM 0 HB3 PHE A 81 24.721 -10.711 -11.934 1.00 4.45 H new ATOM 0 HD1 PHE A 81 24.111 -12.635 -10.446 1.00 74.32 H new ATOM 0 HD2 PHE A 81 27.255 -9.936 -9.462 1.00 33.11 H new ATOM 0 HE1 PHE A 81 24.026 -13.392 -8.111 1.00 5.53 H new ATOM 0 HE2 PHE A 81 27.175 -10.692 -7.126 1.00 15.21 H new ATOM 0 HZ PHE A 81 25.562 -12.424 -6.446 1.00 32.13 H new ATOM 1272 N ASN A 82 25.695 -10.731 -14.507 1.00 3.40 N ATOM 1273 CA ASN A 82 25.769 -10.087 -15.814 1.00 21.04 C ATOM 1274 C ASN A 82 24.397 -9.580 -16.248 1.00 45.05 C ATOM 1275 O ASN A 82 23.380 -9.914 -15.642 1.00 44.32 O ATOM 1276 CB ASN A 82 26.318 -11.063 -16.856 1.00 23.31 C ATOM 1277 CG ASN A 82 27.041 -10.356 -17.986 1.00 25.22 C ATOM 1278 OD1 ASN A 82 26.640 -10.445 -19.146 1.00 61.03 O ATOM 1279 ND2 ASN A 82 28.114 -9.649 -17.651 1.00 24.14 N ATOM 0 H ASN A 82 24.748 -10.946 -14.196 1.00 3.40 H new ATOM 0 HA ASN A 82 26.443 -9.234 -15.734 1.00 21.04 H new ATOM 0 HB2 ASN A 82 27.001 -11.761 -16.372 1.00 23.31 H new ATOM 0 HB3 ASN A 82 25.498 -11.652 -17.266 1.00 23.31 H new ATOM 0 HD21 ASN A 82 28.642 -9.152 -18.369 1.00 24.14 H new ATOM 0 HD22 ASN A 82 28.410 -9.603 -16.676 1.00 24.14 H new ATOM 1286 N ASN A 83 24.379 -8.772 -17.304 1.00 35.04 N ATOM 1287 CA ASN A 83 23.132 -8.219 -17.820 1.00 40.43 C ATOM 1288 C ASN A 83 22.409 -7.411 -16.746 1.00 71.45 C ATOM 1289 O ASN A 83 21.183 -7.447 -16.651 1.00 13.34 O ATOM 1290 CB ASN A 83 22.224 -9.340 -18.329 1.00 61.11 C ATOM 1291 CG ASN A 83 22.774 -10.009 -19.574 1.00 53.02 C ATOM 1292 OD1 ASN A 83 23.130 -11.187 -19.554 1.00 32.35 O ATOM 1293 ND2 ASN A 83 22.845 -9.257 -20.667 1.00 23.43 N ATOM 0 H ASN A 83 25.212 -8.486 -17.818 1.00 35.04 H new ATOM 0 HA ASN A 83 23.375 -7.553 -18.648 1.00 40.43 H new ATOM 0 HB2 ASN A 83 22.098 -10.086 -17.544 1.00 61.11 H new ATOM 0 HB3 ASN A 83 21.236 -8.934 -18.545 1.00 61.11 H new ATOM 0 HD21 ASN A 83 23.206 -9.652 -21.535 1.00 23.43 H new ATOM 0 HD22 ASN A 83 22.538 -8.285 -20.638 1.00 23.43 H new ATOM 1300 N GLU A 84 23.178 -6.685 -15.942 1.00 10.52 N ATOM 1301 CA GLU A 84 22.610 -5.869 -14.875 1.00 10.21 C ATOM 1302 C GLU A 84 22.198 -4.496 -15.400 1.00 22.41 C ATOM 1303 O GLU A 84 23.044 -3.666 -15.731 1.00 45.30 O ATOM 1304 CB GLU A 84 23.617 -5.709 -13.734 1.00 34.44 C ATOM 1305 CG GLU A 84 23.001 -5.184 -12.448 1.00 12.41 C ATOM 1306 CD GLU A 84 23.864 -5.459 -11.232 1.00 62.22 C ATOM 1307 OE1 GLU A 84 23.860 -6.612 -10.751 1.00 52.22 O ATOM 1308 OE2 GLU A 84 24.544 -4.523 -10.762 1.00 34.22 O ATOM 0 H GLU A 84 24.195 -6.645 -16.009 1.00 10.52 H new ATOM 0 HA GLU A 84 21.722 -6.377 -14.498 1.00 10.21 H new ATOM 0 HB2 GLU A 84 24.085 -6.673 -13.536 1.00 34.44 H new ATOM 0 HB3 GLU A 84 24.408 -5.030 -14.052 1.00 34.44 H new ATOM 0 HG2 GLU A 84 22.840 -4.110 -12.539 1.00 12.41 H new ATOM 0 HG3 GLU A 84 22.022 -5.642 -12.305 1.00 12.41 H new ATOM 1315 N LYS A 85 20.892 -4.265 -15.474 1.00 32.52 N ATOM 1316 CA LYS A 85 20.365 -2.995 -15.957 1.00 41.24 C ATOM 1317 C LYS A 85 18.904 -2.823 -15.555 1.00 10.24 C ATOM 1318 O LYS A 85 18.244 -3.781 -15.152 1.00 12.53 O ATOM 1319 CB LYS A 85 20.499 -2.910 -17.480 1.00 11.15 C ATOM 1320 CG LYS A 85 20.066 -4.175 -18.200 1.00 34.13 C ATOM 1321 CD LYS A 85 19.937 -3.948 -19.697 1.00 22.43 C ATOM 1322 CE LYS A 85 19.145 -5.063 -20.363 1.00 50.31 C ATOM 1323 NZ LYS A 85 18.643 -4.660 -21.706 1.00 12.31 N ATOM 0 H LYS A 85 20.178 -4.942 -15.205 1.00 32.52 H new ATOM 0 HA LYS A 85 20.946 -2.193 -15.501 1.00 41.24 H new ATOM 0 HB2 LYS A 85 19.902 -2.073 -17.843 1.00 11.15 H new ATOM 0 HB3 LYS A 85 21.537 -2.695 -17.734 1.00 11.15 H new ATOM 0 HG2 LYS A 85 20.790 -4.968 -18.012 1.00 34.13 H new ATOM 0 HG3 LYS A 85 19.111 -4.514 -17.799 1.00 34.13 H new ATOM 0 HD2 LYS A 85 19.446 -2.992 -19.880 1.00 22.43 H new ATOM 0 HD3 LYS A 85 20.929 -3.888 -20.144 1.00 22.43 H new ATOM 0 HE2 LYS A 85 19.775 -5.947 -20.461 1.00 50.31 H new ATOM 0 HE3 LYS A 85 18.303 -5.340 -19.728 1.00 50.31 H new ATOM 0 HZ1 LYS A 85 18.109 -5.446 -22.127 1.00 12.31 H new ATOM 0 HZ2 LYS A 85 18.022 -3.831 -21.610 1.00 12.31 H new ATOM 0 HZ3 LYS A 85 19.448 -4.420 -22.320 1.00 12.31 H new ATOM 1337 N VAL A 86 18.404 -1.596 -15.667 1.00 61.25 N ATOM 1338 CA VAL A 86 17.020 -1.299 -15.318 1.00 21.55 C ATOM 1339 C VAL A 86 16.091 -1.531 -16.504 1.00 65.02 C ATOM 1340 O VAL A 86 16.454 -1.263 -17.650 1.00 73.02 O ATOM 1341 CB VAL A 86 16.863 0.154 -14.833 1.00 21.03 C ATOM 1342 CG1 VAL A 86 17.726 0.404 -13.606 1.00 24.05 C ATOM 1343 CG2 VAL A 86 17.212 1.128 -15.948 1.00 24.12 C ATOM 0 H VAL A 86 18.937 -0.792 -15.997 1.00 61.25 H new ATOM 0 HA VAL A 86 16.746 -1.976 -14.509 1.00 21.55 H new ATOM 0 HB VAL A 86 15.822 0.315 -14.554 1.00 21.03 H new ATOM 0 HG11 VAL A 86 17.602 1.436 -13.278 1.00 24.05 H new ATOM 0 HG12 VAL A 86 17.423 -0.270 -12.805 1.00 24.05 H new ATOM 0 HG13 VAL A 86 18.772 0.226 -13.855 1.00 24.05 H new ATOM 0 HG21 VAL A 86 17.096 2.150 -15.588 1.00 24.12 H new ATOM 0 HG22 VAL A 86 18.244 0.969 -16.260 1.00 24.12 H new ATOM 0 HG23 VAL A 86 16.547 0.964 -16.796 1.00 24.12 H new ATOM 1353 N ILE A 87 14.893 -2.030 -16.222 1.00 13.33 N ATOM 1354 CA ILE A 87 13.911 -2.296 -17.266 1.00 2.30 C ATOM 1355 C ILE A 87 12.510 -1.892 -16.819 1.00 61.31 C ATOM 1356 O ILE A 87 12.301 -1.506 -15.668 1.00 53.35 O ATOM 1357 CB ILE A 87 13.902 -3.783 -17.665 1.00 23.35 C ATOM 1358 CG1 ILE A 87 14.159 -4.663 -16.440 1.00 33.55 C ATOM 1359 CG2 ILE A 87 14.943 -4.049 -18.742 1.00 21.22 C ATOM 1360 CD1 ILE A 87 13.135 -4.483 -15.341 1.00 10.23 C ATOM 0 H ILE A 87 14.578 -2.258 -15.279 1.00 13.33 H new ATOM 0 HA ILE A 87 14.200 -1.698 -18.131 1.00 2.30 H new ATOM 0 HB ILE A 87 12.920 -4.030 -18.068 1.00 23.35 H new ATOM 0 HG12 ILE A 87 14.168 -5.708 -16.749 1.00 33.55 H new ATOM 0 HG13 ILE A 87 15.149 -4.439 -16.043 1.00 33.55 H new ATOM 0 HG21 ILE A 87 14.924 -5.105 -19.013 1.00 21.22 H new ATOM 0 HG22 ILE A 87 14.720 -3.444 -19.621 1.00 21.22 H new ATOM 0 HG23 ILE A 87 15.932 -3.789 -18.364 1.00 21.22 H new ATOM 0 HD11 ILE A 87 13.380 -5.138 -14.505 1.00 10.23 H new ATOM 0 HD12 ILE A 87 13.141 -3.446 -15.004 1.00 10.23 H new ATOM 0 HD13 ILE A 87 12.145 -4.735 -15.721 1.00 10.23 H new ATOM 1372 N LEU A 88 11.553 -1.986 -17.736 1.00 20.35 N ATOM 1373 CA LEU A 88 10.170 -1.633 -17.436 1.00 73.10 C ATOM 1374 C LEU A 88 9.633 -2.467 -16.277 1.00 62.42 C ATOM 1375 O LEU A 88 9.442 -1.963 -15.171 1.00 13.43 O ATOM 1376 CB LEU A 88 9.292 -1.834 -18.673 1.00 2.42 C ATOM 1377 CG LEU A 88 9.257 -0.672 -19.666 1.00 51.33 C ATOM 1378 CD1 LEU A 88 8.672 0.571 -19.014 1.00 13.03 C ATOM 1379 CD2 LEU A 88 10.652 -0.387 -20.204 1.00 72.30 C ATOM 0 H LEU A 88 11.709 -2.303 -18.693 1.00 20.35 H new ATOM 0 HA LEU A 88 10.144 -0.583 -17.146 1.00 73.10 H new ATOM 0 HB2 LEU A 88 9.637 -2.725 -19.198 1.00 2.42 H new ATOM 0 HB3 LEU A 88 8.273 -2.034 -18.342 1.00 2.42 H new ATOM 0 HG LEU A 88 8.617 -0.954 -20.502 1.00 51.33 H new ATOM 0 HD11 LEU A 88 8.655 1.387 -19.736 1.00 13.03 H new ATOM 0 HD12 LEU A 88 7.656 0.362 -18.679 1.00 13.03 H new ATOM 0 HD13 LEU A 88 9.285 0.856 -18.159 1.00 13.03 H new ATOM 0 HD21 LEU A 88 10.607 0.443 -20.909 1.00 72.30 H new ATOM 0 HD22 LEU A 88 11.314 -0.126 -19.378 1.00 72.30 H new ATOM 0 HD23 LEU A 88 11.035 -1.273 -20.710 1.00 72.30 H new ATOM 1391 N LYS A 89 9.394 -3.748 -16.538 1.00 63.20 N ATOM 1392 CA LYS A 89 8.883 -4.655 -15.517 1.00 25.00 C ATOM 1393 C LYS A 89 9.424 -6.066 -15.723 1.00 23.31 C ATOM 1394 O LYS A 89 10.247 -6.304 -16.608 1.00 5.21 O ATOM 1395 CB LYS A 89 7.353 -4.675 -15.543 1.00 5.04 C ATOM 1396 CG LYS A 89 6.721 -3.367 -15.101 1.00 14.14 C ATOM 1397 CD LYS A 89 5.203 -3.446 -15.123 1.00 4.13 C ATOM 1398 CE LYS A 89 4.583 -2.543 -14.068 1.00 32.15 C ATOM 1399 NZ LYS A 89 4.489 -3.220 -12.744 1.00 51.33 N ATOM 0 H LYS A 89 9.546 -4.182 -17.449 1.00 63.20 H new ATOM 0 HA LYS A 89 9.219 -4.294 -14.545 1.00 25.00 H new ATOM 0 HB2 LYS A 89 7.018 -4.908 -16.554 1.00 5.04 H new ATOM 0 HB3 LYS A 89 6.997 -5.478 -14.897 1.00 5.04 H new ATOM 0 HG2 LYS A 89 7.059 -3.120 -14.094 1.00 14.14 H new ATOM 0 HG3 LYS A 89 7.054 -2.561 -15.755 1.00 14.14 H new ATOM 0 HD2 LYS A 89 4.837 -3.160 -16.109 1.00 4.13 H new ATOM 0 HD3 LYS A 89 4.889 -4.476 -14.953 1.00 4.13 H new ATOM 0 HE2 LYS A 89 5.179 -1.636 -13.971 1.00 32.15 H new ATOM 0 HE3 LYS A 89 3.588 -2.237 -14.391 1.00 32.15 H new ATOM 0 HZ1 LYS A 89 4.061 -2.572 -12.052 1.00 51.33 H new ATOM 0 HZ2 LYS A 89 3.899 -4.072 -12.831 1.00 51.33 H new ATOM 0 HZ3 LYS A 89 5.441 -3.489 -12.423 1.00 51.33 H new ATOM 1413 N LEU A 90 8.956 -7.000 -14.902 1.00 41.10 N ATOM 1414 CA LEU A 90 9.392 -8.389 -14.995 1.00 73.13 C ATOM 1415 C LEU A 90 9.246 -8.911 -16.421 1.00 44.22 C ATOM 1416 O LEU A 90 8.633 -8.263 -17.270 1.00 64.42 O ATOM 1417 CB LEU A 90 8.583 -9.263 -14.035 1.00 71.33 C ATOM 1418 CG LEU A 90 8.449 -8.742 -12.604 1.00 55.12 C ATOM 1419 CD1 LEU A 90 7.648 -9.717 -11.754 1.00 4.51 C ATOM 1420 CD2 LEU A 90 9.821 -8.501 -11.993 1.00 42.23 C ATOM 0 H LEU A 90 8.275 -6.821 -14.164 1.00 41.10 H new ATOM 0 HA LEU A 90 10.445 -8.433 -14.717 1.00 73.13 H new ATOM 0 HB2 LEU A 90 7.583 -9.392 -14.448 1.00 71.33 H new ATOM 0 HB3 LEU A 90 9.043 -10.250 -13.999 1.00 71.33 H new ATOM 0 HG LEU A 90 7.915 -7.792 -12.632 1.00 55.12 H new ATOM 0 HD11 LEU A 90 7.563 -9.330 -10.739 1.00 4.51 H new ATOM 0 HD12 LEU A 90 6.652 -9.839 -12.181 1.00 4.51 H new ATOM 0 HD13 LEU A 90 8.154 -10.682 -11.733 1.00 4.51 H new ATOM 0 HD21 LEU A 90 9.706 -8.130 -10.974 1.00 42.23 H new ATOM 0 HD22 LEU A 90 10.382 -9.436 -11.978 1.00 42.23 H new ATOM 0 HD23 LEU A 90 10.360 -7.764 -12.588 1.00 42.23 H new ATOM 1432 N ASP A 91 9.812 -10.085 -16.676 1.00 62.33 N ATOM 1433 CA ASP A 91 9.743 -10.696 -17.999 1.00 20.13 C ATOM 1434 C ASP A 91 8.911 -11.975 -17.964 1.00 5.41 C ATOM 1435 O ASP A 91 8.292 -12.351 -18.959 1.00 34.32 O ATOM 1436 CB ASP A 91 11.149 -11.002 -18.517 1.00 42.50 C ATOM 1437 CG ASP A 91 11.193 -11.136 -20.026 1.00 62.44 C ATOM 1438 OD1 ASP A 91 10.399 -10.453 -20.707 1.00 23.30 O ATOM 1439 OD2 ASP A 91 12.022 -11.924 -20.527 1.00 61.53 O ATOM 0 H ASP A 91 10.324 -10.633 -15.985 1.00 62.33 H new ATOM 0 HA ASP A 91 9.262 -9.989 -18.674 1.00 20.13 H new ATOM 0 HB2 ASP A 91 11.828 -10.209 -18.206 1.00 42.50 H new ATOM 0 HB3 ASP A 91 11.508 -11.926 -18.062 1.00 42.50 H new ATOM 1444 N TYR A 92 8.904 -12.638 -16.813 1.00 71.01 N ATOM 1445 CA TYR A 92 8.152 -13.876 -16.650 1.00 33.33 C ATOM 1446 C TYR A 92 6.920 -13.654 -15.777 1.00 72.34 C ATOM 1447 O TYR A 92 6.836 -12.672 -15.040 1.00 61.03 O ATOM 1448 CB TYR A 92 9.039 -14.959 -16.033 1.00 12.13 C ATOM 1449 CG TYR A 92 9.799 -15.773 -17.054 1.00 65.44 C ATOM 1450 CD1 TYR A 92 10.416 -15.162 -18.139 1.00 64.12 C ATOM 1451 CD2 TYR A 92 9.901 -17.154 -16.936 1.00 15.00 C ATOM 1452 CE1 TYR A 92 11.112 -15.902 -19.076 1.00 31.23 C ATOM 1453 CE2 TYR A 92 10.595 -17.902 -17.867 1.00 2.22 C ATOM 1454 CZ TYR A 92 11.199 -17.272 -18.935 1.00 11.51 C ATOM 1455 OH TYR A 92 11.891 -18.013 -19.865 1.00 74.10 O ATOM 0 H TYR A 92 9.410 -12.339 -15.980 1.00 71.01 H new ATOM 0 HA TYR A 92 7.823 -14.204 -17.636 1.00 33.33 H new ATOM 0 HB2 TYR A 92 9.750 -14.490 -15.352 1.00 12.13 H new ATOM 0 HB3 TYR A 92 8.419 -15.628 -15.436 1.00 12.13 H new ATOM 0 HD1 TYR A 92 10.350 -14.090 -18.252 1.00 64.12 H new ATOM 0 HD2 TYR A 92 9.429 -17.651 -16.101 1.00 15.00 H new ATOM 0 HE1 TYR A 92 11.585 -15.411 -19.914 1.00 31.23 H new ATOM 0 HE2 TYR A 92 10.664 -18.974 -17.759 1.00 2.22 H new ATOM 0 HH TYR A 92 11.857 -18.961 -19.619 1.00 74.10 H new ATOM 1465 N SER A 93 5.966 -14.575 -15.867 1.00 74.21 N ATOM 1466 CA SER A 93 4.736 -14.480 -15.089 1.00 71.02 C ATOM 1467 C SER A 93 4.786 -15.407 -13.878 1.00 51.23 C ATOM 1468 O SER A 93 4.111 -15.173 -12.876 1.00 34.43 O ATOM 1469 CB SER A 93 3.528 -14.827 -15.961 1.00 54.43 C ATOM 1470 OG SER A 93 2.334 -14.836 -15.198 1.00 73.21 O ATOM 0 H SER A 93 6.021 -15.395 -16.471 1.00 74.21 H new ATOM 0 HA SER A 93 4.637 -13.454 -14.735 1.00 71.02 H new ATOM 0 HB2 SER A 93 3.440 -14.103 -16.771 1.00 54.43 H new ATOM 0 HB3 SER A 93 3.676 -15.804 -16.421 1.00 54.43 H new ATOM 0 HG SER A 93 1.577 -15.059 -15.778 1.00 73.21 H new ATOM 1476 N ASP A 94 5.591 -16.459 -13.980 1.00 14.15 N ATOM 1477 CA ASP A 94 5.731 -17.422 -12.893 1.00 51.42 C ATOM 1478 C ASP A 94 6.999 -18.252 -13.063 1.00 43.22 C ATOM 1479 O ASP A 94 7.429 -18.525 -14.184 1.00 63.11 O ATOM 1480 CB ASP A 94 4.509 -18.340 -12.836 1.00 41.11 C ATOM 1481 CG ASP A 94 4.371 -19.038 -11.497 1.00 44.32 C ATOM 1482 OD1 ASP A 94 5.003 -20.099 -11.313 1.00 62.32 O ATOM 1483 OD2 ASP A 94 3.632 -18.522 -10.633 1.00 44.31 O ATOM 0 H ASP A 94 6.156 -16.667 -14.803 1.00 14.15 H new ATOM 0 HA ASP A 94 5.804 -16.868 -11.957 1.00 51.42 H new ATOM 0 HB2 ASP A 94 3.610 -17.756 -13.032 1.00 41.11 H new ATOM 0 HB3 ASP A 94 4.582 -19.087 -13.626 1.00 41.11 H new ATOM 1488 N PHE A 95 7.595 -18.650 -11.944 1.00 14.54 N ATOM 1489 CA PHE A 95 8.815 -19.447 -11.968 1.00 43.15 C ATOM 1490 C PHE A 95 8.646 -20.672 -12.862 1.00 22.54 C ATOM 1491 O PHE A 95 7.609 -21.334 -12.834 1.00 70.12 O ATOM 1492 CB PHE A 95 9.194 -19.883 -10.552 1.00 11.25 C ATOM 1493 CG PHE A 95 8.037 -20.426 -9.762 1.00 41.31 C ATOM 1494 CD1 PHE A 95 7.593 -21.723 -9.962 1.00 50.10 C ATOM 1495 CD2 PHE A 95 7.394 -19.639 -8.820 1.00 23.21 C ATOM 1496 CE1 PHE A 95 6.528 -22.224 -9.238 1.00 23.55 C ATOM 1497 CE2 PHE A 95 6.329 -20.136 -8.092 1.00 2.50 C ATOM 1498 CZ PHE A 95 5.896 -21.430 -8.301 1.00 24.35 C ATOM 0 H PHE A 95 7.252 -18.433 -11.008 1.00 14.54 H new ATOM 0 HA PHE A 95 9.615 -18.829 -12.375 1.00 43.15 H new ATOM 0 HB2 PHE A 95 9.972 -20.644 -10.611 1.00 11.25 H new ATOM 0 HB3 PHE A 95 9.619 -19.032 -10.020 1.00 11.25 H new ATOM 0 HD1 PHE A 95 8.085 -22.349 -10.692 1.00 50.10 H new ATOM 0 HD2 PHE A 95 7.729 -18.626 -8.653 1.00 23.21 H new ATOM 0 HE1 PHE A 95 6.190 -23.236 -9.405 1.00 23.55 H new ATOM 0 HE2 PHE A 95 5.836 -19.513 -7.361 1.00 2.50 H new ATOM 0 HZ PHE A 95 5.065 -21.821 -7.733 1.00 24.35 H new ATOM 1508 N GLN A 96 9.673 -20.967 -13.652 1.00 61.23 N ATOM 1509 CA GLN A 96 9.638 -22.112 -14.555 1.00 32.03 C ATOM 1510 C GLN A 96 11.047 -22.608 -14.860 1.00 63.11 C ATOM 1511 O GLN A 96 11.896 -21.847 -15.326 1.00 30.21 O ATOM 1512 CB GLN A 96 8.922 -21.742 -15.855 1.00 12.33 C ATOM 1513 CG GLN A 96 7.412 -21.641 -15.710 1.00 51.22 C ATOM 1514 CD GLN A 96 6.792 -22.911 -15.162 1.00 10.13 C ATOM 1515 OE1 GLN A 96 7.235 -24.017 -15.474 1.00 53.42 O ATOM 1516 NE2 GLN A 96 5.761 -22.759 -14.339 1.00 21.14 N ATOM 0 H GLN A 96 10.539 -20.430 -13.685 1.00 61.23 H new ATOM 0 HA GLN A 96 9.089 -22.914 -14.062 1.00 32.03 H new ATOM 0 HB2 GLN A 96 9.309 -20.788 -16.214 1.00 12.33 H new ATOM 0 HB3 GLN A 96 9.157 -22.488 -16.614 1.00 12.33 H new ATOM 0 HG2 GLN A 96 7.169 -20.808 -15.050 1.00 51.22 H new ATOM 0 HG3 GLN A 96 6.972 -21.416 -16.681 1.00 51.22 H new ATOM 0 HE21 GLN A 96 5.427 -21.824 -14.108 1.00 21.14 H new ATOM 0 HE22 GLN A 96 5.303 -23.578 -13.938 1.00 21.14 H new ATOM 1525 N ILE A 97 11.289 -23.887 -14.594 1.00 65.24 N ATOM 1526 CA ILE A 97 12.596 -24.484 -14.842 1.00 30.23 C ATOM 1527 C ILE A 97 12.744 -24.898 -16.302 1.00 33.31 C ATOM 1528 O ILE A 97 11.916 -25.638 -16.836 1.00 4.54 O ATOM 1529 CB ILE A 97 12.832 -25.714 -13.945 1.00 1.32 C ATOM 1530 CG1 ILE A 97 12.733 -25.322 -12.469 1.00 21.20 C ATOM 1531 CG2 ILE A 97 14.188 -26.335 -14.244 1.00 3.12 C ATOM 1532 CD1 ILE A 97 13.802 -24.346 -12.030 1.00 13.40 C ATOM 0 H ILE A 97 10.598 -24.530 -14.207 1.00 65.24 H new ATOM 0 HA ILE A 97 13.340 -23.723 -14.606 1.00 30.23 H new ATOM 0 HB ILE A 97 12.061 -26.454 -14.158 1.00 1.32 H new ATOM 0 HG12 ILE A 97 11.753 -24.883 -12.283 1.00 21.20 H new ATOM 0 HG13 ILE A 97 12.800 -26.222 -11.857 1.00 21.20 H new ATOM 0 HG21 ILE A 97 14.340 -27.203 -13.602 1.00 3.12 H new ATOM 0 HG22 ILE A 97 14.224 -26.645 -15.288 1.00 3.12 H new ATOM 0 HG23 ILE A 97 14.973 -25.603 -14.056 1.00 3.12 H new ATOM 0 HD11 ILE A 97 13.670 -24.113 -10.973 1.00 13.40 H new ATOM 0 HD12 ILE A 97 14.785 -24.790 -12.184 1.00 13.40 H new ATOM 0 HD13 ILE A 97 13.722 -23.431 -12.616 1.00 13.40 H new ATOM 1544 N VAL A 98 13.804 -24.418 -16.943 1.00 44.02 N ATOM 1545 CA VAL A 98 14.063 -24.740 -18.341 1.00 60.34 C ATOM 1546 C VAL A 98 15.029 -25.913 -18.465 1.00 71.34 C ATOM 1547 O VAL A 98 16.117 -25.899 -17.890 1.00 65.43 O ATOM 1548 CB VAL A 98 14.642 -23.530 -19.098 1.00 62.44 C ATOM 1549 CG1 VAL A 98 14.937 -23.897 -20.545 1.00 52.41 C ATOM 1550 CG2 VAL A 98 13.688 -22.348 -19.023 1.00 34.42 C ATOM 0 H VAL A 98 14.498 -23.804 -16.516 1.00 44.02 H new ATOM 0 HA VAL A 98 13.106 -25.013 -18.785 1.00 60.34 H new ATOM 0 HB VAL A 98 15.579 -23.241 -18.623 1.00 62.44 H new ATOM 0 HG11 VAL A 98 15.345 -23.030 -21.064 1.00 52.41 H new ATOM 0 HG12 VAL A 98 15.661 -24.711 -20.573 1.00 52.41 H new ATOM 0 HG13 VAL A 98 14.016 -24.213 -21.035 1.00 52.41 H new ATOM 0 HG21 VAL A 98 14.113 -21.502 -19.563 1.00 34.42 H new ATOM 0 HG22 VAL A 98 12.733 -22.622 -19.472 1.00 34.42 H new ATOM 0 HG23 VAL A 98 13.533 -22.071 -17.980 1.00 34.42 H new ATOM 1560 N LYS A 99 14.624 -26.929 -19.220 1.00 52.25 N ATOM 1561 CA LYS A 99 15.453 -28.111 -19.423 1.00 1.11 C ATOM 1562 C LYS A 99 16.492 -27.867 -20.513 1.00 55.22 C ATOM 1563 O LYS A 99 16.221 -28.067 -21.698 1.00 11.54 O ATOM 1564 CB LYS A 99 14.582 -29.313 -19.794 1.00 33.14 C ATOM 1565 CG LYS A 99 15.223 -30.652 -19.470 1.00 54.41 C ATOM 1566 CD LYS A 99 14.179 -31.742 -19.295 1.00 12.35 C ATOM 1567 CE LYS A 99 13.643 -31.777 -17.871 1.00 42.43 C ATOM 1568 NZ LYS A 99 12.459 -30.889 -17.702 1.00 62.44 N ATOM 0 H LYS A 99 13.725 -26.957 -19.702 1.00 52.25 H new ATOM 0 HA LYS A 99 15.974 -28.322 -18.489 1.00 1.11 H new ATOM 0 HB2 LYS A 99 13.631 -29.238 -19.267 1.00 33.14 H new ATOM 0 HB3 LYS A 99 14.360 -29.275 -20.860 1.00 33.14 H new ATOM 0 HG2 LYS A 99 15.910 -30.930 -20.269 1.00 54.41 H new ATOM 0 HG3 LYS A 99 15.813 -30.563 -18.558 1.00 54.41 H new ATOM 0 HD2 LYS A 99 13.357 -31.575 -19.990 1.00 12.35 H new ATOM 0 HD3 LYS A 99 14.616 -32.709 -19.544 1.00 12.35 H new ATOM 0 HE2 LYS A 99 13.370 -32.800 -17.611 1.00 42.43 H new ATOM 0 HE3 LYS A 99 14.428 -31.471 -17.180 1.00 42.43 H new ATOM 0 HZ1 LYS A 99 11.697 -31.413 -17.225 1.00 62.44 H new ATOM 0 HZ2 LYS A 99 12.723 -30.063 -17.127 1.00 62.44 H new ATOM 0 HZ3 LYS A 99 12.128 -30.570 -18.635 1.00 62.44 H new