USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 832 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 55 THR OG1 : rot -152:sc= -6.11! USER MOD Set 1.2: A 57 GLN : amide:sc= -2.15 K(o=-8.3,f=-14!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=-0.28,f=-0.22) USER MOD Set 2.2: A 32 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.047) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= -0.0177 USER MOD Set 3.2: A 14 HIS : no HD1:sc= -13! C(o=-13!,f=-17!) USER MOD Single : A 1 VAL N :NH3+ -154:sc= -0.167 (180deg=-1.39!) USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= -0.444 (180deg=-1.37) USER MOD Single : A 4 GLN : amide:sc= -0.383 K(o=-0.38,f=-3.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.168 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= -1.18 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc= -0.647 USER MOD Single : A 28 THR OG1 : rot 86:sc= 0.204 USER MOD Single : A 29 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 30 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -80:sc= -3.37! USER MOD Single : A 40 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0022) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0902 USER MOD Single : A 46 SER OG : rot 51:sc= 0.0455 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-5.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 67 SER OG : rot -60:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.262 K(o=-0.26,f=-3.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 21:sc= 0.169! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.185) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 150:sc= -3.78! USER MOD Single : A 80 SER OG : rot 37:sc= 1 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.6!) USER MOD Single : A 84 ASN : amide:sc= -0.829 K(o=-0.83,f=-0.24) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00349 USER MOD Single : A 98 SER OG : rot -95:sc= -1.21! USER MOD Single : A 99 SER OG : rot 102:sc= -0.0925 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 101 SER OG : rot 108:sc= -0.128! USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 104 SER OG : rot 180:sc= -1.77! USER MOD Single : A 107 ASN : amide:sc= -1.92! C(o=-1.9!,f=-2.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.863! USER MOD Single : A 110 LYS NZ :NH3+ -149:sc=-0.000611 (180deg=-0.921) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -23.416 -16.860 -1.914 1.00 0.00 N ATOM 2 CA VAL A 1 -23.242 -15.401 -1.661 1.00 0.00 C ATOM 3 C VAL A 1 -23.620 -14.602 -2.909 1.00 0.00 C ATOM 4 O VAL A 1 -22.773 -14.072 -3.600 1.00 0.00 O ATOM 5 CB VAL A 1 -21.757 -15.228 -1.344 1.00 0.00 C ATOM 6 CG1 VAL A 1 -21.473 -13.762 -1.014 1.00 0.00 C ATOM 7 CG2 VAL A 1 -21.387 -16.101 -0.143 1.00 0.00 C ATOM 0 H1 VAL A 1 -23.593 -17.350 -1.014 1.00 0.00 H new ATOM 0 H2 VAL A 1 -24.223 -17.008 -2.553 1.00 0.00 H new ATOM 0 H3 VAL A 1 -22.553 -17.242 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 1 -23.876 -15.043 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 1 -21.164 -15.527 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -20.414 -13.639 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -21.737 -13.139 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -22.066 -13.462 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -20.328 -15.978 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -21.980 -15.801 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -21.589 -17.146 -0.377 1.00 0.00 H new ATOM 19 N LYS A 2 -24.887 -14.512 -3.204 1.00 0.00 N ATOM 20 CA LYS A 2 -25.319 -13.749 -4.411 1.00 0.00 C ATOM 21 C LYS A 2 -25.591 -12.285 -4.049 1.00 0.00 C ATOM 22 O LYS A 2 -25.626 -11.913 -2.893 1.00 0.00 O ATOM 23 CB LYS A 2 -26.605 -14.434 -4.879 1.00 0.00 C ATOM 24 CG LYS A 2 -27.586 -14.541 -3.708 1.00 0.00 C ATOM 25 CD LYS A 2 -27.814 -16.014 -3.363 1.00 0.00 C ATOM 26 CE LYS A 2 -28.963 -16.565 -4.209 1.00 0.00 C ATOM 27 NZ LYS A 2 -28.321 -17.039 -5.466 1.00 0.00 N ATOM 0 H LYS A 2 -25.642 -14.933 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.554 -13.745 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -27.056 -13.866 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -26.379 -15.426 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -27.192 -14.011 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -28.532 -14.067 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -26.905 -16.587 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -28.046 -16.118 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -29.476 -17.379 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -29.708 -15.796 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -28.926 -17.755 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -28.194 -16.236 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -27.394 -17.457 -5.246 1.00 0.00 H new ATOM 41 N CYS A 3 -25.788 -11.455 -5.037 1.00 0.00 N ATOM 42 CA CYS A 3 -26.064 -10.013 -4.774 1.00 0.00 C ATOM 43 C CYS A 3 -27.364 -9.607 -5.467 1.00 0.00 C ATOM 44 O CYS A 3 -27.655 -10.043 -6.561 1.00 0.00 O ATOM 45 CB CYS A 3 -24.878 -9.265 -5.385 1.00 0.00 C ATOM 46 SG CYS A 3 -23.660 -8.886 -4.101 1.00 0.00 S ATOM 0 H CYS A 3 -25.769 -11.716 -6.023 1.00 0.00 H new ATOM 0 HA CYS A 3 -26.177 -9.794 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -24.419 -9.870 -6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -25.221 -8.344 -5.856 1.00 0.00 H new ATOM 51 N GLN A 4 -28.148 -8.775 -4.847 1.00 0.00 N ATOM 52 CA GLN A 4 -29.422 -8.348 -5.489 1.00 0.00 C ATOM 53 C GLN A 4 -29.354 -6.864 -5.836 1.00 0.00 C ATOM 54 O GLN A 4 -28.395 -6.186 -5.523 1.00 0.00 O ATOM 55 CB GLN A 4 -30.508 -8.608 -4.447 1.00 0.00 C ATOM 56 CG GLN A 4 -30.682 -10.117 -4.261 1.00 0.00 C ATOM 57 CD GLN A 4 -30.305 -10.506 -2.831 1.00 0.00 C ATOM 58 OE1 GLN A 4 -29.883 -9.673 -2.053 1.00 0.00 O ATOM 59 NE2 GLN A 4 -30.442 -11.746 -2.448 1.00 0.00 N ATOM 0 H GLN A 4 -27.965 -8.373 -3.928 1.00 0.00 H new ATOM 0 HA GLN A 4 -29.620 -8.887 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -30.237 -8.142 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -31.449 -8.159 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -31.714 -10.402 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -30.056 -10.656 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -30.796 -12.445 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -30.195 -12.016 -1.496 1.00 0.00 H new ATOM 68 N SER A 5 -30.361 -6.353 -6.480 1.00 0.00 N ATOM 69 CA SER A 5 -30.348 -4.910 -6.846 1.00 0.00 C ATOM 70 C SER A 5 -30.113 -4.062 -5.595 1.00 0.00 C ATOM 71 O SER A 5 -30.622 -4.365 -4.534 1.00 0.00 O ATOM 72 CB SER A 5 -31.728 -4.632 -7.441 1.00 0.00 C ATOM 73 OG SER A 5 -32.558 -4.042 -6.450 1.00 0.00 O ATOM 0 H SER A 5 -31.192 -6.869 -6.769 1.00 0.00 H new ATOM 0 HA SER A 5 -29.554 -4.666 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.639 -3.967 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.175 -5.559 -7.801 1.00 0.00 H new ATOM 0 HG SER A 5 -33.443 -3.861 -6.830 1.00 0.00 H new ATOM 79 N PRO A 6 -29.336 -3.031 -5.762 1.00 0.00 N ATOM 80 CA PRO A 6 -29.011 -2.129 -4.631 1.00 0.00 C ATOM 81 C PRO A 6 -30.229 -1.288 -4.242 1.00 0.00 C ATOM 82 O PRO A 6 -31.085 -1.021 -5.058 1.00 0.00 O ATOM 83 CB PRO A 6 -27.899 -1.248 -5.190 1.00 0.00 C ATOM 84 CG PRO A 6 -28.099 -1.264 -6.668 1.00 0.00 C ATOM 85 CD PRO A 6 -28.690 -2.608 -7.009 1.00 0.00 C ATOM 0 HA PRO A 6 -28.716 -2.664 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -27.962 -0.234 -4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -26.916 -1.635 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -28.765 -0.458 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -27.153 -1.114 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -29.407 -2.534 -7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -27.922 -3.315 -7.322 1.00 0.00 H new ATOM 93 N PRO A 7 -30.260 -0.891 -2.999 1.00 0.00 N ATOM 94 CA PRO A 7 -31.382 -0.063 -2.495 1.00 0.00 C ATOM 95 C PRO A 7 -31.262 1.365 -3.033 1.00 0.00 C ATOM 96 O PRO A 7 -30.280 1.723 -3.654 1.00 0.00 O ATOM 97 CB PRO A 7 -31.194 -0.088 -0.982 1.00 0.00 C ATOM 98 CG PRO A 7 -29.736 -0.357 -0.778 1.00 0.00 C ATOM 99 CD PRO A 7 -29.268 -1.174 -1.956 1.00 0.00 C ATOM 0 HA PRO A 7 -32.362 -0.429 -2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -31.487 0.860 -0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -31.807 -0.863 -0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -29.178 0.577 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -29.570 -0.896 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -28.265 -0.884 -2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -29.233 -2.237 -1.716 1.00 0.00 H new ATOM 107 N SER A 8 -32.247 2.184 -2.796 1.00 0.00 N ATOM 108 CA SER A 8 -32.176 3.588 -3.293 1.00 0.00 C ATOM 109 C SER A 8 -31.112 4.362 -2.517 1.00 0.00 C ATOM 110 O SER A 8 -30.505 3.852 -1.596 1.00 0.00 O ATOM 111 CB SER A 8 -33.561 4.175 -3.034 1.00 0.00 C ATOM 112 OG SER A 8 -34.166 3.491 -1.944 1.00 0.00 O ATOM 0 H SER A 8 -33.095 1.945 -2.282 1.00 0.00 H new ATOM 0 HA SER A 8 -31.906 3.641 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 8 -33.482 5.239 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 8 -34.181 4.081 -3.926 1.00 0.00 H new ATOM 0 HG SER A 8 -35.055 3.867 -1.775 1.00 0.00 H new ATOM 118 N ILE A 9 -30.879 5.589 -2.883 1.00 0.00 N ATOM 119 CA ILE A 9 -29.848 6.394 -2.165 1.00 0.00 C ATOM 120 C ILE A 9 -30.268 7.843 -2.042 1.00 0.00 C ATOM 121 O ILE A 9 -31.395 8.215 -2.304 1.00 0.00 O ATOM 122 CB ILE A 9 -28.556 6.312 -2.983 1.00 0.00 C ATOM 123 CG1 ILE A 9 -28.847 6.127 -4.480 1.00 0.00 C ATOM 124 CG2 ILE A 9 -27.728 5.148 -2.468 1.00 0.00 C ATOM 125 CD1 ILE A 9 -28.130 7.224 -5.266 1.00 0.00 C ATOM 0 H ILE A 9 -31.355 6.071 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 9 -29.713 6.001 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 9 -28.008 7.248 -2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -28.509 5.145 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -29.920 6.173 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -26.804 5.077 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -27.491 5.307 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -28.294 4.223 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -28.331 7.100 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -28.490 8.200 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -27.057 7.156 -5.089 1.00 0.00 H new ATOM 137 N SER A 10 -29.352 8.657 -1.623 1.00 0.00 N ATOM 138 CA SER A 10 -29.654 10.094 -1.450 1.00 0.00 C ATOM 139 C SER A 10 -30.397 10.641 -2.671 1.00 0.00 C ATOM 140 O SER A 10 -29.794 11.055 -3.641 1.00 0.00 O ATOM 141 CB SER A 10 -28.295 10.774 -1.291 1.00 0.00 C ATOM 142 OG SER A 10 -28.202 11.340 0.009 1.00 0.00 O ATOM 0 H SER A 10 -28.397 8.385 -1.391 1.00 0.00 H new ATOM 0 HA SER A 10 -30.299 10.274 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 10 -27.494 10.051 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 10 -28.173 11.549 -2.047 1.00 0.00 H new ATOM 0 HG SER A 10 -27.330 11.776 0.115 1.00 0.00 H new ATOM 148 N ASN A 11 -31.702 10.651 -2.631 1.00 0.00 N ATOM 149 CA ASN A 11 -32.483 11.176 -3.788 1.00 0.00 C ATOM 150 C ASN A 11 -31.874 10.692 -5.108 1.00 0.00 C ATOM 151 O ASN A 11 -31.579 11.474 -5.989 1.00 0.00 O ATOM 152 CB ASN A 11 -32.377 12.697 -3.676 1.00 0.00 C ATOM 153 CG ASN A 11 -33.658 13.251 -3.052 1.00 0.00 C ATOM 154 OD1 ASN A 11 -34.653 13.422 -3.728 1.00 0.00 O ATOM 155 ND2 ASN A 11 -33.676 13.540 -1.780 1.00 0.00 N ATOM 0 H ASN A 11 -32.262 10.318 -1.846 1.00 0.00 H new ATOM 0 HA ASN A 11 -33.518 10.834 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -31.515 12.969 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -32.221 13.135 -4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -34.525 13.910 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -32.841 13.396 -1.213 1.00 0.00 H new ATOM 162 N GLY A 12 -31.686 9.410 -5.250 1.00 0.00 N ATOM 163 CA GLY A 12 -31.097 8.881 -6.513 1.00 0.00 C ATOM 164 C GLY A 12 -31.511 7.421 -6.698 1.00 0.00 C ATOM 165 O GLY A 12 -31.766 6.713 -5.744 1.00 0.00 O ATOM 0 H GLY A 12 -31.914 8.706 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -31.435 9.476 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -30.010 8.960 -6.481 1.00 0.00 H new ATOM 169 N ARG A 13 -31.578 6.963 -7.918 1.00 0.00 N ATOM 170 CA ARG A 13 -31.974 5.546 -8.161 1.00 0.00 C ATOM 171 C ARG A 13 -30.746 4.674 -8.375 1.00 0.00 C ATOM 172 O ARG A 13 -29.624 5.069 -8.127 1.00 0.00 O ATOM 173 CB ARG A 13 -32.821 5.567 -9.431 1.00 0.00 C ATOM 174 CG ARG A 13 -34.178 4.924 -9.148 1.00 0.00 C ATOM 175 CD ARG A 13 -35.115 5.962 -8.530 1.00 0.00 C ATOM 176 NE ARG A 13 -36.196 5.167 -7.887 1.00 0.00 N ATOM 177 CZ ARG A 13 -37.391 5.146 -8.409 1.00 0.00 C ATOM 178 NH1 ARG A 13 -37.549 4.843 -9.669 1.00 0.00 N ATOM 179 NH2 ARG A 13 -38.429 5.432 -7.673 1.00 0.00 N ATOM 0 H ARG A 13 -31.376 7.508 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 13 -32.518 5.135 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -32.957 6.593 -9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -32.311 5.029 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -34.607 4.535 -10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -34.058 4.078 -8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -34.593 6.581 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -35.516 6.633 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 13 -36.002 4.638 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -36.737 4.622 -10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -38.484 4.827 -10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -38.306 5.672 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -39.364 5.416 -8.081 1.00 0.00 H new ATOM 193 N HIS A 14 -30.971 3.485 -8.835 1.00 0.00 N ATOM 194 CA HIS A 14 -29.843 2.542 -9.081 1.00 0.00 C ATOM 195 C HIS A 14 -30.220 1.541 -10.180 1.00 0.00 C ATOM 196 O HIS A 14 -31.093 0.713 -10.013 1.00 0.00 O ATOM 197 CB HIS A 14 -29.625 1.836 -7.743 1.00 0.00 C ATOM 198 CG HIS A 14 -30.715 0.829 -7.505 1.00 0.00 C ATOM 199 ND1 HIS A 14 -30.610 -0.479 -7.941 1.00 0.00 N ATOM 200 CD2 HIS A 14 -31.916 0.910 -6.845 1.00 0.00 C ATOM 201 CE1 HIS A 14 -31.707 -1.133 -7.535 1.00 0.00 C ATOM 202 NE2 HIS A 14 -32.543 -0.333 -6.865 1.00 0.00 N ATOM 0 H HIS A 14 -31.896 3.116 -9.056 1.00 0.00 H new ATOM 0 HA HIS A 14 -28.940 3.048 -9.421 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -28.654 1.340 -7.739 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -29.613 2.568 -6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -32.313 1.801 -6.382 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -31.893 -2.180 -7.726 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -33.445 -0.580 -6.457 1.00 0.00 H new ATOM 210 N ASN A 15 -29.568 1.615 -11.308 1.00 0.00 N ATOM 211 CA ASN A 15 -29.888 0.671 -12.417 1.00 0.00 C ATOM 212 C ASN A 15 -28.600 0.195 -13.090 1.00 0.00 C ATOM 213 O ASN A 15 -28.362 0.455 -14.253 1.00 0.00 O ATOM 214 CB ASN A 15 -30.736 1.481 -13.399 1.00 0.00 C ATOM 215 CG ASN A 15 -32.134 0.868 -13.494 1.00 0.00 C ATOM 216 OD1 ASN A 15 -32.298 -0.225 -13.999 1.00 0.00 O ATOM 217 ND2 ASN A 15 -33.156 1.531 -13.028 1.00 0.00 N ATOM 0 H ASN A 15 -28.828 2.288 -11.510 1.00 0.00 H new ATOM 0 HA ASN A 15 -30.412 -0.217 -12.064 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -30.804 2.517 -13.068 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -30.264 1.490 -14.382 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -34.093 1.132 -13.087 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -33.018 2.448 -12.604 1.00 0.00 H new ATOM 224 N GLY A 16 -27.766 -0.499 -12.366 1.00 0.00 N ATOM 225 CA GLY A 16 -26.492 -0.990 -12.962 1.00 0.00 C ATOM 226 C GLY A 16 -26.764 -1.564 -14.353 1.00 0.00 C ATOM 227 O GLY A 16 -26.489 -0.939 -15.359 1.00 0.00 O ATOM 0 H GLY A 16 -27.912 -0.747 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -25.772 -0.174 -13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -26.050 -1.754 -12.322 1.00 0.00 H new ATOM 231 N TYR A 17 -27.301 -2.751 -14.418 1.00 0.00 N ATOM 232 CA TYR A 17 -27.589 -3.368 -15.744 1.00 0.00 C ATOM 233 C TYR A 17 -28.259 -4.732 -15.558 1.00 0.00 C ATOM 234 O TYR A 17 -28.014 -5.662 -16.301 1.00 0.00 O ATOM 235 CB TYR A 17 -26.222 -3.526 -16.412 1.00 0.00 C ATOM 236 CG TYR A 17 -26.394 -3.563 -17.912 1.00 0.00 C ATOM 237 CD1 TYR A 17 -26.658 -4.778 -18.555 1.00 0.00 C ATOM 238 CD2 TYR A 17 -26.288 -2.384 -18.659 1.00 0.00 C ATOM 239 CE1 TYR A 17 -26.818 -4.814 -19.946 1.00 0.00 C ATOM 240 CE2 TYR A 17 -26.447 -2.419 -20.049 1.00 0.00 C ATOM 241 CZ TYR A 17 -26.712 -3.635 -20.693 1.00 0.00 C ATOM 242 OH TYR A 17 -26.870 -3.670 -22.064 1.00 0.00 O ATOM 0 H TYR A 17 -27.553 -3.321 -13.610 1.00 0.00 H new ATOM 0 HA TYR A 17 -28.267 -2.762 -16.344 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -25.570 -2.699 -16.131 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -25.741 -4.442 -16.068 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -26.738 -5.688 -17.979 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -26.083 -1.447 -18.163 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -27.023 -5.751 -20.442 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -26.365 -1.509 -20.625 1.00 0.00 H new ATOM 0 HH TYR A 17 -26.767 -2.766 -22.428 1.00 0.00 H new ATOM 252 N GLU A 18 -29.103 -4.858 -14.570 1.00 0.00 N ATOM 253 CA GLU A 18 -29.787 -6.161 -14.337 1.00 0.00 C ATOM 254 C GLU A 18 -30.691 -6.065 -13.107 1.00 0.00 C ATOM 255 O GLU A 18 -31.050 -4.989 -12.671 1.00 0.00 O ATOM 256 CB GLU A 18 -28.657 -7.161 -14.098 1.00 0.00 C ATOM 257 CG GLU A 18 -27.659 -6.573 -13.097 1.00 0.00 C ATOM 258 CD GLU A 18 -26.984 -7.705 -12.319 1.00 0.00 C ATOM 259 OE1 GLU A 18 -26.295 -8.496 -12.941 1.00 0.00 O ATOM 260 OE2 GLU A 18 -27.167 -7.760 -11.114 1.00 0.00 O ATOM 0 H GLU A 18 -29.348 -4.115 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 18 -30.420 -6.455 -15.174 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -29.061 -8.099 -13.717 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -28.154 -7.389 -15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -26.909 -5.981 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -28.172 -5.901 -12.409 1.00 0.00 H new ATOM 267 N ASP A 19 -31.062 -7.181 -12.543 1.00 0.00 N ATOM 268 CA ASP A 19 -31.941 -7.147 -11.341 1.00 0.00 C ATOM 269 C ASP A 19 -31.219 -7.756 -10.139 1.00 0.00 C ATOM 270 O ASP A 19 -31.365 -7.303 -9.021 1.00 0.00 O ATOM 271 CB ASP A 19 -33.164 -7.987 -11.712 1.00 0.00 C ATOM 272 CG ASP A 19 -34.393 -7.450 -10.976 1.00 0.00 C ATOM 273 OD1 ASP A 19 -34.431 -6.258 -10.719 1.00 0.00 O ATOM 274 OD2 ASP A 19 -35.274 -8.241 -10.682 1.00 0.00 O ATOM 0 H ASP A 19 -30.795 -8.113 -12.861 1.00 0.00 H new ATOM 0 HA ASP A 19 -32.217 -6.129 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -33.328 -7.954 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -32.996 -9.031 -11.447 1.00 0.00 H new ATOM 279 N PHE A 20 -30.440 -8.781 -10.356 1.00 0.00 N ATOM 280 CA PHE A 20 -29.714 -9.411 -9.217 1.00 0.00 C ATOM 281 C PHE A 20 -28.227 -9.569 -9.551 1.00 0.00 C ATOM 282 O PHE A 20 -27.860 -10.181 -10.535 1.00 0.00 O ATOM 283 CB PHE A 20 -30.380 -10.777 -9.023 1.00 0.00 C ATOM 284 CG PHE A 20 -29.896 -11.742 -10.080 1.00 0.00 C ATOM 285 CD1 PHE A 20 -30.563 -11.829 -11.307 1.00 0.00 C ATOM 286 CD2 PHE A 20 -28.781 -12.553 -9.830 1.00 0.00 C ATOM 287 CE1 PHE A 20 -30.116 -12.726 -12.285 1.00 0.00 C ATOM 288 CE2 PHE A 20 -28.334 -13.449 -10.808 1.00 0.00 C ATOM 289 CZ PHE A 20 -29.002 -13.536 -12.035 1.00 0.00 C ATOM 0 H PHE A 20 -30.276 -9.207 -11.268 1.00 0.00 H new ATOM 0 HA PHE A 20 -29.765 -8.806 -8.312 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -30.150 -11.166 -8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -31.464 -10.674 -9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -31.423 -11.204 -11.500 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -28.267 -12.487 -8.883 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -30.631 -12.793 -13.232 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -27.474 -14.073 -10.616 1.00 0.00 H new ATOM 0 HZ PHE A 20 -28.658 -14.228 -12.789 1.00 0.00 H new ATOM 299 N TYR A 21 -27.373 -9.020 -8.734 1.00 0.00 N ATOM 300 CA TYR A 21 -25.910 -9.131 -8.989 1.00 0.00 C ATOM 301 C TYR A 21 -25.336 -10.356 -8.266 1.00 0.00 C ATOM 302 O TYR A 21 -26.068 -11.204 -7.795 1.00 0.00 O ATOM 303 CB TYR A 21 -25.331 -7.835 -8.438 1.00 0.00 C ATOM 304 CG TYR A 21 -25.383 -6.788 -9.524 1.00 0.00 C ATOM 305 CD1 TYR A 21 -24.559 -6.913 -10.648 1.00 0.00 C ATOM 306 CD2 TYR A 21 -26.250 -5.695 -9.410 1.00 0.00 C ATOM 307 CE1 TYR A 21 -24.598 -5.946 -11.658 1.00 0.00 C ATOM 308 CE2 TYR A 21 -26.290 -4.727 -10.421 1.00 0.00 C ATOM 309 CZ TYR A 21 -25.463 -4.852 -11.544 1.00 0.00 C ATOM 310 OH TYR A 21 -25.501 -3.897 -12.539 1.00 0.00 O ATOM 0 H TYR A 21 -27.627 -8.496 -7.896 1.00 0.00 H new ATOM 0 HA TYR A 21 -25.671 -9.264 -10.044 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -25.899 -7.506 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -24.303 -7.989 -8.109 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -23.892 -7.758 -10.736 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -26.887 -5.598 -8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -23.961 -6.044 -12.525 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -26.959 -3.884 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 21 -25.282 -4.312 -13.399 1.00 0.00 H new ATOM 320 N THR A 22 -24.038 -10.468 -8.181 1.00 0.00 N ATOM 321 CA THR A 22 -23.443 -11.654 -7.494 1.00 0.00 C ATOM 322 C THR A 22 -22.210 -11.256 -6.687 1.00 0.00 C ATOM 323 O THR A 22 -22.180 -11.364 -5.477 1.00 0.00 O ATOM 324 CB THR A 22 -23.051 -12.604 -8.626 1.00 0.00 C ATOM 325 OG1 THR A 22 -22.813 -11.853 -9.809 1.00 0.00 O ATOM 326 CG2 THR A 22 -24.181 -13.605 -8.872 1.00 0.00 C ATOM 0 H THR A 22 -23.367 -9.796 -8.554 1.00 0.00 H new ATOM 0 HA THR A 22 -24.141 -12.108 -6.790 1.00 0.00 H new ATOM 0 HB THR A 22 -22.146 -13.145 -8.350 1.00 0.00 H new ATOM 0 HG1 THR A 22 -22.560 -12.459 -10.536 1.00 0.00 H new ATOM 0 HG21 THR A 22 -23.899 -14.281 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 22 -24.362 -14.180 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 22 -25.089 -13.068 -9.148 1.00 0.00 H new ATOM 334 N ASP A 23 -21.190 -10.813 -7.352 1.00 0.00 N ATOM 335 CA ASP A 23 -19.942 -10.422 -6.640 1.00 0.00 C ATOM 336 C ASP A 23 -19.012 -9.690 -7.606 1.00 0.00 C ATOM 337 O ASP A 23 -18.960 -9.995 -8.781 1.00 0.00 O ATOM 338 CB ASP A 23 -19.331 -11.748 -6.191 1.00 0.00 C ATOM 339 CG ASP A 23 -17.869 -11.534 -5.797 1.00 0.00 C ATOM 340 OD1 ASP A 23 -17.523 -10.411 -5.469 1.00 0.00 O ATOM 341 OD2 ASP A 23 -17.120 -12.496 -5.830 1.00 0.00 O ATOM 0 H ASP A 23 -21.162 -10.702 -8.366 1.00 0.00 H new ATOM 0 HA ASP A 23 -20.118 -9.751 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.890 -12.150 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -19.398 -12.481 -6.995 1.00 0.00 H new ATOM 346 N GLY A 24 -18.294 -8.713 -7.131 1.00 0.00 N ATOM 347 CA GLY A 24 -17.394 -7.957 -8.042 1.00 0.00 C ATOM 348 C GLY A 24 -18.257 -7.153 -9.013 1.00 0.00 C ATOM 349 O GLY A 24 -17.784 -6.645 -10.010 1.00 0.00 O ATOM 0 H GLY A 24 -18.291 -8.407 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.747 -7.292 -7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.745 -8.642 -8.588 1.00 0.00 H new ATOM 353 N SER A 25 -19.526 -7.035 -8.722 1.00 0.00 N ATOM 354 CA SER A 25 -20.433 -6.266 -9.620 1.00 0.00 C ATOM 355 C SER A 25 -20.451 -4.801 -9.214 1.00 0.00 C ATOM 356 O SER A 25 -19.827 -4.401 -8.252 1.00 0.00 O ATOM 357 CB SER A 25 -21.815 -6.875 -9.418 1.00 0.00 C ATOM 358 OG SER A 25 -21.894 -8.112 -10.114 1.00 0.00 O ATOM 0 H SER A 25 -19.973 -7.439 -7.899 1.00 0.00 H new ATOM 0 HA SER A 25 -20.111 -6.316 -10.660 1.00 0.00 H new ATOM 0 HB2 SER A 25 -22.004 -7.030 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 25 -22.582 -6.191 -9.782 1.00 0.00 H new ATOM 0 HG SER A 25 -21.762 -8.851 -9.484 1.00 0.00 H new ATOM 364 N VAL A 26 -21.167 -3.997 -9.940 1.00 0.00 N ATOM 365 CA VAL A 26 -21.227 -2.558 -9.592 1.00 0.00 C ATOM 366 C VAL A 26 -22.524 -1.941 -10.097 1.00 0.00 C ATOM 367 O VAL A 26 -23.137 -2.429 -11.026 1.00 0.00 O ATOM 368 CB VAL A 26 -20.019 -1.935 -10.289 1.00 0.00 C ATOM 369 CG1 VAL A 26 -20.184 -0.421 -10.348 1.00 0.00 C ATOM 370 CG2 VAL A 26 -18.750 -2.270 -9.510 1.00 0.00 C ATOM 0 H VAL A 26 -21.712 -4.273 -10.757 1.00 0.00 H new ATOM 0 HA VAL A 26 -21.205 -2.392 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 26 -19.945 -2.334 -11.301 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -19.320 0.020 -10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -21.088 -0.175 -10.904 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -20.261 -0.024 -9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -17.889 -1.825 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -18.829 -1.873 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -18.625 -3.352 -9.466 1.00 0.00 H new ATOM 380 N VAL A 27 -22.954 -0.876 -9.484 1.00 0.00 N ATOM 381 CA VAL A 27 -24.222 -0.242 -9.926 1.00 0.00 C ATOM 382 C VAL A 27 -24.099 1.266 -9.996 1.00 0.00 C ATOM 383 O VAL A 27 -23.956 1.938 -8.995 1.00 0.00 O ATOM 384 CB VAL A 27 -25.240 -0.640 -8.869 1.00 0.00 C ATOM 385 CG1 VAL A 27 -26.462 0.284 -8.933 1.00 0.00 C ATOM 386 CG2 VAL A 27 -25.667 -2.062 -9.147 1.00 0.00 C ATOM 0 H VAL A 27 -22.485 -0.420 -8.701 1.00 0.00 H new ATOM 0 HA VAL A 27 -24.503 -0.567 -10.928 1.00 0.00 H new ATOM 0 HB VAL A 27 -24.798 -0.557 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -27.183 -0.012 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -26.150 1.313 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -26.924 0.209 -9.918 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -26.399 -2.374 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -26.112 -2.121 -10.140 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -24.798 -2.719 -9.100 1.00 0.00 H new ATOM 396 N THR A 28 -24.199 1.815 -11.163 1.00 0.00 N ATOM 397 CA THR A 28 -24.133 3.282 -11.255 1.00 0.00 C ATOM 398 C THR A 28 -25.429 3.839 -10.680 1.00 0.00 C ATOM 399 O THR A 28 -26.476 3.760 -11.292 1.00 0.00 O ATOM 400 CB THR A 28 -23.995 3.609 -12.742 1.00 0.00 C ATOM 401 OG1 THR A 28 -23.944 2.404 -13.494 1.00 0.00 O ATOM 402 CG2 THR A 28 -22.713 4.408 -12.961 1.00 0.00 C ATOM 0 H THR A 28 -24.322 1.318 -12.045 1.00 0.00 H new ATOM 0 HA THR A 28 -23.299 3.715 -10.703 1.00 0.00 H new ATOM 0 HB THR A 28 -24.853 4.197 -13.070 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.855 2.104 -13.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 -22.608 4.645 -14.020 1.00 0.00 H new ATOM 0 HG22 THR A 28 -22.758 5.332 -12.385 1.00 0.00 H new ATOM 0 HG23 THR A 28 -21.856 3.818 -12.635 1.00 0.00 H new ATOM 410 N TYR A 29 -25.377 4.370 -9.494 1.00 0.00 N ATOM 411 CA TYR A 29 -26.620 4.893 -8.869 1.00 0.00 C ATOM 412 C TYR A 29 -27.115 6.124 -9.631 1.00 0.00 C ATOM 413 O TYR A 29 -26.369 7.044 -9.895 1.00 0.00 O ATOM 414 CB TYR A 29 -26.216 5.297 -7.447 1.00 0.00 C ATOM 415 CG TYR A 29 -26.378 4.151 -6.472 1.00 0.00 C ATOM 416 CD1 TYR A 29 -26.908 2.914 -6.875 1.00 0.00 C ATOM 417 CD2 TYR A 29 -25.986 4.339 -5.142 1.00 0.00 C ATOM 418 CE1 TYR A 29 -27.042 1.879 -5.945 1.00 0.00 C ATOM 419 CE2 TYR A 29 -26.120 3.303 -4.216 1.00 0.00 C ATOM 420 CZ TYR A 29 -26.648 2.073 -4.614 1.00 0.00 C ATOM 421 OH TYR A 29 -26.781 1.051 -3.696 1.00 0.00 O ATOM 0 H TYR A 29 -24.531 4.465 -8.932 1.00 0.00 H new ATOM 0 HA TYR A 29 -27.421 4.154 -8.879 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -25.179 5.633 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -26.825 6.141 -7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -27.211 2.763 -7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -25.578 5.289 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -27.450 0.928 -6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -25.815 3.453 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 29 -26.460 1.353 -2.821 1.00 0.00 H new ATOM 431 N SER A 30 -28.371 6.150 -9.981 1.00 0.00 N ATOM 432 CA SER A 30 -28.912 7.327 -10.719 1.00 0.00 C ATOM 433 C SER A 30 -29.257 8.444 -9.732 1.00 0.00 C ATOM 434 O SER A 30 -29.423 8.210 -8.551 1.00 0.00 O ATOM 435 CB SER A 30 -30.173 6.815 -11.413 1.00 0.00 C ATOM 436 OG SER A 30 -29.991 5.453 -11.778 1.00 0.00 O ATOM 0 H SER A 30 -29.045 5.409 -9.789 1.00 0.00 H new ATOM 0 HA SER A 30 -28.197 7.737 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 30 -31.032 6.913 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 30 -30.383 7.415 -12.298 1.00 0.00 H new ATOM 0 HG SER A 30 -30.800 5.122 -12.222 1.00 0.00 H new ATOM 442 N CYS A 31 -29.365 9.655 -10.201 1.00 0.00 N ATOM 443 CA CYS A 31 -29.697 10.781 -9.281 1.00 0.00 C ATOM 444 C CYS A 31 -30.850 11.608 -9.856 1.00 0.00 C ATOM 445 O CYS A 31 -31.160 11.526 -11.027 1.00 0.00 O ATOM 446 CB CYS A 31 -28.422 11.624 -9.202 1.00 0.00 C ATOM 447 SG CYS A 31 -26.987 10.544 -8.964 1.00 0.00 S ATOM 0 H CYS A 31 -29.238 9.915 -11.179 1.00 0.00 H new ATOM 0 HA CYS A 31 -30.013 10.430 -8.299 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -28.303 12.206 -10.116 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -28.495 12.334 -8.378 1.00 0.00 H new ATOM 452 N ASN A 32 -31.486 12.406 -9.041 1.00 0.00 N ATOM 453 CA ASN A 32 -32.615 13.237 -9.548 1.00 0.00 C ATOM 454 C ASN A 32 -32.105 14.240 -10.585 1.00 0.00 C ATOM 455 O ASN A 32 -30.959 14.643 -10.561 1.00 0.00 O ATOM 456 CB ASN A 32 -33.159 13.965 -8.318 1.00 0.00 C ATOM 457 CG ASN A 32 -34.623 13.575 -8.102 1.00 0.00 C ATOM 458 OD1 ASN A 32 -35.039 13.320 -6.990 1.00 0.00 O ATOM 459 ND2 ASN A 32 -35.428 13.519 -9.129 1.00 0.00 N ATOM 0 H ASN A 32 -31.273 12.518 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 32 -33.383 12.637 -10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -32.569 13.707 -7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -33.075 15.043 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -36.406 13.261 -8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -35.079 13.733 -10.063 1.00 0.00 H new ATOM 466 N SER A 33 -32.945 14.643 -11.498 1.00 0.00 N ATOM 467 CA SER A 33 -32.506 15.617 -12.538 1.00 0.00 C ATOM 468 C SER A 33 -31.837 16.831 -11.885 1.00 0.00 C ATOM 469 O SER A 33 -32.485 17.650 -11.264 1.00 0.00 O ATOM 470 CB SER A 33 -33.789 16.034 -13.254 1.00 0.00 C ATOM 471 OG SER A 33 -33.533 16.152 -14.647 1.00 0.00 O ATOM 0 H SER A 33 -33.916 14.340 -11.569 1.00 0.00 H new ATOM 0 HA SER A 33 -31.776 15.186 -13.223 1.00 0.00 H new ATOM 0 HB2 SER A 33 -34.573 15.298 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 33 -34.148 16.983 -12.857 1.00 0.00 H new ATOM 0 HG SER A 33 -34.355 16.418 -15.109 1.00 0.00 H new ATOM 477 N GLY A 34 -30.544 16.954 -12.025 1.00 0.00 N ATOM 478 CA GLY A 34 -29.837 18.117 -11.415 1.00 0.00 C ATOM 479 C GLY A 34 -28.984 17.642 -10.236 1.00 0.00 C ATOM 480 O GLY A 34 -28.226 18.398 -9.662 1.00 0.00 O ATOM 0 H GLY A 34 -29.948 16.301 -12.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -29.207 18.603 -12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -30.561 18.859 -11.077 1.00 0.00 H new ATOM 484 N TYR A 35 -29.102 16.395 -9.869 1.00 0.00 N ATOM 485 CA TYR A 35 -28.298 15.873 -8.725 1.00 0.00 C ATOM 486 C TYR A 35 -27.017 15.205 -9.237 1.00 0.00 C ATOM 487 O TYR A 35 -27.053 14.365 -10.115 1.00 0.00 O ATOM 488 CB TYR A 35 -29.205 14.847 -8.043 1.00 0.00 C ATOM 489 CG TYR A 35 -30.044 15.535 -6.992 1.00 0.00 C ATOM 490 CD1 TYR A 35 -30.363 16.892 -7.127 1.00 0.00 C ATOM 491 CD2 TYR A 35 -30.501 14.817 -5.880 1.00 0.00 C ATOM 492 CE1 TYR A 35 -31.138 17.530 -6.151 1.00 0.00 C ATOM 493 CE2 TYR A 35 -31.276 15.455 -4.904 1.00 0.00 C ATOM 494 CZ TYR A 35 -31.594 16.811 -5.040 1.00 0.00 C ATOM 495 OH TYR A 35 -32.357 17.441 -4.078 1.00 0.00 O ATOM 0 H TYR A 35 -29.720 15.715 -10.311 1.00 0.00 H new ATOM 0 HA TYR A 35 -27.989 16.663 -8.041 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -29.849 14.368 -8.781 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -28.604 14.061 -7.586 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -30.011 17.447 -7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -30.256 13.771 -5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -31.384 18.576 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -31.628 14.901 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 35 -32.592 16.800 -3.375 1.00 0.00 H new ATOM 505 N SER A 36 -25.885 15.575 -8.701 1.00 0.00 N ATOM 506 CA SER A 36 -24.606 14.963 -9.165 1.00 0.00 C ATOM 507 C SER A 36 -24.370 13.615 -8.491 1.00 0.00 C ATOM 508 O SER A 36 -24.703 13.416 -7.340 1.00 0.00 O ATOM 509 CB SER A 36 -23.513 15.942 -8.746 1.00 0.00 C ATOM 510 OG SER A 36 -22.649 16.169 -9.851 1.00 0.00 O ATOM 0 H SER A 36 -25.790 16.273 -7.963 1.00 0.00 H new ATOM 0 HA SER A 36 -24.620 14.787 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.955 16.881 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 36 -22.950 15.540 -7.904 1.00 0.00 H new ATOM 0 HG SER A 36 -22.015 15.426 -9.929 1.00 0.00 H new ATOM 516 N LEU A 37 -23.771 12.697 -9.193 1.00 0.00 N ATOM 517 CA LEU A 37 -23.481 11.372 -8.587 1.00 0.00 C ATOM 518 C LEU A 37 -22.058 11.381 -8.034 1.00 0.00 C ATOM 519 O LEU A 37 -21.100 11.197 -8.757 1.00 0.00 O ATOM 520 CB LEU A 37 -23.610 10.364 -9.729 1.00 0.00 C ATOM 521 CG LEU A 37 -23.189 8.982 -9.231 1.00 0.00 C ATOM 522 CD1 LEU A 37 -24.420 8.233 -8.721 1.00 0.00 C ATOM 523 CD2 LEU A 37 -22.551 8.195 -10.379 1.00 0.00 C ATOM 0 H LEU A 37 -23.470 12.808 -10.161 1.00 0.00 H new ATOM 0 HA LEU A 37 -24.156 11.125 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -24.638 10.336 -10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.985 10.667 -10.569 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.466 9.091 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -24.124 7.246 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -24.874 8.793 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -25.141 8.125 -9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -22.251 7.210 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.272 8.084 -11.189 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -21.675 8.731 -10.744 1.00 0.00 H new ATOM 535 N ILE A 38 -21.910 11.599 -6.759 1.00 0.00 N ATOM 536 CA ILE A 38 -20.537 11.625 -6.171 1.00 0.00 C ATOM 537 C ILE A 38 -20.163 10.227 -5.691 1.00 0.00 C ATOM 538 O ILE A 38 -21.012 9.387 -5.488 1.00 0.00 O ATOM 539 CB ILE A 38 -20.548 12.607 -4.980 1.00 0.00 C ATOM 540 CG1 ILE A 38 -21.831 13.452 -4.938 1.00 0.00 C ATOM 541 CG2 ILE A 38 -19.354 13.548 -5.106 1.00 0.00 C ATOM 542 CD1 ILE A 38 -21.994 14.211 -6.251 1.00 0.00 C ATOM 0 H ILE A 38 -22.672 11.760 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 38 -19.807 11.945 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 38 -20.498 12.019 -4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -22.695 12.809 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -21.788 14.154 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.352 14.247 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.431 12.968 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -19.425 14.103 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.905 14.808 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -21.136 14.866 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -22.057 13.501 -7.076 1.00 0.00 H new ATOM 554 N GLY A 39 -18.901 9.965 -5.513 1.00 0.00 N ATOM 555 CA GLY A 39 -18.488 8.611 -5.053 1.00 0.00 C ATOM 556 C GLY A 39 -18.114 7.766 -6.268 1.00 0.00 C ATOM 557 O GLY A 39 -18.169 8.224 -7.391 1.00 0.00 O ATOM 0 H GLY A 39 -18.139 10.626 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.640 8.687 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.299 8.137 -4.500 1.00 0.00 H new ATOM 561 N ASN A 40 -17.737 6.536 -6.059 1.00 0.00 N ATOM 562 CA ASN A 40 -17.369 5.674 -7.216 1.00 0.00 C ATOM 563 C ASN A 40 -18.509 5.666 -8.237 1.00 0.00 C ATOM 564 O ASN A 40 -19.671 5.665 -7.883 1.00 0.00 O ATOM 565 CB ASN A 40 -17.156 4.278 -6.628 1.00 0.00 C ATOM 566 CG ASN A 40 -16.436 3.399 -7.651 1.00 0.00 C ATOM 567 OD1 ASN A 40 -15.269 3.597 -7.925 1.00 0.00 O ATOM 568 ND2 ASN A 40 -17.086 2.429 -8.233 1.00 0.00 N ATOM 0 H ASN A 40 -17.668 6.092 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 40 -16.477 6.028 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -16.569 4.343 -5.712 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -18.115 3.834 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -16.614 1.838 -8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -18.066 2.262 -8.004 1.00 0.00 H new ATOM 575 N SER A 41 -18.188 5.664 -9.500 1.00 0.00 N ATOM 576 CA SER A 41 -19.256 5.661 -10.540 1.00 0.00 C ATOM 577 C SER A 41 -19.916 4.284 -10.617 1.00 0.00 C ATOM 578 O SER A 41 -19.994 3.681 -11.669 1.00 0.00 O ATOM 579 CB SER A 41 -18.533 5.979 -11.846 1.00 0.00 C ATOM 580 OG SER A 41 -17.355 5.188 -11.934 1.00 0.00 O ATOM 0 H SER A 41 -17.233 5.664 -9.858 1.00 0.00 H new ATOM 0 HA SER A 41 -20.046 6.380 -10.323 1.00 0.00 H new ATOM 0 HB2 SER A 41 -19.186 5.776 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 -18.278 7.038 -11.886 1.00 0.00 H new ATOM 0 HG SER A 41 -16.889 5.388 -12.772 1.00 0.00 H new ATOM 586 N GLY A 42 -20.389 3.777 -9.513 1.00 0.00 N ATOM 587 CA GLY A 42 -21.036 2.437 -9.535 1.00 0.00 C ATOM 588 C GLY A 42 -20.801 1.724 -8.205 1.00 0.00 C ATOM 589 O GLY A 42 -19.676 1.512 -7.798 1.00 0.00 O ATOM 0 H GLY A 42 -20.356 4.231 -8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.106 2.543 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -20.631 1.842 -10.353 1.00 0.00 H new ATOM 593 N VAL A 43 -21.849 1.333 -7.530 1.00 0.00 N ATOM 594 CA VAL A 43 -21.649 0.613 -6.237 1.00 0.00 C ATOM 595 C VAL A 43 -20.747 -0.584 -6.502 1.00 0.00 C ATOM 596 O VAL A 43 -20.340 -0.813 -7.622 1.00 0.00 O ATOM 597 CB VAL A 43 -23.017 0.106 -5.757 1.00 0.00 C ATOM 598 CG1 VAL A 43 -22.993 -0.017 -4.234 1.00 0.00 C ATOM 599 CG2 VAL A 43 -24.141 1.062 -6.145 1.00 0.00 C ATOM 0 H VAL A 43 -22.819 1.477 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 43 -21.204 1.267 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 43 -23.204 -0.858 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -23.960 -0.376 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -22.215 -0.721 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -22.787 0.958 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -25.093 0.669 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -23.960 2.038 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -24.174 1.163 -7.230 1.00 0.00 H new ATOM 609 N LEU A 44 -20.445 -1.361 -5.502 1.00 0.00 N ATOM 610 CA LEU A 44 -19.585 -2.552 -5.738 1.00 0.00 C ATOM 611 C LEU A 44 -20.042 -3.715 -4.862 1.00 0.00 C ATOM 612 O LEU A 44 -19.660 -3.826 -3.714 1.00 0.00 O ATOM 613 CB LEU A 44 -18.166 -2.114 -5.362 1.00 0.00 C ATOM 614 CG LEU A 44 -17.270 -3.348 -5.177 1.00 0.00 C ATOM 615 CD1 LEU A 44 -16.266 -3.437 -6.325 1.00 0.00 C ATOM 616 CD2 LEU A 44 -16.517 -3.234 -3.849 1.00 0.00 C ATOM 0 H LEU A 44 -20.753 -1.225 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 44 -19.637 -2.895 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.757 -1.470 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -18.188 -1.529 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 44 -17.889 -4.245 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.634 -4.314 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.801 -3.520 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -15.646 -2.541 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.880 -4.109 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.901 -2.335 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -17.233 -3.177 -3.029 1.00 0.00 H new ATOM 628 N CYS A 45 -20.834 -4.601 -5.398 1.00 0.00 N ATOM 629 CA CYS A 45 -21.276 -5.767 -4.584 1.00 0.00 C ATOM 630 C CYS A 45 -20.178 -6.825 -4.590 1.00 0.00 C ATOM 631 O CYS A 45 -19.971 -7.518 -5.570 1.00 0.00 O ATOM 632 CB CYS A 45 -22.539 -6.305 -5.253 1.00 0.00 C ATOM 633 SG CYS A 45 -23.690 -6.870 -3.971 1.00 0.00 S ATOM 0 H CYS A 45 -21.191 -4.570 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 45 -21.475 -5.491 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -23.004 -5.528 -5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.289 -7.127 -5.924 1.00 0.00 H new ATOM 638 N SER A 46 -19.465 -6.947 -3.509 1.00 0.00 N ATOM 639 CA SER A 46 -18.372 -7.956 -3.453 1.00 0.00 C ATOM 640 C SER A 46 -18.506 -8.812 -2.191 1.00 0.00 C ATOM 641 O SER A 46 -18.167 -8.389 -1.104 1.00 0.00 O ATOM 642 CB SER A 46 -17.081 -7.139 -3.413 1.00 0.00 C ATOM 643 OG SER A 46 -17.278 -5.987 -2.604 1.00 0.00 O ATOM 0 H SER A 46 -19.590 -6.393 -2.662 1.00 0.00 H new ATOM 0 HA SER A 46 -18.396 -8.639 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.267 -7.743 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.793 -6.844 -4.422 1.00 0.00 H new ATOM 0 HG SER A 46 -17.662 -6.254 -1.743 1.00 0.00 H new ATOM 649 N GLY A 47 -18.997 -10.013 -2.327 1.00 0.00 N ATOM 650 CA GLY A 47 -19.151 -10.892 -1.134 1.00 0.00 C ATOM 651 C GLY A 47 -20.604 -10.857 -0.656 1.00 0.00 C ATOM 652 O GLY A 47 -20.892 -11.080 0.503 1.00 0.00 O ATOM 0 H GLY A 47 -19.298 -10.423 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.864 -11.914 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.487 -10.559 -0.336 1.00 0.00 H new ATOM 656 N GLY A 48 -21.523 -10.578 -1.540 1.00 0.00 N ATOM 657 CA GLY A 48 -22.957 -10.529 -1.136 1.00 0.00 C ATOM 658 C GLY A 48 -23.207 -9.286 -0.281 1.00 0.00 C ATOM 659 O GLY A 48 -24.158 -9.220 0.472 1.00 0.00 O ATOM 0 H GLY A 48 -21.343 -10.382 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -23.594 -10.509 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -23.218 -11.427 -0.576 1.00 0.00 H new ATOM 663 N GLU A 49 -22.362 -8.297 -0.390 1.00 0.00 N ATOM 664 CA GLU A 49 -22.555 -7.060 0.420 1.00 0.00 C ATOM 665 C GLU A 49 -22.203 -5.823 -0.406 1.00 0.00 C ATOM 666 O GLU A 49 -21.054 -5.581 -0.718 1.00 0.00 O ATOM 667 CB GLU A 49 -21.593 -7.201 1.598 1.00 0.00 C ATOM 668 CG GLU A 49 -22.368 -7.647 2.839 1.00 0.00 C ATOM 669 CD GLU A 49 -21.384 -8.007 3.954 1.00 0.00 C ATOM 670 OE1 GLU A 49 -20.950 -7.102 4.648 1.00 0.00 O ATOM 671 OE2 GLU A 49 -21.082 -9.180 4.095 1.00 0.00 O ATOM 0 H GLU A 49 -21.547 -8.292 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 49 -23.588 -6.942 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.815 -7.927 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -21.094 -6.251 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -23.034 -6.850 3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.994 -8.507 2.600 1.00 0.00 H new ATOM 678 N TRP A 50 -23.179 -5.035 -0.758 1.00 0.00 N ATOM 679 CA TRP A 50 -22.889 -3.814 -1.558 1.00 0.00 C ATOM 680 C TRP A 50 -22.026 -2.851 -0.743 1.00 0.00 C ATOM 681 O TRP A 50 -22.262 -2.634 0.430 1.00 0.00 O ATOM 682 CB TRP A 50 -24.256 -3.188 -1.838 1.00 0.00 C ATOM 683 CG TRP A 50 -24.955 -3.966 -2.903 1.00 0.00 C ATOM 684 CD1 TRP A 50 -25.967 -4.839 -2.693 1.00 0.00 C ATOM 685 CD2 TRP A 50 -24.713 -3.956 -4.337 1.00 0.00 C ATOM 686 NE1 TRP A 50 -26.359 -5.369 -3.908 1.00 0.00 N ATOM 687 CE2 TRP A 50 -25.615 -4.856 -4.952 1.00 0.00 C ATOM 688 CE3 TRP A 50 -23.804 -3.261 -5.155 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -25.615 -5.061 -6.331 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -23.801 -3.463 -6.544 1.00 0.00 C ATOM 691 CH2 TRP A 50 -24.703 -4.361 -7.131 1.00 0.00 C ATOM 0 H TRP A 50 -24.162 -5.183 -0.527 1.00 0.00 H new ATOM 0 HA TRP A 50 -22.347 -4.040 -2.476 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -24.856 -3.178 -0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -24.135 -2.151 -2.151 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -26.398 -5.082 -1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -27.106 -6.055 -4.020 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -23.104 -2.568 -4.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -26.312 -5.754 -6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -23.100 -2.924 -7.164 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -24.695 -4.513 -8.200 1.00 0.00 H new ATOM 702 N SER A 51 -21.028 -2.273 -1.348 1.00 0.00 N ATOM 703 CA SER A 51 -20.157 -1.327 -0.596 1.00 0.00 C ATOM 704 C SER A 51 -19.706 -0.170 -1.494 1.00 0.00 C ATOM 705 O SER A 51 -19.707 -0.266 -2.707 1.00 0.00 O ATOM 706 CB SER A 51 -18.957 -2.163 -0.156 1.00 0.00 C ATOM 707 OG SER A 51 -18.824 -2.082 1.258 1.00 0.00 O ATOM 0 H SER A 51 -20.777 -2.413 -2.327 1.00 0.00 H new ATOM 0 HA SER A 51 -20.678 -0.877 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.090 -3.201 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.050 -1.802 -0.640 1.00 0.00 H new ATOM 0 HG SER A 51 -18.056 -2.618 1.546 1.00 0.00 H new ATOM 713 N ASP A 52 -19.315 0.921 -0.891 1.00 0.00 N ATOM 714 CA ASP A 52 -18.846 2.102 -1.673 1.00 0.00 C ATOM 715 C ASP A 52 -19.945 2.624 -2.602 1.00 0.00 C ATOM 716 O ASP A 52 -19.820 2.575 -3.810 1.00 0.00 O ATOM 717 CB ASP A 52 -17.647 1.599 -2.479 1.00 0.00 C ATOM 718 CG ASP A 52 -16.952 2.783 -3.156 1.00 0.00 C ATOM 719 OD1 ASP A 52 -17.650 3.618 -3.706 1.00 0.00 O ATOM 720 OD2 ASP A 52 -15.734 2.833 -3.111 1.00 0.00 O ATOM 0 H ASP A 52 -19.300 1.045 0.121 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.581 2.935 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.948 1.079 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.976 0.880 -3.229 1.00 0.00 H new ATOM 725 N PRO A 53 -20.977 3.127 -1.991 1.00 0.00 N ATOM 726 CA PRO A 53 -22.117 3.696 -2.731 1.00 0.00 C ATOM 727 C PRO A 53 -21.887 5.190 -2.962 1.00 0.00 C ATOM 728 O PRO A 53 -21.552 5.912 -2.045 1.00 0.00 O ATOM 729 CB PRO A 53 -23.286 3.479 -1.780 1.00 0.00 C ATOM 730 CG PRO A 53 -22.679 3.401 -0.402 1.00 0.00 C ATOM 731 CD PRO A 53 -21.183 3.205 -0.551 1.00 0.00 C ATOM 0 HA PRO A 53 -22.274 3.246 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -24.003 4.298 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.825 2.563 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -22.889 4.313 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -23.116 2.575 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -20.627 4.034 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -20.848 2.296 -0.051 1.00 0.00 H new ATOM 739 N PRO A 54 -22.072 5.606 -4.180 1.00 0.00 N ATOM 740 CA PRO A 54 -21.875 7.031 -4.522 1.00 0.00 C ATOM 741 C PRO A 54 -23.075 7.857 -4.043 1.00 0.00 C ATOM 742 O PRO A 54 -24.073 7.319 -3.605 1.00 0.00 O ATOM 743 CB PRO A 54 -21.764 7.018 -6.042 1.00 0.00 C ATOM 744 CG PRO A 54 -22.494 5.787 -6.485 1.00 0.00 C ATOM 745 CD PRO A 54 -22.476 4.803 -5.338 1.00 0.00 C ATOM 0 HA PRO A 54 -21.001 7.481 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -22.207 7.915 -6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.722 6.992 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -23.519 6.030 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -22.018 5.356 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -23.456 4.351 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -21.774 3.989 -5.522 1.00 0.00 H new ATOM 753 N THR A 55 -22.979 9.159 -4.096 1.00 0.00 N ATOM 754 CA THR A 55 -24.107 10.008 -3.613 1.00 0.00 C ATOM 755 C THR A 55 -24.766 10.779 -4.754 1.00 0.00 C ATOM 756 O THR A 55 -24.124 11.189 -5.700 1.00 0.00 O ATOM 757 CB THR A 55 -23.462 10.996 -2.642 1.00 0.00 C ATOM 758 OG1 THR A 55 -22.273 11.508 -3.221 1.00 0.00 O ATOM 759 CG2 THR A 55 -23.121 10.281 -1.338 1.00 0.00 C ATOM 0 H THR A 55 -22.171 9.670 -4.452 1.00 0.00 H new ATOM 0 HA THR A 55 -24.888 9.399 -3.157 1.00 0.00 H new ATOM 0 HB THR A 55 -24.155 11.812 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.646 11.760 -2.511 1.00 0.00 H new ATOM 0 HG21 THR A 55 -22.661 10.986 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.032 9.879 -0.894 1.00 0.00 H new ATOM 0 HG23 THR A 55 -22.426 9.466 -1.541 1.00 0.00 H new ATOM 767 N CYS A 56 -26.043 11.009 -4.643 1.00 0.00 N ATOM 768 CA CYS A 56 -26.757 11.790 -5.686 1.00 0.00 C ATOM 769 C CYS A 56 -27.233 13.094 -5.063 1.00 0.00 C ATOM 770 O CYS A 56 -28.380 13.244 -4.691 1.00 0.00 O ATOM 771 CB CYS A 56 -27.938 10.920 -6.117 1.00 0.00 C ATOM 772 SG CYS A 56 -27.350 9.605 -7.213 1.00 0.00 S ATOM 0 H CYS A 56 -26.625 10.687 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 56 -26.131 12.036 -6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -28.424 10.489 -5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.684 11.528 -6.629 1.00 0.00 H new ATOM 777 N GLN A 57 -26.341 14.027 -4.924 1.00 0.00 N ATOM 778 CA GLN A 57 -26.705 15.322 -4.297 1.00 0.00 C ATOM 779 C GLN A 57 -26.605 16.453 -5.319 1.00 0.00 C ATOM 780 O GLN A 57 -26.671 16.234 -6.511 1.00 0.00 O ATOM 781 CB GLN A 57 -25.698 15.549 -3.156 1.00 0.00 C ATOM 782 CG GLN A 57 -24.659 14.421 -3.079 1.00 0.00 C ATOM 783 CD GLN A 57 -23.918 14.500 -1.742 1.00 0.00 C ATOM 784 OE1 GLN A 57 -23.333 13.531 -1.301 1.00 0.00 O ATOM 785 NE2 GLN A 57 -23.919 15.621 -1.073 1.00 0.00 N ATOM 0 H GLN A 57 -25.368 13.948 -5.220 1.00 0.00 H new ATOM 0 HA GLN A 57 -27.730 15.306 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -25.190 16.502 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -26.232 15.617 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -25.150 13.453 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -23.952 14.506 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -24.410 16.435 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -23.429 15.683 -0.181 1.00 0.00 H new ATOM 794 N ILE A 58 -26.434 17.661 -4.858 1.00 0.00 N ATOM 795 CA ILE A 58 -26.314 18.805 -5.796 1.00 0.00 C ATOM 796 C ILE A 58 -24.869 19.292 -5.766 1.00 0.00 C ATOM 797 O ILE A 58 -24.244 19.329 -4.725 1.00 0.00 O ATOM 798 CB ILE A 58 -27.270 19.895 -5.281 1.00 0.00 C ATOM 799 CG1 ILE A 58 -28.313 19.311 -4.316 1.00 0.00 C ATOM 800 CG2 ILE A 58 -28.000 20.509 -6.470 1.00 0.00 C ATOM 801 CD1 ILE A 58 -27.788 19.392 -2.882 1.00 0.00 C ATOM 0 H ILE A 58 -26.372 17.903 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 58 -26.569 18.538 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 58 -26.684 20.644 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -29.251 19.860 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -28.525 18.275 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -28.681 21.284 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -27.275 20.948 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -28.567 19.735 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -28.529 18.977 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -26.862 18.823 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -27.598 20.433 -2.622 1.00 0.00 H new ATOM 813 N VAL A 59 -24.315 19.637 -6.889 1.00 0.00 N ATOM 814 CA VAL A 59 -22.896 20.082 -6.886 1.00 0.00 C ATOM 815 C VAL A 59 -22.722 21.386 -7.631 1.00 0.00 C ATOM 816 O VAL A 59 -21.879 21.510 -8.498 1.00 0.00 O ATOM 817 CB VAL A 59 -22.153 18.989 -7.618 1.00 0.00 C ATOM 818 CG1 VAL A 59 -22.308 17.662 -6.876 1.00 0.00 C ATOM 819 CG2 VAL A 59 -22.739 18.879 -9.007 1.00 0.00 C ATOM 0 H VAL A 59 -24.775 19.631 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 59 -22.536 20.248 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.090 19.225 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.769 16.881 -7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.902 17.758 -5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -23.364 17.399 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -22.220 18.096 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -23.798 18.633 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -22.621 19.829 -9.528 1.00 0.00 H new ATOM 829 N LYS A 60 -23.476 22.365 -7.290 1.00 0.00 N ATOM 830 CA LYS A 60 -23.298 23.666 -7.982 1.00 0.00 C ATOM 831 C LYS A 60 -22.120 24.383 -7.321 1.00 0.00 C ATOM 832 O LYS A 60 -21.614 23.930 -6.317 1.00 0.00 O ATOM 833 CB LYS A 60 -24.607 24.430 -7.772 1.00 0.00 C ATOM 834 CG LYS A 60 -25.418 24.424 -9.070 1.00 0.00 C ATOM 835 CD LYS A 60 -26.276 23.159 -9.133 1.00 0.00 C ATOM 836 CE LYS A 60 -26.524 22.780 -10.595 1.00 0.00 C ATOM 837 NZ LYS A 60 -27.261 21.487 -10.538 1.00 0.00 N ATOM 0 H LYS A 60 -24.202 22.335 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 60 -23.087 23.572 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -25.183 23.971 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -24.397 25.455 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -26.053 25.309 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -24.749 24.465 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -25.775 22.341 -8.615 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -27.225 23.325 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -27.108 23.545 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -25.586 22.676 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -27.467 21.162 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -26.678 20.776 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -28.153 21.618 -10.019 1.00 0.00 H new ATOM 851 N CYS A 61 -21.649 25.470 -7.861 1.00 0.00 N ATOM 852 CA CYS A 61 -20.478 26.133 -7.212 1.00 0.00 C ATOM 853 C CYS A 61 -20.573 27.655 -7.222 1.00 0.00 C ATOM 854 O CYS A 61 -21.351 28.239 -7.949 1.00 0.00 O ATOM 855 CB CYS A 61 -19.276 25.677 -8.027 1.00 0.00 C ATOM 856 SG CYS A 61 -18.917 23.957 -7.623 1.00 0.00 S ATOM 0 H CYS A 61 -22.010 25.922 -8.701 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.417 25.858 -6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -19.482 25.779 -9.092 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.412 26.304 -7.808 1.00 0.00 H new ATOM 861 N PRO A 62 -19.740 28.235 -6.399 1.00 0.00 N ATOM 862 CA PRO A 62 -19.666 29.710 -6.274 1.00 0.00 C ATOM 863 C PRO A 62 -19.070 30.326 -7.537 1.00 0.00 C ATOM 864 O PRO A 62 -19.775 30.733 -8.439 1.00 0.00 O ATOM 865 CB PRO A 62 -18.729 29.920 -5.084 1.00 0.00 C ATOM 866 CG PRO A 62 -17.909 28.674 -5.011 1.00 0.00 C ATOM 867 CD PRO A 62 -18.788 27.560 -5.505 1.00 0.00 C ATOM 0 HA PRO A 62 -20.642 30.175 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -18.100 30.798 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -19.290 30.077 -4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.012 28.762 -5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.579 28.485 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -18.212 26.800 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -19.298 27.058 -4.683 1.00 0.00 H new ATOM 875 N HIS A 63 -17.773 30.403 -7.600 1.00 0.00 N ATOM 876 CA HIS A 63 -17.113 30.996 -8.789 1.00 0.00 C ATOM 877 C HIS A 63 -15.600 30.872 -8.647 1.00 0.00 C ATOM 878 O HIS A 63 -15.055 31.112 -7.588 1.00 0.00 O ATOM 879 CB HIS A 63 -17.516 32.462 -8.762 1.00 0.00 C ATOM 880 CG HIS A 63 -18.474 32.744 -9.886 1.00 0.00 C ATOM 881 ND1 HIS A 63 -18.873 34.030 -10.215 1.00 0.00 N ATOM 882 CD2 HIS A 63 -19.128 31.914 -10.759 1.00 0.00 C ATOM 883 CE1 HIS A 63 -19.732 33.936 -11.247 1.00 0.00 C ATOM 884 NE2 HIS A 63 -19.924 32.667 -11.618 1.00 0.00 N ATOM 0 H HIS A 63 -17.137 30.077 -6.872 1.00 0.00 H new ATOM 0 HA HIS A 63 -17.401 30.504 -9.718 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -17.980 32.704 -7.806 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -16.633 33.094 -8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -19.039 30.838 -10.778 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -20.208 34.783 -11.718 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -20.524 32.324 -12.368 1.00 0.00 H new ATOM 892 N PRO A 64 -14.966 30.500 -9.716 1.00 0.00 N ATOM 893 CA PRO A 64 -13.505 30.348 -9.698 1.00 0.00 C ATOM 894 C PRO A 64 -12.843 31.701 -9.992 1.00 0.00 C ATOM 895 O PRO A 64 -12.268 31.913 -11.040 1.00 0.00 O ATOM 896 CB PRO A 64 -13.252 29.359 -10.820 1.00 0.00 C ATOM 897 CG PRO A 64 -14.400 29.523 -11.772 1.00 0.00 C ATOM 898 CD PRO A 64 -15.536 30.184 -11.025 1.00 0.00 C ATOM 0 HA PRO A 64 -13.104 30.011 -8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.302 29.562 -11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.202 28.339 -10.439 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.102 30.130 -12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.713 28.554 -12.162 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.880 31.082 -11.537 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.395 29.519 -10.936 1.00 0.00 H new ATOM 906 N THR A 65 -12.937 32.618 -9.072 1.00 0.00 N ATOM 907 CA THR A 65 -12.332 33.973 -9.276 1.00 0.00 C ATOM 908 C THR A 65 -10.863 33.945 -8.884 1.00 0.00 C ATOM 909 O THR A 65 -10.001 34.489 -9.544 1.00 0.00 O ATOM 910 CB THR A 65 -13.082 34.885 -8.306 1.00 0.00 C ATOM 911 OG1 THR A 65 -12.503 34.766 -7.014 1.00 0.00 O ATOM 912 CG2 THR A 65 -14.555 34.486 -8.237 1.00 0.00 C ATOM 0 H THR A 65 -13.410 32.491 -8.178 1.00 0.00 H new ATOM 0 HA THR A 65 -12.404 34.302 -10.313 1.00 0.00 H new ATOM 0 HB THR A 65 -13.010 35.915 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.979 35.350 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.078 35.144 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.003 34.574 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.637 33.455 -7.892 1.00 0.00 H new ATOM 920 N ILE A 66 -10.604 33.318 -7.783 1.00 0.00 N ATOM 921 CA ILE A 66 -9.224 33.211 -7.237 1.00 0.00 C ATOM 922 C ILE A 66 -8.628 34.612 -7.051 1.00 0.00 C ATOM 923 O ILE A 66 -9.093 35.580 -7.619 1.00 0.00 O ATOM 924 CB ILE A 66 -8.381 32.325 -8.208 1.00 0.00 C ATOM 925 CG1 ILE A 66 -7.153 33.091 -8.717 1.00 0.00 C ATOM 926 CG2 ILE A 66 -9.196 31.858 -9.414 1.00 0.00 C ATOM 927 CD1 ILE A 66 -6.154 32.107 -9.324 1.00 0.00 C ATOM 0 H ILE A 66 -11.314 32.857 -7.215 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.225 32.738 -6.255 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.068 31.452 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.454 33.827 -9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.688 33.639 -7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.569 31.245 -10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -10.048 31.270 -9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.553 32.725 -9.970 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.281 32.651 -9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.845 31.388 -8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.622 31.579 -10.155 1.00 0.00 H new ATOM 939 N SER A 67 -7.612 34.721 -6.240 1.00 0.00 N ATOM 940 CA SER A 67 -6.990 36.051 -5.987 1.00 0.00 C ATOM 941 C SER A 67 -6.372 36.629 -7.263 1.00 0.00 C ATOM 942 O SER A 67 -5.261 36.305 -7.630 1.00 0.00 O ATOM 943 CB SER A 67 -5.907 35.782 -4.945 1.00 0.00 C ATOM 944 OG SER A 67 -5.489 37.015 -4.373 1.00 0.00 O ATOM 0 H SER A 67 -7.184 33.942 -5.739 1.00 0.00 H new ATOM 0 HA SER A 67 -7.725 36.781 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.289 35.119 -4.169 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.059 35.276 -5.407 1.00 0.00 H new ATOM 0 HG SER A 67 -5.134 37.598 -5.076 1.00 0.00 H new ATOM 950 N ASN A 68 -7.079 37.501 -7.926 1.00 0.00 N ATOM 951 CA ASN A 68 -6.536 38.130 -9.166 1.00 0.00 C ATOM 952 C ASN A 68 -5.876 37.087 -10.075 1.00 0.00 C ATOM 953 O ASN A 68 -4.747 37.248 -10.491 1.00 0.00 O ATOM 954 CB ASN A 68 -5.491 39.129 -8.667 1.00 0.00 C ATOM 955 CG ASN A 68 -6.060 40.547 -8.734 1.00 0.00 C ATOM 956 OD1 ASN A 68 -7.140 40.758 -9.247 1.00 0.00 O ATOM 957 ND2 ASN A 68 -5.371 41.536 -8.232 1.00 0.00 N ATOM 0 H ASN A 68 -8.015 37.808 -7.662 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.322 38.600 -9.757 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.205 38.890 -7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.589 39.060 -9.274 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.740 42.486 -8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.464 41.358 -7.801 1.00 0.00 H new ATOM 964 N GLY A 69 -6.563 36.024 -10.393 1.00 0.00 N ATOM 965 CA GLY A 69 -5.948 34.996 -11.282 1.00 0.00 C ATOM 966 C GLY A 69 -6.959 34.563 -12.342 1.00 0.00 C ATOM 967 O GLY A 69 -6.624 34.345 -13.486 1.00 0.00 O ATOM 0 H GLY A 69 -7.513 35.823 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.056 35.401 -11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.631 34.135 -10.694 1.00 0.00 H new ATOM 971 N TYR A 70 -8.187 34.431 -11.950 1.00 0.00 N ATOM 972 CA TYR A 70 -9.265 33.996 -12.890 1.00 0.00 C ATOM 973 C TYR A 70 -8.808 32.882 -13.810 1.00 0.00 C ATOM 974 O TYR A 70 -7.708 32.374 -13.732 1.00 0.00 O ATOM 975 CB TYR A 70 -9.685 35.218 -13.706 1.00 0.00 C ATOM 976 CG TYR A 70 -8.694 35.501 -14.812 1.00 0.00 C ATOM 977 CD1 TYR A 70 -8.838 34.873 -16.055 1.00 0.00 C ATOM 978 CD2 TYR A 70 -7.645 36.404 -14.604 1.00 0.00 C ATOM 979 CE1 TYR A 70 -7.933 35.145 -17.087 1.00 0.00 C ATOM 980 CE2 TYR A 70 -6.742 36.678 -15.637 1.00 0.00 C ATOM 981 CZ TYR A 70 -6.885 36.049 -16.879 1.00 0.00 C ATOM 982 OH TYR A 70 -5.995 36.320 -17.898 1.00 0.00 O ATOM 0 H TYR A 70 -8.504 34.609 -10.997 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.102 33.598 -12.317 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.674 35.051 -14.133 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.763 36.087 -13.052 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.648 34.178 -16.218 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.533 36.889 -13.646 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.043 34.657 -18.044 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.934 37.376 -15.476 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.330 36.969 -17.587 1.00 0.00 H new ATOM 992 N LEU A 71 -9.682 32.497 -14.677 1.00 0.00 N ATOM 993 CA LEU A 71 -9.365 31.397 -15.624 1.00 0.00 C ATOM 994 C LEU A 71 -9.718 31.816 -17.058 1.00 0.00 C ATOM 995 O LEU A 71 -10.558 32.663 -17.283 1.00 0.00 O ATOM 996 CB LEU A 71 -10.187 30.178 -15.131 1.00 0.00 C ATOM 997 CG LEU A 71 -11.645 30.548 -14.802 1.00 0.00 C ATOM 998 CD1 LEU A 71 -11.710 31.296 -13.479 1.00 0.00 C ATOM 999 CD2 LEU A 71 -12.244 31.416 -15.896 1.00 0.00 C ATOM 0 H LEU A 71 -10.615 32.897 -14.777 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.304 31.149 -15.647 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.176 29.402 -15.896 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.713 29.758 -14.244 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.218 29.624 -14.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.746 31.553 -13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.314 30.664 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.117 32.208 -13.547 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.274 31.664 -15.641 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.663 32.333 -15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.225 30.874 -16.842 1.00 0.00 H new ATOM 1011 N SER A 72 -9.057 31.260 -18.034 1.00 0.00 N ATOM 1012 CA SER A 72 -9.349 31.665 -19.439 1.00 0.00 C ATOM 1013 C SER A 72 -9.995 30.512 -20.214 1.00 0.00 C ATOM 1014 O SER A 72 -10.464 30.684 -21.321 1.00 0.00 O ATOM 1015 CB SER A 72 -7.988 32.020 -20.039 1.00 0.00 C ATOM 1016 OG SER A 72 -7.987 31.704 -21.426 1.00 0.00 O ATOM 0 H SER A 72 -8.334 30.549 -17.923 1.00 0.00 H new ATOM 0 HA SER A 72 -10.049 32.499 -19.485 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.781 33.080 -19.896 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.198 31.469 -19.528 1.00 0.00 H new ATOM 0 HG SER A 72 -8.910 31.656 -21.751 1.00 0.00 H new ATOM 1022 N SER A 73 -10.022 29.339 -19.644 1.00 0.00 N ATOM 1023 CA SER A 73 -10.637 28.180 -20.356 1.00 0.00 C ATOM 1024 C SER A 73 -12.078 28.505 -20.751 1.00 0.00 C ATOM 1025 O SER A 73 -12.389 28.680 -21.913 1.00 0.00 O ATOM 1026 CB SER A 73 -10.598 27.031 -19.351 1.00 0.00 C ATOM 1027 OG SER A 73 -10.912 25.814 -20.015 1.00 0.00 O ATOM 0 H SER A 73 -9.646 29.132 -18.719 1.00 0.00 H new ATOM 0 HA SER A 73 -10.107 27.932 -21.276 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.610 26.965 -18.895 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.309 27.213 -18.546 1.00 0.00 H new ATOM 0 HG SER A 73 -10.886 25.075 -19.372 1.00 0.00 H new ATOM 1033 N GLY A 74 -12.960 28.588 -19.796 1.00 0.00 N ATOM 1034 CA GLY A 74 -14.379 28.902 -20.120 1.00 0.00 C ATOM 1035 C GLY A 74 -15.209 28.928 -18.837 1.00 0.00 C ATOM 1036 O GLY A 74 -15.579 27.902 -18.302 1.00 0.00 O ATOM 0 H GLY A 74 -12.760 28.452 -18.805 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.442 29.866 -20.624 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.778 28.156 -20.807 1.00 0.00 H new ATOM 1040 N PHE A 75 -15.506 30.097 -18.340 1.00 0.00 N ATOM 1041 CA PHE A 75 -16.315 30.195 -17.092 1.00 0.00 C ATOM 1042 C PHE A 75 -17.784 30.474 -17.439 1.00 0.00 C ATOM 1043 O PHE A 75 -18.090 31.178 -18.380 1.00 0.00 O ATOM 1044 CB PHE A 75 -15.679 31.356 -16.301 1.00 0.00 C ATOM 1045 CG PHE A 75 -16.739 32.246 -15.680 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -17.525 33.076 -16.492 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -16.932 32.240 -14.294 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -18.504 33.896 -15.916 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -17.910 33.060 -13.719 1.00 0.00 C ATOM 1050 CZ PHE A 75 -18.696 33.887 -14.530 1.00 0.00 C ATOM 0 H PHE A 75 -15.223 30.990 -18.745 1.00 0.00 H new ATOM 0 HA PHE A 75 -16.313 29.274 -16.509 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -15.034 30.956 -15.519 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -15.047 31.947 -16.964 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.376 33.083 -17.562 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.326 31.602 -13.668 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -19.110 34.535 -16.541 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.058 33.055 -12.649 1.00 0.00 H new ATOM 0 HZ PHE A 75 -19.451 34.519 -14.086 1.00 0.00 H new ATOM 1060 N LYS A 76 -18.687 29.936 -16.672 1.00 0.00 N ATOM 1061 CA LYS A 76 -20.134 30.172 -16.929 1.00 0.00 C ATOM 1062 C LYS A 76 -20.798 30.702 -15.654 1.00 0.00 C ATOM 1063 O LYS A 76 -20.235 30.633 -14.579 1.00 0.00 O ATOM 1064 CB LYS A 76 -20.696 28.799 -17.304 1.00 0.00 C ATOM 1065 CG LYS A 76 -22.219 28.810 -17.153 1.00 0.00 C ATOM 1066 CD LYS A 76 -22.779 27.438 -17.529 1.00 0.00 C ATOM 1067 CE LYS A 76 -23.924 27.613 -18.530 1.00 0.00 C ATOM 1068 NZ LYS A 76 -25.021 28.249 -17.749 1.00 0.00 N ATOM 0 H LYS A 76 -18.484 29.338 -15.871 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.311 30.906 -17.715 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -20.424 28.551 -18.330 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.262 28.030 -16.665 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -22.491 29.057 -16.127 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -22.653 29.579 -17.792 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -21.994 26.819 -17.963 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -23.136 26.922 -16.638 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -23.622 28.239 -19.370 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -24.238 26.654 -18.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -25.922 28.128 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -25.086 27.801 -16.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -24.822 29.263 -17.634 1.00 0.00 H new ATOM 1082 N ARG A 77 -21.986 31.231 -15.759 1.00 0.00 N ATOM 1083 CA ARG A 77 -22.670 31.760 -14.543 1.00 0.00 C ATOM 1084 C ARG A 77 -22.772 30.665 -13.482 1.00 0.00 C ATOM 1085 O ARG A 77 -22.320 30.820 -12.366 1.00 0.00 O ATOM 1086 CB ARG A 77 -24.059 32.184 -15.018 1.00 0.00 C ATOM 1087 CG ARG A 77 -24.024 33.651 -15.448 1.00 0.00 C ATOM 1088 CD ARG A 77 -24.867 33.832 -16.712 1.00 0.00 C ATOM 1089 NE ARG A 77 -26.253 34.063 -16.219 1.00 0.00 N ATOM 1090 CZ ARG A 77 -27.133 34.631 -16.996 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -27.037 35.903 -17.267 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -28.107 33.927 -17.505 1.00 0.00 N ATOM 0 H ARG A 77 -22.511 31.320 -16.629 1.00 0.00 H new ATOM 0 HA ARG A 77 -22.128 32.591 -14.091 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -24.377 31.557 -15.851 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -24.787 32.045 -14.218 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -24.407 34.285 -14.648 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -22.996 33.962 -15.636 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -24.513 34.675 -17.305 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -24.817 32.950 -17.350 1.00 0.00 H new ATOM 0 HE ARG A 77 -26.514 33.777 -15.275 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -26.274 36.453 -16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -27.725 36.348 -17.875 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -28.180 32.932 -17.295 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -28.795 34.372 -18.113 1.00 0.00 H new ATOM 1106 N SER A 78 -23.360 29.557 -13.829 1.00 0.00 N ATOM 1107 CA SER A 78 -23.491 28.443 -12.849 1.00 0.00 C ATOM 1108 C SER A 78 -22.390 27.407 -13.086 1.00 0.00 C ATOM 1109 O SER A 78 -21.666 27.470 -14.059 1.00 0.00 O ATOM 1110 CB SER A 78 -24.867 27.836 -13.121 1.00 0.00 C ATOM 1111 OG SER A 78 -25.432 27.389 -11.896 1.00 0.00 O ATOM 0 H SER A 78 -23.757 29.373 -14.750 1.00 0.00 H new ATOM 0 HA SER A 78 -23.394 28.783 -11.818 1.00 0.00 H new ATOM 0 HB2 SER A 78 -25.518 28.576 -13.587 1.00 0.00 H new ATOM 0 HB3 SER A 78 -24.779 27.004 -13.819 1.00 0.00 H new ATOM 0 HG SER A 78 -26.316 27.000 -12.066 1.00 0.00 H new ATOM 1117 N TYR A 79 -22.256 26.456 -12.205 1.00 0.00 N ATOM 1118 CA TYR A 79 -21.198 25.421 -12.386 1.00 0.00 C ATOM 1119 C TYR A 79 -21.691 24.066 -11.875 1.00 0.00 C ATOM 1120 O TYR A 79 -22.803 23.939 -11.403 1.00 0.00 O ATOM 1121 CB TYR A 79 -20.020 25.912 -11.547 1.00 0.00 C ATOM 1122 CG TYR A 79 -19.221 26.912 -12.343 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -18.435 26.481 -13.418 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -19.261 28.270 -12.004 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -17.689 27.407 -14.154 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -18.515 29.197 -12.742 1.00 0.00 C ATOM 1127 CZ TYR A 79 -17.729 28.765 -13.816 1.00 0.00 C ATOM 1128 OH TYR A 79 -16.994 29.679 -14.543 1.00 0.00 O ATOM 0 H TYR A 79 -22.831 26.350 -11.369 1.00 0.00 H new ATOM 0 HA TYR A 79 -20.927 25.286 -13.433 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -20.381 26.369 -10.626 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -19.388 25.071 -11.260 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.405 25.433 -13.679 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -19.867 28.602 -11.174 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.082 27.075 -14.983 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -18.546 30.245 -12.482 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.451 30.546 -14.536 1.00 0.00 H new ATOM 1138 N SER A 80 -20.874 23.051 -11.962 1.00 0.00 N ATOM 1139 CA SER A 80 -21.312 21.714 -11.476 1.00 0.00 C ATOM 1140 C SER A 80 -20.102 20.817 -11.167 1.00 0.00 C ATOM 1141 O SER A 80 -18.969 21.183 -11.380 1.00 0.00 O ATOM 1142 CB SER A 80 -22.151 21.137 -12.609 1.00 0.00 C ATOM 1143 OG SER A 80 -23.515 21.488 -12.409 1.00 0.00 O ATOM 0 H SER A 80 -19.930 23.090 -12.346 1.00 0.00 H new ATOM 0 HA SER A 80 -21.879 21.782 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 80 -21.802 21.521 -13.568 1.00 0.00 H new ATOM 0 HB3 SER A 80 -22.043 20.053 -12.641 1.00 0.00 H new ATOM 0 HG SER A 80 -23.569 22.394 -12.040 1.00 0.00 H new ATOM 1149 N TYR A 81 -20.361 19.649 -10.659 1.00 0.00 N ATOM 1150 CA TYR A 81 -19.281 18.683 -10.284 1.00 0.00 C ATOM 1151 C TYR A 81 -18.130 18.701 -11.301 1.00 0.00 C ATOM 1152 O TYR A 81 -17.005 18.377 -10.976 1.00 0.00 O ATOM 1153 CB TYR A 81 -20.007 17.330 -10.225 1.00 0.00 C ATOM 1154 CG TYR A 81 -19.112 16.203 -10.692 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -17.841 16.043 -10.130 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -19.561 15.314 -11.676 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -17.017 14.994 -10.551 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -18.735 14.265 -12.099 1.00 0.00 C ATOM 1159 CZ TYR A 81 -17.464 14.105 -11.536 1.00 0.00 C ATOM 1160 OH TYR A 81 -16.652 13.071 -11.952 1.00 0.00 O ATOM 0 H TYR A 81 -21.305 19.308 -10.480 1.00 0.00 H new ATOM 0 HA TYR A 81 -18.799 18.925 -9.337 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -20.336 17.136 -9.204 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -20.902 17.368 -10.847 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -17.496 16.729 -9.371 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -20.543 15.437 -12.108 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -16.036 14.870 -10.116 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -19.079 13.580 -12.860 1.00 0.00 H new ATOM 0 HH TYR A 81 -17.115 12.548 -12.639 1.00 0.00 H new ATOM 1170 N ASN A 82 -18.387 19.089 -12.519 1.00 0.00 N ATOM 1171 CA ASN A 82 -17.285 19.133 -13.524 1.00 0.00 C ATOM 1172 C ASN A 82 -17.057 20.573 -13.992 1.00 0.00 C ATOM 1173 O ASN A 82 -16.774 21.448 -13.197 1.00 0.00 O ATOM 1174 CB ASN A 82 -17.753 18.246 -14.671 1.00 0.00 C ATOM 1175 CG ASN A 82 -16.577 17.948 -15.604 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -15.457 18.331 -15.331 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -16.786 17.272 -16.702 1.00 0.00 N ATOM 0 H ASN A 82 -19.304 19.376 -12.861 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.336 18.785 -13.117 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -18.164 17.316 -14.280 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -18.552 18.740 -15.223 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.009 17.066 -17.330 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.726 16.950 -16.932 1.00 0.00 H new ATOM 1184 N ASP A 83 -17.157 20.836 -15.267 1.00 0.00 N ATOM 1185 CA ASP A 83 -16.918 22.222 -15.745 1.00 0.00 C ATOM 1186 C ASP A 83 -15.578 22.708 -15.206 1.00 0.00 C ATOM 1187 O ASP A 83 -15.514 23.544 -14.326 1.00 0.00 O ATOM 1188 CB ASP A 83 -18.068 23.052 -15.174 1.00 0.00 C ATOM 1189 CG ASP A 83 -19.352 22.747 -15.948 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -20.032 21.802 -15.581 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -19.635 23.464 -16.894 1.00 0.00 O ATOM 0 H ASP A 83 -17.392 20.156 -15.990 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.883 22.296 -16.832 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -18.205 22.824 -14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.833 24.114 -15.243 1.00 0.00 H new ATOM 1196 N ASN A 84 -14.507 22.172 -15.716 1.00 0.00 N ATOM 1197 CA ASN A 84 -13.169 22.582 -15.221 1.00 0.00 C ATOM 1198 C ASN A 84 -12.820 23.995 -15.697 1.00 0.00 C ATOM 1199 O ASN A 84 -13.274 24.445 -16.731 1.00 0.00 O ATOM 1200 CB ASN A 84 -12.196 21.563 -15.812 1.00 0.00 C ATOM 1201 CG ASN A 84 -12.198 21.679 -17.337 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -11.440 22.442 -17.901 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -13.025 20.948 -18.033 1.00 0.00 N ATOM 0 H ASN A 84 -14.502 21.468 -16.454 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.130 22.604 -14.132 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.192 21.737 -15.425 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.483 20.555 -15.513 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.035 21.017 -19.051 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.662 20.307 -17.559 1.00 0.00 H new ATOM 1210 N VAL A 85 -12.009 24.694 -14.951 1.00 0.00 N ATOM 1211 CA VAL A 85 -11.615 26.073 -15.353 1.00 0.00 C ATOM 1212 C VAL A 85 -10.100 26.252 -15.219 1.00 0.00 C ATOM 1213 O VAL A 85 -9.541 26.106 -14.150 1.00 0.00 O ATOM 1214 CB VAL A 85 -12.337 27.027 -14.401 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -13.728 27.337 -14.955 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -12.464 26.413 -13.003 1.00 0.00 C ATOM 0 H VAL A 85 -11.600 24.367 -14.076 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.883 26.269 -16.391 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.756 27.945 -14.320 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -14.246 28.017 -14.279 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.633 27.803 -15.936 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.298 26.412 -15.046 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.981 27.111 -12.345 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.031 25.484 -13.064 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.471 26.207 -12.605 1.00 0.00 H new ATOM 1226 N ASP A 86 -9.435 26.580 -16.290 1.00 0.00 N ATOM 1227 CA ASP A 86 -7.956 26.785 -16.220 1.00 0.00 C ATOM 1228 C ASP A 86 -7.672 28.194 -15.698 1.00 0.00 C ATOM 1229 O ASP A 86 -8.129 29.172 -16.254 1.00 0.00 O ATOM 1230 CB ASP A 86 -7.455 26.622 -17.654 1.00 0.00 C ATOM 1231 CG ASP A 86 -6.107 25.899 -17.645 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -5.835 25.205 -16.679 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -5.369 26.051 -18.605 1.00 0.00 O ATOM 0 H ASP A 86 -9.848 26.716 -17.212 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.462 26.081 -15.551 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.179 26.057 -18.241 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.353 27.598 -18.128 1.00 0.00 H new ATOM 1238 N PHE A 87 -6.955 28.307 -14.616 1.00 0.00 N ATOM 1239 CA PHE A 87 -6.691 29.657 -14.043 1.00 0.00 C ATOM 1240 C PHE A 87 -5.561 30.387 -14.763 1.00 0.00 C ATOM 1241 O PHE A 87 -4.503 29.849 -15.023 1.00 0.00 O ATOM 1242 CB PHE A 87 -6.376 29.394 -12.575 1.00 0.00 C ATOM 1243 CG PHE A 87 -7.694 29.124 -11.906 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -8.703 30.084 -11.991 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -7.934 27.912 -11.253 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -9.952 29.839 -11.434 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -9.189 27.673 -10.682 1.00 0.00 C ATOM 1248 CZ PHE A 87 -10.196 28.642 -10.781 1.00 0.00 C ATOM 0 H PHE A 87 -6.542 27.527 -14.105 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.546 30.323 -14.161 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.703 28.543 -12.467 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.879 30.253 -12.124 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.512 31.022 -12.492 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.156 27.165 -11.189 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -10.732 30.582 -11.510 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.381 26.744 -10.166 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.167 28.455 -10.346 1.00 0.00 H new ATOM 1258 N LYS A 88 -5.811 31.625 -15.092 1.00 0.00 N ATOM 1259 CA LYS A 88 -4.807 32.454 -15.810 1.00 0.00 C ATOM 1260 C LYS A 88 -4.381 33.636 -14.936 1.00 0.00 C ATOM 1261 O LYS A 88 -4.951 34.705 -15.013 1.00 0.00 O ATOM 1262 CB LYS A 88 -5.563 32.956 -17.035 1.00 0.00 C ATOM 1263 CG LYS A 88 -4.719 32.729 -18.290 1.00 0.00 C ATOM 1264 CD LYS A 88 -3.550 33.717 -18.303 1.00 0.00 C ATOM 1265 CE LYS A 88 -2.769 33.572 -19.612 1.00 0.00 C ATOM 1266 NZ LYS A 88 -1.455 34.231 -19.358 1.00 0.00 N ATOM 0 H LYS A 88 -6.688 32.104 -14.888 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.902 31.902 -16.064 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.515 32.434 -17.126 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.790 34.016 -16.925 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.345 31.706 -18.309 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.331 32.861 -19.182 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.921 34.737 -18.200 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.893 33.530 -17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.639 32.523 -19.879 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.295 34.048 -20.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.865 34.171 -20.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.609 35.230 -19.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.973 33.752 -18.570 1.00 0.00 H new ATOM 1280 N CYS A 89 -3.392 33.450 -14.104 1.00 0.00 N ATOM 1281 CA CYS A 89 -2.937 34.560 -13.212 1.00 0.00 C ATOM 1282 C CYS A 89 -3.021 35.915 -13.922 1.00 0.00 C ATOM 1283 O CYS A 89 -2.565 36.074 -15.038 1.00 0.00 O ATOM 1284 CB CYS A 89 -1.486 34.231 -12.873 1.00 0.00 C ATOM 1285 SG CYS A 89 -1.259 34.336 -11.083 1.00 0.00 S ATOM 0 H CYS A 89 -2.877 32.575 -14.002 1.00 0.00 H new ATOM 0 HA CYS A 89 -3.564 34.638 -12.324 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.235 33.231 -13.226 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.815 34.925 -13.379 1.00 0.00 H new ATOM 1290 N LYS A 90 -3.606 36.890 -13.277 1.00 0.00 N ATOM 1291 CA LYS A 90 -3.731 38.243 -13.901 1.00 0.00 C ATOM 1292 C LYS A 90 -2.461 38.607 -14.682 1.00 0.00 C ATOM 1293 O LYS A 90 -2.324 38.278 -15.844 1.00 0.00 O ATOM 1294 CB LYS A 90 -3.934 39.201 -12.725 1.00 0.00 C ATOM 1295 CG LYS A 90 -5.419 39.259 -12.366 1.00 0.00 C ATOM 1296 CD LYS A 90 -5.965 40.655 -12.671 1.00 0.00 C ATOM 1297 CE LYS A 90 -6.213 40.789 -14.176 1.00 0.00 C ATOM 1298 NZ LYS A 90 -6.746 42.168 -14.356 1.00 0.00 N ATOM 0 H LYS A 90 -4.004 36.808 -12.342 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.553 38.287 -14.616 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.354 38.866 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.573 40.196 -12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.971 38.509 -12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.558 39.025 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.892 40.822 -12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.257 41.414 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.293 40.644 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.924 40.042 -14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.941 42.336 -15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.625 42.274 -13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.044 42.858 -14.019 1.00 0.00 H new ATOM 1312 N TYR A 91 -1.536 39.291 -14.060 1.00 0.00 N ATOM 1313 CA TYR A 91 -0.285 39.681 -14.776 1.00 0.00 C ATOM 1314 C TYR A 91 0.870 39.843 -13.780 1.00 0.00 C ATOM 1315 O TYR A 91 0.811 40.649 -12.873 1.00 0.00 O ATOM 1316 CB TYR A 91 -0.621 41.021 -15.436 1.00 0.00 C ATOM 1317 CG TYR A 91 0.571 41.521 -16.218 1.00 0.00 C ATOM 1318 CD1 TYR A 91 0.967 40.865 -17.391 1.00 0.00 C ATOM 1319 CD2 TYR A 91 1.278 42.643 -15.771 1.00 0.00 C ATOM 1320 CE1 TYR A 91 2.070 41.332 -18.116 1.00 0.00 C ATOM 1321 CE2 TYR A 91 2.381 43.110 -16.496 1.00 0.00 C ATOM 1322 CZ TYR A 91 2.777 42.455 -17.668 1.00 0.00 C ATOM 1323 OH TYR A 91 3.865 42.914 -18.382 1.00 0.00 O ATOM 0 H TYR A 91 -1.593 39.596 -13.088 1.00 0.00 H new ATOM 0 HA TYR A 91 0.031 38.932 -15.502 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.479 40.905 -16.098 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.901 41.751 -14.676 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.421 39.999 -17.736 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.973 43.149 -14.867 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.375 40.827 -19.020 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.926 43.976 -16.151 1.00 0.00 H new ATOM 0 HH TYR A 91 4.241 43.701 -17.935 1.00 0.00 H new ATOM 1333 N GLY A 92 1.920 39.081 -13.941 1.00 0.00 N ATOM 1334 CA GLY A 92 3.074 39.191 -13.000 1.00 0.00 C ATOM 1335 C GLY A 92 2.680 38.592 -11.649 1.00 0.00 C ATOM 1336 O GLY A 92 2.772 39.235 -10.622 1.00 0.00 O ATOM 0 H GLY A 92 2.028 38.388 -14.682 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.940 38.667 -13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.361 40.235 -12.878 1.00 0.00 H new ATOM 1340 N TYR A 93 2.231 37.367 -11.648 1.00 0.00 N ATOM 1341 CA TYR A 93 1.809 36.713 -10.375 1.00 0.00 C ATOM 1342 C TYR A 93 1.819 35.191 -10.542 1.00 0.00 C ATOM 1343 O TYR A 93 1.618 34.677 -11.625 1.00 0.00 O ATOM 1344 CB TYR A 93 0.388 37.220 -10.149 1.00 0.00 C ATOM 1345 CG TYR A 93 0.425 38.678 -9.758 1.00 0.00 C ATOM 1346 CD1 TYR A 93 0.914 39.058 -8.502 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -0.029 39.652 -10.657 1.00 0.00 C ATOM 1348 CE1 TYR A 93 0.948 40.413 -8.146 1.00 0.00 C ATOM 1349 CE2 TYR A 93 0.005 41.005 -10.300 1.00 0.00 C ATOM 1350 CZ TYR A 93 0.494 41.386 -9.045 1.00 0.00 C ATOM 1351 OH TYR A 93 0.527 42.720 -8.693 1.00 0.00 O ATOM 0 H TYR A 93 2.137 36.786 -12.481 1.00 0.00 H new ATOM 0 HA TYR A 93 2.469 36.943 -9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.203 37.091 -11.056 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.097 36.636 -9.367 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.264 38.308 -7.809 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.405 39.359 -11.626 1.00 0.00 H new ATOM 0 HE1 TYR A 93 1.325 40.707 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.346 41.755 -10.993 1.00 0.00 H new ATOM 0 HH TYR A 93 0.177 43.262 -9.431 1.00 0.00 H new ATOM 1361 N LYS A 94 2.055 34.467 -9.483 1.00 0.00 N ATOM 1362 CA LYS A 94 2.080 32.979 -9.589 1.00 0.00 C ATOM 1363 C LYS A 94 0.801 32.383 -8.991 1.00 0.00 C ATOM 1364 O LYS A 94 0.309 32.836 -7.981 1.00 0.00 O ATOM 1365 CB LYS A 94 3.300 32.549 -8.775 1.00 0.00 C ATOM 1366 CG LYS A 94 4.512 32.416 -9.700 1.00 0.00 C ATOM 1367 CD LYS A 94 5.516 31.441 -9.084 1.00 0.00 C ATOM 1368 CE LYS A 94 6.426 32.191 -8.108 1.00 0.00 C ATOM 1369 NZ LYS A 94 6.740 31.202 -7.039 1.00 0.00 N ATOM 0 H LYS A 94 2.231 34.839 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 94 2.135 32.639 -10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.505 33.281 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.102 31.599 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.197 32.060 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.978 33.390 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.989 30.641 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.113 30.974 -9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.333 32.540 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.928 33.070 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.361 31.642 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.858 30.893 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.220 30.380 -7.457 1.00 0.00 H new ATOM 1383 N LEU A 95 0.257 31.369 -9.604 1.00 0.00 N ATOM 1384 CA LEU A 95 -0.989 30.758 -9.056 1.00 0.00 C ATOM 1385 C LEU A 95 -0.651 29.803 -7.909 1.00 0.00 C ATOM 1386 O LEU A 95 -0.262 28.673 -8.125 1.00 0.00 O ATOM 1387 CB LEU A 95 -1.602 29.985 -10.225 1.00 0.00 C ATOM 1388 CG LEU A 95 -2.345 30.950 -11.148 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -2.287 30.434 -12.587 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -3.805 31.060 -10.707 1.00 0.00 C ATOM 0 H LEU A 95 0.617 30.938 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.672 31.508 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.821 29.465 -10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.287 29.224 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.874 31.931 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.818 31.124 -13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.247 30.359 -12.905 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.755 29.451 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.333 31.749 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.275 30.078 -10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.849 31.432 -9.683 1.00 0.00 H new ATOM 1402 N SER A 96 -0.803 30.244 -6.690 1.00 0.00 N ATOM 1403 CA SER A 96 -0.494 29.353 -5.537 1.00 0.00 C ATOM 1404 C SER A 96 -1.687 28.433 -5.252 1.00 0.00 C ATOM 1405 O SER A 96 -2.602 28.792 -4.538 1.00 0.00 O ATOM 1406 CB SER A 96 -0.243 30.292 -4.358 1.00 0.00 C ATOM 1407 OG SER A 96 -0.422 29.578 -3.142 1.00 0.00 O ATOM 0 H SER A 96 -1.127 31.179 -6.444 1.00 0.00 H new ATOM 0 HA SER A 96 0.366 28.711 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.768 30.697 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.928 31.139 -4.400 1.00 0.00 H new ATOM 0 HG SER A 96 -0.260 30.177 -2.384 1.00 0.00 H new ATOM 1413 N GLY A 97 -1.685 27.251 -5.808 1.00 0.00 N ATOM 1414 CA GLY A 97 -2.818 26.310 -5.573 1.00 0.00 C ATOM 1415 C GLY A 97 -2.930 25.340 -6.751 1.00 0.00 C ATOM 1416 O GLY A 97 -2.233 24.347 -6.818 1.00 0.00 O ATOM 0 H GLY A 97 -0.947 26.896 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.659 25.757 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.748 26.866 -5.457 1.00 0.00 H new ATOM 1420 N SER A 98 -3.801 25.619 -7.683 1.00 0.00 N ATOM 1421 CA SER A 98 -3.954 24.711 -8.856 1.00 0.00 C ATOM 1422 C SER A 98 -4.412 25.503 -10.084 1.00 0.00 C ATOM 1423 O SER A 98 -5.440 26.149 -10.071 1.00 0.00 O ATOM 1424 CB SER A 98 -5.016 23.702 -8.439 1.00 0.00 C ATOM 1425 OG SER A 98 -5.069 22.655 -9.400 1.00 0.00 O ATOM 0 H SER A 98 -4.413 26.435 -7.683 1.00 0.00 H new ATOM 0 HA SER A 98 -3.017 24.225 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.783 23.297 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.988 24.190 -8.361 1.00 0.00 H new ATOM 0 HG SER A 98 -5.772 22.848 -10.055 1.00 0.00 H new ATOM 1431 N SER A 99 -3.653 25.458 -11.147 1.00 0.00 N ATOM 1432 CA SER A 99 -4.038 26.208 -12.378 1.00 0.00 C ATOM 1433 C SER A 99 -5.410 25.751 -12.874 1.00 0.00 C ATOM 1434 O SER A 99 -6.334 26.531 -12.988 1.00 0.00 O ATOM 1435 CB SER A 99 -2.958 25.863 -13.401 1.00 0.00 C ATOM 1436 OG SER A 99 -2.946 24.458 -13.613 1.00 0.00 O ATOM 0 H SER A 99 -2.781 24.933 -11.216 1.00 0.00 H new ATOM 0 HA SER A 99 -4.109 27.281 -12.201 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.150 26.383 -14.340 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.983 26.197 -13.045 1.00 0.00 H new ATOM 0 HG SER A 99 -3.403 24.250 -14.455 1.00 0.00 H new ATOM 1442 N SER A 100 -5.545 24.492 -13.172 1.00 0.00 N ATOM 1443 CA SER A 100 -6.855 23.977 -13.664 1.00 0.00 C ATOM 1444 C SER A 100 -7.701 23.477 -12.490 1.00 0.00 C ATOM 1445 O SER A 100 -7.207 22.838 -11.582 1.00 0.00 O ATOM 1446 CB SER A 100 -6.500 22.822 -14.599 1.00 0.00 C ATOM 1447 OG SER A 100 -6.114 21.694 -13.825 1.00 0.00 O ATOM 0 H SER A 100 -4.805 23.794 -13.097 1.00 0.00 H new ATOM 0 HA SER A 100 -7.438 24.747 -14.170 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.355 22.571 -15.227 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.689 23.115 -15.266 1.00 0.00 H new ATOM 0 HG SER A 100 -5.887 20.950 -14.421 1.00 0.00 H new ATOM 1453 N SER A 101 -8.972 23.764 -12.505 1.00 0.00 N ATOM 1454 CA SER A 101 -9.857 23.309 -11.395 1.00 0.00 C ATOM 1455 C SER A 101 -11.230 22.952 -11.939 1.00 0.00 C ATOM 1456 O SER A 101 -11.540 23.214 -13.078 1.00 0.00 O ATOM 1457 CB SER A 101 -9.951 24.497 -10.443 1.00 0.00 C ATOM 1458 OG SER A 101 -8.658 24.791 -9.931 1.00 0.00 O ATOM 0 H SER A 101 -9.438 24.296 -13.240 1.00 0.00 H new ATOM 0 HA SER A 101 -9.469 22.422 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.354 25.365 -10.965 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.636 24.270 -9.626 1.00 0.00 H new ATOM 0 HG SER A 101 -8.326 25.619 -10.336 1.00 0.00 H new ATOM 1464 N THR A 102 -12.052 22.350 -11.134 1.00 0.00 N ATOM 1465 CA THR A 102 -13.403 21.972 -11.612 1.00 0.00 C ATOM 1466 C THR A 102 -14.409 22.040 -10.466 1.00 0.00 C ATOM 1467 O THR A 102 -14.157 21.568 -9.374 1.00 0.00 O ATOM 1468 CB THR A 102 -13.259 20.542 -12.124 1.00 0.00 C ATOM 1469 OG1 THR A 102 -11.992 20.387 -12.748 1.00 0.00 O ATOM 1470 CG2 THR A 102 -14.369 20.261 -13.134 1.00 0.00 C ATOM 0 H THR A 102 -11.847 22.103 -10.166 1.00 0.00 H new ATOM 0 HA THR A 102 -13.768 22.644 -12.389 1.00 0.00 H new ATOM 0 HB THR A 102 -13.335 19.842 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 102 -11.899 19.468 -13.076 1.00 0.00 H new ATOM 0 HG21 THR A 102 -14.273 19.241 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.339 20.382 -12.652 1.00 0.00 H new ATOM 0 HG23 THR A 102 -14.288 20.959 -13.967 1.00 0.00 H new ATOM 1478 N CYS A 103 -15.548 22.624 -10.709 1.00 0.00 N ATOM 1479 CA CYS A 103 -16.574 22.721 -9.640 1.00 0.00 C ATOM 1480 C CYS A 103 -16.875 21.320 -9.090 1.00 0.00 C ATOM 1481 O CYS A 103 -17.760 20.634 -9.550 1.00 0.00 O ATOM 1482 CB CYS A 103 -17.795 23.332 -10.331 1.00 0.00 C ATOM 1483 SG CYS A 103 -19.279 22.996 -9.354 1.00 0.00 S ATOM 0 H CYS A 103 -15.811 23.038 -11.603 1.00 0.00 H new ATOM 0 HA CYS A 103 -16.257 23.326 -8.790 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -17.660 24.407 -10.446 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -17.905 22.915 -11.332 1.00 0.00 H new ATOM 1488 N SER A 104 -16.126 20.886 -8.122 1.00 0.00 N ATOM 1489 CA SER A 104 -16.340 19.520 -7.554 1.00 0.00 C ATOM 1490 C SER A 104 -17.780 19.289 -7.127 1.00 0.00 C ATOM 1491 O SER A 104 -18.595 20.190 -7.122 1.00 0.00 O ATOM 1492 CB SER A 104 -15.396 19.443 -6.352 1.00 0.00 C ATOM 1493 OG SER A 104 -16.111 18.971 -5.216 1.00 0.00 O ATOM 0 H SER A 104 -15.368 21.417 -7.693 1.00 0.00 H new ATOM 0 HA SER A 104 -16.137 18.749 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 104 -14.562 18.776 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.972 20.426 -6.146 1.00 0.00 H new ATOM 0 HG SER A 104 -15.506 18.920 -4.447 1.00 0.00 H new ATOM 1499 N PRO A 105 -18.033 18.047 -6.807 1.00 0.00 N ATOM 1500 CA PRO A 105 -19.378 17.624 -6.398 1.00 0.00 C ATOM 1501 C PRO A 105 -19.634 17.932 -4.926 1.00 0.00 C ATOM 1502 O PRO A 105 -20.562 17.425 -4.328 1.00 0.00 O ATOM 1503 CB PRO A 105 -19.375 16.127 -6.643 1.00 0.00 C ATOM 1504 CG PRO A 105 -17.938 15.708 -6.563 1.00 0.00 C ATOM 1505 CD PRO A 105 -17.083 16.929 -6.802 1.00 0.00 C ATOM 0 HA PRO A 105 -20.163 18.144 -6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -19.977 15.607 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -19.799 15.889 -7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.721 15.276 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.723 14.940 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -16.334 17.048 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.547 16.859 -7.749 1.00 0.00 H new ATOM 1513 N GLY A 106 -18.831 18.760 -4.335 1.00 0.00 N ATOM 1514 CA GLY A 106 -19.053 19.095 -2.909 1.00 0.00 C ATOM 1515 C GLY A 106 -19.421 20.575 -2.800 1.00 0.00 C ATOM 1516 O GLY A 106 -19.417 21.149 -1.729 1.00 0.00 O ATOM 0 H GLY A 106 -18.033 19.219 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -19.850 18.477 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.155 18.886 -2.328 1.00 0.00 H new ATOM 1520 N ASN A 107 -19.738 21.190 -3.915 1.00 0.00 N ATOM 1521 CA ASN A 107 -20.117 22.636 -3.924 1.00 0.00 C ATOM 1522 C ASN A 107 -18.873 23.511 -3.813 1.00 0.00 C ATOM 1523 O ASN A 107 -18.712 24.252 -2.864 1.00 0.00 O ATOM 1524 CB ASN A 107 -21.024 22.844 -2.710 1.00 0.00 C ATOM 1525 CG ASN A 107 -22.134 23.835 -3.064 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -22.635 23.837 -4.172 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -22.541 24.685 -2.163 1.00 0.00 N ATOM 0 H ASN A 107 -19.750 20.743 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 107 -20.623 22.909 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -21.457 21.893 -2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -20.442 23.219 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -23.280 25.352 -2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -22.121 24.683 -1.234 1.00 0.00 H new ATOM 1534 N THR A 108 -17.988 23.437 -4.769 1.00 0.00 N ATOM 1535 CA THR A 108 -16.766 24.279 -4.681 1.00 0.00 C ATOM 1536 C THR A 108 -15.871 24.111 -5.903 1.00 0.00 C ATOM 1537 O THR A 108 -16.148 23.340 -6.796 1.00 0.00 O ATOM 1538 CB THR A 108 -16.046 23.787 -3.436 1.00 0.00 C ATOM 1539 OG1 THR A 108 -16.573 22.526 -3.041 1.00 0.00 O ATOM 1540 CG2 THR A 108 -16.254 24.801 -2.327 1.00 0.00 C ATOM 0 H THR A 108 -18.057 22.840 -5.593 1.00 0.00 H new ATOM 0 HA THR A 108 -17.019 25.338 -4.637 1.00 0.00 H new ATOM 0 HB THR A 108 -14.982 23.672 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 108 -16.105 22.212 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.744 24.464 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.848 25.765 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 108 -17.320 24.904 -2.124 1.00 0.00 H new ATOM 1548 N TRP A 109 -14.792 24.844 -5.932 1.00 0.00 N ATOM 1549 CA TRP A 109 -13.849 24.765 -7.079 1.00 0.00 C ATOM 1550 C TRP A 109 -12.596 23.968 -6.698 1.00 0.00 C ATOM 1551 O TRP A 109 -11.615 24.518 -6.240 1.00 0.00 O ATOM 1552 CB TRP A 109 -13.490 26.218 -7.375 1.00 0.00 C ATOM 1553 CG TRP A 109 -14.486 26.781 -8.333 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -15.316 27.828 -8.093 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -14.760 26.342 -9.689 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -16.094 28.040 -9.217 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -15.780 27.153 -10.232 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -14.224 25.321 -10.491 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -16.252 26.958 -11.530 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -14.693 25.123 -11.796 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -15.702 25.939 -12.319 1.00 0.00 C ATOM 0 H TRP A 109 -14.522 25.501 -5.200 1.00 0.00 H new ATOM 0 HA TRP A 109 -14.285 24.259 -7.940 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -13.485 26.799 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -12.487 26.279 -7.796 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -15.361 28.400 -7.178 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -16.811 28.762 -9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -13.445 24.684 -10.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -17.036 27.588 -11.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -14.273 24.335 -12.403 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -16.056 25.784 -13.328 1.00 0.00 H new ATOM 1572 N LYS A 110 -12.618 22.676 -6.896 1.00 0.00 N ATOM 1573 CA LYS A 110 -11.422 21.849 -6.556 1.00 0.00 C ATOM 1574 C LYS A 110 -10.598 21.594 -7.825 1.00 0.00 C ATOM 1575 O LYS A 110 -11.134 21.620 -8.913 1.00 0.00 O ATOM 1576 CB LYS A 110 -11.989 20.537 -6.010 1.00 0.00 C ATOM 1577 CG LYS A 110 -12.456 20.740 -4.567 1.00 0.00 C ATOM 1578 CD LYS A 110 -11.544 19.955 -3.622 1.00 0.00 C ATOM 1579 CE LYS A 110 -12.382 19.331 -2.504 1.00 0.00 C ATOM 1580 NZ LYS A 110 -13.126 20.471 -1.902 1.00 0.00 N ATOM 0 H LYS A 110 -13.410 22.159 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.766 22.335 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -12.822 20.204 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -11.230 19.756 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -12.436 21.800 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.487 20.405 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.016 19.177 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.787 20.615 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -13.064 18.577 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.751 18.837 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -13.285 20.286 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -12.571 21.344 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -14.042 20.580 -2.383 1.00 0.00 H new ATOM 1594 N PRO A 111 -9.318 21.354 -7.659 1.00 0.00 N ATOM 1595 CA PRO A 111 -8.682 21.328 -6.312 1.00 0.00 C ATOM 1596 C PRO A 111 -8.582 22.735 -5.725 1.00 0.00 C ATOM 1597 O PRO A 111 -9.082 23.692 -6.282 1.00 0.00 O ATOM 1598 CB PRO A 111 -7.286 20.777 -6.590 1.00 0.00 C ATOM 1599 CG PRO A 111 -7.021 21.122 -8.016 1.00 0.00 C ATOM 1600 CD PRO A 111 -8.345 21.081 -8.724 1.00 0.00 C ATOM 0 HA PRO A 111 -9.249 20.737 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.544 21.226 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.246 19.700 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -6.569 22.111 -8.097 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.322 20.414 -8.462 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -8.399 21.828 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.521 20.111 -9.188 1.00 0.00 H new ATOM 1608 N GLU A 112 -7.941 22.852 -4.597 1.00 0.00 N ATOM 1609 CA GLU A 112 -7.790 24.184 -3.937 1.00 0.00 C ATOM 1610 C GLU A 112 -7.590 25.287 -4.980 1.00 0.00 C ATOM 1611 O GLU A 112 -6.653 25.264 -5.752 1.00 0.00 O ATOM 1612 CB GLU A 112 -6.545 24.052 -3.059 1.00 0.00 C ATOM 1613 CG GLU A 112 -5.338 23.708 -3.934 1.00 0.00 C ATOM 1614 CD GLU A 112 -4.633 22.474 -3.368 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -4.313 22.487 -2.191 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -4.427 21.537 -4.121 1.00 0.00 O ATOM 0 H GLU A 112 -7.510 22.075 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.675 24.454 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.365 24.984 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.697 23.276 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.660 23.518 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.648 24.551 -3.968 1.00 0.00 H new ATOM 1623 N LEU A 113 -8.464 26.256 -5.002 1.00 0.00 N ATOM 1624 CA LEU A 113 -8.325 27.364 -5.988 1.00 0.00 C ATOM 1625 C LEU A 113 -6.935 27.991 -5.881 1.00 0.00 C ATOM 1626 O LEU A 113 -6.422 28.189 -4.797 1.00 0.00 O ATOM 1627 CB LEU A 113 -9.398 28.380 -5.594 1.00 0.00 C ATOM 1628 CG LEU A 113 -10.114 28.881 -6.848 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -10.772 27.702 -7.566 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -11.187 29.895 -6.447 1.00 0.00 C ATOM 0 H LEU A 113 -9.269 26.328 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.444 27.021 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.115 27.922 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.944 29.217 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 113 -9.393 29.355 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.283 28.060 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.009 26.977 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.494 27.228 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.700 30.254 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.907 29.419 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -10.720 30.735 -5.934 1.00 0.00 H new ATOM 1642 N PRO A 114 -6.374 28.287 -7.018 1.00 0.00 N ATOM 1643 CA PRO A 114 -5.028 28.907 -7.066 1.00 0.00 C ATOM 1644 C PRO A 114 -5.082 30.351 -6.556 1.00 0.00 C ATOM 1645 O PRO A 114 -6.124 30.974 -6.539 1.00 0.00 O ATOM 1646 CB PRO A 114 -4.668 28.863 -8.549 1.00 0.00 C ATOM 1647 CG PRO A 114 -5.979 28.800 -9.265 1.00 0.00 C ATOM 1648 CD PRO A 114 -6.937 28.077 -8.356 1.00 0.00 C ATOM 0 HA PRO A 114 -4.297 28.395 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -4.100 29.745 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.051 27.995 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.344 29.802 -9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.876 28.275 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.946 28.482 -8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -7.000 27.017 -8.602 1.00 0.00 H new ATOM 1656 N LYS A 115 -3.966 30.886 -6.138 1.00 0.00 N ATOM 1657 CA LYS A 115 -3.960 32.289 -5.631 1.00 0.00 C ATOM 1658 C LYS A 115 -2.907 33.119 -6.357 1.00 0.00 C ATOM 1659 O LYS A 115 -1.760 33.150 -5.971 1.00 0.00 O ATOM 1660 CB LYS A 115 -3.622 32.184 -4.144 1.00 0.00 C ATOM 1661 CG LYS A 115 -3.586 33.588 -3.537 1.00 0.00 C ATOM 1662 CD LYS A 115 -3.916 33.514 -2.045 1.00 0.00 C ATOM 1663 CE LYS A 115 -3.783 34.907 -1.425 1.00 0.00 C ATOM 1664 NZ LYS A 115 -4.455 34.803 -0.101 1.00 0.00 N ATOM 0 H LYS A 115 -3.062 30.414 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.919 32.780 -5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.365 31.572 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.658 31.692 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.600 34.031 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.302 34.233 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.929 33.136 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.243 32.816 -1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.737 35.192 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.256 35.664 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.406 35.720 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.451 34.536 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.979 34.079 0.474 1.00 0.00 H new ATOM 1678 N CYS A 116 -3.289 33.806 -7.399 1.00 0.00 N ATOM 1679 CA CYS A 116 -2.300 34.643 -8.133 1.00 0.00 C ATOM 1680 C CYS A 116 -1.464 35.427 -7.126 1.00 0.00 C ATOM 1681 O CYS A 116 -1.858 36.470 -6.642 1.00 0.00 O ATOM 1682 CB CYS A 116 -3.151 35.573 -9.002 1.00 0.00 C ATOM 1683 SG CYS A 116 -2.292 35.991 -10.546 1.00 0.00 S ATOM 0 H CYS A 116 -4.238 33.824 -7.772 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.604 34.064 -8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -4.103 35.093 -9.230 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -3.378 36.485 -8.450 1.00 0.00 H new ATOM 1688 N VAL A 117 -0.315 34.913 -6.802 1.00 0.00 N ATOM 1689 CA VAL A 117 0.568 35.593 -5.815 1.00 0.00 C ATOM 1690 C VAL A 117 1.788 36.160 -6.497 1.00 0.00 C ATOM 1691 O VAL A 117 1.910 36.148 -7.705 1.00 0.00 O ATOM 1692 CB VAL A 117 0.995 34.520 -4.816 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -0.077 34.392 -3.759 1.00 0.00 C ATOM 1694 CG2 VAL A 117 1.181 33.167 -5.511 1.00 0.00 C ATOM 0 H VAL A 117 0.056 34.042 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 117 0.046 36.418 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 117 1.946 34.810 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.213 33.629 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.200 35.347 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.019 34.108 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.485 32.420 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.241 32.862 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.949 33.255 -6.279 1.00 0.00 H new ATOM 1704 N ARG A 118 2.697 36.657 -5.724 1.00 0.00 N ATOM 1705 CA ARG A 118 3.916 37.225 -6.326 1.00 0.00 C ATOM 1706 C ARG A 118 5.116 36.307 -6.078 1.00 0.00 C ATOM 1707 O ARG A 118 4.897 35.134 -5.827 1.00 0.00 O ATOM 1708 CB ARG A 118 4.114 38.576 -5.641 1.00 0.00 C ATOM 1709 CG ARG A 118 3.181 39.610 -6.271 1.00 0.00 C ATOM 1710 CD ARG A 118 3.605 41.012 -5.830 1.00 0.00 C ATOM 1711 NE ARG A 118 4.259 41.607 -7.026 1.00 0.00 N ATOM 1712 CZ ARG A 118 5.188 42.509 -6.880 1.00 0.00 C ATOM 1713 NH1 ARG A 118 5.087 43.402 -5.935 1.00 0.00 N ATOM 1714 NH2 ARG A 118 6.221 42.516 -7.677 1.00 0.00 N ATOM 1715 OXT ARG A 118 6.232 36.795 -6.142 1.00 0.00 O ATOM 0 H ARG A 118 2.649 36.694 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 118 3.825 37.332 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 118 3.909 38.488 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.151 38.898 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.215 39.533 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 118 2.151 39.418 -5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 118 2.746 41.604 -5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.291 40.970 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 118 3.980 41.309 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.281 43.394 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.814 44.108 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 118 6.301 41.816 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.948 43.222 -7.563 1.00 0.00 H new