USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 842 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 69 MET CE :methyl -102:sc= -3.71 (180deg=-5.09!) USER MOD Set 1.2: A 81 MET CE :methyl 149:sc= -0.242 (180deg=-1.23) USER MOD Set 2.1: A 45 CYS SG : rot 180:sc= 0.967 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 179:sc= 1.15 (180deg=-0.0489) USER MOD Set 3.1: A 17 THR OG1 : rot 50:sc= 0.624 USER MOD Set 3.2: A 21 THR OG1 : rot 24:sc= 1.76 USER MOD Set 3.3: A 24 GLN : amide:sc= -0.493 K(o=1.9,f=0.88) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.123 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -154:sc= -7.75! (180deg=-9.99!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= -0.103 (180deg=-0.47!) USER MOD Single : A 18 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 36 SER OG : rot 33:sc= 0.0207 USER MOD Single : A 37 TYR OH : rot -79:sc= -0.885! USER MOD Single : A 38 TYR OH : rot 180:sc= -0.583 USER MOD Single : A 40 SER OG : rot 36:sc= 0.149 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= 0.304 (180deg=0) USER MOD Single : A 51 SER OG : rot -74:sc= -3.41! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 147:sc= -10.7! (180deg=-12.1!) USER MOD Single : A 57 CYS SG : rot -170:sc= -3.48! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0052 K(o=-0.0052,f=-1) USER MOD Single : A 67 THR OG1 : rot -140:sc= -0.138 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0112 F(o=-1.2,f=-0.011) USER MOD Single : A 78 HIS : no HD1:sc=-0.00764 K(o=-0.0076,f=-0.53) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 39:sc= 1.43 USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 1.08 (180deg=0.986) USER MOD Single : A 102 CYS SG : rot -113:sc= 0.252 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -98:sc= 1.21 USER MOD Single : A 108 THR OG1 : rot 37:sc= 0.808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.280 2.204 -0.686 1.00 0.00 N ATOM 2 CA GLY A 1 -21.539 2.147 -1.967 1.00 0.00 C ATOM 3 C GLY A 1 -20.672 0.911 -2.051 1.00 0.00 C ATOM 4 O GLY A 1 -20.564 0.171 -1.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.302 2.213 -0.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.043 1.371 -0.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.016 3.068 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.245 2.155 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.917 3.036 -2.069 1.00 0.00 H new ATOM 10 N PRO A 2 -20.048 0.651 -3.210 1.00 0.00 N ATOM 11 CA PRO A 2 -19.183 -0.517 -3.396 1.00 0.00 C ATOM 12 C PRO A 2 -17.975 -0.495 -2.460 1.00 0.00 C ATOM 13 O PRO A 2 -17.597 -1.520 -1.897 1.00 0.00 O ATOM 14 CB PRO A 2 -18.739 -0.425 -4.862 1.00 0.00 C ATOM 15 CG PRO A 2 -18.998 0.985 -5.269 1.00 0.00 C ATOM 16 CD PRO A 2 -20.151 1.464 -4.433 1.00 0.00 C ATOM 0 HA PRO A 2 -19.705 -1.446 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.684 -0.677 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.298 -1.122 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -18.116 1.604 -5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.237 1.045 -6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -20.074 2.529 -4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -21.105 1.310 -4.938 1.00 0.00 H new ATOM 24 N LEU A 3 -17.376 0.677 -2.290 1.00 0.00 N ATOM 25 CA LEU A 3 -16.258 0.828 -1.371 1.00 0.00 C ATOM 26 C LEU A 3 -16.780 0.900 0.062 1.00 0.00 C ATOM 27 O LEU A 3 -17.176 1.966 0.540 1.00 0.00 O ATOM 28 CB LEU A 3 -15.452 2.086 -1.715 1.00 0.00 C ATOM 29 CG LEU A 3 -14.198 2.321 -0.866 1.00 0.00 C ATOM 30 CD1 LEU A 3 -13.198 1.192 -1.053 1.00 0.00 C ATOM 31 CD2 LEU A 3 -13.564 3.657 -1.221 1.00 0.00 C ATOM 0 H LEU A 3 -17.645 1.533 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.598 -0.034 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.155 2.030 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -16.105 2.953 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.494 2.341 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.317 1.381 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.654 0.249 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.906 1.135 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.674 3.811 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.286 3.659 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.277 4.460 -1.032 1.00 0.00 H new ATOM 43 N GLY A 4 -16.802 -0.248 0.727 1.00 0.00 N ATOM 44 CA GLY A 4 -17.354 -0.332 2.065 1.00 0.00 C ATOM 45 C GLY A 4 -16.466 0.293 3.121 1.00 0.00 C ATOM 46 O GLY A 4 -16.699 1.425 3.545 1.00 0.00 O ATOM 0 H GLY A 4 -16.444 -1.130 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.326 0.160 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.523 -1.379 2.316 1.00 0.00 H new ATOM 50 N SER A 5 -15.449 -0.442 3.547 1.00 0.00 N ATOM 51 CA SER A 5 -14.582 0.011 4.624 1.00 0.00 C ATOM 52 C SER A 5 -13.502 0.956 4.103 1.00 0.00 C ATOM 53 O SER A 5 -12.692 0.580 3.257 1.00 0.00 O ATOM 54 CB SER A 5 -13.946 -1.194 5.316 1.00 0.00 C ATOM 55 OG SER A 5 -14.943 -2.119 5.724 1.00 0.00 O ATOM 0 H SER A 5 -15.204 -1.355 3.163 1.00 0.00 H new ATOM 0 HA SER A 5 -15.187 0.562 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.245 -1.682 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.373 -0.863 6.182 1.00 0.00 H new ATOM 0 HG SER A 5 -14.518 -2.885 6.164 1.00 0.00 H new ATOM 61 N PRO A 6 -13.494 2.204 4.590 1.00 0.00 N ATOM 62 CA PRO A 6 -12.494 3.194 4.216 1.00 0.00 C ATOM 63 C PRO A 6 -11.253 3.129 5.106 1.00 0.00 C ATOM 64 O PRO A 6 -11.275 3.563 6.262 1.00 0.00 O ATOM 65 CB PRO A 6 -13.242 4.509 4.422 1.00 0.00 C ATOM 66 CG PRO A 6 -14.201 4.241 5.536 1.00 0.00 C ATOM 67 CD PRO A 6 -14.476 2.756 5.541 1.00 0.00 C ATOM 0 HA PRO A 6 -12.115 3.050 3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.556 5.317 4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.766 4.811 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.780 4.558 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.124 4.803 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.349 2.331 6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.498 2.539 5.230 1.00 0.00 H new ATOM 75 N GLU A 7 -10.172 2.575 4.580 1.00 0.00 N ATOM 76 CA GLU A 7 -8.942 2.478 5.348 1.00 0.00 C ATOM 77 C GLU A 7 -7.911 3.468 4.816 1.00 0.00 C ATOM 78 O GLU A 7 -8.000 3.912 3.673 1.00 0.00 O ATOM 79 CB GLU A 7 -8.397 1.049 5.324 1.00 0.00 C ATOM 80 CG GLU A 7 -7.392 0.767 6.429 1.00 0.00 C ATOM 81 CD GLU A 7 -7.880 1.227 7.786 1.00 0.00 C ATOM 82 OE1 GLU A 7 -8.580 0.454 8.470 1.00 0.00 O ATOM 83 OE2 GLU A 7 -7.562 2.370 8.178 1.00 0.00 O ATOM 0 H GLU A 7 -10.121 2.190 3.637 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.158 2.732 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.228 0.350 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.926 0.864 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.186 -0.303 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.451 1.266 6.196 1.00 0.00 H new ATOM 90 N PHE A 8 -6.933 3.796 5.644 1.00 0.00 N ATOM 91 CA PHE A 8 -5.974 4.840 5.336 1.00 0.00 C ATOM 92 C PHE A 8 -4.658 4.516 6.014 1.00 0.00 C ATOM 93 O PHE A 8 -4.500 4.724 7.216 1.00 0.00 O ATOM 94 CB PHE A 8 -6.502 6.197 5.815 1.00 0.00 C ATOM 95 CG PHE A 8 -5.594 7.355 5.502 1.00 0.00 C ATOM 96 CD1 PHE A 8 -5.662 7.994 4.275 1.00 0.00 C ATOM 97 CD2 PHE A 8 -4.676 7.807 6.437 1.00 0.00 C ATOM 98 CE1 PHE A 8 -4.830 9.059 3.986 1.00 0.00 C ATOM 99 CE2 PHE A 8 -3.843 8.871 6.152 1.00 0.00 C ATOM 100 CZ PHE A 8 -3.921 9.497 4.925 1.00 0.00 C ATOM 0 H PHE A 8 -6.783 3.346 6.547 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.822 4.893 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.475 6.378 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.659 6.154 6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.373 7.656 3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.611 7.321 7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.892 9.548 3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.131 9.213 6.889 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.270 10.329 4.700 1.00 0.00 H new ATOM 110 N MET A 9 -3.732 3.965 5.260 1.00 0.00 N ATOM 111 CA MET A 9 -2.467 3.534 5.825 1.00 0.00 C ATOM 112 C MET A 9 -1.296 4.206 5.132 1.00 0.00 C ATOM 113 O MET A 9 -1.234 4.251 3.912 1.00 0.00 O ATOM 114 CB MET A 9 -2.409 2.027 5.702 1.00 0.00 C ATOM 115 CG MET A 9 -1.025 1.427 5.581 1.00 0.00 C ATOM 116 SD MET A 9 -0.069 1.523 7.094 1.00 0.00 S ATOM 117 CE MET A 9 1.231 0.381 6.656 1.00 0.00 C ATOM 0 H MET A 9 -3.828 3.804 4.257 1.00 0.00 H new ATOM 0 HA MET A 9 -2.397 3.824 6.874 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.898 1.592 6.573 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.990 1.730 4.829 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.115 0.382 5.283 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.484 1.939 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.654 -0.054 7.562 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.823 -0.412 6.029 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.011 0.910 6.109 1.00 0.00 H new ATOM 127 N GLU A 10 -0.365 4.710 5.919 1.00 0.00 N ATOM 128 CA GLU A 10 0.737 5.507 5.388 1.00 0.00 C ATOM 129 C GLU A 10 2.085 5.126 5.992 1.00 0.00 C ATOM 130 O GLU A 10 2.176 4.683 7.141 1.00 0.00 O ATOM 131 CB GLU A 10 0.490 7.003 5.612 1.00 0.00 C ATOM 132 CG GLU A 10 0.060 7.355 7.018 1.00 0.00 C ATOM 133 CD GLU A 10 0.085 8.845 7.286 1.00 0.00 C ATOM 134 OE1 GLU A 10 1.151 9.370 7.670 1.00 0.00 O ATOM 135 OE2 GLU A 10 -0.966 9.503 7.128 1.00 0.00 O ATOM 0 H GLU A 10 -0.345 4.584 6.931 1.00 0.00 H new ATOM 0 HA GLU A 10 0.775 5.294 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.402 7.550 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.275 7.342 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.948 6.977 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.715 6.852 7.730 1.00 0.00 H new ATOM 142 N GLY A 11 3.121 5.308 5.189 1.00 0.00 N ATOM 143 CA GLY A 11 4.483 5.122 5.631 1.00 0.00 C ATOM 144 C GLY A 11 5.378 4.703 4.485 1.00 0.00 C ATOM 145 O GLY A 11 4.893 4.297 3.434 1.00 0.00 O ATOM 0 H GLY A 11 3.035 5.589 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.856 6.049 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.514 4.365 6.415 1.00 0.00 H new ATOM 149 N VAL A 12 6.681 4.835 4.667 1.00 0.00 N ATOM 150 CA VAL A 12 7.630 4.533 3.633 1.00 0.00 C ATOM 151 C VAL A 12 7.633 3.045 3.298 1.00 0.00 C ATOM 152 O VAL A 12 7.648 2.185 4.187 1.00 0.00 O ATOM 153 CB VAL A 12 9.035 5.026 4.048 1.00 0.00 C ATOM 154 CG1 VAL A 12 8.990 5.668 5.425 1.00 0.00 C ATOM 155 CG2 VAL A 12 10.074 3.912 4.009 1.00 0.00 C ATOM 0 H VAL A 12 7.101 5.155 5.539 1.00 0.00 H new ATOM 0 HA VAL A 12 7.335 5.060 2.725 1.00 0.00 H new ATOM 0 HB VAL A 12 9.341 5.775 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.988 6.009 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.308 6.518 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.642 4.938 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.044 4.309 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.780 3.116 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.142 3.513 2.997 1.00 0.00 H new ATOM 165 N LEU A 13 7.578 2.762 2.010 1.00 0.00 N ATOM 166 CA LEU A 13 7.625 1.409 1.512 1.00 0.00 C ATOM 167 C LEU A 13 8.827 1.281 0.571 1.00 0.00 C ATOM 168 O LEU A 13 8.926 1.993 -0.431 1.00 0.00 O ATOM 169 CB LEU A 13 6.297 1.113 0.806 1.00 0.00 C ATOM 170 CG LEU A 13 5.865 -0.351 0.720 1.00 0.00 C ATOM 171 CD1 LEU A 13 6.283 -1.128 1.940 1.00 0.00 C ATOM 172 CD2 LEU A 13 4.361 -0.437 0.586 1.00 0.00 C ATOM 0 H LEU A 13 7.499 3.470 1.280 1.00 0.00 H new ATOM 0 HA LEU A 13 7.751 0.682 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.511 1.668 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.358 1.508 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 13 6.353 -0.783 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.958 -2.164 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.368 -1.096 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.826 -0.687 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.060 -1.483 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.891 0.026 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.046 0.084 -0.318 1.00 0.00 H new ATOM 184 N TYR A 14 9.753 0.403 0.928 1.00 0.00 N ATOM 185 CA TYR A 14 11.010 0.232 0.195 1.00 0.00 C ATOM 186 C TYR A 14 10.790 -0.557 -1.090 1.00 0.00 C ATOM 187 O TYR A 14 10.914 -1.775 -1.099 1.00 0.00 O ATOM 188 CB TYR A 14 12.022 -0.512 1.072 1.00 0.00 C ATOM 189 CG TYR A 14 12.544 0.281 2.248 1.00 0.00 C ATOM 190 CD1 TYR A 14 13.570 1.198 2.085 1.00 0.00 C ATOM 191 CD2 TYR A 14 12.025 0.097 3.522 1.00 0.00 C ATOM 192 CE1 TYR A 14 14.066 1.912 3.160 1.00 0.00 C ATOM 193 CE2 TYR A 14 12.513 0.810 4.599 1.00 0.00 C ATOM 194 CZ TYR A 14 13.533 1.715 4.413 1.00 0.00 C ATOM 195 OH TYR A 14 14.021 2.425 5.486 1.00 0.00 O ATOM 0 H TYR A 14 9.659 -0.214 1.735 1.00 0.00 H new ATOM 0 HA TYR A 14 11.391 1.221 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.557 -1.425 1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.866 -0.814 0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.989 1.358 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.227 -0.615 3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.868 2.621 3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.096 0.658 5.584 1.00 0.00 H new ATOM 0 HH TYR A 14 13.535 2.168 6.297 1.00 0.00 H new ATOM 205 N LYS A 15 10.513 0.127 -2.182 1.00 0.00 N ATOM 206 CA LYS A 15 10.106 -0.558 -3.398 1.00 0.00 C ATOM 207 C LYS A 15 11.268 -0.803 -4.351 1.00 0.00 C ATOM 208 O LYS A 15 12.309 -0.148 -4.279 1.00 0.00 O ATOM 209 CB LYS A 15 8.972 0.204 -4.096 1.00 0.00 C ATOM 210 CG LYS A 15 9.206 1.697 -4.262 1.00 0.00 C ATOM 211 CD LYS A 15 10.152 2.007 -5.408 1.00 0.00 C ATOM 212 CE LYS A 15 9.429 2.135 -6.747 1.00 0.00 C ATOM 213 NZ LYS A 15 8.839 0.850 -7.218 1.00 0.00 N ATOM 0 H LYS A 15 10.560 1.143 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 15 9.736 -1.539 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.812 -0.235 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.053 0.057 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.252 2.195 -4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.614 2.104 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.683 2.935 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.902 1.220 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.638 2.879 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.129 2.503 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.482 0.967 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.567 0.108 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.055 0.577 -6.591 1.00 0.00 H new ATOM 227 N TRP A 16 11.063 -1.780 -5.224 1.00 0.00 N ATOM 228 CA TRP A 16 12.039 -2.171 -6.227 1.00 0.00 C ATOM 229 C TRP A 16 11.956 -1.241 -7.433 1.00 0.00 C ATOM 230 O TRP A 16 10.864 -0.956 -7.935 1.00 0.00 O ATOM 231 CB TRP A 16 11.767 -3.629 -6.634 1.00 0.00 C ATOM 232 CG TRP A 16 12.535 -4.107 -7.831 1.00 0.00 C ATOM 233 CD1 TRP A 16 12.080 -4.170 -9.118 1.00 0.00 C ATOM 234 CD2 TRP A 16 13.876 -4.610 -7.856 1.00 0.00 C ATOM 235 NE1 TRP A 16 13.060 -4.669 -9.940 1.00 0.00 N ATOM 236 CE2 TRP A 16 14.172 -4.944 -9.191 1.00 0.00 C ATOM 237 CE3 TRP A 16 14.859 -4.802 -6.882 1.00 0.00 C ATOM 238 CZ2 TRP A 16 15.404 -5.462 -9.574 1.00 0.00 C ATOM 239 CZ3 TRP A 16 16.083 -5.317 -7.264 1.00 0.00 C ATOM 240 CH2 TRP A 16 16.346 -5.641 -8.600 1.00 0.00 C ATOM 0 H TRP A 16 10.204 -2.329 -5.254 1.00 0.00 H new ATOM 0 HA TRP A 16 13.047 -2.094 -5.819 1.00 0.00 H new ATOM 0 HB2 TRP A 16 12.001 -4.276 -5.789 1.00 0.00 H new ATOM 0 HB3 TRP A 16 10.702 -3.741 -6.836 1.00 0.00 H new ATOM 0 HD1 TRP A 16 11.094 -3.871 -9.441 1.00 0.00 H new ATOM 0 HE1 TRP A 16 12.973 -4.812 -10.946 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.666 -4.552 -5.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 15.609 -5.714 -10.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.850 -5.472 -6.519 1.00 0.00 H new ATOM 0 HH2 TRP A 16 17.313 -6.041 -8.867 1.00 0.00 H new ATOM 251 N THR A 17 13.101 -0.746 -7.875 1.00 0.00 N ATOM 252 CA THR A 17 13.158 0.124 -9.036 1.00 0.00 C ATOM 253 C THR A 17 13.630 -0.645 -10.265 1.00 0.00 C ATOM 254 O THR A 17 13.820 -1.852 -10.198 1.00 0.00 O ATOM 255 CB THR A 17 14.080 1.325 -8.776 1.00 0.00 C ATOM 256 OG1 THR A 17 15.300 0.884 -8.165 1.00 0.00 O ATOM 257 CG2 THR A 17 13.395 2.339 -7.874 1.00 0.00 C ATOM 0 H THR A 17 14.006 -0.934 -7.444 1.00 0.00 H new ATOM 0 HA THR A 17 12.151 0.496 -9.224 1.00 0.00 H new ATOM 0 HB THR A 17 14.305 1.799 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.669 0.133 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 17 14.064 3.182 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.481 2.692 -8.352 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.148 1.870 -6.921 1.00 0.00 H new ATOM 265 N ASN A 18 13.817 0.052 -11.379 1.00 0.00 N ATOM 266 CA ASN A 18 14.188 -0.599 -12.635 1.00 0.00 C ATOM 267 C ASN A 18 15.593 -1.195 -12.572 1.00 0.00 C ATOM 268 O ASN A 18 16.581 -0.510 -12.852 1.00 0.00 O ATOM 269 CB ASN A 18 14.088 0.384 -13.805 1.00 0.00 C ATOM 270 CG ASN A 18 12.657 0.772 -14.119 1.00 0.00 C ATOM 271 OD1 ASN A 18 11.725 0.002 -13.888 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.471 1.965 -14.662 1.00 0.00 N ATOM 0 H ASN A 18 13.719 1.065 -11.441 1.00 0.00 H new ATOM 0 HA ASN A 18 13.484 -1.416 -12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.661 1.281 -13.571 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.542 -0.062 -14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.530 2.274 -14.904 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.269 2.575 -14.838 1.00 0.00 H new ATOM 279 N TYR A 19 15.655 -2.472 -12.183 1.00 0.00 N ATOM 280 CA TYR A 19 16.891 -3.263 -12.159 1.00 0.00 C ATOM 281 C TYR A 19 17.841 -2.831 -11.038 1.00 0.00 C ATOM 282 O TYR A 19 18.224 -3.644 -10.195 1.00 0.00 O ATOM 283 CB TYR A 19 17.611 -3.213 -13.515 1.00 0.00 C ATOM 284 CG TYR A 19 18.861 -4.066 -13.567 1.00 0.00 C ATOM 285 CD1 TYR A 19 18.777 -5.441 -13.734 1.00 0.00 C ATOM 286 CD2 TYR A 19 20.122 -3.497 -13.442 1.00 0.00 C ATOM 287 CE1 TYR A 19 19.912 -6.226 -13.773 1.00 0.00 C ATOM 288 CE2 TYR A 19 21.263 -4.274 -13.482 1.00 0.00 C ATOM 289 CZ TYR A 19 21.152 -5.639 -13.646 1.00 0.00 C ATOM 290 OH TYR A 19 22.286 -6.417 -13.680 1.00 0.00 O ATOM 0 H TYR A 19 14.836 -2.994 -11.871 1.00 0.00 H new ATOM 0 HA TYR A 19 16.593 -4.292 -11.957 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.924 -3.542 -14.295 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.876 -2.180 -13.739 1.00 0.00 H new ATOM 0 HD1 TYR A 19 17.807 -5.905 -13.835 1.00 0.00 H new ATOM 0 HD2 TYR A 19 20.212 -2.429 -13.311 1.00 0.00 H new ATOM 0 HE1 TYR A 19 19.828 -7.295 -13.902 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.236 -3.816 -13.385 1.00 0.00 H new ATOM 0 HH TYR A 19 23.077 -5.847 -13.578 1.00 0.00 H new ATOM 300 N LEU A 20 18.227 -1.565 -11.034 1.00 0.00 N ATOM 301 CA LEU A 20 19.177 -1.059 -10.077 1.00 0.00 C ATOM 302 C LEU A 20 18.561 -0.923 -8.698 1.00 0.00 C ATOM 303 O LEU A 20 17.339 -0.957 -8.554 1.00 0.00 O ATOM 304 CB LEU A 20 19.676 0.295 -10.525 1.00 0.00 C ATOM 305 CG LEU A 20 20.319 0.347 -11.900 1.00 0.00 C ATOM 306 CD1 LEU A 20 20.696 1.774 -12.237 1.00 0.00 C ATOM 307 CD2 LEU A 20 21.542 -0.554 -11.958 1.00 0.00 C ATOM 0 H LEU A 20 17.887 -0.867 -11.695 1.00 0.00 H new ATOM 0 HA LEU A 20 20.001 -1.770 -10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.838 0.992 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.400 0.653 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 20 19.600 -0.013 -12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.157 1.805 -13.224 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.802 2.397 -12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.401 2.149 -11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.986 -0.501 -12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.271 -0.226 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.247 -1.582 -11.747 1.00 0.00 H new ATOM 319 N THR A 21 19.441 -0.721 -7.720 1.00 0.00 N ATOM 320 CA THR A 21 19.104 -0.515 -6.333 1.00 0.00 C ATOM 321 C THR A 21 17.947 -1.388 -5.833 1.00 0.00 C ATOM 322 O THR A 21 16.771 -1.076 -6.032 1.00 0.00 O ATOM 323 CB THR A 21 18.834 0.965 -6.087 1.00 0.00 C ATOM 324 OG1 THR A 21 17.577 1.370 -6.642 1.00 0.00 O ATOM 325 CG2 THR A 21 19.941 1.808 -6.702 1.00 0.00 C ATOM 0 H THR A 21 20.446 -0.697 -7.890 1.00 0.00 H new ATOM 0 HA THR A 21 19.966 -0.834 -5.747 1.00 0.00 H new ATOM 0 HB THR A 21 18.803 1.117 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 21 16.987 0.591 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 21 19.738 2.863 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 21 20.896 1.539 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 21 19.983 1.626 -7.776 1.00 0.00 H new ATOM 333 N GLY A 22 18.297 -2.469 -5.143 1.00 0.00 N ATOM 334 CA GLY A 22 17.299 -3.396 -4.629 1.00 0.00 C ATOM 335 C GLY A 22 16.528 -2.850 -3.443 1.00 0.00 C ATOM 336 O GLY A 22 16.009 -3.620 -2.629 1.00 0.00 O ATOM 0 H GLY A 22 19.261 -2.723 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.598 -3.643 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.791 -4.324 -4.338 1.00 0.00 H new ATOM 340 N TRP A 23 16.448 -1.532 -3.348 1.00 0.00 N ATOM 341 CA TRP A 23 15.778 -0.879 -2.243 1.00 0.00 C ATOM 342 C TRP A 23 15.658 0.623 -2.534 1.00 0.00 C ATOM 343 O TRP A 23 16.643 1.280 -2.884 1.00 0.00 O ATOM 344 CB TRP A 23 16.558 -1.128 -0.936 1.00 0.00 C ATOM 345 CG TRP A 23 17.743 -0.225 -0.766 1.00 0.00 C ATOM 346 CD1 TRP A 23 18.980 -0.368 -1.321 1.00 0.00 C ATOM 347 CD2 TRP A 23 17.781 0.984 -0.007 1.00 0.00 C ATOM 348 NE1 TRP A 23 19.783 0.687 -0.955 1.00 0.00 N ATOM 349 CE2 TRP A 23 19.065 1.532 -0.151 1.00 0.00 C ATOM 350 CE3 TRP A 23 16.846 1.654 0.776 1.00 0.00 C ATOM 351 CZ2 TRP A 23 19.433 2.728 0.461 1.00 0.00 C ATOM 352 CZ3 TRP A 23 17.210 2.837 1.379 1.00 0.00 C ATOM 353 CH2 TRP A 23 18.487 3.366 1.219 1.00 0.00 C ATOM 0 H TRP A 23 16.845 -0.890 -4.034 1.00 0.00 H new ATOM 0 HA TRP A 23 14.776 -1.291 -2.124 1.00 0.00 H new ATOM 0 HB2 TRP A 23 15.885 -0.994 -0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 23 16.895 -2.164 -0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 23 19.284 -1.188 -1.954 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.755 0.819 -1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 23 15.852 1.253 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 20.426 3.136 0.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 16.491 3.364 1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.737 4.299 1.702 1.00 0.00 H new ATOM 364 N GLN A 24 14.445 1.145 -2.463 1.00 0.00 N ATOM 365 CA GLN A 24 14.215 2.584 -2.545 1.00 0.00 C ATOM 366 C GLN A 24 13.049 2.970 -1.649 1.00 0.00 C ATOM 367 O GLN A 24 11.907 2.611 -1.943 1.00 0.00 O ATOM 368 CB GLN A 24 13.900 3.010 -3.983 1.00 0.00 C ATOM 369 CG GLN A 24 15.089 2.975 -4.928 1.00 0.00 C ATOM 370 CD GLN A 24 16.167 3.972 -4.556 1.00 0.00 C ATOM 371 OE1 GLN A 24 15.889 5.022 -3.973 1.00 0.00 O ATOM 372 NE2 GLN A 24 17.402 3.656 -4.899 1.00 0.00 N ATOM 0 H GLN A 24 13.596 0.592 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 24 15.123 3.090 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.120 2.360 -4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.494 4.022 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.515 1.972 -4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.747 3.179 -5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 24 17.588 2.776 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 24 18.170 4.291 -4.682 1.00 0.00 H new ATOM 381 N PRO A 25 13.295 3.680 -0.533 1.00 0.00 N ATOM 382 CA PRO A 25 12.206 4.119 0.326 1.00 0.00 C ATOM 383 C PRO A 25 11.360 5.180 -0.348 1.00 0.00 C ATOM 384 O PRO A 25 11.781 6.328 -0.519 1.00 0.00 O ATOM 385 CB PRO A 25 12.900 4.696 1.557 1.00 0.00 C ATOM 386 CG PRO A 25 14.278 5.033 1.114 1.00 0.00 C ATOM 387 CD PRO A 25 14.616 4.093 -0.016 1.00 0.00 C ATOM 0 HA PRO A 25 11.527 3.301 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.378 5.580 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.916 3.974 2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.335 6.070 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.986 4.921 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 25 15.210 4.587 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 25 15.195 3.238 0.334 1.00 0.00 H new ATOM 395 N ARG A 26 10.169 4.789 -0.734 1.00 0.00 N ATOM 396 CA ARG A 26 9.226 5.708 -1.312 1.00 0.00 C ATOM 397 C ARG A 26 8.082 5.864 -0.339 1.00 0.00 C ATOM 398 O ARG A 26 7.552 4.867 0.151 1.00 0.00 O ATOM 399 CB ARG A 26 8.717 5.178 -2.657 1.00 0.00 C ATOM 400 CG ARG A 26 8.029 6.227 -3.524 1.00 0.00 C ATOM 401 CD ARG A 26 9.035 7.169 -4.179 1.00 0.00 C ATOM 402 NE ARG A 26 9.764 7.982 -3.205 1.00 0.00 N ATOM 403 CZ ARG A 26 11.064 8.277 -3.296 1.00 0.00 C ATOM 404 NH1 ARG A 26 11.773 7.868 -4.342 1.00 0.00 N ATOM 405 NH2 ARG A 26 11.648 8.999 -2.349 1.00 0.00 N ATOM 0 H ARG A 26 9.830 3.830 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 26 9.700 6.672 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.557 4.760 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.019 4.362 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.440 5.731 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.334 6.804 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.746 6.585 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.512 7.825 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 26 9.247 8.347 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.325 7.326 -5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.765 8.096 -4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.105 9.329 -1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.640 9.224 -2.418 1.00 0.00 H new ATOM 419 N TRP A 27 7.725 7.093 -0.019 1.00 0.00 N ATOM 420 CA TRP A 27 6.634 7.308 0.898 1.00 0.00 C ATOM 421 C TRP A 27 5.334 6.854 0.256 1.00 0.00 C ATOM 422 O TRP A 27 4.933 7.349 -0.798 1.00 0.00 O ATOM 423 CB TRP A 27 6.535 8.765 1.344 1.00 0.00 C ATOM 424 CG TRP A 27 5.328 8.997 2.192 1.00 0.00 C ATOM 425 CD1 TRP A 27 4.123 9.476 1.784 1.00 0.00 C ATOM 426 CD2 TRP A 27 5.194 8.720 3.586 1.00 0.00 C ATOM 427 NE1 TRP A 27 3.245 9.501 2.830 1.00 0.00 N ATOM 428 CE2 TRP A 27 3.878 9.053 3.947 1.00 0.00 C ATOM 429 CE3 TRP A 27 6.057 8.225 4.563 1.00 0.00 C ATOM 430 CZ2 TRP A 27 3.396 8.905 5.231 1.00 0.00 C ATOM 431 CZ3 TRP A 27 5.583 8.074 5.850 1.00 0.00 C ATOM 432 CH2 TRP A 27 4.261 8.411 6.178 1.00 0.00 C ATOM 0 H TRP A 27 8.168 7.940 -0.375 1.00 0.00 H new ATOM 0 HA TRP A 27 6.825 6.717 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.431 9.037 1.902 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.496 9.413 0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.893 9.792 0.777 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.273 9.806 2.781 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.076 7.965 4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.379 9.167 5.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 6.240 7.690 6.617 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.917 8.280 7.193 1.00 0.00 H new ATOM 443 N PHE A 28 4.704 5.892 0.890 1.00 0.00 N ATOM 444 CA PHE A 28 3.480 5.303 0.396 1.00 0.00 C ATOM 445 C PHE A 28 2.336 5.636 1.339 1.00 0.00 C ATOM 446 O PHE A 28 2.509 5.593 2.553 1.00 0.00 O ATOM 447 CB PHE A 28 3.660 3.784 0.324 1.00 0.00 C ATOM 448 CG PHE A 28 3.805 3.225 -1.061 1.00 0.00 C ATOM 449 CD1 PHE A 28 4.716 3.751 -1.962 1.00 0.00 C ATOM 450 CD2 PHE A 28 3.005 2.174 -1.461 1.00 0.00 C ATOM 451 CE1 PHE A 28 4.824 3.225 -3.236 1.00 0.00 C ATOM 452 CE2 PHE A 28 3.101 1.648 -2.724 1.00 0.00 C ATOM 453 CZ PHE A 28 4.013 2.171 -3.619 1.00 0.00 C ATOM 0 H PHE A 28 5.029 5.493 1.770 1.00 0.00 H new ATOM 0 HA PHE A 28 3.251 5.698 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.542 3.510 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.804 3.309 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.346 4.577 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.290 1.758 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.541 3.636 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.465 0.826 -3.018 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.093 1.759 -4.614 1.00 0.00 H new ATOM 463 N VAL A 29 1.179 5.998 0.808 1.00 0.00 N ATOM 464 CA VAL A 29 0.003 6.087 1.643 1.00 0.00 C ATOM 465 C VAL A 29 -1.282 5.802 0.872 1.00 0.00 C ATOM 466 O VAL A 29 -1.532 6.330 -0.216 1.00 0.00 O ATOM 467 CB VAL A 29 -0.074 7.401 2.467 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.250 8.636 1.688 1.00 0.00 C ATOM 469 CG2 VAL A 29 -1.428 7.558 3.112 1.00 0.00 C ATOM 0 H VAL A 29 1.034 6.229 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 29 0.107 5.290 2.380 1.00 0.00 H new ATOM 0 HB VAL A 29 0.698 7.299 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.172 9.507 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.265 8.564 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.451 8.738 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.454 8.486 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.198 7.585 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.613 6.717 3.780 1.00 0.00 H new ATOM 479 N LEU A 30 -2.063 4.925 1.480 1.00 0.00 N ATOM 480 CA LEU A 30 -3.263 4.360 0.938 1.00 0.00 C ATOM 481 C LEU A 30 -4.467 5.184 1.382 1.00 0.00 C ATOM 482 O LEU A 30 -4.740 5.301 2.577 1.00 0.00 O ATOM 483 CB LEU A 30 -3.289 2.933 1.500 1.00 0.00 C ATOM 484 CG LEU A 30 -4.441 2.004 1.147 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.761 2.442 1.766 1.00 0.00 C ATOM 486 CD2 LEU A 30 -4.567 1.864 -0.360 1.00 0.00 C ATOM 0 H LEU A 30 -1.855 4.576 2.416 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.296 4.355 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.368 2.443 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.255 3.010 2.587 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.208 1.029 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.547 1.743 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.666 2.458 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.017 3.440 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.396 1.196 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.753 2.843 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.643 1.452 -0.766 1.00 0.00 H new ATOM 498 N ASP A 31 -5.165 5.762 0.416 1.00 0.00 N ATOM 499 CA ASP A 31 -6.326 6.599 0.692 1.00 0.00 C ATOM 500 C ASP A 31 -7.413 6.364 -0.339 1.00 0.00 C ATOM 501 O ASP A 31 -7.180 6.484 -1.544 1.00 0.00 O ATOM 502 CB ASP A 31 -5.919 8.072 0.706 1.00 0.00 C ATOM 503 CG ASP A 31 -7.104 9.013 0.785 1.00 0.00 C ATOM 504 OD1 ASP A 31 -7.788 9.039 1.831 1.00 0.00 O ATOM 505 OD2 ASP A 31 -7.350 9.738 -0.203 1.00 0.00 O ATOM 0 H ASP A 31 -4.946 5.666 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.720 6.332 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.261 8.253 1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.346 8.293 -0.194 1.00 0.00 H new ATOM 510 N ASN A 32 -8.596 6.016 0.152 1.00 0.00 N ATOM 511 CA ASN A 32 -9.750 5.724 -0.687 1.00 0.00 C ATOM 512 C ASN A 32 -9.458 4.589 -1.659 1.00 0.00 C ATOM 513 O ASN A 32 -9.985 4.548 -2.771 1.00 0.00 O ATOM 514 CB ASN A 32 -10.199 6.962 -1.453 1.00 0.00 C ATOM 515 CG ASN A 32 -10.717 8.063 -0.558 1.00 0.00 C ATOM 516 OD1 ASN A 32 -11.216 7.815 0.540 1.00 0.00 O ATOM 517 ND2 ASN A 32 -10.630 9.288 -1.036 1.00 0.00 N ATOM 0 H ASN A 32 -8.782 5.928 1.151 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.557 5.411 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.362 7.342 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.980 6.680 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.984 10.074 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.209 9.450 -1.951 1.00 0.00 H new ATOM 524 N GLY A 33 -8.605 3.673 -1.235 1.00 0.00 N ATOM 525 CA GLY A 33 -8.240 2.553 -2.076 1.00 0.00 C ATOM 526 C GLY A 33 -7.009 2.846 -2.910 1.00 0.00 C ATOM 527 O GLY A 33 -6.296 1.938 -3.337 1.00 0.00 O ATOM 0 H GLY A 33 -8.156 3.684 -0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.056 1.677 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.073 2.307 -2.734 1.00 0.00 H new ATOM 531 N ILE A 34 -6.785 4.119 -3.162 1.00 0.00 N ATOM 532 CA ILE A 34 -5.697 4.581 -3.962 1.00 0.00 C ATOM 533 C ILE A 34 -4.413 4.704 -3.135 1.00 0.00 C ATOM 534 O ILE A 34 -4.315 5.507 -2.205 1.00 0.00 O ATOM 535 CB ILE A 34 -6.134 5.923 -4.578 1.00 0.00 C ATOM 536 CG1 ILE A 34 -7.041 5.691 -5.794 1.00 0.00 C ATOM 537 CG2 ILE A 34 -4.948 6.782 -4.949 1.00 0.00 C ATOM 538 CD1 ILE A 34 -7.996 4.519 -5.680 1.00 0.00 C ATOM 0 H ILE A 34 -7.375 4.870 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.462 3.870 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.702 6.463 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.623 6.596 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.412 5.541 -6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.299 7.720 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.357 6.991 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.331 6.256 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.590 4.444 -6.591 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.428 3.599 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.658 4.670 -4.827 1.00 0.00 H new ATOM 550 N LEU A 35 -3.457 3.857 -3.468 1.00 0.00 N ATOM 551 CA LEU A 35 -2.153 3.835 -2.819 1.00 0.00 C ATOM 552 C LEU A 35 -1.182 4.671 -3.650 1.00 0.00 C ATOM 553 O LEU A 35 -0.737 4.238 -4.712 1.00 0.00 O ATOM 554 CB LEU A 35 -1.652 2.388 -2.730 1.00 0.00 C ATOM 555 CG LEU A 35 -0.832 2.015 -1.489 1.00 0.00 C ATOM 556 CD1 LEU A 35 -0.021 0.762 -1.760 1.00 0.00 C ATOM 557 CD2 LEU A 35 0.053 3.166 -1.041 1.00 0.00 C ATOM 0 H LEU A 35 -3.562 3.157 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.226 4.247 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.516 1.726 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.045 2.184 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.520 1.808 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.558 0.505 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.693 -0.060 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.655 0.940 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.620 2.867 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.742 3.429 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.567 4.029 -0.798 1.00 0.00 H new ATOM 569 N SER A 36 -0.844 5.856 -3.173 1.00 0.00 N ATOM 570 CA SER A 36 -0.118 6.821 -3.990 1.00 0.00 C ATOM 571 C SER A 36 1.343 6.894 -3.588 1.00 0.00 C ATOM 572 O SER A 36 1.722 6.489 -2.483 1.00 0.00 O ATOM 573 CB SER A 36 -0.777 8.195 -3.867 1.00 0.00 C ATOM 574 OG SER A 36 -0.221 9.118 -4.786 1.00 0.00 O ATOM 0 H SER A 36 -1.058 6.175 -2.228 1.00 0.00 H new ATOM 0 HA SER A 36 -0.157 6.494 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.849 8.104 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.653 8.570 -2.851 1.00 0.00 H new ATOM 0 HG SER A 36 0.043 8.647 -5.604 1.00 0.00 H new ATOM 580 N TYR A 37 2.155 7.414 -4.501 1.00 0.00 N ATOM 581 CA TYR A 37 3.596 7.425 -4.331 1.00 0.00 C ATOM 582 C TYR A 37 4.077 8.843 -4.062 1.00 0.00 C ATOM 583 O TYR A 37 3.755 9.765 -4.811 1.00 0.00 O ATOM 584 CB TYR A 37 4.288 6.931 -5.600 1.00 0.00 C ATOM 585 CG TYR A 37 3.565 5.849 -6.367 1.00 0.00 C ATOM 586 CD1 TYR A 37 3.060 4.714 -5.747 1.00 0.00 C ATOM 587 CD2 TYR A 37 3.393 5.979 -7.737 1.00 0.00 C ATOM 588 CE1 TYR A 37 2.400 3.743 -6.476 1.00 0.00 C ATOM 589 CE2 TYR A 37 2.740 5.016 -8.468 1.00 0.00 C ATOM 590 CZ TYR A 37 2.244 3.902 -7.837 1.00 0.00 C ATOM 591 OH TYR A 37 1.584 2.949 -8.573 1.00 0.00 O ATOM 0 H TYR A 37 1.833 7.836 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 37 3.839 6.772 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.437 7.782 -6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.277 6.560 -5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.185 4.588 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.780 6.854 -8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.009 2.865 -5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.617 5.135 -9.534 1.00 0.00 H new ATOM 0 HH TYR A 37 2.186 2.195 -8.747 1.00 0.00 H new ATOM 601 N TYR A 38 4.844 9.020 -3.003 1.00 0.00 N ATOM 602 CA TYR A 38 5.391 10.327 -2.676 1.00 0.00 C ATOM 603 C TYR A 38 6.878 10.208 -2.392 1.00 0.00 C ATOM 604 O TYR A 38 7.370 9.111 -2.114 1.00 0.00 O ATOM 605 CB TYR A 38 4.679 10.921 -1.459 1.00 0.00 C ATOM 606 CG TYR A 38 3.170 10.810 -1.519 1.00 0.00 C ATOM 607 CD1 TYR A 38 2.518 9.698 -1.003 1.00 0.00 C ATOM 608 CD2 TYR A 38 2.400 11.812 -2.087 1.00 0.00 C ATOM 609 CE1 TYR A 38 1.147 9.586 -1.055 1.00 0.00 C ATOM 610 CE2 TYR A 38 1.025 11.709 -2.142 1.00 0.00 C ATOM 611 CZ TYR A 38 0.404 10.595 -1.627 1.00 0.00 C ATOM 612 OH TYR A 38 -0.966 10.493 -1.681 1.00 0.00 O ATOM 0 H TYR A 38 5.103 8.277 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 38 5.236 10.989 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.035 10.418 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.953 11.972 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.098 8.906 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.884 12.688 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.657 8.713 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.439 12.499 -2.587 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.337 11.290 -2.115 1.00 0.00 H new ATOM 622 N ASP A 39 7.597 11.313 -2.471 1.00 0.00 N ATOM 623 CA ASP A 39 9.024 11.303 -2.181 1.00 0.00 C ATOM 624 C ASP A 39 9.259 10.915 -0.731 1.00 0.00 C ATOM 625 O ASP A 39 9.850 9.871 -0.442 1.00 0.00 O ATOM 626 CB ASP A 39 9.648 12.671 -2.457 1.00 0.00 C ATOM 627 CG ASP A 39 11.141 12.684 -2.212 1.00 0.00 C ATOM 628 OD1 ASP A 39 11.559 12.894 -1.054 1.00 0.00 O ATOM 629 OD2 ASP A 39 11.904 12.476 -3.178 1.00 0.00 O ATOM 0 H ASP A 39 7.222 12.225 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 39 9.497 10.569 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.450 12.956 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.172 13.419 -1.823 1.00 0.00 H new ATOM 634 N SER A 40 8.762 11.744 0.171 1.00 0.00 N ATOM 635 CA SER A 40 8.918 11.517 1.593 1.00 0.00 C ATOM 636 C SER A 40 7.643 11.947 2.320 1.00 0.00 C ATOM 637 O SER A 40 6.656 12.300 1.670 1.00 0.00 O ATOM 638 CB SER A 40 10.140 12.285 2.113 1.00 0.00 C ATOM 639 OG SER A 40 10.436 11.955 3.461 1.00 0.00 O ATOM 0 H SER A 40 8.241 12.589 -0.063 1.00 0.00 H new ATOM 0 HA SER A 40 9.082 10.456 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.003 12.062 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.957 13.357 2.033 1.00 0.00 H new ATOM 0 HG SER A 40 10.248 11.005 3.614 1.00 0.00 H new ATOM 645 N GLN A 41 7.663 11.938 3.645 1.00 0.00 N ATOM 646 CA GLN A 41 6.480 12.272 4.438 1.00 0.00 C ATOM 647 C GLN A 41 6.072 13.738 4.246 1.00 0.00 C ATOM 648 O GLN A 41 4.933 14.120 4.503 1.00 0.00 O ATOM 649 CB GLN A 41 6.747 11.986 5.918 1.00 0.00 C ATOM 650 CG GLN A 41 5.526 12.153 6.808 1.00 0.00 C ATOM 651 CD GLN A 41 5.832 11.906 8.262 1.00 0.00 C ATOM 652 OE1 GLN A 41 5.750 10.777 8.750 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.183 12.965 8.966 1.00 0.00 N ATOM 0 H GLN A 41 8.487 11.703 4.199 1.00 0.00 H new ATOM 0 HA GLN A 41 5.654 11.650 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.122 10.967 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.535 12.652 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.130 13.162 6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.746 11.464 6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.237 13.880 8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.400 12.869 9.958 1.00 0.00 H new ATOM 662 N ASP A 42 7.001 14.554 3.778 1.00 0.00 N ATOM 663 CA ASP A 42 6.730 15.966 3.546 1.00 0.00 C ATOM 664 C ASP A 42 6.154 16.181 2.151 1.00 0.00 C ATOM 665 O ASP A 42 5.572 17.220 1.854 1.00 0.00 O ATOM 666 CB ASP A 42 8.015 16.777 3.701 1.00 0.00 C ATOM 667 CG ASP A 42 8.963 16.605 2.529 1.00 0.00 C ATOM 668 OD1 ASP A 42 9.568 15.515 2.397 1.00 0.00 O ATOM 669 OD2 ASP A 42 9.105 17.556 1.736 1.00 0.00 O ATOM 0 H ASP A 42 7.952 14.264 3.550 1.00 0.00 H new ATOM 0 HA ASP A 42 5.999 16.301 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.763 17.832 3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.521 16.476 4.619 1.00 0.00 H new ATOM 674 N ASP A 43 6.323 15.182 1.305 1.00 0.00 N ATOM 675 CA ASP A 43 5.944 15.276 -0.099 1.00 0.00 C ATOM 676 C ASP A 43 4.481 14.885 -0.301 1.00 0.00 C ATOM 677 O ASP A 43 3.905 15.136 -1.354 1.00 0.00 O ATOM 678 CB ASP A 43 6.867 14.398 -0.941 1.00 0.00 C ATOM 679 CG ASP A 43 6.780 14.697 -2.425 1.00 0.00 C ATOM 680 OD1 ASP A 43 6.750 15.888 -2.798 1.00 0.00 O ATOM 681 OD2 ASP A 43 6.764 13.740 -3.222 1.00 0.00 O ATOM 0 H ASP A 43 6.726 14.283 1.568 1.00 0.00 H new ATOM 0 HA ASP A 43 6.052 16.311 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.895 14.538 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.617 13.351 -0.772 1.00 0.00 H new ATOM 686 N VAL A 44 3.910 14.260 0.731 1.00 0.00 N ATOM 687 CA VAL A 44 2.554 13.722 0.736 1.00 0.00 C ATOM 688 C VAL A 44 1.506 14.623 0.067 1.00 0.00 C ATOM 689 O VAL A 44 0.546 14.131 -0.527 1.00 0.00 O ATOM 690 CB VAL A 44 2.146 13.464 2.195 1.00 0.00 C ATOM 691 CG1 VAL A 44 0.736 12.967 2.291 1.00 0.00 C ATOM 692 CG2 VAL A 44 3.082 12.470 2.836 1.00 0.00 C ATOM 0 H VAL A 44 4.398 14.111 1.614 1.00 0.00 H new ATOM 0 HA VAL A 44 2.575 12.807 0.144 1.00 0.00 H new ATOM 0 HB VAL A 44 2.210 14.414 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.481 12.795 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.059 13.710 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.641 12.034 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.779 12.299 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.046 11.529 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.099 12.863 2.817 1.00 0.00 H new ATOM 702 N CYS A 45 1.678 15.930 0.165 1.00 0.00 N ATOM 703 CA CYS A 45 0.715 16.859 -0.408 1.00 0.00 C ATOM 704 C CYS A 45 0.658 16.722 -1.929 1.00 0.00 C ATOM 705 O CYS A 45 -0.411 16.833 -2.535 1.00 0.00 O ATOM 706 CB CYS A 45 1.085 18.285 -0.030 1.00 0.00 C ATOM 707 SG CYS A 45 -0.211 19.504 -0.347 1.00 0.00 S ATOM 0 H CYS A 45 2.470 16.371 0.633 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.270 16.621 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.341 18.312 1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.980 18.573 -0.581 1.00 0.00 H new ATOM 0 HG CYS A 45 0.205 20.682 0.011 1.00 0.00 H new ATOM 713 N LYS A 46 1.811 16.477 -2.543 1.00 0.00 N ATOM 714 CA LYS A 46 1.888 16.360 -3.993 1.00 0.00 C ATOM 715 C LYS A 46 2.365 14.968 -4.378 1.00 0.00 C ATOM 716 O LYS A 46 1.570 14.117 -4.777 1.00 0.00 O ATOM 717 CB LYS A 46 2.839 17.398 -4.589 1.00 0.00 C ATOM 718 CG LYS A 46 2.768 18.763 -3.933 1.00 0.00 C ATOM 719 CD LYS A 46 1.367 19.341 -3.955 1.00 0.00 C ATOM 720 CE LYS A 46 1.361 20.812 -3.561 1.00 0.00 C ATOM 721 NZ LYS A 46 1.956 21.038 -2.215 1.00 0.00 N ATOM 0 H LYS A 46 2.701 16.356 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 46 0.889 16.536 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.860 17.024 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.619 17.507 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.110 18.686 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.448 19.445 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.942 19.229 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.730 18.778 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.916 21.387 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.337 21.184 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.946 22.055 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.402 20.525 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.937 20.692 -2.206 1.00 0.00 H new ATOM 735 N GLY A 47 3.668 14.743 -4.232 1.00 0.00 N ATOM 736 CA GLY A 47 4.255 13.465 -4.568 1.00 0.00 C ATOM 737 C GLY A 47 4.298 13.213 -6.053 1.00 0.00 C ATOM 738 O GLY A 47 3.944 14.081 -6.857 1.00 0.00 O ATOM 0 H GLY A 47 4.331 15.434 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.268 13.419 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.685 12.671 -4.086 1.00 0.00 H new ATOM 742 N SER A 48 4.758 12.030 -6.424 1.00 0.00 N ATOM 743 CA SER A 48 4.659 11.589 -7.796 1.00 0.00 C ATOM 744 C SER A 48 3.189 11.394 -8.107 1.00 0.00 C ATOM 745 O SER A 48 2.512 10.632 -7.421 1.00 0.00 O ATOM 746 CB SER A 48 5.412 10.277 -7.991 1.00 0.00 C ATOM 747 OG SER A 48 6.746 10.369 -7.507 1.00 0.00 O ATOM 0 H SER A 48 5.202 11.363 -5.793 1.00 0.00 H new ATOM 0 HA SER A 48 5.101 12.329 -8.464 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.889 9.474 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.424 10.016 -9.049 1.00 0.00 H new ATOM 0 HG SER A 48 7.203 9.513 -7.644 1.00 0.00 H new ATOM 753 N LYS A 49 2.686 12.087 -9.113 1.00 0.00 N ATOM 754 CA LYS A 49 1.254 12.078 -9.381 1.00 0.00 C ATOM 755 C LYS A 49 0.825 10.801 -10.105 1.00 0.00 C ATOM 756 O LYS A 49 0.177 10.832 -11.153 1.00 0.00 O ATOM 757 CB LYS A 49 0.830 13.329 -10.141 1.00 0.00 C ATOM 758 CG LYS A 49 1.042 14.604 -9.336 1.00 0.00 C ATOM 759 CD LYS A 49 0.687 14.424 -7.870 1.00 0.00 C ATOM 760 CE LYS A 49 -0.781 14.149 -7.709 1.00 0.00 C ATOM 761 NZ LYS A 49 -1.159 13.908 -6.290 1.00 0.00 N ATOM 0 H LYS A 49 3.238 12.658 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 49 0.737 12.088 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.394 13.393 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.223 13.246 -10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.083 14.916 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.435 15.404 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.265 13.601 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.957 15.321 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.351 14.994 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.053 13.280 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.600 12.970 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.309 13.947 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.833 14.638 -5.981 1.00 0.00 H new ATOM 775 N GLY A 50 1.220 9.682 -9.521 1.00 0.00 N ATOM 776 CA GLY A 50 0.794 8.379 -9.963 1.00 0.00 C ATOM 777 C GLY A 50 0.403 7.543 -8.766 1.00 0.00 C ATOM 778 O GLY A 50 0.817 7.847 -7.637 1.00 0.00 O ATOM 0 H GLY A 50 1.851 9.660 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.051 8.473 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.597 7.890 -10.515 1.00 0.00 H new ATOM 782 N SER A 51 -0.380 6.500 -8.974 1.00 0.00 N ATOM 783 CA SER A 51 -0.881 5.739 -7.851 1.00 0.00 C ATOM 784 C SER A 51 -1.333 4.343 -8.240 1.00 0.00 C ATOM 785 O SER A 51 -1.632 4.049 -9.401 1.00 0.00 O ATOM 786 CB SER A 51 -2.055 6.468 -7.228 1.00 0.00 C ATOM 787 OG SER A 51 -2.282 6.049 -5.905 1.00 0.00 O ATOM 0 H SER A 51 -0.676 6.168 -9.892 1.00 0.00 H new ATOM 0 HA SER A 51 -0.057 5.640 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.867 7.542 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.950 6.293 -7.824 1.00 0.00 H new ATOM 0 HG SER A 51 -2.689 5.158 -5.909 1.00 0.00 H new ATOM 793 N ILE A 52 -1.362 3.505 -7.229 1.00 0.00 N ATOM 794 CA ILE A 52 -1.911 2.190 -7.281 1.00 0.00 C ATOM 795 C ILE A 52 -3.372 2.214 -6.901 1.00 0.00 C ATOM 796 O ILE A 52 -3.750 2.762 -5.872 1.00 0.00 O ATOM 797 CB ILE A 52 -1.153 1.325 -6.287 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.077 0.795 -6.939 1.00 0.00 C ATOM 799 CG2 ILE A 52 -1.992 0.201 -5.755 1.00 0.00 C ATOM 800 CD1 ILE A 52 1.008 0.141 -5.970 1.00 0.00 C ATOM 0 H ILE A 52 -0.984 3.742 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.821 1.794 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.884 1.946 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.205 0.075 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.597 1.611 -7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.406 -0.388 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.867 0.608 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.313 -0.435 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.886 -0.226 -6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.316 0.865 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.501 -0.694 -5.486 1.00 0.00 H new ATOM 812 N LYS A 53 -4.194 1.639 -7.729 1.00 0.00 N ATOM 813 CA LYS A 53 -5.568 1.483 -7.402 1.00 0.00 C ATOM 814 C LYS A 53 -5.856 0.042 -7.016 1.00 0.00 C ATOM 815 O LYS A 53 -6.226 -0.770 -7.866 1.00 0.00 O ATOM 816 CB LYS A 53 -6.388 1.899 -8.594 1.00 0.00 C ATOM 817 CG LYS A 53 -6.235 3.367 -8.933 1.00 0.00 C ATOM 818 CD LYS A 53 -7.347 3.836 -9.836 1.00 0.00 C ATOM 819 CE LYS A 53 -8.636 4.048 -9.067 1.00 0.00 C ATOM 820 NZ LYS A 53 -9.763 4.413 -9.966 1.00 0.00 N ATOM 0 H LYS A 53 -3.927 1.270 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.827 2.109 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.095 1.300 -9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.439 1.684 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.234 3.957 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.274 3.532 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.055 4.767 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.510 3.102 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.887 3.139 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.492 4.835 -8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.626 4.549 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.535 5.294 -10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.917 3.651 -10.656 1.00 0.00 H new ATOM 834 N MET A 54 -5.702 -0.275 -5.732 1.00 0.00 N ATOM 835 CA MET A 54 -5.897 -1.652 -5.281 1.00 0.00 C ATOM 836 C MET A 54 -7.377 -1.992 -5.292 1.00 0.00 C ATOM 837 O MET A 54 -7.752 -3.150 -5.388 1.00 0.00 O ATOM 838 CB MET A 54 -5.285 -1.929 -3.880 1.00 0.00 C ATOM 839 CG MET A 54 -5.731 -1.001 -2.758 1.00 0.00 C ATOM 840 SD MET A 54 -7.467 -1.191 -2.319 1.00 0.00 S ATOM 841 CE MET A 54 -7.520 -0.414 -0.710 1.00 0.00 C ATOM 0 H MET A 54 -5.448 0.387 -4.999 1.00 0.00 H new ATOM 0 HA MET A 54 -5.363 -2.296 -5.980 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.529 -2.953 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.200 -1.871 -3.962 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.118 -1.189 -1.876 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.551 0.031 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.489 0.066 -0.569 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.373 -1.168 0.063 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.731 0.335 -0.641 1.00 0.00 H new ATOM 851 N ALA A 55 -8.209 -0.958 -5.244 1.00 0.00 N ATOM 852 CA ALA A 55 -9.652 -1.122 -5.138 1.00 0.00 C ATOM 853 C ALA A 55 -10.253 -1.780 -6.379 1.00 0.00 C ATOM 854 O ALA A 55 -11.273 -2.461 -6.304 1.00 0.00 O ATOM 855 CB ALA A 55 -10.309 0.227 -4.904 1.00 0.00 C ATOM 0 H ALA A 55 -7.903 0.014 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.843 -1.782 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.388 0.097 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.928 0.662 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.083 0.891 -5.738 1.00 0.00 H new ATOM 861 N VAL A 56 -9.610 -1.575 -7.517 1.00 0.00 N ATOM 862 CA VAL A 56 -10.158 -2.011 -8.797 1.00 0.00 C ATOM 863 C VAL A 56 -9.542 -3.336 -9.230 1.00 0.00 C ATOM 864 O VAL A 56 -10.049 -4.027 -10.113 1.00 0.00 O ATOM 865 CB VAL A 56 -9.935 -0.933 -9.879 1.00 0.00 C ATOM 866 CG1 VAL A 56 -9.535 0.390 -9.249 1.00 0.00 C ATOM 867 CG2 VAL A 56 -8.902 -1.364 -10.890 1.00 0.00 C ATOM 0 H VAL A 56 -8.705 -1.108 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.231 -2.159 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.881 -0.800 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.383 1.134 -10.031 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.324 0.726 -8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.610 0.260 -8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.773 -0.579 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.953 -1.545 -10.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.233 -2.279 -11.381 1.00 0.00 H new ATOM 877 N CYS A 57 -8.461 -3.686 -8.574 1.00 0.00 N ATOM 878 CA CYS A 57 -7.714 -4.880 -8.892 1.00 0.00 C ATOM 879 C CYS A 57 -7.348 -5.572 -7.595 1.00 0.00 C ATOM 880 O CYS A 57 -8.148 -5.537 -6.668 1.00 0.00 O ATOM 881 CB CYS A 57 -6.487 -4.533 -9.724 1.00 0.00 C ATOM 882 SG CYS A 57 -6.866 -4.009 -11.410 1.00 0.00 S ATOM 0 H CYS A 57 -8.073 -3.147 -7.800 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.317 -5.560 -9.494 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.934 -3.738 -9.223 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.830 -5.402 -9.764 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.766 -3.938 -12.100 1.00 0.00 H new ATOM 888 N GLU A 58 -6.164 -6.172 -7.488 1.00 0.00 N ATOM 889 CA GLU A 58 -5.879 -7.019 -6.347 1.00 0.00 C ATOM 890 C GLU A 58 -4.572 -6.644 -5.658 1.00 0.00 C ATOM 891 O GLU A 58 -3.611 -6.226 -6.300 1.00 0.00 O ATOM 892 CB GLU A 58 -5.826 -8.472 -6.806 1.00 0.00 C ATOM 893 CG GLU A 58 -5.593 -9.453 -5.685 1.00 0.00 C ATOM 894 CD GLU A 58 -6.713 -9.439 -4.664 1.00 0.00 C ATOM 895 OE1 GLU A 58 -6.733 -8.530 -3.806 1.00 0.00 O ATOM 896 OE2 GLU A 58 -7.594 -10.317 -4.730 1.00 0.00 O ATOM 0 H GLU A 58 -5.406 -6.087 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.677 -6.878 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.762 -8.720 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.032 -8.582 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.494 -10.457 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.651 -9.218 -5.190 1.00 0.00 H new ATOM 903 N ILE A 59 -4.543 -6.811 -4.342 1.00 0.00 N ATOM 904 CA ILE A 59 -3.344 -6.614 -3.578 1.00 0.00 C ATOM 905 C ILE A 59 -2.650 -7.966 -3.427 1.00 0.00 C ATOM 906 O ILE A 59 -3.299 -8.982 -3.177 1.00 0.00 O ATOM 907 CB ILE A 59 -3.654 -5.977 -2.193 1.00 0.00 C ATOM 908 CG1 ILE A 59 -3.624 -7.001 -1.055 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.996 -5.246 -2.199 1.00 0.00 C ATOM 910 CD1 ILE A 59 -2.402 -6.873 -0.165 1.00 0.00 C ATOM 0 H ILE A 59 -5.353 -7.086 -3.787 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.685 -5.918 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.859 -5.254 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.521 -6.885 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.653 -8.005 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.179 -4.814 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.975 -4.452 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.793 -5.950 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.443 -7.628 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.501 -7.018 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.383 -5.881 0.286 1.00 0.00 H new ATOM 922 N LYS A 60 -1.348 -7.995 -3.627 1.00 0.00 N ATOM 923 CA LYS A 60 -0.610 -9.245 -3.565 1.00 0.00 C ATOM 924 C LYS A 60 0.346 -9.223 -2.387 1.00 0.00 C ATOM 925 O LYS A 60 0.855 -8.173 -2.009 1.00 0.00 O ATOM 926 CB LYS A 60 0.173 -9.465 -4.859 1.00 0.00 C ATOM 927 CG LYS A 60 -0.649 -9.314 -6.123 1.00 0.00 C ATOM 928 CD LYS A 60 -1.794 -10.301 -6.186 1.00 0.00 C ATOM 929 CE LYS A 60 -1.712 -11.130 -7.449 1.00 0.00 C ATOM 930 NZ LYS A 60 -2.643 -12.291 -7.423 1.00 0.00 N ATOM 0 H LYS A 60 -0.780 -7.173 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.320 -10.063 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.001 -8.757 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.608 -10.464 -4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.044 -8.299 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.005 -9.453 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.767 -10.954 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.744 -9.767 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.942 -10.501 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.691 -11.488 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.552 -12.829 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.408 -12.906 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.621 -11.950 -7.325 1.00 0.00 H new ATOM 944 N VAL A 61 0.563 -10.365 -1.770 1.00 0.00 N ATOM 945 CA VAL A 61 1.514 -10.447 -0.680 1.00 0.00 C ATOM 946 C VAL A 61 2.285 -11.761 -0.760 1.00 0.00 C ATOM 947 O VAL A 61 1.691 -12.832 -0.901 1.00 0.00 O ATOM 948 CB VAL A 61 0.829 -10.260 0.707 1.00 0.00 C ATOM 949 CG1 VAL A 61 -0.622 -9.858 0.532 1.00 0.00 C ATOM 950 CG2 VAL A 61 0.956 -11.491 1.589 1.00 0.00 C ATOM 0 H VAL A 61 0.099 -11.243 -2.001 1.00 0.00 H new ATOM 0 HA VAL A 61 2.223 -9.625 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 61 1.354 -9.455 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.085 -9.732 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.675 -8.919 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.150 -10.634 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.462 -11.308 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.487 -12.342 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.010 -11.707 1.762 1.00 0.00 H new ATOM 960 N HIS A 62 3.609 -11.678 -0.718 1.00 0.00 N ATOM 961 CA HIS A 62 4.434 -12.873 -0.783 1.00 0.00 C ATOM 962 C HIS A 62 4.475 -13.523 0.591 1.00 0.00 C ATOM 963 O HIS A 62 5.217 -13.089 1.474 1.00 0.00 O ATOM 964 CB HIS A 62 5.850 -12.538 -1.269 1.00 0.00 C ATOM 965 CG HIS A 62 6.537 -13.696 -1.929 1.00 0.00 C ATOM 966 ND1 HIS A 62 7.659 -14.317 -1.417 1.00 0.00 N ATOM 967 CD2 HIS A 62 6.243 -14.350 -3.077 1.00 0.00 C ATOM 968 CE1 HIS A 62 8.017 -15.302 -2.221 1.00 0.00 C ATOM 969 NE2 HIS A 62 7.176 -15.342 -3.233 1.00 0.00 N ATOM 0 H HIS A 62 4.129 -10.804 -0.640 1.00 0.00 H new ATOM 0 HA HIS A 62 4.000 -13.569 -1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.799 -11.706 -1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.449 -12.204 -0.422 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.136 -14.056 -0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.424 -14.131 -3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.858 -15.963 -2.073 1.00 0.00 H new ATOM 978 N SER A 63 3.666 -14.556 0.770 1.00 0.00 N ATOM 979 CA SER A 63 3.468 -15.169 2.077 1.00 0.00 C ATOM 980 C SER A 63 4.574 -16.172 2.400 1.00 0.00 C ATOM 981 O SER A 63 4.310 -17.299 2.820 1.00 0.00 O ATOM 982 CB SER A 63 2.102 -15.848 2.115 1.00 0.00 C ATOM 983 OG SER A 63 1.096 -14.966 1.647 1.00 0.00 O ATOM 0 H SER A 63 3.131 -14.992 0.019 1.00 0.00 H new ATOM 0 HA SER A 63 3.509 -14.387 2.836 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.119 -16.748 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.874 -16.162 3.134 1.00 0.00 H new ATOM 0 HG SER A 63 0.226 -15.417 1.676 1.00 0.00 H new ATOM 989 N ALA A 64 5.807 -15.748 2.199 1.00 0.00 N ATOM 990 CA ALA A 64 6.964 -16.565 2.518 1.00 0.00 C ATOM 991 C ALA A 64 8.109 -15.673 2.967 1.00 0.00 C ATOM 992 O ALA A 64 9.260 -16.102 3.037 1.00 0.00 O ATOM 993 CB ALA A 64 7.373 -17.396 1.311 1.00 0.00 C ATOM 0 H ALA A 64 6.035 -14.832 1.812 1.00 0.00 H new ATOM 0 HA ALA A 64 6.709 -17.247 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.242 -18.003 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.548 -18.046 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.623 -16.734 0.482 1.00 0.00 H new ATOM 999 N ASP A 65 7.769 -14.429 3.284 1.00 0.00 N ATOM 1000 CA ASP A 65 8.753 -13.411 3.637 1.00 0.00 C ATOM 1001 C ASP A 65 8.177 -12.480 4.686 1.00 0.00 C ATOM 1002 O ASP A 65 6.961 -12.396 4.845 1.00 0.00 O ATOM 1003 CB ASP A 65 9.146 -12.595 2.404 1.00 0.00 C ATOM 1004 CG ASP A 65 10.001 -13.370 1.430 1.00 0.00 C ATOM 1005 OD1 ASP A 65 11.219 -13.501 1.671 1.00 0.00 O ATOM 1006 OD2 ASP A 65 9.462 -13.846 0.410 1.00 0.00 O ATOM 0 H ASP A 65 6.805 -14.097 3.304 1.00 0.00 H new ATOM 0 HA ASP A 65 9.638 -13.910 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.243 -12.257 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.686 -11.703 2.723 1.00 0.00 H new ATOM 1011 N ASN A 66 9.051 -11.778 5.395 1.00 0.00 N ATOM 1012 CA ASN A 66 8.616 -10.873 6.452 1.00 0.00 C ATOM 1013 C ASN A 66 8.404 -9.464 5.931 1.00 0.00 C ATOM 1014 O ASN A 66 7.660 -8.689 6.525 1.00 0.00 O ATOM 1015 CB ASN A 66 9.626 -10.826 7.598 1.00 0.00 C ATOM 1016 CG ASN A 66 9.672 -12.102 8.409 1.00 0.00 C ATOM 1017 OD1 ASN A 66 8.710 -12.872 8.449 1.00 0.00 O ATOM 1018 ND2 ASN A 66 10.781 -12.322 9.089 1.00 0.00 N ATOM 0 H ASN A 66 10.061 -11.817 5.259 1.00 0.00 H new ATOM 0 HA ASN A 66 7.668 -11.265 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.617 -10.627 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.379 -9.994 8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.864 -13.153 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.555 -11.661 9.030 1.00 0.00 H new ATOM 1025 N THR A 67 9.058 -9.119 4.833 1.00 0.00 N ATOM 1026 CA THR A 67 8.977 -7.763 4.314 1.00 0.00 C ATOM 1027 C THR A 67 8.844 -7.736 2.790 1.00 0.00 C ATOM 1028 O THR A 67 9.536 -6.983 2.120 1.00 0.00 O ATOM 1029 CB THR A 67 10.207 -6.933 4.750 1.00 0.00 C ATOM 1030 OG1 THR A 67 11.418 -7.644 4.461 1.00 0.00 O ATOM 1031 CG2 THR A 67 10.153 -6.604 6.239 1.00 0.00 C ATOM 0 H THR A 67 9.645 -9.752 4.289 1.00 0.00 H new ATOM 0 HA THR A 67 8.076 -7.317 4.735 1.00 0.00 H new ATOM 0 HB THR A 67 10.191 -6.000 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.053 -7.521 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.031 -6.020 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.253 -6.028 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.137 -7.529 6.816 1.00 0.00 H new ATOM 1039 N ARG A 68 7.953 -8.554 2.241 1.00 0.00 N ATOM 1040 CA ARG A 68 7.712 -8.544 0.797 1.00 0.00 C ATOM 1041 C ARG A 68 6.222 -8.592 0.479 1.00 0.00 C ATOM 1042 O ARG A 68 5.507 -9.500 0.912 1.00 0.00 O ATOM 1043 CB ARG A 68 8.434 -9.703 0.103 1.00 0.00 C ATOM 1044 CG ARG A 68 9.937 -9.502 -0.014 1.00 0.00 C ATOM 1045 CD ARG A 68 10.613 -10.673 -0.708 1.00 0.00 C ATOM 1046 NE ARG A 68 10.120 -10.873 -2.073 1.00 0.00 N ATOM 1047 CZ ARG A 68 10.243 -12.017 -2.745 1.00 0.00 C ATOM 1048 NH1 ARG A 68 10.843 -13.058 -2.182 1.00 0.00 N ATOM 1049 NH2 ARG A 68 9.764 -12.117 -3.978 1.00 0.00 N ATOM 0 H ARG A 68 7.390 -9.226 2.763 1.00 0.00 H new ATOM 0 HA ARG A 68 8.115 -7.606 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.241 -10.623 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.015 -9.836 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.139 -8.586 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.365 -9.373 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.689 -10.504 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.447 -11.581 -0.128 1.00 0.00 H new ATOM 0 HE ARG A 68 9.656 -10.091 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.211 -12.983 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.936 -13.933 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.301 -11.318 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.858 -12.993 -4.492 1.00 0.00 H new ATOM 1063 N MET A 69 5.761 -7.592 -0.265 1.00 0.00 N ATOM 1064 CA MET A 69 4.368 -7.500 -0.692 1.00 0.00 C ATOM 1065 C MET A 69 4.325 -6.977 -2.119 1.00 0.00 C ATOM 1066 O MET A 69 5.358 -6.570 -2.656 1.00 0.00 O ATOM 1067 CB MET A 69 3.579 -6.560 0.216 1.00 0.00 C ATOM 1068 CG MET A 69 3.844 -6.791 1.689 1.00 0.00 C ATOM 1069 SD MET A 69 4.993 -5.590 2.372 1.00 0.00 S ATOM 1070 CE MET A 69 3.921 -4.164 2.405 1.00 0.00 C ATOM 0 H MET A 69 6.344 -6.820 -0.590 1.00 0.00 H new ATOM 0 HA MET A 69 3.916 -8.490 -0.635 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.829 -5.529 -0.034 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.514 -6.686 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.903 -6.743 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.244 -7.795 1.831 1.00 0.00 H new ATOM 0 HE1 MET A 69 4.158 -3.511 1.565 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.883 -4.488 2.332 1.00 0.00 H new ATOM 0 HE3 MET A 69 4.067 -3.621 3.339 1.00 0.00 H new ATOM 1080 N GLU A 70 3.147 -6.975 -2.731 1.00 0.00 N ATOM 1081 CA GLU A 70 3.024 -6.547 -4.119 1.00 0.00 C ATOM 1082 C GLU A 70 1.643 -5.967 -4.398 1.00 0.00 C ATOM 1083 O GLU A 70 0.724 -6.098 -3.594 1.00 0.00 O ATOM 1084 CB GLU A 70 3.288 -7.702 -5.102 1.00 0.00 C ATOM 1085 CG GLU A 70 3.745 -9.006 -4.463 1.00 0.00 C ATOM 1086 CD GLU A 70 3.934 -10.106 -5.484 1.00 0.00 C ATOM 1087 OE1 GLU A 70 4.937 -10.067 -6.225 1.00 0.00 O ATOM 1088 OE2 GLU A 70 3.080 -11.015 -5.558 1.00 0.00 O ATOM 0 H GLU A 70 2.271 -7.262 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 70 3.780 -5.776 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.375 -7.893 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.045 -7.382 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.683 -8.840 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.011 -9.322 -3.722 1.00 0.00 H new ATOM 1095 N LEU A 71 1.508 -5.307 -5.531 1.00 0.00 N ATOM 1096 CA LEU A 71 0.212 -4.818 -5.975 1.00 0.00 C ATOM 1097 C LEU A 71 0.015 -5.068 -7.462 1.00 0.00 C ATOM 1098 O LEU A 71 0.932 -4.876 -8.262 1.00 0.00 O ATOM 1099 CB LEU A 71 0.074 -3.321 -5.706 1.00 0.00 C ATOM 1100 CG LEU A 71 -1.116 -2.912 -4.837 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -2.414 -3.489 -5.368 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -0.896 -3.326 -3.404 1.00 0.00 C ATOM 0 H LEU A 71 2.279 -5.095 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.548 -5.361 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.988 -2.971 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.003 -2.804 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.196 -1.826 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.239 -3.179 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.586 -3.126 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.351 -4.577 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.754 -3.026 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.777 -4.408 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.003 -2.844 -3.020 1.00 0.00 H new ATOM 1114 N ILE A 72 -1.178 -5.512 -7.824 1.00 0.00 N ATOM 1115 CA ILE A 72 -1.567 -5.616 -9.205 1.00 0.00 C ATOM 1116 C ILE A 72 -2.724 -4.664 -9.463 1.00 0.00 C ATOM 1117 O ILE A 72 -3.778 -4.758 -8.841 1.00 0.00 O ATOM 1118 CB ILE A 72 -1.869 -7.084 -9.592 1.00 0.00 C ATOM 1119 CG1 ILE A 72 -3.145 -7.621 -8.986 1.00 0.00 C ATOM 1120 CG2 ILE A 72 -0.742 -7.953 -9.129 1.00 0.00 C ATOM 1121 CD1 ILE A 72 -4.330 -7.432 -9.878 1.00 0.00 C ATOM 0 H ILE A 72 -1.897 -5.808 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.744 -5.316 -9.854 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.986 -7.098 -10.676 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.022 -8.683 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.328 -7.123 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.947 -8.989 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.185 -7.631 -9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.641 -7.872 -8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.219 -7.836 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.474 -6.369 -10.072 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.163 -7.953 -10.821 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.475 -3.668 -10.303 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.451 -2.632 -10.572 1.00 0.00 C ATOM 1135 C ILE A 73 -3.512 -2.353 -12.083 1.00 0.00 C ATOM 1136 O ILE A 73 -2.614 -2.768 -12.819 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.122 -1.347 -9.754 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -1.874 -0.648 -10.258 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -2.947 -1.672 -8.288 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.166 0.340 -11.358 1.00 0.00 C ATOM 0 H ILE A 73 -1.597 -3.560 -10.811 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.437 -2.971 -10.255 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.969 -0.673 -9.885 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.392 -0.130 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.167 -1.393 -10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.718 -0.759 -7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.867 -2.109 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.129 -2.383 -8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.237 0.811 -11.680 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.622 -0.179 -12.201 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.850 1.104 -10.989 1.00 0.00 H new ATOM 1152 N PRO A 74 -4.561 -1.654 -12.565 1.00 0.00 N ATOM 1153 CA PRO A 74 -4.819 -1.462 -14.003 1.00 0.00 C ATOM 1154 C PRO A 74 -3.697 -0.763 -14.763 1.00 0.00 C ATOM 1155 O PRO A 74 -3.171 0.265 -14.332 1.00 0.00 O ATOM 1156 CB PRO A 74 -6.074 -0.583 -14.011 1.00 0.00 C ATOM 1157 CG PRO A 74 -6.063 0.075 -12.688 1.00 0.00 C ATOM 1158 CD PRO A 74 -5.607 -0.993 -11.769 1.00 0.00 C ATOM 0 HA PRO A 74 -4.917 -2.424 -14.507 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.044 0.147 -14.820 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.976 -1.178 -14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.389 0.932 -12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.052 0.443 -12.415 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.215 -0.589 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.414 -1.677 -11.506 1.00 0.00 H new ATOM 1166 N GLY A 75 -3.330 -1.339 -15.899 1.00 0.00 N ATOM 1167 CA GLY A 75 -2.419 -0.681 -16.812 1.00 0.00 C ATOM 1168 C GLY A 75 -0.969 -1.051 -16.590 1.00 0.00 C ATOM 1169 O GLY A 75 -0.179 -1.055 -17.534 1.00 0.00 O ATOM 0 H GLY A 75 -3.650 -2.258 -16.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.697 -0.933 -17.835 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.530 0.398 -16.708 1.00 0.00 H new ATOM 1173 N GLU A 76 -0.611 -1.369 -15.355 1.00 0.00 N ATOM 1174 CA GLU A 76 0.781 -1.634 -15.023 1.00 0.00 C ATOM 1175 C GLU A 76 0.908 -2.497 -13.770 1.00 0.00 C ATOM 1176 O GLU A 76 1.533 -2.099 -12.787 1.00 0.00 O ATOM 1177 CB GLU A 76 1.527 -0.305 -14.846 1.00 0.00 C ATOM 1178 CG GLU A 76 0.873 0.644 -13.850 1.00 0.00 C ATOM 1179 CD GLU A 76 1.512 2.015 -13.846 1.00 0.00 C ATOM 1180 OE1 GLU A 76 2.693 2.127 -13.449 1.00 0.00 O ATOM 1181 OE2 GLU A 76 0.838 2.990 -14.241 1.00 0.00 O ATOM 0 H GLU A 76 -1.259 -1.449 -14.572 1.00 0.00 H new ATOM 0 HA GLU A 76 1.230 -2.194 -15.844 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.546 -0.513 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.598 0.192 -15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.186 0.742 -14.089 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.936 0.215 -12.850 1.00 0.00 H new ATOM 1188 N GLN A 77 0.314 -3.685 -13.807 1.00 0.00 N ATOM 1189 CA GLN A 77 0.404 -4.603 -12.679 1.00 0.00 C ATOM 1190 C GLN A 77 1.836 -5.127 -12.519 1.00 0.00 C ATOM 1191 O GLN A 77 2.271 -6.046 -13.220 1.00 0.00 O ATOM 1192 CB GLN A 77 -0.601 -5.752 -12.829 1.00 0.00 C ATOM 1193 CG GLN A 77 -0.447 -6.555 -14.108 1.00 0.00 C ATOM 1194 CD GLN A 77 -1.515 -7.622 -14.268 1.00 0.00 C ATOM 1195 OE1 GLN A 77 -2.718 -7.341 -13.789 1.00 0.00 O flip ATOM 1196 NE2 GLN A 77 -1.268 -8.684 -14.838 1.00 0.00 N flip ATOM 0 H GLN A 77 -0.229 -4.032 -14.597 1.00 0.00 H new ATOM 0 HA GLN A 77 0.147 -4.058 -11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.496 -6.424 -11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.611 -5.343 -12.790 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.485 -5.879 -14.962 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.535 -7.027 -14.119 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.330 -8.865 -15.194 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.002 -9.383 -14.955 1.00 0.00 H new ATOM 1205 N HIS A 78 2.564 -4.510 -11.596 1.00 0.00 N ATOM 1206 CA HIS A 78 3.954 -4.854 -11.322 1.00 0.00 C ATOM 1207 C HIS A 78 4.474 -3.972 -10.192 1.00 0.00 C ATOM 1208 O HIS A 78 5.022 -2.899 -10.439 1.00 0.00 O ATOM 1209 CB HIS A 78 4.817 -4.649 -12.579 1.00 0.00 C ATOM 1210 CG HIS A 78 6.270 -4.975 -12.394 1.00 0.00 C ATOM 1211 ND1 HIS A 78 7.209 -4.042 -12.007 1.00 0.00 N ATOM 1212 CD2 HIS A 78 6.948 -6.134 -12.559 1.00 0.00 C ATOM 1213 CE1 HIS A 78 8.395 -4.612 -11.945 1.00 0.00 C ATOM 1214 NE2 HIS A 78 8.267 -5.884 -12.274 1.00 0.00 N ATOM 0 H HIS A 78 2.205 -3.753 -11.014 1.00 0.00 H new ATOM 0 HA HIS A 78 4.011 -5.903 -11.030 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.418 -5.267 -13.383 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.728 -3.611 -12.900 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.528 -7.082 -12.860 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.317 -4.121 -11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.023 -6.568 -12.310 1.00 0.00 H new ATOM 1223 N PHE A 79 4.292 -4.416 -8.959 1.00 0.00 N ATOM 1224 CA PHE A 79 4.725 -3.633 -7.810 1.00 0.00 C ATOM 1225 C PHE A 79 5.368 -4.521 -6.764 1.00 0.00 C ATOM 1226 O PHE A 79 4.684 -5.183 -5.999 1.00 0.00 O ATOM 1227 CB PHE A 79 3.540 -2.846 -7.217 1.00 0.00 C ATOM 1228 CG PHE A 79 3.055 -1.778 -8.151 1.00 0.00 C ATOM 1229 CD1 PHE A 79 3.721 -0.566 -8.232 1.00 0.00 C ATOM 1230 CD2 PHE A 79 1.957 -1.991 -8.966 1.00 0.00 C ATOM 1231 CE1 PHE A 79 3.299 0.411 -9.108 1.00 0.00 C ATOM 1232 CE2 PHE A 79 1.530 -1.014 -9.841 1.00 0.00 C ATOM 1233 CZ PHE A 79 2.202 0.188 -9.913 1.00 0.00 C ATOM 0 H PHE A 79 3.851 -5.306 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 79 5.475 -2.916 -8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.723 -3.533 -6.995 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.841 -2.393 -6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.580 -0.385 -7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.429 -2.932 -8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.828 1.351 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.670 -1.190 -10.470 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.870 0.953 -10.599 1.00 0.00 H new ATOM 1243 N TYR A 80 6.692 -4.548 -6.763 1.00 0.00 N ATOM 1244 CA TYR A 80 7.442 -5.256 -5.739 1.00 0.00 C ATOM 1245 C TYR A 80 7.957 -4.257 -4.727 1.00 0.00 C ATOM 1246 O TYR A 80 8.593 -3.263 -5.092 1.00 0.00 O ATOM 1247 CB TYR A 80 8.627 -6.015 -6.335 1.00 0.00 C ATOM 1248 CG TYR A 80 8.246 -7.132 -7.278 1.00 0.00 C ATOM 1249 CD1 TYR A 80 7.984 -8.406 -6.796 1.00 0.00 C ATOM 1250 CD2 TYR A 80 8.166 -6.919 -8.649 1.00 0.00 C ATOM 1251 CE1 TYR A 80 7.653 -9.437 -7.651 1.00 0.00 C ATOM 1252 CE2 TYR A 80 7.831 -7.946 -9.508 1.00 0.00 C ATOM 1253 CZ TYR A 80 7.576 -9.202 -9.004 1.00 0.00 C ATOM 1254 OH TYR A 80 7.252 -10.233 -9.857 1.00 0.00 O ATOM 0 H TYR A 80 7.271 -4.085 -7.464 1.00 0.00 H new ATOM 0 HA TYR A 80 6.776 -5.978 -5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.264 -5.309 -6.867 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.222 -6.430 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.040 -8.594 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.369 -5.936 -9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.455 -10.424 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.769 -7.765 -10.571 1.00 0.00 H new ATOM 0 HH TYR A 80 7.238 -9.902 -10.779 1.00 0.00 H new ATOM 1264 N MET A 81 7.685 -4.506 -3.464 1.00 0.00 N ATOM 1265 CA MET A 81 8.072 -3.571 -2.428 1.00 0.00 C ATOM 1266 C MET A 81 8.318 -4.271 -1.099 1.00 0.00 C ATOM 1267 O MET A 81 7.636 -5.233 -0.738 1.00 0.00 O ATOM 1268 CB MET A 81 7.016 -2.476 -2.290 1.00 0.00 C ATOM 1269 CG MET A 81 5.647 -2.989 -1.907 1.00 0.00 C ATOM 1270 SD MET A 81 4.337 -1.846 -2.364 1.00 0.00 S ATOM 1271 CE MET A 81 2.936 -2.678 -1.637 1.00 0.00 C ATOM 0 H MET A 81 7.202 -5.340 -3.131 1.00 0.00 H new ATOM 0 HA MET A 81 9.015 -3.111 -2.722 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.347 -1.758 -1.539 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.940 -1.937 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.473 -3.950 -2.391 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.615 -3.164 -0.832 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.195 -1.941 -1.328 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.493 -3.353 -2.370 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.263 -3.250 -0.769 1.00 0.00 H new ATOM 1281 N LYS A 82 9.323 -3.779 -0.399 1.00 0.00 N ATOM 1282 CA LYS A 82 9.708 -4.277 0.907 1.00 0.00 C ATOM 1283 C LYS A 82 9.255 -3.289 1.967 1.00 0.00 C ATOM 1284 O LYS A 82 9.404 -2.085 1.794 1.00 0.00 O ATOM 1285 CB LYS A 82 11.229 -4.434 0.977 1.00 0.00 C ATOM 1286 CG LYS A 82 11.730 -4.930 2.305 1.00 0.00 C ATOM 1287 CD LYS A 82 13.240 -4.886 2.356 1.00 0.00 C ATOM 1288 CE LYS A 82 13.715 -5.119 3.761 1.00 0.00 C ATOM 1289 NZ LYS A 82 15.180 -5.351 3.832 1.00 0.00 N ATOM 0 H LYS A 82 9.905 -3.008 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 82 9.241 -5.247 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.549 -5.126 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.694 -3.472 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.316 -4.319 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.385 -5.950 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.656 -5.644 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.596 -3.920 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.456 -4.258 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.193 -5.979 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.459 -5.507 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.427 -6.188 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.682 -4.521 3.457 1.00 0.00 H new ATOM 1303 N ALA A 83 8.704 -3.776 3.057 1.00 0.00 N ATOM 1304 CA ALA A 83 8.228 -2.880 4.089 1.00 0.00 C ATOM 1305 C ALA A 83 9.312 -2.564 5.101 1.00 0.00 C ATOM 1306 O ALA A 83 10.269 -3.324 5.255 1.00 0.00 O ATOM 1307 CB ALA A 83 7.002 -3.438 4.781 1.00 0.00 C ATOM 0 H ALA A 83 8.576 -4.769 3.251 1.00 0.00 H new ATOM 0 HA ALA A 83 7.948 -1.948 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.670 -2.741 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.205 -3.580 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.248 -4.395 5.240 1.00 0.00 H new ATOM 1313 N VAL A 84 9.162 -1.426 5.758 1.00 0.00 N ATOM 1314 CA VAL A 84 10.060 -1.002 6.818 1.00 0.00 C ATOM 1315 C VAL A 84 10.320 -2.130 7.825 1.00 0.00 C ATOM 1316 O VAL A 84 11.466 -2.417 8.185 1.00 0.00 O ATOM 1317 CB VAL A 84 9.460 0.238 7.497 1.00 0.00 C ATOM 1318 CG1 VAL A 84 9.566 0.200 9.006 1.00 0.00 C ATOM 1319 CG2 VAL A 84 10.069 1.489 6.941 1.00 0.00 C ATOM 0 H VAL A 84 8.408 -0.766 5.569 1.00 0.00 H new ATOM 0 HA VAL A 84 11.031 -0.748 6.392 1.00 0.00 H new ATOM 0 HB VAL A 84 8.394 0.235 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.124 1.104 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.035 -0.673 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.615 0.141 9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.631 2.357 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.145 1.478 7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.874 1.544 5.870 1.00 0.00 H new ATOM 1329 N ASN A 85 9.248 -2.784 8.229 1.00 0.00 N ATOM 1330 CA ASN A 85 9.311 -3.912 9.146 1.00 0.00 C ATOM 1331 C ASN A 85 8.341 -4.989 8.698 1.00 0.00 C ATOM 1332 O ASN A 85 7.769 -4.893 7.612 1.00 0.00 O ATOM 1333 CB ASN A 85 8.997 -3.497 10.587 1.00 0.00 C ATOM 1334 CG ASN A 85 10.212 -2.987 11.334 1.00 0.00 C ATOM 1335 OD1 ASN A 85 10.351 -1.676 11.421 1.00 0.00 O flip ATOM 1336 ND2 ASN A 85 11.008 -3.771 11.851 1.00 0.00 N flip ATOM 0 H ASN A 85 8.302 -2.548 7.930 1.00 0.00 H new ATOM 0 HA ASN A 85 10.330 -4.298 9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.231 -2.721 10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 85 8.580 -4.350 11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.865 -4.777 11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.811 -3.415 12.370 1.00 0.00 H new ATOM 1343 N ALA A 86 8.124 -5.994 9.519 1.00 0.00 N ATOM 1344 CA ALA A 86 7.287 -7.104 9.108 1.00 0.00 C ATOM 1345 C ALA A 86 5.823 -6.865 9.412 1.00 0.00 C ATOM 1346 O ALA A 86 4.954 -7.202 8.609 1.00 0.00 O ATOM 1347 CB ALA A 86 7.766 -8.380 9.740 1.00 0.00 C ATOM 0 H ALA A 86 8.508 -6.067 10.461 1.00 0.00 H new ATOM 0 HA ALA A 86 7.372 -7.193 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.128 -9.205 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.793 -8.576 9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.725 -8.286 10.825 1.00 0.00 H new ATOM 1353 N ALA A 87 5.529 -6.292 10.559 1.00 0.00 N ATOM 1354 CA ALA A 87 4.167 -5.875 10.826 1.00 0.00 C ATOM 1355 C ALA A 87 3.854 -4.663 9.985 1.00 0.00 C ATOM 1356 O ALA A 87 2.702 -4.314 9.772 1.00 0.00 O ATOM 1357 CB ALA A 87 3.953 -5.559 12.275 1.00 0.00 C ATOM 0 H ALA A 87 6.197 -6.107 11.307 1.00 0.00 H new ATOM 0 HA ALA A 87 3.499 -6.698 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.919 -5.251 12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.162 -6.444 12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.622 -4.752 12.574 1.00 0.00 H new ATOM 1363 N GLU A 88 4.915 -4.026 9.524 1.00 0.00 N ATOM 1364 CA GLU A 88 4.802 -2.949 8.542 1.00 0.00 C ATOM 1365 C GLU A 88 4.214 -3.542 7.287 1.00 0.00 C ATOM 1366 O GLU A 88 3.225 -3.058 6.744 1.00 0.00 O ATOM 1367 CB GLU A 88 6.172 -2.386 8.197 1.00 0.00 C ATOM 1368 CG GLU A 88 6.296 -0.884 8.250 1.00 0.00 C ATOM 1369 CD GLU A 88 5.050 -0.130 7.842 1.00 0.00 C ATOM 1370 OE1 GLU A 88 4.180 0.097 8.709 1.00 0.00 O ATOM 1371 OE2 GLU A 88 4.968 0.291 6.672 1.00 0.00 O ATOM 0 H GLU A 88 5.871 -4.233 9.812 1.00 0.00 H new ATOM 0 HA GLU A 88 4.183 -2.150 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.904 -2.817 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.439 -2.719 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.565 -0.591 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.117 -0.578 7.602 1.00 0.00 H new ATOM 1378 N ARG A 89 4.872 -4.607 6.842 1.00 0.00 N ATOM 1379 CA ARG A 89 4.358 -5.440 5.761 1.00 0.00 C ATOM 1380 C ARG A 89 2.881 -5.722 5.985 1.00 0.00 C ATOM 1381 O ARG A 89 2.047 -5.437 5.124 1.00 0.00 O ATOM 1382 CB ARG A 89 5.138 -6.760 5.687 1.00 0.00 C ATOM 1383 CG ARG A 89 4.465 -7.826 4.835 1.00 0.00 C ATOM 1384 CD ARG A 89 5.191 -9.157 4.913 1.00 0.00 C ATOM 1385 NE ARG A 89 4.504 -10.210 4.162 1.00 0.00 N ATOM 1386 CZ ARG A 89 3.918 -11.268 4.732 1.00 0.00 C ATOM 1387 NH1 ARG A 89 3.934 -11.415 6.052 1.00 0.00 N ATOM 1388 NH2 ARG A 89 3.326 -12.187 3.981 1.00 0.00 N ATOM 0 H ARG A 89 5.769 -4.915 7.217 1.00 0.00 H new ATOM 0 HA ARG A 89 4.482 -4.908 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.132 -6.562 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.274 -7.148 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.434 -7.955 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.429 -7.492 3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.203 -9.039 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.282 -9.458 5.957 1.00 0.00 H new ATOM 0 HE ARG A 89 4.471 -10.132 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.395 -10.718 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.485 -12.224 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.317 -12.088 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.880 -12.993 4.419 1.00 0.00 H new ATOM 1402 N GLN A 90 2.575 -6.235 7.174 1.00 0.00 N ATOM 1403 CA GLN A 90 1.236 -6.588 7.566 1.00 0.00 C ATOM 1404 C GLN A 90 0.289 -5.422 7.402 1.00 0.00 C ATOM 1405 O GLN A 90 -0.693 -5.518 6.682 1.00 0.00 O ATOM 1406 CB GLN A 90 1.323 -6.999 9.016 1.00 0.00 C ATOM 1407 CG GLN A 90 0.012 -7.110 9.724 1.00 0.00 C ATOM 1408 CD GLN A 90 -0.719 -8.409 9.433 1.00 0.00 C ATOM 1409 OE1 GLN A 90 -0.561 -9.003 8.365 1.00 0.00 O ATOM 1410 NE2 GLN A 90 -1.551 -8.838 10.365 1.00 0.00 N ATOM 0 H GLN A 90 3.272 -6.416 7.897 1.00 0.00 H new ATOM 0 HA GLN A 90 0.846 -7.391 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.832 -7.961 9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.944 -6.277 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.179 -7.028 10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.622 -6.272 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.653 -8.317 11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.091 -9.690 10.214 1.00 0.00 H new ATOM 1419 N ARG A 91 0.614 -4.340 8.085 1.00 0.00 N ATOM 1420 CA ARG A 91 -0.095 -3.088 8.014 1.00 0.00 C ATOM 1421 C ARG A 91 -0.597 -2.751 6.617 1.00 0.00 C ATOM 1422 O ARG A 91 -1.725 -2.280 6.453 1.00 0.00 O ATOM 1423 CB ARG A 91 0.868 -2.044 8.490 1.00 0.00 C ATOM 1424 CG ARG A 91 0.841 -1.820 9.965 1.00 0.00 C ATOM 1425 CD ARG A 91 2.109 -1.148 10.421 1.00 0.00 C ATOM 1426 NE ARG A 91 2.003 -0.605 11.769 1.00 0.00 N ATOM 1427 CZ ARG A 91 2.819 0.327 12.247 1.00 0.00 C ATOM 1428 NH1 ARG A 91 3.808 0.795 11.491 1.00 0.00 N ATOM 1429 NH2 ARG A 91 2.643 0.799 13.474 1.00 0.00 N ATOM 0 H ARG A 91 1.408 -4.314 8.725 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.994 -3.143 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.877 -2.334 8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.646 -1.103 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.019 -1.204 10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.722 -2.773 10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.929 -1.866 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.359 -0.344 9.728 1.00 0.00 H new ATOM 0 HE ARG A 91 1.264 -0.959 12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.939 0.438 10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.435 1.511 11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.880 0.446 14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.271 1.515 13.840 1.00 0.00 H new ATOM 1443 N TRP A 92 0.227 -2.993 5.612 1.00 0.00 N ATOM 1444 CA TRP A 92 -0.156 -2.706 4.257 1.00 0.00 C ATOM 1445 C TRP A 92 -1.185 -3.700 3.742 1.00 0.00 C ATOM 1446 O TRP A 92 -2.247 -3.283 3.282 1.00 0.00 O ATOM 1447 CB TRP A 92 1.070 -2.688 3.379 1.00 0.00 C ATOM 1448 CG TRP A 92 1.903 -1.462 3.591 1.00 0.00 C ATOM 1449 CD1 TRP A 92 3.104 -1.383 4.233 1.00 0.00 C ATOM 1450 CD2 TRP A 92 1.577 -0.130 3.195 1.00 0.00 C ATOM 1451 NE1 TRP A 92 3.552 -0.086 4.240 1.00 0.00 N ATOM 1452 CE2 TRP A 92 2.631 0.703 3.608 1.00 0.00 C ATOM 1453 CE3 TRP A 92 0.497 0.434 2.525 1.00 0.00 C ATOM 1454 CZ2 TRP A 92 2.631 2.071 3.370 1.00 0.00 C ATOM 1455 CZ3 TRP A 92 0.493 1.793 2.290 1.00 0.00 C ATOM 1456 CH2 TRP A 92 1.556 2.598 2.709 1.00 0.00 C ATOM 0 H TRP A 92 1.162 -3.387 5.717 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.626 -1.723 4.231 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.672 -3.573 3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.766 -2.742 2.334 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.627 -2.220 4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 92 4.429 0.237 4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -0.326 -0.182 2.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 3.450 2.696 3.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.344 2.242 1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.528 3.658 2.507 1.00 0.00 H new ATOM 1467 N LEU A 93 -0.891 -5.007 3.814 1.00 0.00 N ATOM 1468 CA LEU A 93 -1.858 -6.013 3.414 1.00 0.00 C ATOM 1469 C LEU A 93 -3.181 -5.796 4.142 1.00 0.00 C ATOM 1470 O LEU A 93 -4.263 -5.971 3.576 1.00 0.00 O ATOM 1471 CB LEU A 93 -1.336 -7.402 3.732 1.00 0.00 C ATOM 1472 CG LEU A 93 0.000 -7.799 3.102 1.00 0.00 C ATOM 1473 CD1 LEU A 93 0.445 -6.826 2.021 1.00 0.00 C ATOM 1474 CD2 LEU A 93 1.063 -7.977 4.165 1.00 0.00 C ATOM 0 H LEU A 93 0.000 -5.378 4.143 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.018 -5.924 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.240 -7.489 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.088 -8.127 3.419 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.149 -8.759 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.398 -7.154 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.303 -6.795 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.559 -5.831 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.005 -8.259 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.195 -7.041 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.756 -8.759 4.859 1.00 0.00 H new ATOM 1486 N VAL A 94 -3.057 -5.410 5.405 1.00 0.00 N ATOM 1487 CA VAL A 94 -4.165 -5.062 6.247 1.00 0.00 C ATOM 1488 C VAL A 94 -5.022 -3.989 5.603 1.00 0.00 C ATOM 1489 O VAL A 94 -6.167 -4.228 5.253 1.00 0.00 O ATOM 1490 CB VAL A 94 -3.627 -4.584 7.606 1.00 0.00 C ATOM 1491 CG1 VAL A 94 -4.682 -3.863 8.379 1.00 0.00 C ATOM 1492 CG2 VAL A 94 -3.109 -5.753 8.425 1.00 0.00 C ATOM 0 H VAL A 94 -2.154 -5.332 5.873 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.795 -5.939 6.392 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.805 -3.897 7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.273 -3.537 9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.018 -2.995 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.525 -4.531 8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.734 -5.389 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.918 -6.463 8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.303 -6.248 7.884 1.00 0.00 H new ATOM 1502 N ALA A 95 -4.436 -2.829 5.413 1.00 0.00 N ATOM 1503 CA ALA A 95 -5.152 -1.678 4.879 1.00 0.00 C ATOM 1504 C ALA A 95 -5.696 -1.942 3.485 1.00 0.00 C ATOM 1505 O ALA A 95 -6.892 -1.774 3.230 1.00 0.00 O ATOM 1506 CB ALA A 95 -4.246 -0.467 4.855 1.00 0.00 C ATOM 0 H ALA A 95 -3.454 -2.650 5.621 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.001 -1.489 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.791 0.387 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.913 -0.242 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.380 -0.673 4.225 1.00 0.00 H new ATOM 1512 N LEU A 96 -4.805 -2.360 2.598 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.138 -2.609 1.207 1.00 0.00 C ATOM 1514 C LEU A 96 -6.330 -3.568 1.081 1.00 0.00 C ATOM 1515 O LEU A 96 -7.334 -3.258 0.444 1.00 0.00 O ATOM 1516 CB LEU A 96 -3.915 -3.205 0.509 1.00 0.00 C ATOM 1517 CG LEU A 96 -2.695 -2.288 0.458 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -1.449 -3.060 0.076 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -2.923 -1.157 -0.521 1.00 0.00 C ATOM 0 H LEU A 96 -3.827 -2.536 2.826 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.420 -1.667 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.637 -4.128 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.192 -3.475 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.549 -1.871 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.596 -2.382 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.266 -3.843 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.587 -3.511 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.044 -0.513 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.100 -1.567 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.790 -0.575 -0.209 1.00 0.00 H new ATOM 1531 N GLY A 97 -6.215 -4.719 1.724 1.00 0.00 N ATOM 1532 CA GLY A 97 -7.222 -5.761 1.606 1.00 0.00 C ATOM 1533 C GLY A 97 -8.332 -5.654 2.624 1.00 0.00 C ATOM 1534 O GLY A 97 -9.217 -6.496 2.639 1.00 0.00 O ATOM 0 H GLY A 97 -5.433 -4.955 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.654 -5.724 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.740 -6.733 1.709 1.00 0.00 H new ATOM 1538 N SER A 98 -8.269 -4.668 3.508 1.00 0.00 N ATOM 1539 CA SER A 98 -9.400 -4.374 4.382 1.00 0.00 C ATOM 1540 C SER A 98 -10.320 -3.360 3.713 1.00 0.00 C ATOM 1541 O SER A 98 -11.544 -3.489 3.750 1.00 0.00 O ATOM 1542 CB SER A 98 -8.932 -3.842 5.737 1.00 0.00 C ATOM 1543 OG SER A 98 -10.026 -3.590 6.604 1.00 0.00 O ATOM 0 H SER A 98 -7.458 -4.064 3.640 1.00 0.00 H new ATOM 0 HA SER A 98 -9.945 -5.302 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.259 -4.564 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.363 -2.924 5.591 1.00 0.00 H new ATOM 0 HG SER A 98 -9.693 -3.253 7.462 1.00 0.00 H new ATOM 1549 N SER A 99 -9.726 -2.359 3.077 1.00 0.00 N ATOM 1550 CA SER A 99 -10.497 -1.316 2.425 1.00 0.00 C ATOM 1551 C SER A 99 -11.085 -1.832 1.114 1.00 0.00 C ATOM 1552 O SER A 99 -12.222 -1.519 0.767 1.00 0.00 O ATOM 1553 CB SER A 99 -9.621 -0.084 2.183 1.00 0.00 C ATOM 1554 OG SER A 99 -10.397 1.050 1.836 1.00 0.00 O ATOM 0 H SER A 99 -8.715 -2.250 3.000 1.00 0.00 H new ATOM 0 HA SER A 99 -11.322 -1.027 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.041 0.132 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.908 -0.295 1.386 1.00 0.00 H new ATOM 0 HG SER A 99 -11.217 1.061 2.372 1.00 0.00 H new ATOM 1560 N LYS A 100 -10.315 -2.644 0.396 1.00 0.00 N ATOM 1561 CA LYS A 100 -10.796 -3.231 -0.846 1.00 0.00 C ATOM 1562 C LYS A 100 -11.514 -4.552 -0.582 1.00 0.00 C ATOM 1563 O LYS A 100 -12.042 -5.180 -1.495 1.00 0.00 O ATOM 1564 CB LYS A 100 -9.648 -3.468 -1.825 1.00 0.00 C ATOM 1565 CG LYS A 100 -10.098 -4.135 -3.101 1.00 0.00 C ATOM 1566 CD LYS A 100 -9.080 -5.102 -3.631 1.00 0.00 C ATOM 1567 CE LYS A 100 -9.785 -6.370 -4.007 1.00 0.00 C ATOM 1568 NZ LYS A 100 -8.931 -7.282 -4.801 1.00 0.00 N ATOM 0 H LYS A 100 -9.363 -2.908 0.652 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.497 -2.523 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.178 -2.514 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.889 -4.086 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.036 -4.661 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.299 -3.373 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.571 -4.680 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.317 -5.301 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.113 -6.881 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.681 -6.128 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.442 -8.171 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.694 -6.833 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.056 -7.484 -4.276 1.00 0.00 H new ATOM 1582 N ALA A 101 -11.558 -4.968 0.668 1.00 0.00 N ATOM 1583 CA ALA A 101 -12.130 -6.263 1.012 1.00 0.00 C ATOM 1584 C ALA A 101 -13.574 -6.392 0.529 1.00 0.00 C ATOM 1585 O ALA A 101 -14.061 -7.496 0.284 1.00 0.00 O ATOM 1586 CB ALA A 101 -12.052 -6.484 2.503 1.00 0.00 C ATOM 0 H ALA A 101 -11.207 -4.434 1.463 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.546 -7.030 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.482 -7.455 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.010 -6.458 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.608 -5.700 3.017 1.00 0.00 H new ATOM 1592 N CYS A 102 -14.244 -5.255 0.376 1.00 0.00 N ATOM 1593 CA CYS A 102 -15.623 -5.241 -0.081 1.00 0.00 C ATOM 1594 C CYS A 102 -15.703 -5.316 -1.610 1.00 0.00 C ATOM 1595 O CYS A 102 -16.771 -5.573 -2.167 1.00 0.00 O ATOM 1596 CB CYS A 102 -16.335 -3.983 0.426 1.00 0.00 C ATOM 1597 SG CYS A 102 -18.118 -3.970 0.137 1.00 0.00 S ATOM 0 H CYS A 102 -13.852 -4.332 0.563 1.00 0.00 H new ATOM 0 HA CYS A 102 -16.122 -6.121 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -16.151 -3.882 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -15.894 -3.111 -0.057 1.00 0.00 H new ATOM 0 HG CYS A 102 -18.413 -3.034 -0.715 1.00 0.00 H new ATOM 1603 N LEU A 103 -14.578 -5.100 -2.289 1.00 0.00 N ATOM 1604 CA LEU A 103 -14.551 -5.162 -3.748 1.00 0.00 C ATOM 1605 C LEU A 103 -14.167 -6.555 -4.217 1.00 0.00 C ATOM 1606 O LEU A 103 -13.216 -7.158 -3.715 1.00 0.00 O ATOM 1607 CB LEU A 103 -13.583 -4.145 -4.370 1.00 0.00 C ATOM 1608 CG LEU A 103 -13.930 -2.673 -4.194 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -15.428 -2.476 -4.187 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -13.280 -2.116 -2.957 1.00 0.00 C ATOM 0 H LEU A 103 -13.680 -4.882 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 103 -15.559 -4.915 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.593 -4.314 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.512 -4.352 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.534 -2.116 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.655 -1.418 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.845 -2.826 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -15.866 -3.042 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.542 -1.063 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.629 -2.666 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.198 -2.214 -3.039 1.00 0.00 H new ATOM 1622 N THR A 104 -14.921 -7.062 -5.174 1.00 0.00 N ATOM 1623 CA THR A 104 -14.628 -8.349 -5.775 1.00 0.00 C ATOM 1624 C THR A 104 -14.171 -8.167 -7.218 1.00 0.00 C ATOM 1625 O THR A 104 -13.373 -8.949 -7.737 1.00 0.00 O ATOM 1626 CB THR A 104 -15.857 -9.271 -5.728 1.00 0.00 C ATOM 1627 OG1 THR A 104 -16.994 -8.603 -6.296 1.00 0.00 O ATOM 1628 CG2 THR A 104 -16.168 -9.677 -4.295 1.00 0.00 C ATOM 0 H THR A 104 -15.746 -6.598 -5.554 1.00 0.00 H new ATOM 0 HA THR A 104 -13.826 -8.814 -5.202 1.00 0.00 H new ATOM 0 HB THR A 104 -15.636 -10.168 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 104 -17.772 -9.198 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 104 -17.041 -10.329 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 104 -15.314 -10.206 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 104 -16.372 -8.786 -3.701 1.00 0.00 H new ATOM 1636 N ASP A 105 -14.675 -7.116 -7.852 1.00 0.00 N ATOM 1637 CA ASP A 105 -14.318 -6.795 -9.226 1.00 0.00 C ATOM 1638 C ASP A 105 -13.765 -5.379 -9.314 1.00 0.00 C ATOM 1639 O ASP A 105 -12.566 -5.181 -9.489 1.00 0.00 O ATOM 1640 CB ASP A 105 -15.536 -6.939 -10.145 1.00 0.00 C ATOM 1641 CG ASP A 105 -15.243 -6.527 -11.576 1.00 0.00 C ATOM 1642 OD1 ASP A 105 -14.570 -7.293 -12.294 1.00 0.00 O ATOM 1643 OD2 ASP A 105 -15.688 -5.435 -11.990 1.00 0.00 O ATOM 0 H ASP A 105 -15.339 -6.466 -7.431 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.548 -7.495 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -15.875 -7.975 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -16.353 -6.331 -9.756 1.00 0.00 H new ATOM 1648 N THR A 106 -14.649 -4.405 -9.158 1.00 0.00 N ATOM 1649 CA THR A 106 -14.285 -2.999 -9.254 1.00 0.00 C ATOM 1650 C THR A 106 -15.029 -2.192 -8.194 1.00 0.00 C ATOM 1651 O THR A 106 -15.887 -2.730 -7.495 1.00 0.00 O ATOM 1652 CB THR A 106 -14.618 -2.445 -10.655 1.00 0.00 C ATOM 1653 OG1 THR A 106 -15.871 -2.981 -11.101 1.00 0.00 O ATOM 1654 CG2 THR A 106 -13.525 -2.788 -11.657 1.00 0.00 C ATOM 0 H THR A 106 -15.637 -4.566 -8.962 1.00 0.00 H new ATOM 0 HA THR A 106 -13.211 -2.911 -9.088 1.00 0.00 H new ATOM 0 HB THR A 106 -14.686 -1.359 -10.585 1.00 0.00 H new ATOM 0 HG1 THR A 106 -15.708 -3.740 -11.699 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.788 -2.384 -12.635 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.581 -2.355 -11.328 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.423 -3.871 -11.727 1.00 0.00 H new ATOM 1662 N ARG A 107 -14.709 -0.910 -8.071 1.00 0.00 N ATOM 1663 CA ARG A 107 -15.354 -0.067 -7.069 1.00 0.00 C ATOM 1664 C ARG A 107 -16.345 0.894 -7.717 1.00 0.00 C ATOM 1665 O ARG A 107 -16.544 2.016 -7.242 1.00 0.00 O ATOM 1666 CB ARG A 107 -14.320 0.717 -6.255 1.00 0.00 C ATOM 1667 CG ARG A 107 -13.389 1.576 -7.095 1.00 0.00 C ATOM 1668 CD ARG A 107 -12.757 2.678 -6.264 1.00 0.00 C ATOM 1669 NE ARG A 107 -13.751 3.655 -5.818 1.00 0.00 N ATOM 1670 CZ ARG A 107 -13.480 4.701 -5.039 1.00 0.00 C ATOM 1671 NH1 ARG A 107 -12.250 4.907 -4.587 1.00 0.00 N ATOM 1672 NH2 ARG A 107 -14.447 5.544 -4.711 1.00 0.00 N ATOM 0 H ARG A 107 -14.014 -0.434 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.899 -0.725 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.843 1.356 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.723 0.014 -5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.608 0.952 -7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.944 2.015 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.261 2.242 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.989 3.182 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.715 3.526 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.501 4.261 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.054 5.711 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.395 5.391 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.244 6.346 -4.115 1.00 0.00 H new ATOM 1686 N THR A 108 -16.958 0.453 -8.803 1.00 0.00 N ATOM 1687 CA THR A 108 -17.954 1.247 -9.497 1.00 0.00 C ATOM 1688 C THR A 108 -19.201 0.416 -9.777 1.00 0.00 C ATOM 1689 O THR A 108 -20.202 0.572 -9.045 1.00 0.00 O ATOM 1690 CB THR A 108 -17.409 1.829 -10.801 1.00 0.00 C ATOM 1691 OG1 THR A 108 -16.953 0.782 -11.669 1.00 0.00 O ATOM 1692 CG2 THR A 108 -16.272 2.805 -10.537 1.00 0.00 C ATOM 1693 OXT THR A 108 -19.167 -0.425 -10.704 1.00 0.00 O ATOM 0 H THR A 108 -16.780 -0.459 -9.225 1.00 0.00 H new ATOM 0 HA THR A 108 -18.217 2.079 -8.844 1.00 0.00 H new ATOM 0 HB THR A 108 -18.223 2.368 -11.285 1.00 0.00 H new ATOM 0 HG1 THR A 108 -17.552 0.010 -11.593 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.906 3.202 -11.484 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.633 3.625 -9.916 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.462 2.289 -10.022 1.00 0.00 H new TER 1701 THR A 108