USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= -1.99! X(o=-1.9!,f=-1.8) USER MOD Set 1.2: A 84 TYR OH : rot 15:sc= 0.125 USER MOD Set 2.1: A 66 THR OG1 : rot -99:sc= 1.3 USER MOD Set 2.2: A 121 TYR OH : rot 150:sc= 1.16 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 150:sc= -0.442 (180deg=-3.29!) USER MOD Single : A 60 ASN : amide:sc= -1.91! C(o=-1.9!,f=-2.3!) USER MOD Single : A 62 ASN : amide:sc= -0.637! C(o=-0.64!,f=-5.8!) USER MOD Single : A 63 TYR OH : rot -156:sc= -2.05 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= -1.09 (180deg=-1.37) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.7! C(o=-5.6!,f=-2.7!) USER MOD Single : A 78 MET CE :methyl 166:sc= -6.28! (180deg=-6.54!) USER MOD Single : A 80 ASN : amide:sc= 0.394 X(o=0.39,f=-0.026) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -124:sc= -1.91 (180deg=-3.39!) USER MOD Single : A 93 SER OG : rot 168:sc= 1.02 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 97 ASN : amide:sc= -6.13! C(o=-6.1!,f=-11!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.902 F(o=-2.7!,f=-0.9) USER MOD Single : A 108 SER OG : rot 180:sc= 0.603 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 133:sc= -0.475 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= -0.918! (180deg=-1.83!) USER MOD Single : A 125 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -162:sc= -0.0214 (180deg=-0.499) USER MOD Single : A 135 NAG O3 : rot 17:sc= 0.615 USER MOD Single : A 135 NAG O4 : rot -146:sc= 0.733 USER MOD Single : A 135 NAG O6 : rot 180:sc= 0.691 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 0.870 -3.192 9.525 1.00 0.00 N ATOM 2 CA GLY A 29 0.452 -3.275 8.097 1.00 0.00 C ATOM 3 C GLY A 29 -0.571 -4.393 7.929 1.00 0.00 C ATOM 4 O GLY A 29 -0.976 -5.032 8.901 1.00 0.00 O ATOM 0 HA2 GLY A 29 0.024 -2.325 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.319 -3.463 7.464 1.00 0.00 H new ATOM 10 N LEU A 30 -0.973 -4.630 6.690 1.00 0.00 N ATOM 11 CA LEU A 30 -1.936 -5.682 6.392 1.00 0.00 C ATOM 12 C LEU A 30 -1.381 -6.592 5.299 1.00 0.00 C ATOM 13 O LEU A 30 -1.606 -6.360 4.111 1.00 0.00 O ATOM 14 CB LEU A 30 -3.270 -5.087 5.930 1.00 0.00 C ATOM 15 CG LEU A 30 -3.371 -3.615 6.336 1.00 0.00 C ATOM 16 CD1 LEU A 30 -2.886 -2.734 5.183 1.00 0.00 C ATOM 17 CD2 LEU A 30 -4.831 -3.281 6.650 1.00 0.00 C ATOM 0 H LEU A 30 -0.649 -4.110 5.875 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.108 -6.257 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.360 -5.179 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.096 -5.648 6.367 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.754 -3.434 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.958 -1.685 5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.849 -2.977 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.505 -2.912 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.910 -2.233 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.443 -3.460 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.181 -3.911 7.468 1.00 0.00 H new ATOM 29 N PRO A 31 -0.653 -7.604 5.678 1.00 0.00 N ATOM 30 CA PRO A 31 -0.037 -8.561 4.714 1.00 0.00 C ATOM 31 C PRO A 31 -1.059 -9.139 3.734 1.00 0.00 C ATOM 32 O PRO A 31 -2.221 -9.352 4.087 1.00 0.00 O ATOM 33 CB PRO A 31 0.547 -9.659 5.611 1.00 0.00 C ATOM 34 CG PRO A 31 0.740 -9.026 6.948 1.00 0.00 C ATOM 35 CD PRO A 31 -0.338 -7.952 7.072 1.00 0.00 C ATOM 0 HA PRO A 31 0.710 -8.078 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.128 -10.512 5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.492 -10.029 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.647 -9.764 7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.735 -8.590 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.216 -8.326 7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.022 -7.087 7.628 1.00 0.00 H new ATOM 43 N PHE A 32 -0.619 -9.392 2.504 1.00 0.00 N ATOM 44 CA PHE A 32 -1.502 -9.952 1.486 1.00 0.00 C ATOM 45 C PHE A 32 -1.554 -11.468 1.617 1.00 0.00 C ATOM 46 O PHE A 32 -2.154 -12.154 0.788 1.00 0.00 O ATOM 47 CB PHE A 32 -1.021 -9.573 0.082 1.00 0.00 C ATOM 48 CG PHE A 32 -2.095 -9.932 -0.917 1.00 0.00 C ATOM 49 CD1 PHE A 32 -3.089 -8.998 -1.235 1.00 0.00 C ATOM 50 CD2 PHE A 32 -2.106 -11.200 -1.516 1.00 0.00 C ATOM 51 CE1 PHE A 32 -4.092 -9.329 -2.151 1.00 0.00 C ATOM 52 CE2 PHE A 32 -3.112 -11.531 -2.432 1.00 0.00 C ATOM 53 CZ PHE A 32 -4.105 -10.594 -2.750 1.00 0.00 C ATOM 0 H PHE A 32 0.336 -9.220 2.190 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.500 -9.541 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.803 -8.506 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.096 -10.099 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.081 -8.022 -0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.339 -11.920 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.858 -8.608 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.123 -12.508 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.880 -10.848 -3.457 1.00 0.00 H new ATOM 63 N GLY A 33 -0.910 -11.983 2.663 1.00 0.00 N ATOM 64 CA GLY A 33 -0.867 -13.421 2.902 1.00 0.00 C ATOM 65 C GLY A 33 0.282 -14.060 2.132 1.00 0.00 C ATOM 66 O GLY A 33 0.911 -15.009 2.606 1.00 0.00 O ATOM 0 H GLY A 33 -0.412 -11.425 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.749 -13.614 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.811 -13.874 2.599 1.00 0.00 H new ATOM 70 N LEU A 34 0.554 -13.529 0.944 1.00 0.00 N ATOM 71 CA LEU A 34 1.629 -14.045 0.107 1.00 0.00 C ATOM 72 C LEU A 34 2.058 -12.994 -0.910 1.00 0.00 C ATOM 73 O LEU A 34 1.902 -13.195 -2.113 1.00 0.00 O ATOM 74 CB LEU A 34 1.146 -15.278 -0.655 1.00 0.00 C ATOM 75 CG LEU A 34 -0.215 -14.959 -1.274 1.00 0.00 C ATOM 76 CD1 LEU A 34 -0.276 -15.484 -2.711 1.00 0.00 C ATOM 77 CD2 LEU A 34 -1.312 -15.614 -0.444 1.00 0.00 C ATOM 0 H LEU A 34 0.045 -12.743 0.541 1.00 0.00 H new ATOM 0 HA LEU A 34 2.470 -14.303 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.862 -15.549 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.066 -16.132 0.017 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.359 -13.879 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.250 -15.251 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.506 -15.011 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.128 -16.564 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.284 -15.388 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.162 -16.694 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.276 -15.229 0.575 1.00 0.00 H new ATOM 89 N MET A 35 2.594 -11.875 -0.433 1.00 0.00 N ATOM 90 CA MET A 35 3.030 -10.825 -1.339 1.00 0.00 C ATOM 91 C MET A 35 1.863 -10.346 -2.192 1.00 0.00 C ATOM 92 O MET A 35 0.780 -10.927 -2.168 1.00 0.00 O ATOM 93 CB MET A 35 4.144 -11.363 -2.246 1.00 0.00 C ATOM 94 CG MET A 35 5.485 -11.334 -1.504 1.00 0.00 C ATOM 95 SD MET A 35 5.988 -13.023 -1.113 1.00 0.00 S ATOM 96 CE MET A 35 7.382 -12.587 -0.048 1.00 0.00 C ATOM 0 H MET A 35 2.734 -11.676 0.558 1.00 0.00 H new ATOM 0 HA MET A 35 3.406 -9.986 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.912 -12.382 -2.555 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.208 -10.762 -3.153 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.243 -10.850 -2.119 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.395 -10.748 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.858 -13.496 0.319 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.106 -12.003 -0.617 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.024 -11.998 0.797 1.00 0.00 H new ATOM 106 N ARG A 36 2.096 -9.283 -2.949 1.00 0.00 N ATOM 107 CA ARG A 36 1.061 -8.733 -3.810 1.00 0.00 C ATOM 108 C ARG A 36 1.125 -9.380 -5.187 1.00 0.00 C ATOM 109 O ARG A 36 2.202 -9.746 -5.662 1.00 0.00 O ATOM 110 CB ARG A 36 1.249 -7.221 -3.930 1.00 0.00 C ATOM 111 CG ARG A 36 1.115 -6.591 -2.546 1.00 0.00 C ATOM 112 CD ARG A 36 1.625 -5.149 -2.588 1.00 0.00 C ATOM 113 NE ARG A 36 1.409 -4.498 -1.302 1.00 0.00 N ATOM 114 CZ ARG A 36 2.228 -4.718 -0.280 1.00 0.00 C ATOM 115 NH1 ARG A 36 3.244 -5.523 -0.426 1.00 0.00 N ATOM 116 NH2 ARG A 36 2.017 -4.129 0.866 1.00 0.00 N ATOM 0 H ARG A 36 2.987 -8.788 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 36 0.084 -8.941 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.228 -6.996 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.505 -6.802 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.073 -6.610 -2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.683 -7.168 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.687 -5.139 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.110 -4.597 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 36 0.618 -3.865 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.407 -5.981 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.875 -5.695 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.222 -3.499 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.647 -4.299 1.650 1.00 0.00 H new ATOM 130 N ARG A 37 -0.031 -9.515 -5.823 1.00 0.00 N ATOM 131 CA ARG A 37 -0.091 -10.115 -7.146 1.00 0.00 C ATOM 132 C ARG A 37 -1.190 -9.482 -7.969 1.00 0.00 C ATOM 133 O ARG A 37 -2.351 -9.435 -7.561 1.00 0.00 O ATOM 134 CB ARG A 37 -0.356 -11.607 -7.025 1.00 0.00 C ATOM 135 CG ARG A 37 -0.371 -12.263 -8.411 1.00 0.00 C ATOM 136 CD ARG A 37 -0.590 -13.763 -8.232 1.00 0.00 C ATOM 137 NE ARG A 37 -0.016 -14.513 -9.345 1.00 0.00 N ATOM 138 CZ ARG A 37 0.644 -15.653 -9.142 1.00 0.00 C ATOM 139 NH1 ARG A 37 0.824 -16.099 -7.926 1.00 0.00 N ATOM 140 NH2 ARG A 37 1.114 -16.326 -10.159 1.00 0.00 N ATOM 0 H ARG A 37 -0.932 -9.220 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 37 0.866 -9.948 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.412 -12.070 -6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.311 -11.774 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.163 -11.835 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.570 -12.076 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.137 -14.091 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.657 -13.972 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.122 -14.158 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.459 -15.574 -7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.329 -16.972 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.976 -15.979 -11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.619 -17.198 -10.004 1.00 0.00 H new ATOM 154 N GLU A 38 -0.813 -9.023 -9.141 1.00 0.00 N ATOM 155 CA GLU A 38 -1.756 -8.408 -10.051 1.00 0.00 C ATOM 156 C GLU A 38 -1.673 -9.104 -11.392 1.00 0.00 C ATOM 157 O GLU A 38 -0.593 -9.500 -11.835 1.00 0.00 O ATOM 158 CB GLU A 38 -1.447 -6.921 -10.199 1.00 0.00 C ATOM 159 CG GLU A 38 -1.858 -6.195 -8.916 1.00 0.00 C ATOM 160 CD GLU A 38 -0.994 -6.666 -7.753 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.048 -7.242 -8.014 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.387 -6.449 -6.620 1.00 0.00 O ATOM 0 H GLU A 38 0.145 -9.064 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.767 -8.508 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.384 -6.775 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.984 -6.508 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.751 -5.118 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.909 -6.387 -8.700 1.00 0.00 H new ATOM 169 N LEU A 39 -2.809 -9.250 -12.039 1.00 0.00 N ATOM 170 CA LEU A 39 -2.844 -9.903 -13.327 1.00 0.00 C ATOM 171 C LEU A 39 -3.793 -9.158 -14.245 1.00 0.00 C ATOM 172 O LEU A 39 -4.805 -8.626 -13.795 1.00 0.00 O ATOM 173 CB LEU A 39 -3.292 -11.362 -13.181 1.00 0.00 C ATOM 174 CG LEU A 39 -2.994 -12.122 -14.474 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.011 -13.629 -14.204 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.044 -11.782 -15.537 1.00 0.00 C ATOM 0 H LEU A 39 -3.714 -8.928 -11.696 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.841 -9.894 -13.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.773 -11.830 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.358 -11.405 -12.959 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.009 -11.829 -14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.798 -14.167 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.254 -13.874 -13.459 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.993 -13.921 -13.832 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.823 -12.328 -16.454 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.033 -12.065 -15.175 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.024 -10.711 -15.739 1.00 0.00 H new ATOM 188 N ALA A 40 -3.468 -9.106 -15.525 1.00 0.00 N ATOM 189 CA ALA A 40 -4.319 -8.401 -16.468 1.00 0.00 C ATOM 190 C ALA A 40 -4.390 -9.133 -17.800 1.00 0.00 C ATOM 191 O ALA A 40 -3.402 -9.690 -18.275 1.00 0.00 O ATOM 192 CB ALA A 40 -3.780 -6.988 -16.692 1.00 0.00 C ATOM 0 H ALA A 40 -2.636 -9.535 -15.930 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.324 -8.354 -16.048 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.421 -6.462 -17.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.767 -6.449 -15.745 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.767 -7.044 -17.091 1.00 0.00 H new ATOM 198 N CYS A 41 -5.576 -9.138 -18.389 1.00 0.00 N ATOM 199 CA CYS A 41 -5.783 -9.813 -19.658 1.00 0.00 C ATOM 200 C CYS A 41 -4.990 -9.130 -20.758 1.00 0.00 C ATOM 201 O CYS A 41 -4.970 -7.902 -20.853 1.00 0.00 O ATOM 202 CB CYS A 41 -7.270 -9.789 -20.004 1.00 0.00 C ATOM 203 SG CYS A 41 -8.194 -10.569 -18.664 1.00 0.00 S ATOM 0 H CYS A 41 -6.406 -8.683 -18.009 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.440 -10.844 -19.572 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.607 -8.762 -20.147 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.448 -10.316 -20.941 1.00 0.00 H new ATOM 208 N GLU A 42 -4.329 -9.931 -21.584 1.00 0.00 N ATOM 209 CA GLU A 42 -3.533 -9.390 -22.671 1.00 0.00 C ATOM 210 C GLU A 42 -4.305 -8.336 -23.456 1.00 0.00 C ATOM 211 O GLU A 42 -5.469 -8.525 -23.804 1.00 0.00 O ATOM 212 CB GLU A 42 -3.108 -10.514 -23.609 1.00 0.00 C ATOM 213 CG GLU A 42 -2.318 -9.928 -24.776 1.00 0.00 C ATOM 214 CD GLU A 42 -1.932 -11.034 -25.752 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.429 -12.137 -25.593 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.141 -10.764 -26.641 1.00 0.00 O ATOM 0 H GLU A 42 -4.330 -10.949 -21.521 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.653 -8.915 -22.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.499 -11.241 -23.071 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.985 -11.045 -23.979 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.915 -9.173 -25.287 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.422 -9.430 -24.406 1.00 0.00 H new ATOM 223 N GLY A 43 -3.630 -7.234 -23.752 1.00 0.00 N ATOM 224 CA GLY A 43 -4.229 -6.155 -24.522 1.00 0.00 C ATOM 225 C GLY A 43 -4.785 -5.038 -23.648 1.00 0.00 C ATOM 226 O GLY A 43 -5.054 -3.946 -24.148 1.00 0.00 O ATOM 0 H GLY A 43 -2.665 -7.064 -23.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.482 -5.741 -25.199 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.031 -6.559 -25.140 1.00 0.00 H new ATOM 230 N TYR A 44 -4.966 -5.286 -22.350 1.00 0.00 N ATOM 231 CA TYR A 44 -5.496 -4.256 -21.466 1.00 0.00 C ATOM 232 C TYR A 44 -4.429 -3.784 -20.484 1.00 0.00 C ATOM 233 O TYR A 44 -3.542 -4.551 -20.101 1.00 0.00 O ATOM 234 CB TYR A 44 -6.691 -4.820 -20.702 1.00 0.00 C ATOM 235 CG TYR A 44 -7.754 -5.229 -21.690 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.516 -6.292 -22.574 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.972 -4.541 -21.733 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.496 -6.660 -23.498 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.951 -4.913 -22.657 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.714 -5.969 -23.540 1.00 0.00 C ATOM 241 OH TYR A 44 -10.678 -6.327 -24.454 1.00 0.00 O ATOM 0 H TYR A 44 -4.757 -6.176 -21.897 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.809 -3.401 -22.066 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.384 -5.677 -20.102 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.084 -4.073 -20.013 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.577 -6.824 -22.540 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.155 -3.723 -21.052 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.315 -7.477 -24.180 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.892 -4.384 -22.689 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.461 -5.747 -24.348 1.00 0.00 H new ATOM 251 N PRO A 45 -4.504 -2.546 -20.076 1.00 0.00 N ATOM 252 CA PRO A 45 -3.527 -1.954 -19.113 1.00 0.00 C ATOM 253 C PRO A 45 -3.638 -2.545 -17.711 1.00 0.00 C ATOM 254 O PRO A 45 -4.711 -2.970 -17.284 1.00 0.00 O ATOM 255 CB PRO A 45 -3.863 -0.460 -19.112 1.00 0.00 C ATOM 256 CG PRO A 45 -5.268 -0.354 -19.607 1.00 0.00 C ATOM 257 CD PRO A 45 -5.531 -1.575 -20.488 1.00 0.00 C ATOM 0 HA PRO A 45 -2.500 -2.162 -19.412 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.769 -0.040 -18.111 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.180 0.094 -19.756 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.969 -0.324 -18.772 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.408 0.567 -20.174 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.536 -1.968 -20.334 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.444 -1.329 -21.546 1.00 0.00 H new ATOM 265 N ILE A 46 -2.514 -2.548 -16.995 1.00 0.00 N ATOM 266 CA ILE A 46 -2.474 -3.065 -15.630 1.00 0.00 C ATOM 267 C ILE A 46 -2.018 -1.955 -14.685 1.00 0.00 C ATOM 268 O ILE A 46 -1.134 -1.170 -15.028 1.00 0.00 O ATOM 269 CB ILE A 46 -1.495 -4.238 -15.540 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.606 -4.895 -14.162 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.071 -3.720 -15.728 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.764 -6.175 -14.143 1.00 0.00 C ATOM 0 H ILE A 46 -1.620 -2.198 -17.339 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.469 -3.409 -15.349 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.733 -4.967 -16.314 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.261 -4.208 -13.390 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.647 -5.128 -13.940 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.630 -4.552 -15.665 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.017 -3.245 -16.705 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.158 -2.993 -14.949 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.840 -6.646 -13.163 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.130 -6.862 -14.906 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.278 -5.928 -14.347 1.00 0.00 H new ATOM 284 N GLU A 47 -2.619 -1.880 -13.506 1.00 0.00 N ATOM 285 CA GLU A 47 -2.249 -0.839 -12.550 1.00 0.00 C ATOM 286 C GLU A 47 -1.763 -1.448 -11.240 1.00 0.00 C ATOM 287 O GLU A 47 -2.438 -2.288 -10.644 1.00 0.00 O ATOM 288 CB GLU A 47 -3.446 0.081 -12.287 1.00 0.00 C ATOM 289 CG GLU A 47 -3.000 1.264 -11.422 1.00 0.00 C ATOM 290 CD GLU A 47 -4.196 2.156 -11.103 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.313 1.683 -11.227 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.976 3.301 -10.736 1.00 0.00 O ATOM 0 H GLU A 47 -3.353 -2.514 -13.189 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.434 -0.256 -12.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.856 0.441 -13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.240 -0.472 -11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.550 0.901 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.236 1.839 -11.944 1.00 0.00 H new ATOM 299 N LEU A 48 -0.592 -1.008 -10.795 1.00 0.00 N ATOM 300 CA LEU A 48 -0.021 -1.498 -9.548 1.00 0.00 C ATOM 301 C LEU A 48 0.064 -0.343 -8.570 1.00 0.00 C ATOM 302 O LEU A 48 0.362 0.783 -8.970 1.00 0.00 O ATOM 303 CB LEU A 48 1.369 -2.073 -9.801 1.00 0.00 C ATOM 304 CG LEU A 48 1.317 -2.979 -11.029 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.713 -3.523 -11.332 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.364 -4.146 -10.770 1.00 0.00 C ATOM 0 H LEU A 48 -0.021 -0.315 -11.278 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.650 -2.287 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.087 -1.268 -9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.707 -2.637 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 48 0.961 -2.401 -11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.669 -4.169 -12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.393 -2.693 -11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.074 -4.096 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.330 -4.790 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.716 -4.720 -9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.635 -3.761 -10.563 1.00 0.00 H new ATOM 318 N ARG A 49 -0.210 -0.592 -7.300 1.00 0.00 N ATOM 319 CA ARG A 49 -0.164 0.490 -6.328 1.00 0.00 C ATOM 320 C ARG A 49 0.206 -0.011 -4.934 1.00 0.00 C ATOM 321 O ARG A 49 -0.356 -0.992 -4.444 1.00 0.00 O ATOM 322 CB ARG A 49 -1.531 1.164 -6.280 1.00 0.00 C ATOM 323 CG ARG A 49 -1.862 1.705 -7.671 1.00 0.00 C ATOM 324 CD ARG A 49 -3.122 2.560 -7.608 1.00 0.00 C ATOM 325 NE ARG A 49 -2.785 3.911 -7.184 1.00 0.00 N ATOM 326 CZ ARG A 49 -3.513 4.957 -7.562 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.542 4.792 -8.349 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.187 6.153 -7.156 1.00 0.00 N ATOM 0 H ARG A 49 -0.460 -1.507 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 49 0.606 1.197 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.292 0.452 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.527 1.974 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.028 2.297 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.007 0.879 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.603 2.586 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.836 2.119 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.973 4.058 -6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.790 3.858 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.098 5.597 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.376 6.283 -6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.743 6.958 -7.444 1.00 0.00 H new ATOM 342 N CYS A 50 1.143 0.685 -4.298 1.00 0.00 N ATOM 343 CA CYS A 50 1.574 0.324 -2.957 1.00 0.00 C ATOM 344 C CYS A 50 0.948 1.274 -1.938 1.00 0.00 C ATOM 345 O CYS A 50 0.796 2.464 -2.206 1.00 0.00 O ATOM 346 CB CYS A 50 3.097 0.393 -2.862 1.00 0.00 C ATOM 347 SG CYS A 50 3.793 -1.178 -3.427 1.00 0.00 S ATOM 0 H CYS A 50 1.616 1.499 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 50 1.250 -0.695 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.476 1.214 -3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.402 0.592 -1.835 1.00 0.00 H new ATOM 352 N PRO A 51 0.581 0.774 -0.791 1.00 0.00 N ATOM 353 CA PRO A 51 -0.050 1.599 0.280 1.00 0.00 C ATOM 354 C PRO A 51 0.936 2.559 0.952 1.00 0.00 C ATOM 355 O PRO A 51 2.147 2.340 0.931 1.00 0.00 O ATOM 356 CB PRO A 51 -0.576 0.571 1.282 1.00 0.00 C ATOM 357 CG PRO A 51 0.228 -0.673 1.055 1.00 0.00 C ATOM 358 CD PRO A 51 0.728 -0.634 -0.391 1.00 0.00 C ATOM 0 HA PRO A 51 -0.829 2.244 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.461 0.929 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.638 0.383 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.066 -0.721 1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.381 -1.561 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.765 -0.961 -0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.142 -1.293 -1.032 1.00 0.00 H new ATOM 366 N GLY A 52 0.401 3.605 1.579 1.00 0.00 N ATOM 367 CA GLY A 52 1.227 4.578 2.288 1.00 0.00 C ATOM 368 C GLY A 52 2.333 5.159 1.405 1.00 0.00 C ATOM 369 O GLY A 52 2.111 5.488 0.238 1.00 0.00 O ATOM 0 H GLY A 52 -0.600 3.800 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.596 5.388 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.675 4.103 3.161 1.00 0.00 H new ATOM 373 N SER A 53 3.522 5.274 1.984 1.00 0.00 N ATOM 374 CA SER A 53 4.681 5.808 1.272 1.00 0.00 C ATOM 375 C SER A 53 5.612 4.692 0.825 1.00 0.00 C ATOM 376 O SER A 53 6.808 4.914 0.616 1.00 0.00 O ATOM 377 CB SER A 53 5.449 6.772 2.165 1.00 0.00 C ATOM 378 OG SER A 53 5.818 6.107 3.369 1.00 0.00 O ATOM 0 H SER A 53 3.711 5.004 2.949 1.00 0.00 H new ATOM 0 HA SER A 53 4.315 6.335 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.338 7.134 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.835 7.644 2.391 1.00 0.00 H new ATOM 0 HG SER A 53 6.314 6.725 3.945 1.00 0.00 H new ATOM 384 N ASP A 54 5.066 3.496 0.681 1.00 0.00 N ATOM 385 CA ASP A 54 5.864 2.362 0.250 1.00 0.00 C ATOM 386 C ASP A 54 6.034 2.378 -1.269 1.00 0.00 C ATOM 387 O ASP A 54 5.311 3.085 -1.970 1.00 0.00 O ATOM 388 CB ASP A 54 5.208 1.058 0.695 1.00 0.00 C ATOM 389 CG ASP A 54 5.229 0.965 2.215 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.838 1.824 2.831 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.642 0.034 2.741 1.00 0.00 O ATOM 0 H ASP A 54 4.083 3.287 0.854 1.00 0.00 H new ATOM 0 HA ASP A 54 6.850 2.434 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.181 1.014 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.735 0.208 0.262 1.00 0.00 H new ATOM 396 N VAL A 55 6.972 1.580 -1.782 1.00 0.00 N ATOM 397 CA VAL A 55 7.183 1.518 -3.225 1.00 0.00 C ATOM 398 C VAL A 55 7.157 0.075 -3.707 1.00 0.00 C ATOM 399 O VAL A 55 7.548 -0.844 -2.985 1.00 0.00 O ATOM 400 CB VAL A 55 8.511 2.169 -3.616 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.563 3.586 -3.044 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.677 1.346 -3.059 1.00 0.00 C ATOM 0 H VAL A 55 7.585 0.980 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 55 6.373 2.069 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 55 8.591 2.208 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.508 4.055 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.736 4.171 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.482 3.543 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.620 1.814 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.604 1.301 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.637 0.336 -3.467 1.00 0.00 H new ATOM 412 N ILE A 56 6.667 -0.116 -4.922 1.00 0.00 N ATOM 413 CA ILE A 56 6.557 -1.447 -5.496 1.00 0.00 C ATOM 414 C ILE A 56 7.923 -2.053 -5.790 1.00 0.00 C ATOM 415 O ILE A 56 8.810 -1.384 -6.321 1.00 0.00 O ATOM 416 CB ILE A 56 5.765 -1.386 -6.799 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.377 -0.791 -6.550 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.621 -2.795 -7.368 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.685 -0.549 -7.894 1.00 0.00 C ATOM 0 H ILE A 56 6.339 0.635 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 56 6.048 -2.073 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 56 6.297 -0.753 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.782 -1.469 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.463 0.145 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.056 -2.755 -8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.609 -3.212 -7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.095 -3.425 -6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.696 -0.125 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.279 0.145 -8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.587 -1.494 -8.428 1.00 0.00 H new ATOM 431 N MET A 57 8.064 -3.337 -5.486 1.00 0.00 N ATOM 432 CA MET A 57 9.303 -4.048 -5.765 1.00 0.00 C ATOM 433 C MET A 57 8.975 -5.371 -6.447 1.00 0.00 C ATOM 434 O MET A 57 8.578 -6.343 -5.804 1.00 0.00 O ATOM 435 CB MET A 57 10.111 -4.290 -4.487 1.00 0.00 C ATOM 436 CG MET A 57 9.180 -4.617 -3.322 1.00 0.00 C ATOM 437 SD MET A 57 10.095 -5.573 -2.091 1.00 0.00 S ATOM 438 CE MET A 57 11.538 -4.487 -2.004 1.00 0.00 C ATOM 0 H MET A 57 7.338 -3.905 -5.048 1.00 0.00 H new ATOM 0 HA MET A 57 9.917 -3.435 -6.425 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.812 -5.110 -4.642 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.703 -3.406 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.796 -3.699 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.319 -5.184 -3.676 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.972 -4.538 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.278 -4.806 -2.738 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.235 -3.462 -2.216 1.00 0.00 H new ATOM 448 N VAL A 58 9.126 -5.366 -7.763 1.00 0.00 N ATOM 449 CA VAL A 58 8.836 -6.535 -8.584 1.00 0.00 C ATOM 450 C VAL A 58 9.792 -7.691 -8.281 1.00 0.00 C ATOM 451 O VAL A 58 11.013 -7.536 -8.357 1.00 0.00 O ATOM 452 CB VAL A 58 8.938 -6.143 -10.058 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.494 -7.312 -10.936 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.033 -4.935 -10.330 1.00 0.00 C ATOM 0 H VAL A 58 9.451 -4.556 -8.291 1.00 0.00 H new ATOM 0 HA VAL A 58 7.827 -6.878 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 58 9.972 -5.888 -10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.569 -7.028 -11.986 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.135 -8.173 -10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.461 -7.571 -10.703 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.106 -4.655 -11.381 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.001 -5.193 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.349 -4.097 -9.709 1.00 0.00 H new ATOM 464 N GLU A 59 9.222 -8.852 -7.952 1.00 0.00 N ATOM 465 CA GLU A 59 10.018 -10.039 -7.658 1.00 0.00 C ATOM 466 C GLU A 59 9.985 -10.984 -8.849 1.00 0.00 C ATOM 467 O GLU A 59 11.021 -11.476 -9.295 1.00 0.00 O ATOM 468 CB GLU A 59 9.463 -10.763 -6.425 1.00 0.00 C ATOM 469 CG GLU A 59 9.648 -9.882 -5.192 1.00 0.00 C ATOM 470 CD GLU A 59 9.154 -10.613 -3.948 1.00 0.00 C ATOM 471 OE1 GLU A 59 8.610 -11.696 -4.096 1.00 0.00 O ATOM 472 OE2 GLU A 59 9.322 -10.075 -2.864 1.00 0.00 O ATOM 0 H GLU A 59 8.214 -8.993 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 59 11.044 -9.730 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.406 -10.990 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.977 -11.714 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.700 -9.621 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.100 -8.948 -5.317 1.00 0.00 H new ATOM 479 N ASN A 60 8.782 -11.244 -9.353 1.00 0.00 N ATOM 480 CA ASN A 60 8.624 -12.150 -10.485 1.00 0.00 C ATOM 481 C ASN A 60 7.383 -11.783 -11.290 1.00 0.00 C ATOM 482 O ASN A 60 6.405 -11.269 -10.750 1.00 0.00 O ATOM 483 CB ASN A 60 8.489 -13.593 -9.980 1.00 0.00 C ATOM 484 CG ASN A 60 9.484 -13.848 -8.852 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.662 -14.104 -9.109 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.077 -13.792 -7.611 1.00 0.00 N ATOM 0 H ASN A 60 7.912 -10.845 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 60 9.503 -12.063 -11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.473 -13.769 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.668 -14.291 -10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.735 -13.960 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.101 -13.580 -7.403 1.00 0.00 H new ATOM 493 N ALA A 61 7.429 -12.059 -12.584 1.00 0.00 N ATOM 494 CA ALA A 61 6.304 -11.761 -13.457 1.00 0.00 C ATOM 495 C ALA A 61 6.496 -12.446 -14.800 1.00 0.00 C ATOM 496 O ALA A 61 7.619 -12.790 -15.169 1.00 0.00 O ATOM 497 CB ALA A 61 6.174 -10.248 -13.654 1.00 0.00 C ATOM 0 H ALA A 61 8.229 -12.487 -13.051 1.00 0.00 H new ATOM 0 HA ALA A 61 5.390 -12.134 -12.995 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.329 -10.038 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.013 -9.768 -12.689 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.088 -9.860 -14.105 1.00 0.00 H new ATOM 503 N ASN A 62 5.404 -12.655 -15.524 1.00 0.00 N ATOM 504 CA ASN A 62 5.485 -13.317 -16.822 1.00 0.00 C ATOM 505 C ASN A 62 4.383 -12.855 -17.762 1.00 0.00 C ATOM 506 O ASN A 62 3.245 -12.637 -17.344 1.00 0.00 O ATOM 507 CB ASN A 62 5.373 -14.826 -16.633 1.00 0.00 C ATOM 508 CG ASN A 62 5.490 -15.527 -17.979 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.594 -15.772 -18.460 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.405 -15.857 -18.622 1.00 0.00 N ATOM 0 H ASN A 62 4.463 -12.381 -15.241 1.00 0.00 H new ATOM 0 HA ASN A 62 6.445 -13.056 -17.266 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.157 -15.176 -15.961 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.419 -15.073 -16.166 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.470 -16.321 -19.528 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.491 -15.652 -18.219 1.00 0.00 H new ATOM 517 N TYR A 63 4.724 -12.738 -19.047 1.00 0.00 N ATOM 518 CA TYR A 63 3.757 -12.336 -20.058 1.00 0.00 C ATOM 519 C TYR A 63 3.487 -13.511 -20.998 1.00 0.00 C ATOM 520 O TYR A 63 4.383 -13.961 -21.714 1.00 0.00 O ATOM 521 CB TYR A 63 4.298 -11.155 -20.865 1.00 0.00 C ATOM 522 CG TYR A 63 3.321 -10.814 -21.954 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.070 -10.275 -21.636 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.668 -11.040 -23.287 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.165 -9.965 -22.656 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.766 -10.730 -24.308 1.00 0.00 C ATOM 527 CZ TYR A 63 1.513 -10.193 -23.992 1.00 0.00 C ATOM 528 OH TYR A 63 0.621 -9.893 -25.000 1.00 0.00 O ATOM 0 H TYR A 63 5.662 -12.917 -19.407 1.00 0.00 H new ATOM 0 HA TYR A 63 2.832 -12.036 -19.565 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.451 -10.294 -20.214 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.268 -11.406 -21.295 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.803 -10.099 -20.604 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.635 -11.455 -23.530 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.198 -9.550 -22.413 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.035 -10.905 -25.339 1.00 0.00 H new ATOM 0 HH TYR A 63 0.825 -10.436 -25.790 1.00 0.00 H new ATOM 538 N GLY A 64 2.259 -14.022 -20.983 1.00 0.00 N ATOM 539 CA GLY A 64 1.923 -15.163 -21.835 1.00 0.00 C ATOM 540 C GLY A 64 0.634 -15.835 -21.372 1.00 0.00 C ATOM 541 O GLY A 64 -0.360 -15.170 -21.083 1.00 0.00 O ATOM 0 H GLY A 64 1.494 -13.675 -20.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.812 -14.830 -22.867 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.739 -15.885 -21.819 1.00 0.00 H new ATOM 545 N ARG A 65 0.673 -17.165 -21.308 1.00 0.00 N ATOM 546 CA ARG A 65 -0.482 -17.954 -20.880 1.00 0.00 C ATOM 547 C ARG A 65 -0.041 -19.312 -20.352 1.00 0.00 C ATOM 548 O ARG A 65 0.528 -20.129 -21.075 1.00 0.00 O ATOM 549 CB ARG A 65 -1.498 -18.143 -22.021 1.00 0.00 C ATOM 550 CG ARG A 65 -2.443 -19.291 -21.662 1.00 0.00 C ATOM 551 CD ARG A 65 -3.706 -19.237 -22.526 1.00 0.00 C ATOM 552 NE ARG A 65 -4.461 -18.018 -22.242 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.775 -18.040 -22.005 1.00 0.00 C ATOM 554 NH1 ARG A 65 -6.419 -19.172 -21.938 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.421 -16.918 -21.829 1.00 0.00 N ATOM 0 H ARG A 65 1.494 -17.720 -21.548 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.971 -17.400 -20.079 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.064 -17.225 -22.177 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.979 -18.360 -22.955 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.937 -20.245 -21.807 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.714 -19.231 -20.608 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.435 -19.268 -23.581 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.327 -20.112 -22.331 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.970 -17.124 -22.224 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.919 -20.052 -22.067 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.423 -19.178 -21.756 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.922 -16.030 -21.873 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.425 -16.930 -21.648 1.00 0.00 H new ATOM 569 N THR A 66 -0.327 -19.542 -19.079 1.00 0.00 N ATOM 570 CA THR A 66 0.019 -20.802 -18.431 1.00 0.00 C ATOM 571 C THR A 66 -1.230 -21.388 -17.797 1.00 0.00 C ATOM 572 O THR A 66 -1.179 -22.393 -17.088 1.00 0.00 O ATOM 573 CB THR A 66 1.089 -20.567 -17.358 1.00 0.00 C ATOM 574 OG1 THR A 66 0.486 -19.966 -16.222 1.00 0.00 O ATOM 575 CG2 THR A 66 2.174 -19.638 -17.912 1.00 0.00 C ATOM 0 H THR A 66 -0.799 -18.872 -18.472 1.00 0.00 H new ATOM 0 HA THR A 66 0.417 -21.496 -19.171 1.00 0.00 H new ATOM 0 HB THR A 66 1.539 -21.519 -17.075 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.639 -18.998 -16.244 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.934 -19.471 -17.149 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.633 -20.097 -18.788 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.727 -18.684 -18.194 1.00 0.00 H new ATOM 583 N ASP A 67 -2.350 -20.736 -18.067 1.00 0.00 N ATOM 584 CA ASP A 67 -3.634 -21.159 -17.540 1.00 0.00 C ATOM 585 C ASP A 67 -4.721 -20.872 -18.574 1.00 0.00 C ATOM 586 O ASP A 67 -4.599 -19.939 -19.366 1.00 0.00 O ATOM 587 CB ASP A 67 -3.925 -20.401 -16.244 1.00 0.00 C ATOM 588 CG ASP A 67 -5.137 -21.002 -15.534 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.931 -21.643 -16.202 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.250 -20.817 -14.331 1.00 0.00 O ATOM 0 H ASP A 67 -2.393 -19.903 -18.655 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.615 -22.228 -17.329 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.055 -20.442 -15.589 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.109 -19.350 -16.464 1.00 0.00 H new ATOM 595 N ASP A 68 -5.787 -21.659 -18.553 1.00 0.00 N ATOM 596 CA ASP A 68 -6.887 -21.454 -19.491 1.00 0.00 C ATOM 597 C ASP A 68 -8.114 -20.952 -18.749 1.00 0.00 C ATOM 598 O ASP A 68 -9.186 -20.798 -19.331 1.00 0.00 O ATOM 599 CB ASP A 68 -7.230 -22.752 -20.232 1.00 0.00 C ATOM 600 CG ASP A 68 -7.753 -23.803 -19.259 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.010 -23.452 -18.118 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.892 -24.943 -19.672 1.00 0.00 O ATOM 0 H ASP A 68 -5.916 -22.437 -17.906 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.572 -20.711 -20.224 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.979 -22.553 -20.998 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.345 -23.130 -20.743 1.00 0.00 H new ATOM 607 N LYS A 69 -7.955 -20.723 -17.454 1.00 0.00 N ATOM 608 CA LYS A 69 -9.067 -20.265 -16.639 1.00 0.00 C ATOM 609 C LYS A 69 -8.980 -18.774 -16.342 1.00 0.00 C ATOM 610 O LYS A 69 -9.826 -18.234 -15.629 1.00 0.00 O ATOM 611 CB LYS A 69 -9.111 -21.041 -15.323 1.00 0.00 C ATOM 612 CG LYS A 69 -9.302 -22.523 -15.629 1.00 0.00 C ATOM 613 CD LYS A 69 -9.713 -23.259 -14.354 1.00 0.00 C ATOM 614 CE LYS A 69 -9.924 -24.740 -14.670 1.00 0.00 C ATOM 615 NZ LYS A 69 -9.362 -25.044 -16.015 1.00 0.00 N ATOM 0 H LYS A 69 -7.076 -20.845 -16.950 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.979 -20.444 -17.208 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.188 -20.888 -14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.926 -20.677 -14.698 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.065 -22.651 -16.397 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.378 -22.946 -16.024 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.944 -23.144 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.629 -22.827 -13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.440 -25.357 -13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.987 -24.981 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.444 -26.064 -16.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.889 -24.515 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.360 -24.766 -16.044 1.00 0.00 H new ATOM 629 N ILE A 70 -7.963 -18.106 -16.874 1.00 0.00 N ATOM 630 CA ILE A 70 -7.796 -16.683 -16.633 1.00 0.00 C ATOM 631 C ILE A 70 -8.054 -15.903 -17.906 1.00 0.00 C ATOM 632 O ILE A 70 -7.576 -16.270 -18.978 1.00 0.00 O ATOM 633 CB ILE A 70 -6.364 -16.426 -16.173 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.054 -17.355 -15.000 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.197 -14.964 -15.747 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.092 -17.147 -13.895 1.00 0.00 C ATOM 0 H ILE A 70 -7.249 -18.525 -17.470 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.504 -16.362 -15.869 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.673 -16.622 -16.993 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.064 -18.393 -15.332 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.054 -17.153 -14.617 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.171 -14.795 -15.421 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.422 -14.311 -16.590 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.879 -14.744 -14.926 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.871 -17.810 -13.058 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.060 -16.112 -13.556 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.086 -17.371 -14.282 1.00 0.00 H new ATOM 648 N CYS A 71 -8.807 -14.825 -17.786 1.00 0.00 N ATOM 649 CA CYS A 71 -9.101 -14.005 -18.948 1.00 0.00 C ATOM 650 C CYS A 71 -9.803 -14.842 -20.009 1.00 0.00 C ATOM 651 O CYS A 71 -9.265 -15.088 -21.089 1.00 0.00 O ATOM 652 CB CYS A 71 -7.793 -13.439 -19.490 1.00 0.00 C ATOM 653 SG CYS A 71 -7.142 -12.249 -18.294 1.00 0.00 S ATOM 0 H CYS A 71 -9.220 -14.500 -16.912 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.763 -13.185 -18.670 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.074 -14.241 -19.656 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -7.960 -12.956 -20.453 1.00 0.00 H new ATOM 658 N ASP A 72 -11.003 -15.289 -19.671 1.00 0.00 N ATOM 659 CA ASP A 72 -11.799 -16.121 -20.559 1.00 0.00 C ATOM 660 C ASP A 72 -11.883 -15.551 -21.979 1.00 0.00 C ATOM 661 O ASP A 72 -12.688 -14.662 -22.261 1.00 0.00 O ATOM 662 CB ASP A 72 -13.204 -16.267 -19.963 1.00 0.00 C ATOM 663 CG ASP A 72 -13.844 -14.894 -19.781 1.00 0.00 C ATOM 664 OD1 ASP A 72 -14.300 -14.336 -20.767 1.00 0.00 O ATOM 665 OD2 ASP A 72 -13.871 -14.419 -18.654 1.00 0.00 O ATOM 0 H ASP A 72 -11.451 -15.086 -18.777 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.314 -17.093 -20.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.823 -16.881 -20.618 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.148 -16.781 -19.003 1.00 0.00 H new ATOM 670 N ALA A 73 -11.061 -16.105 -22.871 1.00 0.00 N ATOM 671 CA ALA A 73 -11.053 -15.698 -24.276 1.00 0.00 C ATOM 672 C ALA A 73 -11.605 -16.836 -25.134 1.00 0.00 C ATOM 673 O ALA A 73 -12.187 -17.783 -24.607 1.00 0.00 O ATOM 674 CB ALA A 73 -9.629 -15.365 -24.725 1.00 0.00 C ATOM 0 H ALA A 73 -10.390 -16.839 -22.644 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.675 -14.810 -24.392 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.639 -15.064 -25.773 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.237 -14.550 -24.117 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.995 -16.244 -24.606 1.00 0.00 H new ATOM 680 N ASP A 74 -11.425 -16.748 -26.451 1.00 0.00 N ATOM 681 CA ASP A 74 -11.928 -17.802 -27.336 1.00 0.00 C ATOM 682 C ASP A 74 -11.219 -19.124 -27.047 1.00 0.00 C ATOM 683 O ASP A 74 -10.039 -19.144 -26.695 1.00 0.00 O ATOM 684 CB ASP A 74 -11.752 -17.423 -28.813 1.00 0.00 C ATOM 685 CG ASP A 74 -10.459 -16.648 -29.027 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.905 -16.171 -28.054 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.044 -16.541 -30.170 1.00 0.00 O ATOM 0 H ASP A 74 -10.947 -15.979 -26.922 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.994 -17.919 -27.141 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.745 -18.325 -29.425 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.599 -16.821 -29.141 1.00 0.00 H new ATOM 692 N PRO A 75 -11.921 -20.224 -27.164 1.00 0.00 N ATOM 693 CA PRO A 75 -11.351 -21.567 -26.885 1.00 0.00 C ATOM 694 C PRO A 75 -10.046 -21.824 -27.637 1.00 0.00 C ATOM 695 O PRO A 75 -9.106 -22.369 -27.069 1.00 0.00 O ATOM 696 CB PRO A 75 -12.433 -22.564 -27.313 1.00 0.00 C ATOM 697 CG PRO A 75 -13.557 -21.774 -27.900 1.00 0.00 C ATOM 698 CD PRO A 75 -13.323 -20.299 -27.576 1.00 0.00 C ATOM 0 HA PRO A 75 -11.092 -21.661 -25.830 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.038 -23.271 -28.043 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.778 -23.147 -26.459 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.604 -21.924 -28.979 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.511 -22.107 -27.490 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.514 -19.668 -28.444 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.987 -19.958 -26.782 1.00 0.00 H new ATOM 706 N PHE A 76 -9.991 -21.424 -28.905 1.00 0.00 N ATOM 707 CA PHE A 76 -8.785 -21.634 -29.702 1.00 0.00 C ATOM 708 C PHE A 76 -7.609 -20.873 -29.119 1.00 0.00 C ATOM 709 O PHE A 76 -6.478 -21.354 -29.151 1.00 0.00 O ATOM 710 CB PHE A 76 -9.012 -21.174 -31.140 1.00 0.00 C ATOM 711 CG PHE A 76 -10.030 -22.067 -31.797 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.641 -23.307 -32.321 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.365 -21.658 -31.879 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.589 -24.135 -32.928 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.312 -22.488 -32.486 1.00 0.00 C ATOM 716 CZ PHE A 76 -11.923 -23.727 -33.010 1.00 0.00 C ATOM 0 H PHE A 76 -10.754 -20.960 -29.397 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.561 -22.701 -29.688 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.357 -20.140 -31.152 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.074 -21.203 -31.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.610 -23.622 -32.256 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.664 -20.702 -31.474 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.291 -25.090 -33.334 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.343 -22.174 -32.551 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.655 -24.368 -33.478 1.00 0.00 H new ATOM 726 N GLN A 77 -7.867 -19.692 -28.579 1.00 0.00 N ATOM 727 CA GLN A 77 -6.797 -18.906 -27.991 1.00 0.00 C ATOM 728 C GLN A 77 -6.597 -19.306 -26.535 1.00 0.00 C ATOM 729 O GLN A 77 -5.657 -18.859 -25.878 1.00 0.00 O ATOM 730 CB GLN A 77 -7.133 -17.418 -28.099 1.00 0.00 C ATOM 731 CG GLN A 77 -7.349 -17.074 -29.573 1.00 0.00 C ATOM 732 CD GLN A 77 -7.600 -15.579 -29.752 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.693 -14.805 -28.704 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.714 -15.105 -30.881 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.792 -19.263 -28.536 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.869 -19.096 -28.531 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.029 -17.189 -27.522 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.324 -16.816 -27.684 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.475 -17.372 -30.152 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.197 -17.638 -29.962 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.641 -15.711 -31.698 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.881 -14.106 -31.000 1.00 0.00 H new ATOM 743 N MET A 78 -7.492 -20.156 -26.045 1.00 0.00 N ATOM 744 CA MET A 78 -7.416 -20.619 -24.668 1.00 0.00 C ATOM 745 C MET A 78 -6.897 -22.054 -24.584 1.00 0.00 C ATOM 746 O MET A 78 -6.682 -22.569 -23.489 1.00 0.00 O ATOM 747 CB MET A 78 -8.793 -20.528 -24.018 1.00 0.00 C ATOM 748 CG MET A 78 -9.139 -19.058 -23.792 1.00 0.00 C ATOM 749 SD MET A 78 -10.664 -18.936 -22.826 1.00 0.00 S ATOM 750 CE MET A 78 -10.026 -19.648 -21.289 1.00 0.00 C ATOM 0 H MET A 78 -8.274 -20.536 -26.579 1.00 0.00 H new ATOM 0 HA MET A 78 -6.713 -19.978 -24.136 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.542 -20.998 -24.655 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.798 -21.066 -23.070 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.324 -18.558 -23.269 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.261 -18.551 -24.749 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.724 -19.445 -20.477 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.910 -20.725 -21.408 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.059 -19.203 -21.056 1.00 0.00 H new ATOM 760 N GLU A 79 -6.716 -22.703 -25.731 1.00 0.00 N ATOM 761 CA GLU A 79 -6.241 -24.087 -25.727 1.00 0.00 C ATOM 762 C GLU A 79 -4.818 -24.206 -25.174 1.00 0.00 C ATOM 763 O GLU A 79 -4.543 -25.095 -24.366 1.00 0.00 O ATOM 764 CB GLU A 79 -6.267 -24.685 -27.143 1.00 0.00 C ATOM 765 CG GLU A 79 -7.690 -25.104 -27.525 1.00 0.00 C ATOM 766 CD GLU A 79 -7.666 -25.857 -28.853 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.594 -25.984 -29.418 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.723 -26.293 -29.282 1.00 0.00 O ATOM 0 H GLU A 79 -6.886 -22.307 -26.655 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.919 -24.640 -25.077 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.893 -23.954 -27.859 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.603 -25.548 -27.192 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.115 -25.736 -26.745 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.329 -24.225 -27.606 1.00 0.00 H new ATOM 775 N ASN A 80 -3.898 -23.355 -25.625 1.00 0.00 N ATOM 776 CA ASN A 80 -2.506 -23.443 -25.175 1.00 0.00 C ATOM 777 C ASN A 80 -2.289 -22.854 -23.781 1.00 0.00 C ATOM 778 O ASN A 80 -2.482 -21.660 -23.555 1.00 0.00 O ATOM 779 CB ASN A 80 -1.612 -22.696 -26.167 1.00 0.00 C ATOM 780 CG ASN A 80 -0.144 -23.050 -25.926 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.235 -24.218 -26.007 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.710 -22.104 -25.639 1.00 0.00 N ATOM 0 H ASN A 80 -4.085 -22.606 -26.292 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.252 -24.502 -25.126 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.893 -22.955 -27.188 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.757 -21.621 -26.060 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.691 -22.333 -25.482 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.395 -21.136 -25.572 1.00 0.00 H new ATOM 789 N VAL A 81 -1.865 -23.714 -22.859 1.00 0.00 N ATOM 790 CA VAL A 81 -1.594 -23.296 -21.486 1.00 0.00 C ATOM 791 C VAL A 81 -0.096 -23.308 -21.201 1.00 0.00 C ATOM 792 O VAL A 81 0.330 -23.575 -20.077 1.00 0.00 O ATOM 793 CB VAL A 81 -2.315 -24.209 -20.494 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.819 -24.143 -20.756 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.833 -25.652 -20.667 1.00 0.00 C ATOM 0 H VAL A 81 -1.702 -24.705 -23.037 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.965 -22.278 -21.367 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.099 -23.880 -19.477 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.340 -24.792 -20.052 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.166 -23.117 -20.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.026 -24.472 -21.774 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.351 -26.296 -19.957 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.045 -25.987 -21.682 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.759 -25.701 -20.485 1.00 0.00 H new ATOM 805 N GLN A 82 0.698 -23.021 -22.230 1.00 0.00 N ATOM 806 CA GLN A 82 2.148 -23.006 -22.081 1.00 0.00 C ATOM 807 C GLN A 82 2.776 -21.895 -22.915 1.00 0.00 C ATOM 808 O GLN A 82 3.160 -22.099 -24.067 1.00 0.00 O ATOM 809 CB GLN A 82 2.724 -24.355 -22.502 1.00 0.00 C ATOM 810 CG GLN A 82 2.221 -25.429 -21.543 1.00 0.00 C ATOM 811 CD GLN A 82 2.788 -25.174 -20.149 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.000 -25.019 -19.990 1.00 0.00 O ATOM 813 NE2 GLN A 82 1.981 -25.113 -19.126 1.00 0.00 N ATOM 0 H GLN A 82 0.364 -22.798 -23.168 1.00 0.00 H new ATOM 0 HA GLN A 82 2.381 -22.818 -21.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.424 -24.591 -23.523 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.813 -24.320 -22.490 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.132 -25.421 -21.511 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.523 -26.416 -21.895 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.978 -25.242 -19.259 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.353 -24.937 -18.193 1.00 0.00 H new ATOM 822 N CYS A 83 2.881 -20.721 -22.316 1.00 0.00 N ATOM 823 CA CYS A 83 3.469 -19.570 -22.983 1.00 0.00 C ATOM 824 C CYS A 83 4.215 -18.722 -21.947 1.00 0.00 C ATOM 825 O CYS A 83 3.618 -18.295 -20.957 1.00 0.00 O ATOM 826 CB CYS A 83 2.357 -18.759 -23.648 1.00 0.00 C ATOM 827 SG CYS A 83 2.979 -17.119 -24.076 1.00 0.00 S ATOM 0 H CYS A 83 2.565 -20.539 -21.364 1.00 0.00 H new ATOM 0 HA CYS A 83 4.175 -19.890 -23.749 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.005 -19.271 -24.544 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.504 -18.672 -22.975 1.00 0.00 H new ATOM 832 N TYR A 84 5.520 -18.495 -22.149 1.00 0.00 N ATOM 833 CA TYR A 84 6.296 -17.716 -21.183 1.00 0.00 C ATOM 834 C TYR A 84 7.203 -16.684 -21.862 1.00 0.00 C ATOM 835 O TYR A 84 7.652 -16.878 -22.991 1.00 0.00 O ATOM 836 CB TYR A 84 7.169 -18.658 -20.360 1.00 0.00 C ATOM 837 CG TYR A 84 6.305 -19.710 -19.709 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.918 -20.844 -20.436 1.00 0.00 C ATOM 839 CD2 TYR A 84 5.894 -19.556 -18.379 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.120 -21.823 -19.832 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.098 -20.535 -17.778 1.00 0.00 C ATOM 842 CZ TYR A 84 4.710 -21.668 -18.503 1.00 0.00 C ATOM 843 OH TYR A 84 3.919 -22.631 -17.909 1.00 0.00 O ATOM 0 H TYR A 84 6.048 -18.832 -22.954 1.00 0.00 H new ATOM 0 HA TYR A 84 5.586 -17.182 -20.552 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.915 -19.130 -20.999 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.711 -18.096 -19.599 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.235 -20.963 -21.462 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.192 -18.682 -17.819 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.821 -22.697 -20.391 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.782 -20.417 -16.752 1.00 0.00 H new ATOM 0 HH TYR A 84 3.934 -23.447 -18.452 1.00 0.00 H new ATOM 853 N LEU A 85 7.492 -15.602 -21.133 1.00 0.00 N ATOM 854 CA LEU A 85 8.376 -14.545 -21.631 1.00 0.00 C ATOM 855 C LEU A 85 9.184 -13.959 -20.478 1.00 0.00 C ATOM 856 O LEU A 85 8.763 -12.996 -19.840 1.00 0.00 O ATOM 857 CB LEU A 85 7.566 -13.431 -22.298 1.00 0.00 C ATOM 858 CG LEU A 85 8.517 -12.427 -22.951 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.161 -13.057 -24.188 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.735 -11.176 -23.367 1.00 0.00 C ATOM 0 H LEU A 85 7.126 -15.435 -20.196 1.00 0.00 H new ATOM 0 HA LEU A 85 9.049 -14.982 -22.369 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.896 -13.853 -23.047 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.942 -12.929 -21.559 1.00 0.00 H new ATOM 0 HG LEU A 85 9.294 -12.152 -22.238 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.838 -12.339 -24.651 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.720 -13.946 -23.895 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.385 -13.335 -24.901 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.413 -10.461 -23.832 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.957 -11.453 -24.078 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.278 -10.723 -22.487 1.00 0.00 H new ATOM 872 N PRO A 86 10.320 -14.530 -20.195 1.00 0.00 N ATOM 873 CA PRO A 86 11.207 -14.072 -19.085 1.00 0.00 C ATOM 874 C PRO A 86 11.434 -12.554 -19.074 1.00 0.00 C ATOM 875 O PRO A 86 11.305 -11.912 -18.030 1.00 0.00 O ATOM 876 CB PRO A 86 12.515 -14.819 -19.347 1.00 0.00 C ATOM 877 CG PRO A 86 12.109 -16.061 -20.062 1.00 0.00 C ATOM 878 CD PRO A 86 10.890 -15.687 -20.904 1.00 0.00 C ATOM 0 HA PRO A 86 10.767 -14.280 -18.110 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.198 -14.221 -19.950 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.032 -15.050 -18.415 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.919 -16.431 -20.691 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.866 -16.855 -19.356 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.172 -15.432 -21.926 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.178 -16.510 -20.966 1.00 0.00 H new ATOM 886 N ASP A 87 11.802 -11.987 -20.225 1.00 0.00 N ATOM 887 CA ASP A 87 12.076 -10.552 -20.310 1.00 0.00 C ATOM 888 C ASP A 87 10.892 -9.731 -19.809 1.00 0.00 C ATOM 889 O ASP A 87 11.040 -8.557 -19.484 1.00 0.00 O ATOM 890 CB ASP A 87 12.360 -10.151 -21.759 1.00 0.00 C ATOM 891 CG ASP A 87 13.557 -10.917 -22.304 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.216 -11.586 -21.527 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.795 -10.821 -23.496 1.00 0.00 O ATOM 0 H ASP A 87 11.916 -12.494 -21.103 1.00 0.00 H new ATOM 0 HA ASP A 87 12.945 -10.351 -19.684 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.483 -10.350 -22.375 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.552 -9.079 -21.814 1.00 0.00 H new ATOM 898 N ALA A 88 9.718 -10.341 -19.759 1.00 0.00 N ATOM 899 CA ALA A 88 8.531 -9.627 -19.296 1.00 0.00 C ATOM 900 C ALA A 88 8.751 -9.088 -17.888 1.00 0.00 C ATOM 901 O ALA A 88 8.259 -8.015 -17.526 1.00 0.00 O ATOM 902 CB ALA A 88 7.324 -10.562 -19.290 1.00 0.00 C ATOM 0 H ALA A 88 9.559 -11.312 -20.028 1.00 0.00 H new ATOM 0 HA ALA A 88 8.346 -8.795 -19.976 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.445 -10.019 -18.943 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.146 -10.933 -20.299 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.518 -11.402 -18.623 1.00 0.00 H new ATOM 908 N PHE A 89 9.494 -9.848 -17.100 1.00 0.00 N ATOM 909 CA PHE A 89 9.786 -9.461 -15.733 1.00 0.00 C ATOM 910 C PHE A 89 10.627 -8.186 -15.663 1.00 0.00 C ATOM 911 O PHE A 89 10.403 -7.334 -14.802 1.00 0.00 O ATOM 912 CB PHE A 89 10.530 -10.599 -15.038 1.00 0.00 C ATOM 913 CG PHE A 89 11.213 -10.060 -13.810 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.495 -9.906 -12.623 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.563 -9.694 -13.868 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.131 -9.393 -11.487 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.198 -9.180 -12.738 1.00 0.00 C ATOM 918 CZ PHE A 89 12.484 -9.028 -11.545 1.00 0.00 C ATOM 0 H PHE A 89 9.905 -10.737 -17.385 1.00 0.00 H new ATOM 0 HA PHE A 89 8.839 -9.259 -15.233 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.834 -11.392 -14.764 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.263 -11.038 -15.715 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.452 -10.182 -12.581 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.114 -9.810 -14.790 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.580 -9.278 -10.565 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.240 -8.900 -12.784 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.974 -8.630 -10.669 1.00 0.00 H new ATOM 928 N LYS A 90 11.610 -8.072 -16.552 1.00 0.00 N ATOM 929 CA LYS A 90 12.488 -6.904 -16.548 1.00 0.00 C ATOM 930 C LYS A 90 11.713 -5.646 -16.910 1.00 0.00 C ATOM 931 O LYS A 90 11.932 -4.585 -16.326 1.00 0.00 O ATOM 932 CB LYS A 90 13.650 -7.094 -17.532 1.00 0.00 C ATOM 933 CG LYS A 90 13.277 -6.513 -18.896 1.00 0.00 C ATOM 934 CD LYS A 90 14.301 -6.961 -19.933 1.00 0.00 C ATOM 935 CE LYS A 90 15.671 -6.402 -19.555 1.00 0.00 C ATOM 936 NZ LYS A 90 16.544 -6.383 -20.759 1.00 0.00 N ATOM 0 H LYS A 90 11.817 -8.762 -17.274 1.00 0.00 H new ATOM 0 HA LYS A 90 12.891 -6.794 -15.541 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.545 -6.603 -17.150 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.885 -8.154 -17.630 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.280 -6.846 -19.185 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.247 -5.425 -18.844 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.338 -8.049 -19.979 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.012 -6.610 -20.924 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.567 -5.395 -19.151 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.123 -7.013 -18.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.478 -6.003 -20.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.652 -7.351 -21.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.113 -5.782 -21.491 1.00 0.00 H new ATOM 950 N ILE A 91 10.817 -5.767 -17.882 1.00 0.00 N ATOM 951 CA ILE A 91 10.027 -4.624 -18.316 1.00 0.00 C ATOM 952 C ILE A 91 9.202 -4.060 -17.168 1.00 0.00 C ATOM 953 O ILE A 91 9.187 -2.854 -16.932 1.00 0.00 O ATOM 954 CB ILE A 91 9.081 -5.041 -19.443 1.00 0.00 C ATOM 955 CG1 ILE A 91 9.884 -5.619 -20.606 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.292 -3.828 -19.926 1.00 0.00 C ATOM 957 CD1 ILE A 91 8.921 -6.146 -21.667 1.00 0.00 C ATOM 0 H ILE A 91 10.621 -6.636 -18.379 1.00 0.00 H new ATOM 0 HA ILE A 91 10.717 -3.857 -18.668 1.00 0.00 H new ATOM 0 HB ILE A 91 8.392 -5.798 -19.068 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.531 -4.853 -21.033 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.531 -6.422 -20.253 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.619 -4.128 -20.729 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.711 -3.419 -19.099 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.982 -3.069 -20.295 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.489 -6.560 -22.500 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.293 -6.924 -21.234 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.293 -5.330 -22.026 1.00 0.00 H new ATOM 969 N MET A 92 8.505 -4.938 -16.462 1.00 0.00 N ATOM 970 CA MET A 92 7.665 -4.506 -15.356 1.00 0.00 C ATOM 971 C MET A 92 8.503 -4.015 -14.186 1.00 0.00 C ATOM 972 O MET A 92 8.154 -3.033 -13.533 1.00 0.00 O ATOM 973 CB MET A 92 6.790 -5.669 -14.902 1.00 0.00 C ATOM 974 CG MET A 92 5.890 -6.108 -16.058 1.00 0.00 C ATOM 975 SD MET A 92 4.830 -4.729 -16.565 1.00 0.00 S ATOM 976 CE MET A 92 3.925 -4.532 -15.009 1.00 0.00 C ATOM 0 H MET A 92 8.504 -5.944 -16.633 1.00 0.00 H new ATOM 0 HA MET A 92 7.043 -3.680 -15.700 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.413 -6.501 -14.575 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.183 -5.370 -14.047 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.498 -6.440 -16.899 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.278 -6.957 -15.753 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.855 -4.612 -15.198 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.229 -5.311 -14.310 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.146 -3.554 -14.581 1.00 0.00 H new ATOM 986 N SER A 93 9.605 -4.699 -13.919 1.00 0.00 N ATOM 987 CA SER A 93 10.470 -4.313 -12.815 1.00 0.00 C ATOM 988 C SER A 93 10.987 -2.886 -12.996 1.00 0.00 C ATOM 989 O SER A 93 10.961 -2.084 -12.065 1.00 0.00 O ATOM 990 CB SER A 93 11.648 -5.276 -12.735 1.00 0.00 C ATOM 991 OG SER A 93 11.182 -6.561 -12.338 1.00 0.00 O ATOM 0 H SER A 93 9.919 -5.515 -14.445 1.00 0.00 H new ATOM 0 HA SER A 93 9.892 -4.353 -11.892 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.146 -5.340 -13.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.385 -4.908 -12.021 1.00 0.00 H new ATOM 0 HG SER A 93 11.894 -7.222 -12.469 1.00 0.00 H new ATOM 997 N GLN A 94 11.437 -2.570 -14.202 1.00 0.00 N ATOM 998 CA GLN A 94 11.936 -1.231 -14.486 1.00 0.00 C ATOM 999 C GLN A 94 10.804 -0.201 -14.393 1.00 0.00 C ATOM 1000 O GLN A 94 11.009 0.939 -13.978 1.00 0.00 O ATOM 1001 CB GLN A 94 12.558 -1.186 -15.886 1.00 0.00 C ATOM 1002 CG GLN A 94 13.842 -2.022 -15.905 1.00 0.00 C ATOM 1003 CD GLN A 94 14.445 -2.049 -17.307 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.743 -1.640 -18.328 1.00 0.00 O flip ATOM 1005 NE2 GLN A 94 15.590 -2.465 -17.478 1.00 0.00 N flip ATOM 0 H GLN A 94 11.467 -3.214 -14.992 1.00 0.00 H new ATOM 0 HA GLN A 94 12.696 -0.985 -13.745 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.851 -1.570 -16.622 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.779 -0.155 -16.164 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.563 -1.607 -15.201 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.625 -3.039 -15.577 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.141 -2.785 -16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.989 -2.490 -18.416 1.00 0.00 H new ATOM 1014 N ARG A 95 9.615 -0.614 -14.818 1.00 0.00 N ATOM 1015 CA ARG A 95 8.450 0.270 -14.820 1.00 0.00 C ATOM 1016 C ARG A 95 7.827 0.477 -13.431 1.00 0.00 C ATOM 1017 O ARG A 95 7.251 1.533 -13.168 1.00 0.00 O ATOM 1018 CB ARG A 95 7.393 -0.278 -15.784 1.00 0.00 C ATOM 1019 CG ARG A 95 7.920 -0.187 -17.223 1.00 0.00 C ATOM 1020 CD ARG A 95 6.872 -0.734 -18.201 1.00 0.00 C ATOM 1021 NE ARG A 95 7.445 -0.874 -19.539 1.00 0.00 N ATOM 1022 CZ ARG A 95 6.725 -0.639 -20.632 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.482 -0.258 -20.527 1.00 0.00 N ATOM 1024 NH2 ARG A 95 7.260 -0.795 -21.813 1.00 0.00 N ATOM 0 H ARG A 95 9.430 -1.555 -15.166 1.00 0.00 H new ATOM 0 HA ARG A 95 8.803 1.248 -15.146 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.160 -1.313 -15.535 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.467 0.289 -15.687 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.153 0.849 -17.469 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.847 -0.753 -17.316 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.509 -1.700 -17.851 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.013 -0.064 -18.235 1.00 0.00 H new ATOM 0 HE ARG A 95 8.420 -1.159 -19.636 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.061 -0.140 -19.606 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.931 -0.078 -21.366 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.231 -1.097 -21.897 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.707 -0.615 -22.651 1.00 0.00 H new ATOM 1038 N CYS A 96 7.887 -0.528 -12.558 1.00 0.00 N ATOM 1039 CA CYS A 96 7.254 -0.392 -11.239 1.00 0.00 C ATOM 1040 C CYS A 96 8.241 -0.357 -10.061 1.00 0.00 C ATOM 1041 O CYS A 96 7.853 -0.006 -8.944 1.00 0.00 O ATOM 1042 CB CYS A 96 6.275 -1.542 -11.035 1.00 0.00 C ATOM 1043 SG CYS A 96 5.033 -1.502 -12.350 1.00 0.00 S ATOM 0 H CYS A 96 8.351 -1.420 -12.728 1.00 0.00 H new ATOM 0 HA CYS A 96 6.749 0.574 -11.242 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.805 -2.494 -11.048 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.794 -1.458 -10.061 1.00 0.00 H new ATOM 1048 N ASN A 97 9.491 -0.738 -10.277 1.00 0.00 N ATOM 1049 CA ASN A 97 10.455 -0.748 -9.178 1.00 0.00 C ATOM 1050 C ASN A 97 10.679 0.641 -8.586 1.00 0.00 C ATOM 1051 O ASN A 97 10.866 1.625 -9.305 1.00 0.00 O ATOM 1052 CB ASN A 97 11.791 -1.314 -9.649 1.00 0.00 C ATOM 1053 CG ASN A 97 11.684 -2.826 -9.799 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.615 -3.392 -9.579 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.737 -3.520 -10.141 1.00 0.00 N ATOM 0 H ASN A 97 9.859 -1.038 -11.179 1.00 0.00 H new ATOM 0 HA ASN A 97 10.034 -1.381 -8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.072 -0.864 -10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.575 -1.064 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.674 -4.534 -10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.622 -3.047 -10.323 1.00 0.00 H new ATOM 1062 N ASN A 98 10.682 0.697 -7.256 1.00 0.00 N ATOM 1063 CA ASN A 98 10.908 1.938 -6.528 1.00 0.00 C ATOM 1064 C ASN A 98 9.809 2.964 -6.788 1.00 0.00 C ATOM 1065 O ASN A 98 9.945 4.132 -6.422 1.00 0.00 O ATOM 1066 CB ASN A 98 12.287 2.515 -6.868 1.00 0.00 C ATOM 1067 CG ASN A 98 13.373 1.547 -6.392 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.069 0.512 -5.799 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.637 1.890 -6.643 1.00 0.00 N ATOM 0 H ASN A 98 10.528 -0.114 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 98 10.879 1.703 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.372 2.675 -7.943 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.415 3.486 -6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.841 2.758 -7.138 1.00 0.00 H new ATOM 1075 N ARG A 99 8.705 2.527 -7.386 1.00 0.00 N ATOM 1076 CA ARG A 99 7.591 3.432 -7.635 1.00 0.00 C ATOM 1077 C ARG A 99 6.401 3.029 -6.788 1.00 0.00 C ATOM 1078 O ARG A 99 6.163 1.849 -6.542 1.00 0.00 O ATOM 1079 CB ARG A 99 7.186 3.427 -9.108 1.00 0.00 C ATOM 1080 CG ARG A 99 8.261 4.134 -9.929 1.00 0.00 C ATOM 1081 CD ARG A 99 7.856 4.140 -11.401 1.00 0.00 C ATOM 1082 NE ARG A 99 8.805 4.922 -12.187 1.00 0.00 N ATOM 1083 CZ ARG A 99 8.600 6.215 -12.446 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.543 6.823 -11.973 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.461 6.875 -13.174 1.00 0.00 N ATOM 0 H ARG A 99 8.559 1.568 -7.702 1.00 0.00 H new ATOM 0 HA ARG A 99 7.914 4.439 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.059 2.403 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.227 3.928 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.392 5.156 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.219 3.628 -9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.817 3.118 -11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.855 4.558 -11.508 1.00 0.00 H new ATOM 0 HE ARG A 99 9.645 4.469 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.871 6.309 -11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.391 7.811 -12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.286 6.402 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.308 7.863 -13.374 1.00 0.00 H new ATOM 1099 N THR A 100 5.659 4.024 -6.344 1.00 0.00 N ATOM 1100 CA THR A 100 4.491 3.780 -5.522 1.00 0.00 C ATOM 1101 C THR A 100 3.379 3.186 -6.376 1.00 0.00 C ATOM 1102 O THR A 100 2.588 2.366 -5.909 1.00 0.00 O ATOM 1103 CB THR A 100 4.056 5.097 -4.884 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.185 5.689 -4.257 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.971 4.833 -3.836 1.00 0.00 C ATOM 0 H THR A 100 5.844 5.008 -6.538 1.00 0.00 H new ATOM 0 HA THR A 100 4.724 3.067 -4.731 1.00 0.00 H new ATOM 0 HB THR A 100 3.656 5.764 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.922 6.538 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.664 5.776 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.111 4.363 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.364 4.172 -3.064 1.00 0.00 H new ATOM 1113 N GLN A 101 3.342 3.596 -7.636 1.00 0.00 N ATOM 1114 CA GLN A 101 2.343 3.094 -8.567 1.00 0.00 C ATOM 1115 C GLN A 101 2.864 3.156 -9.995 1.00 0.00 C ATOM 1116 O GLN A 101 3.726 3.975 -10.322 1.00 0.00 O ATOM 1117 CB GLN A 101 1.063 3.915 -8.449 1.00 0.00 C ATOM 1118 CG GLN A 101 1.366 5.370 -8.779 1.00 0.00 C ATOM 1119 CD GLN A 101 1.040 5.662 -10.239 1.00 0.00 C ATOM 1120 OE1 GLN A 101 0.097 4.988 -10.838 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 1.660 6.531 -10.851 1.00 0.00 N flip ATOM 0 H GLN A 101 3.991 4.274 -8.036 1.00 0.00 H new ATOM 0 HA GLN A 101 2.129 2.055 -8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.304 3.526 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.658 3.836 -7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.784 6.025 -8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.417 5.582 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.397 7.058 -10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.437 6.725 -11.827 1.00 0.00 H new ATOM 1130 N CYS A 102 2.338 2.284 -10.838 1.00 0.00 N ATOM 1131 CA CYS A 102 2.755 2.245 -12.231 1.00 0.00 C ATOM 1132 C CYS A 102 1.636 1.712 -13.109 1.00 0.00 C ATOM 1133 O CYS A 102 0.763 0.980 -12.642 1.00 0.00 O ATOM 1134 CB CYS A 102 3.979 1.341 -12.379 1.00 0.00 C ATOM 1135 SG CYS A 102 3.610 -0.264 -11.636 1.00 0.00 S ATOM 0 H CYS A 102 1.627 1.598 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 102 3.002 3.259 -12.544 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.234 1.220 -13.432 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.843 1.793 -11.892 1.00 0.00 H new ATOM 1140 N VAL A 103 1.682 2.068 -14.385 1.00 0.00 N ATOM 1141 CA VAL A 103 0.684 1.605 -15.334 1.00 0.00 C ATOM 1142 C VAL A 103 1.388 1.083 -16.575 1.00 0.00 C ATOM 1143 O VAL A 103 2.203 1.782 -17.180 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.268 2.741 -15.700 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.358 2.210 -16.625 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -0.910 3.299 -14.427 1.00 0.00 C ATOM 0 H VAL A 103 2.398 2.674 -14.785 1.00 0.00 H new ATOM 0 HA VAL A 103 0.097 0.804 -14.885 1.00 0.00 H new ATOM 0 HB VAL A 103 0.287 3.532 -16.205 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.039 3.020 -16.887 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.903 1.810 -17.531 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.912 1.420 -16.118 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.590 4.110 -14.688 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.465 2.508 -13.923 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.133 3.677 -13.763 1.00 0.00 H new ATOM 1156 N VAL A 104 1.097 -0.154 -16.933 1.00 0.00 N ATOM 1157 CA VAL A 104 1.741 -0.772 -18.085 1.00 0.00 C ATOM 1158 C VAL A 104 0.727 -1.474 -18.983 1.00 0.00 C ATOM 1159 O VAL A 104 -0.251 -2.040 -18.501 1.00 0.00 O ATOM 1160 CB VAL A 104 2.765 -1.792 -17.584 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.492 -2.432 -18.767 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.783 -1.095 -16.682 1.00 0.00 C ATOM 0 H VAL A 104 0.425 -0.749 -16.449 1.00 0.00 H new ATOM 0 HA VAL A 104 2.226 0.008 -18.672 1.00 0.00 H new ATOM 0 HB VAL A 104 2.245 -2.567 -17.021 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.219 -3.156 -18.399 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.769 -2.937 -19.408 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.007 -1.660 -19.338 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.512 -1.823 -16.326 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.295 -0.315 -17.246 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.269 -0.649 -15.830 1.00 0.00 H new ATOM 1172 N VAL A 105 0.973 -1.451 -20.291 1.00 0.00 N ATOM 1173 CA VAL A 105 0.077 -2.114 -21.232 1.00 0.00 C ATOM 1174 C VAL A 105 0.404 -3.600 -21.309 1.00 0.00 C ATOM 1175 O VAL A 105 1.505 -3.980 -21.709 1.00 0.00 O ATOM 1176 CB VAL A 105 0.217 -1.510 -22.627 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.665 -2.299 -23.594 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.225 -0.045 -22.614 1.00 0.00 C ATOM 0 H VAL A 105 1.775 -0.987 -20.718 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.944 -1.975 -20.878 1.00 0.00 H new ATOM 0 HB VAL A 105 1.259 -1.559 -22.942 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.575 -1.878 -24.595 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.347 -3.341 -23.609 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.704 -2.241 -23.269 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.121 0.375 -23.614 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.267 0.018 -22.301 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.398 0.517 -21.918 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.544 -4.438 -20.909 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.326 -5.880 -20.921 1.00 0.00 C ATOM 1190 C ALA A 106 -0.281 -6.443 -22.339 1.00 0.00 C ATOM 1191 O ALA A 106 -0.784 -7.539 -22.582 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.435 -6.593 -20.147 1.00 0.00 C ATOM 0 H ALA A 106 -1.463 -4.148 -20.575 1.00 0.00 H new ATOM 0 HA ALA A 106 0.640 -6.055 -20.447 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.258 -7.668 -20.165 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.441 -6.244 -19.115 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.398 -6.376 -20.609 1.00 0.00 H new ATOM 1198 N GLY A 107 0.296 -5.702 -23.279 1.00 0.00 N ATOM 1199 CA GLY A 107 0.367 -6.172 -24.658 1.00 0.00 C ATOM 1200 C GLY A 107 1.007 -5.128 -25.559 1.00 0.00 C ATOM 1201 O GLY A 107 2.128 -4.684 -25.313 1.00 0.00 O ATOM 0 H GLY A 107 0.716 -4.787 -23.116 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.943 -7.097 -24.701 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.635 -6.403 -25.019 1.00 0.00 H new ATOM 1205 N SER A 108 0.276 -4.739 -26.597 1.00 0.00 N ATOM 1206 CA SER A 108 0.763 -3.742 -27.544 1.00 0.00 C ATOM 1207 C SER A 108 2.280 -3.808 -27.683 1.00 0.00 C ATOM 1208 O SER A 108 2.902 -4.816 -27.355 1.00 0.00 O ATOM 1209 CB SER A 108 0.358 -2.347 -27.076 1.00 0.00 C ATOM 1210 OG SER A 108 0.663 -1.403 -28.094 1.00 0.00 O ATOM 0 H SER A 108 -0.656 -5.098 -26.805 1.00 0.00 H new ATOM 0 HA SER A 108 0.318 -3.953 -28.516 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.708 -2.322 -26.849 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.886 -2.092 -26.157 1.00 0.00 H new ATOM 0 HG SER A 108 0.402 -0.506 -27.797 1.00 0.00 H new ATOM 1216 N ASP A 109 2.864 -2.723 -28.191 1.00 0.00 N ATOM 1217 CA ASP A 109 4.306 -2.654 -28.396 1.00 0.00 C ATOM 1218 C ASP A 109 5.058 -2.714 -27.074 1.00 0.00 C ATOM 1219 O ASP A 109 6.285 -2.627 -27.051 1.00 0.00 O ATOM 1220 CB ASP A 109 4.666 -1.350 -29.109 1.00 0.00 C ATOM 1221 CG ASP A 109 4.325 -1.442 -30.594 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.750 -2.442 -30.992 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.639 -0.505 -31.311 1.00 0.00 O ATOM 0 H ASP A 109 2.359 -1.881 -28.467 1.00 0.00 H new ATOM 0 HA ASP A 109 4.596 -3.511 -29.003 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.125 -0.519 -28.656 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.729 -1.143 -28.986 1.00 0.00 H new ATOM 1228 N ALA A 110 4.319 -2.851 -25.978 1.00 0.00 N ATOM 1229 CA ALA A 110 4.947 -2.905 -24.662 1.00 0.00 C ATOM 1230 C ALA A 110 5.394 -4.320 -24.327 1.00 0.00 C ATOM 1231 O ALA A 110 6.168 -4.528 -23.391 1.00 0.00 O ATOM 1232 CB ALA A 110 3.970 -2.426 -23.586 1.00 0.00 C ATOM 0 H ALA A 110 3.302 -2.926 -25.972 1.00 0.00 H new ATOM 0 HA ALA A 110 5.819 -2.252 -24.686 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.453 -2.472 -22.610 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.673 -1.399 -23.796 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.088 -3.066 -23.585 1.00 0.00 H new ATOM 1238 N PHE A 111 4.918 -5.292 -25.092 1.00 0.00 N ATOM 1239 CA PHE A 111 5.298 -6.675 -24.844 1.00 0.00 C ATOM 1240 C PHE A 111 5.412 -7.465 -26.148 1.00 0.00 C ATOM 1241 O PHE A 111 4.492 -7.456 -26.966 1.00 0.00 O ATOM 1242 CB PHE A 111 4.267 -7.342 -23.934 1.00 0.00 C ATOM 1243 CG PHE A 111 4.526 -6.931 -22.505 1.00 0.00 C ATOM 1244 CD1 PHE A 111 4.086 -5.682 -22.051 1.00 0.00 C ATOM 1245 CD2 PHE A 111 5.213 -7.791 -21.639 1.00 0.00 C ATOM 1246 CE1 PHE A 111 4.333 -5.295 -20.732 1.00 0.00 C ATOM 1247 CE2 PHE A 111 5.458 -7.400 -20.317 1.00 0.00 C ATOM 1248 CZ PHE A 111 5.021 -6.153 -19.866 1.00 0.00 C ATOM 0 H PHE A 111 4.280 -5.153 -25.875 1.00 0.00 H new ATOM 0 HA PHE A 111 6.274 -6.672 -24.359 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.260 -7.051 -24.232 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.327 -8.426 -24.030 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.557 -5.019 -22.719 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.553 -8.754 -21.990 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.993 -4.332 -20.380 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.985 -8.063 -19.646 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.214 -5.850 -18.848 1.00 0.00 H new ATOM 1258 N PRO A 112 6.503 -8.165 -26.345 1.00 0.00 N ATOM 1259 CA PRO A 112 6.701 -8.992 -27.566 1.00 0.00 C ATOM 1260 C PRO A 112 5.523 -9.919 -27.797 1.00 0.00 C ATOM 1261 O PRO A 112 4.375 -9.569 -27.521 1.00 0.00 O ATOM 1262 CB PRO A 112 7.952 -9.818 -27.276 1.00 0.00 C ATOM 1263 CG PRO A 112 8.654 -9.155 -26.134 1.00 0.00 C ATOM 1264 CD PRO A 112 7.655 -8.240 -25.431 1.00 0.00 C ATOM 0 HA PRO A 112 6.795 -8.372 -28.458 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.687 -10.845 -27.023 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.598 -9.862 -28.153 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.041 -9.901 -25.440 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.508 -8.581 -26.494 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.364 -8.643 -24.461 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.082 -7.253 -25.251 1.00 0.00 H new ATOM 1272 N ASP A 113 5.817 -11.104 -28.303 1.00 0.00 N ATOM 1273 CA ASP A 113 4.776 -12.083 -28.561 1.00 0.00 C ATOM 1274 C ASP A 113 5.311 -13.499 -28.328 1.00 0.00 C ATOM 1275 O ASP A 113 5.800 -14.146 -29.255 1.00 0.00 O ATOM 1276 CB ASP A 113 4.300 -11.942 -30.003 1.00 0.00 C ATOM 1277 CG ASP A 113 2.896 -12.520 -30.141 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.567 -13.417 -29.382 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.167 -12.047 -30.996 1.00 0.00 O ATOM 0 H ASP A 113 6.760 -11.410 -28.542 1.00 0.00 H new ATOM 0 HA ASP A 113 3.943 -11.908 -27.881 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.301 -10.892 -30.295 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.985 -12.461 -30.674 1.00 0.00 H new ATOM 1284 N PRO A 114 5.244 -13.983 -27.113 1.00 0.00 N ATOM 1285 CA PRO A 114 5.753 -15.347 -26.754 1.00 0.00 C ATOM 1286 C PRO A 114 4.812 -16.477 -27.171 1.00 0.00 C ATOM 1287 O PRO A 114 5.135 -17.654 -27.005 1.00 0.00 O ATOM 1288 CB PRO A 114 5.845 -15.286 -25.235 1.00 0.00 C ATOM 1289 CG PRO A 114 4.758 -14.343 -24.835 1.00 0.00 C ATOM 1290 CD PRO A 114 4.675 -13.293 -25.939 1.00 0.00 C ATOM 0 HA PRO A 114 6.691 -15.568 -27.263 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.702 -16.270 -24.788 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.822 -14.927 -24.910 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.809 -14.868 -24.725 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.979 -13.880 -23.873 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.647 -12.978 -26.117 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.243 -12.398 -25.685 1.00 0.00 H new ATOM 1298 N CYS A 115 3.649 -16.124 -27.701 1.00 0.00 N ATOM 1299 CA CYS A 115 2.684 -17.136 -28.115 1.00 0.00 C ATOM 1300 C CYS A 115 1.590 -16.544 -28.991 1.00 0.00 C ATOM 1301 O CYS A 115 0.408 -16.563 -28.640 1.00 0.00 O ATOM 1302 CB CYS A 115 2.063 -17.790 -26.881 1.00 0.00 C ATOM 1303 SG CYS A 115 1.799 -16.535 -25.607 1.00 0.00 S ATOM 0 H CYS A 115 3.353 -15.160 -27.853 1.00 0.00 H new ATOM 0 HA CYS A 115 3.214 -17.885 -28.704 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.117 -18.263 -27.143 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.718 -18.576 -26.504 1.00 0.00 H new ATOM 1308 N PRO A 116 1.956 -16.043 -30.134 1.00 0.00 N ATOM 1309 CA PRO A 116 0.977 -15.468 -31.081 1.00 0.00 C ATOM 1310 C PRO A 116 -0.105 -16.484 -31.409 1.00 0.00 C ATOM 1311 O PRO A 116 0.162 -17.686 -31.476 1.00 0.00 O ATOM 1312 CB PRO A 116 1.789 -15.117 -32.331 1.00 0.00 C ATOM 1313 CG PRO A 116 3.176 -15.636 -32.115 1.00 0.00 C ATOM 1314 CD PRO A 116 3.329 -15.978 -30.634 1.00 0.00 C ATOM 0 HA PRO A 116 0.471 -14.595 -30.668 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.343 -15.566 -33.218 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.802 -14.039 -32.492 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.352 -16.519 -32.730 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.912 -14.889 -32.411 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.848 -16.927 -30.496 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.908 -15.219 -30.108 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.321 -16.013 -31.617 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.416 -16.911 -31.938 1.00 0.00 C ATOM 1324 C GLY A 117 -3.134 -17.364 -30.674 1.00 0.00 C ATOM 1325 O GLY A 117 -4.184 -18.000 -30.744 1.00 0.00 O ATOM 0 H GLY A 117 -1.574 -15.026 -31.570 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.120 -16.410 -32.602 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.034 -17.779 -32.475 1.00 0.00 H new ATOM 1329 N THR A 118 -2.569 -17.035 -29.515 1.00 0.00 N ATOM 1330 CA THR A 118 -3.176 -17.420 -28.250 1.00 0.00 C ATOM 1331 C THR A 118 -3.445 -16.181 -27.395 1.00 0.00 C ATOM 1332 O THR A 118 -2.697 -15.207 -27.463 1.00 0.00 O ATOM 1333 CB THR A 118 -2.232 -18.357 -27.495 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.854 -19.431 -28.340 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.938 -18.903 -26.256 1.00 0.00 C ATOM 0 H THR A 118 -1.700 -16.508 -29.428 1.00 0.00 H new ATOM 0 HA THR A 118 -4.119 -17.928 -28.451 1.00 0.00 H new ATOM 0 HB THR A 118 -1.342 -17.807 -27.190 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.248 -20.030 -27.856 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.265 -19.571 -25.718 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.224 -18.076 -25.606 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.830 -19.453 -26.558 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.494 -16.216 -26.571 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.781 -15.071 -25.716 1.00 0.00 C ATOM 1345 C TYR A 119 -3.937 -15.173 -24.461 1.00 0.00 C ATOM 1346 O TYR A 119 -4.006 -16.159 -23.724 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.259 -15.000 -25.330 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.538 -13.642 -24.727 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.252 -13.399 -23.377 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.073 -12.623 -25.521 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.507 -12.139 -22.822 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.328 -11.363 -24.968 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.047 -11.120 -23.616 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.298 -9.876 -23.071 1.00 0.00 O ATOM 0 H TYR A 119 -5.139 -17.001 -26.480 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.542 -14.164 -26.271 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.887 -15.160 -26.207 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.501 -15.787 -24.616 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -5.835 -14.184 -22.764 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.290 -12.809 -26.563 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.287 -11.953 -21.781 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.741 -10.577 -25.583 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.953 -9.181 -23.670 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.086 -14.185 -24.275 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.156 -14.187 -23.160 1.00 0.00 C ATOM 1366 C LYS A 120 -2.662 -13.425 -21.932 1.00 0.00 C ATOM 1367 O LYS A 120 -3.847 -13.123 -21.780 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.851 -13.570 -23.643 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.384 -14.298 -24.901 1.00 0.00 C ATOM 1370 CD LYS A 120 0.827 -13.567 -25.480 1.00 0.00 C ATOM 1371 CE LYS A 120 1.100 -14.059 -26.899 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.926 -12.929 -27.858 1.00 0.00 N ATOM 0 H LYS A 120 -3.018 -13.368 -24.882 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.026 -15.220 -22.837 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.993 -12.510 -23.854 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.091 -13.641 -22.864 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.123 -15.329 -24.664 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.189 -14.334 -25.636 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.645 -12.492 -25.487 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.701 -13.738 -24.852 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.112 -14.457 -26.969 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.419 -14.872 -27.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.288 -13.208 -28.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.084 -12.691 -27.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.452 -12.099 -27.516 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.690 -13.081 -21.101 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.921 -12.298 -19.893 1.00 0.00 C ATOM 1388 C TYR A 121 -0.602 -11.905 -19.248 1.00 0.00 C ATOM 1389 O TYR A 121 0.464 -12.352 -19.665 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.816 -13.041 -18.885 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.119 -14.258 -18.316 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -0.990 -14.130 -17.487 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.620 -15.527 -18.621 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.370 -15.276 -16.975 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -1.998 -16.666 -18.104 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.874 -16.542 -17.286 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.260 -17.670 -16.787 1.00 0.00 O ATOM 0 H TYR A 121 -0.713 -13.338 -21.245 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.450 -11.393 -20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.091 -12.366 -18.075 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.741 -13.346 -19.374 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.603 -13.151 -17.246 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.488 -15.627 -19.256 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.498 -15.182 -16.339 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.388 -17.646 -18.338 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.925 -18.380 -16.670 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.691 -11.073 -18.218 1.00 0.00 N ATOM 1408 CA LEU A 122 0.494 -10.632 -17.503 1.00 0.00 C ATOM 1409 C LEU A 122 0.274 -10.779 -16.005 1.00 0.00 C ATOM 1410 O LEU A 122 -0.682 -10.239 -15.464 1.00 0.00 O ATOM 1411 CB LEU A 122 0.785 -9.167 -17.841 1.00 0.00 C ATOM 1412 CG LEU A 122 2.062 -8.704 -17.130 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.278 -9.402 -17.741 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.209 -7.187 -17.298 1.00 0.00 C ATOM 0 H LEU A 122 -1.568 -10.693 -17.862 1.00 0.00 H new ATOM 0 HA LEU A 122 1.344 -11.246 -17.803 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.897 -9.050 -18.919 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.055 -8.542 -17.538 1.00 0.00 H new ATOM 0 HG LEU A 122 1.999 -8.955 -16.071 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.182 -9.069 -17.232 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.174 -10.481 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.346 -9.154 -18.800 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.116 -6.851 -16.794 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.271 -6.943 -18.358 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.345 -6.687 -16.861 1.00 0.00 H new ATOM 1426 N GLU A 123 1.173 -11.496 -15.348 1.00 0.00 N ATOM 1427 CA GLU A 123 1.077 -11.698 -13.909 1.00 0.00 C ATOM 1428 C GLU A 123 2.320 -11.139 -13.241 1.00 0.00 C ATOM 1429 O GLU A 123 3.439 -11.449 -13.646 1.00 0.00 O ATOM 1430 CB GLU A 123 0.950 -13.194 -13.607 1.00 0.00 C ATOM 1431 CG GLU A 123 0.840 -13.418 -12.099 1.00 0.00 C ATOM 1432 CD GLU A 123 -0.462 -12.827 -11.572 1.00 0.00 C ATOM 1433 OE1 GLU A 123 -1.469 -13.515 -11.631 1.00 0.00 O ATOM 1434 OE2 GLU A 123 -0.431 -11.696 -11.115 1.00 0.00 O ATOM 0 H GLU A 123 1.976 -11.947 -15.786 1.00 0.00 H new ATOM 0 HA GLU A 123 0.197 -11.182 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.072 -13.601 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.816 -13.727 -13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.879 -14.485 -11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.688 -12.957 -11.593 1.00 0.00 H new ATOM 1441 N VAL A 124 2.120 -10.284 -12.247 1.00 0.00 N ATOM 1442 CA VAL A 124 3.250 -9.661 -11.571 1.00 0.00 C ATOM 1443 C VAL A 124 3.157 -9.782 -10.055 1.00 0.00 C ATOM 1444 O VAL A 124 2.189 -9.322 -9.447 1.00 0.00 O ATOM 1445 CB VAL A 124 3.282 -8.171 -11.926 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.558 -7.533 -11.372 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.238 -7.990 -13.447 1.00 0.00 C ATOM 0 H VAL A 124 1.203 -10.009 -11.895 1.00 0.00 H new ATOM 0 HA VAL A 124 4.152 -10.176 -11.902 1.00 0.00 H new ATOM 0 HB VAL A 124 2.412 -7.686 -11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.576 -6.473 -11.627 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.580 -7.645 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.429 -8.025 -11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.261 -6.927 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.100 -8.483 -13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.322 -8.431 -13.840 1.00 0.00 H new ATOM 1457 N GLN A 125 4.185 -10.369 -9.443 1.00 0.00 N ATOM 1458 CA GLN A 125 4.214 -10.499 -7.995 1.00 0.00 C ATOM 1459 C GLN A 125 5.236 -9.517 -7.426 1.00 0.00 C ATOM 1460 O GLN A 125 6.381 -9.456 -7.891 1.00 0.00 O ATOM 1461 CB GLN A 125 4.578 -11.933 -7.592 1.00 0.00 C ATOM 1462 CG GLN A 125 3.442 -12.878 -7.985 1.00 0.00 C ATOM 1463 CD GLN A 125 3.962 -13.975 -8.908 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.490 -14.062 -10.123 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.820 -14.770 -8.517 1.00 0.00 N flip ATOM 0 H GLN A 125 4.997 -10.756 -9.924 1.00 0.00 H new ATOM 0 HA GLN A 125 3.226 -10.273 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.503 -12.236 -8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.754 -11.986 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.004 -13.322 -7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.650 -12.319 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.186 -14.699 -7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.163 -15.498 -9.143 1.00 0.00 H new ATOM 1474 N TYR A 126 4.806 -8.731 -6.436 1.00 0.00 N ATOM 1475 CA TYR A 126 5.686 -7.734 -5.836 1.00 0.00 C ATOM 1476 C TYR A 126 5.287 -7.407 -4.398 1.00 0.00 C ATOM 1477 O TYR A 126 4.247 -7.844 -3.905 1.00 0.00 O ATOM 1478 CB TYR A 126 5.672 -6.458 -6.677 1.00 0.00 C ATOM 1479 CG TYR A 126 4.364 -5.718 -6.496 1.00 0.00 C ATOM 1480 CD1 TYR A 126 4.215 -4.789 -5.458 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.302 -5.954 -7.380 1.00 0.00 C ATOM 1482 CE1 TYR A 126 3.009 -4.097 -5.302 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.094 -5.258 -7.227 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.948 -4.331 -6.186 1.00 0.00 C ATOM 1485 OH TYR A 126 0.761 -3.639 -6.032 1.00 0.00 O ATOM 0 H TYR A 126 3.867 -8.766 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 126 6.691 -8.155 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.503 -5.815 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.813 -6.707 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 126 5.033 -4.607 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.414 -6.672 -8.179 1.00 0.00 H new ATOM 0 HE1 TYR A 126 2.896 -3.382 -4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.277 -5.436 -7.911 1.00 0.00 H new ATOM 0 HH TYR A 126 0.128 -3.917 -6.727 1.00 0.00 H new ATOM 1495 N ASP A 127 6.140 -6.633 -3.733 1.00 0.00 N ATOM 1496 CA ASP A 127 5.898 -6.242 -2.349 1.00 0.00 C ATOM 1497 C ASP A 127 6.034 -4.731 -2.187 1.00 0.00 C ATOM 1498 O ASP A 127 6.631 -4.059 -3.026 1.00 0.00 O ATOM 1499 CB ASP A 127 6.911 -6.928 -1.439 1.00 0.00 C ATOM 1500 CG ASP A 127 6.641 -8.425 -1.391 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.547 -8.821 -1.758 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.533 -9.154 -0.985 1.00 0.00 O ATOM 0 H ASP A 127 7.004 -6.265 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 127 4.886 -6.542 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.922 -6.744 -1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.853 -6.508 -0.435 1.00 0.00 H new ATOM 1507 N CYS A 128 5.487 -4.198 -1.102 1.00 0.00 N ATOM 1508 CA CYS A 128 5.576 -2.767 -0.852 1.00 0.00 C ATOM 1509 C CYS A 128 6.476 -2.496 0.352 1.00 0.00 C ATOM 1510 O CYS A 128 6.288 -3.072 1.423 1.00 0.00 O ATOM 1511 CB CYS A 128 4.182 -2.192 -0.610 1.00 0.00 C ATOM 1512 SG CYS A 128 3.147 -2.517 -2.058 1.00 0.00 S ATOM 0 H CYS A 128 4.984 -4.727 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 128 6.010 -2.282 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.738 -2.643 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.245 -1.120 -0.426 1.00 0.00 H new ATOM 1517 N VAL A 129 7.459 -1.620 0.163 1.00 0.00 N ATOM 1518 CA VAL A 129 8.389 -1.286 1.237 1.00 0.00 C ATOM 1519 C VAL A 129 8.548 0.230 1.341 1.00 0.00 C ATOM 1520 O VAL A 129 8.343 0.936 0.357 1.00 0.00 O ATOM 1521 CB VAL A 129 9.738 -1.957 0.972 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.528 -3.470 0.930 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.295 -1.480 -0.375 1.00 0.00 C ATOM 0 H VAL A 129 7.631 -1.132 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 129 7.996 -1.652 2.185 1.00 0.00 H new ATOM 0 HB VAL A 129 10.444 -1.698 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.481 -3.965 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.126 -3.808 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 129 8.827 -3.718 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.256 -1.959 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.598 -1.743 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.428 -0.398 -0.351 1.00 0.00 H new ATOM 1533 N PRO A 130 8.884 0.749 2.498 1.00 0.00 N ATOM 1534 CA PRO A 130 9.028 2.218 2.679 1.00 0.00 C ATOM 1535 C PRO A 130 10.013 2.825 1.689 1.00 0.00 C ATOM 1536 O PRO A 130 11.033 2.220 1.359 1.00 0.00 O ATOM 1537 CB PRO A 130 9.526 2.396 4.115 1.00 0.00 C ATOM 1538 CG PRO A 130 9.322 1.091 4.808 1.00 0.00 C ATOM 1539 CD PRO A 130 9.177 0.009 3.737 1.00 0.00 C ATOM 0 HA PRO A 130 8.082 2.729 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.578 2.679 4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.976 3.191 4.619 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.166 0.870 5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.432 1.128 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.090 -0.579 3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.374 -0.687 3.982 1.00 0.00 H new ATOM 1547 N TYR A 131 9.699 4.028 1.225 1.00 0.00 N ATOM 1548 CA TYR A 131 10.570 4.707 0.275 1.00 0.00 C ATOM 1549 C TYR A 131 11.785 5.280 0.995 1.00 0.00 C ATOM 1550 O TYR A 131 12.189 6.419 0.756 1.00 0.00 O ATOM 1551 CB TYR A 131 9.804 5.811 -0.466 1.00 0.00 C ATOM 1552 CG TYR A 131 10.639 6.365 -1.608 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.281 5.501 -2.522 1.00 0.00 C ATOM 1554 CD2 TYR A 131 10.770 7.752 -1.760 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.044 6.031 -3.570 1.00 0.00 C ATOM 1556 CE2 TYR A 131 11.533 8.274 -2.811 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.170 7.416 -3.712 1.00 0.00 C ATOM 1558 OH TYR A 131 12.921 7.937 -4.743 1.00 0.00 O ATOM 0 H TYR A 131 8.861 4.547 1.486 1.00 0.00 H new ATOM 0 HA TYR A 131 10.915 3.983 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 131 8.866 5.413 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.548 6.612 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.184 4.431 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 131 10.282 8.419 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.535 5.370 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 131 11.630 9.343 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 131 12.904 8.916 -4.698 1.00 0.00 H new ATOM 1568 N LYS A 132 12.366 4.468 1.877 1.00 0.00 N ATOM 1569 CA LYS A 132 13.545 4.882 2.634 1.00 0.00 C ATOM 1570 C LYS A 132 14.555 3.732 2.728 1.00 0.00 C ATOM 1571 O LYS A 132 15.615 3.790 2.107 1.00 0.00 O ATOM 1572 CB LYS A 132 13.141 5.368 4.038 1.00 0.00 C ATOM 1573 CG LYS A 132 12.360 6.685 3.921 1.00 0.00 C ATOM 1574 CD LYS A 132 12.026 7.221 5.320 1.00 0.00 C ATOM 1575 CE LYS A 132 10.983 8.340 5.215 1.00 0.00 C ATOM 1576 NZ LYS A 132 11.380 9.308 4.155 1.00 0.00 N ATOM 0 H LYS A 132 12.041 3.524 2.084 1.00 0.00 H new ATOM 0 HA LYS A 132 14.019 5.711 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.530 4.614 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 132 14.029 5.513 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.949 7.420 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.442 6.525 3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 132 11.645 6.415 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.929 7.598 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 132 10.005 7.917 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.891 8.854 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 10.860 10.199 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 12.402 9.491 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 11.155 8.911 3.220 1.00 0.00 H new ATOM 1590 N VAL A 133 14.238 2.683 3.491 1.00 0.00 N ATOM 1591 CA VAL A 133 15.168 1.551 3.615 1.00 0.00 C ATOM 1592 C VAL A 133 14.968 0.565 2.467 1.00 0.00 C ATOM 1593 O VAL A 133 13.835 0.220 2.125 1.00 0.00 O ATOM 1594 CB VAL A 133 14.974 0.828 4.947 1.00 0.00 C ATOM 1595 CG1 VAL A 133 16.164 -0.110 5.191 1.00 0.00 C ATOM 1596 CG2 VAL A 133 14.894 1.860 6.075 1.00 0.00 C ATOM 0 H VAL A 133 13.371 2.590 4.020 1.00 0.00 H new ATOM 0 HA VAL A 133 16.182 1.949 3.575 1.00 0.00 H new ATOM 0 HB VAL A 133 14.052 0.247 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 133 16.030 -0.628 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 133 16.223 -0.840 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 133 17.085 0.472 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 133 14.756 1.348 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 133 15.817 2.439 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 133 14.052 2.529 5.897 1.00 0.00 H new ATOM 1606 N GLU A 134 16.078 0.129 1.867 1.00 0.00 N ATOM 1607 CA GLU A 134 16.019 -0.797 0.742 1.00 0.00 C ATOM 1608 C GLU A 134 14.936 -0.356 -0.235 1.00 0.00 C ATOM 1609 O GLU A 134 14.741 0.841 -0.374 1.00 0.00 O ATOM 1610 CB GLU A 134 15.729 -2.225 1.215 1.00 0.00 C ATOM 1611 CG GLU A 134 16.922 -2.780 2.000 1.00 0.00 C ATOM 1612 CD GLU A 134 16.563 -4.150 2.574 1.00 0.00 C ATOM 1613 OE1 GLU A 134 15.403 -4.518 2.488 1.00 0.00 O ATOM 1614 OE2 GLU A 134 17.452 -4.808 3.090 1.00 0.00 O ATOM 1615 OXT GLU A 134 14.312 -1.220 -0.826 1.00 0.00 O ATOM 0 H GLU A 134 17.022 0.402 2.142 1.00 0.00 H new ATOM 0 HA GLU A 134 16.990 -0.788 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 134 14.837 -2.233 1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 134 15.521 -2.864 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 134 17.792 -2.864 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 134 17.191 -2.096 2.805 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.719 1.022 -6.214 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.537 0.588 -7.406 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.663 -0.318 -6.957 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.516 0.392 -5.944 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.652 0.898 -4.803 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.457 1.759 -3.829 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.068 -0.242 -9.633 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.152 -0.996 -10.565 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.686 -0.125 -8.365 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.461 -0.704 -8.091 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.501 -0.513 -5.426 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.550 1.702 -5.298 1.00 0.00 O HETATM 1635 O6 NAG A 135 19.406 0.964 -3.094 1.00 0.00 O HETATM 1636 O7 NAG A 135 17.121 0.230 -10.059 1.00 0.00 O HETATM 0 HO6 NAG A 135 19.908 1.539 -2.480 1.00 0.00 H new HETATM 0 HO4 NAG A 135 19.672 -0.306 -4.484 1.00 0.00 H new HETATM 0 HO3 NAG A 135 18.274 -0.103 -8.842 1.00 0.00 H new HETATM 0 HN2 NAG A 135 14.802 -0.531 -8.059 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.027 -2.017 -10.205 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.181 -0.502 -10.599 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.585 -1.014 -11.565 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.982 2.541 -4.378 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.780 2.257 -3.135 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.273 0.015 -4.289 1.00 0.00 H new HETATM 0 H4 NAG A 135 19.010 1.236 -6.425 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.242 -1.213 -6.500 1.00 0.00 H new HETATM 0 H2 NAG A 135 16.956 1.472 -7.886 1.00 0.00 H new