USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1063 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS : no HE2:sc= -0.257 K(o=-0.38,f=-2.4) USER MOD Set 1.2: B 164 HIS : no HE2:sc= -0.126 K(o=-0.38,f=-5.4) USER MOD Single : A 5 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.5) USER MOD Single : A 8 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.8) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 0.166 (180deg=0.0273) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.505 F(o=-1.5,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= 0.594 (180deg=0.155) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 1.17 (180deg=0.509) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.158 F(o=-1,f=-0.16) USER MOD Single : A 52 THR OG1 : rot -73:sc= 0.521 USER MOD Single : A 55 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.7) USER MOD Single : A 57 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.48) USER MOD Single : A 60 TYR OH : rot -44:sc= 0.735 USER MOD Single : A 66 HIS : no HE2:sc= -0.233 K(o=-0.23,f=-0.92) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc=-0.00148 USER MOD Single : B 105 GLN : amide:sc= -1.99 X(o=-2,f=-2) USER MOD Single : B 108 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.22) USER MOD Single : B 116 LYS NZ :NH3+ 171:sc= 0.391 (180deg=0.174) USER MOD Single : B 127 SER OG : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 TYR OH : rot 180:sc= 0 USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 142 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.079) USER MOD Single : B 143 LYS NZ :NH3+ 171:sc= -0.0124 (180deg=-0.115) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 LYS NZ :NH3+ 137:sc= 0.788 (180deg=0.0482) USER MOD Single : B 150 GLN :FLIP amide:sc= -0.0421 F(o=-0.82,f=-0.042) USER MOD Single : B 152 THR OG1 : rot -81:sc= 0.293 USER MOD Single : B 155 ASN :FLIP amide:sc= -0.55 F(o=-1.4,f=-0.55) USER MOD Single : B 157 HIS : no HE2:sc= 0.136 K(o=0.14,f=-0.97) USER MOD Single : B 160 TYR OH : rot 180:sc= 0 USER MOD Single : B 166 HIS : no HE2:sc= 0.231 K(o=0.23,f=-1.1) USER MOD Single : B 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 5 8.310 -13.545 -5.792 1.00 3.20 N ATOM 69 CA GLN A 5 7.625 -13.160 -4.538 1.00 41.24 C ATOM 70 C GLN A 5 7.114 -11.715 -4.629 1.00 41.32 C ATOM 71 O GLN A 5 6.288 -11.306 -3.842 1.00 24.45 O ATOM 72 CB GLN A 5 8.557 -13.350 -3.291 1.00 63.24 C ATOM 73 CG GLN A 5 10.058 -12.982 -3.458 1.00 22.41 C ATOM 74 CD GLN A 5 10.345 -11.587 -4.036 1.00 30.34 C ATOM 75 OE1 GLN A 5 10.552 -11.427 -5.238 1.00 42.24 O ATOM 76 NE2 GLN A 5 10.332 -10.568 -3.199 1.00 25.44 N ATOM 0 HA GLN A 5 6.769 -13.822 -4.406 1.00 41.24 H new ATOM 0 HB2 GLN A 5 8.153 -12.753 -2.474 1.00 63.24 H new ATOM 0 HB3 GLN A 5 8.498 -14.394 -2.982 1.00 63.24 H new ATOM 0 HG2 GLN A 5 10.542 -13.057 -2.484 1.00 22.41 H new ATOM 0 HG3 GLN A 5 10.525 -13.725 -4.104 1.00 22.41 H new ATOM 0 HE21 GLN A 5 10.158 -10.726 -2.206 1.00 25.44 H new ATOM 0 HE22 GLN A 5 10.496 -9.622 -3.544 1.00 25.44 H new ATOM 85 N LEU A 6 7.648 -10.953 -5.586 1.00 3.21 N ATOM 86 CA LEU A 6 7.331 -9.528 -5.756 1.00 10.32 C ATOM 87 C LEU A 6 6.106 -9.388 -6.669 1.00 12.45 C ATOM 88 O LEU A 6 6.085 -9.942 -7.771 1.00 60.25 O ATOM 89 CB LEU A 6 8.557 -8.809 -6.345 1.00 21.43 C ATOM 90 CG LEU A 6 8.450 -7.272 -6.518 1.00 63.31 C ATOM 91 CD1 LEU A 6 8.316 -6.548 -5.163 1.00 21.22 C ATOM 92 CD2 LEU A 6 9.643 -6.749 -7.324 1.00 0.51 C ATOM 0 H LEU A 6 8.317 -11.307 -6.270 1.00 3.21 H new ATOM 0 HA LEU A 6 7.093 -9.070 -4.796 1.00 10.32 H new ATOM 0 HB2 LEU A 6 9.414 -9.020 -5.706 1.00 21.43 H new ATOM 0 HB3 LEU A 6 8.771 -9.246 -7.320 1.00 21.43 H new ATOM 0 HG LEU A 6 7.538 -7.056 -7.074 1.00 63.31 H new ATOM 0 HD11 LEU A 6 8.244 -5.473 -5.330 1.00 21.22 H new ATOM 0 HD12 LEU A 6 7.419 -6.897 -4.651 1.00 21.22 H new ATOM 0 HD13 LEU A 6 9.190 -6.762 -4.548 1.00 21.22 H new ATOM 0 HD21 LEU A 6 9.558 -5.668 -7.440 1.00 0.51 H new ATOM 0 HD22 LEU A 6 10.569 -6.986 -6.799 1.00 0.51 H new ATOM 0 HD23 LEU A 6 9.652 -7.220 -8.307 1.00 0.51 H new ATOM 104 N LEU A 7 5.097 -8.647 -6.201 1.00 52.12 N ATOM 105 CA LEU A 7 3.766 -8.623 -6.822 1.00 41.32 C ATOM 106 C LEU A 7 2.965 -7.391 -6.375 1.00 1.42 C ATOM 107 O LEU A 7 3.483 -6.528 -5.662 1.00 3.30 O ATOM 108 CB LEU A 7 3.008 -9.981 -6.545 1.00 31.24 C ATOM 109 CG LEU A 7 2.541 -10.354 -5.067 1.00 13.22 C ATOM 110 CD1 LEU A 7 3.501 -9.880 -3.959 1.00 70.22 C ATOM 111 CD2 LEU A 7 1.104 -9.900 -4.766 1.00 22.33 C ATOM 0 H LEU A 7 5.178 -8.046 -5.381 1.00 52.12 H new ATOM 0 HA LEU A 7 3.882 -8.533 -7.902 1.00 41.32 H new ATOM 0 HB2 LEU A 7 2.119 -9.989 -7.176 1.00 31.24 H new ATOM 0 HB3 LEU A 7 3.653 -10.788 -6.893 1.00 31.24 H new ATOM 0 HG LEU A 7 2.566 -11.444 -5.051 1.00 13.22 H new ATOM 0 HD11 LEU A 7 3.108 -10.175 -2.986 1.00 70.22 H new ATOM 0 HD12 LEU A 7 4.481 -10.334 -4.107 1.00 70.22 H new ATOM 0 HD13 LEU A 7 3.595 -8.795 -3.999 1.00 70.22 H new ATOM 0 HD21 LEU A 7 0.840 -10.180 -3.746 1.00 22.33 H new ATOM 0 HD22 LEU A 7 1.034 -8.818 -4.874 1.00 22.33 H new ATOM 0 HD23 LEU A 7 0.417 -10.380 -5.463 1.00 22.33 H new ATOM 123 N HIS A 8 1.707 -7.336 -6.822 1.00 33.41 N ATOM 124 CA HIS A 8 0.777 -6.236 -6.533 1.00 22.22 C ATOM 125 C HIS A 8 0.182 -6.403 -5.122 1.00 20.04 C ATOM 126 O HIS A 8 -0.682 -7.264 -4.920 1.00 2.14 O ATOM 127 CB HIS A 8 -0.363 -6.228 -7.585 1.00 60.41 C ATOM 128 CG HIS A 8 0.066 -5.997 -9.012 1.00 43.44 C ATOM 129 ND1 HIS A 8 -0.809 -5.587 -9.996 1.00 0.20 N ATOM 130 CD2 HIS A 8 1.249 -6.183 -9.632 1.00 42.42 C ATOM 131 CE1 HIS A 8 -0.180 -5.536 -11.152 1.00 64.01 C ATOM 132 NE2 HIS A 8 1.075 -5.893 -10.957 1.00 10.20 N ATOM 0 H HIS A 8 1.298 -8.066 -7.405 1.00 33.41 H new ATOM 0 HA HIS A 8 1.318 -5.291 -6.579 1.00 22.22 H new ATOM 0 HB2 HIS A 8 -0.888 -7.182 -7.533 1.00 60.41 H new ATOM 0 HB3 HIS A 8 -1.080 -5.454 -7.311 1.00 60.41 H new ATOM 0 HD2 HIS A 8 2.169 -6.504 -9.166 1.00 42.42 H new ATOM 0 HE1 HIS A 8 -0.617 -5.251 -12.098 1.00 64.01 H new ATOM 0 HE2 HIS A 8 1.797 -5.944 -11.676 1.00 10.20 H new ATOM 141 N ILE A 9 0.653 -5.599 -4.152 1.00 30.43 N ATOM 142 CA ILE A 9 0.200 -5.700 -2.746 1.00 11.21 C ATOM 143 C ILE A 9 -1.233 -5.155 -2.593 1.00 52.53 C ATOM 144 O ILE A 9 -1.664 -4.278 -3.347 1.00 34.32 O ATOM 145 CB ILE A 9 1.169 -4.957 -1.751 1.00 21.11 C ATOM 146 CG1 ILE A 9 1.142 -3.408 -1.981 1.00 61.34 C ATOM 147 CG2 ILE A 9 2.605 -5.526 -1.871 1.00 74.22 C ATOM 148 CD1 ILE A 9 2.069 -2.599 -1.088 1.00 30.44 C ATOM 0 H ILE A 9 1.348 -4.870 -4.313 1.00 30.43 H new ATOM 0 HA ILE A 9 0.211 -6.759 -2.487 1.00 11.21 H new ATOM 0 HB ILE A 9 0.819 -5.135 -0.734 1.00 21.11 H new ATOM 0 HG12 ILE A 9 1.401 -3.208 -3.021 1.00 61.34 H new ATOM 0 HG13 ILE A 9 0.122 -3.054 -1.833 1.00 61.34 H new ATOM 0 HG21 ILE A 9 3.263 -5.003 -1.177 1.00 74.22 H new ATOM 0 HG22 ILE A 9 2.596 -6.589 -1.631 1.00 74.22 H new ATOM 0 HG23 ILE A 9 2.967 -5.387 -2.890 1.00 74.22 H new ATOM 0 HD11 ILE A 9 1.973 -1.540 -1.328 1.00 30.44 H new ATOM 0 HD12 ILE A 9 1.800 -2.760 -0.044 1.00 30.44 H new ATOM 0 HD13 ILE A 9 3.099 -2.916 -1.250 1.00 30.44 H new ATOM 160 N VAL A 10 -1.937 -5.665 -1.587 1.00 53.23 N ATOM 161 CA VAL A 10 -3.377 -5.427 -1.379 1.00 31.44 C ATOM 162 C VAL A 10 -3.613 -4.455 -0.212 1.00 44.24 C ATOM 163 O VAL A 10 -3.036 -4.603 0.873 1.00 62.04 O ATOM 164 CB VAL A 10 -4.147 -6.793 -1.151 1.00 74.35 C ATOM 165 CG1 VAL A 10 -4.535 -7.430 -2.496 1.00 43.11 C ATOM 166 CG2 VAL A 10 -3.298 -7.786 -0.305 1.00 64.12 C ATOM 0 H VAL A 10 -1.523 -6.268 -0.876 1.00 53.23 H new ATOM 0 HA VAL A 10 -3.776 -4.964 -2.281 1.00 31.44 H new ATOM 0 HB VAL A 10 -5.058 -6.571 -0.596 1.00 74.35 H new ATOM 0 HG11 VAL A 10 -5.063 -8.367 -2.316 1.00 43.11 H new ATOM 0 HG12 VAL A 10 -5.183 -6.749 -3.048 1.00 43.11 H new ATOM 0 HG13 VAL A 10 -3.635 -7.627 -3.079 1.00 43.11 H new ATOM 0 HG21 VAL A 10 -3.854 -8.713 -0.166 1.00 64.12 H new ATOM 0 HG22 VAL A 10 -2.363 -7.998 -0.823 1.00 64.12 H new ATOM 0 HG23 VAL A 10 -3.082 -7.343 0.667 1.00 64.12 H new ATOM 176 N VAL A 11 -4.469 -3.454 -0.469 1.00 3.52 N ATOM 177 CA VAL A 11 -4.840 -2.395 0.494 1.00 54.31 C ATOM 178 C VAL A 11 -6.362 -2.126 0.402 1.00 74.43 C ATOM 179 O VAL A 11 -7.040 -2.626 -0.506 1.00 74.42 O ATOM 180 CB VAL A 11 -4.051 -1.047 0.226 1.00 72.43 C ATOM 181 CG1 VAL A 11 -2.516 -1.227 0.358 1.00 31.42 C ATOM 182 CG2 VAL A 11 -4.429 -0.442 -1.149 1.00 51.43 C ATOM 0 H VAL A 11 -4.935 -3.352 -1.371 1.00 3.52 H new ATOM 0 HA VAL A 11 -4.574 -2.744 1.492 1.00 54.31 H new ATOM 0 HB VAL A 11 -4.354 -0.343 1.001 1.00 72.43 H new ATOM 0 HG11 VAL A 11 -2.020 -0.276 0.165 1.00 31.42 H new ATOM 0 HG12 VAL A 11 -2.275 -1.564 1.366 1.00 31.42 H new ATOM 0 HG13 VAL A 11 -2.173 -1.968 -0.364 1.00 31.42 H new ATOM 0 HG21 VAL A 11 -3.872 0.482 -1.305 1.00 51.43 H new ATOM 0 HG22 VAL A 11 -4.183 -1.152 -1.939 1.00 51.43 H new ATOM 0 HG23 VAL A 11 -5.498 -0.230 -1.172 1.00 51.43 H new ATOM 192 N GLY A 12 -6.897 -1.362 1.359 1.00 52.11 N ATOM 193 CA GLY A 12 -8.277 -0.876 1.274 1.00 11.14 C ATOM 194 C GLY A 12 -8.675 -0.074 2.490 1.00 63.12 C ATOM 195 O GLY A 12 -7.862 0.693 3.012 1.00 71.11 O ATOM 0 H GLY A 12 -6.398 -1.068 2.198 1.00 52.11 H new ATOM 0 HA2 GLY A 12 -8.389 -0.260 0.382 1.00 11.14 H new ATOM 0 HA3 GLY A 12 -8.953 -1.724 1.163 1.00 11.14 H new ATOM 199 N GLY A 13 -9.927 -0.240 2.930 1.00 22.42 N ATOM 200 CA GLY A 13 -10.446 0.446 4.112 1.00 34.14 C ATOM 201 C GLY A 13 -11.694 1.241 3.788 1.00 1.22 C ATOM 202 O GLY A 13 -12.333 0.984 2.762 1.00 51.22 O ATOM 0 H GLY A 13 -10.605 -0.852 2.476 1.00 22.42 H new ATOM 0 HA2 GLY A 13 -10.670 -0.285 4.889 1.00 34.14 H new ATOM 0 HA3 GLY A 13 -9.682 1.113 4.512 1.00 34.14 H new ATOM 206 N GLU A 14 -12.042 2.204 4.660 1.00 44.23 N ATOM 207 CA GLU A 14 -13.229 3.061 4.487 1.00 42.52 C ATOM 208 C GLU A 14 -13.001 4.138 3.420 1.00 24.53 C ATOM 209 O GLU A 14 -11.948 4.784 3.373 1.00 42.34 O ATOM 210 CB GLU A 14 -13.635 3.724 5.826 1.00 22.01 C ATOM 211 CG GLU A 14 -14.184 2.740 6.866 1.00 34.55 C ATOM 212 CD GLU A 14 -14.647 3.437 8.153 1.00 51.14 C ATOM 213 OE1 GLU A 14 -15.784 3.967 8.178 1.00 53.14 O ATOM 214 OE2 GLU A 14 -13.879 3.475 9.139 1.00 54.44 O ATOM 0 H GLU A 14 -11.508 2.410 5.504 1.00 44.23 H new ATOM 0 HA GLU A 14 -14.041 2.416 4.151 1.00 42.52 H new ATOM 0 HB2 GLU A 14 -12.768 4.234 6.245 1.00 22.01 H new ATOM 0 HB3 GLU A 14 -14.388 4.487 5.629 1.00 22.01 H new ATOM 0 HG2 GLU A 14 -15.020 2.190 6.434 1.00 34.55 H new ATOM 0 HG3 GLU A 14 -13.414 2.009 7.110 1.00 34.55 H new ATOM 221 N LEU A 15 -14.019 4.295 2.572 1.00 44.23 N ATOM 222 CA LEU A 15 -14.115 5.329 1.526 1.00 1.12 C ATOM 223 C LEU A 15 -15.243 6.322 1.923 1.00 0.43 C ATOM 224 O LEU A 15 -16.145 5.962 2.683 1.00 35.13 O ATOM 225 CB LEU A 15 -14.420 4.670 0.137 1.00 15.15 C ATOM 226 CG LEU A 15 -13.248 3.924 -0.609 1.00 41.21 C ATOM 227 CD1 LEU A 15 -12.106 4.874 -0.974 1.00 34.23 C ATOM 228 CD2 LEU A 15 -12.709 2.717 0.175 1.00 41.21 C ATOM 0 H LEU A 15 -14.835 3.683 2.591 1.00 44.23 H new ATOM 0 HA LEU A 15 -13.169 5.863 1.439 1.00 1.12 H new ATOM 0 HB2 LEU A 15 -15.232 3.956 0.278 1.00 15.15 H new ATOM 0 HB3 LEU A 15 -14.793 5.450 -0.526 1.00 15.15 H new ATOM 0 HG LEU A 15 -13.686 3.542 -1.531 1.00 41.21 H new ATOM 0 HD11 LEU A 15 -11.320 4.319 -1.486 1.00 34.23 H new ATOM 0 HD12 LEU A 15 -12.482 5.659 -1.630 1.00 34.23 H new ATOM 0 HD13 LEU A 15 -11.701 5.322 -0.066 1.00 34.23 H new ATOM 0 HD21 LEU A 15 -11.905 2.246 -0.390 1.00 41.21 H new ATOM 0 HD22 LEU A 15 -12.327 3.051 1.140 1.00 41.21 H new ATOM 0 HD23 LEU A 15 -13.512 1.997 0.332 1.00 41.21 H new ATOM 240 N LYS A 16 -15.170 7.577 1.441 1.00 2.11 N ATOM 241 CA LYS A 16 -16.220 8.599 1.683 1.00 64.24 C ATOM 242 C LYS A 16 -17.543 8.196 1.008 1.00 55.30 C ATOM 243 O LYS A 16 -18.626 8.377 1.575 1.00 40.53 O ATOM 244 CB LYS A 16 -15.788 9.981 1.143 1.00 35.35 C ATOM 245 CG LYS A 16 -14.510 10.562 1.767 1.00 44.35 C ATOM 246 CD LYS A 16 -14.161 11.940 1.166 1.00 71.50 C ATOM 247 CE LYS A 16 -12.827 12.490 1.670 1.00 34.34 C ATOM 248 NZ LYS A 16 -12.458 13.769 1.004 1.00 13.12 N ATOM 0 H LYS A 16 -14.390 7.915 0.877 1.00 2.11 H new ATOM 0 HA LYS A 16 -16.364 8.662 2.762 1.00 64.24 H new ATOM 0 HB2 LYS A 16 -15.643 9.902 0.066 1.00 35.35 H new ATOM 0 HB3 LYS A 16 -16.604 10.686 1.304 1.00 35.35 H new ATOM 0 HG2 LYS A 16 -14.641 10.657 2.845 1.00 44.35 H new ATOM 0 HG3 LYS A 16 -13.680 9.874 1.606 1.00 44.35 H new ATOM 0 HD2 LYS A 16 -14.127 11.858 0.080 1.00 71.50 H new ATOM 0 HD3 LYS A 16 -14.954 12.647 1.408 1.00 71.50 H new ATOM 0 HE2 LYS A 16 -12.884 12.647 2.747 1.00 34.34 H new ATOM 0 HE3 LYS A 16 -12.043 11.753 1.496 1.00 34.34 H new ATOM 0 HZ1 LYS A 16 -11.721 14.249 1.558 1.00 13.12 H new ATOM 0 HZ2 LYS A 16 -12.099 13.572 0.048 1.00 13.12 H new ATOM 0 HZ3 LYS A 16 -13.296 14.381 0.940 1.00 13.12 H new ATOM 262 N ASP A 17 -17.428 7.640 -0.206 1.00 71.32 N ATOM 263 CA ASP A 17 -18.573 7.196 -1.024 1.00 41.23 C ATOM 264 C ASP A 17 -18.418 5.690 -1.329 1.00 44.32 C ATOM 265 O ASP A 17 -17.318 5.146 -1.199 1.00 25.42 O ATOM 266 CB ASP A 17 -18.628 8.039 -2.326 1.00 4.31 C ATOM 267 CG ASP A 17 -19.884 7.795 -3.185 1.00 65.35 C ATOM 268 OD1 ASP A 17 -20.914 8.455 -2.954 1.00 43.00 O ATOM 269 OD2 ASP A 17 -19.851 6.946 -4.099 1.00 31.42 O ATOM 0 H ASP A 17 -16.526 7.482 -0.656 1.00 71.32 H new ATOM 0 HA ASP A 17 -19.510 7.342 -0.487 1.00 41.23 H new ATOM 0 HB2 ASP A 17 -18.581 9.096 -2.063 1.00 4.31 H new ATOM 0 HB3 ASP A 17 -17.744 7.820 -2.925 1.00 4.31 H new ATOM 274 N VAL A 18 -19.522 5.030 -1.718 1.00 2.44 N ATOM 275 CA VAL A 18 -19.525 3.593 -2.053 1.00 41.10 C ATOM 276 C VAL A 18 -18.733 3.313 -3.359 1.00 14.30 C ATOM 277 O VAL A 18 -17.906 2.399 -3.407 1.00 31.55 O ATOM 278 CB VAL A 18 -20.998 3.030 -2.144 1.00 20.45 C ATOM 279 CG1 VAL A 18 -21.670 3.022 -0.748 1.00 74.52 C ATOM 280 CG2 VAL A 18 -21.866 3.821 -3.160 1.00 1.51 C ATOM 0 H VAL A 18 -20.435 5.475 -1.809 1.00 2.44 H new ATOM 0 HA VAL A 18 -19.019 3.066 -1.244 1.00 41.10 H new ATOM 0 HB VAL A 18 -20.926 2.005 -2.507 1.00 20.45 H new ATOM 0 HG11 VAL A 18 -22.684 2.631 -0.834 1.00 74.52 H new ATOM 0 HG12 VAL A 18 -21.094 2.392 -0.071 1.00 74.52 H new ATOM 0 HG13 VAL A 18 -21.706 4.038 -0.356 1.00 74.52 H new ATOM 0 HG21 VAL A 18 -22.870 3.398 -3.188 1.00 1.51 H new ATOM 0 HG22 VAL A 18 -21.921 4.866 -2.855 1.00 1.51 H new ATOM 0 HG23 VAL A 18 -21.417 3.755 -4.151 1.00 1.51 H new ATOM 290 N ALA A 19 -18.991 4.117 -4.401 1.00 70.41 N ATOM 291 CA ALA A 19 -18.284 4.029 -5.695 1.00 24.13 C ATOM 292 C ALA A 19 -17.034 4.927 -5.695 1.00 71.24 C ATOM 293 O ALA A 19 -16.046 4.645 -6.386 1.00 24.13 O ATOM 294 CB ALA A 19 -19.233 4.442 -6.829 1.00 61.52 C ATOM 0 H ALA A 19 -19.699 4.851 -4.373 1.00 70.41 H new ATOM 0 HA ALA A 19 -17.963 2.999 -5.850 1.00 24.13 H new ATOM 0 HB1 ALA A 19 -18.710 4.377 -7.783 1.00 61.52 H new ATOM 0 HB2 ALA A 19 -20.096 3.776 -6.842 1.00 61.52 H new ATOM 0 HB3 ALA A 19 -19.568 5.467 -6.668 1.00 61.52 H new ATOM 300 N GLY A 20 -17.109 6.009 -4.899 1.00 74.10 N ATOM 301 CA GLY A 20 -16.084 7.050 -4.855 1.00 72.54 C ATOM 302 C GLY A 20 -14.799 6.587 -4.191 1.00 41.00 C ATOM 303 O GLY A 20 -14.773 6.373 -2.970 1.00 34.12 O ATOM 0 H GLY A 20 -17.891 6.180 -4.267 1.00 74.10 H new ATOM 0 HA2 GLY A 20 -15.864 7.379 -5.871 1.00 72.54 H new ATOM 0 HA3 GLY A 20 -16.474 7.914 -4.317 1.00 72.54 H new ATOM 307 N VAL A 21 -13.733 6.441 -5.007 1.00 0.24 N ATOM 308 CA VAL A 21 -12.398 6.029 -4.553 1.00 73.13 C ATOM 309 C VAL A 21 -11.628 7.272 -4.061 1.00 23.02 C ATOM 310 O VAL A 21 -10.816 7.862 -4.775 1.00 51.23 O ATOM 311 CB VAL A 21 -11.588 5.248 -5.673 1.00 71.24 C ATOM 312 CG1 VAL A 21 -10.212 4.757 -5.148 1.00 54.34 C ATOM 313 CG2 VAL A 21 -12.421 4.064 -6.228 1.00 40.34 C ATOM 0 H VAL A 21 -13.782 6.609 -6.012 1.00 0.24 H new ATOM 0 HA VAL A 21 -12.517 5.325 -3.729 1.00 73.13 H new ATOM 0 HB VAL A 21 -11.397 5.947 -6.488 1.00 71.24 H new ATOM 0 HG11 VAL A 21 -9.687 4.227 -5.943 1.00 54.34 H new ATOM 0 HG12 VAL A 21 -9.618 5.613 -4.829 1.00 54.34 H new ATOM 0 HG13 VAL A 21 -10.364 4.085 -4.303 1.00 54.34 H new ATOM 0 HG21 VAL A 21 -11.847 3.543 -6.994 1.00 40.34 H new ATOM 0 HG22 VAL A 21 -12.656 3.373 -5.418 1.00 40.34 H new ATOM 0 HG23 VAL A 21 -13.346 4.442 -6.663 1.00 40.34 H new ATOM 323 N GLU A 22 -12.042 7.724 -2.877 1.00 22.41 N ATOM 324 CA GLU A 22 -11.309 8.674 -2.027 1.00 63.43 C ATOM 325 C GLU A 22 -11.651 8.313 -0.573 1.00 24.23 C ATOM 326 O GLU A 22 -12.829 8.262 -0.209 1.00 72.12 O ATOM 327 CB GLU A 22 -11.650 10.158 -2.359 1.00 12.10 C ATOM 328 CG GLU A 22 -13.141 10.540 -2.283 1.00 2.41 C ATOM 329 CD GLU A 22 -13.409 12.035 -2.548 1.00 65.24 C ATOM 330 OE1 GLU A 22 -12.855 12.888 -1.826 1.00 42.12 O ATOM 331 OE2 GLU A 22 -14.197 12.365 -3.457 1.00 54.44 O ATOM 0 H GLU A 22 -12.928 7.431 -2.465 1.00 22.41 H new ATOM 0 HA GLU A 22 -10.237 8.593 -2.204 1.00 63.43 H new ATOM 0 HB2 GLU A 22 -11.095 10.800 -1.675 1.00 12.10 H new ATOM 0 HB3 GLU A 22 -11.290 10.377 -3.364 1.00 12.10 H new ATOM 0 HG2 GLU A 22 -13.697 9.946 -3.008 1.00 2.41 H new ATOM 0 HG3 GLU A 22 -13.524 10.280 -1.296 1.00 2.41 H new ATOM 338 N PHE A 23 -10.623 7.994 0.234 1.00 54.14 N ATOM 339 CA PHE A 23 -10.813 7.380 1.568 1.00 44.34 C ATOM 340 C PHE A 23 -11.539 8.326 2.548 1.00 20.10 C ATOM 341 O PHE A 23 -11.346 9.542 2.509 1.00 65.03 O ATOM 342 CB PHE A 23 -9.456 6.926 2.157 1.00 13.34 C ATOM 343 CG PHE A 23 -8.756 5.838 1.332 1.00 1.21 C ATOM 344 CD1 PHE A 23 -9.224 4.519 1.346 1.00 12.21 C ATOM 345 CD2 PHE A 23 -7.627 6.126 0.558 1.00 72.33 C ATOM 346 CE1 PHE A 23 -8.595 3.531 0.606 1.00 13.52 C ATOM 347 CE2 PHE A 23 -7.001 5.136 -0.182 1.00 22.22 C ATOM 348 CZ PHE A 23 -7.480 3.841 -0.153 1.00 34.54 C ATOM 0 H PHE A 23 -9.646 8.151 -0.013 1.00 54.14 H new ATOM 0 HA PHE A 23 -11.450 6.506 1.431 1.00 44.34 H new ATOM 0 HB2 PHE A 23 -8.797 7.791 2.235 1.00 13.34 H new ATOM 0 HB3 PHE A 23 -9.616 6.555 3.169 1.00 13.34 H new ATOM 0 HD1 PHE A 23 -10.088 4.268 1.943 1.00 12.21 H new ATOM 0 HD2 PHE A 23 -7.238 7.133 0.537 1.00 72.33 H new ATOM 0 HE1 PHE A 23 -8.974 2.520 0.621 1.00 13.52 H new ATOM 0 HE2 PHE A 23 -6.137 5.377 -0.783 1.00 22.22 H new ATOM 0 HZ PHE A 23 -6.984 3.069 -0.723 1.00 34.54 H new ATOM 358 N ARG A 24 -12.392 7.737 3.403 1.00 74.21 N ATOM 359 CA ARG A 24 -13.125 8.457 4.458 1.00 64.51 C ATOM 360 C ARG A 24 -12.139 9.064 5.457 1.00 51.41 C ATOM 361 O ARG A 24 -12.241 10.241 5.817 1.00 34.42 O ATOM 362 CB ARG A 24 -14.101 7.487 5.169 1.00 2.05 C ATOM 363 CG ARG A 24 -14.971 8.127 6.269 1.00 54.21 C ATOM 364 CD ARG A 24 -15.972 7.138 6.882 1.00 33.11 C ATOM 365 NE ARG A 24 -16.789 7.766 7.941 1.00 64.33 N ATOM 366 CZ ARG A 24 -17.748 7.149 8.649 1.00 44.12 C ATOM 367 NH1 ARG A 24 -18.041 5.869 8.441 1.00 74.32 N ATOM 368 NH2 ARG A 24 -18.417 7.821 9.575 1.00 61.33 N ATOM 0 H ARG A 24 -12.594 6.737 3.381 1.00 74.21 H new ATOM 0 HA ARG A 24 -13.703 9.267 4.012 1.00 64.51 H new ATOM 0 HB2 ARG A 24 -14.757 7.043 4.421 1.00 2.05 H new ATOM 0 HB3 ARG A 24 -13.524 6.674 5.610 1.00 2.05 H new ATOM 0 HG2 ARG A 24 -14.326 8.519 7.055 1.00 54.21 H new ATOM 0 HG3 ARG A 24 -15.514 8.975 5.850 1.00 54.21 H new ATOM 0 HD2 ARG A 24 -16.626 6.752 6.100 1.00 33.11 H new ATOM 0 HD3 ARG A 24 -15.433 6.286 7.296 1.00 33.11 H new ATOM 0 HE ARG A 24 -16.610 8.748 8.151 1.00 64.33 H new ATOM 0 HH11 ARG A 24 -17.534 5.338 7.733 1.00 74.32 H new ATOM 0 HH12 ARG A 24 -18.773 5.418 8.989 1.00 74.32 H new ATOM 0 HH21 ARG A 24 -18.202 8.803 9.747 1.00 61.33 H new ATOM 0 HH22 ARG A 24 -19.147 7.356 10.115 1.00 61.33 H new ATOM 382 N ASP A 25 -11.166 8.240 5.858 1.00 61.01 N ATOM 383 CA ASP A 25 -10.107 8.623 6.778 1.00 63.31 C ATOM 384 C ASP A 25 -8.898 7.710 6.522 1.00 61.21 C ATOM 385 O ASP A 25 -9.055 6.530 6.188 1.00 1.31 O ATOM 386 CB ASP A 25 -10.605 8.533 8.240 1.00 50.42 C ATOM 387 CG ASP A 25 -9.592 9.087 9.251 1.00 14.13 C ATOM 388 OD1 ASP A 25 -9.558 10.321 9.449 1.00 22.24 O ATOM 389 OD2 ASP A 25 -8.812 8.304 9.827 1.00 2.05 O ATOM 0 H ASP A 25 -11.097 7.272 5.543 1.00 61.01 H new ATOM 0 HA ASP A 25 -9.809 9.659 6.613 1.00 63.31 H new ATOM 0 HB2 ASP A 25 -11.542 9.082 8.334 1.00 50.42 H new ATOM 0 HB3 ASP A 25 -10.820 7.492 8.482 1.00 50.42 H new ATOM 394 N LEU A 26 -7.705 8.272 6.690 1.00 40.32 N ATOM 395 CA LEU A 26 -6.428 7.643 6.286 1.00 34.41 C ATOM 396 C LEU A 26 -5.808 6.830 7.418 1.00 14.03 C ATOM 397 O LEU A 26 -5.019 5.914 7.176 1.00 24.34 O ATOM 398 CB LEU A 26 -5.477 8.747 5.810 1.00 22.41 C ATOM 399 CG LEU A 26 -6.015 9.573 4.607 1.00 72.34 C ATOM 400 CD1 LEU A 26 -5.227 10.863 4.448 1.00 1.24 C ATOM 401 CD2 LEU A 26 -6.021 8.735 3.306 1.00 25.11 C ATOM 0 H LEU A 26 -7.584 9.191 7.116 1.00 40.32 H new ATOM 0 HA LEU A 26 -6.616 6.939 5.476 1.00 34.41 H new ATOM 0 HB2 LEU A 26 -5.278 9.423 6.641 1.00 22.41 H new ATOM 0 HB3 LEU A 26 -4.525 8.296 5.531 1.00 22.41 H new ATOM 0 HG LEU A 26 -7.051 9.842 4.814 1.00 72.34 H new ATOM 0 HD11 LEU A 26 -5.619 11.427 3.601 1.00 1.24 H new ATOM 0 HD12 LEU A 26 -5.320 11.460 5.355 1.00 1.24 H new ATOM 0 HD13 LEU A 26 -4.177 10.629 4.273 1.00 1.24 H new ATOM 0 HD21 LEU A 26 -6.402 9.341 2.484 1.00 25.11 H new ATOM 0 HD22 LEU A 26 -5.006 8.411 3.077 1.00 25.11 H new ATOM 0 HD23 LEU A 26 -6.659 7.861 3.439 1.00 25.11 H new ATOM 413 N SER A 27 -6.165 7.182 8.657 1.00 50.31 N ATOM 414 CA SER A 27 -5.879 6.351 9.831 1.00 20.14 C ATOM 415 C SER A 27 -6.907 5.198 9.891 1.00 32.32 C ATOM 416 O SER A 27 -6.710 4.212 10.608 1.00 40.43 O ATOM 417 CB SER A 27 -5.918 7.218 11.117 1.00 14.42 C ATOM 418 OG SER A 27 -5.012 8.314 11.024 1.00 13.31 O ATOM 0 H SER A 27 -6.659 8.048 8.874 1.00 50.31 H new ATOM 0 HA SER A 27 -4.880 5.922 9.755 1.00 20.14 H new ATOM 0 HB2 SER A 27 -6.930 7.591 11.277 1.00 14.42 H new ATOM 0 HB3 SER A 27 -5.664 6.604 11.981 1.00 14.42 H new ATOM 0 HG SER A 27 -5.057 8.846 11.846 1.00 13.31 H new ATOM 424 N LYS A 28 -8.003 5.332 9.095 1.00 20.34 N ATOM 425 CA LYS A 28 -9.071 4.306 8.985 1.00 73.33 C ATOM 426 C LYS A 28 -9.031 3.608 7.612 1.00 53.42 C ATOM 427 O LYS A 28 -10.075 3.240 7.050 1.00 62.21 O ATOM 428 CB LYS A 28 -10.463 4.935 9.235 1.00 13.31 C ATOM 429 CG LYS A 28 -10.646 5.527 10.645 1.00 41.22 C ATOM 430 CD LYS A 28 -12.075 6.059 10.868 1.00 12.45 C ATOM 431 CE LYS A 28 -12.259 6.735 12.235 1.00 12.33 C ATOM 432 NZ LYS A 28 -13.662 7.179 12.440 1.00 25.23 N ATOM 0 H LYS A 28 -8.168 6.154 8.514 1.00 20.34 H new ATOM 0 HA LYS A 28 -8.891 3.553 9.752 1.00 73.33 H new ATOM 0 HB2 LYS A 28 -10.631 5.721 8.499 1.00 13.31 H new ATOM 0 HB3 LYS A 28 -11.227 4.175 9.070 1.00 13.31 H new ATOM 0 HG2 LYS A 28 -10.423 4.763 11.390 1.00 41.22 H new ATOM 0 HG3 LYS A 28 -9.931 6.336 10.794 1.00 41.22 H new ATOM 0 HD2 LYS A 28 -12.318 6.773 10.081 1.00 12.45 H new ATOM 0 HD3 LYS A 28 -12.782 5.234 10.779 1.00 12.45 H new ATOM 0 HE2 LYS A 28 -11.977 6.040 13.026 1.00 12.33 H new ATOM 0 HE3 LYS A 28 -11.590 7.593 12.311 1.00 12.33 H new ATOM 0 HZ1 LYS A 28 -13.750 7.631 13.373 1.00 25.23 H new ATOM 0 HZ2 LYS A 28 -13.922 7.861 11.699 1.00 25.23 H new ATOM 0 HZ3 LYS A 28 -14.297 6.357 12.392 1.00 25.23 H new ATOM 446 N VAL A 29 -7.821 3.431 7.071 1.00 74.53 N ATOM 447 CA VAL A 29 -7.584 2.518 5.940 1.00 53.13 C ATOM 448 C VAL A 29 -7.094 1.176 6.509 1.00 14.44 C ATOM 449 O VAL A 29 -6.401 1.148 7.537 1.00 33.40 O ATOM 450 CB VAL A 29 -6.543 3.086 4.897 1.00 51.40 C ATOM 451 CG1 VAL A 29 -7.003 4.447 4.339 1.00 23.55 C ATOM 452 CG2 VAL A 29 -5.112 3.173 5.477 1.00 63.23 C ATOM 0 H VAL A 29 -6.983 3.911 7.399 1.00 74.53 H new ATOM 0 HA VAL A 29 -8.519 2.396 5.393 1.00 53.13 H new ATOM 0 HB VAL A 29 -6.503 2.375 4.071 1.00 51.40 H new ATOM 0 HG11 VAL A 29 -6.267 4.814 3.623 1.00 23.55 H new ATOM 0 HG12 VAL A 29 -7.966 4.330 3.842 1.00 23.55 H new ATOM 0 HG13 VAL A 29 -7.102 5.161 5.157 1.00 23.55 H new ATOM 0 HG21 VAL A 29 -4.436 3.569 4.720 1.00 63.23 H new ATOM 0 HG22 VAL A 29 -5.111 3.832 6.345 1.00 63.23 H new ATOM 0 HG23 VAL A 29 -4.779 2.179 5.776 1.00 63.23 H new ATOM 462 N GLU A 30 -7.469 0.069 5.868 1.00 75.31 N ATOM 463 CA GLU A 30 -7.012 -1.264 6.267 1.00 21.41 C ATOM 464 C GLU A 30 -6.128 -1.836 5.152 1.00 1.31 C ATOM 465 O GLU A 30 -6.627 -2.269 4.102 1.00 70.50 O ATOM 466 CB GLU A 30 -8.204 -2.203 6.591 1.00 41.53 C ATOM 467 CG GLU A 30 -7.767 -3.567 7.172 1.00 70.13 C ATOM 468 CD GLU A 30 -8.939 -4.455 7.611 1.00 63.12 C ATOM 469 OE1 GLU A 30 -9.593 -5.052 6.736 1.00 12.41 O ATOM 470 OE2 GLU A 30 -9.207 -4.571 8.825 1.00 20.21 O ATOM 0 H GLU A 30 -8.094 0.069 5.062 1.00 75.31 H new ATOM 0 HA GLU A 30 -6.428 -1.185 7.184 1.00 21.41 H new ATOM 0 HB2 GLU A 30 -8.865 -1.708 7.302 1.00 41.53 H new ATOM 0 HB3 GLU A 30 -8.782 -2.371 5.683 1.00 41.53 H new ATOM 0 HG2 GLU A 30 -7.180 -4.099 6.424 1.00 70.13 H new ATOM 0 HG3 GLU A 30 -7.113 -3.395 8.027 1.00 70.13 H new ATOM 477 N PHE A 31 -4.808 -1.764 5.375 1.00 60.22 N ATOM 478 CA PHE A 31 -3.805 -2.382 4.507 1.00 13.22 C ATOM 479 C PHE A 31 -3.934 -3.903 4.657 1.00 52.34 C ATOM 480 O PHE A 31 -3.559 -4.452 5.700 1.00 12.30 O ATOM 481 CB PHE A 31 -2.378 -1.923 4.911 1.00 43.24 C ATOM 482 CG PHE A 31 -2.157 -0.407 4.929 1.00 2.44 C ATOM 483 CD1 PHE A 31 -2.162 0.330 3.749 1.00 3.44 C ATOM 484 CD2 PHE A 31 -1.902 0.274 6.126 1.00 1.52 C ATOM 485 CE1 PHE A 31 -1.924 1.690 3.759 1.00 40.40 C ATOM 486 CE2 PHE A 31 -1.670 1.636 6.132 1.00 70.24 C ATOM 487 CZ PHE A 31 -1.678 2.341 4.949 1.00 62.14 C ATOM 0 H PHE A 31 -4.406 -1.270 6.172 1.00 60.22 H new ATOM 0 HA PHE A 31 -3.968 -2.084 3.471 1.00 13.22 H new ATOM 0 HB2 PHE A 31 -2.155 -2.318 5.902 1.00 43.24 H new ATOM 0 HB3 PHE A 31 -1.662 -2.370 4.221 1.00 43.24 H new ATOM 0 HD1 PHE A 31 -2.355 -0.169 2.811 1.00 3.44 H new ATOM 0 HD2 PHE A 31 -1.887 -0.273 7.057 1.00 1.52 H new ATOM 0 HE1 PHE A 31 -1.931 2.245 2.833 1.00 40.40 H new ATOM 0 HE2 PHE A 31 -1.482 2.148 7.064 1.00 70.24 H new ATOM 0 HZ PHE A 31 -1.491 3.405 4.954 1.00 62.14 H new ATOM 497 N VAL A 32 -4.518 -4.559 3.637 1.00 5.43 N ATOM 498 CA VAL A 32 -4.809 -6.008 3.665 1.00 43.03 C ATOM 499 C VAL A 32 -3.508 -6.825 3.853 1.00 13.52 C ATOM 500 O VAL A 32 -3.499 -7.868 4.524 1.00 54.33 O ATOM 501 CB VAL A 32 -5.561 -6.474 2.361 1.00 72.21 C ATOM 502 CG1 VAL A 32 -5.940 -7.977 2.409 1.00 72.30 C ATOM 503 CG2 VAL A 32 -6.804 -5.603 2.093 1.00 72.40 C ATOM 0 H VAL A 32 -4.802 -4.102 2.770 1.00 5.43 H new ATOM 0 HA VAL A 32 -5.466 -6.192 4.515 1.00 43.03 H new ATOM 0 HB VAL A 32 -4.866 -6.343 1.532 1.00 72.21 H new ATOM 0 HG11 VAL A 32 -6.456 -8.252 1.489 1.00 72.30 H new ATOM 0 HG12 VAL A 32 -5.036 -8.577 2.511 1.00 72.30 H new ATOM 0 HG13 VAL A 32 -6.595 -8.160 3.261 1.00 72.30 H new ATOM 0 HG21 VAL A 32 -7.302 -5.949 1.187 1.00 72.40 H new ATOM 0 HG22 VAL A 32 -7.491 -5.680 2.936 1.00 72.40 H new ATOM 0 HG23 VAL A 32 -6.500 -4.564 1.966 1.00 72.40 H new ATOM 513 N GLY A 33 -2.417 -6.306 3.265 1.00 33.34 N ATOM 514 CA GLY A 33 -1.089 -6.898 3.363 1.00 32.32 C ATOM 515 C GLY A 33 -0.513 -7.161 1.984 1.00 54.32 C ATOM 516 O GLY A 33 -0.564 -6.289 1.104 1.00 62.22 O ATOM 0 H GLY A 33 -2.442 -5.454 2.704 1.00 33.34 H new ATOM 0 HA2 GLY A 33 -0.428 -6.231 3.917 1.00 32.32 H new ATOM 0 HA3 GLY A 33 -1.142 -7.831 3.924 1.00 32.32 H new ATOM 520 N ALA A 34 0.043 -8.351 1.807 1.00 22.43 N ATOM 521 CA ALA A 34 0.514 -8.860 0.513 1.00 34.41 C ATOM 522 C ALA A 34 0.361 -10.384 0.507 1.00 21.12 C ATOM 523 O ALA A 34 0.058 -10.986 1.542 1.00 21.31 O ATOM 524 CB ALA A 34 1.970 -8.448 0.263 1.00 51.10 C ATOM 0 H ALA A 34 0.185 -9.010 2.573 1.00 22.43 H new ATOM 0 HA ALA A 34 -0.082 -8.432 -0.293 1.00 34.41 H new ATOM 0 HB1 ALA A 34 2.298 -8.836 -0.701 1.00 51.10 H new ATOM 0 HB2 ALA A 34 2.045 -7.361 0.261 1.00 51.10 H new ATOM 0 HB3 ALA A 34 2.604 -8.854 1.052 1.00 51.10 H new ATOM 530 N TYR A 35 0.554 -11.002 -0.660 1.00 74.12 N ATOM 531 CA TYR A 35 0.439 -12.464 -0.839 1.00 15.02 C ATOM 532 C TYR A 35 1.647 -12.970 -1.653 1.00 74.34 C ATOM 533 O TYR A 35 2.169 -12.215 -2.456 1.00 2.10 O ATOM 534 CB TYR A 35 -0.912 -12.800 -1.543 1.00 32.55 C ATOM 535 CG TYR A 35 -2.125 -12.916 -0.595 1.00 31.43 C ATOM 536 CD1 TYR A 35 -2.737 -11.787 -0.048 1.00 42.42 C ATOM 537 CD2 TYR A 35 -2.656 -14.168 -0.251 1.00 74.32 C ATOM 538 CE1 TYR A 35 -3.824 -11.902 0.801 1.00 44.12 C ATOM 539 CE2 TYR A 35 -3.743 -14.283 0.588 1.00 64.20 C ATOM 540 CZ TYR A 35 -4.322 -13.152 1.111 1.00 34.01 C ATOM 541 OH TYR A 35 -5.418 -13.272 1.941 1.00 63.52 O ATOM 0 H TYR A 35 0.796 -10.505 -1.517 1.00 74.12 H new ATOM 0 HA TYR A 35 0.444 -12.967 0.128 1.00 15.02 H new ATOM 0 HB2 TYR A 35 -1.121 -12.029 -2.285 1.00 32.55 H new ATOM 0 HB3 TYR A 35 -0.800 -13.740 -2.083 1.00 32.55 H new ATOM 0 HD1 TYR A 35 -2.356 -10.806 -0.292 1.00 42.42 H new ATOM 0 HD2 TYR A 35 -2.203 -15.062 -0.653 1.00 74.32 H new ATOM 0 HE1 TYR A 35 -4.281 -11.017 1.219 1.00 44.12 H new ATOM 0 HE2 TYR A 35 -4.138 -15.258 0.833 1.00 64.20 H new ATOM 0 HH TYR A 35 -5.640 -14.220 2.055 1.00 63.52 H new ATOM 551 N PRO A 36 2.098 -14.262 -1.485 1.00 4.02 N ATOM 552 CA PRO A 36 3.296 -14.801 -2.212 1.00 62.12 C ATOM 553 C PRO A 36 3.122 -14.927 -3.749 1.00 43.53 C ATOM 554 O PRO A 36 4.062 -15.325 -4.446 1.00 73.43 O ATOM 555 CB PRO A 36 3.518 -16.189 -1.550 1.00 22.44 C ATOM 556 CG PRO A 36 2.182 -16.569 -0.977 1.00 55.11 C ATOM 557 CD PRO A 36 1.523 -15.273 -0.553 1.00 64.42 C ATOM 0 HA PRO A 36 4.143 -14.121 -2.124 1.00 62.12 H new ATOM 0 HB2 PRO A 36 3.857 -16.924 -2.280 1.00 22.44 H new ATOM 0 HB3 PRO A 36 4.280 -16.137 -0.772 1.00 22.44 H new ATOM 0 HG2 PRO A 36 1.575 -17.091 -1.717 1.00 55.11 H new ATOM 0 HG3 PRO A 36 2.299 -17.243 -0.128 1.00 55.11 H new ATOM 0 HD2 PRO A 36 0.438 -15.328 -0.642 1.00 64.42 H new ATOM 0 HD3 PRO A 36 1.746 -15.032 0.486 1.00 64.42 H new ATOM 565 N SER A 37 1.935 -14.571 -4.263 1.00 61.22 N ATOM 566 CA SER A 37 1.605 -14.659 -5.692 1.00 62.11 C ATOM 567 C SER A 37 0.588 -13.567 -6.040 1.00 13.34 C ATOM 568 O SER A 37 -0.245 -13.199 -5.190 1.00 51.11 O ATOM 569 CB SER A 37 1.048 -16.067 -6.006 1.00 2.31 C ATOM 570 OG SER A 37 0.724 -16.231 -7.375 1.00 43.22 O ATOM 0 H SER A 37 1.170 -14.211 -3.692 1.00 61.22 H new ATOM 0 HA SER A 37 2.498 -14.505 -6.298 1.00 62.11 H new ATOM 0 HB2 SER A 37 1.784 -16.818 -5.718 1.00 2.31 H new ATOM 0 HB3 SER A 37 0.158 -16.245 -5.402 1.00 2.31 H new ATOM 0 HG SER A 37 0.378 -17.136 -7.523 1.00 43.22 H new ATOM 576 N TYR A 38 0.665 -13.046 -7.289 1.00 74.14 N ATOM 577 CA TYR A 38 -0.232 -11.984 -7.771 1.00 45.22 C ATOM 578 C TYR A 38 -1.700 -12.415 -7.691 1.00 15.22 C ATOM 579 O TYR A 38 -2.518 -11.655 -7.196 1.00 41.42 O ATOM 580 CB TYR A 38 0.105 -11.532 -9.228 1.00 12.41 C ATOM 581 CG TYR A 38 -0.967 -10.594 -9.845 1.00 32.54 C ATOM 582 CD1 TYR A 38 -1.202 -9.323 -9.320 1.00 53.21 C ATOM 583 CD2 TYR A 38 -1.769 -10.997 -10.923 1.00 41.24 C ATOM 584 CE1 TYR A 38 -2.191 -8.498 -9.837 1.00 14.25 C ATOM 585 CE2 TYR A 38 -2.750 -10.167 -11.441 1.00 60.22 C ATOM 586 CZ TYR A 38 -2.956 -8.924 -10.892 1.00 71.54 C ATOM 587 OH TYR A 38 -3.938 -8.095 -11.397 1.00 43.11 O ATOM 0 H TYR A 38 1.348 -13.352 -7.981 1.00 74.14 H new ATOM 0 HA TYR A 38 -0.073 -11.131 -7.111 1.00 45.22 H new ATOM 0 HB2 TYR A 38 1.068 -11.021 -9.229 1.00 12.41 H new ATOM 0 HB3 TYR A 38 0.212 -12.414 -9.859 1.00 12.41 H new ATOM 0 HD1 TYR A 38 -0.601 -8.974 -8.493 1.00 53.21 H new ATOM 0 HD2 TYR A 38 -1.619 -11.974 -11.358 1.00 41.24 H new ATOM 0 HE1 TYR A 38 -2.358 -7.521 -9.408 1.00 14.25 H new ATOM 0 HE2 TYR A 38 -3.352 -10.496 -12.275 1.00 60.22 H new ATOM 0 HH TYR A 38 -4.391 -8.541 -12.143 1.00 43.11 H new ATOM 597 N ASP A 39 -2.013 -13.628 -8.190 1.00 61.23 N ATOM 598 CA ASP A 39 -3.403 -14.114 -8.270 1.00 53.12 C ATOM 599 C ASP A 39 -3.994 -14.367 -6.877 1.00 3.53 C ATOM 600 O ASP A 39 -5.209 -14.300 -6.711 1.00 72.24 O ATOM 601 CB ASP A 39 -3.532 -15.372 -9.171 1.00 24.04 C ATOM 602 CG ASP A 39 -5.004 -15.806 -9.393 1.00 3.35 C ATOM 603 OD1 ASP A 39 -5.772 -15.020 -10.002 1.00 2.03 O ATOM 604 OD2 ASP A 39 -5.400 -16.911 -8.961 1.00 73.45 O ATOM 0 H ASP A 39 -1.321 -14.288 -8.543 1.00 61.23 H new ATOM 0 HA ASP A 39 -3.986 -13.321 -8.739 1.00 53.12 H new ATOM 0 HB2 ASP A 39 -3.068 -15.170 -10.137 1.00 24.04 H new ATOM 0 HB3 ASP A 39 -2.980 -16.195 -8.718 1.00 24.04 H new ATOM 609 N GLU A 40 -3.129 -14.625 -5.879 1.00 50.32 N ATOM 610 CA GLU A 40 -3.560 -14.751 -4.476 1.00 25.21 C ATOM 611 C GLU A 40 -4.006 -13.386 -3.920 1.00 30.44 C ATOM 612 O GLU A 40 -4.978 -13.310 -3.168 1.00 24.23 O ATOM 613 CB GLU A 40 -2.433 -15.337 -3.597 1.00 63.11 C ATOM 614 CG GLU A 40 -1.947 -16.729 -4.006 1.00 25.14 C ATOM 615 CD GLU A 40 -3.059 -17.794 -4.041 1.00 32.50 C ATOM 616 OE1 GLU A 40 -3.647 -18.091 -2.975 1.00 43.42 O ATOM 617 OE2 GLU A 40 -3.353 -18.331 -5.129 1.00 10.54 O ATOM 0 H GLU A 40 -2.126 -14.750 -6.019 1.00 50.32 H new ATOM 0 HA GLU A 40 -4.407 -15.436 -4.450 1.00 25.21 H new ATOM 0 HB2 GLU A 40 -1.585 -14.653 -3.617 1.00 63.11 H new ATOM 0 HB3 GLU A 40 -2.783 -15.380 -2.566 1.00 63.11 H new ATOM 0 HG2 GLU A 40 -1.486 -16.667 -4.992 1.00 25.14 H new ATOM 0 HG3 GLU A 40 -1.171 -17.051 -3.311 1.00 25.14 H new ATOM 624 N ALA A 41 -3.284 -12.308 -4.307 1.00 11.34 N ATOM 625 CA ALA A 41 -3.626 -10.928 -3.931 1.00 71.40 C ATOM 626 C ALA A 41 -4.844 -10.445 -4.744 1.00 1.22 C ATOM 627 O ALA A 41 -5.708 -9.722 -4.247 1.00 41.24 O ATOM 628 CB ALA A 41 -2.404 -10.036 -4.165 1.00 75.21 C ATOM 0 H ALA A 41 -2.449 -12.377 -4.889 1.00 11.34 H new ATOM 0 HA ALA A 41 -3.897 -10.880 -2.876 1.00 71.40 H new ATOM 0 HB1 ALA A 41 -2.645 -9.009 -3.890 1.00 75.21 H new ATOM 0 HB2 ALA A 41 -1.573 -10.390 -3.555 1.00 75.21 H new ATOM 0 HB3 ALA A 41 -2.123 -10.073 -5.217 1.00 75.21 H new ATOM 634 N HIS A 42 -4.904 -10.924 -5.993 1.00 35.54 N ATOM 635 CA HIS A 42 -5.978 -10.636 -6.949 1.00 32.43 C ATOM 636 C HIS A 42 -7.291 -11.242 -6.454 1.00 33.43 C ATOM 637 O HIS A 42 -8.350 -10.652 -6.600 1.00 34.22 O ATOM 638 CB HIS A 42 -5.590 -11.204 -8.341 1.00 21.23 C ATOM 639 CG HIS A 42 -6.616 -11.033 -9.419 1.00 71.31 C ATOM 640 ND1 HIS A 42 -7.454 -10.012 -9.687 1.00 72.41 N flip ATOM 641 CD2 HIS A 42 -6.829 -11.968 -10.405 1.00 40.11 C flip ATOM 642 CE1 HIS A 42 -8.139 -10.337 -10.820 1.00 33.30 C flip ATOM 643 NE2 HIS A 42 -7.743 -11.522 -11.234 1.00 42.14 N flip ATOM 0 H HIS A 42 -4.186 -11.539 -6.376 1.00 35.54 H new ATOM 0 HA HIS A 42 -6.117 -9.559 -7.038 1.00 32.43 H new ATOM 0 HB2 HIS A 42 -4.666 -10.725 -8.664 1.00 21.23 H new ATOM 0 HB3 HIS A 42 -5.376 -12.267 -8.233 1.00 21.23 H new ATOM 0 HD2 HIS A 42 -6.324 -12.919 -10.484 1.00 40.11 H new ATOM 0 HE1 HIS A 42 -8.886 -9.722 -11.300 1.00 33.30 H new ATOM 0 HE2 HIS A 42 -8.088 -12.011 -12.060 1.00 42.14 H new ATOM 652 N LYS A 43 -7.178 -12.417 -5.844 1.00 73.14 N ATOM 653 CA LYS A 43 -8.319 -13.158 -5.322 1.00 71.40 C ATOM 654 C LYS A 43 -8.731 -12.579 -3.966 1.00 15.13 C ATOM 655 O LYS A 43 -9.922 -12.514 -3.651 1.00 10.43 O ATOM 656 CB LYS A 43 -7.948 -14.664 -5.217 1.00 13.13 C ATOM 657 CG LYS A 43 -9.123 -15.633 -5.413 1.00 54.14 C ATOM 658 CD LYS A 43 -9.831 -15.436 -6.779 1.00 33.52 C ATOM 659 CE LYS A 43 -8.883 -15.558 -7.998 1.00 75.51 C ATOM 660 NZ LYS A 43 -8.204 -16.878 -8.084 1.00 25.23 N ATOM 0 H LYS A 43 -6.284 -12.885 -5.697 1.00 73.14 H new ATOM 0 HA LYS A 43 -9.171 -13.065 -5.996 1.00 71.40 H new ATOM 0 HB2 LYS A 43 -7.183 -14.888 -5.961 1.00 13.13 H new ATOM 0 HB3 LYS A 43 -7.504 -14.847 -4.238 1.00 13.13 H new ATOM 0 HG2 LYS A 43 -8.761 -16.658 -5.339 1.00 54.14 H new ATOM 0 HG3 LYS A 43 -9.845 -15.491 -4.609 1.00 54.14 H new ATOM 0 HD2 LYS A 43 -10.627 -16.174 -6.875 1.00 33.52 H new ATOM 0 HD3 LYS A 43 -10.303 -14.454 -6.795 1.00 33.52 H new ATOM 0 HE2 LYS A 43 -9.453 -15.390 -8.912 1.00 75.51 H new ATOM 0 HE3 LYS A 43 -8.130 -14.772 -7.944 1.00 75.51 H new ATOM 0 HZ1 LYS A 43 -7.200 -16.737 -8.314 1.00 25.23 H new ATOM 0 HZ2 LYS A 43 -8.284 -17.370 -7.171 1.00 25.23 H new ATOM 0 HZ3 LYS A 43 -8.653 -17.451 -8.827 1.00 25.23 H new ATOM 674 N ALA A 44 -7.714 -12.133 -3.197 1.00 22.41 N ATOM 675 CA ALA A 44 -7.890 -11.530 -1.870 1.00 44.02 C ATOM 676 C ALA A 44 -8.699 -10.228 -1.932 1.00 35.40 C ATOM 677 O ALA A 44 -9.379 -9.895 -0.975 1.00 73.01 O ATOM 678 CB ALA A 44 -6.534 -11.249 -1.229 1.00 53.21 C ATOM 0 H ALA A 44 -6.738 -12.185 -3.489 1.00 22.41 H new ATOM 0 HA ALA A 44 -8.445 -12.247 -1.265 1.00 44.02 H new ATOM 0 HB1 ALA A 44 -6.682 -10.802 -0.246 1.00 53.21 H new ATOM 0 HB2 ALA A 44 -5.981 -12.182 -1.124 1.00 53.21 H new ATOM 0 HB3 ALA A 44 -5.969 -10.562 -1.859 1.00 53.21 H new ATOM 684 N TRP A 45 -8.583 -9.509 -3.067 1.00 4.01 N ATOM 685 CA TRP A 45 -9.334 -8.271 -3.352 1.00 73.41 C ATOM 686 C TRP A 45 -10.853 -8.485 -3.097 1.00 5.04 C ATOM 687 O TRP A 45 -11.464 -7.808 -2.263 1.00 23.23 O ATOM 688 CB TRP A 45 -9.026 -7.818 -4.837 1.00 14.02 C ATOM 689 CG TRP A 45 -10.202 -7.216 -5.592 1.00 14.14 C ATOM 690 CD1 TRP A 45 -10.745 -5.975 -5.430 1.00 2.11 C ATOM 691 CD2 TRP A 45 -10.969 -7.851 -6.638 1.00 54.33 C ATOM 692 NE1 TRP A 45 -11.816 -5.810 -6.273 1.00 45.21 N ATOM 693 CE2 TRP A 45 -11.973 -6.947 -7.026 1.00 71.32 C ATOM 694 CE3 TRP A 45 -10.912 -9.105 -7.269 1.00 21.11 C ATOM 695 CZ2 TRP A 45 -12.898 -7.247 -8.018 1.00 3.24 C ATOM 696 CZ3 TRP A 45 -11.830 -9.400 -8.247 1.00 62.12 C ATOM 697 CH2 TRP A 45 -12.813 -8.478 -8.610 1.00 74.20 C ATOM 0 H TRP A 45 -7.954 -9.778 -3.824 1.00 4.01 H new ATOM 0 HA TRP A 45 -9.018 -7.473 -2.680 1.00 73.41 H new ATOM 0 HB2 TRP A 45 -8.217 -7.088 -4.816 1.00 14.02 H new ATOM 0 HB3 TRP A 45 -8.662 -8.681 -5.394 1.00 14.02 H new ATOM 0 HD1 TRP A 45 -10.384 -5.229 -4.738 1.00 2.11 H new ATOM 0 HE1 TRP A 45 -12.401 -4.976 -6.331 1.00 45.21 H new ATOM 0 HE3 TRP A 45 -10.158 -9.826 -6.989 1.00 21.11 H new ATOM 0 HZ2 TRP A 45 -13.656 -6.536 -8.311 1.00 3.24 H new ATOM 0 HZ3 TRP A 45 -11.791 -10.359 -8.742 1.00 62.12 H new ATOM 0 HH2 TRP A 45 -13.525 -8.743 -9.378 1.00 74.20 H new ATOM 708 N LYS A 46 -11.422 -9.461 -3.820 1.00 1.05 N ATOM 709 CA LYS A 46 -12.866 -9.771 -3.772 1.00 72.45 C ATOM 710 C LYS A 46 -13.198 -10.702 -2.594 1.00 53.33 C ATOM 711 O LYS A 46 -14.329 -10.705 -2.109 1.00 2.22 O ATOM 712 CB LYS A 46 -13.296 -10.371 -5.130 1.00 50.14 C ATOM 713 CG LYS A 46 -14.765 -10.820 -5.251 1.00 63.45 C ATOM 714 CD LYS A 46 -15.099 -11.398 -6.646 1.00 63.10 C ATOM 715 CE LYS A 46 -14.236 -12.620 -7.020 1.00 43.44 C ATOM 716 NZ LYS A 46 -14.606 -13.164 -8.355 1.00 61.32 N ATOM 0 H LYS A 46 -10.897 -10.061 -4.456 1.00 1.05 H new ATOM 0 HA LYS A 46 -13.431 -8.854 -3.602 1.00 72.45 H new ATOM 0 HB2 LYS A 46 -13.101 -9.631 -5.907 1.00 50.14 H new ATOM 0 HB3 LYS A 46 -12.659 -11.230 -5.340 1.00 50.14 H new ATOM 0 HG2 LYS A 46 -14.975 -11.572 -4.491 1.00 63.45 H new ATOM 0 HG3 LYS A 46 -15.418 -9.971 -5.048 1.00 63.45 H new ATOM 0 HD2 LYS A 46 -16.151 -11.683 -6.672 1.00 63.10 H new ATOM 0 HD3 LYS A 46 -14.961 -10.620 -7.397 1.00 63.10 H new ATOM 0 HE2 LYS A 46 -13.184 -12.336 -7.021 1.00 43.44 H new ATOM 0 HE3 LYS A 46 -14.356 -13.396 -6.264 1.00 43.44 H new ATOM 0 HZ1 LYS A 46 -14.006 -13.985 -8.574 1.00 61.32 H new ATOM 0 HZ2 LYS A 46 -15.604 -13.457 -8.346 1.00 61.32 H new ATOM 0 HZ3 LYS A 46 -14.467 -12.431 -9.079 1.00 61.32 H new ATOM 730 N ALA A 47 -12.197 -11.466 -2.118 1.00 21.02 N ATOM 731 CA ALA A 47 -12.340 -12.318 -0.919 1.00 43.44 C ATOM 732 C ALA A 47 -12.535 -11.447 0.335 1.00 52.12 C ATOM 733 O ALA A 47 -13.196 -11.852 1.287 1.00 20.13 O ATOM 734 CB ALA A 47 -11.120 -13.240 -0.764 1.00 65.43 C ATOM 0 H ALA A 47 -11.273 -11.511 -2.548 1.00 21.02 H new ATOM 0 HA ALA A 47 -13.223 -12.945 -1.040 1.00 43.44 H new ATOM 0 HB1 ALA A 47 -11.243 -13.860 0.124 1.00 65.43 H new ATOM 0 HB2 ALA A 47 -11.033 -13.879 -1.643 1.00 65.43 H new ATOM 0 HB3 ALA A 47 -10.218 -12.636 -0.663 1.00 65.43 H new ATOM 740 N LYS A 48 -11.947 -10.238 0.300 1.00 45.11 N ATOM 741 CA LYS A 48 -12.107 -9.215 1.333 1.00 52.03 C ATOM 742 C LYS A 48 -13.436 -8.476 1.162 1.00 34.12 C ATOM 743 O LYS A 48 -14.177 -8.315 2.125 1.00 31.50 O ATOM 744 CB LYS A 48 -10.918 -8.219 1.267 1.00 21.20 C ATOM 745 CG LYS A 48 -9.622 -8.717 1.945 1.00 23.31 C ATOM 746 CD LYS A 48 -9.759 -8.835 3.480 1.00 42.24 C ATOM 747 CE LYS A 48 -10.195 -7.507 4.118 1.00 74.35 C ATOM 748 NZ LYS A 48 -10.224 -7.575 5.596 1.00 45.23 N ATOM 0 H LYS A 48 -11.337 -9.945 -0.464 1.00 45.11 H new ATOM 0 HA LYS A 48 -12.115 -9.698 2.310 1.00 52.03 H new ATOM 0 HB2 LYS A 48 -10.704 -7.999 0.221 1.00 21.20 H new ATOM 0 HB3 LYS A 48 -11.220 -7.282 1.735 1.00 21.20 H new ATOM 0 HG2 LYS A 48 -9.352 -9.689 1.533 1.00 23.31 H new ATOM 0 HG3 LYS A 48 -8.807 -8.033 1.709 1.00 23.31 H new ATOM 0 HD2 LYS A 48 -10.486 -9.610 3.721 1.00 42.24 H new ATOM 0 HD3 LYS A 48 -8.806 -9.148 3.907 1.00 42.24 H new ATOM 0 HE2 LYS A 48 -9.513 -6.716 3.807 1.00 74.35 H new ATOM 0 HE3 LYS A 48 -11.185 -7.238 3.750 1.00 74.35 H new ATOM 0 HZ1 LYS A 48 -10.000 -6.639 5.991 1.00 45.23 H new ATOM 0 HZ2 LYS A 48 -11.171 -7.866 5.912 1.00 45.23 H new ATOM 0 HZ3 LYS A 48 -9.521 -8.267 5.926 1.00 45.23 H new ATOM 762 N ALA A 49 -13.717 -8.046 -0.083 1.00 24.34 N ATOM 763 CA ALA A 49 -14.932 -7.276 -0.425 1.00 33.53 C ATOM 764 C ALA A 49 -16.224 -8.037 -0.032 1.00 41.50 C ATOM 765 O ALA A 49 -17.138 -7.464 0.570 1.00 74.01 O ATOM 766 CB ALA A 49 -14.922 -6.933 -1.926 1.00 21.44 C ATOM 0 H ALA A 49 -13.108 -8.222 -0.882 1.00 24.34 H new ATOM 0 HA ALA A 49 -14.926 -6.350 0.150 1.00 33.53 H new ATOM 0 HB1 ALA A 49 -15.819 -6.366 -2.176 1.00 21.44 H new ATOM 0 HB2 ALA A 49 -14.039 -6.337 -2.157 1.00 21.44 H new ATOM 0 HB3 ALA A 49 -14.901 -7.853 -2.509 1.00 21.44 H new ATOM 772 N GLN A 50 -16.261 -9.342 -0.356 1.00 22.32 N ATOM 773 CA GLN A 50 -17.403 -10.236 -0.053 1.00 13.50 C ATOM 774 C GLN A 50 -17.447 -10.611 1.447 1.00 14.24 C ATOM 775 O GLN A 50 -18.511 -10.957 1.978 1.00 23.12 O ATOM 776 CB GLN A 50 -17.325 -11.512 -0.937 1.00 34.14 C ATOM 777 CG GLN A 50 -17.572 -11.263 -2.444 1.00 42.12 C ATOM 778 CD GLN A 50 -17.292 -12.483 -3.335 1.00 30.44 C ATOM 779 OE1 GLN A 50 -16.256 -13.250 -3.014 1.00 23.24 O flip ATOM 780 NE2 GLN A 50 -17.964 -12.702 -4.348 1.00 63.00 N flip ATOM 0 H GLN A 50 -15.496 -9.813 -0.839 1.00 22.32 H new ATOM 0 HA GLN A 50 -18.325 -9.701 -0.282 1.00 13.50 H new ATOM 0 HB2 GLN A 50 -16.342 -11.965 -0.813 1.00 34.14 H new ATOM 0 HB3 GLN A 50 -18.057 -12.234 -0.576 1.00 34.14 H new ATOM 0 HG2 GLN A 50 -18.607 -10.953 -2.585 1.00 42.12 H new ATOM 0 HG3 GLN A 50 -16.944 -10.435 -2.772 1.00 42.12 H new ATOM 0 HE21 GLN A 50 -18.755 -12.100 -4.575 1.00 63.00 H new ATOM 0 HE22 GLN A 50 -17.728 -13.485 -4.957 1.00 63.00 H new ATOM 789 N ALA A 51 -16.284 -10.546 2.116 1.00 71.34 N ATOM 790 CA ALA A 51 -16.177 -10.802 3.567 1.00 22.15 C ATOM 791 C ALA A 51 -16.669 -9.596 4.388 1.00 21.15 C ATOM 792 O ALA A 51 -17.237 -9.768 5.473 1.00 1.01 O ATOM 793 CB ALA A 51 -14.725 -11.147 3.940 1.00 34.11 C ATOM 0 H ALA A 51 -15.395 -10.316 1.672 1.00 71.34 H new ATOM 0 HA ALA A 51 -16.817 -11.651 3.806 1.00 22.15 H new ATOM 0 HB1 ALA A 51 -14.659 -11.333 5.012 1.00 34.11 H new ATOM 0 HB2 ALA A 51 -14.412 -12.038 3.397 1.00 34.11 H new ATOM 0 HB3 ALA A 51 -14.074 -10.314 3.676 1.00 34.11 H new ATOM 799 N THR A 52 -16.458 -8.383 3.853 1.00 13.44 N ATOM 800 CA THR A 52 -16.722 -7.119 4.566 1.00 43.01 C ATOM 801 C THR A 52 -17.966 -6.400 4.001 1.00 4.24 C ATOM 802 O THR A 52 -18.040 -5.160 4.006 1.00 71.43 O ATOM 803 CB THR A 52 -15.470 -6.185 4.481 1.00 44.00 C ATOM 804 OG1 THR A 52 -15.204 -5.862 3.102 1.00 54.23 O ATOM 805 CG2 THR A 52 -14.218 -6.838 5.108 1.00 11.42 C ATOM 0 H THR A 52 -16.097 -8.249 2.908 1.00 13.44 H new ATOM 0 HA THR A 52 -16.923 -7.357 5.611 1.00 43.01 H new ATOM 0 HB THR A 52 -15.691 -5.280 5.046 1.00 44.00 H new ATOM 0 HG1 THR A 52 -14.836 -6.648 2.647 1.00 54.23 H new ATOM 0 HG21 THR A 52 -13.372 -6.155 5.027 1.00 11.42 H new ATOM 0 HG22 THR A 52 -14.409 -7.056 6.159 1.00 11.42 H new ATOM 0 HG23 THR A 52 -13.988 -7.764 4.581 1.00 11.42 H new ATOM 813 N VAL A 53 -18.962 -7.195 3.570 1.00 1.10 N ATOM 814 CA VAL A 53 -20.235 -6.677 3.009 1.00 2.32 C ATOM 815 C VAL A 53 -21.036 -5.851 4.046 1.00 42.14 C ATOM 816 O VAL A 53 -21.800 -4.946 3.681 1.00 45.45 O ATOM 817 CB VAL A 53 -21.137 -7.837 2.444 1.00 43.20 C ATOM 818 CG1 VAL A 53 -20.529 -8.448 1.164 1.00 12.40 C ATOM 819 CG2 VAL A 53 -21.398 -8.937 3.502 1.00 62.13 C ATOM 0 H VAL A 53 -18.913 -8.213 3.598 1.00 1.10 H new ATOM 0 HA VAL A 53 -19.957 -6.017 2.187 1.00 2.32 H new ATOM 0 HB VAL A 53 -22.098 -7.392 2.188 1.00 43.20 H new ATOM 0 HG11 VAL A 53 -21.176 -9.246 0.799 1.00 12.40 H new ATOM 0 HG12 VAL A 53 -20.439 -7.676 0.400 1.00 12.40 H new ATOM 0 HG13 VAL A 53 -19.543 -8.854 1.388 1.00 12.40 H new ATOM 0 HG21 VAL A 53 -22.024 -9.717 3.069 1.00 62.13 H new ATOM 0 HG22 VAL A 53 -20.449 -9.369 3.820 1.00 62.13 H new ATOM 0 HG23 VAL A 53 -21.905 -8.501 4.363 1.00 62.13 H new ATOM 829 N ASP A 54 -20.852 -6.192 5.329 1.00 51.32 N ATOM 830 CA ASP A 54 -21.486 -5.504 6.470 1.00 44.40 C ATOM 831 C ASP A 54 -20.803 -4.143 6.731 1.00 35.41 C ATOM 832 O ASP A 54 -21.480 -3.138 6.992 1.00 2.30 O ATOM 833 CB ASP A 54 -21.396 -6.424 7.720 1.00 70.22 C ATOM 834 CG ASP A 54 -21.882 -5.786 9.039 1.00 63.05 C ATOM 835 OD1 ASP A 54 -23.090 -5.862 9.335 1.00 52.23 O ATOM 836 OD2 ASP A 54 -21.052 -5.223 9.792 1.00 74.21 O ATOM 0 H ASP A 54 -20.250 -6.965 5.611 1.00 51.32 H new ATOM 0 HA ASP A 54 -22.534 -5.304 6.245 1.00 44.40 H new ATOM 0 HB2 ASP A 54 -21.982 -7.324 7.532 1.00 70.22 H new ATOM 0 HB3 ASP A 54 -20.360 -6.738 7.847 1.00 70.22 H new ATOM 841 N ASN A 55 -19.461 -4.127 6.618 1.00 34.43 N ATOM 842 CA ASN A 55 -18.621 -2.978 6.996 1.00 42.45 C ATOM 843 C ASN A 55 -18.786 -1.817 5.995 1.00 35.25 C ATOM 844 O ASN A 55 -18.467 -1.961 4.812 1.00 72.14 O ATOM 845 CB ASN A 55 -17.139 -3.433 7.114 1.00 15.14 C ATOM 846 CG ASN A 55 -16.137 -2.343 7.536 1.00 63.42 C ATOM 847 OD1 ASN A 55 -14.938 -2.471 7.294 1.00 34.15 O ATOM 848 ND2 ASN A 55 -16.595 -1.263 8.156 1.00 35.41 N ATOM 0 H ASN A 55 -18.927 -4.918 6.259 1.00 34.43 H new ATOM 0 HA ASN A 55 -18.944 -2.604 7.967 1.00 42.45 H new ATOM 0 HB2 ASN A 55 -17.085 -4.249 7.835 1.00 15.14 H new ATOM 0 HB3 ASN A 55 -16.824 -3.837 6.152 1.00 15.14 H new ATOM 0 HD21 ASN A 55 -15.950 -0.525 8.439 1.00 35.41 H new ATOM 0 HD22 ASN A 55 -17.592 -1.171 8.350 1.00 35.41 H new ATOM 855 N ALA A 56 -19.278 -0.673 6.518 1.00 54.43 N ATOM 856 CA ALA A 56 -19.651 0.513 5.728 1.00 22.44 C ATOM 857 C ALA A 56 -18.463 1.084 4.928 1.00 52.42 C ATOM 858 O ALA A 56 -17.428 1.448 5.506 1.00 32.24 O ATOM 859 CB ALA A 56 -20.261 1.591 6.651 1.00 60.11 C ATOM 0 H ALA A 56 -19.428 -0.549 7.519 1.00 54.43 H new ATOM 0 HA ALA A 56 -20.398 0.201 4.998 1.00 22.44 H new ATOM 0 HB1 ALA A 56 -20.534 2.465 6.059 1.00 60.11 H new ATOM 0 HB2 ALA A 56 -21.150 1.191 7.139 1.00 60.11 H new ATOM 0 HB3 ALA A 56 -19.530 1.879 7.407 1.00 60.11 H new ATOM 865 N HIS A 57 -18.633 1.082 3.583 1.00 41.41 N ATOM 866 CA HIS A 57 -17.747 1.753 2.606 1.00 34.44 C ATOM 867 C HIS A 57 -16.334 1.138 2.554 1.00 43.01 C ATOM 868 O HIS A 57 -15.401 1.756 2.035 1.00 11.23 O ATOM 869 CB HIS A 57 -17.697 3.285 2.868 1.00 13.42 C ATOM 870 CG HIS A 57 -18.998 4.017 2.624 1.00 75.12 C ATOM 871 ND1 HIS A 57 -19.055 5.291 2.108 1.00 32.33 N ATOM 872 CD2 HIS A 57 -20.287 3.663 2.862 1.00 15.21 C ATOM 873 CE1 HIS A 57 -20.312 5.682 2.043 1.00 1.41 C ATOM 874 NE2 HIS A 57 -21.077 4.715 2.494 1.00 51.23 N ATOM 0 H HIS A 57 -19.413 0.599 3.138 1.00 41.41 H new ATOM 0 HA HIS A 57 -18.181 1.588 1.620 1.00 34.44 H new ATOM 0 HB2 HIS A 57 -17.391 3.452 3.901 1.00 13.42 H new ATOM 0 HB3 HIS A 57 -16.927 3.722 2.233 1.00 13.42 H new ATOM 0 HD2 HIS A 57 -20.626 2.721 3.268 1.00 15.21 H new ATOM 0 HE1 HIS A 57 -20.656 6.639 1.679 1.00 1.41 H new ATOM 0 HE2 HIS A 57 -22.095 4.744 2.559 1.00 51.23 H new ATOM 883 N ALA A 58 -16.208 -0.105 3.037 1.00 14.32 N ATOM 884 CA ALA A 58 -14.943 -0.850 3.009 1.00 0.32 C ATOM 885 C ALA A 58 -14.718 -1.460 1.614 1.00 50.05 C ATOM 886 O ALA A 58 -15.184 -2.569 1.320 1.00 1.05 O ATOM 887 CB ALA A 58 -14.921 -1.920 4.101 1.00 32.12 C ATOM 0 H ALA A 58 -16.980 -0.622 3.458 1.00 14.32 H new ATOM 0 HA ALA A 58 -14.123 -0.161 3.212 1.00 0.32 H new ATOM 0 HB1 ALA A 58 -13.975 -2.460 4.062 1.00 32.12 H new ATOM 0 HB2 ALA A 58 -15.029 -1.446 5.077 1.00 32.12 H new ATOM 0 HB3 ALA A 58 -15.744 -2.618 3.944 1.00 32.12 H new ATOM 893 N ARG A 59 -14.059 -0.677 0.740 1.00 75.31 N ATOM 894 CA ARG A 59 -13.709 -1.091 -0.636 1.00 32.43 C ATOM 895 C ARG A 59 -12.224 -1.422 -0.674 1.00 53.51 C ATOM 896 O ARG A 59 -11.371 -0.537 -0.524 1.00 51.55 O ATOM 897 CB ARG A 59 -14.055 -0.004 -1.708 1.00 5.22 C ATOM 898 CG ARG A 59 -15.534 0.042 -2.152 1.00 12.52 C ATOM 899 CD ARG A 59 -16.482 0.354 -0.995 1.00 13.13 C ATOM 900 NE ARG A 59 -17.898 0.265 -1.381 1.00 34.22 N ATOM 901 CZ ARG A 59 -18.865 -0.275 -0.623 1.00 42.51 C ATOM 902 NH1 ARG A 59 -18.577 -0.792 0.571 1.00 72.12 N ATOM 903 NH2 ARG A 59 -20.110 -0.299 -1.062 1.00 23.53 N ATOM 0 H ARG A 59 -13.751 0.268 0.968 1.00 75.31 H new ATOM 0 HA ARG A 59 -14.308 -1.966 -0.891 1.00 32.43 H new ATOM 0 HB2 ARG A 59 -13.782 0.974 -1.311 1.00 5.22 H new ATOM 0 HB3 ARG A 59 -13.434 -0.175 -2.588 1.00 5.22 H new ATOM 0 HG2 ARG A 59 -15.654 0.797 -2.929 1.00 12.52 H new ATOM 0 HG3 ARG A 59 -15.808 -0.916 -2.594 1.00 12.52 H new ATOM 0 HD2 ARG A 59 -16.289 -0.339 -0.176 1.00 13.13 H new ATOM 0 HD3 ARG A 59 -16.274 1.356 -0.621 1.00 13.13 H new ATOM 0 HE ARG A 59 -18.165 0.641 -2.291 1.00 34.22 H new ATOM 0 HH11 ARG A 59 -17.617 -0.779 0.914 1.00 72.12 H new ATOM 0 HH12 ARG A 59 -19.317 -1.201 1.142 1.00 72.12 H new ATOM 0 HH21 ARG A 59 -20.336 0.093 -1.976 1.00 23.53 H new ATOM 0 HH22 ARG A 59 -20.846 -0.709 -0.487 1.00 23.53 H new ATOM 917 N TYR A 60 -11.936 -2.711 -0.823 1.00 63.31 N ATOM 918 CA TYR A 60 -10.572 -3.225 -0.926 1.00 5.44 C ATOM 919 C TYR A 60 -10.215 -3.398 -2.395 1.00 2.43 C ATOM 920 O TYR A 60 -11.004 -3.935 -3.173 1.00 14.20 O ATOM 921 CB TYR A 60 -10.438 -4.557 -0.153 1.00 72.33 C ATOM 922 CG TYR A 60 -10.798 -4.396 1.326 1.00 45.51 C ATOM 923 CD1 TYR A 60 -9.855 -3.966 2.257 1.00 4.03 C ATOM 924 CD2 TYR A 60 -12.091 -4.633 1.776 1.00 23.30 C ATOM 925 CE1 TYR A 60 -10.185 -3.790 3.581 1.00 65.45 C ATOM 926 CE2 TYR A 60 -12.424 -4.452 3.096 1.00 74.42 C ATOM 927 CZ TYR A 60 -11.475 -4.033 3.994 1.00 51.34 C ATOM 928 OH TYR A 60 -11.823 -3.864 5.314 1.00 44.24 O ATOM 0 H TYR A 60 -12.650 -3.437 -0.876 1.00 63.31 H new ATOM 0 HA TYR A 60 -9.876 -2.516 -0.477 1.00 5.44 H new ATOM 0 HB2 TYR A 60 -11.087 -5.306 -0.605 1.00 72.33 H new ATOM 0 HB3 TYR A 60 -9.416 -4.926 -0.240 1.00 72.33 H new ATOM 0 HD1 TYR A 60 -8.844 -3.767 1.933 1.00 4.03 H new ATOM 0 HD2 TYR A 60 -12.845 -4.964 1.078 1.00 23.30 H new ATOM 0 HE1 TYR A 60 -9.438 -3.464 4.290 1.00 65.45 H new ATOM 0 HE2 TYR A 60 -13.434 -4.640 3.428 1.00 74.42 H new ATOM 0 HH TYR A 60 -11.130 -4.253 5.887 1.00 44.24 H new ATOM 938 N PHE A 61 -9.045 -2.883 -2.755 1.00 14.22 N ATOM 939 CA PHE A 61 -8.473 -2.980 -4.098 1.00 51.11 C ATOM 940 C PHE A 61 -6.985 -3.344 -3.958 1.00 15.12 C ATOM 941 O PHE A 61 -6.560 -3.896 -2.933 1.00 3.15 O ATOM 942 CB PHE A 61 -8.660 -1.646 -4.874 1.00 54.12 C ATOM 943 CG PHE A 61 -10.088 -1.322 -5.321 1.00 3.04 C ATOM 944 CD1 PHE A 61 -10.569 -1.783 -6.545 1.00 35.40 C ATOM 945 CD2 PHE A 61 -10.936 -0.537 -4.534 1.00 45.41 C ATOM 946 CE1 PHE A 61 -11.847 -1.470 -6.970 1.00 32.02 C ATOM 947 CE2 PHE A 61 -12.215 -0.227 -4.960 1.00 20.33 C ATOM 948 CZ PHE A 61 -12.669 -0.694 -6.176 1.00 31.45 C ATOM 0 H PHE A 61 -8.449 -2.371 -2.104 1.00 14.22 H new ATOM 0 HA PHE A 61 -8.985 -3.753 -4.671 1.00 51.11 H new ATOM 0 HB2 PHE A 61 -8.304 -0.830 -4.245 1.00 54.12 H new ATOM 0 HB3 PHE A 61 -8.021 -1.670 -5.757 1.00 54.12 H new ATOM 0 HD1 PHE A 61 -9.935 -2.393 -7.171 1.00 35.40 H new ATOM 0 HD2 PHE A 61 -10.588 -0.168 -3.581 1.00 45.41 H new ATOM 0 HE1 PHE A 61 -12.203 -1.832 -7.923 1.00 32.02 H new ATOM 0 HE2 PHE A 61 -12.858 0.381 -4.341 1.00 20.33 H new ATOM 0 HZ PHE A 61 -13.668 -0.453 -6.508 1.00 31.45 H new ATOM 958 N ILE A 62 -6.191 -3.052 -5.003 1.00 61.44 N ATOM 959 CA ILE A 62 -4.791 -3.487 -5.100 1.00 52.44 C ATOM 960 C ILE A 62 -3.957 -2.302 -5.622 1.00 42.14 C ATOM 961 O ILE A 62 -4.511 -1.376 -6.195 1.00 31.33 O ATOM 962 CB ILE A 62 -4.652 -4.728 -6.077 1.00 3.12 C ATOM 963 CG1 ILE A 62 -5.781 -5.786 -5.846 1.00 15.30 C ATOM 964 CG2 ILE A 62 -3.289 -5.404 -5.907 1.00 34.00 C ATOM 965 CD1 ILE A 62 -5.697 -7.012 -6.728 1.00 4.22 C ATOM 0 H ILE A 62 -6.505 -2.506 -5.805 1.00 61.44 H new ATOM 0 HA ILE A 62 -4.434 -3.799 -4.119 1.00 52.44 H new ATOM 0 HB ILE A 62 -4.746 -4.340 -7.091 1.00 3.12 H new ATOM 0 HG12 ILE A 62 -5.753 -6.104 -4.804 1.00 15.30 H new ATOM 0 HG13 ILE A 62 -6.746 -5.306 -6.007 1.00 15.30 H new ATOM 0 HG21 ILE A 62 -3.216 -6.253 -6.587 1.00 34.00 H new ATOM 0 HG22 ILE A 62 -2.498 -4.689 -6.133 1.00 34.00 H new ATOM 0 HG23 ILE A 62 -3.181 -5.752 -4.880 1.00 34.00 H new ATOM 0 HD11 ILE A 62 -6.521 -7.686 -6.494 1.00 4.22 H new ATOM 0 HD12 ILE A 62 -5.759 -6.713 -7.774 1.00 4.22 H new ATOM 0 HD13 ILE A 62 -4.750 -7.522 -6.552 1.00 4.22 H new ATOM 977 N ILE A 63 -2.635 -2.304 -5.375 1.00 32.23 N ATOM 978 CA ILE A 63 -1.686 -1.331 -5.972 1.00 72.04 C ATOM 979 C ILE A 63 -0.443 -2.101 -6.446 1.00 24.34 C ATOM 980 O ILE A 63 -0.082 -3.127 -5.863 1.00 53.23 O ATOM 981 CB ILE A 63 -1.253 -0.183 -4.968 1.00 63.43 C ATOM 982 CG1 ILE A 63 -2.501 0.489 -4.319 1.00 44.22 C ATOM 983 CG2 ILE A 63 -0.372 0.884 -5.682 1.00 20.14 C ATOM 984 CD1 ILE A 63 -2.193 1.539 -3.270 1.00 54.03 C ATOM 0 H ILE A 63 -2.188 -2.980 -4.755 1.00 32.23 H new ATOM 0 HA ILE A 63 -2.191 -0.837 -6.802 1.00 72.04 H new ATOM 0 HB ILE A 63 -0.659 -0.642 -4.178 1.00 63.43 H new ATOM 0 HG12 ILE A 63 -3.098 0.949 -5.107 1.00 44.22 H new ATOM 0 HG13 ILE A 63 -3.117 -0.287 -3.864 1.00 44.22 H new ATOM 0 HG21 ILE A 63 -0.090 1.659 -4.969 1.00 20.14 H new ATOM 0 HG22 ILE A 63 0.526 0.409 -6.076 1.00 20.14 H new ATOM 0 HG23 ILE A 63 -0.935 1.332 -6.501 1.00 20.14 H new ATOM 0 HD11 ILE A 63 -3.125 1.947 -2.879 1.00 54.03 H new ATOM 0 HD12 ILE A 63 -1.626 1.086 -2.457 1.00 54.03 H new ATOM 0 HD13 ILE A 63 -1.606 2.341 -3.719 1.00 54.03 H new ATOM 996 N HIS A 64 0.194 -1.604 -7.520 1.00 34.24 N ATOM 997 CA HIS A 64 1.437 -2.193 -8.052 1.00 73.11 C ATOM 998 C HIS A 64 2.592 -1.953 -7.057 1.00 1.35 C ATOM 999 O HIS A 64 2.705 -0.856 -6.502 1.00 55.43 O ATOM 1000 CB HIS A 64 1.783 -1.607 -9.458 1.00 4.41 C ATOM 1001 CG HIS A 64 2.195 -0.150 -9.487 1.00 42.44 C ATOM 1002 ND1 HIS A 64 3.423 0.293 -9.040 1.00 21.11 N ATOM 1003 CD2 HIS A 64 1.545 0.950 -9.917 1.00 63.41 C ATOM 1004 CE1 HIS A 64 3.502 1.595 -9.191 1.00 32.22 C ATOM 1005 NE2 HIS A 64 2.377 2.026 -9.725 1.00 20.33 N ATOM 0 H HIS A 64 -0.134 -0.790 -8.040 1.00 34.24 H new ATOM 0 HA HIS A 64 1.290 -3.266 -8.174 1.00 73.11 H new ATOM 0 HB2 HIS A 64 2.589 -2.201 -9.889 1.00 4.41 H new ATOM 0 HB3 HIS A 64 0.915 -1.731 -10.105 1.00 4.41 H new ATOM 0 HD1 HIS A 64 4.157 -0.300 -8.652 1.00 21.11 H new ATOM 0 HD2 HIS A 64 0.550 0.980 -10.336 1.00 63.41 H new ATOM 0 HE1 HIS A 64 4.348 2.210 -8.922 1.00 32.22 H new ATOM 1014 N ALA A 65 3.442 -2.964 -6.852 1.00 44.13 N ATOM 1015 CA ALA A 65 4.561 -2.883 -5.887 1.00 73.33 C ATOM 1016 C ALA A 65 5.839 -3.534 -6.438 1.00 61.23 C ATOM 1017 O ALA A 65 6.794 -3.753 -5.687 1.00 74.22 O ATOM 1018 CB ALA A 65 4.136 -3.522 -4.558 1.00 32.32 C ATOM 0 H ALA A 65 3.382 -3.857 -7.341 1.00 44.13 H new ATOM 0 HA ALA A 65 4.797 -1.833 -5.717 1.00 73.33 H new ATOM 0 HB1 ALA A 65 4.959 -3.463 -3.846 1.00 32.32 H new ATOM 0 HB2 ALA A 65 3.272 -2.991 -4.159 1.00 32.32 H new ATOM 0 HB3 ALA A 65 3.874 -4.567 -4.724 1.00 32.32 H new ATOM 1024 N HIS A 66 5.864 -3.813 -7.765 1.00 11.44 N ATOM 1025 CA HIS A 66 7.061 -4.373 -8.440 1.00 2.21 C ATOM 1026 C HIS A 66 8.159 -3.300 -8.496 1.00 51.33 C ATOM 1027 O HIS A 66 9.349 -3.594 -8.377 1.00 14.40 O ATOM 1028 CB HIS A 66 6.726 -4.884 -9.867 1.00 13.43 C ATOM 1029 CG HIS A 66 7.693 -5.911 -10.419 1.00 53.15 C ATOM 1030 ND1 HIS A 66 9.058 -5.723 -10.479 1.00 74.23 N ATOM 1031 CD2 HIS A 66 7.478 -7.159 -10.898 1.00 11.52 C ATOM 1032 CE1 HIS A 66 9.629 -6.804 -10.970 1.00 12.13 C ATOM 1033 NE2 HIS A 66 8.692 -7.685 -11.227 1.00 24.23 N ATOM 0 H HIS A 66 5.071 -3.660 -8.387 1.00 11.44 H new ATOM 0 HA HIS A 66 7.414 -5.229 -7.866 1.00 2.21 H new ATOM 0 HB2 HIS A 66 5.726 -5.317 -9.857 1.00 13.43 H new ATOM 0 HB3 HIS A 66 6.698 -4.031 -10.545 1.00 13.43 H new ATOM 0 HD1 HIS A 66 9.549 -4.878 -10.188 1.00 74.23 H new ATOM 0 HD2 HIS A 66 6.521 -7.648 -11.001 1.00 11.52 H new ATOM 0 HE1 HIS A 66 10.688 -6.941 -11.133 1.00 12.13 H new ATOM 1042 N LYS A 67 7.716 -2.063 -8.726 1.00 64.12 N ATOM 1043 CA LYS A 67 8.519 -0.862 -8.539 1.00 24.30 C ATOM 1044 C LYS A 67 7.723 0.090 -7.633 1.00 72.13 C ATOM 1045 O LYS A 67 6.541 0.371 -7.896 1.00 40.30 O ATOM 1046 CB LYS A 67 8.851 -0.166 -9.889 1.00 2.21 C ATOM 1047 CG LYS A 67 9.651 1.152 -9.722 1.00 41.23 C ATOM 1048 CD LYS A 67 9.783 1.971 -11.024 1.00 55.35 C ATOM 1049 CE LYS A 67 10.440 3.337 -10.771 1.00 21.24 C ATOM 1050 NZ LYS A 67 10.523 4.152 -12.008 1.00 53.14 N ATOM 0 H LYS A 67 6.770 -1.868 -9.054 1.00 64.12 H new ATOM 0 HA LYS A 67 9.473 -1.133 -8.085 1.00 24.30 H new ATOM 0 HB2 LYS A 67 9.423 -0.853 -10.512 1.00 2.21 H new ATOM 0 HB3 LYS A 67 7.922 0.046 -10.418 1.00 2.21 H new ATOM 0 HG2 LYS A 67 9.165 1.767 -8.965 1.00 41.23 H new ATOM 0 HG3 LYS A 67 10.648 0.916 -9.350 1.00 41.23 H new ATOM 0 HD2 LYS A 67 10.375 1.411 -11.748 1.00 55.35 H new ATOM 0 HD3 LYS A 67 8.796 2.117 -11.464 1.00 55.35 H new ATOM 0 HE2 LYS A 67 9.869 3.880 -10.017 1.00 21.24 H new ATOM 0 HE3 LYS A 67 11.441 3.188 -10.367 1.00 21.24 H new ATOM 0 HZ1 LYS A 67 10.972 5.065 -11.793 1.00 53.14 H new ATOM 0 HZ2 LYS A 67 11.089 3.647 -12.719 1.00 53.14 H new ATOM 0 HZ3 LYS A 67 9.566 4.316 -12.380 1.00 53.14 H new ATOM 1064 N LEU A 68 8.366 0.523 -6.549 1.00 3.11 N ATOM 1065 CA LEU A 68 7.860 1.546 -5.633 1.00 74.31 C ATOM 1066 C LEU A 68 8.235 2.953 -6.160 1.00 51.23 C ATOM 1067 O LEU A 68 9.150 3.090 -6.985 1.00 30.32 O ATOM 1068 CB LEU A 68 8.480 1.308 -4.236 1.00 11.45 C ATOM 1069 CG LEU A 68 8.074 0.012 -3.450 1.00 22.24 C ATOM 1070 CD1 LEU A 68 6.569 -0.033 -3.178 1.00 64.54 C ATOM 1071 CD2 LEU A 68 8.551 -1.293 -4.117 1.00 71.53 C ATOM 0 H LEU A 68 9.280 0.162 -6.276 1.00 3.11 H new ATOM 0 HA LEU A 68 6.774 1.485 -5.564 1.00 74.31 H new ATOM 0 HB2 LEU A 68 9.564 1.301 -4.351 1.00 11.45 H new ATOM 0 HB3 LEU A 68 8.231 2.166 -3.612 1.00 11.45 H new ATOM 0 HG LEU A 68 8.598 0.075 -2.496 1.00 22.24 H new ATOM 0 HD11 LEU A 68 6.325 -0.944 -2.632 1.00 64.54 H new ATOM 0 HD12 LEU A 68 6.281 0.834 -2.584 1.00 64.54 H new ATOM 0 HD13 LEU A 68 6.028 -0.021 -4.124 1.00 64.54 H new ATOM 0 HD21 LEU A 68 8.233 -2.146 -3.517 1.00 71.53 H new ATOM 0 HD22 LEU A 68 8.119 -1.371 -5.115 1.00 71.53 H new ATOM 0 HD23 LEU A 68 9.638 -1.287 -4.192 1.00 71.53 H new ATOM 1083 N LEU A 69 7.517 3.990 -5.689 1.00 63.00 N ATOM 1084 CA LEU A 69 7.803 5.387 -6.049 1.00 71.53 C ATOM 1085 C LEU A 69 9.016 5.888 -5.250 1.00 50.13 C ATOM 1086 O LEU A 69 8.923 6.091 -4.033 1.00 31.43 O ATOM 1087 CB LEU A 69 6.559 6.283 -5.797 1.00 61.31 C ATOM 1088 CG LEU A 69 5.307 5.942 -6.663 1.00 64.30 C ATOM 1089 CD1 LEU A 69 4.083 6.790 -6.250 1.00 0.22 C ATOM 1090 CD2 LEU A 69 5.624 6.092 -8.168 1.00 75.32 C ATOM 0 H LEU A 69 6.728 3.882 -5.052 1.00 63.00 H new ATOM 0 HA LEU A 69 8.039 5.441 -7.112 1.00 71.53 H new ATOM 0 HB2 LEU A 69 6.284 6.208 -4.745 1.00 61.31 H new ATOM 0 HB3 LEU A 69 6.836 7.321 -5.981 1.00 61.31 H new ATOM 0 HG LEU A 69 5.047 4.899 -6.480 1.00 64.30 H new ATOM 0 HD11 LEU A 69 3.230 6.525 -6.874 1.00 0.22 H new ATOM 0 HD12 LEU A 69 3.842 6.596 -5.205 1.00 0.22 H new ATOM 0 HD13 LEU A 69 4.313 7.848 -6.379 1.00 0.22 H new ATOM 0 HD21 LEU A 69 4.737 5.849 -8.753 1.00 75.32 H new ATOM 0 HD22 LEU A 69 5.926 7.119 -8.376 1.00 75.32 H new ATOM 0 HD23 LEU A 69 6.433 5.414 -8.439 1.00 75.32 H new ATOM 1102 N ASP A 70 10.157 6.016 -5.945 1.00 70.32 N ATOM 1103 CA ASP A 70 11.418 6.515 -5.373 1.00 51.43 C ATOM 1104 C ASP A 70 11.578 8.034 -5.653 1.00 61.41 C ATOM 1105 O ASP A 70 11.910 8.437 -6.765 1.00 2.45 O ATOM 1106 CB ASP A 70 12.630 5.696 -5.919 1.00 60.24 C ATOM 1107 CG ASP A 70 12.804 5.746 -7.458 1.00 72.42 C ATOM 1108 OD1 ASP A 70 11.904 5.266 -8.187 1.00 13.40 O ATOM 1109 OD2 ASP A 70 13.840 6.259 -7.946 1.00 42.42 O ATOM 0 H ASP A 70 10.231 5.773 -6.933 1.00 70.32 H new ATOM 0 HA ASP A 70 11.391 6.380 -4.292 1.00 51.43 H new ATOM 0 HB2 ASP A 70 13.542 6.067 -5.452 1.00 60.24 H new ATOM 0 HB3 ASP A 70 12.516 4.656 -5.613 1.00 60.24 H new ATOM 1114 N PRO A 71 11.316 8.918 -4.642 1.00 72.42 N ATOM 1115 CA PRO A 71 11.517 10.393 -4.780 1.00 1.22 C ATOM 1116 C PRO A 71 13.000 10.794 -4.916 1.00 63.40 C ATOM 1117 O PRO A 71 13.315 11.933 -5.296 1.00 44.45 O ATOM 1118 CB PRO A 71 10.907 10.967 -3.473 1.00 13.23 C ATOM 1119 CG PRO A 71 10.059 9.859 -2.932 1.00 1.53 C ATOM 1120 CD PRO A 71 10.766 8.588 -3.309 1.00 73.13 C ATOM 0 HA PRO A 71 11.051 10.776 -5.688 1.00 1.22 H new ATOM 0 HB2 PRO A 71 11.685 11.252 -2.765 1.00 13.23 H new ATOM 0 HB3 PRO A 71 10.313 11.859 -3.671 1.00 13.23 H new ATOM 0 HG2 PRO A 71 9.950 9.941 -1.851 1.00 1.53 H new ATOM 0 HG3 PRO A 71 9.056 9.890 -3.357 1.00 1.53 H new ATOM 0 HD2 PRO A 71 11.551 8.332 -2.597 1.00 73.13 H new ATOM 0 HD3 PRO A 71 10.083 7.739 -3.349 1.00 73.13 H new ATOM 1128 N SER A 72 13.889 9.841 -4.580 1.00 51.10 N ATOM 1129 CA SER A 72 15.343 10.004 -4.668 1.00 22.11 C ATOM 1130 C SER A 72 15.777 10.305 -6.119 1.00 42.13 C ATOM 1131 O SER A 72 16.624 11.173 -6.352 1.00 61.23 O ATOM 1132 CB SER A 72 16.024 8.723 -4.140 1.00 40.12 C ATOM 1133 OG SER A 72 15.510 7.568 -4.788 1.00 44.04 O ATOM 0 H SER A 72 13.608 8.923 -4.235 1.00 51.10 H new ATOM 0 HA SER A 72 15.650 10.853 -4.056 1.00 22.11 H new ATOM 0 HB2 SER A 72 17.100 8.786 -4.302 1.00 40.12 H new ATOM 0 HB3 SER A 72 15.867 8.641 -3.064 1.00 40.12 H new ATOM 0 HG SER A 72 15.958 6.770 -4.438 1.00 44.04 H new ATOM 1227 N GLN B 105 -8.216 14.509 0.371 1.00 51.53 N ATOM 1228 CA GLN B 105 -7.239 13.869 1.281 1.00 13.21 C ATOM 1229 C GLN B 105 -6.461 12.778 0.533 1.00 11.44 C ATOM 1230 O GLN B 105 -5.448 12.285 1.026 1.00 44.45 O ATOM 1231 CB GLN B 105 -7.931 13.285 2.559 1.00 62.01 C ATOM 1232 CG GLN B 105 -9.242 12.465 2.371 1.00 73.22 C ATOM 1233 CD GLN B 105 -9.176 11.314 1.353 1.00 34.53 C ATOM 1234 OE1 GLN B 105 -9.609 11.450 0.214 1.00 43.21 O ATOM 1235 NE2 GLN B 105 -8.618 10.184 1.739 1.00 44.32 N ATOM 0 HA GLN B 105 -6.540 14.635 1.617 1.00 13.21 H new ATOM 0 HB2 GLN B 105 -7.208 12.647 3.068 1.00 62.01 H new ATOM 0 HB3 GLN B 105 -8.150 14.116 3.229 1.00 62.01 H new ATOM 0 HG2 GLN B 105 -9.531 12.053 3.338 1.00 73.22 H new ATOM 0 HG3 GLN B 105 -10.034 13.149 2.066 1.00 73.22 H new ATOM 0 HE21 GLN B 105 -8.263 10.089 2.691 1.00 44.32 H new ATOM 0 HE22 GLN B 105 -8.541 9.404 1.086 1.00 44.32 H new ATOM 1244 N LEU B 106 -6.996 12.392 -0.644 1.00 21.11 N ATOM 1245 CA LEU B 106 -6.484 11.292 -1.461 1.00 24.32 C ATOM 1246 C LEU B 106 -5.100 11.660 -2.017 1.00 53.25 C ATOM 1247 O LEU B 106 -4.922 12.737 -2.601 1.00 41.43 O ATOM 1248 CB LEU B 106 -7.495 10.990 -2.595 1.00 50.33 C ATOM 1249 CG LEU B 106 -7.293 9.657 -3.362 1.00 44.32 C ATOM 1250 CD1 LEU B 106 -7.480 8.434 -2.444 1.00 72.13 C ATOM 1251 CD2 LEU B 106 -8.208 9.579 -4.599 1.00 53.32 C ATOM 0 H LEU B 106 -7.810 12.850 -1.053 1.00 21.11 H new ATOM 0 HA LEU B 106 -6.369 10.392 -0.856 1.00 24.32 H new ATOM 0 HB2 LEU B 106 -8.498 10.990 -2.168 1.00 50.33 H new ATOM 0 HB3 LEU B 106 -7.455 11.808 -3.315 1.00 50.33 H new ATOM 0 HG LEU B 106 -6.261 9.639 -3.713 1.00 44.32 H new ATOM 0 HD11 LEU B 106 -7.330 7.521 -3.020 1.00 72.13 H new ATOM 0 HD12 LEU B 106 -6.754 8.474 -1.632 1.00 72.13 H new ATOM 0 HD13 LEU B 106 -8.488 8.441 -2.030 1.00 72.13 H new ATOM 0 HD21 LEU B 106 -8.043 8.633 -5.115 1.00 53.32 H new ATOM 0 HD22 LEU B 106 -9.250 9.644 -4.286 1.00 53.32 H new ATOM 0 HD23 LEU B 106 -7.980 10.405 -5.273 1.00 53.32 H new ATOM 1263 N LEU B 107 -4.134 10.758 -1.822 1.00 54.23 N ATOM 1264 CA LEU B 107 -2.707 11.062 -1.996 1.00 41.45 C ATOM 1265 C LEU B 107 -1.900 9.772 -2.216 1.00 22.41 C ATOM 1266 O LEU B 107 -2.472 8.713 -2.488 1.00 15.20 O ATOM 1267 CB LEU B 107 -2.194 11.931 -0.776 1.00 61.53 C ATOM 1268 CG LEU B 107 -2.070 11.296 0.691 1.00 13.44 C ATOM 1269 CD1 LEU B 107 -3.049 10.137 0.992 1.00 42.15 C ATOM 1270 CD2 LEU B 107 -0.622 10.898 1.039 1.00 35.02 C ATOM 0 H LEU B 107 -4.317 9.795 -1.539 1.00 54.23 H new ATOM 0 HA LEU B 107 -2.560 11.661 -2.895 1.00 41.45 H new ATOM 0 HB2 LEU B 107 -1.208 12.310 -1.045 1.00 61.53 H new ATOM 0 HB3 LEU B 107 -2.856 12.793 -0.697 1.00 61.53 H new ATOM 0 HG LEU B 107 -2.375 12.110 1.349 1.00 13.44 H new ATOM 0 HD11 LEU B 107 -2.885 9.777 2.008 1.00 42.15 H new ATOM 0 HD12 LEU B 107 -4.075 10.492 0.894 1.00 42.15 H new ATOM 0 HD13 LEU B 107 -2.878 9.324 0.287 1.00 42.15 H new ATOM 0 HD21 LEU B 107 -0.593 10.473 2.042 1.00 35.02 H new ATOM 0 HD22 LEU B 107 -0.265 10.159 0.322 1.00 35.02 H new ATOM 0 HD23 LEU B 107 0.017 11.780 0.999 1.00 35.02 H new ATOM 1282 N HIS B 108 -0.569 9.888 -2.147 1.00 32.31 N ATOM 1283 CA HIS B 108 0.350 8.750 -2.277 1.00 52.02 C ATOM 1284 C HIS B 108 0.728 8.225 -0.883 1.00 12.42 C ATOM 1285 O HIS B 108 1.550 8.845 -0.207 1.00 70.42 O ATOM 1286 CB HIS B 108 1.621 9.184 -3.054 1.00 71.02 C ATOM 1287 CG HIS B 108 1.400 9.525 -4.502 1.00 21.43 C ATOM 1288 ND1 HIS B 108 2.440 9.676 -5.396 1.00 41.11 N ATOM 1289 CD2 HIS B 108 0.269 9.748 -5.209 1.00 11.54 C ATOM 1290 CE1 HIS B 108 1.957 9.978 -6.580 1.00 41.31 C ATOM 1291 NE2 HIS B 108 0.646 10.024 -6.492 1.00 13.34 N ATOM 0 H HIS B 108 -0.096 10.779 -1.999 1.00 32.31 H new ATOM 0 HA HIS B 108 -0.142 7.951 -2.831 1.00 52.02 H new ATOM 0 HB2 HIS B 108 2.054 10.051 -2.555 1.00 71.02 H new ATOM 0 HB3 HIS B 108 2.356 8.381 -2.994 1.00 71.02 H new ATOM 0 HD2 HIS B 108 -0.742 9.714 -4.830 1.00 11.54 H new ATOM 0 HE1 HIS B 108 2.538 10.158 -7.473 1.00 41.31 H new ATOM 0 HE2 HIS B 108 0.010 10.233 -7.262 1.00 13.34 H new ATOM 1300 N ILE B 109 0.109 7.105 -0.447 1.00 32.42 N ATOM 1301 CA ILE B 109 0.402 6.496 0.877 1.00 25.23 C ATOM 1302 C ILE B 109 1.853 5.984 0.933 1.00 75.14 C ATOM 1303 O ILE B 109 2.473 5.717 -0.096 1.00 32.50 O ATOM 1304 CB ILE B 109 -0.578 5.311 1.226 1.00 64.44 C ATOM 1305 CG1 ILE B 109 -0.458 4.166 0.169 1.00 43.52 C ATOM 1306 CG2 ILE B 109 -2.029 5.824 1.358 1.00 64.21 C ATOM 1307 CD1 ILE B 109 -1.352 2.957 0.391 1.00 53.00 C ATOM 0 H ILE B 109 -0.595 6.603 -0.988 1.00 32.42 H new ATOM 0 HA ILE B 109 0.257 7.284 1.616 1.00 25.23 H new ATOM 0 HB ILE B 109 -0.291 4.894 2.191 1.00 64.44 H new ATOM 0 HG12 ILE B 109 -0.680 4.581 -0.814 1.00 43.52 H new ATOM 0 HG13 ILE B 109 0.578 3.827 0.145 1.00 43.52 H new ATOM 0 HG21 ILE B 109 -2.689 4.991 1.599 1.00 64.21 H new ATOM 0 HG22 ILE B 109 -2.081 6.569 2.152 1.00 64.21 H new ATOM 0 HG23 ILE B 109 -2.343 6.275 0.416 1.00 64.21 H new ATOM 0 HD11 ILE B 109 -1.183 2.229 -0.402 1.00 53.00 H new ATOM 0 HD12 ILE B 109 -1.119 2.504 1.355 1.00 53.00 H new ATOM 0 HD13 ILE B 109 -2.396 3.270 0.380 1.00 53.00 H new ATOM 1319 N VAL B 110 2.364 5.817 2.145 1.00 62.13 N ATOM 1320 CA VAL B 110 3.770 5.461 2.391 1.00 51.12 C ATOM 1321 C VAL B 110 3.898 3.986 2.791 1.00 5.41 C ATOM 1322 O VAL B 110 3.156 3.485 3.645 1.00 71.23 O ATOM 1323 CB VAL B 110 4.411 6.404 3.479 1.00 33.32 C ATOM 1324 CG1 VAL B 110 4.859 7.728 2.848 1.00 63.54 C ATOM 1325 CG2 VAL B 110 3.422 6.670 4.644 1.00 20.22 C ATOM 0 H VAL B 110 1.816 5.924 2.998 1.00 62.13 H new ATOM 0 HA VAL B 110 4.322 5.605 1.462 1.00 51.12 H new ATOM 0 HB VAL B 110 5.285 5.897 3.887 1.00 33.32 H new ATOM 0 HG11 VAL B 110 5.299 8.366 3.615 1.00 63.54 H new ATOM 0 HG12 VAL B 110 5.599 7.530 2.073 1.00 63.54 H new ATOM 0 HG13 VAL B 110 3.998 8.231 2.408 1.00 63.54 H new ATOM 0 HG21 VAL B 110 3.893 7.323 5.379 1.00 20.22 H new ATOM 0 HG22 VAL B 110 2.523 7.148 4.256 1.00 20.22 H new ATOM 0 HG23 VAL B 110 3.155 5.725 5.117 1.00 20.22 H new ATOM 1335 N VAL B 111 4.852 3.306 2.143 1.00 25.43 N ATOM 1336 CA VAL B 111 5.141 1.875 2.337 1.00 72.12 C ATOM 1337 C VAL B 111 6.669 1.657 2.341 1.00 44.52 C ATOM 1338 O VAL B 111 7.442 2.560 2.001 1.00 52.31 O ATOM 1339 CB VAL B 111 4.483 0.977 1.208 1.00 35.33 C ATOM 1340 CG1 VAL B 111 2.936 1.023 1.251 1.00 1.23 C ATOM 1341 CG2 VAL B 111 5.008 1.371 -0.194 1.00 20.42 C ATOM 0 H VAL B 111 5.461 3.744 1.452 1.00 25.43 H new ATOM 0 HA VAL B 111 4.711 1.575 3.293 1.00 72.12 H new ATOM 0 HB VAL B 111 4.780 -0.052 1.409 1.00 35.33 H new ATOM 0 HG11 VAL B 111 2.531 0.393 0.459 1.00 1.23 H new ATOM 0 HG12 VAL B 111 2.588 0.659 2.218 1.00 1.23 H new ATOM 0 HG13 VAL B 111 2.598 2.049 1.106 1.00 1.23 H new ATOM 0 HG21 VAL B 111 4.540 0.739 -0.949 1.00 20.42 H new ATOM 0 HG22 VAL B 111 4.765 2.415 -0.393 1.00 20.42 H new ATOM 0 HG23 VAL B 111 6.089 1.237 -0.228 1.00 20.42 H new ATOM 1351 N GLY B 112 7.089 0.466 2.764 1.00 4.21 N ATOM 1352 CA GLY B 112 8.483 0.045 2.656 1.00 31.13 C ATOM 1353 C GLY B 112 8.710 -1.290 3.328 1.00 24.31 C ATOM 1354 O GLY B 112 7.941 -2.230 3.113 1.00 52.23 O ATOM 0 H GLY B 112 6.476 -0.230 3.189 1.00 4.21 H new ATOM 0 HA2 GLY B 112 8.764 -0.023 1.605 1.00 31.13 H new ATOM 0 HA3 GLY B 112 9.128 0.797 3.110 1.00 31.13 H new ATOM 1358 N GLY B 113 9.773 -1.377 4.132 1.00 55.21 N ATOM 1359 CA GLY B 113 10.113 -2.595 4.864 1.00 21.21 C ATOM 1360 C GLY B 113 11.461 -3.101 4.418 1.00 13.12 C ATOM 1361 O GLY B 113 12.173 -2.393 3.691 1.00 34.13 O ATOM 0 H GLY B 113 10.420 -0.605 4.292 1.00 55.21 H new ATOM 0 HA2 GLY B 113 10.126 -2.394 5.935 1.00 21.21 H new ATOM 0 HA3 GLY B 113 9.353 -3.357 4.692 1.00 21.21 H new ATOM 1365 N GLU B 114 11.827 -4.318 4.836 1.00 2.33 N ATOM 1366 CA GLU B 114 13.090 -4.926 4.410 1.00 63.34 C ATOM 1367 C GLU B 114 12.941 -5.542 3.019 1.00 3.42 C ATOM 1368 O GLU B 114 12.009 -6.306 2.743 1.00 64.20 O ATOM 1369 CB GLU B 114 13.642 -5.961 5.424 1.00 61.12 C ATOM 1370 CG GLU B 114 14.283 -5.317 6.674 1.00 45.41 C ATOM 1371 CD GLU B 114 15.173 -6.288 7.469 1.00 3.44 C ATOM 1372 OE1 GLU B 114 14.641 -7.253 8.046 1.00 62.02 O ATOM 1373 OE2 GLU B 114 16.416 -6.096 7.493 1.00 25.24 O ATOM 0 H GLU B 114 11.270 -4.897 5.465 1.00 2.33 H new ATOM 0 HA GLU B 114 13.828 -4.125 4.368 1.00 63.34 H new ATOM 0 HB2 GLU B 114 12.831 -6.618 5.739 1.00 61.12 H new ATOM 0 HB3 GLU B 114 14.383 -6.586 4.926 1.00 61.12 H new ATOM 0 HG2 GLU B 114 14.879 -4.458 6.367 1.00 45.41 H new ATOM 0 HG3 GLU B 114 13.494 -4.941 7.326 1.00 45.41 H new ATOM 1380 N LEU B 115 13.864 -5.131 2.158 1.00 33.21 N ATOM 1381 CA LEU B 115 14.081 -5.669 0.812 1.00 32.11 C ATOM 1382 C LEU B 115 15.138 -6.792 0.922 1.00 1.12 C ATOM 1383 O LEU B 115 15.765 -6.954 1.974 1.00 23.03 O ATOM 1384 CB LEU B 115 14.568 -4.516 -0.134 1.00 43.10 C ATOM 1385 CG LEU B 115 13.486 -3.493 -0.659 1.00 25.45 C ATOM 1386 CD1 LEU B 115 12.476 -4.159 -1.603 1.00 10.33 C ATOM 1387 CD2 LEU B 115 12.748 -2.764 0.481 1.00 4.45 C ATOM 0 H LEU B 115 14.514 -4.379 2.386 1.00 33.21 H new ATOM 0 HA LEU B 115 13.162 -6.077 0.392 1.00 32.11 H new ATOM 0 HB2 LEU B 115 15.336 -3.951 0.394 1.00 43.10 H new ATOM 0 HB3 LEU B 115 15.047 -4.972 -1.000 1.00 43.10 H new ATOM 0 HG LEU B 115 14.042 -2.743 -1.222 1.00 25.45 H new ATOM 0 HD11 LEU B 115 11.750 -3.419 -1.940 1.00 10.33 H new ATOM 0 HD12 LEU B 115 13.001 -4.571 -2.465 1.00 10.33 H new ATOM 0 HD13 LEU B 115 11.959 -4.960 -1.076 1.00 10.33 H new ATOM 0 HD21 LEU B 115 12.017 -2.074 0.059 1.00 4.45 H new ATOM 0 HD22 LEU B 115 12.237 -3.494 1.109 1.00 4.45 H new ATOM 0 HD23 LEU B 115 13.467 -2.207 1.082 1.00 4.45 H new ATOM 1399 N LYS B 116 15.316 -7.599 -0.129 1.00 65.15 N ATOM 1400 CA LYS B 116 16.375 -8.635 -0.134 1.00 63.34 C ATOM 1401 C LYS B 116 17.756 -7.982 -0.288 1.00 2.31 C ATOM 1402 O LYS B 116 18.689 -8.284 0.458 1.00 23.34 O ATOM 1403 CB LYS B 116 16.160 -9.663 -1.262 1.00 15.35 C ATOM 1404 CG LYS B 116 14.877 -10.503 -1.138 1.00 52.40 C ATOM 1405 CD LYS B 116 14.775 -11.531 -2.277 1.00 31.32 C ATOM 1406 CE LYS B 116 13.485 -12.345 -2.240 1.00 20.23 C ATOM 1407 NZ LYS B 116 13.351 -13.177 -3.460 1.00 14.01 N ATOM 0 H LYS B 116 14.754 -7.563 -0.979 1.00 65.15 H new ATOM 0 HA LYS B 116 16.323 -9.161 0.819 1.00 63.34 H new ATOM 0 HB2 LYS B 116 16.140 -9.135 -2.216 1.00 15.35 H new ATOM 0 HB3 LYS B 116 17.017 -10.337 -1.288 1.00 15.35 H new ATOM 0 HG2 LYS B 116 14.867 -11.018 -0.177 1.00 52.40 H new ATOM 0 HG3 LYS B 116 14.006 -9.847 -1.157 1.00 52.40 H new ATOM 0 HD2 LYS B 116 14.842 -11.012 -3.233 1.00 31.32 H new ATOM 0 HD3 LYS B 116 15.626 -12.209 -2.223 1.00 31.32 H new ATOM 0 HE2 LYS B 116 13.478 -12.984 -1.357 1.00 20.23 H new ATOM 0 HE3 LYS B 116 12.629 -11.675 -2.156 1.00 20.23 H new ATOM 0 HZ1 LYS B 116 12.551 -13.832 -3.347 1.00 14.01 H new ATOM 0 HZ2 LYS B 116 13.182 -12.563 -4.282 1.00 14.01 H new ATOM 0 HZ3 LYS B 116 14.225 -13.720 -3.607 1.00 14.01 H new ATOM 1421 N ASP B 117 17.856 -7.069 -1.256 1.00 31.53 N ATOM 1422 CA ASP B 117 19.110 -6.377 -1.604 1.00 11.15 C ATOM 1423 C ASP B 117 18.972 -4.864 -1.301 1.00 65.14 C ATOM 1424 O ASP B 117 17.850 -4.347 -1.206 1.00 70.41 O ATOM 1425 CB ASP B 117 19.426 -6.649 -3.103 1.00 34.22 C ATOM 1426 CG ASP B 117 20.747 -6.034 -3.592 1.00 51.24 C ATOM 1427 OD1 ASP B 117 20.747 -4.873 -4.055 1.00 73.45 O ATOM 1428 OD2 ASP B 117 21.795 -6.707 -3.512 1.00 70.23 O ATOM 0 H ASP B 117 17.063 -6.782 -1.830 1.00 31.53 H new ATOM 0 HA ASP B 117 19.940 -6.751 -1.005 1.00 11.15 H new ATOM 0 HB2 ASP B 117 19.458 -7.726 -3.266 1.00 34.22 H new ATOM 0 HB3 ASP B 117 18.610 -6.259 -3.711 1.00 34.22 H new ATOM 1433 N VAL B 118 20.126 -4.178 -1.158 1.00 32.04 N ATOM 1434 CA VAL B 118 20.213 -2.733 -0.836 1.00 22.34 C ATOM 1435 C VAL B 118 19.482 -1.837 -1.864 1.00 52.40 C ATOM 1436 O VAL B 118 18.871 -0.832 -1.498 1.00 53.30 O ATOM 1437 CB VAL B 118 21.718 -2.274 -0.718 1.00 24.41 C ATOM 1438 CG1 VAL B 118 22.390 -2.900 0.522 1.00 14.35 C ATOM 1439 CG2 VAL B 118 22.529 -2.603 -2.005 1.00 43.42 C ATOM 0 H VAL B 118 21.040 -4.618 -1.264 1.00 32.04 H new ATOM 0 HA VAL B 118 19.710 -2.609 0.123 1.00 22.34 H new ATOM 0 HB VAL B 118 21.715 -1.190 -0.601 1.00 24.41 H new ATOM 0 HG11 VAL B 118 23.427 -2.568 0.581 1.00 14.35 H new ATOM 0 HG12 VAL B 118 21.858 -2.588 1.421 1.00 14.35 H new ATOM 0 HG13 VAL B 118 22.361 -3.987 0.442 1.00 14.35 H new ATOM 0 HG21 VAL B 118 23.559 -2.270 -1.881 1.00 43.42 H new ATOM 0 HG22 VAL B 118 22.514 -3.679 -2.180 1.00 43.42 H new ATOM 0 HG23 VAL B 118 22.083 -2.091 -2.857 1.00 43.42 H new ATOM 1449 N ALA B 119 19.594 -2.191 -3.144 1.00 12.10 N ATOM 1450 CA ALA B 119 18.920 -1.477 -4.249 1.00 13.33 C ATOM 1451 C ALA B 119 17.956 -2.405 -4.999 1.00 23.42 C ATOM 1452 O ALA B 119 17.180 -1.951 -5.851 1.00 72.04 O ATOM 1453 CB ALA B 119 19.970 -0.897 -5.201 1.00 70.31 C ATOM 0 H ALA B 119 20.156 -2.984 -3.454 1.00 12.10 H new ATOM 0 HA ALA B 119 18.330 -0.661 -3.831 1.00 13.33 H new ATOM 0 HB1 ALA B 119 19.472 -0.371 -6.015 1.00 70.31 H new ATOM 0 HB2 ALA B 119 20.610 -0.202 -4.657 1.00 70.31 H new ATOM 0 HB3 ALA B 119 20.577 -1.705 -5.609 1.00 70.31 H new ATOM 1459 N GLY B 120 18.029 -3.709 -4.676 1.00 12.31 N ATOM 1460 CA GLY B 120 17.166 -4.722 -5.263 1.00 3.52 C ATOM 1461 C GLY B 120 15.749 -4.631 -4.729 1.00 22.31 C ATOM 1462 O GLY B 120 15.466 -5.113 -3.620 1.00 64.03 O ATOM 0 H GLY B 120 18.694 -4.080 -3.997 1.00 12.31 H new ATOM 0 HA2 GLY B 120 17.154 -4.606 -6.347 1.00 3.52 H new ATOM 0 HA3 GLY B 120 17.571 -5.712 -5.052 1.00 3.52 H new ATOM 1466 N VAL B 121 14.882 -3.989 -5.527 1.00 72.54 N ATOM 1467 CA VAL B 121 13.469 -3.780 -5.232 1.00 14.44 C ATOM 1468 C VAL B 121 12.719 -5.103 -5.442 1.00 3.12 C ATOM 1469 O VAL B 121 12.230 -5.399 -6.525 1.00 65.03 O ATOM 1470 CB VAL B 121 12.864 -2.619 -6.124 1.00 11.11 C ATOM 1471 CG1 VAL B 121 11.338 -2.455 -5.923 1.00 41.33 C ATOM 1472 CG2 VAL B 121 13.593 -1.284 -5.842 1.00 3.31 C ATOM 0 H VAL B 121 15.161 -3.591 -6.423 1.00 72.54 H new ATOM 0 HA VAL B 121 13.356 -3.467 -4.194 1.00 14.44 H new ATOM 0 HB VAL B 121 13.022 -2.900 -7.165 1.00 11.11 H new ATOM 0 HG11 VAL B 121 10.972 -1.647 -6.556 1.00 41.33 H new ATOM 0 HG12 VAL B 121 10.834 -3.383 -6.192 1.00 41.33 H new ATOM 0 HG13 VAL B 121 11.132 -2.219 -4.879 1.00 41.33 H new ATOM 0 HG21 VAL B 121 13.165 -0.497 -6.463 1.00 3.31 H new ATOM 0 HG22 VAL B 121 13.476 -1.020 -4.791 1.00 3.31 H new ATOM 0 HG23 VAL B 121 14.653 -1.392 -6.073 1.00 3.31 H new ATOM 1482 N GLU B 122 12.811 -5.936 -4.414 1.00 23.15 N ATOM 1483 CA GLU B 122 11.991 -7.136 -4.216 1.00 25.22 C ATOM 1484 C GLU B 122 12.024 -7.461 -2.716 1.00 72.50 C ATOM 1485 O GLU B 122 13.102 -7.657 -2.146 1.00 65.25 O ATOM 1486 CB GLU B 122 12.469 -8.334 -5.095 1.00 32.15 C ATOM 1487 CG GLU B 122 13.946 -8.736 -4.933 1.00 53.10 C ATOM 1488 CD GLU B 122 14.325 -9.961 -5.782 1.00 75.43 C ATOM 1489 OE1 GLU B 122 13.785 -11.059 -5.523 1.00 50.44 O ATOM 1490 OE2 GLU B 122 15.168 -9.841 -6.697 1.00 33.13 O ATOM 0 H GLU B 122 13.485 -5.793 -3.662 1.00 23.15 H new ATOM 0 HA GLU B 122 10.967 -6.950 -4.538 1.00 25.22 H new ATOM 0 HB2 GLU B 122 11.849 -9.200 -4.864 1.00 32.15 H new ATOM 0 HB3 GLU B 122 12.292 -8.086 -6.142 1.00 32.15 H new ATOM 0 HG2 GLU B 122 14.580 -7.895 -5.213 1.00 53.10 H new ATOM 0 HG3 GLU B 122 14.147 -8.951 -3.883 1.00 53.10 H new ATOM 1497 N PHE B 123 10.842 -7.447 -2.069 1.00 55.35 N ATOM 1498 CA PHE B 123 10.737 -7.503 -0.599 1.00 11.43 C ATOM 1499 C PHE B 123 11.287 -8.824 -0.036 1.00 61.01 C ATOM 1500 O PHE B 123 11.042 -9.898 -0.597 1.00 73.14 O ATOM 1501 CB PHE B 123 9.273 -7.277 -0.148 1.00 44.00 C ATOM 1502 CG PHE B 123 8.757 -5.870 -0.457 1.00 31.22 C ATOM 1503 CD1 PHE B 123 9.239 -4.772 0.261 1.00 22.44 C ATOM 1504 CD2 PHE B 123 7.795 -5.640 -1.450 1.00 45.44 C ATOM 1505 CE1 PHE B 123 8.789 -3.492 -0.012 1.00 72.03 C ATOM 1506 CE2 PHE B 123 7.346 -4.357 -1.718 1.00 25.24 C ATOM 1507 CZ PHE B 123 7.840 -3.286 -0.995 1.00 43.22 C ATOM 0 H PHE B 123 9.942 -7.397 -2.546 1.00 55.35 H new ATOM 0 HA PHE B 123 11.352 -6.699 -0.195 1.00 11.43 H new ATOM 0 HB2 PHE B 123 8.631 -8.008 -0.639 1.00 44.00 H new ATOM 0 HB3 PHE B 123 9.198 -7.457 0.924 1.00 44.00 H new ATOM 0 HD1 PHE B 123 9.972 -4.924 1.039 1.00 22.44 H new ATOM 0 HD2 PHE B 123 7.399 -6.472 -2.013 1.00 45.44 H new ATOM 0 HE1 PHE B 123 9.180 -2.653 0.544 1.00 72.03 H new ATOM 0 HE2 PHE B 123 6.610 -4.193 -2.491 1.00 25.24 H new ATOM 0 HZ PHE B 123 7.483 -2.287 -1.199 1.00 43.22 H new ATOM 1517 N ARG B 124 12.060 -8.701 1.057 1.00 65.32 N ATOM 1518 CA ARG B 124 12.635 -9.836 1.796 1.00 2.30 C ATOM 1519 C ARG B 124 11.516 -10.762 2.280 1.00 71.42 C ATOM 1520 O ARG B 124 11.601 -11.982 2.133 1.00 73.45 O ATOM 1521 CB ARG B 124 13.472 -9.305 2.988 1.00 43.11 C ATOM 1522 CG ARG B 124 14.278 -10.364 3.764 1.00 51.21 C ATOM 1523 CD ARG B 124 15.126 -9.743 4.889 1.00 0.22 C ATOM 1524 NE ARG B 124 15.938 -10.754 5.580 1.00 20.44 N ATOM 1525 CZ ARG B 124 16.729 -10.523 6.637 1.00 32.35 C ATOM 1526 NH1 ARG B 124 16.831 -9.306 7.168 1.00 30.53 N ATOM 1527 NH2 ARG B 124 17.405 -11.518 7.172 1.00 51.35 N ATOM 0 H ARG B 124 12.306 -7.796 1.457 1.00 65.32 H new ATOM 0 HA ARG B 124 13.290 -10.409 1.140 1.00 2.30 H new ATOM 0 HB2 ARG B 124 14.164 -8.550 2.614 1.00 43.11 H new ATOM 0 HB3 ARG B 124 12.800 -8.804 3.685 1.00 43.11 H new ATOM 0 HG2 ARG B 124 13.594 -11.098 4.190 1.00 51.21 H new ATOM 0 HG3 ARG B 124 14.930 -10.899 3.074 1.00 51.21 H new ATOM 0 HD2 ARG B 124 15.778 -8.976 4.472 1.00 0.22 H new ATOM 0 HD3 ARG B 124 14.472 -9.249 5.607 1.00 0.22 H new ATOM 0 HE ARG B 124 15.896 -11.710 5.226 1.00 20.44 H new ATOM 0 HH11 ARG B 124 16.302 -8.530 6.770 1.00 30.53 H new ATOM 0 HH12 ARG B 124 17.438 -9.150 7.972 1.00 30.53 H new ATOM 0 HH21 ARG B 124 17.325 -12.457 6.782 1.00 51.35 H new ATOM 0 HH22 ARG B 124 18.009 -11.350 7.977 1.00 51.35 H new ATOM 1541 N ASP B 125 10.461 -10.140 2.838 1.00 52.10 N ATOM 1542 CA ASP B 125 9.222 -10.799 3.229 1.00 62.33 C ATOM 1543 C ASP B 125 8.041 -9.856 2.933 1.00 33.00 C ATOM 1544 O ASP B 125 8.126 -8.641 3.140 1.00 11.22 O ATOM 1545 CB ASP B 125 9.230 -11.169 4.729 1.00 34.33 C ATOM 1546 CG ASP B 125 10.219 -12.285 5.092 1.00 22.14 C ATOM 1547 OD1 ASP B 125 9.902 -13.471 4.863 1.00 23.12 O ATOM 1548 OD2 ASP B 125 11.321 -11.986 5.597 1.00 51.41 O ATOM 0 H ASP B 125 10.457 -9.138 3.030 1.00 52.10 H new ATOM 0 HA ASP B 125 9.123 -11.722 2.658 1.00 62.33 H new ATOM 0 HB2 ASP B 125 9.472 -10.280 5.311 1.00 34.33 H new ATOM 0 HB3 ASP B 125 8.226 -11.478 5.022 1.00 34.33 H new ATOM 1553 N LEU B 126 6.948 -10.449 2.467 1.00 64.12 N ATOM 1554 CA LEU B 126 5.684 -9.751 2.135 1.00 73.14 C ATOM 1555 C LEU B 126 4.755 -9.708 3.356 1.00 63.45 C ATOM 1556 O LEU B 126 3.770 -8.969 3.386 1.00 61.21 O ATOM 1557 CB LEU B 126 5.001 -10.507 0.995 1.00 30.31 C ATOM 1558 CG LEU B 126 5.912 -10.825 -0.221 1.00 22.10 C ATOM 1559 CD1 LEU B 126 5.322 -11.983 -1.018 1.00 64.30 C ATOM 1560 CD2 LEU B 126 6.160 -9.569 -1.093 1.00 13.23 C ATOM 0 H LEU B 126 6.902 -11.454 2.301 1.00 64.12 H new ATOM 0 HA LEU B 126 5.901 -8.726 1.835 1.00 73.14 H new ATOM 0 HB2 LEU B 126 4.604 -11.443 1.387 1.00 30.31 H new ATOM 0 HB3 LEU B 126 4.150 -9.920 0.649 1.00 30.31 H new ATOM 0 HG LEU B 126 6.892 -11.133 0.143 1.00 22.10 H new ATOM 0 HD11 LEU B 126 5.965 -12.203 -1.871 1.00 64.30 H new ATOM 0 HD12 LEU B 126 5.251 -12.864 -0.381 1.00 64.30 H new ATOM 0 HD13 LEU B 126 4.328 -11.711 -1.373 1.00 64.30 H new ATOM 0 HD21 LEU B 126 6.802 -9.831 -1.934 1.00 13.23 H new ATOM 0 HD22 LEU B 126 5.208 -9.192 -1.467 1.00 13.23 H new ATOM 0 HD23 LEU B 126 6.645 -8.799 -0.493 1.00 13.23 H new ATOM 1572 N SER B 127 5.055 -10.568 4.335 1.00 51.24 N ATOM 1573 CA SER B 127 4.464 -10.494 5.674 1.00 3.54 C ATOM 1574 C SER B 127 5.143 -9.357 6.473 1.00 42.41 C ATOM 1575 O SER B 127 4.653 -8.945 7.530 1.00 70.10 O ATOM 1576 CB SER B 127 4.635 -11.852 6.395 1.00 55.13 C ATOM 1577 OG SER B 127 4.116 -12.922 5.616 1.00 22.12 O ATOM 0 H SER B 127 5.716 -11.336 4.220 1.00 51.24 H new ATOM 0 HA SER B 127 3.398 -10.278 5.597 1.00 3.54 H new ATOM 0 HB2 SER B 127 5.691 -12.027 6.598 1.00 55.13 H new ATOM 0 HB3 SER B 127 4.126 -11.821 7.358 1.00 55.13 H new ATOM 0 HG SER B 127 4.240 -13.767 6.097 1.00 22.12 H new ATOM 1583 N LYS B 128 6.285 -8.852 5.931 1.00 75.43 N ATOM 1584 CA LYS B 128 7.105 -7.796 6.576 1.00 33.35 C ATOM 1585 C LYS B 128 7.259 -6.565 5.656 1.00 15.31 C ATOM 1586 O LYS B 128 8.183 -5.755 5.851 1.00 73.33 O ATOM 1587 CB LYS B 128 8.496 -8.360 6.968 1.00 1.53 C ATOM 1588 CG LYS B 128 8.454 -9.539 7.962 1.00 12.23 C ATOM 1589 CD LYS B 128 9.865 -10.034 8.348 1.00 4.44 C ATOM 1590 CE LYS B 128 9.844 -11.253 9.290 1.00 72.10 C ATOM 1591 NZ LYS B 128 11.220 -11.701 9.644 1.00 4.43 N ATOM 0 H LYS B 128 6.660 -9.167 5.036 1.00 75.43 H new ATOM 0 HA LYS B 128 6.589 -7.473 7.480 1.00 33.35 H new ATOM 0 HB2 LYS B 128 9.011 -8.683 6.063 1.00 1.53 H new ATOM 0 HB3 LYS B 128 9.090 -7.556 7.403 1.00 1.53 H new ATOM 0 HG2 LYS B 128 7.920 -9.233 8.862 1.00 12.23 H new ATOM 0 HG3 LYS B 128 7.891 -10.362 7.522 1.00 12.23 H new ATOM 0 HD2 LYS B 128 10.413 -10.293 7.442 1.00 4.44 H new ATOM 0 HD3 LYS B 128 10.409 -9.221 8.828 1.00 4.44 H new ATOM 0 HE2 LYS B 128 9.299 -11.001 10.199 1.00 72.10 H new ATOM 0 HE3 LYS B 128 9.306 -12.072 8.813 1.00 72.10 H new ATOM 0 HZ1 LYS B 128 11.165 -12.523 10.279 1.00 4.43 H new ATOM 0 HZ2 LYS B 128 11.732 -11.966 8.779 1.00 4.43 H new ATOM 0 HZ3 LYS B 128 11.725 -10.927 10.122 1.00 4.43 H new ATOM 1605 N VAL B 129 6.360 -6.419 4.651 1.00 33.24 N ATOM 1606 CA VAL B 129 6.257 -5.172 3.871 1.00 43.33 C ATOM 1607 C VAL B 129 5.635 -4.098 4.793 1.00 21.10 C ATOM 1608 O VAL B 129 4.417 -4.043 4.998 1.00 31.54 O ATOM 1609 CB VAL B 129 5.463 -5.340 2.500 1.00 74.41 C ATOM 1610 CG1 VAL B 129 4.051 -5.939 2.684 1.00 22.04 C ATOM 1611 CG2 VAL B 129 5.394 -3.994 1.728 1.00 4.34 C ATOM 0 H VAL B 129 5.703 -7.146 4.367 1.00 33.24 H new ATOM 0 HA VAL B 129 7.253 -4.864 3.553 1.00 43.33 H new ATOM 0 HB VAL B 129 6.029 -6.058 1.907 1.00 74.41 H new ATOM 0 HG11 VAL B 129 3.564 -6.027 1.713 1.00 22.04 H new ATOM 0 HG12 VAL B 129 4.131 -6.925 3.141 1.00 22.04 H new ATOM 0 HG13 VAL B 129 3.461 -5.288 3.328 1.00 22.04 H new ATOM 0 HG21 VAL B 129 4.847 -4.137 0.796 1.00 4.34 H new ATOM 0 HG22 VAL B 129 4.883 -3.250 2.339 1.00 4.34 H new ATOM 0 HG23 VAL B 129 6.404 -3.649 1.507 1.00 4.34 H new ATOM 1621 N GLU B 130 6.514 -3.306 5.426 1.00 22.15 N ATOM 1622 CA GLU B 130 6.122 -2.343 6.458 1.00 23.23 C ATOM 1623 C GLU B 130 5.355 -1.176 5.829 1.00 34.03 C ATOM 1624 O GLU B 130 5.948 -0.288 5.200 1.00 65.42 O ATOM 1625 CB GLU B 130 7.351 -1.810 7.234 1.00 75.34 C ATOM 1626 CG GLU B 130 6.978 -0.860 8.393 1.00 72.44 C ATOM 1627 CD GLU B 130 8.194 -0.339 9.170 1.00 44.25 C ATOM 1628 OE1 GLU B 130 8.905 -1.149 9.798 1.00 62.12 O ATOM 1629 OE2 GLU B 130 8.426 0.890 9.187 1.00 44.42 O ATOM 0 H GLU B 130 7.516 -3.318 5.234 1.00 22.15 H new ATOM 0 HA GLU B 130 5.475 -2.861 7.166 1.00 23.23 H new ATOM 0 HB2 GLU B 130 7.914 -2.654 7.632 1.00 75.34 H new ATOM 0 HB3 GLU B 130 8.010 -1.286 6.542 1.00 75.34 H new ATOM 0 HG2 GLU B 130 6.421 -0.012 7.993 1.00 72.44 H new ATOM 0 HG3 GLU B 130 6.313 -1.382 9.081 1.00 72.44 H new ATOM 1636 N PHE B 131 4.030 -1.224 5.972 1.00 22.25 N ATOM 1637 CA PHE B 131 3.150 -0.124 5.600 1.00 3.01 C ATOM 1638 C PHE B 131 3.378 1.007 6.605 1.00 5.45 C ATOM 1639 O PHE B 131 2.891 0.946 7.746 1.00 64.41 O ATOM 1640 CB PHE B 131 1.669 -0.578 5.591 1.00 63.41 C ATOM 1641 CG PHE B 131 1.364 -1.708 4.603 1.00 50.01 C ATOM 1642 CD1 PHE B 131 1.111 -1.430 3.259 1.00 43.11 C ATOM 1643 CD2 PHE B 131 1.318 -3.041 5.020 1.00 54.25 C ATOM 1644 CE1 PHE B 131 0.827 -2.444 2.366 1.00 20.33 C ATOM 1645 CE2 PHE B 131 1.035 -4.050 4.121 1.00 72.52 C ATOM 1646 CZ PHE B 131 0.790 -3.751 2.796 1.00 71.43 C ATOM 0 H PHE B 131 3.538 -2.033 6.351 1.00 22.25 H new ATOM 0 HA PHE B 131 3.376 0.220 4.591 1.00 3.01 H new ATOM 0 HB2 PHE B 131 1.395 -0.904 6.594 1.00 63.41 H new ATOM 0 HB3 PHE B 131 1.040 0.279 5.351 1.00 63.41 H new ATOM 0 HD1 PHE B 131 1.138 -0.407 2.913 1.00 43.11 H new ATOM 0 HD2 PHE B 131 1.506 -3.284 6.055 1.00 54.25 H new ATOM 0 HE1 PHE B 131 0.634 -2.211 1.329 1.00 20.33 H new ATOM 0 HE2 PHE B 131 1.005 -5.076 4.456 1.00 72.52 H new ATOM 0 HZ PHE B 131 0.569 -4.543 2.096 1.00 71.43 H new ATOM 1656 N VAL B 132 4.193 1.988 6.184 1.00 41.23 N ATOM 1657 CA VAL B 132 4.567 3.151 7.004 1.00 33.13 C ATOM 1658 C VAL B 132 3.303 3.939 7.423 1.00 3.53 C ATOM 1659 O VAL B 132 3.251 4.530 8.507 1.00 4.13 O ATOM 1660 CB VAL B 132 5.588 4.076 6.240 1.00 4.33 C ATOM 1661 CG1 VAL B 132 5.955 5.348 7.046 1.00 73.54 C ATOM 1662 CG2 VAL B 132 6.856 3.283 5.853 1.00 3.42 C ATOM 0 H VAL B 132 4.615 1.996 5.255 1.00 41.23 H new ATOM 0 HA VAL B 132 5.062 2.793 7.907 1.00 33.13 H new ATOM 0 HB VAL B 132 5.094 4.414 5.329 1.00 4.33 H new ATOM 0 HG11 VAL B 132 6.661 5.950 6.474 1.00 73.54 H new ATOM 0 HG12 VAL B 132 5.054 5.930 7.237 1.00 73.54 H new ATOM 0 HG13 VAL B 132 6.409 5.060 7.994 1.00 73.54 H new ATOM 0 HG21 VAL B 132 7.549 3.939 5.326 1.00 3.42 H new ATOM 0 HG22 VAL B 132 7.334 2.899 6.754 1.00 3.42 H new ATOM 0 HG23 VAL B 132 6.581 2.451 5.205 1.00 3.42 H new ATOM 1672 N GLY B 133 2.289 3.917 6.535 1.00 23.32 N ATOM 1673 CA GLY B 133 0.952 4.417 6.837 1.00 62.24 C ATOM 1674 C GLY B 133 0.398 5.290 5.723 1.00 41.30 C ATOM 1675 O GLY B 133 0.529 4.951 4.536 1.00 4.50 O ATOM 0 H GLY B 133 2.384 3.549 5.588 1.00 23.32 H new ATOM 0 HA2 GLY B 133 0.280 3.575 7.004 1.00 62.24 H new ATOM 0 HA3 GLY B 133 0.981 4.990 7.764 1.00 62.24 H new ATOM 1679 N ALA B 134 -0.209 6.416 6.113 1.00 62.44 N ATOM 1680 CA ALA B 134 -0.799 7.394 5.192 1.00 1.44 C ATOM 1681 C ALA B 134 -0.893 8.750 5.896 1.00 3.15 C ATOM 1682 O ALA B 134 -1.127 8.814 7.107 1.00 13.12 O ATOM 1683 CB ALA B 134 -2.184 6.930 4.728 1.00 20.42 C ATOM 0 H ALA B 134 -0.306 6.678 7.094 1.00 62.44 H new ATOM 0 HA ALA B 134 -0.166 7.488 4.310 1.00 1.44 H new ATOM 0 HB1 ALA B 134 -2.605 7.668 4.046 1.00 20.42 H new ATOM 0 HB2 ALA B 134 -2.094 5.972 4.216 1.00 20.42 H new ATOM 0 HB3 ALA B 134 -2.839 6.819 5.592 1.00 20.42 H new ATOM 1689 N TYR B 135 -0.689 9.829 5.130 1.00 74.42 N ATOM 1690 CA TYR B 135 -0.664 11.212 5.646 1.00 33.31 C ATOM 1691 C TYR B 135 -1.741 12.042 4.925 1.00 63.34 C ATOM 1692 O TYR B 135 -2.095 11.705 3.805 1.00 44.13 O ATOM 1693 CB TYR B 135 0.766 11.800 5.449 1.00 75.14 C ATOM 1694 CG TYR B 135 1.816 11.188 6.407 1.00 42.53 C ATOM 1695 CD1 TYR B 135 2.326 9.903 6.196 1.00 61.33 C ATOM 1696 CD2 TYR B 135 2.269 11.882 7.532 1.00 13.00 C ATOM 1697 CE1 TYR B 135 3.234 9.336 7.067 1.00 22.24 C ATOM 1698 CE2 TYR B 135 3.179 11.313 8.406 1.00 62.24 C ATOM 1699 CZ TYR B 135 3.661 10.041 8.165 1.00 43.35 C ATOM 1700 OH TYR B 135 4.576 9.474 9.028 1.00 1.12 O ATOM 0 H TYR B 135 -0.535 9.771 4.123 1.00 74.42 H new ATOM 0 HA TYR B 135 -0.891 11.235 6.712 1.00 33.31 H new ATOM 0 HB2 TYR B 135 1.082 11.632 4.419 1.00 75.14 H new ATOM 0 HB3 TYR B 135 0.732 12.879 5.600 1.00 75.14 H new ATOM 0 HD1 TYR B 135 2.002 9.342 5.332 1.00 61.33 H new ATOM 0 HD2 TYR B 135 1.903 12.880 7.723 1.00 13.00 H new ATOM 0 HE1 TYR B 135 3.608 8.339 6.885 1.00 22.24 H new ATOM 0 HE2 TYR B 135 3.511 11.862 9.274 1.00 62.24 H new ATOM 0 HH TYR B 135 4.775 10.103 9.753 1.00 1.12 H new ATOM 1710 N PRO B 136 -2.278 13.159 5.532 1.00 14.44 N ATOM 1711 CA PRO B 136 -3.388 13.956 4.917 1.00 64.23 C ATOM 1712 C PRO B 136 -2.933 14.897 3.773 1.00 45.03 C ATOM 1713 O PRO B 136 -3.672 15.812 3.381 1.00 44.14 O ATOM 1714 CB PRO B 136 -3.931 14.748 6.131 1.00 30.11 C ATOM 1715 CG PRO B 136 -2.720 14.981 6.988 1.00 74.40 C ATOM 1716 CD PRO B 136 -1.872 13.725 6.854 1.00 10.42 C ATOM 0 HA PRO B 136 -4.126 13.322 4.424 1.00 64.23 H new ATOM 0 HB2 PRO B 136 -4.387 15.688 5.822 1.00 30.11 H new ATOM 0 HB3 PRO B 136 -4.695 14.184 6.666 1.00 30.11 H new ATOM 0 HG2 PRO B 136 -2.170 15.862 6.657 1.00 74.40 H new ATOM 0 HG3 PRO B 136 -3.003 15.153 8.026 1.00 74.40 H new ATOM 0 HD2 PRO B 136 -0.807 13.957 6.880 1.00 10.42 H new ATOM 0 HD3 PRO B 136 -2.065 13.024 7.666 1.00 10.42 H new ATOM 1724 N SER B 137 -1.727 14.640 3.241 1.00 75.55 N ATOM 1725 CA SER B 137 -1.111 15.422 2.170 1.00 15.22 C ATOM 1726 C SER B 137 0.007 14.592 1.527 1.00 11.35 C ATOM 1727 O SER B 137 0.724 13.859 2.231 1.00 62.50 O ATOM 1728 CB SER B 137 -0.535 16.739 2.742 1.00 14.10 C ATOM 1729 OG SER B 137 0.061 17.547 1.740 1.00 75.54 O ATOM 0 H SER B 137 -1.144 13.864 3.555 1.00 75.55 H new ATOM 0 HA SER B 137 -1.860 15.670 1.418 1.00 15.22 H new ATOM 0 HB2 SER B 137 -1.332 17.299 3.231 1.00 14.10 H new ATOM 0 HB3 SER B 137 0.206 16.507 3.507 1.00 14.10 H new ATOM 0 HG SER B 137 0.409 18.368 2.146 1.00 75.54 H new ATOM 1735 N TYR B 138 0.151 14.717 0.190 1.00 11.32 N ATOM 1736 CA TYR B 138 1.232 14.061 -0.571 1.00 11.42 C ATOM 1737 C TYR B 138 2.616 14.494 -0.060 1.00 75.55 C ATOM 1738 O TYR B 138 3.525 13.678 -0.001 1.00 23.52 O ATOM 1739 CB TYR B 138 1.103 14.360 -2.098 1.00 61.15 C ATOM 1740 CG TYR B 138 2.351 13.966 -2.928 1.00 45.52 C ATOM 1741 CD1 TYR B 138 2.703 12.627 -3.111 1.00 31.51 C ATOM 1742 CD2 TYR B 138 3.182 14.936 -3.511 1.00 65.14 C ATOM 1743 CE1 TYR B 138 3.833 12.270 -3.828 1.00 21.24 C ATOM 1744 CE2 TYR B 138 4.308 14.577 -4.230 1.00 33.03 C ATOM 1745 CZ TYR B 138 4.627 13.245 -4.389 1.00 74.43 C ATOM 1746 OH TYR B 138 5.752 12.885 -5.108 1.00 62.05 O ATOM 0 H TYR B 138 -0.478 15.274 -0.389 1.00 11.32 H new ATOM 0 HA TYR B 138 1.132 12.986 -0.419 1.00 11.42 H new ATOM 0 HB2 TYR B 138 0.237 13.827 -2.490 1.00 61.15 H new ATOM 0 HB3 TYR B 138 0.911 15.424 -2.234 1.00 61.15 H new ATOM 0 HD1 TYR B 138 2.081 11.854 -2.685 1.00 31.51 H new ATOM 0 HD2 TYR B 138 2.938 15.982 -3.396 1.00 65.14 H new ATOM 0 HE1 TYR B 138 4.091 11.228 -3.947 1.00 21.24 H new ATOM 0 HE2 TYR B 138 4.937 15.339 -4.666 1.00 33.03 H new ATOM 0 HH TYR B 138 6.201 13.691 -5.438 1.00 62.05 H new ATOM 1756 N ASP B 139 2.742 15.786 0.295 1.00 74.42 N ATOM 1757 CA ASP B 139 4.012 16.385 0.741 1.00 62.13 C ATOM 1758 C ASP B 139 4.470 15.806 2.096 1.00 30.15 C ATOM 1759 O ASP B 139 5.671 15.628 2.331 1.00 33.53 O ATOM 1760 CB ASP B 139 3.873 17.927 0.815 1.00 0.23 C ATOM 1761 CG ASP B 139 5.187 18.633 1.204 1.00 23.10 C ATOM 1762 OD1 ASP B 139 6.094 18.739 0.343 1.00 10.22 O ATOM 1763 OD2 ASP B 139 5.328 19.063 2.364 1.00 73.30 O ATOM 0 H ASP B 139 1.964 16.445 0.280 1.00 74.42 H new ATOM 0 HA ASP B 139 4.781 16.135 0.010 1.00 62.13 H new ATOM 0 HB2 ASP B 139 3.538 18.303 -0.152 1.00 0.23 H new ATOM 0 HB3 ASP B 139 3.101 18.182 1.541 1.00 0.23 H new ATOM 1768 N GLU B 140 3.496 15.500 2.970 1.00 72.24 N ATOM 1769 CA GLU B 140 3.761 14.887 4.286 1.00 30.50 C ATOM 1770 C GLU B 140 4.198 13.422 4.134 1.00 40.13 C ATOM 1771 O GLU B 140 4.982 12.912 4.939 1.00 40.01 O ATOM 1772 CB GLU B 140 2.510 14.988 5.190 1.00 4.13 C ATOM 1773 CG GLU B 140 2.051 16.424 5.476 1.00 53.21 C ATOM 1774 CD GLU B 140 3.120 17.278 6.186 1.00 3.24 C ATOM 1775 OE1 GLU B 140 3.257 17.163 7.424 1.00 2.25 O ATOM 1776 OE2 GLU B 140 3.832 18.062 5.520 1.00 61.25 O ATOM 0 H GLU B 140 2.507 15.669 2.787 1.00 72.24 H new ATOM 0 HA GLU B 140 4.577 15.435 4.757 1.00 30.50 H new ATOM 0 HB2 GLU B 140 1.691 14.444 4.719 1.00 4.13 H new ATOM 0 HB3 GLU B 140 2.720 14.491 6.137 1.00 4.13 H new ATOM 0 HG2 GLU B 140 1.778 16.904 4.536 1.00 53.21 H new ATOM 0 HG3 GLU B 140 1.152 16.394 6.092 1.00 53.21 H new ATOM 1783 N ALA B 141 3.676 12.757 3.083 1.00 73.40 N ATOM 1784 CA ALA B 141 4.046 11.386 2.735 1.00 71.52 C ATOM 1785 C ALA B 141 5.409 11.368 2.017 1.00 61.14 C ATOM 1786 O ALA B 141 6.212 10.443 2.186 1.00 41.12 O ATOM 1787 CB ALA B 141 2.944 10.791 1.864 1.00 41.20 C ATOM 0 H ALA B 141 2.984 13.165 2.455 1.00 73.40 H new ATOM 0 HA ALA B 141 4.148 10.781 3.636 1.00 71.52 H new ATOM 0 HB1 ALA B 141 3.205 9.767 1.596 1.00 41.20 H new ATOM 0 HB2 ALA B 141 2.004 10.793 2.415 1.00 41.20 H new ATOM 0 HB3 ALA B 141 2.835 11.387 0.958 1.00 41.20 H new ATOM 1793 N HIS B 142 5.660 12.437 1.243 1.00 21.13 N ATOM 1794 CA HIS B 142 6.920 12.645 0.523 1.00 2.43 C ATOM 1795 C HIS B 142 8.059 12.815 1.527 1.00 20.22 C ATOM 1796 O HIS B 142 9.145 12.294 1.327 1.00 55.41 O ATOM 1797 CB HIS B 142 6.814 13.877 -0.423 1.00 2.35 C ATOM 1798 CG HIS B 142 8.079 14.215 -1.172 1.00 73.31 C ATOM 1799 ND1 HIS B 142 8.446 15.504 -1.478 1.00 23.11 N ATOM 1800 CD2 HIS B 142 9.052 13.424 -1.688 1.00 35.31 C ATOM 1801 CE1 HIS B 142 9.577 15.495 -2.143 1.00 33.42 C ATOM 1802 NE2 HIS B 142 9.968 14.246 -2.285 1.00 72.25 N ATOM 0 H HIS B 142 4.984 13.187 1.100 1.00 21.13 H new ATOM 0 HA HIS B 142 7.129 11.773 -0.097 1.00 2.43 H new ATOM 0 HB2 HIS B 142 6.019 13.694 -1.146 1.00 2.35 H new ATOM 0 HB3 HIS B 142 6.515 14.744 0.166 1.00 2.35 H new ATOM 0 HD2 HIS B 142 9.096 12.346 -1.637 1.00 35.31 H new ATOM 0 HE1 HIS B 142 10.099 16.366 -2.512 1.00 33.42 H new ATOM 0 HE2 HIS B 142 10.816 13.941 -2.763 1.00 72.25 H new ATOM 1811 N LYS B 143 7.774 13.525 2.619 1.00 10.11 N ATOM 1812 CA LYS B 143 8.737 13.742 3.689 1.00 31.14 C ATOM 1813 C LYS B 143 8.949 12.450 4.494 1.00 5.00 C ATOM 1814 O LYS B 143 10.087 12.096 4.796 1.00 1.21 O ATOM 1815 CB LYS B 143 8.269 14.883 4.618 1.00 34.04 C ATOM 1816 CG LYS B 143 9.329 15.316 5.656 1.00 10.31 C ATOM 1817 CD LYS B 143 10.632 15.832 4.995 1.00 34.44 C ATOM 1818 CE LYS B 143 10.410 17.106 4.154 1.00 51.14 C ATOM 1819 NZ LYS B 143 9.747 18.197 4.927 1.00 31.55 N ATOM 0 H LYS B 143 6.868 13.964 2.783 1.00 10.11 H new ATOM 0 HA LYS B 143 9.688 14.030 3.240 1.00 31.14 H new ATOM 0 HB2 LYS B 143 7.996 15.745 4.010 1.00 34.04 H new ATOM 0 HB3 LYS B 143 7.368 14.565 5.143 1.00 34.04 H new ATOM 0 HG2 LYS B 143 8.913 16.099 6.290 1.00 10.31 H new ATOM 0 HG3 LYS B 143 9.564 14.472 6.304 1.00 10.31 H new ATOM 0 HD2 LYS B 143 11.371 16.037 5.770 1.00 34.44 H new ATOM 0 HD3 LYS B 143 11.046 15.050 4.359 1.00 34.44 H new ATOM 0 HE2 LYS B 143 11.370 17.462 3.781 1.00 51.14 H new ATOM 0 HE3 LYS B 143 9.801 16.861 3.284 1.00 51.14 H new ATOM 0 HZ1 LYS B 143 9.759 19.074 4.369 1.00 31.55 H new ATOM 0 HZ2 LYS B 143 8.763 17.929 5.131 1.00 31.55 H new ATOM 0 HZ3 LYS B 143 10.257 18.348 5.821 1.00 31.55 H new ATOM 1833 N ALA B 144 7.828 11.752 4.792 1.00 54.14 N ATOM 1834 CA ALA B 144 7.812 10.522 5.617 1.00 75.04 C ATOM 1835 C ALA B 144 8.725 9.416 5.059 1.00 63.12 C ATOM 1836 O ALA B 144 9.266 8.620 5.822 1.00 13.23 O ATOM 1837 CB ALA B 144 6.386 9.997 5.735 1.00 63.22 C ATOM 0 H ALA B 144 6.903 12.029 4.464 1.00 54.14 H new ATOM 0 HA ALA B 144 8.199 10.793 6.599 1.00 75.04 H new ATOM 0 HB1 ALA B 144 6.381 9.092 6.343 1.00 63.22 H new ATOM 0 HB2 ALA B 144 5.757 10.754 6.205 1.00 63.22 H new ATOM 0 HB3 ALA B 144 5.999 9.769 4.742 1.00 63.22 H new ATOM 1843 N TRP B 145 8.868 9.401 3.723 1.00 11.42 N ATOM 1844 CA TRP B 145 9.745 8.484 2.977 1.00 11.23 C ATOM 1845 C TRP B 145 11.197 8.517 3.536 1.00 65.13 C ATOM 1846 O TRP B 145 11.730 7.491 3.969 1.00 55.23 O ATOM 1847 CB TRP B 145 9.660 8.860 1.444 1.00 35.31 C ATOM 1848 CG TRP B 145 10.947 8.720 0.652 1.00 21.21 C ATOM 1849 CD1 TRP B 145 11.499 7.574 0.163 1.00 12.14 C ATOM 1850 CD2 TRP B 145 11.829 9.789 0.251 1.00 4.12 C ATOM 1851 NE1 TRP B 145 12.679 7.853 -0.483 1.00 44.44 N ATOM 1852 CE2 TRP B 145 12.904 9.203 -0.442 1.00 33.02 C ATOM 1853 CE3 TRP B 145 11.822 11.180 0.430 1.00 61.11 C ATOM 1854 CZ2 TRP B 145 13.946 9.955 -0.965 1.00 11.23 C ATOM 1855 CZ3 TRP B 145 12.858 11.919 -0.086 1.00 54.34 C ATOM 1856 CH2 TRP B 145 13.906 11.307 -0.772 1.00 1.22 C ATOM 0 H TRP B 145 8.362 10.045 3.115 1.00 11.42 H new ATOM 0 HA TRP B 145 9.414 7.453 3.098 1.00 11.23 H new ATOM 0 HB2 TRP B 145 8.900 8.233 0.978 1.00 35.31 H new ATOM 0 HB3 TRP B 145 9.316 9.891 1.362 1.00 35.31 H new ATOM 0 HD1 TRP B 145 11.070 6.588 0.268 1.00 12.14 H new ATOM 0 HE1 TRP B 145 13.290 7.165 -0.923 1.00 44.44 H new ATOM 0 HE3 TRP B 145 11.016 11.661 0.964 1.00 61.11 H new ATOM 0 HZ2 TRP B 145 14.758 9.489 -1.504 1.00 11.23 H new ATOM 0 HZ3 TRP B 145 12.861 12.991 0.042 1.00 54.34 H new ATOM 0 HH2 TRP B 145 14.707 11.918 -1.161 1.00 1.22 H new ATOM 1867 N LYS B 146 11.797 9.718 3.548 1.00 24.11 N ATOM 1868 CA LYS B 146 13.202 9.921 3.985 1.00 51.52 C ATOM 1869 C LYS B 146 13.278 10.140 5.502 1.00 72.44 C ATOM 1870 O LYS B 146 14.311 9.880 6.121 1.00 12.12 O ATOM 1871 CB LYS B 146 13.815 11.101 3.201 1.00 51.24 C ATOM 1872 CG LYS B 146 15.244 11.530 3.595 1.00 72.23 C ATOM 1873 CD LYS B 146 15.799 12.672 2.709 1.00 15.15 C ATOM 1874 CE LYS B 146 14.887 13.911 2.678 1.00 14.25 C ATOM 1875 NZ LYS B 146 15.475 15.008 1.866 1.00 70.15 N ATOM 0 H LYS B 146 11.330 10.577 3.258 1.00 24.11 H new ATOM 0 HA LYS B 146 13.783 9.025 3.768 1.00 51.52 H new ATOM 0 HB2 LYS B 146 13.818 10.841 2.143 1.00 51.24 H new ATOM 0 HB3 LYS B 146 13.158 11.963 3.315 1.00 51.24 H new ATOM 0 HG2 LYS B 146 15.247 11.852 4.636 1.00 72.23 H new ATOM 0 HG3 LYS B 146 15.908 10.668 3.526 1.00 72.23 H new ATOM 0 HD2 LYS B 146 16.784 12.962 3.076 1.00 15.15 H new ATOM 0 HD3 LYS B 146 15.934 12.302 1.693 1.00 15.15 H new ATOM 0 HE2 LYS B 146 13.915 13.637 2.269 1.00 14.25 H new ATOM 0 HE3 LYS B 146 14.717 14.263 3.696 1.00 14.25 H new ATOM 0 HZ1 LYS B 146 14.832 15.825 1.869 1.00 70.15 H new ATOM 0 HZ2 LYS B 146 16.391 15.287 2.271 1.00 70.15 H new ATOM 0 HZ3 LYS B 146 15.614 14.680 0.889 1.00 70.15 H new ATOM 1889 N ALA B 147 12.157 10.582 6.098 1.00 41.00 N ATOM 1890 CA ALA B 147 12.025 10.727 7.558 1.00 14.25 C ATOM 1891 C ALA B 147 12.128 9.352 8.236 1.00 42.44 C ATOM 1892 O ALA B 147 12.550 9.245 9.382 1.00 30.51 O ATOM 1893 CB ALA B 147 10.694 11.408 7.910 1.00 14.34 C ATOM 0 H ALA B 147 11.318 10.848 5.582 1.00 41.00 H new ATOM 0 HA ALA B 147 12.837 11.356 7.925 1.00 14.25 H new ATOM 0 HB1 ALA B 147 10.611 11.508 8.992 1.00 14.34 H new ATOM 0 HB2 ALA B 147 10.658 12.396 7.451 1.00 14.34 H new ATOM 0 HB3 ALA B 147 9.867 10.804 7.537 1.00 14.34 H new ATOM 1899 N LYS B 148 11.718 8.309 7.492 1.00 33.12 N ATOM 1900 CA LYS B 148 11.858 6.905 7.890 1.00 74.41 C ATOM 1901 C LYS B 148 13.234 6.354 7.494 1.00 45.42 C ATOM 1902 O LYS B 148 13.936 5.787 8.329 1.00 62.14 O ATOM 1903 CB LYS B 148 10.726 6.077 7.225 1.00 61.33 C ATOM 1904 CG LYS B 148 9.366 6.165 7.945 1.00 71.55 C ATOM 1905 CD LYS B 148 9.371 5.457 9.321 1.00 73.45 C ATOM 1906 CE LYS B 148 9.768 3.978 9.205 1.00 11.31 C ATOM 1907 NZ LYS B 148 9.547 3.237 10.466 1.00 63.15 N ATOM 0 H LYS B 148 11.273 8.425 6.582 1.00 33.12 H new ATOM 0 HA LYS B 148 11.776 6.831 8.974 1.00 74.41 H new ATOM 0 HB2 LYS B 148 10.601 6.415 6.196 1.00 61.33 H new ATOM 0 HB3 LYS B 148 11.034 5.032 7.182 1.00 61.33 H new ATOM 0 HG2 LYS B 148 9.099 7.213 8.081 1.00 71.55 H new ATOM 0 HG3 LYS B 148 8.596 5.719 7.315 1.00 71.55 H new ATOM 0 HD2 LYS B 148 10.065 5.967 9.989 1.00 73.45 H new ATOM 0 HD3 LYS B 148 8.381 5.533 9.771 1.00 73.45 H new ATOM 0 HE2 LYS B 148 9.192 3.511 8.406 1.00 11.31 H new ATOM 0 HE3 LYS B 148 10.819 3.907 8.924 1.00 11.31 H new ATOM 0 HZ1 LYS B 148 9.119 2.313 10.255 1.00 63.15 H new ATOM 0 HZ2 LYS B 148 10.457 3.095 10.949 1.00 63.15 H new ATOM 0 HZ3 LYS B 148 8.910 3.782 11.082 1.00 63.15 H new ATOM 1921 N ALA B 149 13.601 6.559 6.216 1.00 13.40 N ATOM 1922 CA ALA B 149 14.826 5.992 5.605 1.00 74.03 C ATOM 1923 C ALA B 149 16.119 6.434 6.336 1.00 65.23 C ATOM 1924 O ALA B 149 17.097 5.685 6.382 1.00 32.11 O ATOM 1925 CB ALA B 149 14.880 6.373 4.121 1.00 23.13 C ATOM 0 H ALA B 149 13.054 7.127 5.569 1.00 13.40 H new ATOM 0 HA ALA B 149 14.775 4.908 5.704 1.00 74.03 H new ATOM 0 HB1 ALA B 149 15.781 5.956 3.671 1.00 23.13 H new ATOM 0 HB2 ALA B 149 14.002 5.976 3.611 1.00 23.13 H new ATOM 0 HB3 ALA B 149 14.895 7.459 4.024 1.00 23.13 H new ATOM 1931 N GLN B 150 16.105 7.658 6.892 1.00 1.14 N ATOM 1932 CA GLN B 150 17.200 8.184 7.731 1.00 32.11 C ATOM 1933 C GLN B 150 17.093 7.643 9.166 1.00 40.24 C ATOM 1934 O GLN B 150 18.105 7.280 9.772 1.00 54.50 O ATOM 1935 CB GLN B 150 17.179 9.739 7.756 1.00 13.11 C ATOM 1936 CG GLN B 150 17.632 10.416 6.447 1.00 1.33 C ATOM 1937 CD GLN B 150 17.406 11.936 6.422 1.00 55.12 C ATOM 1938 OE1 GLN B 150 16.293 12.405 6.990 1.00 3.32 O flip ATOM 1939 NE2 GLN B 150 18.193 12.683 5.841 1.00 4.14 N flip ATOM 0 H GLN B 150 15.333 8.313 6.773 1.00 1.14 H new ATOM 0 HA GLN B 150 18.142 7.851 7.296 1.00 32.11 H new ATOM 0 HB2 GLN B 150 16.167 10.070 7.988 1.00 13.11 H new ATOM 0 HB3 GLN B 150 17.821 10.083 8.567 1.00 13.11 H new ATOM 0 HG2 GLN B 150 18.692 10.213 6.292 1.00 1.33 H new ATOM 0 HG3 GLN B 150 17.096 9.965 5.612 1.00 1.33 H new ATOM 0 HE21 GLN B 150 19.037 12.302 5.414 1.00 4.14 H new ATOM 0 HE22 GLN B 150 18.001 13.683 5.786 1.00 4.14 H new ATOM 1948 N ALA B 151 15.853 7.583 9.687 1.00 3.42 N ATOM 1949 CA ALA B 151 15.584 7.239 11.106 1.00 75.41 C ATOM 1950 C ALA B 151 15.990 5.791 11.430 1.00 34.13 C ATOM 1951 O ALA B 151 16.495 5.506 12.522 1.00 71.22 O ATOM 1952 CB ALA B 151 14.100 7.469 11.438 1.00 1.12 C ATOM 0 H ALA B 151 15.010 7.770 9.144 1.00 3.42 H new ATOM 0 HA ALA B 151 16.194 7.896 11.727 1.00 75.41 H new ATOM 0 HB1 ALA B 151 13.917 7.213 12.481 1.00 1.12 H new ATOM 0 HB2 ALA B 151 13.848 8.516 11.272 1.00 1.12 H new ATOM 0 HB3 ALA B 151 13.482 6.841 10.796 1.00 1.12 H new ATOM 1958 N THR B 152 15.799 4.903 10.450 1.00 54.42 N ATOM 1959 CA THR B 152 15.972 3.458 10.612 1.00 33.31 C ATOM 1960 C THR B 152 17.413 3.024 10.240 1.00 11.34 C ATOM 1961 O THR B 152 17.632 2.236 9.307 1.00 62.14 O ATOM 1962 CB THR B 152 14.903 2.722 9.744 1.00 3.41 C ATOM 1963 OG1 THR B 152 15.048 3.117 8.369 1.00 24.44 O ATOM 1964 CG2 THR B 152 13.467 3.028 10.218 1.00 62.42 C ATOM 0 H THR B 152 15.516 5.173 9.508 1.00 54.42 H new ATOM 0 HA THR B 152 15.826 3.186 11.657 1.00 33.31 H new ATOM 0 HB THR B 152 15.068 1.650 9.850 1.00 3.41 H new ATOM 0 HG1 THR B 152 14.608 3.982 8.229 1.00 24.44 H new ATOM 0 HG21 THR B 152 12.755 2.496 9.587 1.00 62.42 H new ATOM 0 HG22 THR B 152 13.348 2.704 11.252 1.00 62.42 H new ATOM 0 HG23 THR B 152 13.282 4.100 10.150 1.00 62.42 H new ATOM 1972 N VAL B 153 18.392 3.568 10.993 1.00 1.35 N ATOM 1973 CA VAL B 153 19.832 3.264 10.823 1.00 64.03 C ATOM 1974 C VAL B 153 20.110 1.786 11.182 1.00 31.02 C ATOM 1975 O VAL B 153 20.917 1.110 10.530 1.00 61.21 O ATOM 1976 CB VAL B 153 20.722 4.215 11.722 1.00 75.11 C ATOM 1977 CG1 VAL B 153 22.238 3.977 11.499 1.00 73.14 C ATOM 1978 CG2 VAL B 153 20.351 5.702 11.495 1.00 34.03 C ATOM 0 H VAL B 153 18.206 4.235 11.742 1.00 1.35 H new ATOM 0 HA VAL B 153 20.094 3.435 9.779 1.00 64.03 H new ATOM 0 HB VAL B 153 20.509 3.966 12.762 1.00 75.11 H new ATOM 0 HG11 VAL B 153 22.810 4.651 12.136 1.00 73.14 H new ATOM 0 HG12 VAL B 153 22.485 2.945 11.749 1.00 73.14 H new ATOM 0 HG13 VAL B 153 22.486 4.167 10.455 1.00 73.14 H new ATOM 0 HG21 VAL B 153 20.977 6.334 12.125 1.00 34.03 H new ATOM 0 HG22 VAL B 153 20.511 5.961 10.448 1.00 34.03 H new ATOM 0 HG23 VAL B 153 19.303 5.859 11.752 1.00 34.03 H new ATOM 1988 N ASP B 154 19.410 1.322 12.228 1.00 54.00 N ATOM 1989 CA ASP B 154 19.447 -0.071 12.712 1.00 43.00 C ATOM 1990 C ASP B 154 18.817 -1.039 11.692 1.00 55.24 C ATOM 1991 O ASP B 154 19.379 -2.109 11.413 1.00 70.35 O ATOM 1992 CB ASP B 154 18.699 -0.160 14.077 1.00 54.32 C ATOM 1993 CG ASP B 154 18.464 -1.604 14.560 1.00 1.05 C ATOM 1994 OD1 ASP B 154 19.414 -2.236 15.053 1.00 34.33 O ATOM 1995 OD2 ASP B 154 17.331 -2.121 14.414 1.00 63.53 O ATOM 0 H ASP B 154 18.787 1.917 12.775 1.00 54.00 H new ATOM 0 HA ASP B 154 20.488 -0.366 12.842 1.00 43.00 H new ATOM 0 HB2 ASP B 154 19.273 0.378 14.832 1.00 54.32 H new ATOM 0 HB3 ASP B 154 17.737 0.345 13.988 1.00 54.32 H new ATOM 2000 N ASN B 155 17.642 -0.651 11.156 1.00 32.33 N ATOM 2001 CA ASN B 155 16.856 -1.490 10.241 1.00 44.14 C ATOM 2002 C ASN B 155 17.617 -1.646 8.900 1.00 12.51 C ATOM 2003 O ASN B 155 17.613 -0.737 8.061 1.00 5.10 O ATOM 2004 CB ASN B 155 15.440 -0.881 10.051 1.00 64.22 C ATOM 2005 CG ASN B 155 14.324 -1.904 9.788 1.00 51.24 C ATOM 2006 OD1 ASN B 155 14.637 -3.038 9.164 1.00 65.35 O flip ATOM 2007 ND2 ASN B 155 13.172 -1.670 10.141 1.00 23.01 N flip ATOM 0 H ASN B 155 17.215 0.255 11.348 1.00 32.33 H new ATOM 0 HA ASN B 155 16.724 -2.486 10.663 1.00 44.14 H new ATOM 0 HB2 ASN B 155 15.185 -0.308 10.942 1.00 64.22 H new ATOM 0 HB3 ASN B 155 15.472 -0.178 9.219 1.00 64.22 H new ATOM 0 HD21 ASN B 155 12.952 -0.795 10.618 1.00 23.01 H new ATOM 0 HD22 ASN B 155 12.434 -2.350 9.958 1.00 23.01 H new ATOM 2014 N ALA B 156 18.260 -2.819 8.740 1.00 0.34 N ATOM 2015 CA ALA B 156 19.349 -3.056 7.768 1.00 24.32 C ATOM 2016 C ALA B 156 18.913 -2.935 6.302 1.00 53.11 C ATOM 2017 O ALA B 156 19.384 -2.050 5.590 1.00 10.22 O ATOM 2018 CB ALA B 156 19.978 -4.433 8.037 1.00 50.22 C ATOM 0 H ALA B 156 18.034 -3.646 9.293 1.00 0.34 H new ATOM 0 HA ALA B 156 20.085 -2.266 7.916 1.00 24.32 H new ATOM 0 HB1 ALA B 156 20.781 -4.612 7.322 1.00 50.22 H new ATOM 0 HB2 ALA B 156 20.381 -4.457 9.050 1.00 50.22 H new ATOM 0 HB3 ALA B 156 19.218 -5.207 7.930 1.00 50.22 H new ATOM 2024 N HIS B 157 18.000 -3.818 5.868 1.00 71.44 N ATOM 2025 CA HIS B 157 17.583 -3.927 4.449 1.00 74.14 C ATOM 2026 C HIS B 157 16.398 -2.990 4.121 1.00 31.30 C ATOM 2027 O HIS B 157 15.823 -3.055 3.031 1.00 32.23 O ATOM 2028 CB HIS B 157 17.199 -5.394 4.136 1.00 62.33 C ATOM 2029 CG HIS B 157 18.327 -6.395 4.201 1.00 52.10 C ATOM 2030 ND1 HIS B 157 18.702 -7.181 3.131 1.00 32.10 N ATOM 2031 CD2 HIS B 157 19.143 -6.753 5.219 1.00 2.15 C ATOM 2032 CE1 HIS B 157 19.692 -7.973 3.495 1.00 22.11 C ATOM 2033 NE2 HIS B 157 19.980 -7.730 4.753 1.00 53.53 N ATOM 0 H HIS B 157 17.527 -4.478 6.485 1.00 71.44 H new ATOM 0 HA HIS B 157 18.424 -3.620 3.827 1.00 74.14 H new ATOM 0 HB2 HIS B 157 16.422 -5.704 4.835 1.00 62.33 H new ATOM 0 HB3 HIS B 157 16.762 -5.431 3.138 1.00 62.33 H new ATOM 0 HD1 HIS B 157 18.280 -7.154 2.203 1.00 32.10 H new ATOM 0 HD2 HIS B 157 19.135 -6.342 6.218 1.00 2.15 H new ATOM 0 HE1 HIS B 157 20.183 -8.699 2.864 1.00 22.11 H new ATOM 2042 N ALA B 158 16.092 -2.089 5.053 1.00 33.13 N ATOM 2043 CA ALA B 158 14.850 -1.315 5.060 1.00 42.12 C ATOM 2044 C ALA B 158 14.922 -0.118 4.100 1.00 12.33 C ATOM 2045 O ALA B 158 15.578 0.886 4.388 1.00 24.32 O ATOM 2046 CB ALA B 158 14.535 -0.855 6.482 1.00 71.43 C ATOM 0 H ALA B 158 16.708 -1.872 5.836 1.00 33.13 H new ATOM 0 HA ALA B 158 14.045 -1.959 4.708 1.00 42.12 H new ATOM 0 HB1 ALA B 158 13.609 -0.279 6.482 1.00 71.43 H new ATOM 0 HB2 ALA B 158 14.421 -1.725 7.129 1.00 71.43 H new ATOM 0 HB3 ALA B 158 15.350 -0.232 6.852 1.00 71.43 H new ATOM 2052 N ARG B 159 14.263 -0.264 2.940 1.00 32.13 N ATOM 2053 CA ARG B 159 14.189 0.778 1.899 1.00 73.12 C ATOM 2054 C ARG B 159 12.742 1.251 1.810 1.00 1.32 C ATOM 2055 O ARG B 159 11.891 0.598 1.187 1.00 45.22 O ATOM 2056 CB ARG B 159 14.720 0.261 0.521 1.00 21.44 C ATOM 2057 CG ARG B 159 16.245 0.396 0.302 1.00 15.34 C ATOM 2058 CD ARG B 159 17.077 -0.362 1.345 1.00 74.14 C ATOM 2059 NE ARG B 159 18.517 -0.097 1.221 1.00 1.40 N ATOM 2060 CZ ARG B 159 19.405 -0.183 2.221 1.00 12.01 C ATOM 2061 NH1 ARG B 159 19.011 -0.519 3.441 1.00 12.22 N ATOM 2062 NH2 ARG B 159 20.679 0.081 2.001 1.00 33.51 N ATOM 0 H ARG B 159 13.761 -1.117 2.694 1.00 32.13 H new ATOM 0 HA ARG B 159 14.833 1.615 2.168 1.00 73.12 H new ATOM 0 HB2 ARG B 159 14.447 -0.789 0.417 1.00 21.44 H new ATOM 0 HB3 ARG B 159 14.207 0.804 -0.273 1.00 21.44 H new ATOM 0 HG2 ARG B 159 16.497 0.026 -0.692 1.00 15.34 H new ATOM 0 HG3 ARG B 159 16.517 1.451 0.328 1.00 15.34 H new ATOM 0 HD2 ARG B 159 16.744 -0.080 2.344 1.00 74.14 H new ATOM 0 HD3 ARG B 159 16.898 -1.432 1.239 1.00 74.14 H new ATOM 0 HE ARG B 159 18.868 0.173 0.302 1.00 1.40 H new ATOM 0 HH11 ARG B 159 18.027 -0.714 3.623 1.00 12.22 H new ATOM 0 HH12 ARG B 159 19.692 -0.583 4.198 1.00 12.22 H new ATOM 0 HH21 ARG B 159 20.990 0.351 1.068 1.00 33.51 H new ATOM 0 HH22 ARG B 159 21.353 0.015 2.764 1.00 33.51 H new ATOM 2076 N TYR B 160 12.465 2.354 2.510 1.00 12.52 N ATOM 2077 CA TYR B 160 11.145 2.986 2.539 1.00 71.53 C ATOM 2078 C TYR B 160 10.983 3.873 1.316 1.00 62.13 C ATOM 2079 O TYR B 160 11.869 4.665 0.994 1.00 54.00 O ATOM 2080 CB TYR B 160 10.968 3.787 3.850 1.00 74.43 C ATOM 2081 CG TYR B 160 11.149 2.887 5.071 1.00 33.20 C ATOM 2082 CD1 TYR B 160 10.148 1.995 5.452 1.00 63.00 C ATOM 2083 CD2 TYR B 160 12.336 2.881 5.794 1.00 1.11 C ATOM 2084 CE1 TYR B 160 10.322 1.142 6.519 1.00 72.20 C ATOM 2085 CE2 TYR B 160 12.514 2.024 6.851 1.00 10.41 C ATOM 2086 CZ TYR B 160 11.509 1.157 7.213 1.00 40.03 C ATOM 2087 OH TYR B 160 11.704 0.296 8.269 1.00 42.32 O ATOM 0 H TYR B 160 13.159 2.838 3.079 1.00 12.52 H new ATOM 0 HA TYR B 160 10.368 2.222 2.513 1.00 71.53 H new ATOM 0 HB2 TYR B 160 11.692 4.601 3.883 1.00 74.43 H new ATOM 0 HB3 TYR B 160 9.977 4.241 3.872 1.00 74.43 H new ATOM 0 HD1 TYR B 160 9.220 1.972 4.901 1.00 63.00 H new ATOM 0 HD2 TYR B 160 13.130 3.560 5.520 1.00 1.11 H new ATOM 0 HE1 TYR B 160 9.531 0.466 6.809 1.00 72.20 H new ATOM 0 HE2 TYR B 160 13.444 2.030 7.399 1.00 10.41 H new ATOM 0 HH TYR B 160 12.597 0.438 8.646 1.00 42.32 H new ATOM 2097 N PHE B 161 9.866 3.681 0.623 1.00 30.03 N ATOM 2098 CA PHE B 161 9.498 4.439 -0.571 1.00 32.20 C ATOM 2099 C PHE B 161 8.050 4.927 -0.399 1.00 74.52 C ATOM 2100 O PHE B 161 7.555 5.053 0.730 1.00 45.31 O ATOM 2101 CB PHE B 161 9.638 3.551 -1.838 1.00 61.34 C ATOM 2102 CG PHE B 161 11.049 3.049 -2.162 1.00 64.02 C ATOM 2103 CD1 PHE B 161 12.019 3.917 -2.657 1.00 44.33 C ATOM 2104 CD2 PHE B 161 11.389 1.700 -2.012 1.00 11.21 C ATOM 2105 CE1 PHE B 161 13.280 3.455 -2.988 1.00 13.53 C ATOM 2106 CE2 PHE B 161 12.651 1.243 -2.342 1.00 54.23 C ATOM 2107 CZ PHE B 161 13.596 2.121 -2.830 1.00 21.53 C ATOM 0 H PHE B 161 9.174 2.978 0.881 1.00 30.03 H new ATOM 0 HA PHE B 161 10.162 5.294 -0.696 1.00 32.20 H new ATOM 0 HB2 PHE B 161 8.985 2.686 -1.723 1.00 61.34 H new ATOM 0 HB3 PHE B 161 9.271 4.116 -2.694 1.00 61.34 H new ATOM 0 HD1 PHE B 161 11.784 4.963 -2.784 1.00 44.33 H new ATOM 0 HD2 PHE B 161 10.654 1.005 -1.633 1.00 11.21 H new ATOM 0 HE1 PHE B 161 14.020 4.141 -3.372 1.00 13.53 H new ATOM 0 HE2 PHE B 161 12.897 0.199 -2.218 1.00 54.23 H new ATOM 0 HZ PHE B 161 14.582 1.765 -3.088 1.00 21.53 H new ATOM 2117 N ILE B 162 7.384 5.242 -1.521 1.00 61.30 N ATOM 2118 CA ILE B 162 5.985 5.686 -1.536 1.00 42.54 C ATOM 2119 C ILE B 162 5.213 4.801 -2.546 1.00 40.44 C ATOM 2120 O ILE B 162 5.824 4.062 -3.327 1.00 24.13 O ATOM 2121 CB ILE B 162 5.901 7.223 -1.919 1.00 22.33 C ATOM 2122 CG1 ILE B 162 6.966 8.059 -1.135 1.00 12.43 C ATOM 2123 CG2 ILE B 162 4.496 7.796 -1.653 1.00 63.53 C ATOM 2124 CD1 ILE B 162 6.937 9.549 -1.396 1.00 50.00 C ATOM 0 H ILE B 162 7.806 5.195 -2.449 1.00 61.30 H new ATOM 0 HA ILE B 162 5.536 5.580 -0.549 1.00 42.54 H new ATOM 0 HB ILE B 162 6.109 7.296 -2.986 1.00 22.33 H new ATOM 0 HG12 ILE B 162 6.822 7.891 -0.068 1.00 12.43 H new ATOM 0 HG13 ILE B 162 7.957 7.682 -1.387 1.00 12.43 H new ATOM 0 HG21 ILE B 162 4.475 8.851 -1.927 1.00 63.53 H new ATOM 0 HG22 ILE B 162 3.763 7.252 -2.248 1.00 63.53 H new ATOM 0 HG23 ILE B 162 4.254 7.691 -0.595 1.00 63.53 H new ATOM 0 HD11 ILE B 162 7.713 10.037 -0.806 1.00 50.00 H new ATOM 0 HD12 ILE B 162 7.115 9.736 -2.455 1.00 50.00 H new ATOM 0 HD13 ILE B 162 5.962 9.949 -1.116 1.00 50.00 H new ATOM 2136 N ILE B 163 3.883 4.856 -2.497 1.00 61.41 N ATOM 2137 CA ILE B 163 2.990 4.149 -3.431 1.00 43.20 C ATOM 2138 C ILE B 163 1.738 5.023 -3.622 1.00 74.24 C ATOM 2139 O ILE B 163 1.259 5.640 -2.671 1.00 60.10 O ATOM 2140 CB ILE B 163 2.651 2.671 -2.908 1.00 54.34 C ATOM 2141 CG1 ILE B 163 3.214 1.579 -3.879 1.00 20.33 C ATOM 2142 CG2 ILE B 163 1.150 2.439 -2.632 1.00 1.32 C ATOM 2143 CD1 ILE B 163 2.922 0.141 -3.464 1.00 61.30 C ATOM 0 H ILE B 163 3.381 5.401 -1.797 1.00 61.41 H new ATOM 0 HA ILE B 163 3.474 4.003 -4.397 1.00 43.20 H new ATOM 0 HB ILE B 163 3.154 2.578 -1.946 1.00 54.34 H new ATOM 0 HG12 ILE B 163 2.798 1.747 -4.872 1.00 20.33 H new ATOM 0 HG13 ILE B 163 4.293 1.707 -3.960 1.00 20.33 H new ATOM 0 HG21 ILE B 163 0.998 1.418 -2.282 1.00 1.32 H new ATOM 0 HG22 ILE B 163 0.808 3.139 -1.870 1.00 1.32 H new ATOM 0 HG23 ILE B 163 0.583 2.596 -3.549 1.00 1.32 H new ATOM 0 HD11 ILE B 163 3.350 -0.543 -4.196 1.00 61.30 H new ATOM 0 HD12 ILE B 163 3.363 -0.052 -2.486 1.00 61.30 H new ATOM 0 HD13 ILE B 163 1.844 -0.011 -3.413 1.00 61.30 H new ATOM 2155 N HIS B 164 1.224 5.101 -4.859 1.00 75.10 N ATOM 2156 CA HIS B 164 0.054 5.937 -5.162 1.00 1.43 C ATOM 2157 C HIS B 164 -1.239 5.239 -4.696 1.00 75.34 C ATOM 2158 O HIS B 164 -1.543 4.130 -5.128 1.00 40.53 O ATOM 2159 CB HIS B 164 -0.011 6.308 -6.675 1.00 34.43 C ATOM 2160 CG HIS B 164 -0.279 5.166 -7.631 1.00 55.15 C ATOM 2161 ND1 HIS B 164 -1.550 4.724 -7.929 1.00 70.41 N ATOM 2162 CD2 HIS B 164 0.554 4.402 -8.365 1.00 24.04 C ATOM 2163 CE1 HIS B 164 -1.480 3.741 -8.795 1.00 61.23 C ATOM 2164 NE2 HIS B 164 -0.218 3.531 -9.090 1.00 42.32 N ATOM 0 H HIS B 164 1.599 4.597 -5.663 1.00 75.10 H new ATOM 0 HA HIS B 164 0.155 6.872 -4.611 1.00 1.43 H new ATOM 0 HB2 HIS B 164 -0.790 7.059 -6.811 1.00 34.43 H new ATOM 0 HB3 HIS B 164 0.934 6.775 -6.954 1.00 34.43 H new ATOM 0 HD1 HIS B 164 -2.412 5.103 -7.537 1.00 70.41 H new ATOM 0 HD2 HIS B 164 1.632 4.464 -8.380 1.00 24.04 H new ATOM 0 HE1 HIS B 164 -2.320 3.195 -9.198 1.00 61.23 H new ATOM 2173 N ALA B 165 -1.963 5.890 -3.776 1.00 54.31 N ATOM 2174 CA ALA B 165 -3.318 5.465 -3.357 1.00 62.41 C ATOM 2175 C ALA B 165 -4.378 6.327 -4.044 1.00 3.31 C ATOM 2176 O ALA B 165 -5.577 6.072 -3.913 1.00 55.11 O ATOM 2177 CB ALA B 165 -3.450 5.568 -1.841 1.00 11.15 C ATOM 0 H ALA B 165 -1.631 6.727 -3.297 1.00 54.31 H new ATOM 0 HA ALA B 165 -3.471 4.427 -3.653 1.00 62.41 H new ATOM 0 HB1 ALA B 165 -4.450 5.254 -1.541 1.00 11.15 H new ATOM 0 HB2 ALA B 165 -2.709 4.924 -1.367 1.00 11.15 H new ATOM 0 HB3 ALA B 165 -3.286 6.600 -1.531 1.00 11.15 H new ATOM 2183 N HIS B 166 -3.903 7.358 -4.783 1.00 63.12 N ATOM 2184 CA HIS B 166 -4.762 8.287 -5.534 1.00 22.22 C ATOM 2185 C HIS B 166 -5.469 7.560 -6.700 1.00 54.42 C ATOM 2186 O HIS B 166 -6.473 8.036 -7.238 1.00 14.50 O ATOM 2187 CB HIS B 166 -3.925 9.503 -6.032 1.00 34.40 C ATOM 2188 CG HIS B 166 -4.720 10.782 -6.187 1.00 64.35 C ATOM 2189 ND1 HIS B 166 -5.847 10.881 -6.961 1.00 33.33 N ATOM 2190 CD2 HIS B 166 -4.565 11.999 -5.609 1.00 30.34 C ATOM 2191 CE1 HIS B 166 -6.347 12.094 -6.851 1.00 40.11 C ATOM 2192 NE2 HIS B 166 -5.588 12.791 -6.035 1.00 72.04 N ATOM 0 H HIS B 166 -2.908 7.564 -4.871 1.00 63.12 H new ATOM 0 HA HIS B 166 -5.541 8.664 -4.872 1.00 22.22 H new ATOM 0 HB2 HIS B 166 -3.108 9.679 -5.332 1.00 34.40 H new ATOM 0 HB3 HIS B 166 -3.474 9.251 -6.991 1.00 34.40 H new ATOM 0 HD1 HIS B 166 -6.237 10.132 -7.533 1.00 33.33 H new ATOM 0 HD2 HIS B 166 -3.774 12.288 -4.933 1.00 30.34 H new ATOM 0 HE1 HIS B 166 -7.234 12.456 -7.349 1.00 40.11 H new ATOM 2201 N LYS B 167 -4.906 6.402 -7.066 1.00 74.24 N ATOM 2202 CA LYS B 167 -5.493 5.454 -8.007 1.00 32.24 C ATOM 2203 C LYS B 167 -5.246 4.041 -7.467 1.00 10.24 C ATOM 2204 O LYS B 167 -4.112 3.700 -7.113 1.00 10.44 O ATOM 2205 CB LYS B 167 -4.859 5.623 -9.416 1.00 43.02 C ATOM 2206 CG LYS B 167 -5.406 4.655 -10.490 1.00 51.24 C ATOM 2207 CD LYS B 167 -4.792 4.891 -11.894 1.00 65.41 C ATOM 2208 CE LYS B 167 -5.396 3.954 -12.949 1.00 31.21 C ATOM 2209 NZ LYS B 167 -4.821 4.167 -14.297 1.00 71.42 N ATOM 0 H LYS B 167 -4.004 6.095 -6.703 1.00 74.24 H new ATOM 0 HA LYS B 167 -6.563 5.634 -8.107 1.00 32.24 H new ATOM 0 HB2 LYS B 167 -5.022 6.647 -9.752 1.00 43.02 H new ATOM 0 HB3 LYS B 167 -3.781 5.482 -9.334 1.00 43.02 H new ATOM 0 HG2 LYS B 167 -5.206 3.629 -10.181 1.00 51.24 H new ATOM 0 HG3 LYS B 167 -6.489 4.764 -10.551 1.00 51.24 H new ATOM 0 HD2 LYS B 167 -4.956 5.927 -12.192 1.00 65.41 H new ATOM 0 HD3 LYS B 167 -3.714 4.739 -11.849 1.00 65.41 H new ATOM 0 HE2 LYS B 167 -5.232 2.920 -12.647 1.00 31.21 H new ATOM 0 HE3 LYS B 167 -6.475 4.106 -12.990 1.00 31.21 H new ATOM 0 HZ1 LYS B 167 -5.263 3.510 -14.971 1.00 71.42 H new ATOM 0 HZ2 LYS B 167 -5.000 5.146 -14.600 1.00 71.42 H new ATOM 0 HZ3 LYS B 167 -3.796 3.996 -14.268 1.00 71.42 H new ATOM 2223 N LEU B 168 -6.314 3.250 -7.354 1.00 11.41 N ATOM 2224 CA LEU B 168 -6.231 1.823 -7.001 1.00 62.13 C ATOM 2225 C LEU B 168 -6.425 0.986 -8.274 1.00 24.35 C ATOM 2226 O LEU B 168 -7.223 1.357 -9.149 1.00 45.44 O ATOM 2227 CB LEU B 168 -7.308 1.469 -5.942 1.00 44.21 C ATOM 2228 CG LEU B 168 -7.167 2.181 -4.560 1.00 24.23 C ATOM 2229 CD1 LEU B 168 -8.391 1.945 -3.653 1.00 71.42 C ATOM 2230 CD2 LEU B 168 -5.869 1.775 -3.845 1.00 70.01 C ATOM 0 H LEU B 168 -7.268 3.578 -7.505 1.00 11.41 H new ATOM 0 HA LEU B 168 -5.254 1.605 -6.571 1.00 62.13 H new ATOM 0 HB2 LEU B 168 -8.288 1.710 -6.354 1.00 44.21 H new ATOM 0 HB3 LEU B 168 -7.287 0.392 -5.777 1.00 44.21 H new ATOM 0 HG LEU B 168 -7.119 3.250 -4.766 1.00 24.23 H new ATOM 0 HD11 LEU B 168 -8.245 2.460 -2.704 1.00 71.42 H new ATOM 0 HD12 LEU B 168 -9.286 2.331 -4.142 1.00 71.42 H new ATOM 0 HD13 LEU B 168 -8.509 0.877 -3.472 1.00 71.42 H new ATOM 0 HD21 LEU B 168 -5.805 2.290 -2.887 1.00 70.01 H new ATOM 0 HD22 LEU B 168 -5.867 0.698 -3.679 1.00 70.01 H new ATOM 0 HD23 LEU B 168 -5.013 2.049 -4.462 1.00 70.01 H new ATOM 2242 N LEU B 169 -5.676 -0.122 -8.384 1.00 3.11 N ATOM 2243 CA LEU B 169 -5.844 -1.092 -9.463 1.00 2.34 C ATOM 2244 C LEU B 169 -7.183 -1.815 -9.261 1.00 4.20 C ATOM 2245 O LEU B 169 -7.360 -2.522 -8.261 1.00 54.13 O ATOM 2246 CB LEU B 169 -4.657 -2.097 -9.499 1.00 31.15 C ATOM 2247 CG LEU B 169 -3.244 -1.468 -9.715 1.00 30.53 C ATOM 2248 CD1 LEU B 169 -2.144 -2.548 -9.789 1.00 31.13 C ATOM 2249 CD2 LEU B 169 -3.209 -0.553 -10.956 1.00 41.54 C ATOM 0 H LEU B 169 -4.938 -0.366 -7.724 1.00 3.11 H new ATOM 0 HA LEU B 169 -5.851 -0.578 -10.424 1.00 2.34 H new ATOM 0 HB2 LEU B 169 -4.647 -2.653 -8.562 1.00 31.15 H new ATOM 0 HB3 LEU B 169 -4.839 -2.818 -10.296 1.00 31.15 H new ATOM 0 HG LEU B 169 -3.037 -0.847 -8.844 1.00 30.53 H new ATOM 0 HD11 LEU B 169 -1.176 -2.071 -9.940 1.00 31.13 H new ATOM 0 HD12 LEU B 169 -2.128 -3.116 -8.859 1.00 31.13 H new ATOM 0 HD13 LEU B 169 -2.350 -3.221 -10.621 1.00 31.13 H new ATOM 0 HD21 LEU B 169 -2.209 -0.135 -11.072 1.00 41.54 H new ATOM 0 HD22 LEU B 169 -3.465 -1.133 -11.843 1.00 41.54 H new ATOM 0 HD23 LEU B 169 -3.928 0.256 -10.832 1.00 41.54 H new ATOM 2261 N ASP B 170 -8.134 -1.533 -10.166 1.00 41.20 N ATOM 2262 CA ASP B 170 -9.459 -2.167 -10.185 1.00 72.03 C ATOM 2263 C ASP B 170 -9.361 -3.536 -10.898 1.00 13.41 C ATOM 2264 O ASP B 170 -9.188 -3.605 -12.115 1.00 24.35 O ATOM 2265 CB ASP B 170 -10.523 -1.242 -10.855 1.00 3.43 C ATOM 2266 CG ASP B 170 -10.163 -0.807 -12.291 1.00 51.31 C ATOM 2267 OD1 ASP B 170 -9.259 0.046 -12.453 1.00 50.10 O ATOM 2268 OD2 ASP B 170 -10.760 -1.331 -13.259 1.00 55.11 O ATOM 0 H ASP B 170 -8.001 -0.851 -10.913 1.00 41.20 H new ATOM 0 HA ASP B 170 -9.791 -2.330 -9.159 1.00 72.03 H new ATOM 0 HB2 ASP B 170 -11.481 -1.762 -10.873 1.00 3.43 H new ATOM 0 HB3 ASP B 170 -10.655 -0.352 -10.239 1.00 3.43 H new ATOM 2273 N PRO B 171 -9.417 -4.667 -10.142 1.00 15.24 N ATOM 2274 CA PRO B 171 -9.356 -6.029 -10.717 1.00 13.33 C ATOM 2275 C PRO B 171 -10.697 -6.500 -11.302 1.00 32.33 C ATOM 2276 O PRO B 171 -10.804 -7.627 -11.780 1.00 10.45 O ATOM 2277 CB PRO B 171 -8.907 -6.897 -9.515 1.00 32.22 C ATOM 2278 CG PRO B 171 -8.546 -5.911 -8.446 1.00 42.04 C ATOM 2279 CD PRO B 171 -9.467 -4.753 -8.671 1.00 15.54 C ATOM 0 HA PRO B 171 -8.678 -6.087 -11.569 1.00 13.33 H new ATOM 0 HB2 PRO B 171 -9.706 -7.562 -9.187 1.00 32.22 H new ATOM 0 HB3 PRO B 171 -8.056 -7.526 -9.777 1.00 32.22 H new ATOM 0 HG2 PRO B 171 -8.681 -6.337 -7.452 1.00 42.04 H new ATOM 0 HG3 PRO B 171 -7.502 -5.608 -8.523 1.00 42.04 H new ATOM 0 HD2 PRO B 171 -10.474 -4.943 -8.299 1.00 15.54 H new ATOM 0 HD3 PRO B 171 -9.115 -3.841 -8.188 1.00 15.54 H new