USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 743 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 112 THR OG1 : rot -160:sc= -0.967 USER MOD Set 1.2: A 132 ASN : amide:sc= -0.644 K(o=-1.6,f=-4.5!) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -133:sc= 0.29 (180deg=0) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.614 K(o=0.9,f=-8.6!) USER MOD Single : A 32 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.00011) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 103:sc= 1.16 USER MOD Single : A 41 SER OG : rot 41:sc= 0.369 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 68:sc= 1.06 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.15 X(o=-2.2,f=-2.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 60 ASN : amide:sc= -2.68 K(o=-2.7,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00981 USER MOD Single : A 64 THR OG1 : rot -18:sc= 0.578 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 106:sc= -0.474 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -25:sc= 0.357 USER MOD Single : A 83 THR OG1 : rot 70:sc= -1.11 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0928 USER MOD Single : A 90 SER OG : rot -44:sc= 0.508 USER MOD Single : A 94 THR OG1 : rot 45:sc= 0.375 USER MOD Single : A 98 THR OG1 : rot 91:sc= 0.163 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.294 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 111 LYS NZ :NH3+ -161:sc= -0.258 (180deg=-0.765) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 119 ASN : amide:sc= -3 X(o=-3,f=-3.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 81:sc= 0.832 USER MOD Single : A 130 THR OG1 : rot -15:sc= 0.549 USER MOD Single : A 131 SER OG : rot 180:sc= -2.57! USER MOD Single : A 143 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.2!) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N ALA A 31 -12.057 -12.620 -4.326 1.00 0.00 N ATOM 138 CA ALA A 31 -10.958 -11.660 -4.260 1.00 0.00 C ATOM 139 C ALA A 31 -11.116 -10.592 -5.337 1.00 0.00 C ATOM 140 O ALA A 31 -10.731 -9.439 -5.149 1.00 0.00 O ATOM 141 CB ALA A 31 -9.616 -12.369 -4.455 1.00 0.00 C ATOM 0 HA ALA A 31 -10.982 -11.190 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.808 -11.639 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.482 -13.115 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.601 -12.858 -5.429 1.00 0.00 H new ATOM 147 N GLN A 32 -11.689 -10.989 -6.470 1.00 0.00 N ATOM 148 CA GLN A 32 -11.894 -10.058 -7.577 1.00 0.00 C ATOM 149 C GLN A 32 -12.814 -8.916 -7.151 1.00 0.00 C ATOM 150 O GLN A 32 -12.681 -7.786 -7.620 1.00 0.00 O ATOM 151 CB GLN A 32 -12.515 -10.779 -8.775 1.00 0.00 C ATOM 152 CG GLN A 32 -12.522 -9.845 -9.987 1.00 0.00 C ATOM 153 CD GLN A 32 -12.800 -10.651 -11.251 1.00 0.00 C ATOM 154 OE1 GLN A 32 -13.763 -10.380 -11.970 1.00 0.00 O ATOM 155 NE2 GLN A 32 -12.008 -11.638 -11.569 1.00 0.00 N ATOM 0 H GLN A 32 -12.017 -11.939 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.922 -9.654 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.949 -11.682 -9.002 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.532 -11.091 -8.538 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.282 -9.074 -9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.562 -9.336 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.210 -11.864 -10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.187 -12.184 -12.412 1.00 0.00 H new ATOM 164 N LEU A 33 -13.750 -9.225 -6.259 1.00 0.00 N ATOM 165 CA LEU A 33 -14.691 -8.219 -5.774 1.00 0.00 C ATOM 166 C LEU A 33 -14.009 -7.276 -4.787 1.00 0.00 C ATOM 167 O LEU A 33 -14.023 -6.058 -4.960 1.00 0.00 O ATOM 168 CB LEU A 33 -15.879 -8.888 -5.081 1.00 0.00 C ATOM 169 CG LEU A 33 -17.109 -7.996 -4.895 1.00 0.00 C ATOM 170 CD1 LEU A 33 -17.620 -7.537 -6.263 1.00 0.00 C ATOM 171 CD2 LEU A 33 -18.206 -8.786 -4.180 1.00 0.00 C ATOM 0 H LEU A 33 -13.878 -10.155 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.043 -7.650 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -16.170 -9.765 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.556 -9.243 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.839 -7.125 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.496 -6.902 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.838 -6.975 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.890 -8.407 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -19.083 -8.152 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.475 -9.657 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.843 -9.113 -3.206 1.00 0.00 H new ATOM 183 N SER A 34 -13.417 -7.856 -3.748 1.00 0.00 N ATOM 184 CA SER A 34 -12.734 -7.060 -2.731 1.00 0.00 C ATOM 185 C SER A 34 -11.530 -6.340 -3.332 1.00 0.00 C ATOM 186 O SER A 34 -11.357 -5.134 -3.155 1.00 0.00 O ATOM 187 CB SER A 34 -12.257 -7.952 -1.584 1.00 0.00 C ATOM 188 OG SER A 34 -12.113 -7.167 -0.408 1.00 0.00 O ATOM 0 H SER A 34 -13.395 -8.863 -3.587 1.00 0.00 H new ATOM 0 HA SER A 34 -13.443 -6.325 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.972 -8.757 -1.413 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.307 -8.419 -1.842 1.00 0.00 H new ATOM 0 HG SER A 34 -11.809 -7.736 0.330 1.00 0.00 H new ATOM 194 N GLU A 35 -10.697 -7.095 -4.043 1.00 0.00 N ATOM 195 CA GLU A 35 -9.506 -6.523 -4.666 1.00 0.00 C ATOM 196 C GLU A 35 -9.890 -5.443 -5.675 1.00 0.00 C ATOM 197 O GLU A 35 -9.144 -4.489 -5.897 1.00 0.00 O ATOM 198 CB GLU A 35 -8.700 -7.609 -5.382 1.00 0.00 C ATOM 199 CG GLU A 35 -7.249 -7.145 -5.560 1.00 0.00 C ATOM 200 CD GLU A 35 -7.040 -6.636 -6.984 1.00 0.00 C ATOM 201 OE1 GLU A 35 -7.971 -6.069 -7.532 1.00 0.00 O ATOM 202 OE2 GLU A 35 -5.952 -6.820 -7.504 1.00 0.00 O ATOM 0 H GLU A 35 -10.822 -8.095 -4.202 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.899 -6.080 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.728 -8.534 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.145 -7.824 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.020 -6.355 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.566 -7.969 -5.355 1.00 0.00 H new ATOM 209 N ALA A 36 -11.061 -5.605 -6.289 1.00 0.00 N ATOM 210 CA ALA A 36 -11.533 -4.637 -7.278 1.00 0.00 C ATOM 211 C ALA A 36 -11.652 -3.247 -6.657 1.00 0.00 C ATOM 212 O ALA A 36 -10.996 -2.300 -7.091 1.00 0.00 O ATOM 213 CB ALA A 36 -12.898 -5.055 -7.830 1.00 0.00 C ATOM 0 H ALA A 36 -11.694 -6.387 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.806 -4.609 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.233 -4.323 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.815 -6.033 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.620 -5.108 -7.015 1.00 0.00 H new ATOM 219 N MET A 37 -12.495 -3.137 -5.635 1.00 0.00 N ATOM 220 CA MET A 37 -12.691 -1.857 -4.960 1.00 0.00 C ATOM 221 C MET A 37 -11.391 -1.394 -4.308 1.00 0.00 C ATOM 222 O MET A 37 -11.116 -0.197 -4.218 1.00 0.00 O ATOM 223 CB MET A 37 -13.779 -1.972 -3.887 1.00 0.00 C ATOM 224 CG MET A 37 -13.420 -3.083 -2.898 1.00 0.00 C ATOM 225 SD MET A 37 -14.609 -3.084 -1.533 1.00 0.00 S ATOM 226 CE MET A 37 -13.444 -2.647 -0.219 1.00 0.00 C ATOM 0 H MET A 37 -13.047 -3.908 -5.259 1.00 0.00 H new ATOM 0 HA MET A 37 -13.001 -1.128 -5.708 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.884 -1.024 -3.360 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.741 -2.185 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.428 -4.050 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.411 -2.931 -2.515 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.973 -2.591 0.732 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.664 -3.406 -0.157 1.00 0.00 H new ATOM 0 HE3 MET A 37 -12.992 -1.680 -0.440 1.00 0.00 H new ATOM 236 N THR A 38 -10.593 -2.358 -3.856 1.00 0.00 N ATOM 237 CA THR A 38 -9.320 -2.042 -3.215 1.00 0.00 C ATOM 238 C THR A 38 -8.338 -1.475 -4.233 1.00 0.00 C ATOM 239 O THR A 38 -7.609 -0.524 -3.952 1.00 0.00 O ATOM 240 CB THR A 38 -8.713 -3.296 -2.580 1.00 0.00 C ATOM 241 OG1 THR A 38 -9.684 -3.926 -1.757 1.00 0.00 O ATOM 242 CG2 THR A 38 -7.500 -2.906 -1.735 1.00 0.00 C ATOM 0 H THR A 38 -10.802 -3.354 -3.921 1.00 0.00 H new ATOM 0 HA THR A 38 -9.509 -1.299 -2.440 1.00 0.00 H new ATOM 0 HB THR A 38 -8.400 -3.985 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.052 -4.706 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.069 -3.799 -1.283 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.755 -2.424 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.810 -2.216 -0.950 1.00 0.00 H new ATOM 250 N LEU A 39 -8.329 -2.069 -5.423 1.00 0.00 N ATOM 251 CA LEU A 39 -7.433 -1.615 -6.483 1.00 0.00 C ATOM 252 C LEU A 39 -7.763 -0.179 -6.876 1.00 0.00 C ATOM 253 O LEU A 39 -6.881 0.600 -7.236 1.00 0.00 O ATOM 254 CB LEU A 39 -7.559 -2.510 -7.715 1.00 0.00 C ATOM 255 CG LEU A 39 -6.315 -2.570 -8.604 1.00 0.00 C ATOM 256 CD1 LEU A 39 -6.038 -1.183 -9.190 1.00 0.00 C ATOM 257 CD2 LEU A 39 -5.114 -3.017 -7.770 1.00 0.00 C ATOM 0 H LEU A 39 -8.925 -2.857 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.412 -1.665 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.801 -3.521 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.399 -2.160 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.482 -3.281 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.152 -1.226 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.893 -0.862 -9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.871 -0.473 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.227 -3.060 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.948 -2.306 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.309 -4.004 -7.351 1.00 0.00 H new ATOM 269 N ALA A 40 -9.047 0.162 -6.800 1.00 0.00 N ATOM 270 CA ALA A 40 -9.489 1.510 -7.148 1.00 0.00 C ATOM 271 C ALA A 40 -8.839 2.538 -6.228 1.00 0.00 C ATOM 272 O ALA A 40 -8.214 3.495 -6.686 1.00 0.00 O ATOM 273 CB ALA A 40 -11.011 1.624 -7.026 1.00 0.00 C ATOM 0 H ALA A 40 -9.792 -0.468 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.192 1.705 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.322 2.635 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.485 0.911 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.311 1.407 -6.001 1.00 0.00 H new ATOM 279 N SER A 41 -8.990 2.326 -4.924 1.00 0.00 N ATOM 280 CA SER A 41 -8.411 3.237 -3.942 1.00 0.00 C ATOM 281 C SER A 41 -6.891 3.104 -3.930 1.00 0.00 C ATOM 282 O SER A 41 -6.168 4.086 -3.756 1.00 0.00 O ATOM 283 CB SER A 41 -8.950 2.932 -2.545 1.00 0.00 C ATOM 284 OG SER A 41 -9.258 1.548 -2.451 1.00 0.00 O ATOM 0 H SER A 41 -9.503 1.540 -4.526 1.00 0.00 H new ATOM 0 HA SER A 41 -8.686 4.254 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.212 3.204 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.841 3.529 -2.348 1.00 0.00 H new ATOM 0 HG SER A 41 -8.555 1.026 -2.891 1.00 0.00 H new ATOM 290 N GLY A 42 -6.416 1.876 -4.118 1.00 0.00 N ATOM 291 CA GLY A 42 -4.978 1.617 -4.129 1.00 0.00 C ATOM 292 C GLY A 42 -4.300 2.393 -5.252 1.00 0.00 C ATOM 293 O GLY A 42 -3.307 3.085 -5.036 1.00 0.00 O ATOM 0 H GLY A 42 -6.998 1.051 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.545 1.902 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.797 0.550 -4.256 1.00 0.00 H new ATOM 297 N LEU A 43 -4.847 2.269 -6.457 1.00 0.00 N ATOM 298 CA LEU A 43 -4.290 2.963 -7.611 1.00 0.00 C ATOM 299 C LEU A 43 -4.419 4.480 -7.450 1.00 0.00 C ATOM 300 O LEU A 43 -3.653 5.243 -8.034 1.00 0.00 O ATOM 301 CB LEU A 43 -5.010 2.527 -8.893 1.00 0.00 C ATOM 302 CG LEU A 43 -4.110 2.347 -10.117 1.00 0.00 C ATOM 303 CD1 LEU A 43 -3.295 3.621 -10.346 1.00 0.00 C ATOM 304 CD2 LEU A 43 -3.159 1.172 -9.881 1.00 0.00 C ATOM 0 H LEU A 43 -5.669 1.699 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.234 2.703 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.525 1.586 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.775 3.266 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.727 2.148 -10.993 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.654 3.491 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.971 4.460 -10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.679 3.821 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.517 1.043 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.544 1.372 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.738 0.263 -9.718 1.00 0.00 H new ATOM 316 N LYS A 44 -5.400 4.908 -6.655 1.00 0.00 N ATOM 317 CA LYS A 44 -5.620 6.336 -6.434 1.00 0.00 C ATOM 318 C LYS A 44 -4.424 6.969 -5.728 1.00 0.00 C ATOM 319 O LYS A 44 -3.990 8.068 -6.076 1.00 0.00 O ATOM 320 CB LYS A 44 -6.871 6.558 -5.583 1.00 0.00 C ATOM 321 CG LYS A 44 -7.334 8.009 -5.715 1.00 0.00 C ATOM 322 CD LYS A 44 -6.799 8.830 -4.540 1.00 0.00 C ATOM 323 CE LYS A 44 -7.646 8.556 -3.296 1.00 0.00 C ATOM 324 NZ LYS A 44 -6.790 8.652 -2.080 1.00 0.00 N ATOM 0 H LYS A 44 -6.047 4.295 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.750 6.805 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.665 5.883 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.658 6.328 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.980 8.430 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.423 8.053 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.758 8.572 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.825 9.892 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.464 9.273 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.095 7.565 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.366 8.466 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.024 7.951 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.382 9.606 -2.017 1.00 0.00 H new ATOM 338 N THR A 45 -3.898 6.270 -4.726 1.00 0.00 N ATOM 339 CA THR A 45 -2.753 6.784 -3.978 1.00 0.00 C ATOM 340 C THR A 45 -1.459 6.611 -4.774 1.00 0.00 C ATOM 341 O THR A 45 -0.503 7.365 -4.597 1.00 0.00 O ATOM 342 CB THR A 45 -2.615 6.063 -2.634 1.00 0.00 C ATOM 343 OG1 THR A 45 -1.443 6.517 -1.973 1.00 0.00 O ATOM 344 CG2 THR A 45 -2.521 4.556 -2.864 1.00 0.00 C ATOM 0 H THR A 45 -4.239 5.360 -4.416 1.00 0.00 H new ATOM 0 HA THR A 45 -2.926 7.846 -3.802 1.00 0.00 H new ATOM 0 HB THR A 45 -3.488 6.278 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.354 6.057 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.423 4.047 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.422 4.208 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.651 4.336 -3.482 1.00 0.00 H new ATOM 352 N LYS A 46 -1.437 5.610 -5.655 1.00 0.00 N ATOM 353 CA LYS A 46 -0.249 5.357 -6.469 1.00 0.00 C ATOM 354 C LYS A 46 -0.201 6.310 -7.661 1.00 0.00 C ATOM 355 O LYS A 46 0.826 6.931 -7.933 1.00 0.00 O ATOM 356 CB LYS A 46 -0.244 3.917 -6.986 1.00 0.00 C ATOM 357 CG LYS A 46 -0.283 2.943 -5.804 1.00 0.00 C ATOM 358 CD LYS A 46 1.055 2.976 -5.060 1.00 0.00 C ATOM 359 CE LYS A 46 2.164 2.451 -5.973 1.00 0.00 C ATOM 360 NZ LYS A 46 3.381 2.162 -5.163 1.00 0.00 N ATOM 0 H LYS A 46 -2.215 4.971 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 46 0.625 5.519 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.104 3.751 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.648 3.739 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.093 3.212 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.487 1.933 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.282 3.994 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.995 2.368 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.831 1.547 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.394 3.187 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.215 2.568 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.277 2.583 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.501 1.133 -5.072 1.00 0.00 H new ATOM 374 N VAL A 47 -1.324 6.418 -8.372 1.00 0.00 N ATOM 375 CA VAL A 47 -1.399 7.297 -9.540 1.00 0.00 C ATOM 376 C VAL A 47 -1.073 8.740 -9.148 1.00 0.00 C ATOM 377 O VAL A 47 -0.427 9.474 -9.899 1.00 0.00 O ATOM 378 CB VAL A 47 -2.798 7.227 -10.176 1.00 0.00 C ATOM 379 CG1 VAL A 47 -3.854 7.723 -9.183 1.00 0.00 C ATOM 380 CG2 VAL A 47 -2.841 8.093 -11.439 1.00 0.00 C ATOM 0 H VAL A 47 -2.186 5.914 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.664 6.959 -10.270 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.011 6.191 -10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.840 7.669 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.836 7.098 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.638 8.755 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.835 8.038 -11.884 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.616 9.127 -11.179 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.103 7.730 -12.154 1.00 0.00 H new ATOM 390 N SER A 48 -1.518 9.135 -7.955 1.00 0.00 N ATOM 391 CA SER A 48 -1.263 10.488 -7.465 1.00 0.00 C ATOM 392 C SER A 48 0.238 10.756 -7.414 1.00 0.00 C ATOM 393 O SER A 48 0.695 11.874 -7.652 1.00 0.00 O ATOM 394 CB SER A 48 -1.850 10.671 -6.065 1.00 0.00 C ATOM 395 OG SER A 48 -3.254 10.457 -6.114 1.00 0.00 O ATOM 0 H SER A 48 -2.051 8.544 -7.317 1.00 0.00 H new ATOM 0 HA SER A 48 -1.738 11.191 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.388 9.970 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.636 11.674 -5.696 1.00 0.00 H new ATOM 0 HG SER A 48 -3.435 9.513 -6.304 1.00 0.00 H new ATOM 401 N ASP A 49 0.996 9.708 -7.104 1.00 0.00 N ATOM 402 CA ASP A 49 2.448 9.825 -7.029 1.00 0.00 C ATOM 403 C ASP A 49 3.054 9.884 -8.428 1.00 0.00 C ATOM 404 O ASP A 49 4.062 10.551 -8.650 1.00 0.00 O ATOM 405 CB ASP A 49 3.044 8.633 -6.278 1.00 0.00 C ATOM 406 CG ASP A 49 2.419 8.542 -4.891 1.00 0.00 C ATOM 407 OD1 ASP A 49 2.204 9.582 -4.290 1.00 0.00 O ATOM 408 OD2 ASP A 49 2.163 7.433 -4.448 1.00 0.00 O ATOM 0 H ASP A 49 0.633 8.776 -6.902 1.00 0.00 H new ATOM 0 HA ASP A 49 2.682 10.745 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.861 7.712 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.125 8.746 -6.195 1.00 0.00 H new ATOM 413 N ILE A 50 2.426 9.175 -9.370 1.00 0.00 N ATOM 414 CA ILE A 50 2.917 9.150 -10.752 1.00 0.00 C ATOM 415 C ILE A 50 2.961 10.564 -11.331 1.00 0.00 C ATOM 416 O ILE A 50 3.827 10.889 -12.143 1.00 0.00 O ATOM 417 CB ILE A 50 2.027 8.259 -11.631 1.00 0.00 C ATOM 418 CG1 ILE A 50 1.977 6.846 -11.038 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.608 8.190 -13.048 1.00 0.00 C ATOM 420 CD1 ILE A 50 0.993 5.986 -11.834 1.00 0.00 C ATOM 0 H ILE A 50 1.588 8.617 -9.206 1.00 0.00 H new ATOM 0 HA ILE A 50 3.926 8.738 -10.742 1.00 0.00 H new ATOM 0 HB ILE A 50 1.022 8.679 -11.669 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.970 6.396 -11.062 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.672 6.891 -9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.975 7.557 -13.670 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.649 9.193 -13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.613 7.771 -13.009 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.961 4.983 -11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.000 6.432 -11.787 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.317 5.930 -12.873 1.00 0.00 H new ATOM 432 N PHE A 51 2.027 11.403 -10.899 1.00 0.00 N ATOM 433 CA PHE A 51 1.989 12.784 -11.372 1.00 0.00 C ATOM 434 C PHE A 51 2.817 13.674 -10.439 1.00 0.00 C ATOM 435 O PHE A 51 3.335 14.709 -10.852 1.00 0.00 O ATOM 436 CB PHE A 51 0.534 13.295 -11.436 1.00 0.00 C ATOM 437 CG PHE A 51 0.497 14.774 -11.784 1.00 0.00 C ATOM 438 CD1 PHE A 51 0.651 15.196 -13.112 1.00 0.00 C ATOM 439 CD2 PHE A 51 0.314 15.721 -10.769 1.00 0.00 C ATOM 440 CE1 PHE A 51 0.622 16.561 -13.421 1.00 0.00 C ATOM 441 CE2 PHE A 51 0.283 17.086 -11.079 1.00 0.00 C ATOM 442 CZ PHE A 51 0.438 17.505 -12.405 1.00 0.00 C ATOM 0 H PHE A 51 1.295 11.158 -10.232 1.00 0.00 H new ATOM 0 HA PHE A 51 2.413 12.822 -12.376 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.023 12.727 -12.181 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.043 13.130 -10.477 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.792 14.468 -13.897 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.197 15.398 -9.745 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.742 16.886 -14.444 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.140 17.815 -10.295 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.416 18.558 -12.644 1.00 0.00 H new ATOM 452 N SER A 52 2.923 13.267 -9.176 1.00 0.00 N ATOM 453 CA SER A 52 3.675 14.047 -8.199 1.00 0.00 C ATOM 454 C SER A 52 5.182 13.826 -8.347 1.00 0.00 C ATOM 455 O SER A 52 5.981 14.692 -7.991 1.00 0.00 O ATOM 456 CB SER A 52 3.256 13.666 -6.781 1.00 0.00 C ATOM 457 OG SER A 52 3.636 14.702 -5.884 1.00 0.00 O ATOM 0 H SER A 52 2.503 12.413 -8.809 1.00 0.00 H new ATOM 0 HA SER A 52 3.454 15.098 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.178 13.509 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.727 12.727 -6.490 1.00 0.00 H new ATOM 0 HG SER A 52 3.367 14.461 -4.973 1.00 0.00 H new ATOM 463 N GLN A 53 5.568 12.653 -8.854 1.00 0.00 N ATOM 464 CA GLN A 53 6.999 12.335 -9.015 1.00 0.00 C ATOM 465 C GLN A 53 7.732 13.420 -9.813 1.00 0.00 C ATOM 466 O GLN A 53 8.509 14.193 -9.251 1.00 0.00 O ATOM 467 CB GLN A 53 7.240 10.962 -9.688 1.00 0.00 C ATOM 468 CG GLN A 53 6.125 10.611 -10.686 1.00 0.00 C ATOM 469 CD GLN A 53 6.726 10.006 -11.955 1.00 0.00 C ATOM 470 OE1 GLN A 53 7.631 10.583 -12.557 1.00 0.00 O ATOM 471 NE2 GLN A 53 6.272 8.861 -12.401 1.00 0.00 N ATOM 0 H GLN A 53 4.929 11.918 -9.156 1.00 0.00 H new ATOM 0 HA GLN A 53 7.402 12.292 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.200 10.974 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.300 10.188 -8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.429 9.906 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.555 11.506 -10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.522 8.381 -11.903 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.669 8.449 -13.246 1.00 0.00 H new ATOM 480 N ASP A 54 7.495 13.467 -11.121 1.00 0.00 N ATOM 481 CA ASP A 54 8.160 14.458 -11.967 1.00 0.00 C ATOM 482 C ASP A 54 7.334 15.740 -12.076 1.00 0.00 C ATOM 483 O ASP A 54 7.877 16.827 -12.265 1.00 0.00 O ATOM 484 CB ASP A 54 8.384 13.896 -13.371 1.00 0.00 C ATOM 485 CG ASP A 54 9.551 12.913 -13.345 1.00 0.00 C ATOM 486 OD1 ASP A 54 9.658 12.178 -12.378 1.00 0.00 O ATOM 487 OD2 ASP A 54 10.319 12.913 -14.292 1.00 0.00 O ATOM 0 H ASP A 54 6.858 12.842 -11.614 1.00 0.00 H new ATOM 0 HA ASP A 54 9.118 14.691 -11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.481 13.396 -13.723 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.592 14.706 -14.070 1.00 0.00 H new ATOM 492 N GLY A 55 6.017 15.597 -11.971 1.00 0.00 N ATOM 493 CA GLY A 55 5.124 16.752 -12.078 1.00 0.00 C ATOM 494 C GLY A 55 4.566 16.886 -13.498 1.00 0.00 C ATOM 495 O GLY A 55 4.080 17.946 -13.890 1.00 0.00 O ATOM 0 H GLY A 55 5.546 14.706 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.303 16.648 -11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.664 17.660 -11.809 1.00 0.00 H new ATOM 499 N SER A 56 4.642 15.796 -14.267 1.00 0.00 N ATOM 500 CA SER A 56 4.148 15.794 -15.639 1.00 0.00 C ATOM 501 C SER A 56 3.809 14.356 -16.049 1.00 0.00 C ATOM 502 O SER A 56 3.541 13.513 -15.192 1.00 0.00 O ATOM 503 CB SER A 56 5.209 16.380 -16.578 1.00 0.00 C ATOM 504 OG SER A 56 4.569 16.966 -17.703 1.00 0.00 O ATOM 0 H SER A 56 5.040 14.908 -13.960 1.00 0.00 H new ATOM 0 HA SER A 56 3.250 16.409 -15.707 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.803 17.128 -16.053 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.896 15.598 -16.902 1.00 0.00 H new ATOM 0 HG SER A 56 5.245 17.343 -18.304 1.00 0.00 H new ATOM 510 N CYS A 57 3.827 14.067 -17.353 1.00 0.00 N ATOM 511 CA CYS A 57 3.526 12.713 -17.819 1.00 0.00 C ATOM 512 C CYS A 57 4.765 12.095 -18.485 1.00 0.00 C ATOM 513 O CYS A 57 4.873 12.084 -19.712 1.00 0.00 O ATOM 514 CB CYS A 57 2.371 12.719 -18.831 1.00 0.00 C ATOM 515 SG CYS A 57 0.989 13.724 -18.221 1.00 0.00 S ATOM 0 H CYS A 57 4.042 14.738 -18.091 1.00 0.00 H new ATOM 0 HA CYS A 57 3.234 12.122 -16.951 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.720 13.112 -19.786 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.033 11.698 -19.011 1.00 0.00 H new ATOM 520 N PRO A 58 5.721 11.576 -17.692 1.00 0.00 N ATOM 521 CA PRO A 58 6.945 10.966 -18.247 1.00 0.00 C ATOM 522 C PRO A 58 6.734 9.518 -18.686 1.00 0.00 C ATOM 523 O PRO A 58 5.604 9.048 -18.806 1.00 0.00 O ATOM 524 CB PRO A 58 7.904 11.031 -17.064 1.00 0.00 C ATOM 525 CG PRO A 58 7.054 11.092 -15.801 1.00 0.00 C ATOM 526 CD PRO A 58 5.654 11.560 -16.212 1.00 0.00 C ATOM 0 HA PRO A 58 7.296 11.476 -19.144 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.556 10.157 -17.048 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.548 11.907 -17.138 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.006 10.114 -15.323 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.491 11.780 -15.077 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.881 10.881 -15.852 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.425 12.547 -15.809 1.00 0.00 H new ATOM 534 N ALA A 59 7.842 8.819 -18.920 1.00 0.00 N ATOM 535 CA ALA A 59 7.780 7.423 -19.341 1.00 0.00 C ATOM 536 C ALA A 59 8.838 6.606 -18.604 1.00 0.00 C ATOM 537 O ALA A 59 10.029 6.700 -18.898 1.00 0.00 O ATOM 538 CB ALA A 59 8.018 7.305 -20.847 1.00 0.00 C ATOM 0 H ALA A 59 8.786 9.193 -18.826 1.00 0.00 H new ATOM 0 HA ALA A 59 6.788 7.040 -19.103 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.968 6.257 -21.142 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.254 7.869 -21.381 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.002 7.704 -21.092 1.00 0.00 H new ATOM 544 N ASN A 60 8.389 5.810 -17.637 1.00 0.00 N ATOM 545 CA ASN A 60 9.305 4.981 -16.856 1.00 0.00 C ATOM 546 C ASN A 60 9.854 3.833 -17.705 1.00 0.00 C ATOM 547 O ASN A 60 9.587 2.659 -17.446 1.00 0.00 O ATOM 548 CB ASN A 60 8.591 4.408 -15.627 1.00 0.00 C ATOM 549 CG ASN A 60 8.623 5.430 -14.496 1.00 0.00 C ATOM 550 OD1 ASN A 60 9.535 6.254 -14.422 1.00 0.00 O ATOM 551 ND2 ASN A 60 7.674 5.426 -13.601 1.00 0.00 N ATOM 0 H ASN A 60 7.407 5.721 -17.377 1.00 0.00 H new ATOM 0 HA ASN A 60 10.134 5.610 -16.531 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.560 4.158 -15.876 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.075 3.484 -15.310 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.688 6.105 -12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.918 4.744 -13.662 1.00 0.00 H new ATOM 558 N THR A 61 10.640 4.189 -18.718 1.00 0.00 N ATOM 559 CA THR A 61 11.239 3.188 -19.595 1.00 0.00 C ATOM 560 C THR A 61 12.632 2.833 -19.089 1.00 0.00 C ATOM 561 O THR A 61 13.071 1.686 -19.172 1.00 0.00 O ATOM 562 CB THR A 61 11.344 3.717 -21.027 1.00 0.00 C ATOM 563 OG1 THR A 61 12.237 4.821 -21.057 1.00 0.00 O ATOM 564 CG2 THR A 61 9.963 4.160 -21.511 1.00 0.00 C ATOM 0 H THR A 61 10.875 5.154 -18.950 1.00 0.00 H new ATOM 0 HA THR A 61 10.604 2.302 -19.592 1.00 0.00 H new ATOM 0 HB THR A 61 11.719 2.929 -21.680 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.307 5.160 -21.974 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.039 4.537 -22.531 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.280 3.311 -21.487 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.585 4.948 -20.860 1.00 0.00 H new ATOM 572 N ALA A 62 13.315 3.839 -18.551 1.00 0.00 N ATOM 573 CA ALA A 62 14.656 3.647 -18.011 1.00 0.00 C ATOM 574 C ALA A 62 14.793 4.394 -16.687 1.00 0.00 C ATOM 575 O ALA A 62 15.866 4.892 -16.343 1.00 0.00 O ATOM 576 CB ALA A 62 15.710 4.168 -18.992 1.00 0.00 C ATOM 0 H ALA A 62 12.963 4.793 -18.478 1.00 0.00 H new ATOM 0 HA ALA A 62 14.813 2.580 -17.852 1.00 0.00 H new ATOM 0 HB1 ALA A 62 16.704 4.016 -18.572 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.628 3.628 -19.935 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.549 5.232 -19.168 1.00 0.00 H new ATOM 582 N ALA A 63 13.685 4.469 -15.953 1.00 0.00 N ATOM 583 CA ALA A 63 13.671 5.159 -14.668 1.00 0.00 C ATOM 584 C ALA A 63 14.330 4.296 -13.591 1.00 0.00 C ATOM 585 O ALA A 63 15.035 3.336 -13.899 1.00 0.00 O ATOM 586 CB ALA A 63 12.228 5.477 -14.260 1.00 0.00 C ATOM 0 H ALA A 63 12.790 4.062 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 63 14.232 6.088 -14.768 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.227 5.992 -13.299 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.769 6.115 -15.015 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.661 4.550 -14.175 1.00 0.00 H new ATOM 592 N THR A 64 14.099 4.656 -12.326 1.00 0.00 N ATOM 593 CA THR A 64 14.674 3.916 -11.197 1.00 0.00 C ATOM 594 C THR A 64 16.195 3.826 -11.322 1.00 0.00 C ATOM 595 O THR A 64 16.816 2.876 -10.844 1.00 0.00 O ATOM 596 CB THR A 64 14.095 2.497 -11.103 1.00 0.00 C ATOM 597 OG1 THR A 64 14.662 1.681 -12.117 1.00 0.00 O ATOM 598 CG2 THR A 64 12.572 2.538 -11.270 1.00 0.00 C ATOM 0 H THR A 64 13.520 5.452 -12.057 1.00 0.00 H new ATOM 0 HA THR A 64 14.415 4.465 -10.291 1.00 0.00 H new ATOM 0 HB THR A 64 14.335 2.081 -10.125 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.065 2.249 -12.807 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.171 1.527 -11.202 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.136 3.155 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.324 2.962 -12.243 1.00 0.00 H new ATOM 606 N ALA A 65 16.786 4.831 -11.964 1.00 0.00 N ATOM 607 CA ALA A 65 18.236 4.863 -12.140 1.00 0.00 C ATOM 608 C ALA A 65 18.847 5.917 -11.223 1.00 0.00 C ATOM 609 O ALA A 65 19.950 5.748 -10.703 1.00 0.00 O ATOM 610 CB ALA A 65 18.594 5.192 -13.591 1.00 0.00 C ATOM 0 H ALA A 65 16.290 5.626 -12.367 1.00 0.00 H new ATOM 0 HA ALA A 65 18.634 3.880 -11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.678 5.211 -13.703 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.175 4.432 -14.250 1.00 0.00 H new ATOM 0 HB3 ALA A 65 18.185 6.167 -13.855 1.00 0.00 H new ATOM 616 N GLY A 66 18.107 7.004 -11.028 1.00 0.00 N ATOM 617 CA GLY A 66 18.568 8.089 -10.167 1.00 0.00 C ATOM 618 C GLY A 66 17.394 8.713 -9.417 1.00 0.00 C ATOM 619 O GLY A 66 17.406 9.901 -9.094 1.00 0.00 O ATOM 0 H GLY A 66 17.192 7.157 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.301 7.710 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.069 8.849 -10.767 1.00 0.00 H new ATOM 623 N ILE A 67 16.378 7.896 -9.144 1.00 0.00 N ATOM 624 CA ILE A 67 15.193 8.375 -8.430 1.00 0.00 C ATOM 625 C ILE A 67 14.601 7.241 -7.598 1.00 0.00 C ATOM 626 O ILE A 67 14.981 6.080 -7.748 1.00 0.00 O ATOM 627 CB ILE A 67 14.117 8.889 -9.403 1.00 0.00 C ATOM 628 CG1 ILE A 67 14.764 9.639 -10.575 1.00 0.00 C ATOM 629 CG2 ILE A 67 13.178 9.849 -8.666 1.00 0.00 C ATOM 630 CD1 ILE A 67 13.689 9.982 -11.605 1.00 0.00 C ATOM 0 H ILE A 67 16.349 6.910 -9.402 1.00 0.00 H new ATOM 0 HA ILE A 67 15.504 9.199 -7.787 1.00 0.00 H new ATOM 0 HB ILE A 67 13.561 8.033 -9.786 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.247 10.549 -10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.540 9.025 -11.032 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.416 10.213 -9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.699 9.326 -7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.750 10.692 -8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.143 10.515 -12.441 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.227 9.064 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.929 10.612 -11.142 1.00 0.00 H new ATOM 642 N GLU A 68 13.669 7.589 -6.715 1.00 0.00 N ATOM 643 CA GLU A 68 13.035 6.588 -5.859 1.00 0.00 C ATOM 644 C GLU A 68 11.522 6.566 -6.073 1.00 0.00 C ATOM 645 O GLU A 68 10.899 5.504 -6.075 1.00 0.00 O ATOM 646 CB GLU A 68 13.324 6.885 -4.388 1.00 0.00 C ATOM 647 CG GLU A 68 14.768 6.499 -4.062 1.00 0.00 C ATOM 648 CD GLU A 68 14.913 6.292 -2.559 1.00 0.00 C ATOM 649 OE1 GLU A 68 14.269 5.396 -2.038 1.00 0.00 O ATOM 650 OE2 GLU A 68 15.667 7.033 -1.949 1.00 0.00 O ATOM 0 H GLU A 68 13.338 8.544 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 68 13.448 5.615 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.164 7.943 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.635 6.329 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.040 5.587 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.449 7.280 -4.399 1.00 0.00 H new ATOM 657 N LYS A 69 10.936 7.747 -6.245 1.00 0.00 N ATOM 658 CA LYS A 69 9.492 7.848 -6.450 1.00 0.00 C ATOM 659 C LYS A 69 9.113 7.428 -7.868 1.00 0.00 C ATOM 660 O LYS A 69 8.019 6.917 -8.106 1.00 0.00 O ATOM 661 CB LYS A 69 9.015 9.282 -6.211 1.00 0.00 C ATOM 662 CG LYS A 69 9.385 9.714 -4.791 1.00 0.00 C ATOM 663 CD LYS A 69 8.226 9.395 -3.843 1.00 0.00 C ATOM 664 CE LYS A 69 8.778 9.079 -2.451 1.00 0.00 C ATOM 665 NZ LYS A 69 7.646 8.841 -1.512 1.00 0.00 N ATOM 0 H LYS A 69 11.431 8.639 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 69 9.010 7.179 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.472 9.954 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.936 9.346 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.288 9.197 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.603 10.782 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.541 10.241 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.656 8.546 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.421 8.200 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.392 9.906 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.019 8.626 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.050 9.692 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.077 8.039 -1.850 1.00 0.00 H new ATOM 679 N ASP A 70 10.026 7.657 -8.809 1.00 0.00 N ATOM 680 CA ASP A 70 9.771 7.300 -10.202 1.00 0.00 C ATOM 681 C ASP A 70 9.747 5.782 -10.370 1.00 0.00 C ATOM 682 O ASP A 70 10.686 5.181 -10.892 1.00 0.00 O ATOM 683 CB ASP A 70 10.849 7.895 -11.113 1.00 0.00 C ATOM 684 CG ASP A 70 10.255 8.190 -12.487 1.00 0.00 C ATOM 685 OD1 ASP A 70 9.092 8.555 -12.543 1.00 0.00 O ATOM 686 OD2 ASP A 70 10.973 8.048 -13.463 1.00 0.00 O ATOM 0 H ASP A 70 10.937 8.082 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 70 8.799 7.706 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.246 8.810 -10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.683 7.200 -11.208 1.00 0.00 H new ATOM 691 N THR A 71 8.655 5.171 -9.917 1.00 0.00 N ATOM 692 CA THR A 71 8.505 3.721 -10.016 1.00 0.00 C ATOM 693 C THR A 71 7.034 3.334 -9.899 1.00 0.00 C ATOM 694 O THR A 71 6.403 3.544 -8.864 1.00 0.00 O ATOM 695 CB THR A 71 9.296 3.023 -8.908 1.00 0.00 C ATOM 696 OG1 THR A 71 10.412 3.823 -8.548 1.00 0.00 O ATOM 697 CG2 THR A 71 9.781 1.661 -9.406 1.00 0.00 C ATOM 0 H THR A 71 7.868 5.652 -9.482 1.00 0.00 H new ATOM 0 HA THR A 71 8.890 3.406 -10.986 1.00 0.00 H new ATOM 0 HB THR A 71 8.655 2.882 -8.038 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.242 4.252 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.344 1.164 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.923 1.047 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.422 1.799 -10.277 1.00 0.00 H new ATOM 705 N ASP A 72 6.494 2.770 -10.976 1.00 0.00 N ATOM 706 CA ASP A 72 5.092 2.362 -10.984 1.00 0.00 C ATOM 707 C ASP A 72 4.963 0.863 -10.721 1.00 0.00 C ATOM 708 O ASP A 72 4.210 0.438 -9.846 1.00 0.00 O ATOM 709 CB ASP A 72 4.449 2.697 -12.330 1.00 0.00 C ATOM 710 CG ASP A 72 4.640 4.181 -12.626 1.00 0.00 C ATOM 711 OD1 ASP A 72 4.573 4.963 -11.694 1.00 0.00 O ATOM 712 OD2 ASP A 72 4.851 4.513 -13.781 1.00 0.00 O ATOM 0 H ASP A 72 6.998 2.587 -11.844 1.00 0.00 H new ATOM 0 HA ASP A 72 4.579 2.907 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.899 2.096 -13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.387 2.453 -12.309 1.00 0.00 H new ATOM 717 N ILE A 73 5.709 0.065 -11.486 1.00 0.00 N ATOM 718 CA ILE A 73 5.669 -1.388 -11.319 1.00 0.00 C ATOM 719 C ILE A 73 6.109 -1.771 -9.908 1.00 0.00 C ATOM 720 O ILE A 73 7.302 -1.860 -9.615 1.00 0.00 O ATOM 721 CB ILE A 73 6.589 -2.076 -12.337 1.00 0.00 C ATOM 722 CG1 ILE A 73 6.235 -1.605 -13.756 1.00 0.00 C ATOM 723 CG2 ILE A 73 6.411 -3.596 -12.247 1.00 0.00 C ATOM 724 CD1 ILE A 73 7.253 -0.561 -14.226 1.00 0.00 C ATOM 0 H ILE A 73 6.340 0.394 -12.217 1.00 0.00 H new ATOM 0 HA ILE A 73 4.643 -1.718 -11.484 1.00 0.00 H new ATOM 0 HB ILE A 73 7.624 -1.817 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.229 -2.454 -14.440 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.232 -1.179 -13.768 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.065 -4.082 -12.971 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.667 -3.933 -11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.374 -3.854 -12.464 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.997 -0.231 -15.233 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.237 0.293 -13.549 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.250 -1.002 -14.231 1.00 0.00 H new ATOM 736 N ASN A 74 5.130 -1.997 -9.037 1.00 0.00 N ATOM 737 CA ASN A 74 5.422 -2.371 -7.657 1.00 0.00 C ATOM 738 C ASN A 74 5.371 -3.887 -7.494 1.00 0.00 C ATOM 739 O ASN A 74 6.284 -4.497 -6.936 1.00 0.00 O ATOM 740 CB ASN A 74 4.412 -1.731 -6.702 1.00 0.00 C ATOM 741 CG ASN A 74 4.854 -0.308 -6.374 1.00 0.00 C ATOM 742 OD1 ASN A 74 4.948 0.065 -5.205 1.00 0.00 O ATOM 743 ND2 ASN A 74 5.135 0.515 -7.347 1.00 0.00 N ATOM 0 H ASN A 74 4.137 -1.929 -9.259 1.00 0.00 H new ATOM 0 HA ASN A 74 6.423 -2.013 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.422 -1.720 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.336 -2.320 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.433 1.468 -7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.057 0.205 -8.316 1.00 0.00 H new ATOM 750 N GLY A 75 4.295 -4.489 -7.994 1.00 0.00 N ATOM 751 CA GLY A 75 4.135 -5.938 -7.904 1.00 0.00 C ATOM 752 C GLY A 75 5.252 -6.647 -8.659 1.00 0.00 C ATOM 753 O GLY A 75 5.734 -7.701 -8.243 1.00 0.00 O ATOM 0 H GLY A 75 3.529 -4.003 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.142 -6.246 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.168 -6.229 -8.315 1.00 0.00 H new ATOM 757 N LYS A 76 5.661 -6.049 -9.781 1.00 0.00 N ATOM 758 CA LYS A 76 6.732 -6.605 -10.624 1.00 0.00 C ATOM 759 C LYS A 76 6.208 -7.762 -11.470 1.00 0.00 C ATOM 760 O LYS A 76 6.272 -7.727 -12.699 1.00 0.00 O ATOM 761 CB LYS A 76 7.920 -7.096 -9.783 1.00 0.00 C ATOM 762 CG LYS A 76 9.211 -6.942 -10.589 1.00 0.00 C ATOM 763 CD LYS A 76 10.365 -6.594 -9.647 1.00 0.00 C ATOM 764 CE LYS A 76 11.351 -5.673 -10.366 1.00 0.00 C ATOM 765 NZ LYS A 76 11.960 -4.732 -9.383 1.00 0.00 N ATOM 0 H LYS A 76 5.267 -5.176 -10.131 1.00 0.00 H new ATOM 0 HA LYS A 76 7.074 -5.800 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.986 -6.524 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.775 -8.139 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.430 -7.866 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.092 -6.160 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.982 -6.106 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.871 -7.504 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.129 -6.263 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.839 -5.115 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.631 -4.105 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.212 -4.161 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.462 -5.273 -8.650 1.00 0.00 H new ATOM 779 N TYR A 77 5.697 -8.789 -10.802 1.00 0.00 N ATOM 780 CA TYR A 77 5.171 -9.955 -11.506 1.00 0.00 C ATOM 781 C TYR A 77 3.665 -9.845 -11.683 1.00 0.00 C ATOM 782 O TYR A 77 3.141 -10.057 -12.775 1.00 0.00 O ATOM 783 CB TYR A 77 5.491 -11.238 -10.738 1.00 0.00 C ATOM 784 CG TYR A 77 6.945 -11.593 -10.932 1.00 0.00 C ATOM 785 CD1 TYR A 77 7.920 -11.042 -10.091 1.00 0.00 C ATOM 786 CD2 TYR A 77 7.321 -12.474 -11.953 1.00 0.00 C ATOM 787 CE1 TYR A 77 9.268 -11.370 -10.272 1.00 0.00 C ATOM 788 CE2 TYR A 77 8.670 -12.802 -12.134 1.00 0.00 C ATOM 789 CZ TYR A 77 9.643 -12.252 -11.293 1.00 0.00 C ATOM 790 OH TYR A 77 10.973 -12.576 -11.471 1.00 0.00 O ATOM 0 H TYR A 77 5.635 -8.840 -9.785 1.00 0.00 H new ATOM 0 HA TYR A 77 5.646 -9.991 -12.486 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.277 -11.102 -9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.857 -12.052 -11.089 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.631 -10.363 -9.302 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.570 -12.901 -12.601 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.019 -10.943 -9.624 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.959 -13.480 -12.923 1.00 0.00 H new ATOM 0 HH TYR A 77 11.060 -13.200 -12.221 1.00 0.00 H new ATOM 800 N VAL A 78 2.974 -9.502 -10.601 1.00 0.00 N ATOM 801 CA VAL A 78 1.524 -9.362 -10.655 1.00 0.00 C ATOM 802 C VAL A 78 1.123 -7.907 -10.931 1.00 0.00 C ATOM 803 O VAL A 78 -0.016 -7.507 -10.690 1.00 0.00 O ATOM 804 CB VAL A 78 0.902 -9.840 -9.333 1.00 0.00 C ATOM 805 CG1 VAL A 78 1.324 -8.920 -8.180 1.00 0.00 C ATOM 806 CG2 VAL A 78 -0.625 -9.846 -9.450 1.00 0.00 C ATOM 0 H VAL A 78 3.388 -9.318 -9.687 1.00 0.00 H new ATOM 0 HA VAL A 78 1.150 -9.979 -11.472 1.00 0.00 H new ATOM 0 HB VAL A 78 1.256 -10.850 -9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.875 -9.272 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.410 -8.930 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.987 -7.904 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.061 -10.186 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.977 -8.838 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.926 -10.519 -10.253 1.00 0.00 H new ATOM 816 N ALA A 79 2.065 -7.117 -11.448 1.00 0.00 N ATOM 817 CA ALA A 79 1.775 -5.725 -11.751 1.00 0.00 C ATOM 818 C ALA A 79 2.801 -5.153 -12.725 1.00 0.00 C ATOM 819 O ALA A 79 4.002 -5.397 -12.604 1.00 0.00 O ATOM 820 CB ALA A 79 1.777 -4.884 -10.473 1.00 0.00 C ATOM 0 H ALA A 79 3.017 -7.415 -11.661 1.00 0.00 H new ATOM 0 HA ALA A 79 0.787 -5.688 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.558 -3.845 -10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.018 -5.261 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.757 -4.945 -9.999 1.00 0.00 H new ATOM 826 N LYS A 80 2.311 -4.375 -13.684 1.00 0.00 N ATOM 827 CA LYS A 80 3.180 -3.749 -14.676 1.00 0.00 C ATOM 828 C LYS A 80 2.586 -2.404 -15.092 1.00 0.00 C ATOM 829 O LYS A 80 1.936 -2.290 -16.132 1.00 0.00 O ATOM 830 CB LYS A 80 3.332 -4.651 -15.910 1.00 0.00 C ATOM 831 CG LYS A 80 4.688 -5.360 -15.869 1.00 0.00 C ATOM 832 CD LYS A 80 4.739 -6.430 -16.964 1.00 0.00 C ATOM 833 CE LYS A 80 6.188 -6.641 -17.404 1.00 0.00 C ATOM 834 NZ LYS A 80 6.881 -7.529 -16.427 1.00 0.00 N ATOM 0 H LYS A 80 1.320 -4.163 -13.796 1.00 0.00 H new ATOM 0 HA LYS A 80 4.165 -3.598 -14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.527 -5.386 -15.936 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.250 -4.056 -16.819 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.492 -4.638 -16.013 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.842 -5.817 -14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.321 -7.366 -16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.130 -6.124 -17.815 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.216 -7.086 -18.399 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.703 -5.682 -17.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.867 -7.672 -16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.866 -7.088 -15.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.394 -8.447 -16.387 1.00 0.00 H new ATOM 848 N VAL A 81 2.798 -1.393 -14.252 1.00 0.00 N ATOM 849 CA VAL A 81 2.260 -0.059 -14.523 1.00 0.00 C ATOM 850 C VAL A 81 3.351 0.890 -15.015 1.00 0.00 C ATOM 851 O VAL A 81 4.541 0.669 -14.789 1.00 0.00 O ATOM 852 CB VAL A 81 1.631 0.530 -13.255 1.00 0.00 C ATOM 853 CG1 VAL A 81 0.866 1.807 -13.610 1.00 0.00 C ATOM 854 CG2 VAL A 81 0.667 -0.485 -12.632 1.00 0.00 C ATOM 0 H VAL A 81 3.332 -1.469 -13.387 1.00 0.00 H new ATOM 0 HA VAL A 81 1.503 -0.165 -15.300 1.00 0.00 H new ATOM 0 HB VAL A 81 2.419 0.763 -12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.419 2.226 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.552 2.533 -14.046 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.081 1.573 -14.329 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.224 -0.060 -11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.121 -0.724 -13.346 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.212 -1.393 -12.374 1.00 0.00 H new ATOM 864 N THR A 82 2.922 1.954 -15.687 1.00 0.00 N ATOM 865 CA THR A 82 3.852 2.951 -16.211 1.00 0.00 C ATOM 866 C THR A 82 3.130 4.277 -16.412 1.00 0.00 C ATOM 867 O THR A 82 1.905 4.322 -16.525 1.00 0.00 O ATOM 868 CB THR A 82 4.438 2.488 -17.547 1.00 0.00 C ATOM 869 OG1 THR A 82 4.971 1.179 -17.399 1.00 0.00 O ATOM 870 CG2 THR A 82 5.547 3.445 -17.982 1.00 0.00 C ATOM 0 H THR A 82 1.940 2.148 -15.882 1.00 0.00 H new ATOM 0 HA THR A 82 4.662 3.078 -15.492 1.00 0.00 H new ATOM 0 HB THR A 82 3.653 2.480 -18.304 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.208 1.027 -16.460 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.962 3.112 -18.933 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.138 4.449 -18.096 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.334 3.457 -17.228 1.00 0.00 H new ATOM 878 N THR A 83 3.900 5.359 -16.448 1.00 0.00 N ATOM 879 CA THR A 83 3.321 6.684 -16.624 1.00 0.00 C ATOM 880 C THR A 83 3.213 7.032 -18.103 1.00 0.00 C ATOM 881 O THR A 83 3.907 6.464 -18.945 1.00 0.00 O ATOM 882 CB THR A 83 4.185 7.737 -15.923 1.00 0.00 C ATOM 883 OG1 THR A 83 3.656 9.030 -16.181 1.00 0.00 O ATOM 884 CG2 THR A 83 5.622 7.654 -16.443 1.00 0.00 C ATOM 0 H THR A 83 4.916 5.345 -16.359 1.00 0.00 H new ATOM 0 HA THR A 83 2.324 6.677 -16.184 1.00 0.00 H new ATOM 0 HB THR A 83 4.182 7.552 -14.849 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.805 9.136 -15.707 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.234 8.404 -15.942 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.026 6.662 -16.240 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.631 7.836 -17.518 1.00 0.00 H new ATOM 892 N GLY A 84 2.327 7.973 -18.402 1.00 0.00 N ATOM 893 CA GLY A 84 2.120 8.401 -19.781 1.00 0.00 C ATOM 894 C GLY A 84 1.067 9.500 -19.859 1.00 0.00 C ATOM 895 O GLY A 84 0.189 9.602 -19.002 1.00 0.00 O ATOM 0 H GLY A 84 1.744 8.452 -17.715 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.060 8.762 -20.198 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.808 7.550 -20.387 1.00 0.00 H new ATOM 899 N GLY A 85 1.160 10.319 -20.905 1.00 0.00 N ATOM 900 CA GLY A 85 0.205 11.408 -21.092 1.00 0.00 C ATOM 901 C GLY A 85 0.911 12.692 -21.515 1.00 0.00 C ATOM 902 O GLY A 85 2.032 12.668 -22.021 1.00 0.00 O ATOM 0 H GLY A 85 1.877 10.251 -21.627 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.528 11.127 -21.848 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.342 11.579 -20.165 1.00 0.00 H new ATOM 906 N THR A 86 0.233 13.816 -21.296 1.00 0.00 N ATOM 907 CA THR A 86 0.782 15.119 -21.649 1.00 0.00 C ATOM 908 C THR A 86 0.235 16.176 -20.697 1.00 0.00 C ATOM 909 O THR A 86 -0.828 16.753 -20.929 1.00 0.00 O ATOM 910 CB THR A 86 0.405 15.489 -23.084 1.00 0.00 C ATOM 911 OG1 THR A 86 0.780 14.434 -23.958 1.00 0.00 O ATOM 912 CG2 THR A 86 1.130 16.771 -23.489 1.00 0.00 C ATOM 0 H THR A 86 -0.696 13.849 -20.876 1.00 0.00 H new ATOM 0 HA THR A 86 1.868 15.073 -21.570 1.00 0.00 H new ATOM 0 HB THR A 86 -0.671 15.648 -23.147 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.537 14.669 -24.878 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.861 17.034 -24.512 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.841 17.580 -22.818 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.207 16.615 -23.426 1.00 0.00 H new ATOM 920 N ALA A 87 0.969 16.412 -19.616 1.00 0.00 N ATOM 921 CA ALA A 87 0.546 17.391 -18.619 1.00 0.00 C ATOM 922 C ALA A 87 1.649 18.416 -18.368 1.00 0.00 C ATOM 923 O ALA A 87 2.642 18.474 -19.094 1.00 0.00 O ATOM 924 CB ALA A 87 0.198 16.692 -17.303 1.00 0.00 C ATOM 0 H ALA A 87 1.851 15.945 -19.407 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.336 17.903 -19.003 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.116 17.434 -16.569 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.612 15.983 -17.471 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.074 16.161 -16.930 1.00 0.00 H new ATOM 930 N ALA A 88 1.457 19.230 -17.329 1.00 0.00 N ATOM 931 CA ALA A 88 2.425 20.268 -16.967 1.00 0.00 C ATOM 932 C ALA A 88 1.800 21.189 -15.929 1.00 0.00 C ATOM 933 O ALA A 88 1.307 22.272 -16.249 1.00 0.00 O ATOM 934 CB ALA A 88 2.837 21.103 -18.188 1.00 0.00 C ATOM 0 H ALA A 88 0.638 19.191 -16.722 1.00 0.00 H new ATOM 0 HA ALA A 88 3.314 19.780 -16.568 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.556 21.863 -17.883 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.291 20.454 -18.936 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.957 21.585 -18.613 1.00 0.00 H new ATOM 940 N ALA A 89 1.804 20.736 -14.680 1.00 0.00 N ATOM 941 CA ALA A 89 1.213 21.512 -13.594 1.00 0.00 C ATOM 942 C ALA A 89 -0.287 21.687 -13.835 1.00 0.00 C ATOM 943 O ALA A 89 -0.885 22.679 -13.416 1.00 0.00 O ATOM 944 CB ALA A 89 1.873 22.891 -13.483 1.00 0.00 C ATOM 0 H ALA A 89 2.206 19.843 -14.395 1.00 0.00 H new ATOM 0 HA ALA A 89 1.376 20.970 -12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.415 23.449 -12.667 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.938 22.770 -13.287 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.736 23.436 -14.417 1.00 0.00 H new ATOM 950 N SER A 90 -0.888 20.708 -14.512 1.00 0.00 N ATOM 951 CA SER A 90 -2.320 20.761 -14.800 1.00 0.00 C ATOM 952 C SER A 90 -2.978 19.383 -14.638 1.00 0.00 C ATOM 953 O SER A 90 -4.125 19.189 -15.042 1.00 0.00 O ATOM 954 CB SER A 90 -2.555 21.254 -16.228 1.00 0.00 C ATOM 955 OG SER A 90 -3.922 21.612 -16.381 1.00 0.00 O ATOM 0 H SER A 90 -0.412 19.879 -14.867 1.00 0.00 H new ATOM 0 HA SER A 90 -2.769 21.452 -14.086 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.916 22.112 -16.439 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.289 20.475 -16.943 1.00 0.00 H new ATOM 0 HG SER A 90 -4.488 20.926 -15.969 1.00 0.00 H new ATOM 961 N GLY A 91 -2.252 18.429 -14.034 1.00 0.00 N ATOM 962 CA GLY A 91 -2.781 17.074 -13.813 1.00 0.00 C ATOM 963 C GLY A 91 -3.502 16.529 -15.047 1.00 0.00 C ATOM 964 O GLY A 91 -4.696 16.763 -15.237 1.00 0.00 O ATOM 0 H GLY A 91 -1.302 18.570 -13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.963 16.405 -13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.469 17.087 -12.968 1.00 0.00 H new ATOM 968 N GLY A 92 -2.768 15.801 -15.882 1.00 0.00 N ATOM 969 CA GLY A 92 -3.357 15.232 -17.089 1.00 0.00 C ATOM 970 C GLY A 92 -2.513 14.085 -17.624 1.00 0.00 C ATOM 971 O GLY A 92 -2.113 14.082 -18.788 1.00 0.00 O ATOM 0 H GLY A 92 -1.778 15.593 -15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.364 14.876 -16.872 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.449 16.006 -17.851 1.00 0.00 H new ATOM 975 N CYS A 93 -2.246 13.107 -16.766 1.00 0.00 N ATOM 976 CA CYS A 93 -1.446 11.955 -17.176 1.00 0.00 C ATOM 977 C CYS A 93 -2.282 10.684 -17.158 1.00 0.00 C ATOM 978 O CYS A 93 -2.872 10.325 -16.140 1.00 0.00 O ATOM 979 CB CYS A 93 -0.241 11.762 -16.250 1.00 0.00 C ATOM 980 SG CYS A 93 0.807 13.240 -16.268 1.00 0.00 S ATOM 0 H CYS A 93 -2.565 13.086 -15.797 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.095 12.150 -18.189 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.582 11.562 -15.234 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.336 10.894 -16.569 1.00 0.00 H new ATOM 985 N THR A 94 -2.308 10.002 -18.300 1.00 0.00 N ATOM 986 CA THR A 94 -3.054 8.756 -18.417 1.00 0.00 C ATOM 987 C THR A 94 -2.116 7.581 -18.171 1.00 0.00 C ATOM 988 O THR A 94 -1.416 7.126 -19.076 1.00 0.00 O ATOM 989 CB THR A 94 -3.673 8.625 -19.811 1.00 0.00 C ATOM 990 OG1 THR A 94 -2.693 8.927 -20.793 1.00 0.00 O ATOM 991 CG2 THR A 94 -4.848 9.595 -19.943 1.00 0.00 C ATOM 0 H THR A 94 -1.824 10.290 -19.151 1.00 0.00 H new ATOM 0 HA THR A 94 -3.854 8.758 -17.677 1.00 0.00 H new ATOM 0 HB THR A 94 -4.030 7.605 -19.956 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.855 8.472 -20.569 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.288 9.501 -20.936 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.600 9.361 -19.189 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.495 10.616 -19.798 1.00 0.00 H new ATOM 999 N ILE A 95 -2.103 7.106 -16.933 1.00 0.00 N ATOM 1000 CA ILE A 95 -1.239 5.990 -16.562 1.00 0.00 C ATOM 1001 C ILE A 95 -1.940 4.669 -16.864 1.00 0.00 C ATOM 1002 O ILE A 95 -3.136 4.511 -16.620 1.00 0.00 O ATOM 1003 CB ILE A 95 -0.873 6.079 -15.069 1.00 0.00 C ATOM 1004 CG1 ILE A 95 -0.086 7.372 -14.824 1.00 0.00 C ATOM 1005 CG2 ILE A 95 -0.002 4.885 -14.641 1.00 0.00 C ATOM 1006 CD1 ILE A 95 -1.043 8.562 -14.736 1.00 0.00 C ATOM 0 H ILE A 95 -2.676 7.472 -16.172 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.320 6.039 -17.146 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.794 6.069 -14.487 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.488 7.288 -13.901 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.629 7.530 -15.631 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.242 4.973 -13.582 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.548 3.957 -14.812 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.918 4.878 -15.226 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.473 9.475 -14.562 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.597 8.653 -15.670 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.741 8.407 -13.913 1.00 0.00 H new ATOM 1018 N VAL A 96 -1.173 3.725 -17.399 1.00 0.00 N ATOM 1019 CA VAL A 96 -1.719 2.415 -17.738 1.00 0.00 C ATOM 1020 C VAL A 96 -1.119 1.339 -16.834 1.00 0.00 C ATOM 1021 O VAL A 96 0.070 1.027 -16.914 1.00 0.00 O ATOM 1022 CB VAL A 96 -1.449 2.080 -19.216 1.00 0.00 C ATOM 1023 CG1 VAL A 96 0.058 1.981 -19.480 1.00 0.00 C ATOM 1024 CG2 VAL A 96 -2.113 0.745 -19.571 1.00 0.00 C ATOM 0 H VAL A 96 -0.181 3.840 -17.606 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.797 2.442 -17.582 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.864 2.877 -19.833 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.229 1.744 -20.530 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.532 2.933 -19.241 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.486 1.196 -18.856 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.921 0.510 -20.618 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.703 -0.044 -18.941 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.188 0.819 -19.407 1.00 0.00 H new ATOM 1034 N ALA A 97 -1.961 0.771 -15.978 1.00 0.00 N ATOM 1035 CA ALA A 97 -1.516 -0.277 -15.068 1.00 0.00 C ATOM 1036 C ALA A 97 -1.796 -1.641 -15.682 1.00 0.00 C ATOM 1037 O ALA A 97 -2.798 -1.828 -16.369 1.00 0.00 O ATOM 1038 CB ALA A 97 -2.243 -0.172 -13.726 1.00 0.00 C ATOM 0 H ALA A 97 -2.948 1.016 -15.895 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.446 -0.156 -14.901 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.896 -0.963 -13.061 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.035 0.798 -13.274 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.316 -0.276 -13.885 1.00 0.00 H new ATOM 1044 N THR A 98 -0.899 -2.592 -15.440 1.00 0.00 N ATOM 1045 CA THR A 98 -1.068 -3.933 -15.988 1.00 0.00 C ATOM 1046 C THR A 98 -0.976 -4.984 -14.888 1.00 0.00 C ATOM 1047 O THR A 98 -0.340 -4.772 -13.858 1.00 0.00 O ATOM 1048 CB THR A 98 0.002 -4.218 -17.044 1.00 0.00 C ATOM 1049 OG1 THR A 98 0.131 -3.094 -17.902 1.00 0.00 O ATOM 1050 CG2 THR A 98 -0.398 -5.446 -17.863 1.00 0.00 C ATOM 0 H THR A 98 -0.059 -2.462 -14.876 1.00 0.00 H new ATOM 0 HA THR A 98 -2.055 -3.982 -16.447 1.00 0.00 H new ATOM 0 HB THR A 98 0.955 -4.410 -16.551 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.811 -2.486 -17.544 1.00 0.00 H new ATOM 0 HG21 THR A 98 0.366 -5.647 -18.614 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.493 -6.308 -17.203 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.352 -5.259 -18.356 1.00 0.00 H new ATOM 1058 N MET A 99 -1.623 -6.120 -15.127 1.00 0.00 N ATOM 1059 CA MET A 99 -1.626 -7.223 -14.165 1.00 0.00 C ATOM 1060 C MET A 99 -1.376 -8.534 -14.897 1.00 0.00 C ATOM 1061 O MET A 99 -2.202 -8.975 -15.697 1.00 0.00 O ATOM 1062 CB MET A 99 -2.981 -7.309 -13.465 1.00 0.00 C ATOM 1063 CG MET A 99 -3.291 -5.982 -12.775 1.00 0.00 C ATOM 1064 SD MET A 99 -2.404 -5.896 -11.199 1.00 0.00 S ATOM 1065 CE MET A 99 -2.709 -4.144 -10.865 1.00 0.00 C ATOM 0 H MET A 99 -2.153 -6.304 -15.979 1.00 0.00 H new ATOM 0 HA MET A 99 -0.844 -7.045 -13.427 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.761 -7.544 -14.189 1.00 0.00 H new ATOM 0 HB3 MET A 99 -2.972 -8.117 -12.733 1.00 0.00 H new ATOM 0 HG2 MET A 99 -2.997 -5.150 -13.415 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.364 -5.890 -12.606 1.00 0.00 H new ATOM 0 HE1 MET A 99 -2.241 -3.867 -9.920 1.00 0.00 H new ATOM 0 HE2 MET A 99 -2.287 -3.541 -11.669 1.00 0.00 H new ATOM 0 HE3 MET A 99 -3.783 -3.967 -10.804 1.00 0.00 H new ATOM 1075 N LYS A 100 -0.227 -9.149 -14.639 1.00 0.00 N ATOM 1076 CA LYS A 100 0.107 -10.402 -15.313 1.00 0.00 C ATOM 1077 C LYS A 100 0.469 -11.495 -14.315 1.00 0.00 C ATOM 1078 O LYS A 100 1.038 -11.233 -13.261 1.00 0.00 O ATOM 1079 CB LYS A 100 1.279 -10.178 -16.262 1.00 0.00 C ATOM 1080 CG LYS A 100 0.903 -9.102 -17.290 1.00 0.00 C ATOM 1081 CD LYS A 100 0.592 -9.764 -18.633 1.00 0.00 C ATOM 1082 CE LYS A 100 1.855 -9.794 -19.494 1.00 0.00 C ATOM 1083 NZ LYS A 100 1.476 -9.885 -20.932 1.00 0.00 N ATOM 0 H LYS A 100 0.477 -8.811 -13.983 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.772 -10.726 -15.871 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.161 -9.869 -15.702 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.534 -11.109 -16.769 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.038 -8.538 -16.942 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.722 -8.391 -17.404 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.224 -10.778 -18.474 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.197 -9.215 -19.146 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.448 -8.896 -19.320 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.477 -10.645 -19.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.336 -9.905 -21.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.928 -10.754 -21.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.900 -9.059 -21.192 1.00 0.00 H new ATOM 1097 N ALA A 101 0.132 -12.736 -14.668 1.00 0.00 N ATOM 1098 CA ALA A 101 0.428 -13.883 -13.801 1.00 0.00 C ATOM 1099 C ALA A 101 -0.080 -13.642 -12.377 1.00 0.00 C ATOM 1100 O ALA A 101 0.545 -14.051 -11.399 1.00 0.00 O ATOM 1101 CB ALA A 101 1.936 -14.139 -13.755 1.00 0.00 C ATOM 0 H ALA A 101 -0.342 -12.974 -15.539 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.081 -14.752 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.141 -14.992 -13.108 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.300 -14.350 -14.760 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.443 -13.257 -13.363 1.00 0.00 H new ATOM 1107 N SER A 102 -1.220 -12.965 -12.278 1.00 0.00 N ATOM 1108 CA SER A 102 -1.802 -12.664 -10.972 1.00 0.00 C ATOM 1109 C SER A 102 -2.536 -13.907 -10.422 1.00 0.00 C ATOM 1110 O SER A 102 -2.064 -15.028 -10.601 1.00 0.00 O ATOM 1111 CB SER A 102 -2.756 -11.470 -11.107 1.00 0.00 C ATOM 1112 OG SER A 102 -3.964 -11.901 -11.721 1.00 0.00 O ATOM 0 H SER A 102 -1.754 -12.618 -13.074 1.00 0.00 H new ATOM 0 HA SER A 102 -1.014 -12.402 -10.266 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.965 -11.044 -10.126 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.292 -10.684 -11.703 1.00 0.00 H new ATOM 0 HG SER A 102 -4.576 -11.141 -11.807 1.00 0.00 H new ATOM 1118 N ASP A 103 -3.683 -13.718 -9.751 1.00 0.00 N ATOM 1119 CA ASP A 103 -4.419 -14.854 -9.202 1.00 0.00 C ATOM 1120 C ASP A 103 -5.888 -14.791 -9.610 1.00 0.00 C ATOM 1121 O ASP A 103 -6.474 -15.791 -10.026 1.00 0.00 O ATOM 1122 CB ASP A 103 -4.327 -14.865 -7.675 1.00 0.00 C ATOM 1123 CG ASP A 103 -2.862 -14.881 -7.254 1.00 0.00 C ATOM 1124 OD1 ASP A 103 -2.167 -13.927 -7.563 1.00 0.00 O ATOM 1125 OD2 ASP A 103 -2.456 -15.847 -6.628 1.00 0.00 O ATOM 0 H ASP A 103 -4.109 -12.807 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.972 -15.765 -9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.825 -13.987 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.841 -15.739 -7.275 1.00 0.00 H new ATOM 1130 N VAL A 104 -6.478 -13.602 -9.487 1.00 0.00 N ATOM 1131 CA VAL A 104 -7.885 -13.416 -9.847 1.00 0.00 C ATOM 1132 C VAL A 104 -8.124 -13.806 -11.303 1.00 0.00 C ATOM 1133 O VAL A 104 -7.494 -13.271 -12.216 1.00 0.00 O ATOM 1134 CB VAL A 104 -8.303 -11.957 -9.645 1.00 0.00 C ATOM 1135 CG1 VAL A 104 -8.217 -11.603 -8.160 1.00 0.00 C ATOM 1136 CG2 VAL A 104 -7.368 -11.041 -10.442 1.00 0.00 C ATOM 0 H VAL A 104 -6.011 -12.762 -9.145 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.482 -14.057 -9.199 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.327 -11.822 -9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.514 -10.564 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.882 -12.253 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.193 -11.739 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.666 -10.003 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.344 -11.176 -10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.428 -11.292 -11.501 1.00 0.00 H new ATOM 1146 N ALA A 105 -9.040 -14.750 -11.508 1.00 0.00 N ATOM 1147 CA ALA A 105 -9.357 -15.217 -12.857 1.00 0.00 C ATOM 1148 C ALA A 105 -8.119 -15.825 -13.511 1.00 0.00 C ATOM 1149 O ALA A 105 -7.169 -15.120 -13.849 1.00 0.00 O ATOM 1150 CB ALA A 105 -9.864 -14.062 -13.723 1.00 0.00 C ATOM 0 H ALA A 105 -9.572 -15.204 -10.765 1.00 0.00 H new ATOM 0 HA ALA A 105 -10.137 -15.974 -12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -10.094 -14.431 -14.723 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -10.764 -13.640 -13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -9.096 -13.292 -13.788 1.00 0.00 H new ATOM 1156 N THR A 106 -8.140 -17.142 -13.684 1.00 0.00 N ATOM 1157 CA THR A 106 -7.010 -17.839 -14.298 1.00 0.00 C ATOM 1158 C THR A 106 -6.764 -17.321 -15.723 1.00 0.00 C ATOM 1159 O THR A 106 -5.645 -16.930 -16.055 1.00 0.00 O ATOM 1160 CB THR A 106 -7.255 -19.363 -14.339 1.00 0.00 C ATOM 1161 OG1 THR A 106 -8.562 -19.654 -13.863 1.00 0.00 O ATOM 1162 CG2 THR A 106 -6.226 -20.081 -13.460 1.00 0.00 C ATOM 0 H THR A 106 -8.916 -17.745 -13.412 1.00 0.00 H new ATOM 0 HA THR A 106 -6.129 -17.641 -13.687 1.00 0.00 H new ATOM 0 HB THR A 106 -7.157 -19.708 -15.368 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.713 -20.622 -13.893 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.405 -21.156 -13.494 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.222 -19.869 -13.828 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.318 -19.730 -12.432 1.00 0.00 H new ATOM 1170 N PRO A 107 -7.796 -17.308 -16.587 1.00 0.00 N ATOM 1171 CA PRO A 107 -7.641 -16.830 -17.972 1.00 0.00 C ATOM 1172 C PRO A 107 -7.717 -15.307 -18.090 1.00 0.00 C ATOM 1173 O PRO A 107 -6.773 -14.657 -18.541 1.00 0.00 O ATOM 1174 CB PRO A 107 -8.824 -17.482 -18.677 1.00 0.00 C ATOM 1175 CG PRO A 107 -9.875 -17.774 -17.612 1.00 0.00 C ATOM 1176 CD PRO A 107 -9.167 -17.765 -16.253 1.00 0.00 C ATOM 0 HA PRO A 107 -6.667 -17.085 -18.390 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.227 -16.821 -19.445 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -8.516 -18.401 -19.177 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.666 -17.024 -17.638 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.346 -18.740 -17.793 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.656 -17.091 -15.549 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.161 -18.754 -15.796 1.00 0.00 H new ATOM 1184 N LEU A 108 -8.857 -14.748 -17.689 1.00 0.00 N ATOM 1185 CA LEU A 108 -9.058 -13.299 -17.763 1.00 0.00 C ATOM 1186 C LEU A 108 -7.969 -12.537 -17.004 1.00 0.00 C ATOM 1187 O LEU A 108 -7.693 -11.380 -17.310 1.00 0.00 O ATOM 1188 CB LEU A 108 -10.423 -12.918 -17.185 1.00 0.00 C ATOM 1189 CG LEU A 108 -11.604 -13.735 -17.713 1.00 0.00 C ATOM 1190 CD1 LEU A 108 -12.910 -13.170 -17.147 1.00 0.00 C ATOM 1191 CD2 LEU A 108 -11.638 -13.656 -19.241 1.00 0.00 C ATOM 0 H LEU A 108 -9.649 -15.269 -17.313 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.009 -13.023 -18.816 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.383 -13.025 -16.101 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.608 -11.864 -17.395 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.492 -14.774 -17.404 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.751 -13.752 -17.523 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.889 -13.225 -16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.021 -12.131 -17.456 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.479 -14.238 -19.617 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.749 -12.616 -19.549 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.709 -14.057 -19.647 1.00 0.00 H new ATOM 1203 N ARG A 109 -7.359 -13.195 -16.007 1.00 0.00 N ATOM 1204 CA ARG A 109 -6.295 -12.576 -15.194 1.00 0.00 C ATOM 1205 C ARG A 109 -6.656 -11.138 -14.786 1.00 0.00 C ATOM 1206 O ARG A 109 -7.802 -10.712 -14.927 1.00 0.00 O ATOM 1207 CB ARG A 109 -4.952 -12.598 -15.949 1.00 0.00 C ATOM 1208 CG ARG A 109 -5.007 -11.688 -17.181 1.00 0.00 C ATOM 1209 CD ARG A 109 -3.603 -11.544 -17.772 1.00 0.00 C ATOM 1210 NE ARG A 109 -3.219 -12.759 -18.494 1.00 0.00 N ATOM 1211 CZ ARG A 109 -3.798 -13.114 -19.650 1.00 0.00 C ATOM 1212 NH1 ARG A 109 -4.741 -12.381 -20.193 1.00 0.00 N ATOM 1213 NH2 ARG A 109 -3.417 -14.210 -20.247 1.00 0.00 N ATOM 0 H ARG A 109 -7.582 -14.155 -15.743 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.196 -13.165 -14.282 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.151 -12.272 -15.286 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.718 -13.618 -16.254 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -5.685 -12.106 -17.925 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.400 -10.709 -16.906 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.573 -10.689 -18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.886 -11.346 -16.975 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.488 -13.354 -18.105 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.047 -11.522 -19.735 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.168 -12.670 -21.073 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -2.685 -14.788 -19.834 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.851 -14.489 -21.127 1.00 0.00 H new ATOM 1227 N GLY A 110 -5.673 -10.401 -14.272 1.00 0.00 N ATOM 1228 CA GLY A 110 -5.915 -9.025 -13.848 1.00 0.00 C ATOM 1229 C GLY A 110 -6.159 -8.116 -15.050 1.00 0.00 C ATOM 1230 O GLY A 110 -7.134 -7.365 -15.082 1.00 0.00 O ATOM 0 H GLY A 110 -4.716 -10.728 -14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.777 -8.992 -13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.059 -8.660 -13.280 1.00 0.00 H new ATOM 1234 N LYS A 111 -5.255 -8.187 -16.038 1.00 0.00 N ATOM 1235 CA LYS A 111 -5.358 -7.370 -17.255 1.00 0.00 C ATOM 1236 C LYS A 111 -4.846 -5.960 -16.981 1.00 0.00 C ATOM 1237 O LYS A 111 -4.188 -5.712 -15.970 1.00 0.00 O ATOM 1238 CB LYS A 111 -6.800 -7.306 -17.795 1.00 0.00 C ATOM 1239 CG LYS A 111 -7.407 -8.712 -17.821 1.00 0.00 C ATOM 1240 CD LYS A 111 -8.262 -8.892 -19.088 1.00 0.00 C ATOM 1241 CE LYS A 111 -7.747 -10.080 -19.910 1.00 0.00 C ATOM 1242 NZ LYS A 111 -8.896 -10.948 -20.297 1.00 0.00 N ATOM 0 H LYS A 111 -4.443 -8.804 -16.017 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.743 -7.846 -18.018 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.404 -6.651 -17.168 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.804 -6.880 -18.798 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.614 -9.460 -17.798 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.020 -8.869 -16.933 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.304 -9.056 -18.812 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.230 -7.983 -19.689 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.230 -9.723 -20.801 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.024 -10.652 -19.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.545 -11.891 -20.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.551 -11.035 -19.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.394 -10.525 -21.106 1.00 0.00 H new ATOM 1256 N THR A 112 -5.131 -5.040 -17.898 1.00 0.00 N ATOM 1257 CA THR A 112 -4.666 -3.668 -17.743 1.00 0.00 C ATOM 1258 C THR A 112 -5.796 -2.738 -17.309 1.00 0.00 C ATOM 1259 O THR A 112 -6.961 -2.939 -17.650 1.00 0.00 O ATOM 1260 CB THR A 112 -4.073 -3.156 -19.056 1.00 0.00 C ATOM 1261 OG1 THR A 112 -4.828 -3.662 -20.146 1.00 0.00 O ATOM 1262 CG2 THR A 112 -2.622 -3.624 -19.178 1.00 0.00 C ATOM 0 H THR A 112 -5.673 -5.216 -18.744 1.00 0.00 H new ATOM 0 HA THR A 112 -3.901 -3.671 -16.967 1.00 0.00 H new ATOM 0 HB THR A 112 -4.105 -2.067 -19.068 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.293 -3.612 -20.966 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.199 -3.259 -20.114 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.042 -3.234 -18.342 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.589 -4.713 -19.165 1.00 0.00 H new ATOM 1270 N LEU A 113 -5.418 -1.708 -16.554 1.00 0.00 N ATOM 1271 CA LEU A 113 -6.377 -0.722 -16.065 1.00 0.00 C ATOM 1272 C LEU A 113 -5.745 0.667 -16.101 1.00 0.00 C ATOM 1273 O LEU A 113 -4.881 0.993 -15.287 1.00 0.00 O ATOM 1274 CB LEU A 113 -6.800 -1.050 -14.629 1.00 0.00 C ATOM 1275 CG LEU A 113 -8.265 -0.735 -14.293 1.00 0.00 C ATOM 1276 CD1 LEU A 113 -9.105 -2.009 -14.409 1.00 0.00 C ATOM 1277 CD2 LEU A 113 -8.361 -0.194 -12.863 1.00 0.00 C ATOM 0 H LEU A 113 -4.454 -1.535 -16.268 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.258 -0.745 -16.706 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.622 -2.110 -14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.159 -0.497 -13.943 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.639 0.013 -14.992 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.144 -1.783 -14.170 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.042 -2.395 -15.427 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.728 -2.758 -13.713 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.402 0.029 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.983 -0.941 -12.165 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.767 0.716 -12.778 1.00 0.00 H new ATOM 1289 N THR A 114 -6.173 1.472 -17.067 1.00 0.00 N ATOM 1290 CA THR A 114 -5.629 2.820 -17.220 1.00 0.00 C ATOM 1291 C THR A 114 -6.425 3.838 -16.408 1.00 0.00 C ATOM 1292 O THR A 114 -7.655 3.833 -16.402 1.00 0.00 O ATOM 1293 CB THR A 114 -5.651 3.239 -18.692 1.00 0.00 C ATOM 1294 OG1 THR A 114 -5.077 2.209 -19.484 1.00 0.00 O ATOM 1295 CG2 THR A 114 -4.851 4.530 -18.870 1.00 0.00 C ATOM 0 H THR A 114 -6.887 1.220 -17.750 1.00 0.00 H new ATOM 0 HA THR A 114 -4.603 2.799 -16.853 1.00 0.00 H new ATOM 0 HB THR A 114 -6.681 3.408 -19.007 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.092 2.475 -20.427 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.868 4.827 -19.919 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.294 5.319 -18.262 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.820 4.366 -18.556 1.00 0.00 H new ATOM 1303 N LEU A 115 -5.693 4.724 -15.736 1.00 0.00 N ATOM 1304 CA LEU A 115 -6.309 5.773 -14.928 1.00 0.00 C ATOM 1305 C LEU A 115 -5.680 7.117 -15.291 1.00 0.00 C ATOM 1306 O LEU A 115 -4.561 7.169 -15.801 1.00 0.00 O ATOM 1307 CB LEU A 115 -6.084 5.511 -13.437 1.00 0.00 C ATOM 1308 CG LEU A 115 -7.057 4.524 -12.783 1.00 0.00 C ATOM 1309 CD1 LEU A 115 -8.476 5.102 -12.799 1.00 0.00 C ATOM 1310 CD2 LEU A 115 -7.033 3.197 -13.547 1.00 0.00 C ATOM 0 H LEU A 115 -4.673 4.736 -15.735 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.380 5.784 -15.128 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.069 5.137 -13.301 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.147 6.461 -12.906 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.753 4.353 -11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.162 4.395 -12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.492 6.042 -12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.784 5.281 -13.829 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.725 2.496 -13.081 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.331 3.367 -14.582 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.026 2.782 -13.523 1.00 0.00 H new ATOM 1322 N THR A 116 -6.400 8.204 -15.030 1.00 0.00 N ATOM 1323 CA THR A 116 -5.877 9.535 -15.345 1.00 0.00 C ATOM 1324 C THR A 116 -5.854 10.418 -14.102 1.00 0.00 C ATOM 1325 O THR A 116 -6.530 10.140 -13.111 1.00 0.00 O ATOM 1326 CB THR A 116 -6.730 10.211 -16.418 1.00 0.00 C ATOM 1327 OG1 THR A 116 -7.063 9.265 -17.426 1.00 0.00 O ATOM 1328 CG2 THR A 116 -5.945 11.366 -17.038 1.00 0.00 C ATOM 0 H THR A 116 -7.329 8.195 -14.610 1.00 0.00 H new ATOM 0 HA THR A 116 -4.860 9.408 -15.716 1.00 0.00 H new ATOM 0 HB THR A 116 -7.645 10.595 -15.967 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.611 9.698 -18.113 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.552 11.849 -17.804 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.692 12.091 -16.264 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.030 10.983 -17.489 1.00 0.00 H new ATOM 1336 N LEU A 117 -5.064 11.488 -14.169 1.00 0.00 N ATOM 1337 CA LEU A 117 -4.950 12.413 -13.044 1.00 0.00 C ATOM 1338 C LEU A 117 -5.420 13.810 -13.440 1.00 0.00 C ATOM 1339 O LEU A 117 -5.048 14.330 -14.492 1.00 0.00 O ATOM 1340 CB LEU A 117 -3.499 12.503 -12.570 1.00 0.00 C ATOM 1341 CG LEU A 117 -3.330 12.897 -11.096 1.00 0.00 C ATOM 1342 CD1 LEU A 117 -2.289 11.999 -10.423 1.00 0.00 C ATOM 1343 CD2 LEU A 117 -2.877 14.359 -10.995 1.00 0.00 C ATOM 0 H LEU A 117 -4.499 11.734 -14.982 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.579 12.032 -12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.018 11.539 -12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.973 13.230 -13.189 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.289 12.775 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.179 12.289 -9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.614 10.960 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.331 12.107 -10.932 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.759 14.632 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.925 14.481 -11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.625 15.004 -11.456 1.00 0.00 H new ATOM 1355 N GLY A 118 -6.236 14.415 -12.579 1.00 0.00 N ATOM 1356 CA GLY A 118 -6.746 15.760 -12.842 1.00 0.00 C ATOM 1357 C GLY A 118 -6.652 16.632 -11.593 1.00 0.00 C ATOM 1358 O GLY A 118 -7.639 17.217 -11.150 1.00 0.00 O ATOM 0 H GLY A 118 -6.556 14.002 -11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -6.178 16.217 -13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.783 15.702 -13.173 1.00 0.00 H new ATOM 1362 N ASN A 119 -5.451 16.711 -11.032 1.00 0.00 N ATOM 1363 CA ASN A 119 -5.227 17.510 -9.828 1.00 0.00 C ATOM 1364 C ASN A 119 -5.099 18.998 -10.188 1.00 0.00 C ATOM 1365 O ASN A 119 -5.397 19.871 -9.372 1.00 0.00 O ATOM 1366 CB ASN A 119 -3.950 17.010 -9.109 1.00 0.00 C ATOM 1367 CG ASN A 119 -3.408 18.058 -8.135 1.00 0.00 C ATOM 1368 OD1 ASN A 119 -4.025 18.347 -7.109 1.00 0.00 O ATOM 1369 ND2 ASN A 119 -2.276 18.645 -8.408 1.00 0.00 N ATOM 0 H ASN A 119 -4.621 16.236 -11.387 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.079 17.398 -9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.172 16.090 -8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -3.186 16.769 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.898 19.346 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.768 18.403 -9.259 1.00 0.00 H new ATOM 1376 N ALA A 120 -4.643 19.275 -11.403 1.00 0.00 N ATOM 1377 CA ALA A 120 -4.466 20.658 -11.849 1.00 0.00 C ATOM 1378 C ALA A 120 -3.387 21.373 -11.034 1.00 0.00 C ATOM 1379 O ALA A 120 -3.352 22.601 -10.978 1.00 0.00 O ATOM 1380 CB ALA A 120 -5.778 21.441 -11.739 1.00 0.00 C ATOM 0 H ALA A 120 -4.390 18.570 -12.095 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.154 20.619 -12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -5.620 22.465 -12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.538 20.967 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.112 21.448 -10.701 1.00 0.00 H new ATOM 1386 N ASP A 121 -2.500 20.590 -10.417 1.00 0.00 N ATOM 1387 CA ASP A 121 -1.400 21.134 -9.611 1.00 0.00 C ATOM 1388 C ASP A 121 -1.918 21.784 -8.331 1.00 0.00 C ATOM 1389 O ASP A 121 -1.591 21.356 -7.224 1.00 0.00 O ATOM 1390 CB ASP A 121 -0.591 22.160 -10.412 1.00 0.00 C ATOM 1391 CG ASP A 121 0.664 22.542 -9.633 1.00 0.00 C ATOM 1392 OD1 ASP A 121 1.655 21.842 -9.764 1.00 0.00 O ATOM 1393 OD2 ASP A 121 0.616 23.530 -8.919 1.00 0.00 O ATOM 0 H ASP A 121 -2.521 19.571 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.754 20.298 -9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -0.317 21.745 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -1.196 23.046 -10.604 1.00 0.00 H new ATOM 1398 N LYS A 122 -2.719 22.823 -8.496 1.00 0.00 N ATOM 1399 CA LYS A 122 -3.274 23.539 -7.349 1.00 0.00 C ATOM 1400 C LYS A 122 -4.792 23.382 -7.295 1.00 0.00 C ATOM 1401 O LYS A 122 -5.522 24.329 -6.997 1.00 0.00 O ATOM 1402 CB LYS A 122 -2.923 25.027 -7.432 1.00 0.00 C ATOM 1403 CG LYS A 122 -3.394 25.590 -8.775 1.00 0.00 C ATOM 1404 CD LYS A 122 -3.861 27.034 -8.590 1.00 0.00 C ATOM 1405 CE LYS A 122 -4.240 27.627 -9.948 1.00 0.00 C ATOM 1406 NZ LYS A 122 -5.213 28.738 -9.752 1.00 0.00 N ATOM 0 H LYS A 122 -3.001 23.191 -9.404 1.00 0.00 H new ATOM 0 HA LYS A 122 -2.841 23.112 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.396 25.569 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.847 25.164 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.583 25.550 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.207 24.982 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.717 27.067 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.070 27.627 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.349 27.995 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.675 26.856 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.470 29.141 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.067 28.373 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.782 29.477 -9.160 1.00 0.00 H new ATOM 1420 N GLY A 123 -5.262 22.171 -7.580 1.00 0.00 N ATOM 1421 CA GLY A 123 -6.696 21.897 -7.554 1.00 0.00 C ATOM 1422 C GLY A 123 -7.067 21.119 -6.297 1.00 0.00 C ATOM 1423 O GLY A 123 -6.965 21.626 -5.182 1.00 0.00 O ATOM 0 H GLY A 123 -4.679 21.372 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.252 22.834 -7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.980 21.327 -8.439 1.00 0.00 H new ATOM 1427 N SER A 124 -7.492 19.874 -6.493 1.00 0.00 N ATOM 1428 CA SER A 124 -7.872 19.024 -5.367 1.00 0.00 C ATOM 1429 C SER A 124 -7.835 17.551 -5.766 1.00 0.00 C ATOM 1430 O SER A 124 -8.571 16.729 -5.221 1.00 0.00 O ATOM 1431 CB SER A 124 -9.278 19.374 -4.880 1.00 0.00 C ATOM 1432 OG SER A 124 -9.363 19.138 -3.481 1.00 0.00 O ATOM 0 H SER A 124 -7.582 19.435 -7.409 1.00 0.00 H new ATOM 0 HA SER A 124 -7.156 19.198 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.501 20.418 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.018 18.772 -5.408 1.00 0.00 H new ATOM 0 HG SER A 124 -10.263 19.363 -3.165 1.00 0.00 H new ATOM 1438 N TYR A 125 -6.962 17.231 -6.719 1.00 0.00 N ATOM 1439 CA TYR A 125 -6.820 15.856 -7.193 1.00 0.00 C ATOM 1440 C TYR A 125 -8.117 15.348 -7.814 1.00 0.00 C ATOM 1441 O TYR A 125 -9.211 15.558 -7.292 1.00 0.00 O ATOM 1442 CB TYR A 125 -6.421 14.923 -6.050 1.00 0.00 C ATOM 1443 CG TYR A 125 -5.081 15.347 -5.497 1.00 0.00 C ATOM 1444 CD1 TYR A 125 -3.903 14.868 -6.082 1.00 0.00 C ATOM 1445 CD2 TYR A 125 -5.017 16.217 -4.403 1.00 0.00 C ATOM 1446 CE1 TYR A 125 -2.659 15.258 -5.572 1.00 0.00 C ATOM 1447 CE2 TYR A 125 -3.773 16.608 -3.892 1.00 0.00 C ATOM 1448 CZ TYR A 125 -2.594 16.128 -4.478 1.00 0.00 C ATOM 1449 OH TYR A 125 -1.368 16.514 -3.974 1.00 0.00 O ATOM 0 H TYR A 125 -6.345 17.902 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 125 -6.037 15.859 -7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -7.176 14.950 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -6.370 13.894 -6.407 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -3.954 14.197 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -5.926 16.587 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -1.750 14.888 -6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -3.722 17.279 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 125 -1.502 17.120 -3.216 1.00 0.00 H new ATOM 1459 N THR A 126 -7.967 14.657 -8.934 1.00 0.00 N ATOM 1460 CA THR A 126 -9.105 14.085 -9.643 1.00 0.00 C ATOM 1461 C THR A 126 -8.635 12.871 -10.429 1.00 0.00 C ATOM 1462 O THR A 126 -7.474 12.791 -10.832 1.00 0.00 O ATOM 1463 CB THR A 126 -9.731 15.101 -10.603 1.00 0.00 C ATOM 1464 OG1 THR A 126 -9.671 16.394 -10.019 1.00 0.00 O ATOM 1465 CG2 THR A 126 -11.193 14.734 -10.873 1.00 0.00 C ATOM 0 H THR A 126 -7.065 14.477 -9.374 1.00 0.00 H new ATOM 0 HA THR A 126 -9.862 13.799 -8.913 1.00 0.00 H new ATOM 0 HB THR A 126 -9.181 15.093 -11.544 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.775 16.769 -10.147 1.00 0.00 H new ATOM 0 HG21 THR A 126 -11.631 15.462 -11.557 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.242 13.741 -11.320 1.00 0.00 H new ATOM 0 HG23 THR A 126 -11.748 14.738 -9.935 1.00 0.00 H new ATOM 1473 N TRP A 127 -9.529 11.910 -10.619 1.00 0.00 N ATOM 1474 CA TRP A 127 -9.160 10.684 -11.331 1.00 0.00 C ATOM 1475 C TRP A 127 -10.147 10.376 -12.455 1.00 0.00 C ATOM 1476 O TRP A 127 -11.353 10.594 -12.327 1.00 0.00 O ATOM 1477 CB TRP A 127 -9.122 9.458 -10.384 1.00 0.00 C ATOM 1478 CG TRP A 127 -8.949 9.882 -8.956 1.00 0.00 C ATOM 1479 CD1 TRP A 127 -7.959 10.679 -8.504 1.00 0.00 C ATOM 1480 CD2 TRP A 127 -9.777 9.561 -7.801 1.00 0.00 C ATOM 1481 NE1 TRP A 127 -8.117 10.862 -7.143 1.00 0.00 N ATOM 1482 CE2 TRP A 127 -9.226 10.194 -6.663 1.00 0.00 C ATOM 1483 CE3 TRP A 127 -10.941 8.789 -7.632 1.00 0.00 C ATOM 1484 CZ2 TRP A 127 -9.807 10.067 -5.401 1.00 0.00 C ATOM 1485 CZ3 TRP A 127 -11.529 8.657 -6.363 1.00 0.00 C ATOM 1486 CH2 TRP A 127 -10.962 9.296 -5.249 1.00 0.00 C ATOM 0 H TRP A 127 -10.497 11.948 -10.299 1.00 0.00 H new ATOM 0 HA TRP A 127 -8.166 10.861 -11.742 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.044 8.886 -10.487 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -8.304 8.798 -10.672 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -7.171 11.105 -9.107 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -7.491 11.422 -6.564 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -11.385 8.295 -8.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -9.367 10.561 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -12.422 8.061 -6.244 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -11.418 9.192 -4.276 1.00 0.00 H new ATOM 1497 N ALA A 128 -9.616 9.825 -13.542 1.00 0.00 N ATOM 1498 CA ALA A 128 -10.442 9.433 -14.682 1.00 0.00 C ATOM 1499 C ALA A 128 -10.229 7.947 -14.943 1.00 0.00 C ATOM 1500 O ALA A 128 -9.103 7.501 -15.164 1.00 0.00 O ATOM 1501 CB ALA A 128 -10.072 10.231 -15.934 1.00 0.00 C ATOM 0 H ALA A 128 -8.620 9.640 -13.659 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.487 9.638 -14.451 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.703 9.917 -16.765 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.222 11.294 -15.745 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -9.027 10.051 -16.184 1.00 0.00 H new ATOM 1507 N CYS A 129 -11.310 7.179 -14.880 1.00 0.00 N ATOM 1508 CA CYS A 129 -11.193 5.727 -15.078 1.00 0.00 C ATOM 1509 C CYS A 129 -11.103 5.345 -16.554 1.00 0.00 C ATOM 1510 O CYS A 129 -11.709 5.961 -17.429 1.00 0.00 O ATOM 1511 CB CYS A 129 -12.332 4.905 -14.413 1.00 0.00 C ATOM 1512 SG CYS A 129 -13.923 5.790 -14.352 1.00 0.00 S ATOM 0 H CYS A 129 -12.255 7.518 -14.699 1.00 0.00 H new ATOM 0 HA CYS A 129 -10.260 5.469 -14.578 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -12.464 3.972 -14.961 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -12.034 4.639 -13.399 1.00 0.00 H new ATOM 1517 N THR A 130 -10.319 4.297 -16.798 1.00 0.00 N ATOM 1518 CA THR A 130 -10.111 3.769 -18.141 1.00 0.00 C ATOM 1519 C THR A 130 -9.566 2.348 -18.018 1.00 0.00 C ATOM 1520 O THR A 130 -8.380 2.101 -18.224 1.00 0.00 O ATOM 1521 CB THR A 130 -9.117 4.642 -18.922 1.00 0.00 C ATOM 1522 OG1 THR A 130 -9.626 5.965 -19.017 1.00 0.00 O ATOM 1523 CG2 THR A 130 -8.916 4.071 -20.329 1.00 0.00 C ATOM 0 H THR A 130 -9.812 3.792 -16.071 1.00 0.00 H new ATOM 0 HA THR A 130 -11.057 3.769 -18.683 1.00 0.00 H new ATOM 0 HB THR A 130 -8.160 4.653 -18.400 1.00 0.00 H new ATOM 0 HG1 THR A 130 -10.578 5.966 -18.786 1.00 0.00 H new ATOM 0 HG21 THR A 130 -8.210 4.695 -20.877 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.524 3.056 -20.257 1.00 0.00 H new ATOM 0 HG23 THR A 130 -9.871 4.055 -20.855 1.00 0.00 H new ATOM 1531 N SER A 131 -10.444 1.420 -17.646 1.00 0.00 N ATOM 1532 CA SER A 131 -10.033 0.032 -17.456 1.00 0.00 C ATOM 1533 C SER A 131 -9.891 -0.700 -18.785 1.00 0.00 C ATOM 1534 O SER A 131 -10.581 -0.404 -19.760 1.00 0.00 O ATOM 1535 CB SER A 131 -11.055 -0.710 -16.593 1.00 0.00 C ATOM 1536 OG SER A 131 -10.755 -2.099 -16.594 1.00 0.00 O ATOM 0 H SER A 131 -11.433 1.600 -17.472 1.00 0.00 H new ATOM 0 HA SER A 131 -9.063 0.049 -16.960 1.00 0.00 H new ATOM 0 HB2 SER A 131 -11.036 -0.323 -15.574 1.00 0.00 H new ATOM 0 HB3 SER A 131 -12.061 -0.544 -16.978 1.00 0.00 H new ATOM 0 HG SER A 131 -11.408 -2.575 -16.040 1.00 0.00 H new ATOM 1542 N ASN A 132 -8.985 -1.673 -18.793 1.00 0.00 N ATOM 1543 CA ASN A 132 -8.735 -2.477 -19.982 1.00 0.00 C ATOM 1544 C ASN A 132 -8.710 -3.957 -19.598 1.00 0.00 C ATOM 1545 O ASN A 132 -7.730 -4.669 -19.833 1.00 0.00 O ATOM 1546 CB ASN A 132 -7.398 -2.086 -20.623 1.00 0.00 C ATOM 1547 CG ASN A 132 -7.187 -2.864 -21.921 1.00 0.00 C ATOM 1548 OD1 ASN A 132 -8.036 -3.660 -22.328 1.00 0.00 O ATOM 1549 ND2 ASN A 132 -6.090 -2.680 -22.605 1.00 0.00 N ATOM 0 H ASN A 132 -8.411 -1.923 -17.987 1.00 0.00 H new ATOM 0 HA ASN A 132 -9.532 -2.298 -20.704 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -7.383 -1.015 -20.826 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -6.581 -2.291 -19.931 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -5.938 -3.194 -23.473 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -5.385 -2.022 -22.271 1.00 0.00 H new ATOM 1556 N ALA A 133 -9.806 -4.405 -18.989 1.00 0.00 N ATOM 1557 CA ALA A 133 -9.919 -5.794 -18.559 1.00 0.00 C ATOM 1558 C ALA A 133 -11.276 -6.366 -18.962 1.00 0.00 C ATOM 1559 O ALA A 133 -12.038 -5.736 -19.693 1.00 0.00 O ATOM 1560 CB ALA A 133 -9.764 -5.899 -17.041 1.00 0.00 C ATOM 0 H ALA A 133 -10.623 -3.829 -18.784 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.126 -6.363 -19.044 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.851 -6.942 -16.738 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.786 -5.516 -16.748 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.544 -5.313 -16.554 1.00 0.00 H new ATOM 1566 N ASP A 134 -11.568 -7.569 -18.472 1.00 0.00 N ATOM 1567 CA ASP A 134 -12.838 -8.218 -18.785 1.00 0.00 C ATOM 1568 C ASP A 134 -13.999 -7.429 -18.187 1.00 0.00 C ATOM 1569 O ASP A 134 -14.320 -7.567 -17.007 1.00 0.00 O ATOM 1570 CB ASP A 134 -12.863 -9.644 -18.231 1.00 0.00 C ATOM 1571 CG ASP A 134 -12.520 -9.622 -16.746 1.00 0.00 C ATOM 1572 OD1 ASP A 134 -11.348 -9.489 -16.431 1.00 0.00 O ATOM 1573 OD2 ASP A 134 -13.433 -9.737 -15.945 1.00 0.00 O ATOM 0 H ASP A 134 -10.951 -8.108 -17.864 1.00 0.00 H new ATOM 0 HA ASP A 134 -12.942 -8.251 -19.870 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -13.848 -10.086 -18.380 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -12.149 -10.267 -18.770 1.00 0.00 H new ATOM 1704 N CYS A 142 -16.913 4.176 -17.013 1.00 0.00 N ATOM 1705 CA CYS A 142 -15.871 4.741 -17.868 1.00 0.00 C ATOM 1706 C CYS A 142 -15.741 3.927 -19.152 1.00 0.00 C ATOM 1707 O CYS A 142 -16.448 2.940 -19.354 1.00 0.00 O ATOM 1708 CB CYS A 142 -14.523 4.753 -17.141 1.00 0.00 C ATOM 1709 SG CYS A 142 -14.324 6.323 -16.259 1.00 0.00 S ATOM 0 HA CYS A 142 -16.154 5.765 -18.113 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -14.469 3.921 -16.439 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -13.711 4.620 -17.856 1.00 0.00 H new ATOM 1714 N GLN A 143 -14.826 4.355 -20.018 1.00 0.00 N ATOM 1715 CA GLN A 143 -14.609 3.662 -21.285 1.00 0.00 C ATOM 1716 C GLN A 143 -13.553 2.574 -21.124 1.00 0.00 C ATOM 1717 O GLN A 143 -13.016 2.365 -20.037 1.00 0.00 O ATOM 1718 CB GLN A 143 -14.150 4.645 -22.364 1.00 0.00 C ATOM 1719 CG GLN A 143 -12.919 5.409 -21.870 1.00 0.00 C ATOM 1720 CD GLN A 143 -12.098 5.879 -23.066 1.00 0.00 C ATOM 1721 OE1 GLN A 143 -12.110 5.246 -24.122 1.00 0.00 O ATOM 1722 NE2 GLN A 143 -11.378 6.962 -22.962 1.00 0.00 N ATOM 0 H GLN A 143 -14.229 5.169 -19.869 1.00 0.00 H new ATOM 0 HA GLN A 143 -15.554 3.210 -21.585 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.913 4.108 -23.283 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -14.953 5.343 -22.600 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.226 6.264 -21.268 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.313 4.768 -21.229 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -11.368 7.486 -22.087 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -10.825 7.285 -23.756 1.00 0.00 H new ATOM 1731 N THR A 144 -13.261 1.884 -22.223 1.00 0.00 N ATOM 1732 CA THR A 144 -12.267 0.817 -22.199 1.00 0.00 C ATOM 1733 C THR A 144 -11.056 1.197 -23.047 1.00 0.00 C ATOM 1734 O THR A 144 -11.194 1.651 -24.184 1.00 0.00 O ATOM 1735 CB THR A 144 -12.865 -0.490 -22.732 1.00 0.00 C ATOM 1736 OG1 THR A 144 -11.833 -1.459 -22.878 1.00 0.00 O ATOM 1737 CG2 THR A 144 -13.536 -0.243 -24.088 1.00 0.00 C ATOM 0 H THR A 144 -13.694 2.043 -23.133 1.00 0.00 H new ATOM 0 HA THR A 144 -11.954 0.673 -21.165 1.00 0.00 H new ATOM 0 HB THR A 144 -13.611 -0.857 -22.027 1.00 0.00 H new ATOM 0 HG1 THR A 144 -12.215 -2.295 -23.217 1.00 0.00 H new ATOM 0 HG21 THR A 144 -13.958 -1.176 -24.460 1.00 0.00 H new ATOM 0 HG22 THR A 144 -14.330 0.494 -23.972 1.00 0.00 H new ATOM 0 HG23 THR A 144 -12.797 0.129 -24.797 1.00 0.00 H new ATOM 1745 N ALA A 145 -9.869 1.007 -22.480 1.00 0.00 N ATOM 1746 CA ALA A 145 -8.636 1.334 -23.190 1.00 0.00 C ATOM 1747 C ALA A 145 -8.419 0.367 -24.350 1.00 0.00 C ATOM 1748 O ALA A 145 -8.702 -0.826 -24.244 1.00 0.00 O ATOM 1749 CB ALA A 145 -7.435 1.257 -22.246 1.00 0.00 C ATOM 0 H ALA A 145 -9.734 0.632 -21.541 1.00 0.00 H new ATOM 0 HA ALA A 145 -8.729 2.350 -23.574 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.525 1.504 -22.794 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.569 1.964 -21.428 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.353 0.248 -21.843 1.00 0.00 H new