USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 639 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 56 SER OG : rot 180:sc= -1.15 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.125 X(o=0.2,f=0.37) USER MOD Set 2.2: A 48 CYS SG : rot 1:sc= 0.324 USER MOD Single : A 6 GLN :FLIP amide:sc= -2.41! C(o=-4.7!,f=-2.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.321 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.59 F(o=-2.8!,f=-0.59) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -72:sc= 0.486 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00162 USER MOD Single : A 42 THR OG1 : rot -17:sc= 0.637 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.463 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.373 F(o=-5.3!,f=-0.37) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 155:sc= 0 (180deg=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 170:sc= -2.15! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -3.17! (180deg=-5.98!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 86 SER OG : rot -15:sc= -0.73 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -179:sc= -0.0532 USER MOD Single : A 91 LYS NZ :NH3+ 168:sc=-0.00815 (180deg=-0.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -17.201 6.297 -0.120 1.00 0.00 N ATOM 63 CA GLN A 6 -16.036 7.112 -0.417 1.00 0.00 C ATOM 64 C GLN A 6 -14.823 6.236 -0.734 1.00 0.00 C ATOM 65 O GLN A 6 -14.522 5.294 0.001 1.00 0.00 O ATOM 66 CB GLN A 6 -15.740 8.021 0.774 1.00 0.00 C ATOM 67 CG GLN A 6 -14.503 8.878 0.600 1.00 0.00 C ATOM 68 CD GLN A 6 -14.658 9.958 -0.461 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.850 10.074 -1.037 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -13.712 10.690 -0.753 1.00 0.00 N flip ATOM 0 HA GLN A 6 -16.245 7.721 -1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.599 8.670 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.622 7.407 1.667 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.259 9.348 1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.661 8.238 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.812 10.570 -0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.828 11.417 -1.459 1.00 0.00 H new ATOM 79 N PRO A 7 -14.107 6.535 -1.836 1.00 0.00 N ATOM 80 CA PRO A 7 -12.925 5.767 -2.245 1.00 0.00 C ATOM 81 C PRO A 7 -11.862 5.703 -1.149 1.00 0.00 C ATOM 82 O PRO A 7 -11.665 6.667 -0.409 1.00 0.00 O ATOM 83 CB PRO A 7 -12.393 6.539 -3.457 1.00 0.00 C ATOM 84 CG PRO A 7 -13.564 7.301 -3.972 1.00 0.00 C ATOM 85 CD PRO A 7 -14.396 7.639 -2.769 1.00 0.00 C ATOM 0 HA PRO A 7 -13.175 4.728 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.580 7.208 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.999 5.862 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.244 8.204 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -14.134 6.706 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.119 8.605 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.457 7.691 -3.015 1.00 0.00 H new ATOM 93 N PRO A 8 -11.159 4.560 -1.031 1.00 0.00 N ATOM 94 CA PRO A 8 -10.110 4.374 -0.022 1.00 0.00 C ATOM 95 C PRO A 8 -9.012 5.426 -0.132 1.00 0.00 C ATOM 96 O PRO A 8 -8.622 5.813 -1.233 1.00 0.00 O ATOM 97 CB PRO A 8 -9.543 2.980 -0.328 1.00 0.00 C ATOM 98 CG PRO A 8 -10.016 2.651 -1.704 1.00 0.00 C ATOM 99 CD PRO A 8 -11.325 3.365 -1.874 1.00 0.00 C ATOM 0 HA PRO A 8 -10.505 4.470 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.454 2.979 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.897 2.245 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.294 2.977 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.140 1.575 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.510 3.628 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.165 2.753 -1.546 1.00 0.00 H new ATOM 107 N LEU A 9 -8.515 5.885 1.013 1.00 0.00 N ATOM 108 CA LEU A 9 -7.459 6.892 1.033 1.00 0.00 C ATOM 109 C LEU A 9 -6.455 6.590 2.144 1.00 0.00 C ATOM 110 O LEU A 9 -6.818 6.503 3.317 1.00 0.00 O ATOM 111 CB LEU A 9 -8.070 8.287 1.225 1.00 0.00 C ATOM 112 CG LEU A 9 -7.185 9.469 0.811 1.00 0.00 C ATOM 113 CD1 LEU A 9 -7.966 10.771 0.899 1.00 0.00 C ATOM 114 CD2 LEU A 9 -5.935 9.549 1.673 1.00 0.00 C ATOM 0 H LEU A 9 -8.825 5.577 1.935 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.931 6.868 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.999 8.337 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.333 8.406 2.276 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.875 9.310 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.325 11.601 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.829 10.723 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.305 10.923 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.328 10.397 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.221 9.678 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.359 8.630 1.565 1.00 0.00 H new ATOM 126 N VAL A 10 -5.191 6.426 1.761 1.00 0.00 N ATOM 127 CA VAL A 10 -4.127 6.127 2.716 1.00 0.00 C ATOM 128 C VAL A 10 -3.572 7.396 3.359 1.00 0.00 C ATOM 129 O VAL A 10 -3.297 8.381 2.675 1.00 0.00 O ATOM 130 CB VAL A 10 -2.976 5.354 2.041 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.853 5.079 3.030 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.493 4.057 1.438 1.00 0.00 C ATOM 0 H VAL A 10 -4.878 6.495 0.793 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.570 5.506 3.495 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.572 5.972 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.053 4.533 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.464 6.023 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.236 4.483 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.670 3.522 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.925 3.437 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.256 4.281 0.692 1.00 0.00 H new ATOM 142 N THR A 11 -3.400 7.354 4.679 1.00 0.00 N ATOM 143 CA THR A 11 -2.871 8.489 5.433 1.00 0.00 C ATOM 144 C THR A 11 -2.184 8.019 6.712 1.00 0.00 C ATOM 145 O THR A 11 -2.422 8.563 7.791 1.00 0.00 O ATOM 146 CB THR A 11 -3.978 9.492 5.815 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.054 8.809 6.468 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.503 10.229 4.594 1.00 0.00 C ATOM 0 H THR A 11 -3.621 6.540 5.252 1.00 0.00 H new ATOM 0 HA THR A 11 -2.151 8.985 4.782 1.00 0.00 H new ATOM 0 HB THR A 11 -3.545 10.226 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.752 9.453 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.282 10.928 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.688 10.777 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.916 9.511 3.886 1.00 0.00 H new ATOM 156 N GLY A 12 -1.335 7.004 6.586 1.00 0.00 N ATOM 157 CA GLY A 12 -0.635 6.483 7.745 1.00 0.00 C ATOM 158 C GLY A 12 0.360 5.395 7.392 1.00 0.00 C ATOM 159 O GLY A 12 0.111 4.576 6.508 1.00 0.00 O ATOM 0 H GLY A 12 -1.120 6.535 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.112 7.299 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.362 6.088 8.455 1.00 0.00 H new ATOM 163 N ILE A 13 1.488 5.388 8.094 1.00 0.00 N ATOM 164 CA ILE A 13 2.532 4.396 7.869 1.00 0.00 C ATOM 165 C ILE A 13 3.457 4.312 9.079 1.00 0.00 C ATOM 166 O ILE A 13 3.930 5.332 9.581 1.00 0.00 O ATOM 167 CB ILE A 13 3.361 4.723 6.608 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.471 3.687 6.411 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.948 6.126 6.703 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.209 3.832 5.098 1.00 0.00 C ATOM 0 H ILE A 13 1.703 6.063 8.828 1.00 0.00 H new ATOM 0 HA ILE A 13 2.041 3.434 7.719 1.00 0.00 H new ATOM 0 HB ILE A 13 2.700 4.686 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.185 3.771 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.038 2.688 6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.529 6.339 5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.141 6.853 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.595 6.191 7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.980 3.065 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.507 3.718 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.672 4.818 5.048 1.00 0.00 H new ATOM 182 N SER A 14 3.699 3.093 9.554 1.00 0.00 N ATOM 183 CA SER A 14 4.555 2.891 10.716 1.00 0.00 C ATOM 184 C SER A 14 5.993 3.337 10.428 1.00 0.00 C ATOM 185 O SER A 14 6.509 4.225 11.108 1.00 0.00 O ATOM 186 CB SER A 14 4.516 1.426 11.166 1.00 0.00 C ATOM 187 OG SER A 14 3.199 1.035 11.514 1.00 0.00 O ATOM 0 H SER A 14 3.316 2.236 9.154 1.00 0.00 H new ATOM 0 HA SER A 14 4.173 3.509 11.529 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.889 0.786 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.178 1.287 12.021 1.00 0.00 H new ATOM 0 HG SER A 14 3.200 0.096 11.796 1.00 0.00 H new ATOM 193 N PRO A 15 6.671 2.745 9.420 1.00 0.00 N ATOM 194 CA PRO A 15 8.038 3.116 9.080 1.00 0.00 C ATOM 195 C PRO A 15 8.104 4.243 8.054 1.00 0.00 C ATOM 196 O PRO A 15 7.485 4.165 6.994 1.00 0.00 O ATOM 197 CB PRO A 15 8.591 1.823 8.496 1.00 0.00 C ATOM 198 CG PRO A 15 7.419 1.179 7.827 1.00 0.00 C ATOM 199 CD PRO A 15 6.175 1.674 8.531 1.00 0.00 C ATOM 0 HA PRO A 15 8.593 3.497 9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.394 2.020 7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.005 1.182 9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.391 1.437 6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.490 0.093 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.439 2.053 7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.692 0.877 9.097 1.00 0.00 H new ATOM 207 N ASN A 16 8.864 5.286 8.371 1.00 0.00 N ATOM 208 CA ASN A 16 9.014 6.421 7.466 1.00 0.00 C ATOM 209 C ASN A 16 10.388 6.386 6.797 1.00 0.00 C ATOM 210 O ASN A 16 10.913 7.417 6.374 1.00 0.00 O ATOM 211 CB ASN A 16 8.829 7.736 8.231 1.00 0.00 C ATOM 212 CG ASN A 16 8.714 8.947 7.319 1.00 0.00 C ATOM 213 OD1 ASN A 16 8.656 8.715 6.011 1.00 0.00 O flip ATOM 214 ND2 ASN A 16 8.668 10.084 7.789 1.00 0.00 N flip ATOM 0 H ASN A 16 9.384 5.369 9.244 1.00 0.00 H new ATOM 0 HA ASN A 16 8.248 6.356 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.933 7.667 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.672 7.877 8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.715 10.221 8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.582 10.889 7.169 1.00 0.00 H new ATOM 221 N GLU A 17 10.959 5.186 6.706 1.00 0.00 N ATOM 222 CA GLU A 17 12.271 4.989 6.092 1.00 0.00 C ATOM 223 C GLU A 17 12.692 3.523 6.185 1.00 0.00 C ATOM 224 O GLU A 17 12.610 2.913 7.250 1.00 0.00 O ATOM 225 CB GLU A 17 13.322 5.878 6.767 1.00 0.00 C ATOM 226 CG GLU A 17 13.436 5.656 8.267 1.00 0.00 C ATOM 227 CD GLU A 17 14.467 6.560 8.916 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.098 7.359 8.193 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.644 6.469 10.149 1.00 0.00 O ATOM 0 H GLU A 17 10.529 4.329 7.053 1.00 0.00 H new ATOM 0 HA GLU A 17 12.198 5.268 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.292 5.693 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.075 6.923 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.465 5.828 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.700 4.616 8.457 1.00 0.00 H new ATOM 236 N GLY A 18 13.135 2.961 5.062 1.00 0.00 N ATOM 237 CA GLY A 18 13.552 1.569 5.050 1.00 0.00 C ATOM 238 C GLY A 18 13.659 0.999 3.647 1.00 0.00 C ATOM 239 O GLY A 18 12.931 1.411 2.746 1.00 0.00 O ATOM 0 H GLY A 18 13.212 3.442 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.517 1.479 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.840 0.976 5.625 1.00 0.00 H new ATOM 243 N ILE A 19 14.568 0.045 3.465 1.00 0.00 N ATOM 244 CA ILE A 19 14.764 -0.588 2.164 1.00 0.00 C ATOM 245 C ILE A 19 13.460 -1.212 1.659 1.00 0.00 C ATOM 246 O ILE A 19 12.557 -1.493 2.447 1.00 0.00 O ATOM 247 CB ILE A 19 15.869 -1.663 2.224 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.509 -2.750 3.243 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.204 -1.019 2.575 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.517 -3.878 3.314 1.00 0.00 C ATOM 0 H ILE A 19 15.180 -0.307 4.201 1.00 0.00 H new ATOM 0 HA ILE A 19 15.077 0.190 1.468 1.00 0.00 H new ATOM 0 HB ILE A 19 15.954 -2.133 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.417 -2.295 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.532 -3.163 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.978 -1.785 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.463 -0.281 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.128 -0.529 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.194 -4.608 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.593 -4.360 2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.491 -3.479 3.598 1.00 0.00 H new ATOM 262 N PRO A 20 13.332 -1.416 0.333 1.00 0.00 N ATOM 263 CA PRO A 20 12.121 -1.987 -0.273 1.00 0.00 C ATOM 264 C PRO A 20 11.630 -3.257 0.422 1.00 0.00 C ATOM 265 O PRO A 20 10.428 -3.461 0.576 1.00 0.00 O ATOM 266 CB PRO A 20 12.562 -2.303 -1.702 1.00 0.00 C ATOM 267 CG PRO A 20 13.633 -1.313 -1.991 1.00 0.00 C ATOM 268 CD PRO A 20 14.350 -1.084 -0.687 1.00 0.00 C ATOM 0 HA PRO A 20 11.280 -1.297 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.933 -3.324 -1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.733 -2.207 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.317 -1.689 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.212 -0.383 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.230 -1.720 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.691 -0.053 -0.593 1.00 0.00 H new ATOM 276 N TRP A 21 12.554 -4.121 0.821 1.00 0.00 N ATOM 277 CA TRP A 21 12.182 -5.371 1.477 1.00 0.00 C ATOM 278 C TRP A 21 11.666 -5.147 2.896 1.00 0.00 C ATOM 279 O TRP A 21 10.977 -6.003 3.450 1.00 0.00 O ATOM 280 CB TRP A 21 13.357 -6.349 1.491 1.00 0.00 C ATOM 281 CG TRP A 21 13.794 -6.764 0.119 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.853 -6.275 -0.588 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.164 -7.738 -0.720 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.933 -6.900 -1.809 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.904 -7.801 -1.915 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.050 -8.571 -0.573 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.565 -8.660 -2.958 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.712 -9.422 -1.609 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.468 -9.461 -2.788 1.00 0.00 C ATOM 0 H TRP A 21 13.558 -3.983 0.704 1.00 0.00 H new ATOM 0 HA TRP A 21 11.368 -5.803 0.895 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.198 -5.889 2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.077 -7.235 2.060 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.530 -5.509 -0.239 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.642 -6.723 -2.521 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.464 -8.550 0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.146 -8.693 -3.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.852 -10.067 -1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.179 -10.137 -3.579 1.00 0.00 H new ATOM 300 N THR A 22 12.001 -4.004 3.484 1.00 0.00 N ATOM 301 CA THR A 22 11.561 -3.694 4.842 1.00 0.00 C ATOM 302 C THR A 22 10.042 -3.750 4.954 1.00 0.00 C ATOM 303 O THR A 22 9.328 -3.169 4.138 1.00 0.00 O ATOM 304 CB THR A 22 12.046 -2.302 5.295 1.00 0.00 C ATOM 305 OG1 THR A 22 13.476 -2.269 5.333 1.00 0.00 O ATOM 306 CG2 THR A 22 11.491 -1.952 6.669 1.00 0.00 C ATOM 0 H THR A 22 12.572 -3.280 3.047 1.00 0.00 H new ATOM 0 HA THR A 22 12.001 -4.450 5.492 1.00 0.00 H new ATOM 0 HB THR A 22 11.684 -1.567 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.775 -1.381 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.848 -0.966 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.402 -1.947 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.825 -2.692 7.396 1.00 0.00 H new ATOM 314 N LYS A 23 9.555 -4.448 5.974 1.00 0.00 N ATOM 315 CA LYS A 23 8.120 -4.573 6.195 1.00 0.00 C ATOM 316 C LYS A 23 7.516 -3.218 6.550 1.00 0.00 C ATOM 317 O LYS A 23 8.079 -2.470 7.349 1.00 0.00 O ATOM 318 CB LYS A 23 7.842 -5.584 7.311 1.00 0.00 C ATOM 319 CG LYS A 23 6.361 -5.824 7.563 1.00 0.00 C ATOM 320 CD LYS A 23 6.137 -6.872 8.642 1.00 0.00 C ATOM 321 CE LYS A 23 6.672 -8.233 8.222 1.00 0.00 C ATOM 322 NZ LYS A 23 6.471 -9.261 9.279 1.00 0.00 N ATOM 0 H LYS A 23 10.132 -4.935 6.660 1.00 0.00 H new ATOM 0 HA LYS A 23 7.657 -4.930 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.317 -6.532 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.306 -5.232 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.886 -4.889 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.882 -6.145 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.627 -6.557 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.072 -6.950 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.173 -8.552 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.735 -8.150 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.849 -10.173 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.968 -8.970 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.455 -9.359 9.479 1.00 0.00 H new ATOM 336 N VAL A 24 6.373 -2.904 5.950 1.00 0.00 N ATOM 337 CA VAL A 24 5.703 -1.635 6.206 1.00 0.00 C ATOM 338 C VAL A 24 4.208 -1.836 6.433 1.00 0.00 C ATOM 339 O VAL A 24 3.530 -2.493 5.641 1.00 0.00 O ATOM 340 CB VAL A 24 5.915 -0.641 5.044 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.394 -0.351 4.852 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.303 -1.173 3.757 1.00 0.00 C ATOM 0 H VAL A 24 5.892 -3.509 5.285 1.00 0.00 H new ATOM 0 HA VAL A 24 6.147 -1.219 7.110 1.00 0.00 H new ATOM 0 HB VAL A 24 5.411 0.291 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.523 0.351 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.801 0.082 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.920 -1.278 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.465 -0.455 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.772 -2.122 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.233 -1.324 3.898 1.00 0.00 H new ATOM 352 N THR A 25 3.700 -1.269 7.523 1.00 0.00 N ATOM 353 CA THR A 25 2.286 -1.385 7.854 1.00 0.00 C ATOM 354 C THR A 25 1.469 -0.308 7.148 1.00 0.00 C ATOM 355 O THR A 25 1.725 0.884 7.311 1.00 0.00 O ATOM 356 CB THR A 25 2.055 -1.282 9.374 1.00 0.00 C ATOM 357 OG1 THR A 25 2.772 -2.322 10.050 1.00 0.00 O ATOM 358 CG2 THR A 25 0.574 -1.385 9.708 1.00 0.00 C ATOM 0 H THR A 25 4.247 -0.725 8.191 1.00 0.00 H new ATOM 0 HA THR A 25 1.958 -2.367 7.513 1.00 0.00 H new ATOM 0 HB THR A 25 2.420 -0.310 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.622 -2.249 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.438 -1.309 10.787 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.033 -0.576 9.217 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.188 -2.343 9.360 1.00 0.00 H new ATOM 366 N ILE A 26 0.482 -0.736 6.365 1.00 0.00 N ATOM 367 CA ILE A 26 -0.374 0.194 5.640 1.00 0.00 C ATOM 368 C ILE A 26 -1.500 0.710 6.531 1.00 0.00 C ATOM 369 O ILE A 26 -2.111 -0.055 7.275 1.00 0.00 O ATOM 370 CB ILE A 26 -0.984 -0.462 4.385 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.122 -0.982 3.463 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.872 0.529 3.646 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.400 -1.680 2.224 1.00 0.00 C ATOM 0 H ILE A 26 0.257 -1.720 6.218 1.00 0.00 H new ATOM 0 HA ILE A 26 0.255 1.029 5.332 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.597 -1.307 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.754 -0.147 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.753 -1.674 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.295 0.050 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.678 0.855 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.280 1.392 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.439 -2.022 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.008 -2.536 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.007 -0.985 1.644 1.00 0.00 H new ATOM 385 N ARG A 27 -1.771 2.008 6.446 1.00 0.00 N ATOM 386 CA ARG A 27 -2.828 2.627 7.240 1.00 0.00 C ATOM 387 C ARG A 27 -3.529 3.721 6.443 1.00 0.00 C ATOM 388 O ARG A 27 -2.877 4.556 5.816 1.00 0.00 O ATOM 389 CB ARG A 27 -2.254 3.217 8.533 1.00 0.00 C ATOM 390 CG ARG A 27 -1.591 2.193 9.444 1.00 0.00 C ATOM 391 CD ARG A 27 -2.590 1.170 9.963 1.00 0.00 C ATOM 392 NE ARG A 27 -3.676 1.791 10.717 1.00 0.00 N ATOM 393 CZ ARG A 27 -3.503 2.458 11.856 1.00 0.00 C ATOM 394 NH1 ARG A 27 -2.292 2.580 12.386 1.00 0.00 N ATOM 395 NH2 ARG A 27 -4.545 3.001 12.470 1.00 0.00 N ATOM 0 H ARG A 27 -1.272 2.654 5.834 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.555 1.855 7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.524 3.985 8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.056 3.710 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.797 1.682 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.123 2.704 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.006 0.613 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.074 0.451 10.599 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.624 1.709 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.487 2.161 11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.167 3.092 13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.478 2.908 12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.413 3.512 13.343 1.00 0.00 H new ATOM 409 N GLY A 28 -4.858 3.713 6.470 1.00 0.00 N ATOM 410 CA GLY A 28 -5.622 4.710 5.742 1.00 0.00 C ATOM 411 C GLY A 28 -7.093 4.694 6.106 1.00 0.00 C ATOM 412 O GLY A 28 -7.444 4.636 7.284 1.00 0.00 O ATOM 0 H GLY A 28 -5.420 3.034 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.211 5.699 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.514 4.535 4.672 1.00 0.00 H new ATOM 416 N GLU A 29 -7.955 4.747 5.095 1.00 0.00 N ATOM 417 CA GLU A 29 -9.396 4.742 5.320 1.00 0.00 C ATOM 418 C GLU A 29 -10.125 3.940 4.244 1.00 0.00 C ATOM 419 O GLU A 29 -9.940 4.171 3.050 1.00 0.00 O ATOM 420 CB GLU A 29 -9.935 6.176 5.332 1.00 0.00 C ATOM 421 CG GLU A 29 -9.355 7.050 6.433 1.00 0.00 C ATOM 422 CD GLU A 29 -9.736 6.574 7.821 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.949 6.451 8.094 1.00 0.00 O ATOM 424 OE2 GLU A 29 -8.824 6.332 8.639 1.00 0.00 O ATOM 0 H GLU A 29 -7.681 4.794 4.114 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.576 4.271 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.726 6.639 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.019 6.144 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.269 7.066 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.701 8.075 6.297 1.00 0.00 H new ATOM 431 N ASN A 30 -10.971 3.014 4.687 1.00 0.00 N ATOM 432 CA ASN A 30 -11.762 2.183 3.782 1.00 0.00 C ATOM 433 C ASN A 30 -10.895 1.490 2.730 1.00 0.00 C ATOM 434 O ASN A 30 -11.280 1.403 1.563 1.00 0.00 O ATOM 435 CB ASN A 30 -12.826 3.037 3.091 1.00 0.00 C ATOM 436 CG ASN A 30 -13.689 3.793 4.081 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.367 3.193 4.915 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.668 5.117 3.992 1.00 0.00 N ATOM 0 H ASN A 30 -11.128 2.819 5.676 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.237 1.407 4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.340 3.746 2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.458 2.397 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.229 5.680 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.091 5.571 3.285 1.00 0.00 H new ATOM 445 N LEU A 31 -9.736 0.986 3.144 1.00 0.00 N ATOM 446 CA LEU A 31 -8.837 0.294 2.222 1.00 0.00 C ATOM 447 C LEU A 31 -9.516 -0.924 1.606 1.00 0.00 C ATOM 448 O LEU A 31 -9.344 -1.208 0.421 1.00 0.00 O ATOM 449 CB LEU A 31 -7.547 -0.131 2.931 1.00 0.00 C ATOM 450 CG LEU A 31 -6.514 0.982 3.133 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.086 2.105 3.981 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.250 0.423 3.768 1.00 0.00 C ATOM 0 H LEU A 31 -9.398 1.042 4.105 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.584 0.992 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.807 -0.544 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.084 -0.934 2.357 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.259 1.393 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.334 2.883 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.961 2.525 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.374 1.714 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.526 1.226 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.492 -0.016 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.825 -0.342 3.119 1.00 0.00 H new ATOM 464 N GLY A 32 -10.289 -1.641 2.417 1.00 0.00 N ATOM 465 CA GLY A 32 -10.982 -2.819 1.930 1.00 0.00 C ATOM 466 C GLY A 32 -11.866 -3.454 2.985 1.00 0.00 C ATOM 467 O GLY A 32 -11.437 -3.667 4.120 1.00 0.00 O ATOM 0 H GLY A 32 -10.447 -1.427 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.590 -2.547 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.250 -3.550 1.586 1.00 0.00 H new ATOM 471 N THR A 33 -13.104 -3.758 2.608 1.00 0.00 N ATOM 472 CA THR A 33 -14.058 -4.373 3.524 1.00 0.00 C ATOM 473 C THR A 33 -13.601 -5.767 3.943 1.00 0.00 C ATOM 474 O THR A 33 -13.803 -6.180 5.085 1.00 0.00 O ATOM 475 CB THR A 33 -15.459 -4.471 2.894 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.411 -5.275 1.709 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.995 -3.089 2.552 1.00 0.00 C ATOM 0 H THR A 33 -13.471 -3.588 1.672 1.00 0.00 H new ATOM 0 HA THR A 33 -14.108 -3.732 4.404 1.00 0.00 H new ATOM 0 HB THR A 33 -16.127 -4.935 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.956 -4.780 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.986 -3.183 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.059 -2.489 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.324 -2.604 1.843 1.00 0.00 H new ATOM 485 N GLY A 34 -12.988 -6.489 3.010 1.00 0.00 N ATOM 486 CA GLY A 34 -12.516 -7.831 3.298 1.00 0.00 C ATOM 487 C GLY A 34 -11.476 -8.306 2.299 1.00 0.00 C ATOM 488 O GLY A 34 -11.197 -7.617 1.319 1.00 0.00 O ATOM 0 H GLY A 34 -12.810 -6.168 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.090 -7.856 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.361 -8.519 3.293 1.00 0.00 H new ATOM 492 N PRO A 35 -10.878 -9.492 2.523 1.00 0.00 N ATOM 493 CA PRO A 35 -9.860 -10.042 1.622 1.00 0.00 C ATOM 494 C PRO A 35 -10.370 -10.171 0.192 1.00 0.00 C ATOM 495 O PRO A 35 -9.668 -9.832 -0.761 1.00 0.00 O ATOM 496 CB PRO A 35 -9.563 -11.425 2.210 1.00 0.00 C ATOM 497 CG PRO A 35 -9.984 -11.337 3.635 1.00 0.00 C ATOM 498 CD PRO A 35 -11.146 -10.386 3.665 1.00 0.00 C ATOM 0 HA PRO A 35 -8.983 -9.398 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.114 -12.204 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.504 -11.671 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.271 -12.316 4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.168 -10.976 4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.097 -10.908 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.192 -9.836 4.605 1.00 0.00 H new ATOM 506 N THR A 36 -11.598 -10.659 0.052 1.00 0.00 N ATOM 507 CA THR A 36 -12.207 -10.830 -1.260 1.00 0.00 C ATOM 508 C THR A 36 -12.331 -9.493 -1.984 1.00 0.00 C ATOM 509 O THR A 36 -12.086 -9.404 -3.188 1.00 0.00 O ATOM 510 CB THR A 36 -13.602 -11.472 -1.151 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.463 -10.640 -0.365 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.514 -12.855 -0.522 1.00 0.00 C ATOM 0 H THR A 36 -12.191 -10.943 0.832 1.00 0.00 H new ATOM 0 HA THR A 36 -11.554 -11.491 -1.830 1.00 0.00 H new ATOM 0 HB THR A 36 -14.011 -11.573 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.349 -11.054 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.512 -13.289 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.881 -13.495 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.086 -12.774 0.477 1.00 0.00 H new ATOM 520 N ASP A 37 -12.710 -8.457 -1.241 1.00 0.00 N ATOM 521 CA ASP A 37 -12.864 -7.121 -1.808 1.00 0.00 C ATOM 522 C ASP A 37 -11.552 -6.641 -2.418 1.00 0.00 C ATOM 523 O ASP A 37 -11.523 -6.164 -3.553 1.00 0.00 O ATOM 524 CB ASP A 37 -13.330 -6.140 -0.728 1.00 0.00 C ATOM 525 CG ASP A 37 -13.599 -4.749 -1.275 1.00 0.00 C ATOM 526 OD1 ASP A 37 -13.469 -4.554 -2.502 1.00 0.00 O ATOM 527 OD2 ASP A 37 -13.943 -3.855 -0.475 1.00 0.00 O ATOM 0 H ASP A 37 -12.916 -8.517 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.616 -7.166 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.237 -6.524 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.572 -6.078 0.053 1.00 0.00 H new ATOM 532 N LEU A 38 -10.468 -6.772 -1.661 1.00 0.00 N ATOM 533 CA LEU A 38 -9.156 -6.354 -2.136 1.00 0.00 C ATOM 534 C LEU A 38 -8.666 -7.309 -3.220 1.00 0.00 C ATOM 535 O LEU A 38 -8.653 -8.525 -3.027 1.00 0.00 O ATOM 536 CB LEU A 38 -8.155 -6.324 -0.976 1.00 0.00 C ATOM 537 CG LEU A 38 -7.044 -5.271 -1.076 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.075 -5.414 0.087 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.300 -5.369 -2.399 1.00 0.00 C ATOM 0 H LEU A 38 -10.473 -7.163 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.239 -5.351 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.706 -6.156 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.691 -7.307 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.512 -4.288 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.292 -4.660 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.611 -5.277 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.626 -6.407 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.520 -4.608 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.848 -6.357 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.998 -5.213 -3.221 1.00 0.00 H new ATOM 551 N ILE A 39 -8.261 -6.756 -4.356 1.00 0.00 N ATOM 552 CA ILE A 39 -7.766 -7.563 -5.466 1.00 0.00 C ATOM 553 C ILE A 39 -6.627 -6.851 -6.182 1.00 0.00 C ATOM 554 O ILE A 39 -5.642 -7.473 -6.579 1.00 0.00 O ATOM 555 CB ILE A 39 -8.880 -7.884 -6.483 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.485 -6.592 -7.043 1.00 0.00 C ATOM 557 CG2 ILE A 39 -9.956 -8.748 -5.839 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.522 -6.823 -8.124 1.00 0.00 C ATOM 0 H ILE A 39 -8.265 -5.752 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.405 -8.499 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.443 -8.442 -7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.942 -6.032 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.685 -5.972 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.734 -8.965 -6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.513 -9.682 -5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.391 -8.216 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.905 -5.864 -8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.065 -7.355 -8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.342 -7.417 -7.720 1.00 0.00 H new ATOM 570 N GLY A 40 -6.769 -5.542 -6.343 1.00 0.00 N ATOM 571 CA GLY A 40 -5.747 -4.757 -7.007 1.00 0.00 C ATOM 572 C GLY A 40 -4.935 -3.922 -6.036 1.00 0.00 C ATOM 573 O GLY A 40 -5.493 -3.255 -5.165 1.00 0.00 O ATOM 0 H GLY A 40 -7.577 -5.008 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.080 -5.423 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.216 -4.102 -7.741 1.00 0.00 H new ATOM 577 N LEU A 41 -3.615 -3.957 -6.187 1.00 0.00 N ATOM 578 CA LEU A 41 -2.726 -3.193 -5.318 1.00 0.00 C ATOM 579 C LEU A 41 -1.457 -2.803 -6.069 1.00 0.00 C ATOM 580 O LEU A 41 -1.012 -3.520 -6.966 1.00 0.00 O ATOM 581 CB LEU A 41 -2.365 -3.998 -4.069 1.00 0.00 C ATOM 582 CG LEU A 41 -1.659 -3.197 -2.973 1.00 0.00 C ATOM 583 CD1 LEU A 41 -2.608 -2.180 -2.358 1.00 0.00 C ATOM 584 CD2 LEU A 41 -1.108 -4.126 -1.905 1.00 0.00 C ATOM 0 H LEU A 41 -3.137 -4.506 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.249 -2.288 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.277 -4.429 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.724 -4.830 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.825 -2.659 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.088 -1.620 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.955 -1.493 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.463 -2.697 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.609 -3.539 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.925 -4.692 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.393 -4.815 -2.355 1.00 0.00 H new ATOM 596 N THR A 42 -0.879 -1.662 -5.704 1.00 0.00 N ATOM 597 CA THR A 42 0.336 -1.182 -6.356 1.00 0.00 C ATOM 598 C THR A 42 1.080 -0.176 -5.482 1.00 0.00 C ATOM 599 O THR A 42 0.469 0.672 -4.832 1.00 0.00 O ATOM 600 CB THR A 42 0.018 -0.524 -7.714 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.674 -1.450 -8.560 1.00 0.00 O ATOM 602 CG2 THR A 42 1.292 -0.060 -8.407 1.00 0.00 C ATOM 0 H THR A 42 -1.230 -1.055 -4.964 1.00 0.00 H new ATOM 0 HA THR A 42 0.970 -2.054 -6.516 1.00 0.00 H new ATOM 0 HB THR A 42 -0.614 0.344 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.550 -2.360 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.040 0.400 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.804 0.668 -7.778 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.945 -0.915 -8.578 1.00 0.00 H new ATOM 610 N ILE A 43 2.407 -0.277 -5.481 1.00 0.00 N ATOM 611 CA ILE A 43 3.251 0.621 -4.700 1.00 0.00 C ATOM 612 C ILE A 43 4.458 1.063 -5.522 1.00 0.00 C ATOM 613 O ILE A 43 5.190 0.231 -6.060 1.00 0.00 O ATOM 614 CB ILE A 43 3.746 -0.053 -3.404 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.557 -0.494 -2.546 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.650 0.893 -2.624 1.00 0.00 C ATOM 617 CD1 ILE A 43 2.955 -1.240 -1.290 1.00 0.00 C ATOM 0 H ILE A 43 2.922 -0.976 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 43 2.645 1.487 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 43 4.325 -0.937 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.976 0.385 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.905 -1.130 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.991 0.402 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.512 1.160 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.096 1.795 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.060 -1.520 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.510 -2.138 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.582 -0.600 -0.670 1.00 0.00 H new ATOM 629 N CYS A 44 4.657 2.375 -5.619 1.00 0.00 N ATOM 630 CA CYS A 44 5.772 2.927 -6.383 1.00 0.00 C ATOM 631 C CYS A 44 5.754 2.398 -7.816 1.00 0.00 C ATOM 632 O CYS A 44 6.798 2.102 -8.395 1.00 0.00 O ATOM 633 CB CYS A 44 7.103 2.580 -5.711 1.00 0.00 C ATOM 634 SG CYS A 44 7.255 3.189 -4.016 1.00 0.00 S ATOM 0 H CYS A 44 4.061 3.075 -5.178 1.00 0.00 H new ATOM 0 HA CYS A 44 5.665 4.011 -6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.225 1.497 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.917 2.991 -6.308 1.00 0.00 H new ATOM 0 HG CYS A 44 8.412 2.844 -3.533 1.00 0.00 H new ATOM 640 N GLY A 45 4.555 2.281 -8.378 1.00 0.00 N ATOM 641 CA GLY A 45 4.411 1.785 -9.735 1.00 0.00 C ATOM 642 C GLY A 45 4.887 0.352 -9.881 1.00 0.00 C ATOM 643 O GLY A 45 5.316 -0.060 -10.959 1.00 0.00 O ATOM 0 H GLY A 45 3.678 2.522 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.365 1.849 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.976 2.424 -10.414 1.00 0.00 H new ATOM 647 N HIS A 46 4.807 -0.410 -8.794 1.00 0.00 N ATOM 648 CA HIS A 46 5.226 -1.808 -8.801 1.00 0.00 C ATOM 649 C HIS A 46 4.153 -2.699 -8.182 1.00 0.00 C ATOM 650 O HIS A 46 3.624 -2.395 -7.113 1.00 0.00 O ATOM 651 CB HIS A 46 6.544 -1.974 -8.039 1.00 0.00 C ATOM 652 CG HIS A 46 7.114 -3.356 -8.125 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.504 -3.936 -9.314 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.359 -4.277 -7.162 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.963 -5.152 -9.080 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.888 -5.382 -7.782 1.00 0.00 N ATOM 0 H HIS A 46 4.455 -0.082 -7.895 1.00 0.00 H new ATOM 0 HA HIS A 46 5.374 -2.111 -9.837 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.273 -1.264 -8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.383 -1.721 -6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.173 -4.163 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.336 -5.841 -9.824 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.176 -6.242 -7.315 1.00 0.00 H new ATOM 665 N ASN A 47 3.838 -3.800 -8.856 1.00 0.00 N ATOM 666 CA ASN A 47 2.828 -4.733 -8.365 1.00 0.00 C ATOM 667 C ASN A 47 3.303 -5.419 -7.086 1.00 0.00 C ATOM 668 O ASN A 47 4.439 -5.890 -7.011 1.00 0.00 O ATOM 669 CB ASN A 47 2.513 -5.783 -9.436 1.00 0.00 C ATOM 670 CG ASN A 47 1.338 -6.676 -9.071 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.635 -6.338 -7.993 1.00 0.00 O flip ATOM 672 ND2 ASN A 47 1.052 -7.651 -9.764 1.00 0.00 N flip ATOM 0 H ASN A 47 4.266 -4.069 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 47 1.922 -4.170 -8.140 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.299 -5.279 -10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.395 -6.402 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.616 -7.877 -10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.251 -8.233 -9.519 1.00 0.00 H new ATOM 679 N CYS A 48 2.429 -5.474 -6.084 1.00 0.00 N ATOM 680 CA CYS A 48 2.759 -6.103 -4.808 1.00 0.00 C ATOM 681 C CYS A 48 1.502 -6.645 -4.127 1.00 0.00 C ATOM 682 O CYS A 48 1.343 -6.535 -2.912 1.00 0.00 O ATOM 683 CB CYS A 48 3.454 -5.099 -3.882 1.00 0.00 C ATOM 684 SG CYS A 48 5.021 -4.457 -4.516 1.00 0.00 S ATOM 0 H CYS A 48 1.485 -5.090 -6.131 1.00 0.00 H new ATOM 0 HA CYS A 48 3.435 -6.934 -5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.779 -4.262 -3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.634 -5.576 -2.919 1.00 0.00 H new ATOM 0 HG CYS A 48 5.256 -4.967 -5.689 1.00 0.00 H new ATOM 690 N LEU A 49 0.610 -7.228 -4.924 1.00 0.00 N ATOM 691 CA LEU A 49 -0.637 -7.786 -4.407 1.00 0.00 C ATOM 692 C LEU A 49 -0.409 -9.181 -3.823 1.00 0.00 C ATOM 693 O LEU A 49 -0.935 -9.513 -2.761 1.00 0.00 O ATOM 694 CB LEU A 49 -1.689 -7.833 -5.527 1.00 0.00 C ATOM 695 CG LEU A 49 -3.128 -8.169 -5.104 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.273 -9.641 -4.754 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.565 -7.301 -3.932 1.00 0.00 C ATOM 0 H LEU A 49 0.728 -7.326 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.002 -7.144 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.698 -6.865 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.370 -8.570 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.777 -7.958 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.302 -9.845 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.017 -10.248 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.604 -9.887 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.586 -7.557 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.901 -7.473 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.521 -6.251 -4.221 1.00 0.00 H new ATOM 709 N LEU A 50 0.367 -9.995 -4.534 1.00 0.00 N ATOM 710 CA LEU A 50 0.657 -11.361 -4.102 1.00 0.00 C ATOM 711 C LEU A 50 1.211 -11.401 -2.677 1.00 0.00 C ATOM 712 O LEU A 50 0.889 -12.303 -1.904 1.00 0.00 O ATOM 713 CB LEU A 50 1.645 -12.038 -5.063 1.00 0.00 C ATOM 714 CG LEU A 50 3.075 -11.483 -5.053 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.006 -12.415 -5.812 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.124 -10.088 -5.659 1.00 0.00 C ATOM 0 H LEU A 50 0.808 -9.732 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.286 -11.907 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.686 -13.100 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.251 -11.956 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 50 3.405 -11.416 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.018 -12.010 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.002 -13.397 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.667 -12.507 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.149 -9.719 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.772 -10.127 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.486 -9.418 -5.083 1.00 0.00 H new ATOM 728 N THR A 51 2.055 -10.430 -2.339 1.00 0.00 N ATOM 729 CA THR A 51 2.658 -10.372 -1.010 1.00 0.00 C ATOM 730 C THR A 51 1.697 -9.783 0.021 1.00 0.00 C ATOM 731 O THR A 51 1.672 -10.215 1.174 1.00 0.00 O ATOM 732 CB THR A 51 3.955 -9.540 -1.015 1.00 0.00 C ATOM 733 OG1 THR A 51 3.686 -8.211 -1.476 1.00 0.00 O ATOM 734 CG2 THR A 51 5.014 -10.184 -1.899 1.00 0.00 C ATOM 0 H THR A 51 2.336 -9.675 -2.964 1.00 0.00 H new ATOM 0 HA THR A 51 2.891 -11.400 -0.733 1.00 0.00 H new ATOM 0 HB THR A 51 4.334 -9.500 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.516 -7.690 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.919 -9.576 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.241 -11.183 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.641 -10.255 -2.921 1.00 0.00 H new ATOM 742 N ALA A 52 0.921 -8.788 -0.395 1.00 0.00 N ATOM 743 CA ALA A 52 -0.029 -8.129 0.496 1.00 0.00 C ATOM 744 C ALA A 52 -1.039 -9.111 1.083 1.00 0.00 C ATOM 745 O ALA A 52 -1.591 -9.953 0.373 1.00 0.00 O ATOM 746 CB ALA A 52 -0.752 -7.013 -0.241 1.00 0.00 C ATOM 0 H ALA A 52 0.931 -8.419 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 52 0.539 -7.708 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.458 -6.529 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.026 -6.280 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.291 -7.429 -1.092 1.00 0.00 H new ATOM 752 N GLU A 53 -1.285 -8.982 2.385 1.00 0.00 N ATOM 753 CA GLU A 53 -2.239 -9.840 3.082 1.00 0.00 C ATOM 754 C GLU A 53 -3.267 -8.994 3.829 1.00 0.00 C ATOM 755 O GLU A 53 -2.914 -8.045 4.530 1.00 0.00 O ATOM 756 CB GLU A 53 -1.513 -10.766 4.060 1.00 0.00 C ATOM 757 CG GLU A 53 -2.443 -11.692 4.830 1.00 0.00 C ATOM 758 CD GLU A 53 -3.241 -12.608 3.921 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.619 -13.403 3.186 1.00 0.00 O ATOM 760 OE2 GLU A 53 -4.487 -12.529 3.945 1.00 0.00 O ATOM 0 H GLU A 53 -0.834 -8.288 2.981 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.756 -10.450 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.790 -11.368 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.949 -10.160 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.856 -12.295 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.129 -11.094 5.430 1.00 0.00 H new ATOM 767 N TRP A 54 -4.539 -9.339 3.667 1.00 0.00 N ATOM 768 CA TRP A 54 -5.622 -8.606 4.318 1.00 0.00 C ATOM 769 C TRP A 54 -5.570 -8.766 5.835 1.00 0.00 C ATOM 770 O TRP A 54 -5.099 -9.781 6.348 1.00 0.00 O ATOM 771 CB TRP A 54 -6.979 -9.083 3.801 1.00 0.00 C ATOM 772 CG TRP A 54 -8.111 -8.204 4.235 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.539 -7.063 3.624 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.938 -8.377 5.392 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.597 -6.524 4.317 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.858 -7.311 5.409 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.996 -9.333 6.410 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.822 -7.175 6.404 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.952 -9.196 7.399 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.854 -8.124 7.390 1.00 0.00 C ATOM 0 H TRP A 54 -4.847 -10.122 3.090 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.493 -7.551 4.077 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.954 -9.123 2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.159 -10.099 4.153 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.109 -6.644 2.726 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.105 -5.677 4.061 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.306 -10.164 6.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.520 -6.350 6.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.004 -9.927 8.192 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.589 -8.045 8.177 1.00 0.00 H new ATOM 791 N MET A 55 -6.073 -7.757 6.544 1.00 0.00 N ATOM 792 CA MET A 55 -6.105 -7.774 8.005 1.00 0.00 C ATOM 793 C MET A 55 -7.296 -6.978 8.529 1.00 0.00 C ATOM 794 O MET A 55 -7.978 -7.405 9.460 1.00 0.00 O ATOM 795 CB MET A 55 -4.809 -7.206 8.583 1.00 0.00 C ATOM 796 CG MET A 55 -3.621 -8.133 8.416 1.00 0.00 C ATOM 797 SD MET A 55 -2.132 -7.511 9.216 1.00 0.00 S ATOM 798 CE MET A 55 -1.048 -8.917 9.004 1.00 0.00 C ATOM 0 H MET A 55 -6.466 -6.913 6.127 1.00 0.00 H new ATOM 0 HA MET A 55 -6.207 -8.811 8.324 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.590 -6.255 8.099 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.953 -6.998 9.643 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.868 -9.111 8.829 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.424 -8.276 7.354 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.011 -8.583 9.022 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.214 -9.629 9.812 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.258 -9.397 8.048 1.00 0.00 H new ATOM 808 N SER A 56 -7.538 -5.817 7.926 1.00 0.00 N ATOM 809 CA SER A 56 -8.645 -4.959 8.331 1.00 0.00 C ATOM 810 C SER A 56 -8.854 -3.841 7.316 1.00 0.00 C ATOM 811 O SER A 56 -8.029 -3.641 6.424 1.00 0.00 O ATOM 812 CB SER A 56 -8.379 -4.365 9.714 1.00 0.00 C ATOM 813 OG SER A 56 -7.211 -3.563 9.707 1.00 0.00 O ATOM 0 H SER A 56 -6.981 -5.450 7.155 1.00 0.00 H new ATOM 0 HA SER A 56 -9.550 -5.565 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.234 -3.766 10.027 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.269 -5.168 10.443 1.00 0.00 H new ATOM 0 HG SER A 56 -7.063 -3.193 10.602 1.00 0.00 H new ATOM 819 N ALA A 57 -9.962 -3.116 7.453 1.00 0.00 N ATOM 820 CA ALA A 57 -10.272 -2.019 6.544 1.00 0.00 C ATOM 821 C ALA A 57 -9.405 -0.792 6.829 1.00 0.00 C ATOM 822 O ALA A 57 -9.853 0.343 6.670 1.00 0.00 O ATOM 823 CB ALA A 57 -11.747 -1.658 6.641 1.00 0.00 C ATOM 0 H ALA A 57 -10.657 -3.269 8.183 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.052 -2.352 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.966 -0.838 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.352 -2.524 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.981 -1.353 7.661 1.00 0.00 H new ATOM 829 N SER A 58 -8.160 -1.032 7.239 1.00 0.00 N ATOM 830 CA SER A 58 -7.225 0.049 7.538 1.00 0.00 C ATOM 831 C SER A 58 -5.860 -0.506 7.937 1.00 0.00 C ATOM 832 O SER A 58 -5.134 0.111 8.716 1.00 0.00 O ATOM 833 CB SER A 58 -7.769 0.935 8.660 1.00 0.00 C ATOM 834 OG SER A 58 -7.990 0.185 9.841 1.00 0.00 O ATOM 0 H SER A 58 -7.776 -1.968 7.371 1.00 0.00 H new ATOM 0 HA SER A 58 -7.109 0.649 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.065 1.742 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.702 1.400 8.341 1.00 0.00 H new ATOM 0 HG SER A 58 -8.336 0.775 10.543 1.00 0.00 H new ATOM 840 N LYS A 59 -5.515 -1.671 7.395 1.00 0.00 N ATOM 841 CA LYS A 59 -4.234 -2.302 7.693 1.00 0.00 C ATOM 842 C LYS A 59 -3.929 -3.408 6.689 1.00 0.00 C ATOM 843 O LYS A 59 -4.769 -4.271 6.431 1.00 0.00 O ATOM 844 CB LYS A 59 -4.242 -2.872 9.114 1.00 0.00 C ATOM 845 CG LYS A 59 -2.942 -3.558 9.504 1.00 0.00 C ATOM 846 CD LYS A 59 -3.004 -4.120 10.918 1.00 0.00 C ATOM 847 CE LYS A 59 -3.174 -3.021 11.957 1.00 0.00 C ATOM 848 NZ LYS A 59 -3.219 -3.567 13.341 1.00 0.00 N ATOM 0 H LYS A 59 -6.104 -2.196 6.748 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.455 -1.543 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.442 -2.065 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.061 -3.586 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.731 -4.364 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.119 -2.847 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.834 -4.823 10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.092 -4.680 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.350 -2.312 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.092 -2.469 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.336 -2.787 14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.020 -4.224 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.333 -4.072 13.544 1.00 0.00 H new ATOM 862 N ILE A 60 -2.724 -3.376 6.123 1.00 0.00 N ATOM 863 CA ILE A 60 -2.310 -4.377 5.142 1.00 0.00 C ATOM 864 C ILE A 60 -0.799 -4.591 5.183 1.00 0.00 C ATOM 865 O ILE A 60 -0.025 -3.653 4.993 1.00 0.00 O ATOM 866 CB ILE A 60 -2.701 -3.957 3.706 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.209 -3.719 3.597 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.257 -5.017 2.707 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.645 -3.179 2.251 1.00 0.00 C ATOM 0 H ILE A 60 -2.018 -2.669 6.327 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.824 -5.302 5.403 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.193 -3.021 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.731 -4.657 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.515 -3.020 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.539 -4.709 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.175 -5.137 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.739 -5.965 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.726 -3.036 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.152 -2.225 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.372 -3.887 1.469 1.00 0.00 H new ATOM 881 N VAL A 61 -0.384 -5.834 5.418 1.00 0.00 N ATOM 882 CA VAL A 61 1.035 -6.167 5.463 1.00 0.00 C ATOM 883 C VAL A 61 1.546 -6.521 4.069 1.00 0.00 C ATOM 884 O VAL A 61 0.914 -7.291 3.346 1.00 0.00 O ATOM 885 CB VAL A 61 1.315 -7.340 6.425 1.00 0.00 C ATOM 886 CG1 VAL A 61 0.568 -8.591 5.987 1.00 0.00 C ATOM 887 CG2 VAL A 61 2.810 -7.610 6.518 1.00 0.00 C ATOM 0 H VAL A 61 -1.009 -6.624 5.580 1.00 0.00 H new ATOM 0 HA VAL A 61 1.561 -5.287 5.832 1.00 0.00 H new ATOM 0 HB VAL A 61 0.954 -7.061 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.782 -9.404 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.504 -8.391 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.890 -8.875 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.988 -8.441 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.196 -7.863 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.318 -6.720 6.889 1.00 0.00 H new ATOM 897 N CYS A 62 2.686 -5.950 3.691 1.00 0.00 N ATOM 898 CA CYS A 62 3.264 -6.209 2.376 1.00 0.00 C ATOM 899 C CYS A 62 4.665 -5.627 2.261 1.00 0.00 C ATOM 900 O CYS A 62 5.021 -4.685 2.969 1.00 0.00 O ATOM 901 CB CYS A 62 2.375 -5.627 1.276 1.00 0.00 C ATOM 902 SG CYS A 62 2.124 -3.840 1.402 1.00 0.00 S ATOM 0 H CYS A 62 3.225 -5.309 4.273 1.00 0.00 H new ATOM 0 HA CYS A 62 3.329 -7.290 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.819 -5.854 0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.405 -6.123 1.307 1.00 0.00 H new ATOM 0 HG CYS A 62 1.544 -3.406 0.322 1.00 0.00 H new ATOM 908 N ARG A 63 5.454 -6.191 1.352 1.00 0.00 N ATOM 909 CA ARG A 63 6.815 -5.727 1.127 1.00 0.00 C ATOM 910 C ARG A 63 6.815 -4.540 0.172 1.00 0.00 C ATOM 911 O ARG A 63 6.121 -4.550 -0.844 1.00 0.00 O ATOM 912 CB ARG A 63 7.673 -6.858 0.561 1.00 0.00 C ATOM 913 CG ARG A 63 7.734 -8.078 1.463 1.00 0.00 C ATOM 914 CD ARG A 63 8.567 -9.189 0.847 1.00 0.00 C ATOM 915 NE ARG A 63 8.618 -10.371 1.702 1.00 0.00 N ATOM 916 CZ ARG A 63 9.288 -11.477 1.395 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.964 -11.555 0.257 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.282 -12.509 2.229 1.00 0.00 N ATOM 0 H ARG A 63 5.172 -6.972 0.759 1.00 0.00 H new ATOM 0 HA ARG A 63 7.238 -5.410 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.277 -7.153 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.685 -6.488 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.157 -7.797 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.724 -8.442 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.150 -9.460 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.579 -8.827 0.668 1.00 0.00 H new ATOM 0 HE ARG A 63 8.110 -10.347 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.971 -10.764 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.477 -12.406 0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.763 -12.453 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.796 -13.358 1.994 1.00 0.00 H new ATOM 932 N VAL A 64 7.582 -3.512 0.515 1.00 0.00 N ATOM 933 CA VAL A 64 7.654 -2.309 -0.307 1.00 0.00 C ATOM 934 C VAL A 64 8.136 -2.634 -1.714 1.00 0.00 C ATOM 935 O VAL A 64 9.109 -3.366 -1.894 1.00 0.00 O ATOM 936 CB VAL A 64 8.596 -1.255 0.299 1.00 0.00 C ATOM 937 CG1 VAL A 64 8.170 0.141 -0.123 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.657 -1.377 1.814 1.00 0.00 C ATOM 0 H VAL A 64 8.161 -3.487 1.354 1.00 0.00 H new ATOM 0 HA VAL A 64 6.643 -1.903 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 64 9.601 -1.436 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.846 0.876 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.203 0.219 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.154 0.332 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.331 -0.619 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.660 -1.233 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.024 -2.367 2.085 1.00 0.00 H new ATOM 1052 N GLY A 72 5.910 7.508 -4.966 1.00 0.00 N ATOM 1053 CA GLY A 72 5.604 6.203 -4.410 1.00 0.00 C ATOM 1054 C GLY A 72 4.267 6.177 -3.694 1.00 0.00 C ATOM 1055 O GLY A 72 4.153 5.624 -2.601 1.00 0.00 O ATOM 0 HA2 GLY A 72 5.599 5.463 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.391 5.914 -3.714 1.00 0.00 H new ATOM 1059 N ASP A 73 3.254 6.777 -4.313 1.00 0.00 N ATOM 1060 CA ASP A 73 1.919 6.820 -3.726 1.00 0.00 C ATOM 1061 C ASP A 73 1.356 5.414 -3.553 1.00 0.00 C ATOM 1062 O ASP A 73 1.407 4.595 -4.472 1.00 0.00 O ATOM 1063 CB ASP A 73 0.981 7.654 -4.602 1.00 0.00 C ATOM 1064 CG ASP A 73 1.443 9.091 -4.746 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.486 9.444 -4.155 1.00 0.00 O ATOM 1066 OD2 ASP A 73 0.760 9.865 -5.449 1.00 0.00 O ATOM 0 H ASP A 73 3.332 7.239 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 73 1.996 7.285 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.911 7.198 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.021 7.639 -4.172 1.00 0.00 H new ATOM 1071 N ILE A 74 0.823 5.139 -2.366 1.00 0.00 N ATOM 1072 CA ILE A 74 0.253 3.832 -2.068 1.00 0.00 C ATOM 1073 C ILE A 74 -1.201 3.748 -2.524 1.00 0.00 C ATOM 1074 O ILE A 74 -2.118 4.113 -1.789 1.00 0.00 O ATOM 1075 CB ILE A 74 0.339 3.526 -0.560 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.793 3.629 -0.090 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.228 2.144 -0.264 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.964 3.481 1.406 1.00 0.00 C ATOM 0 H ILE A 74 0.775 5.805 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 74 0.835 3.091 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.256 4.259 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.382 2.861 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.197 4.593 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.159 1.944 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.272 2.105 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.341 1.392 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.020 3.565 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.404 4.265 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.591 2.506 1.720 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.399 3.267 -3.749 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.735 3.131 -4.320 1.00 0.00 C ATOM 1092 C ILE A 75 -3.322 1.753 -4.026 1.00 0.00 C ATOM 1093 O ILE A 75 -2.599 0.757 -3.984 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.713 3.359 -5.846 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -2.122 4.735 -6.173 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -4.114 3.226 -6.429 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.893 5.894 -5.572 1.00 0.00 C ATOM 0 H ILE A 75 -0.647 2.964 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.362 3.892 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.081 2.595 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.093 4.772 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.088 4.857 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.077 3.390 -7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.499 2.226 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.770 3.966 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.413 6.833 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.916 5.885 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.905 5.799 -4.486 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.637 1.702 -3.828 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.318 0.443 -3.544 1.00 0.00 C ATOM 1111 C VAL A 76 -6.662 0.371 -4.266 1.00 0.00 C ATOM 1112 O VAL A 76 -7.481 1.286 -4.178 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.537 0.249 -2.031 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.335 1.405 -1.456 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.225 -1.081 -1.752 1.00 0.00 C ATOM 0 H VAL A 76 -5.250 2.516 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.674 -0.357 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.563 0.232 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.480 1.251 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.794 2.337 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.305 1.458 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.370 -1.197 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.193 -1.102 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.605 -1.896 -2.125 1.00 0.00 H new ATOM 1125 N THR A 77 -6.874 -0.725 -4.989 1.00 0.00 N ATOM 1126 CA THR A 77 -8.110 -0.927 -5.738 1.00 0.00 C ATOM 1127 C THR A 77 -9.062 -1.859 -4.993 1.00 0.00 C ATOM 1128 O THR A 77 -8.633 -2.814 -4.346 1.00 0.00 O ATOM 1129 CB THR A 77 -7.827 -1.508 -7.137 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.929 -0.648 -7.851 1.00 0.00 O ATOM 1131 CG2 THR A 77 -9.115 -1.668 -7.931 1.00 0.00 C ATOM 0 H THR A 77 -6.203 -1.489 -5.072 1.00 0.00 H new ATOM 0 HA THR A 77 -8.579 0.051 -5.846 1.00 0.00 H new ATOM 0 HB THR A 77 -7.372 -2.490 -7.011 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.752 -1.024 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.888 -2.080 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.787 -2.343 -7.402 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.594 -0.696 -8.047 1.00 0.00 H new ATOM 1139 N THR A 78 -10.358 -1.576 -5.094 1.00 0.00 N ATOM 1140 CA THR A 78 -11.375 -2.389 -4.436 1.00 0.00 C ATOM 1141 C THR A 78 -12.485 -2.767 -5.412 1.00 0.00 C ATOM 1142 O THR A 78 -12.887 -1.959 -6.249 1.00 0.00 O ATOM 1143 CB THR A 78 -11.993 -1.655 -3.232 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.589 -0.424 -3.661 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.939 -1.371 -2.173 1.00 0.00 C ATOM 0 H THR A 78 -10.728 -0.789 -5.626 1.00 0.00 H new ATOM 0 HA THR A 78 -10.879 -3.292 -4.081 1.00 0.00 H new ATOM 0 HB THR A 78 -12.759 -2.297 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.981 0.036 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.399 -0.852 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.508 -2.311 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.154 -0.747 -2.599 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.968 -4.002 -5.305 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.025 -4.489 -6.186 1.00 0.00 C ATOM 1155 C LYS A 79 -15.262 -3.599 -6.110 1.00 0.00 C ATOM 1156 O LYS A 79 -15.813 -3.201 -7.137 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.391 -5.930 -5.827 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.236 -6.905 -5.988 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.615 -8.319 -5.570 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.610 -8.957 -6.532 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.939 -8.286 -6.502 1.00 0.00 N ATOM 0 H LYS A 79 -12.645 -4.683 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.650 -4.460 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.742 -5.962 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.220 -6.254 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.910 -6.910 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.390 -6.566 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.716 -8.934 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.044 -8.297 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.209 -8.917 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.732 -10.010 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.690 -8.998 -6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.058 -7.792 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.999 -7.599 -7.281 1.00 0.00 H new ATOM 1175 N SER A 80 -15.693 -3.286 -4.892 1.00 0.00 N ATOM 1176 CA SER A 80 -16.864 -2.438 -4.693 1.00 0.00 C ATOM 1177 C SER A 80 -16.604 -1.033 -5.224 1.00 0.00 C ATOM 1178 O SER A 80 -17.355 -0.521 -6.054 1.00 0.00 O ATOM 1179 CB SER A 80 -17.231 -2.379 -3.209 1.00 0.00 C ATOM 1180 OG SER A 80 -17.550 -3.666 -2.711 1.00 0.00 O ATOM 0 H SER A 80 -15.251 -3.606 -4.030 1.00 0.00 H new ATOM 0 HA SER A 80 -17.699 -2.870 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.399 -1.962 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.080 -1.710 -3.067 1.00 0.00 H new ATOM 0 HG SER A 80 -17.779 -3.601 -1.760 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.529 -0.420 -4.742 1.00 0.00 N ATOM 1187 CA GLY A 81 -15.171 0.917 -5.177 1.00 0.00 C ATOM 1188 C GLY A 81 -14.328 0.901 -6.437 1.00 0.00 C ATOM 1189 O GLY A 81 -14.720 0.319 -7.449 1.00 0.00 O ATOM 0 H GLY A 81 -14.896 -0.828 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.078 1.494 -5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.623 1.422 -4.381 1.00 0.00 H new ATOM 1193 N GLY A 82 -13.164 1.539 -6.369 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.268 1.585 -7.509 1.00 0.00 C ATOM 1195 C GLY A 82 -10.898 2.111 -7.133 1.00 0.00 C ATOM 1196 O GLY A 82 -10.382 1.791 -6.062 1.00 0.00 O ATOM 0 H GLY A 82 -12.824 2.027 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.169 0.586 -7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.699 2.219 -8.284 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.307 2.920 -8.005 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.991 3.485 -7.736 1.00 0.00 C ATOM 1202 C LYS A 83 -9.058 4.448 -6.557 1.00 0.00 C ATOM 1203 O LYS A 83 -9.757 5.461 -6.610 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.454 4.206 -8.975 1.00 0.00 C ATOM 1205 CG LYS A 83 -7.061 4.787 -8.785 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.576 5.493 -10.042 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.181 6.069 -9.854 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.683 6.734 -11.089 1.00 0.00 N ATOM 0 H LYS A 83 -10.715 3.198 -8.898 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.312 2.670 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.437 3.508 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.140 5.009 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.069 5.490 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.366 3.990 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.572 4.791 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.269 6.293 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.193 6.788 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.495 5.272 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.730 7.113 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.647 6.043 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.324 7.512 -11.347 1.00 0.00 H new ATOM 1222 N GLY A 84 -8.334 4.124 -5.491 1.00 0.00 N ATOM 1223 CA GLY A 84 -8.334 4.970 -4.313 1.00 0.00 C ATOM 1224 C GLY A 84 -7.506 6.228 -4.489 1.00 0.00 C ATOM 1225 O GLY A 84 -7.386 6.753 -5.597 1.00 0.00 O ATOM 0 H GLY A 84 -7.748 3.292 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.360 5.247 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.949 4.403 -3.465 1.00 0.00 H new ATOM 1229 N THR A 85 -6.933 6.703 -3.386 1.00 0.00 N ATOM 1230 CA THR A 85 -6.104 7.906 -3.388 1.00 0.00 C ATOM 1231 C THR A 85 -5.134 7.885 -2.211 1.00 0.00 C ATOM 1232 O THR A 85 -5.428 7.302 -1.169 1.00 0.00 O ATOM 1233 CB THR A 85 -6.955 9.193 -3.297 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.828 9.124 -2.163 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.774 9.411 -4.560 1.00 0.00 C ATOM 0 H THR A 85 -7.029 6.267 -2.469 1.00 0.00 H new ATOM 0 HA THR A 85 -5.557 7.911 -4.331 1.00 0.00 H new ATOM 0 HB THR A 85 -6.273 10.036 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.363 9.944 -2.111 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.360 10.325 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.105 9.500 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.444 8.565 -4.710 1.00 0.00 H new ATOM 1243 N SER A 86 -3.979 8.520 -2.378 1.00 0.00 N ATOM 1244 CA SER A 86 -2.980 8.562 -1.316 1.00 0.00 C ATOM 1245 C SER A 86 -2.040 9.749 -1.491 1.00 0.00 C ATOM 1246 O SER A 86 -1.453 9.941 -2.557 1.00 0.00 O ATOM 1247 CB SER A 86 -2.177 7.261 -1.290 1.00 0.00 C ATOM 1248 OG SER A 86 -1.499 7.053 -2.517 1.00 0.00 O ATOM 0 H SER A 86 -3.712 9.010 -3.232 1.00 0.00 H new ATOM 0 HA SER A 86 -3.505 8.678 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.456 7.292 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.845 6.422 -1.094 1.00 0.00 H new ATOM 0 HG SER A 86 -1.870 7.649 -3.201 1.00 0.00 H new ATOM 1254 N THR A 87 -1.900 10.539 -0.432 1.00 0.00 N ATOM 1255 CA THR A 87 -1.032 11.709 -0.452 1.00 0.00 C ATOM 1256 C THR A 87 0.223 11.467 0.381 1.00 0.00 C ATOM 1257 O THR A 87 0.676 12.350 1.111 1.00 0.00 O ATOM 1258 CB THR A 87 -1.763 12.953 0.086 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.093 12.768 1.467 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.033 13.219 -0.709 1.00 0.00 C ATOM 0 H THR A 87 -2.380 10.388 0.455 1.00 0.00 H new ATOM 0 HA THR A 87 -0.749 11.885 -1.490 1.00 0.00 H new ATOM 0 HB THR A 87 -1.099 13.811 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.556 13.564 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.533 14.102 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.779 13.386 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.698 12.359 -0.630 1.00 0.00 H new ATOM 1268 N VAL A 88 0.775 10.261 0.272 1.00 0.00 N ATOM 1269 CA VAL A 88 1.974 9.893 1.020 1.00 0.00 C ATOM 1270 C VAL A 88 2.825 8.892 0.247 1.00 0.00 C ATOM 1271 O VAL A 88 2.306 8.081 -0.521 1.00 0.00 O ATOM 1272 CB VAL A 88 1.621 9.284 2.394 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.949 10.315 3.287 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.733 8.060 2.223 1.00 0.00 C ATOM 0 H VAL A 88 0.410 9.521 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 88 2.540 10.813 1.169 1.00 0.00 H new ATOM 0 HB VAL A 88 2.547 8.972 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.710 9.862 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.623 11.158 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.032 10.665 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.494 7.644 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.188 8.347 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.256 7.311 1.628 1.00 0.00 H new ATOM 1284 N SER A 89 4.135 8.958 0.456 1.00 0.00 N ATOM 1285 CA SER A 89 5.064 8.058 -0.216 1.00 0.00 C ATOM 1286 C SER A 89 6.165 7.610 0.738 1.00 0.00 C ATOM 1287 O SER A 89 6.700 8.411 1.505 1.00 0.00 O ATOM 1288 CB SER A 89 5.684 8.740 -1.436 1.00 0.00 C ATOM 1289 OG SER A 89 6.598 7.879 -2.091 1.00 0.00 O ATOM 0 H SER A 89 4.578 9.626 1.086 1.00 0.00 H new ATOM 0 HA SER A 89 4.505 7.182 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.897 9.036 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.196 9.651 -1.126 1.00 0.00 H new ATOM 0 HG SER A 89 6.991 8.343 -2.859 1.00 0.00 H new ATOM 1295 N PHE A 90 6.494 6.325 0.687 1.00 0.00 N ATOM 1296 CA PHE A 90 7.525 5.761 1.548 1.00 0.00 C ATOM 1297 C PHE A 90 8.912 5.944 0.938 1.00 0.00 C ATOM 1298 O PHE A 90 9.138 5.608 -0.225 1.00 0.00 O ATOM 1299 CB PHE A 90 7.257 4.273 1.775 1.00 0.00 C ATOM 1300 CG PHE A 90 8.297 3.592 2.615 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.476 3.942 3.944 1.00 0.00 C ATOM 1302 CD2 PHE A 90 9.100 2.604 2.073 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.435 3.314 4.715 1.00 0.00 C ATOM 1304 CE2 PHE A 90 10.060 1.974 2.837 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.228 2.329 4.161 1.00 0.00 C ATOM 0 H PHE A 90 6.060 5.652 0.056 1.00 0.00 H new ATOM 0 HA PHE A 90 7.496 6.289 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.284 4.157 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.199 3.772 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.860 4.713 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.973 2.322 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.564 3.593 5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.679 1.204 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.978 1.837 4.762 1.00 0.00 H new ATOM 1315 N LYS A 91 9.842 6.465 1.734 1.00 0.00 N ATOM 1316 CA LYS A 91 11.209 6.676 1.272 1.00 0.00 C ATOM 1317 C LYS A 91 11.976 5.358 1.262 1.00 0.00 C ATOM 1318 O LYS A 91 12.051 4.667 2.278 1.00 0.00 O ATOM 1319 CB LYS A 91 11.925 7.690 2.167 1.00 0.00 C ATOM 1320 CG LYS A 91 13.350 7.990 1.733 1.00 0.00 C ATOM 1321 CD LYS A 91 14.032 8.957 2.688 1.00 0.00 C ATOM 1322 CE LYS A 91 15.462 9.247 2.262 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.522 9.892 0.922 1.00 0.00 N ATOM 0 H LYS A 91 9.674 6.748 2.699 1.00 0.00 H new ATOM 0 HA LYS A 91 11.171 7.069 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.355 8.619 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.938 7.313 3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.920 7.062 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.344 8.413 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.468 9.889 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.029 8.539 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.936 9.896 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.031 8.317 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.482 10.256 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.284 9.193 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.842 10.678 0.884 1.00 0.00 H new ATOM 1337 N LEU A 92 12.546 5.014 0.111 1.00 0.00 N ATOM 1338 CA LEU A 92 13.306 3.777 -0.021 1.00 0.00 C ATOM 1339 C LEU A 92 14.789 4.010 0.251 1.00 0.00 C ATOM 1340 O LEU A 92 15.421 4.852 -0.388 1.00 0.00 O ATOM 1341 CB LEU A 92 13.122 3.186 -1.420 1.00 0.00 C ATOM 1342 CG LEU A 92 11.682 2.822 -1.791 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.619 2.285 -3.212 1.00 0.00 C ATOM 1344 CD2 LEU A 92 11.121 1.804 -0.809 1.00 0.00 C ATOM 0 H LEU A 92 12.496 5.573 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 92 12.927 3.072 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.499 3.901 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.739 2.291 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 92 11.072 3.724 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.588 2.031 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.982 3.045 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.241 1.394 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.097 1.556 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.732 0.901 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.132 2.224 0.197 1.00 0.00 H new ATOM 1356 N LEU A 93 15.337 3.254 1.195 1.00 0.00 N ATOM 1357 CA LEU A 93 16.747 3.373 1.544 1.00 0.00 C ATOM 1358 C LEU A 93 17.595 2.439 0.684 1.00 0.00 C ATOM 1359 O LEU A 93 17.244 1.277 0.484 1.00 0.00 O ATOM 1360 CB LEU A 93 16.959 3.060 3.028 1.00 0.00 C ATOM 1361 CG LEU A 93 16.165 3.941 3.998 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.479 3.564 5.437 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.463 5.413 3.755 1.00 0.00 C ATOM 0 H LEU A 93 14.827 2.553 1.732 1.00 0.00 H new ATOM 0 HA LEU A 93 17.060 4.400 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.691 2.018 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 93 18.020 3.160 3.256 1.00 0.00 H new ATOM 0 HG LEU A 93 15.103 3.774 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.907 4.199 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.212 2.521 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.544 3.701 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.889 6.021 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.527 5.598 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.187 5.676 2.734 1.00 0.00 H new ATOM 1375 N LYS A 94 18.708 2.957 0.179 1.00 0.00 N ATOM 1376 CA LYS A 94 19.606 2.170 -0.660 1.00 0.00 C ATOM 1377 C LYS A 94 20.215 1.011 0.125 1.00 0.00 C ATOM 1378 O LYS A 94 20.692 1.196 1.244 1.00 0.00 O ATOM 1379 CB LYS A 94 20.720 3.054 -1.224 1.00 0.00 C ATOM 1380 CG LYS A 94 20.217 4.189 -2.103 1.00 0.00 C ATOM 1381 CD LYS A 94 21.364 5.001 -2.686 1.00 0.00 C ATOM 1382 CE LYS A 94 22.187 5.677 -1.600 1.00 0.00 C ATOM 1383 NZ LYS A 94 23.318 6.460 -2.169 1.00 0.00 N ATOM 0 H LYS A 94 19.011 3.918 0.335 1.00 0.00 H new ATOM 0 HA LYS A 94 19.021 1.761 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.292 3.474 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.405 2.434 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.612 3.781 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.569 4.842 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.007 4.349 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.967 5.756 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.546 6.337 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.575 4.923 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.855 6.905 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.944 5.826 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.946 7.197 -2.802 1.00 0.00 H new ATOM 1397 N PRO A 95 20.210 -0.206 -0.452 1.00 0.00 N ATOM 1398 CA PRO A 95 20.768 -1.393 0.205 1.00 0.00 C ATOM 1399 C PRO A 95 22.249 -1.233 0.519 1.00 0.00 C ATOM 1400 O PRO A 95 23.037 -0.856 -0.348 1.00 0.00 O ATOM 1401 CB PRO A 95 20.572 -2.508 -0.827 1.00 0.00 C ATOM 1402 CG PRO A 95 19.493 -2.016 -1.727 1.00 0.00 C ATOM 1403 CD PRO A 95 19.662 -0.525 -1.783 1.00 0.00 C ATOM 0 HA PRO A 95 20.283 -1.588 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.491 -2.699 -1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.289 -3.445 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.579 -2.458 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.509 -2.285 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.340 -0.225 -2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.714 -0.017 -1.962 1.00 0.00 H new