USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 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 58 SER OG : rot 14:sc= -2.52 USER MOD Set 1.2: A 113 ASN : amide:sc= -5.85 K(o=-8.4,f=-16!) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.524 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -6.41! C(o=-5.9!,f=-15!) USER MOD Set 3.1: A 69 MET CE :methyl -142:sc= -12.2! (180deg=-18.1!) USER MOD Set 3.2: A 89 GLN :FLIP amide:sc= -10.2! C(o=-25!,f=-22!) USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0.132 USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -13:sc= 0.783 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 32:sc= 0.723 USER MOD Single : A 19 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 23 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.023) USER MOD Single : A 27 ASN : amide:sc= -4.32! C(o=-4.3!,f=-4.9!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 90:sc= -0.178 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 50:sc= 0.275 USER MOD Single : A 50 TYR OH : rot 50:sc= -1.21 USER MOD Single : A 53 ASN : amide:sc=-0.00137 K(o=-0.0014,f=-0.72) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -67:sc= 0.487 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 38:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= -0.425 (180deg=-1.58!) USER MOD Single : A 65 ASN : amide:sc= -5.37 K(o=-5.4,f=-13!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 103:sc= 0.801 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 89:sc= 0.65 USER MOD Single : A 90 THR OG1 : rot 42:sc= 0.0278 USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= -1.45 (180deg=-4.1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 97 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -152:sc= -5.64! (180deg=-8.25!) USER MOD Single : A 115 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-0.91) USER MOD Single : A 116 SER OG : rot 176:sc= -4.19! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 2.684 -11.534 -2.473 1.00 0.00 N ATOM 2 CA SER A 8 2.624 -10.079 -2.420 1.00 0.00 C ATOM 3 C SER A 8 1.401 -9.577 -3.178 1.00 0.00 C ATOM 4 O SER A 8 1.277 -9.790 -4.383 1.00 0.00 O ATOM 5 CB SER A 8 3.896 -9.469 -3.014 1.00 0.00 C ATOM 6 OG SER A 8 4.563 -10.397 -3.852 1.00 0.00 O ATOM 0 HA SER A 8 2.545 -9.773 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.642 -8.576 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.562 -9.155 -2.210 1.00 0.00 H new ATOM 0 HG SER A 8 4.191 -11.293 -3.709 1.00 0.00 H new ATOM 12 N TRP A 9 0.496 -8.921 -2.464 1.00 0.00 N ATOM 13 CA TRP A 9 -0.722 -8.405 -3.077 1.00 0.00 C ATOM 14 C TRP A 9 -0.651 -6.896 -3.274 1.00 0.00 C ATOM 15 O TRP A 9 -0.802 -6.131 -2.322 1.00 0.00 O ATOM 16 CB TRP A 9 -1.938 -8.756 -2.215 1.00 0.00 C ATOM 17 CG TRP A 9 -2.086 -10.224 -1.960 1.00 0.00 C ATOM 18 CD1 TRP A 9 -2.936 -11.085 -2.594 1.00 0.00 C ATOM 19 CD2 TRP A 9 -1.368 -11.006 -0.999 1.00 0.00 C ATOM 20 NE1 TRP A 9 -2.786 -12.353 -2.090 1.00 0.00 N ATOM 21 CE2 TRP A 9 -1.830 -12.331 -1.109 1.00 0.00 C ATOM 22 CE3 TRP A 9 -0.378 -10.715 -0.057 1.00 0.00 C ATOM 23 CZ2 TRP A 9 -1.336 -13.361 -0.313 1.00 0.00 C ATOM 24 CZ3 TRP A 9 0.112 -11.737 0.732 1.00 0.00 C ATOM 25 CH2 TRP A 9 -0.367 -13.047 0.600 1.00 0.00 C ATOM 0 H TRP A 9 0.581 -8.734 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.823 -8.872 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -1.859 -8.236 -1.260 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -2.839 -8.388 -2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.626 -10.808 -3.378 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -3.302 -13.178 -2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.002 -9.708 0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -1.705 -14.371 -0.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.877 -11.523 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.037 -13.824 1.232 1.00 0.00 H new ATOM 36 N THR A 10 -0.442 -6.474 -4.520 1.00 0.00 N ATOM 37 CA THR A 10 -0.378 -5.054 -4.843 1.00 0.00 C ATOM 38 C THR A 10 -1.711 -4.582 -5.394 1.00 0.00 C ATOM 39 O THR A 10 -2.005 -4.761 -6.577 1.00 0.00 O ATOM 40 CB THR A 10 0.715 -4.757 -5.868 1.00 0.00 C ATOM 41 OG1 THR A 10 1.747 -5.725 -5.804 1.00 0.00 O ATOM 42 CG2 THR A 10 1.342 -3.393 -5.684 1.00 0.00 C ATOM 0 H THR A 10 -0.315 -7.095 -5.319 1.00 0.00 H new ATOM 0 HA THR A 10 -0.143 -4.522 -3.921 1.00 0.00 H new ATOM 0 HB THR A 10 0.220 -4.785 -6.839 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.434 -5.515 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.111 -3.241 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.576 -2.624 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.792 -3.330 -4.693 1.00 0.00 H new ATOM 50 N TYR A 11 -2.512 -3.975 -4.539 1.00 0.00 N ATOM 51 CA TYR A 11 -3.810 -3.472 -4.952 1.00 0.00 C ATOM 52 C TYR A 11 -3.649 -2.127 -5.647 1.00 0.00 C ATOM 53 O TYR A 11 -3.581 -1.086 -4.997 1.00 0.00 O ATOM 54 CB TYR A 11 -4.753 -3.335 -3.752 1.00 0.00 C ATOM 55 CG TYR A 11 -4.285 -4.049 -2.502 1.00 0.00 C ATOM 56 CD1 TYR A 11 -4.528 -5.404 -2.316 1.00 0.00 C ATOM 57 CD2 TYR A 11 -3.597 -3.363 -1.511 1.00 0.00 C ATOM 58 CE1 TYR A 11 -4.098 -6.055 -1.175 1.00 0.00 C ATOM 59 CE2 TYR A 11 -3.164 -4.006 -0.368 1.00 0.00 C ATOM 60 CZ TYR A 11 -3.416 -5.351 -0.204 1.00 0.00 C ATOM 61 OH TYR A 11 -2.986 -5.994 0.934 1.00 0.00 O ATOM 0 H TYR A 11 -2.288 -3.818 -3.556 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.248 -4.186 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.880 -2.277 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.734 -3.721 -4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.061 -5.957 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.397 -2.309 -1.636 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.295 -7.109 -1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.630 -3.457 0.394 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.522 -5.356 1.515 1.00 0.00 H new ATOM 71 N THR A 12 -3.571 -2.156 -6.973 1.00 0.00 N ATOM 72 CA THR A 12 -3.402 -0.933 -7.752 1.00 0.00 C ATOM 73 C THR A 12 -4.459 0.103 -7.372 1.00 0.00 C ATOM 74 O THR A 12 -5.533 -0.244 -6.881 1.00 0.00 O ATOM 75 CB THR A 12 -3.475 -1.234 -9.252 1.00 0.00 C ATOM 76 OG1 THR A 12 -3.907 -2.567 -9.480 1.00 0.00 O ATOM 77 CG2 THR A 12 -2.152 -1.050 -9.964 1.00 0.00 C ATOM 0 H THR A 12 -3.622 -3.009 -7.530 1.00 0.00 H new ATOM 0 HA THR A 12 -2.418 -0.523 -7.525 1.00 0.00 H new ATOM 0 HB THR A 12 -4.189 -0.516 -9.655 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.948 -2.737 -10.444 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.274 -1.279 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.819 -0.018 -9.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.409 -1.720 -9.531 1.00 0.00 H new ATOM 85 N ALA A 13 -4.147 1.376 -7.597 1.00 0.00 N ATOM 86 CA ALA A 13 -5.070 2.461 -7.271 1.00 0.00 C ATOM 87 C ALA A 13 -6.253 2.501 -8.234 1.00 0.00 C ATOM 88 O ALA A 13 -7.292 3.086 -7.925 1.00 0.00 O ATOM 89 CB ALA A 13 -4.338 3.794 -7.276 1.00 0.00 C ATOM 0 H ALA A 13 -3.263 1.682 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.464 2.274 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.037 4.594 -7.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.538 3.773 -6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.914 3.972 -8.264 1.00 0.00 H new ATOM 95 N ALA A 14 -6.097 1.878 -9.397 1.00 0.00 N ATOM 96 CA ALA A 14 -7.161 1.851 -10.392 1.00 0.00 C ATOM 97 C ALA A 14 -8.328 0.977 -9.934 1.00 0.00 C ATOM 98 O ALA A 14 -9.414 1.026 -10.512 1.00 0.00 O ATOM 99 CB ALA A 14 -6.624 1.363 -11.728 1.00 0.00 C ATOM 0 H ALA A 14 -5.247 1.387 -9.673 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.533 2.868 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.431 1.348 -12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.835 2.033 -12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.221 0.357 -11.612 1.00 0.00 H new ATOM 105 N SER A 15 -8.100 0.182 -8.893 1.00 0.00 N ATOM 106 CA SER A 15 -9.136 -0.697 -8.361 1.00 0.00 C ATOM 107 C SER A 15 -9.719 -0.134 -7.067 1.00 0.00 C ATOM 108 O SER A 15 -10.851 -0.447 -6.699 1.00 0.00 O ATOM 109 CB SER A 15 -8.569 -2.096 -8.111 1.00 0.00 C ATOM 110 OG SER A 15 -7.522 -2.392 -9.019 1.00 0.00 O ATOM 0 H SER A 15 -7.208 0.128 -8.401 1.00 0.00 H new ATOM 0 HA SER A 15 -9.935 -0.762 -9.100 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.198 -2.164 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.362 -2.837 -8.212 1.00 0.00 H new ATOM 0 HG SER A 15 -7.176 -3.291 -8.837 1.00 0.00 H new ATOM 116 N ALA A 16 -8.940 0.698 -6.381 1.00 0.00 N ATOM 117 CA ALA A 16 -9.382 1.301 -5.129 1.00 0.00 C ATOM 118 C ALA A 16 -10.299 2.493 -5.386 1.00 0.00 C ATOM 119 O ALA A 16 -10.633 2.797 -6.532 1.00 0.00 O ATOM 120 CB ALA A 16 -8.182 1.726 -4.294 1.00 0.00 C ATOM 0 H ALA A 16 -8.001 0.969 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.949 0.553 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.527 2.174 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.567 0.854 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.591 2.454 -4.850 1.00 0.00 H new ATOM 126 N SER A 17 -10.701 3.164 -4.313 1.00 0.00 N ATOM 127 CA SER A 17 -11.578 4.323 -4.421 1.00 0.00 C ATOM 128 C SER A 17 -10.815 5.612 -4.129 1.00 0.00 C ATOM 129 O SER A 17 -10.359 5.834 -3.007 1.00 0.00 O ATOM 130 CB SER A 17 -12.758 4.187 -3.456 1.00 0.00 C ATOM 131 OG SER A 17 -12.320 4.215 -2.109 1.00 0.00 O ATOM 0 H SER A 17 -10.433 2.925 -3.358 1.00 0.00 H new ATOM 0 HA SER A 17 -11.955 4.368 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.468 4.996 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.286 3.253 -3.651 1.00 0.00 H new ATOM 0 HG SER A 17 -11.531 4.791 -2.034 1.00 0.00 H new ATOM 137 N ILE A 18 -10.684 6.457 -5.147 1.00 0.00 N ATOM 138 CA ILE A 18 -9.980 7.725 -4.998 1.00 0.00 C ATOM 139 C ILE A 18 -10.916 8.808 -4.467 1.00 0.00 C ATOM 140 O ILE A 18 -11.869 9.203 -5.138 1.00 0.00 O ATOM 141 CB ILE A 18 -9.365 8.196 -6.337 1.00 0.00 C ATOM 142 CG1 ILE A 18 -8.757 7.021 -7.119 1.00 0.00 C ATOM 143 CG2 ILE A 18 -8.314 9.262 -6.081 1.00 0.00 C ATOM 144 CD1 ILE A 18 -7.917 6.080 -6.277 1.00 0.00 C ATOM 0 H ILE A 18 -11.055 6.287 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.174 7.559 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.164 8.621 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.563 6.453 -7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.140 7.417 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.887 9.587 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.774 10.113 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.526 8.852 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.526 5.280 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.088 6.631 -5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.533 5.652 -5.486 1.00 0.00 H new ATOM 156 N THR A 19 -10.641 9.278 -3.252 1.00 0.00 N ATOM 157 CA THR A 19 -11.464 10.309 -2.622 1.00 0.00 C ATOM 158 C THR A 19 -10.865 11.700 -2.826 1.00 0.00 C ATOM 159 O THR A 19 -9.773 11.989 -2.341 1.00 0.00 O ATOM 160 CB THR A 19 -11.612 10.024 -1.127 1.00 0.00 C ATOM 161 OG1 THR A 19 -11.596 8.630 -0.877 1.00 0.00 O ATOM 162 CG2 THR A 19 -12.887 10.583 -0.535 1.00 0.00 C ATOM 0 H THR A 19 -9.855 8.962 -2.684 1.00 0.00 H new ATOM 0 HA THR A 19 -12.446 10.288 -3.095 1.00 0.00 H new ATOM 0 HB THR A 19 -10.764 10.519 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.672 8.304 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.929 10.346 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.905 11.665 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.746 10.142 -1.040 1.00 0.00 H new ATOM 170 N ALA A 20 -11.591 12.560 -3.541 1.00 0.00 N ATOM 171 CA ALA A 20 -11.128 13.923 -3.803 1.00 0.00 C ATOM 172 C ALA A 20 -10.611 14.584 -2.521 1.00 0.00 C ATOM 173 O ALA A 20 -11.058 14.247 -1.424 1.00 0.00 O ATOM 174 CB ALA A 20 -12.252 14.751 -4.408 1.00 0.00 C ATOM 0 H ALA A 20 -12.499 12.338 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.303 13.872 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.896 15.763 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.574 14.297 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.092 14.786 -3.714 1.00 0.00 H new ATOM 180 N PRO A 21 -9.654 15.532 -2.631 1.00 0.00 N ATOM 181 CA PRO A 21 -9.079 15.979 -3.912 1.00 0.00 C ATOM 182 C PRO A 21 -8.256 14.905 -4.614 1.00 0.00 C ATOM 183 O PRO A 21 -7.668 15.156 -5.666 1.00 0.00 O ATOM 184 CB PRO A 21 -8.169 17.141 -3.503 1.00 0.00 C ATOM 185 CG PRO A 21 -7.816 16.849 -2.088 1.00 0.00 C ATOM 186 CD PRO A 21 -9.058 16.254 -1.493 1.00 0.00 C ATOM 0 HA PRO A 21 -9.862 16.241 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.281 17.191 -4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.681 18.099 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.977 16.156 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.520 17.755 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.828 15.584 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.728 17.021 -1.106 1.00 0.00 H new ATOM 194 N ALA A 22 -8.214 13.707 -4.039 1.00 0.00 N ATOM 195 CA ALA A 22 -7.460 12.620 -4.633 1.00 0.00 C ATOM 196 C ALA A 22 -7.971 12.305 -6.032 1.00 0.00 C ATOM 197 O ALA A 22 -9.176 12.313 -6.284 1.00 0.00 O ATOM 198 CB ALA A 22 -7.519 11.379 -3.753 1.00 0.00 C ATOM 0 H ALA A 22 -8.691 13.470 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.420 12.937 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.947 10.576 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.096 11.606 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.556 11.065 -3.636 1.00 0.00 H new ATOM 204 N GLN A 23 -7.042 12.035 -6.933 1.00 0.00 N ATOM 205 CA GLN A 23 -7.376 11.719 -8.315 1.00 0.00 C ATOM 206 C GLN A 23 -6.538 10.550 -8.821 1.00 0.00 C ATOM 207 O GLN A 23 -5.387 10.378 -8.420 1.00 0.00 O ATOM 208 CB GLN A 23 -7.160 12.941 -9.209 1.00 0.00 C ATOM 209 CG GLN A 23 -8.116 13.011 -10.388 1.00 0.00 C ATOM 210 CD GLN A 23 -7.464 12.599 -11.693 1.00 0.00 C ATOM 211 OE1 GLN A 23 -7.953 11.710 -12.390 1.00 0.00 O ATOM 212 NE2 GLN A 23 -6.353 13.243 -12.028 1.00 0.00 N ATOM 0 H GLN A 23 -6.042 12.028 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.427 11.434 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.271 13.844 -8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.136 12.931 -9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.973 12.366 -10.195 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.497 14.028 -10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.984 13.973 -11.419 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.868 13.008 -12.894 1.00 0.00 H new ATOM 221 N LEU A 24 -7.126 9.748 -9.700 1.00 0.00 N ATOM 222 CA LEU A 24 -6.439 8.592 -10.259 1.00 0.00 C ATOM 223 C LEU A 24 -5.717 8.964 -11.551 1.00 0.00 C ATOM 224 O LEU A 24 -6.334 9.073 -12.610 1.00 0.00 O ATOM 225 CB LEU A 24 -7.444 7.464 -10.515 1.00 0.00 C ATOM 226 CG LEU A 24 -6.925 6.043 -10.276 1.00 0.00 C ATOM 227 CD1 LEU A 24 -6.101 5.570 -11.463 1.00 0.00 C ATOM 228 CD2 LEU A 24 -6.108 5.967 -8.990 1.00 0.00 C ATOM 0 H LEU A 24 -8.078 9.878 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.694 8.249 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.313 7.625 -9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.788 7.536 -11.547 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.785 5.383 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.740 4.559 -11.276 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.720 5.574 -12.360 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.251 6.238 -11.605 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.752 4.947 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.255 6.642 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.732 6.257 -8.145 1.00 0.00 H new ATOM 240 N VAL A 25 -4.406 9.164 -11.451 1.00 0.00 N ATOM 241 CA VAL A 25 -3.599 9.532 -12.612 1.00 0.00 C ATOM 242 C VAL A 25 -2.845 8.330 -13.186 1.00 0.00 C ATOM 243 O VAL A 25 -1.791 7.943 -12.684 1.00 0.00 O ATOM 244 CB VAL A 25 -2.589 10.657 -12.275 1.00 0.00 C ATOM 245 CG1 VAL A 25 -3.312 11.888 -11.751 1.00 0.00 C ATOM 246 CG2 VAL A 25 -1.543 10.184 -11.271 1.00 0.00 C ATOM 0 H VAL A 25 -3.880 9.078 -10.581 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.298 9.899 -13.364 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.071 10.923 -13.196 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.585 12.666 -11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.006 12.253 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.865 11.629 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.850 10.998 -11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.037 9.875 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.994 9.340 -11.688 1.00 0.00 H new ATOM 256 N GLY A 26 -3.394 7.743 -14.246 1.00 0.00 N ATOM 257 CA GLY A 26 -2.759 6.599 -14.873 1.00 0.00 C ATOM 258 C GLY A 26 -2.619 5.430 -13.924 1.00 0.00 C ATOM 259 O GLY A 26 -1.510 4.979 -13.638 1.00 0.00 O ATOM 0 H GLY A 26 -4.267 8.040 -14.681 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.343 6.292 -15.741 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.773 6.888 -15.238 1.00 0.00 H new ATOM 263 N ASN A 27 -3.749 4.943 -13.432 1.00 0.00 N ATOM 264 CA ASN A 27 -3.759 3.824 -12.503 1.00 0.00 C ATOM 265 C ASN A 27 -2.936 4.143 -11.257 1.00 0.00 C ATOM 266 O ASN A 27 -2.486 3.241 -10.550 1.00 0.00 O ATOM 267 CB ASN A 27 -3.218 2.564 -13.182 1.00 0.00 C ATOM 268 CG ASN A 27 -4.324 1.635 -13.642 1.00 0.00 C ATOM 269 OD1 ASN A 27 -4.337 0.451 -13.302 1.00 0.00 O ATOM 270 ND2 ASN A 27 -5.260 2.167 -14.418 1.00 0.00 N ATOM 0 H ASN A 27 -4.674 5.307 -13.662 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.790 3.646 -12.197 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.608 2.850 -14.039 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.566 2.033 -12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.030 1.590 -14.757 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.210 3.153 -14.675 1.00 0.00 H new ATOM 277 N VAL A 28 -2.740 5.434 -10.993 1.00 0.00 N ATOM 278 CA VAL A 28 -1.971 5.870 -9.835 1.00 0.00 C ATOM 279 C VAL A 28 -2.754 6.884 -9.009 1.00 0.00 C ATOM 280 O VAL A 28 -3.091 7.963 -9.492 1.00 0.00 O ATOM 281 CB VAL A 28 -0.629 6.499 -10.259 1.00 0.00 C ATOM 282 CG1 VAL A 28 0.225 6.820 -9.042 1.00 0.00 C ATOM 283 CG2 VAL A 28 0.115 5.579 -11.216 1.00 0.00 C ATOM 0 H VAL A 28 -3.104 6.194 -11.567 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.775 4.984 -9.231 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.839 7.434 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.167 7.263 -9.365 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.306 7.524 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.426 5.904 -8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.060 6.040 -11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.311 4.626 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.492 5.411 -12.105 1.00 0.00 H new ATOM 293 N GLY A 29 -3.032 6.537 -7.758 1.00 0.00 N ATOM 294 CA GLY A 29 -3.762 7.435 -6.890 1.00 0.00 C ATOM 295 C GLY A 29 -2.967 8.680 -6.557 1.00 0.00 C ATOM 296 O GLY A 29 -1.739 8.647 -6.509 1.00 0.00 O ATOM 0 H GLY A 29 -2.764 5.650 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.698 7.721 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.023 6.915 -5.968 1.00 0.00 H new ATOM 300 N GLU A 30 -3.670 9.781 -6.331 1.00 0.00 N ATOM 301 CA GLU A 30 -3.029 11.048 -6.002 1.00 0.00 C ATOM 302 C GLU A 30 -3.819 11.776 -4.927 1.00 0.00 C ATOM 303 O GLU A 30 -4.999 11.509 -4.737 1.00 0.00 O ATOM 304 CB GLU A 30 -2.915 11.930 -7.245 1.00 0.00 C ATOM 305 CG GLU A 30 -1.916 11.417 -8.266 1.00 0.00 C ATOM 306 CD GLU A 30 -0.786 12.396 -8.523 1.00 0.00 C ATOM 307 OE1 GLU A 30 0.025 12.621 -7.600 1.00 0.00 O ATOM 308 OE2 GLU A 30 -0.714 12.939 -9.645 1.00 0.00 O ATOM 0 H GLU A 30 -4.688 9.823 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.028 10.837 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.895 12.008 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.626 12.936 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.500 10.472 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.433 11.212 -9.203 1.00 0.00 H new ATOM 315 N LEU A 31 -3.164 12.691 -4.226 1.00 0.00 N ATOM 316 CA LEU A 31 -3.823 13.455 -3.174 1.00 0.00 C ATOM 317 C LEU A 31 -3.271 14.877 -3.127 1.00 0.00 C ATOM 318 O LEU A 31 -2.128 15.119 -3.515 1.00 0.00 O ATOM 319 CB LEU A 31 -3.655 12.781 -1.806 1.00 0.00 C ATOM 320 CG LEU A 31 -2.869 11.460 -1.805 1.00 0.00 C ATOM 321 CD1 LEU A 31 -1.796 11.468 -0.732 1.00 0.00 C ATOM 322 CD2 LEU A 31 -3.798 10.275 -1.603 1.00 0.00 C ATOM 0 H LEU A 31 -2.180 12.922 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.888 13.491 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.155 13.480 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.645 12.594 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.387 11.362 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.254 10.522 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.102 12.288 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.260 11.600 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.217 9.353 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.314 10.376 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.531 10.245 -2.410 1.00 0.00 H new ATOM 334 N GLN A 32 -4.086 15.813 -2.653 1.00 0.00 N ATOM 335 CA GLN A 32 -3.669 17.209 -2.563 1.00 0.00 C ATOM 336 C GLN A 32 -4.388 17.924 -1.425 1.00 0.00 C ATOM 337 O GLN A 32 -5.479 18.464 -1.606 1.00 0.00 O ATOM 338 CB GLN A 32 -3.937 17.929 -3.887 1.00 0.00 C ATOM 339 CG GLN A 32 -2.717 18.014 -4.789 1.00 0.00 C ATOM 340 CD GLN A 32 -2.920 18.963 -5.954 1.00 0.00 C ATOM 341 OE1 GLN A 32 -3.346 18.556 -7.035 1.00 0.00 O ATOM 342 NE2 GLN A 32 -2.613 20.238 -5.741 1.00 0.00 N ATOM 0 H GLN A 32 -5.035 15.632 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.599 17.228 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.736 17.411 -4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.295 18.937 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.858 18.342 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.482 17.021 -5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.263 20.533 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.728 20.922 -6.489 1.00 0.00 H new ATOM 351 N GLY A 33 -3.767 17.925 -0.251 1.00 0.00 N ATOM 352 CA GLY A 33 -4.359 18.575 0.900 1.00 0.00 C ATOM 353 C GLY A 33 -5.181 17.621 1.742 1.00 0.00 C ATOM 354 O GLY A 33 -5.195 16.416 1.492 1.00 0.00 O ATOM 0 H GLY A 33 -2.863 17.486 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.570 19.010 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.992 19.397 0.564 1.00 0.00 H new ATOM 358 N ALA A 34 -5.868 18.160 2.742 1.00 0.00 N ATOM 359 CA ALA A 34 -6.696 17.346 3.622 1.00 0.00 C ATOM 360 C ALA A 34 -8.022 16.993 2.957 1.00 0.00 C ATOM 361 O ALA A 34 -8.566 17.780 2.182 1.00 0.00 O ATOM 362 CB ALA A 34 -6.939 18.073 4.937 1.00 0.00 C ATOM 0 H ALA A 34 -5.868 19.156 2.963 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.164 16.417 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.559 17.454 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.985 18.269 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.447 19.017 4.742 1.00 0.00 H new ATOM 368 N GLY A 35 -8.540 15.809 3.267 1.00 0.00 N ATOM 369 CA GLY A 35 -9.801 15.379 2.691 1.00 0.00 C ATOM 370 C GLY A 35 -9.633 14.312 1.626 1.00 0.00 C ATOM 371 O GLY A 35 -10.554 13.536 1.371 1.00 0.00 O ATOM 0 H GLY A 35 -8.110 15.140 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.444 14.996 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.309 16.241 2.257 1.00 0.00 H new ATOM 375 N SER A 36 -8.460 14.267 1.000 1.00 0.00 N ATOM 376 CA SER A 36 -8.193 13.279 -0.041 1.00 0.00 C ATOM 377 C SER A 36 -7.791 11.950 0.579 1.00 0.00 C ATOM 378 O SER A 36 -7.235 11.914 1.677 1.00 0.00 O ATOM 379 CB SER A 36 -7.096 13.770 -0.990 1.00 0.00 C ATOM 380 OG SER A 36 -6.187 14.633 -0.329 1.00 0.00 O ATOM 0 H SER A 36 -7.683 14.899 1.194 1.00 0.00 H new ATOM 0 HA SER A 36 -9.108 13.137 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.557 12.915 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.549 14.293 -1.832 1.00 0.00 H new ATOM 0 HG SER A 36 -5.455 14.106 0.054 1.00 0.00 H new ATOM 386 N ALA A 37 -8.080 10.853 -0.115 1.00 0.00 N ATOM 387 CA ALA A 37 -7.743 9.536 0.407 1.00 0.00 C ATOM 388 C ALA A 37 -7.929 8.428 -0.625 1.00 0.00 C ATOM 389 O ALA A 37 -8.966 8.338 -1.283 1.00 0.00 O ATOM 390 CB ALA A 37 -8.587 9.242 1.635 1.00 0.00 C ATOM 0 H ALA A 37 -8.539 10.850 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.685 9.554 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.333 8.256 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.392 9.994 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.643 9.264 1.365 1.00 0.00 H new ATOM 396 N VAL A 38 -6.925 7.562 -0.721 1.00 0.00 N ATOM 397 CA VAL A 38 -6.970 6.419 -1.626 1.00 0.00 C ATOM 398 C VAL A 38 -7.125 5.146 -0.808 1.00 0.00 C ATOM 399 O VAL A 38 -6.135 4.542 -0.395 1.00 0.00 O ATOM 400 CB VAL A 38 -5.692 6.297 -2.481 1.00 0.00 C ATOM 401 CG1 VAL A 38 -5.791 7.128 -3.743 1.00 0.00 C ATOM 402 CG2 VAL A 38 -4.470 6.697 -1.681 1.00 0.00 C ATOM 0 H VAL A 38 -6.064 7.632 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.814 6.567 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.590 5.252 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.874 7.020 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.639 6.787 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.931 8.176 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.581 6.603 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.574 7.730 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.375 6.046 -0.812 1.00 0.00 H new ATOM 412 N ILE A 39 -8.365 4.755 -0.547 1.00 0.00 N ATOM 413 CA ILE A 39 -8.629 3.571 0.256 1.00 0.00 C ATOM 414 C ILE A 39 -8.799 2.323 -0.600 1.00 0.00 C ATOM 415 O ILE A 39 -9.189 2.397 -1.765 1.00 0.00 O ATOM 416 CB ILE A 39 -9.871 3.770 1.141 1.00 0.00 C ATOM 417 CG1 ILE A 39 -9.666 4.994 2.030 1.00 0.00 C ATOM 418 CG2 ILE A 39 -10.138 2.531 1.985 1.00 0.00 C ATOM 419 CD1 ILE A 39 -8.498 4.861 2.985 1.00 0.00 C ATOM 0 H ILE A 39 -9.200 5.238 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.757 3.425 0.893 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.741 3.930 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.511 5.869 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.575 5.172 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.021 2.695 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.306 1.675 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.278 2.335 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.413 5.767 3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.660 4.006 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.579 4.714 2.418 1.00 0.00 H new ATOM 431 N TRP A 40 -8.496 1.175 -0.004 1.00 0.00 N ATOM 432 CA TRP A 40 -8.603 -0.106 -0.690 1.00 0.00 C ATOM 433 C TRP A 40 -9.480 -1.070 0.100 1.00 0.00 C ATOM 434 O TRP A 40 -9.517 -1.025 1.332 1.00 0.00 O ATOM 435 CB TRP A 40 -7.217 -0.719 -0.877 1.00 0.00 C ATOM 436 CG TRP A 40 -6.554 -0.349 -2.169 1.00 0.00 C ATOM 437 CD1 TRP A 40 -6.788 -0.897 -3.397 1.00 0.00 C ATOM 438 CD2 TRP A 40 -5.538 0.642 -2.357 1.00 0.00 C ATOM 439 NE1 TRP A 40 -5.972 -0.314 -4.336 1.00 0.00 N ATOM 440 CE2 TRP A 40 -5.197 0.636 -3.722 1.00 0.00 C ATOM 441 CE3 TRP A 40 -4.883 1.533 -1.503 1.00 0.00 C ATOM 442 CZ2 TRP A 40 -4.227 1.487 -4.250 1.00 0.00 C ATOM 443 CZ3 TRP A 40 -3.923 2.376 -2.031 1.00 0.00 C ATOM 444 CH2 TRP A 40 -3.602 2.348 -3.391 1.00 0.00 C ATOM 0 H TRP A 40 -8.172 1.107 0.961 1.00 0.00 H new ATOM 0 HA TRP A 40 -9.059 0.068 -1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.579 -0.406 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.301 -1.804 -0.822 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.509 -1.675 -3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.947 -0.549 -5.328 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.122 1.563 -0.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.978 1.467 -5.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.411 3.069 -1.380 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.846 3.019 -3.771 1.00 0.00 H new ATOM 455 N ASN A 41 -10.175 -1.949 -0.615 1.00 0.00 N ATOM 456 CA ASN A 41 -11.041 -2.937 0.016 1.00 0.00 C ATOM 457 C ASN A 41 -10.583 -4.350 -0.328 1.00 0.00 C ATOM 458 O ASN A 41 -10.678 -4.781 -1.477 1.00 0.00 O ATOM 459 CB ASN A 41 -12.492 -2.734 -0.430 1.00 0.00 C ATOM 460 CG ASN A 41 -13.268 -1.843 0.518 1.00 0.00 C ATOM 461 OD1 ASN A 41 -13.806 -2.305 1.524 1.00 0.00 O ATOM 462 ND2 ASN A 41 -13.331 -0.554 0.201 1.00 0.00 N ATOM 0 H ASN A 41 -10.155 -1.997 -1.634 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.981 -2.805 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.505 -2.296 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.987 -3.703 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.840 0.095 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.870 -0.213 -0.643 1.00 0.00 H new ATOM 469 N VAL A 42 -10.080 -5.066 0.674 1.00 0.00 N ATOM 470 CA VAL A 42 -9.602 -6.428 0.474 1.00 0.00 C ATOM 471 C VAL A 42 -9.596 -7.208 1.784 1.00 0.00 C ATOM 472 O VAL A 42 -9.965 -6.682 2.834 1.00 0.00 O ATOM 473 CB VAL A 42 -8.181 -6.440 -0.122 1.00 0.00 C ATOM 474 CG1 VAL A 42 -8.197 -5.930 -1.554 1.00 0.00 C ATOM 475 CG2 VAL A 42 -7.236 -5.612 0.736 1.00 0.00 C ATOM 0 H VAL A 42 -9.994 -4.725 1.631 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.288 -6.905 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.820 -7.468 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.184 -5.946 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.839 -6.568 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.579 -4.909 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.237 -5.632 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.592 -4.583 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.201 -6.027 1.743 1.00 0.00 H new ATOM 485 N ASP A 43 -9.173 -8.466 1.715 1.00 0.00 N ATOM 486 CA ASP A 43 -9.117 -9.322 2.895 1.00 0.00 C ATOM 487 C ASP A 43 -7.718 -9.900 3.086 1.00 0.00 C ATOM 488 O ASP A 43 -7.072 -10.319 2.126 1.00 0.00 O ATOM 489 CB ASP A 43 -10.139 -10.454 2.778 1.00 0.00 C ATOM 490 CG ASP A 43 -11.525 -9.949 2.428 1.00 0.00 C ATOM 491 OD1 ASP A 43 -11.899 -8.860 2.913 1.00 0.00 O ATOM 492 OD2 ASP A 43 -12.237 -10.641 1.670 1.00 0.00 O ATOM 0 H ASP A 43 -8.864 -8.916 0.853 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.358 -8.712 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.809 -11.160 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.182 -11.000 3.720 1.00 0.00 H new ATOM 497 N VAL A 44 -7.256 -9.915 4.331 1.00 0.00 N ATOM 498 CA VAL A 44 -5.935 -10.440 4.655 1.00 0.00 C ATOM 499 C VAL A 44 -5.813 -11.909 4.256 1.00 0.00 C ATOM 500 O VAL A 44 -6.742 -12.693 4.452 1.00 0.00 O ATOM 501 CB VAL A 44 -5.636 -10.297 6.162 1.00 0.00 C ATOM 502 CG1 VAL A 44 -4.268 -10.869 6.509 1.00 0.00 C ATOM 503 CG2 VAL A 44 -5.729 -8.840 6.583 1.00 0.00 C ATOM 0 H VAL A 44 -7.779 -9.568 5.135 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.209 -9.856 4.089 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.385 -10.868 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.086 -10.754 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.239 -11.927 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.499 -10.336 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.516 -8.755 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.005 -8.252 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.733 -8.467 6.383 1.00 0.00 H new ATOM 513 N PRO A 45 -4.661 -12.304 3.685 1.00 0.00 N ATOM 514 CA PRO A 45 -4.426 -13.687 3.259 1.00 0.00 C ATOM 515 C PRO A 45 -4.391 -14.664 4.432 1.00 0.00 C ATOM 516 O PRO A 45 -5.139 -15.640 4.456 1.00 0.00 O ATOM 517 CB PRO A 45 -3.060 -13.629 2.567 1.00 0.00 C ATOM 518 CG PRO A 45 -2.399 -12.411 3.113 1.00 0.00 C ATOM 519 CD PRO A 45 -3.502 -11.435 3.408 1.00 0.00 C ATOM 0 HA PRO A 45 -5.227 -14.049 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.473 -14.523 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.169 -13.566 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.834 -12.645 4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.693 -11.995 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.261 -10.802 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.689 -10.772 2.563 1.00 0.00 H new ATOM 527 N VAL A 46 -3.512 -14.406 5.398 1.00 0.00 N ATOM 528 CA VAL A 46 -3.384 -15.276 6.561 1.00 0.00 C ATOM 529 C VAL A 46 -3.120 -14.482 7.836 1.00 0.00 C ATOM 530 O VAL A 46 -3.222 -13.255 7.854 1.00 0.00 O ATOM 531 CB VAL A 46 -2.250 -16.313 6.380 1.00 0.00 C ATOM 532 CG1 VAL A 46 -2.777 -17.708 6.649 1.00 0.00 C ATOM 533 CG2 VAL A 46 -1.631 -16.227 4.988 1.00 0.00 C ATOM 0 H VAL A 46 -2.881 -13.605 5.397 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.337 -15.797 6.653 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.463 -16.087 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.973 -18.432 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.154 -17.764 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.584 -17.933 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.838 -16.969 4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.397 -16.419 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.215 -15.231 4.836 1.00 0.00 H new ATOM 543 N THR A 47 -2.780 -15.203 8.901 1.00 0.00 N ATOM 544 CA THR A 47 -2.499 -14.590 10.193 1.00 0.00 C ATOM 545 C THR A 47 -1.007 -14.640 10.506 1.00 0.00 C ATOM 546 O THR A 47 -0.520 -15.602 11.098 1.00 0.00 O ATOM 547 CB THR A 47 -3.280 -15.306 11.292 1.00 0.00 C ATOM 548 OG1 THR A 47 -3.121 -16.711 11.187 1.00 0.00 O ATOM 549 CG2 THR A 47 -4.761 -15.010 11.261 1.00 0.00 C ATOM 0 H THR A 47 -2.692 -16.219 8.892 1.00 0.00 H new ATOM 0 HA THR A 47 -2.809 -13.546 10.149 1.00 0.00 H new ATOM 0 HB THR A 47 -2.869 -14.931 12.229 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.168 -16.928 11.111 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.257 -15.550 12.068 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.921 -13.939 11.389 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.175 -15.327 10.304 1.00 0.00 H new ATOM 557 N GLY A 48 -0.287 -13.598 10.105 1.00 0.00 N ATOM 558 CA GLY A 48 1.141 -13.549 10.355 1.00 0.00 C ATOM 559 C GLY A 48 1.714 -12.157 10.179 1.00 0.00 C ATOM 560 O GLY A 48 0.991 -11.166 10.268 1.00 0.00 O ATOM 0 H GLY A 48 -0.666 -12.789 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.341 -13.895 11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.649 -14.236 9.678 1.00 0.00 H new ATOM 564 N GLU A 49 3.017 -12.085 9.929 1.00 0.00 N ATOM 565 CA GLU A 49 3.687 -10.804 9.740 1.00 0.00 C ATOM 566 C GLU A 49 4.119 -10.624 8.290 1.00 0.00 C ATOM 567 O GLU A 49 4.861 -11.442 7.749 1.00 0.00 O ATOM 568 CB GLU A 49 4.903 -10.698 10.663 1.00 0.00 C ATOM 569 CG GLU A 49 5.643 -9.375 10.546 1.00 0.00 C ATOM 570 CD GLU A 49 6.965 -9.379 11.288 1.00 0.00 C ATOM 571 OE1 GLU A 49 7.830 -10.216 10.955 1.00 0.00 O ATOM 572 OE2 GLU A 49 7.135 -8.546 12.203 1.00 0.00 O ATOM 0 H GLU A 49 3.629 -12.897 9.853 1.00 0.00 H new ATOM 0 HA GLU A 49 2.980 -10.013 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.578 -10.833 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.592 -11.511 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.822 -9.155 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.014 -8.575 10.936 1.00 0.00 H new ATOM 579 N TYR A 50 3.659 -9.542 7.670 1.00 0.00 N ATOM 580 CA TYR A 50 4.008 -9.248 6.284 1.00 0.00 C ATOM 581 C TYR A 50 4.651 -7.868 6.176 1.00 0.00 C ATOM 582 O TYR A 50 4.307 -6.950 6.922 1.00 0.00 O ATOM 583 CB TYR A 50 2.771 -9.309 5.382 1.00 0.00 C ATOM 584 CG TYR A 50 1.863 -10.490 5.652 1.00 0.00 C ATOM 585 CD1 TYR A 50 2.380 -11.726 6.021 1.00 0.00 C ATOM 586 CD2 TYR A 50 0.484 -10.364 5.536 1.00 0.00 C ATOM 587 CE1 TYR A 50 1.547 -12.802 6.269 1.00 0.00 C ATOM 588 CE2 TYR A 50 -0.354 -11.434 5.782 1.00 0.00 C ATOM 589 CZ TYR A 50 0.180 -12.650 6.148 1.00 0.00 C ATOM 590 OH TYR A 50 -0.659 -13.716 6.394 1.00 0.00 O ATOM 0 H TYR A 50 3.044 -8.854 8.105 1.00 0.00 H new ATOM 0 HA TYR A 50 4.721 -10.003 5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.199 -8.390 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.095 -9.345 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.449 -11.848 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.060 -9.413 5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.964 -13.756 6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.424 -11.318 5.688 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.427 -14.123 7.255 1.00 0.00 H new ATOM 600 N ARG A 51 5.582 -7.729 5.240 1.00 0.00 N ATOM 601 CA ARG A 51 6.269 -6.460 5.029 1.00 0.00 C ATOM 602 C ARG A 51 5.504 -5.592 4.036 1.00 0.00 C ATOM 603 O ARG A 51 5.310 -5.977 2.883 1.00 0.00 O ATOM 604 CB ARG A 51 7.694 -6.700 4.524 1.00 0.00 C ATOM 605 CG ARG A 51 7.790 -7.765 3.442 1.00 0.00 C ATOM 606 CD ARG A 51 9.121 -7.700 2.710 1.00 0.00 C ATOM 607 NE ARG A 51 9.680 -9.030 2.472 1.00 0.00 N ATOM 608 CZ ARG A 51 10.627 -9.285 1.571 1.00 0.00 C ATOM 609 NH1 ARG A 51 11.122 -8.308 0.822 1.00 0.00 N ATOM 610 NH2 ARG A 51 11.080 -10.523 1.420 1.00 0.00 N ATOM 0 H ARG A 51 5.879 -8.479 4.615 1.00 0.00 H new ATOM 0 HA ARG A 51 6.317 -5.937 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.095 -5.764 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.323 -6.992 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.668 -8.751 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.975 -7.635 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.986 -7.187 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.827 -7.109 3.293 1.00 0.00 H new ATOM 0 HE ARG A 51 9.324 -9.807 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.777 -7.355 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.847 -8.510 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.703 -11.278 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.805 -10.720 0.730 1.00 0.00 H new ATOM 624 N ILE A 52 5.069 -4.420 4.488 1.00 0.00 N ATOM 625 CA ILE A 52 4.323 -3.505 3.633 1.00 0.00 C ATOM 626 C ILE A 52 5.254 -2.739 2.703 1.00 0.00 C ATOM 627 O ILE A 52 6.385 -2.414 3.065 1.00 0.00 O ATOM 628 CB ILE A 52 3.502 -2.493 4.456 1.00 0.00 C ATOM 629 CG1 ILE A 52 2.672 -3.216 5.514 1.00 0.00 C ATOM 630 CG2 ILE A 52 2.604 -1.664 3.546 1.00 0.00 C ATOM 631 CD1 ILE A 52 2.582 -2.464 6.822 1.00 0.00 C ATOM 0 H ILE A 52 5.220 -4.083 5.439 1.00 0.00 H new ATOM 0 HA ILE A 52 3.641 -4.119 3.045 1.00 0.00 H new ATOM 0 HB ILE A 52 4.193 -1.818 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.666 -3.379 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.107 -4.199 5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.033 -0.956 4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.217 -1.120 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.919 -2.323 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.978 -3.034 7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.583 -2.324 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.120 -1.492 6.652 1.00 0.00 H new ATOM 643 N ASN A 53 4.763 -2.448 1.506 1.00 0.00 N ATOM 644 CA ASN A 53 5.538 -1.712 0.520 1.00 0.00 C ATOM 645 C ASN A 53 4.659 -0.692 -0.193 1.00 0.00 C ATOM 646 O ASN A 53 3.748 -1.056 -0.935 1.00 0.00 O ATOM 647 CB ASN A 53 6.162 -2.674 -0.495 1.00 0.00 C ATOM 648 CG ASN A 53 7.659 -2.816 -0.307 1.00 0.00 C ATOM 649 OD1 ASN A 53 8.395 -1.830 -0.326 1.00 0.00 O ATOM 650 ND2 ASN A 53 8.118 -4.049 -0.124 1.00 0.00 N ATOM 0 H ASN A 53 3.828 -2.712 1.195 1.00 0.00 H new ATOM 0 HA ASN A 53 6.339 -1.182 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.692 -3.653 -0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.957 -2.317 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.117 -4.207 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.471 -4.838 -0.115 1.00 0.00 H new ATOM 657 N LEU A 54 4.934 0.589 0.037 1.00 0.00 N ATOM 658 CA LEU A 54 4.158 1.650 -0.590 1.00 0.00 C ATOM 659 C LEU A 54 4.894 2.198 -1.797 1.00 0.00 C ATOM 660 O LEU A 54 6.000 2.722 -1.683 1.00 0.00 O ATOM 661 CB LEU A 54 3.863 2.782 0.407 1.00 0.00 C ATOM 662 CG LEU A 54 2.381 3.029 0.755 1.00 0.00 C ATOM 663 CD1 LEU A 54 1.942 4.419 0.326 1.00 0.00 C ATOM 664 CD2 LEU A 54 1.462 1.986 0.134 1.00 0.00 C ATOM 0 H LEU A 54 5.683 0.914 0.648 1.00 0.00 H new ATOM 0 HA LEU A 54 3.208 1.225 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.399 2.569 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.277 3.707 0.004 1.00 0.00 H new ATOM 0 HG LEU A 54 2.300 2.947 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.893 4.565 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.549 5.166 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.069 4.524 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.429 2.202 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.563 2.012 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.735 0.996 0.500 1.00 0.00 H new ATOM 676 N THR A 55 4.265 2.064 -2.951 1.00 0.00 N ATOM 677 CA THR A 55 4.855 2.534 -4.202 1.00 0.00 C ATOM 678 C THR A 55 4.186 3.817 -4.677 1.00 0.00 C ATOM 679 O THR A 55 2.961 3.896 -4.752 1.00 0.00 O ATOM 680 CB THR A 55 4.744 1.454 -5.279 1.00 0.00 C ATOM 681 OG1 THR A 55 5.273 0.226 -4.813 1.00 0.00 O ATOM 682 CG2 THR A 55 5.472 1.808 -6.558 1.00 0.00 C ATOM 0 H THR A 55 3.346 1.634 -3.053 1.00 0.00 H new ATOM 0 HA THR A 55 5.908 2.747 -4.018 1.00 0.00 H new ATOM 0 HB THR A 55 3.679 1.370 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.191 -0.453 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.353 1.000 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.056 2.727 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.531 1.952 -6.346 1.00 0.00 H new ATOM 690 N TRP A 56 4.996 4.827 -4.986 1.00 0.00 N ATOM 691 CA TRP A 56 4.469 6.108 -5.444 1.00 0.00 C ATOM 692 C TRP A 56 5.540 6.919 -6.191 1.00 0.00 C ATOM 693 O TRP A 56 6.730 6.812 -5.897 1.00 0.00 O ATOM 694 CB TRP A 56 3.928 6.887 -4.251 1.00 0.00 C ATOM 695 CG TRP A 56 4.934 7.074 -3.164 1.00 0.00 C ATOM 696 CD1 TRP A 56 5.661 6.106 -2.530 1.00 0.00 C ATOM 697 CD2 TRP A 56 5.327 8.314 -2.591 1.00 0.00 C ATOM 698 NE1 TRP A 56 6.487 6.682 -1.593 1.00 0.00 N ATOM 699 CE2 TRP A 56 6.300 8.039 -1.614 1.00 0.00 C ATOM 700 CE3 TRP A 56 4.946 9.633 -2.816 1.00 0.00 C ATOM 701 CZ2 TRP A 56 6.898 9.044 -0.861 1.00 0.00 C ATOM 702 CZ3 TRP A 56 5.537 10.628 -2.074 1.00 0.00 C ATOM 703 CH2 TRP A 56 6.507 10.334 -1.106 1.00 0.00 C ATOM 0 H TRP A 56 6.013 4.783 -4.928 1.00 0.00 H new ATOM 0 HA TRP A 56 3.658 5.923 -6.148 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.583 7.864 -4.590 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.060 6.365 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.597 5.047 -2.734 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.133 6.181 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.200 9.871 -3.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.642 8.816 -0.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.248 11.655 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.955 11.139 -0.543 1.00 0.00 H new ATOM 714 N SER A 57 5.102 7.722 -7.165 1.00 0.00 N ATOM 715 CA SER A 57 6.015 8.549 -7.972 1.00 0.00 C ATOM 716 C SER A 57 5.268 9.683 -8.671 1.00 0.00 C ATOM 717 O SER A 57 4.512 9.456 -9.615 1.00 0.00 O ATOM 718 CB SER A 57 6.724 7.681 -9.013 1.00 0.00 C ATOM 719 OG SER A 57 6.710 6.315 -8.635 1.00 0.00 O ATOM 0 H SER A 57 4.118 7.820 -7.417 1.00 0.00 H new ATOM 0 HA SER A 57 6.751 8.990 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.237 7.798 -9.981 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.754 8.018 -9.131 1.00 0.00 H new ATOM 0 HG SER A 57 7.261 6.192 -7.834 1.00 0.00 H new ATOM 725 N SER A 58 5.504 10.906 -8.209 1.00 0.00 N ATOM 726 CA SER A 58 4.880 12.089 -8.790 1.00 0.00 C ATOM 727 C SER A 58 5.754 13.309 -8.545 1.00 0.00 C ATOM 728 O SER A 58 5.554 14.047 -7.581 1.00 0.00 O ATOM 729 CB SER A 58 3.492 12.321 -8.204 1.00 0.00 C ATOM 730 OG SER A 58 2.539 11.453 -8.788 1.00 0.00 O ATOM 0 H SER A 58 6.128 11.105 -7.427 1.00 0.00 H new ATOM 0 HA SER A 58 4.775 11.926 -9.863 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.519 12.164 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.193 13.356 -8.368 1.00 0.00 H new ATOM 0 HG SER A 58 3.002 10.742 -9.279 1.00 0.00 H new ATOM 736 N PRO A 59 6.745 13.533 -9.414 1.00 0.00 N ATOM 737 CA PRO A 59 7.666 14.664 -9.285 1.00 0.00 C ATOM 738 C PRO A 59 6.929 16.002 -9.233 1.00 0.00 C ATOM 739 O PRO A 59 6.743 16.658 -10.258 1.00 0.00 O ATOM 740 CB PRO A 59 8.530 14.562 -10.547 1.00 0.00 C ATOM 741 CG PRO A 59 8.440 13.130 -10.950 1.00 0.00 C ATOM 742 CD PRO A 59 7.052 12.697 -10.588 1.00 0.00 C ATOM 0 HA PRO A 59 8.243 14.626 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.161 15.219 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.561 14.853 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.622 13.011 -12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.186 12.529 -10.431 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.349 12.870 -11.403 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.009 11.634 -10.350 1.00 0.00 H new ATOM 750 N TYR A 60 6.502 16.397 -8.033 1.00 0.00 N ATOM 751 CA TYR A 60 5.776 17.651 -7.856 1.00 0.00 C ATOM 752 C TYR A 60 6.542 18.626 -6.955 1.00 0.00 C ATOM 753 O TYR A 60 7.375 19.393 -7.436 1.00 0.00 O ATOM 754 CB TYR A 60 4.380 17.379 -7.285 1.00 0.00 C ATOM 755 CG TYR A 60 3.314 17.211 -8.345 1.00 0.00 C ATOM 756 CD1 TYR A 60 3.420 16.223 -9.315 1.00 0.00 C ATOM 757 CD2 TYR A 60 2.202 18.042 -8.374 1.00 0.00 C ATOM 758 CE1 TYR A 60 2.448 16.067 -10.285 1.00 0.00 C ATOM 759 CE2 TYR A 60 1.225 17.893 -9.341 1.00 0.00 C ATOM 760 CZ TYR A 60 1.353 16.905 -10.293 1.00 0.00 C ATOM 761 OH TYR A 60 0.383 16.752 -11.257 1.00 0.00 O ATOM 0 H TYR A 60 6.647 15.868 -7.173 1.00 0.00 H new ATOM 0 HA TYR A 60 5.675 18.118 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.416 16.478 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.099 18.201 -6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.277 15.565 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.099 18.817 -7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.545 15.293 -11.032 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.366 18.548 -9.350 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.321 17.420 -11.122 1.00 0.00 H new ATOM 771 N SER A 61 6.257 18.604 -5.650 1.00 0.00 N ATOM 772 CA SER A 61 6.928 19.502 -4.712 1.00 0.00 C ATOM 773 C SER A 61 7.277 18.787 -3.401 1.00 0.00 C ATOM 774 O SER A 61 8.203 17.976 -3.365 1.00 0.00 O ATOM 775 CB SER A 61 6.053 20.732 -4.447 1.00 0.00 C ATOM 776 OG SER A 61 5.907 21.518 -5.616 1.00 0.00 O ATOM 0 H SER A 61 5.572 17.980 -5.224 1.00 0.00 H new ATOM 0 HA SER A 61 7.866 19.827 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.072 20.414 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.497 21.334 -3.654 1.00 0.00 H new ATOM 0 HG SER A 61 5.343 22.295 -5.419 1.00 0.00 H new ATOM 782 N SER A 62 6.546 19.085 -2.322 1.00 0.00 N ATOM 783 CA SER A 62 6.811 18.457 -1.030 1.00 0.00 C ATOM 784 C SER A 62 5.784 18.878 0.021 1.00 0.00 C ATOM 785 O SER A 62 5.326 20.020 0.035 1.00 0.00 O ATOM 786 CB SER A 62 8.219 18.813 -0.550 1.00 0.00 C ATOM 787 OG SER A 62 8.391 18.484 0.817 1.00 0.00 O ATOM 0 H SER A 62 5.774 19.751 -2.320 1.00 0.00 H new ATOM 0 HA SER A 62 6.734 17.378 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.957 18.281 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.398 19.878 -0.696 1.00 0.00 H new ATOM 0 HG SER A 62 7.932 17.640 1.011 1.00 0.00 H new ATOM 793 N LYS A 63 5.433 17.943 0.903 1.00 0.00 N ATOM 794 CA LYS A 63 4.465 18.206 1.967 1.00 0.00 C ATOM 795 C LYS A 63 4.246 16.959 2.824 1.00 0.00 C ATOM 796 O LYS A 63 4.689 15.867 2.469 1.00 0.00 O ATOM 797 CB LYS A 63 3.134 18.672 1.373 1.00 0.00 C ATOM 798 CG LYS A 63 2.436 19.744 2.198 1.00 0.00 C ATOM 799 CD LYS A 63 3.334 20.949 2.429 1.00 0.00 C ATOM 800 CE LYS A 63 3.774 21.050 3.880 1.00 0.00 C ATOM 801 NZ LYS A 63 2.626 20.916 4.819 1.00 0.00 N ATOM 0 H LYS A 63 5.806 16.994 0.901 1.00 0.00 H new ATOM 0 HA LYS A 63 4.866 18.996 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.310 19.057 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.470 17.813 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.526 20.061 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.134 19.325 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.212 20.878 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.804 21.858 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.509 20.273 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.267 22.008 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.780 21.528 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.749 21.199 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.546 19.927 5.131 1.00 0.00 H new ATOM 815 N VAL A 64 3.556 17.128 3.950 1.00 0.00 N ATOM 816 CA VAL A 64 3.273 16.014 4.852 1.00 0.00 C ATOM 817 C VAL A 64 2.039 15.244 4.393 1.00 0.00 C ATOM 818 O VAL A 64 1.226 15.763 3.630 1.00 0.00 O ATOM 819 CB VAL A 64 3.049 16.501 6.297 1.00 0.00 C ATOM 820 CG1 VAL A 64 2.993 15.324 7.257 1.00 0.00 C ATOM 821 CG2 VAL A 64 4.139 17.482 6.706 1.00 0.00 C ATOM 0 H VAL A 64 3.183 18.025 4.259 1.00 0.00 H new ATOM 0 HA VAL A 64 4.143 15.358 4.830 1.00 0.00 H new ATOM 0 HB VAL A 64 2.091 17.019 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.834 15.689 8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.172 14.664 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.933 14.773 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.964 17.815 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.111 16.992 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.124 18.342 6.037 1.00 0.00 H new ATOM 831 N ASN A 65 1.898 14.004 4.858 1.00 0.00 N ATOM 832 CA ASN A 65 0.754 13.181 4.479 1.00 0.00 C ATOM 833 C ASN A 65 0.532 12.049 5.476 1.00 0.00 C ATOM 834 O ASN A 65 1.396 11.754 6.302 1.00 0.00 O ATOM 835 CB ASN A 65 0.960 12.602 3.077 1.00 0.00 C ATOM 836 CG ASN A 65 0.793 13.642 1.987 1.00 0.00 C ATOM 837 OD1 ASN A 65 -0.310 13.863 1.487 1.00 0.00 O ATOM 838 ND2 ASN A 65 1.892 14.289 1.613 1.00 0.00 N ATOM 0 H ASN A 65 2.556 13.551 5.492 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.130 13.818 4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.958 12.168 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.248 11.793 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.842 15.001 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.786 14.074 2.055 1.00 0.00 H new ATOM 845 N THR A 66 -0.633 11.415 5.387 1.00 0.00 N ATOM 846 CA THR A 66 -0.975 10.309 6.273 1.00 0.00 C ATOM 847 C THR A 66 -0.956 8.985 5.517 1.00 0.00 C ATOM 848 O THR A 66 -1.445 8.894 4.391 1.00 0.00 O ATOM 849 CB THR A 66 -2.351 10.532 6.900 1.00 0.00 C ATOM 850 OG1 THR A 66 -2.667 11.912 6.943 1.00 0.00 O ATOM 851 CG2 THR A 66 -2.461 9.990 8.309 1.00 0.00 C ATOM 0 H THR A 66 -1.357 11.649 4.708 1.00 0.00 H new ATOM 0 HA THR A 66 -0.228 10.268 7.066 1.00 0.00 H new ATOM 0 HB THR A 66 -3.049 9.989 6.263 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.552 12.033 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.462 10.181 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.274 8.916 8.301 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.726 10.482 8.946 1.00 0.00 H new ATOM 859 N LEU A 67 -0.386 7.962 6.140 1.00 0.00 N ATOM 860 CA LEU A 67 -0.302 6.645 5.519 1.00 0.00 C ATOM 861 C LEU A 67 -1.065 5.609 6.339 1.00 0.00 C ATOM 862 O LEU A 67 -0.598 5.160 7.386 1.00 0.00 O ATOM 863 CB LEU A 67 1.170 6.241 5.356 1.00 0.00 C ATOM 864 CG LEU A 67 1.428 4.749 5.125 1.00 0.00 C ATOM 865 CD1 LEU A 67 0.674 4.263 3.902 1.00 0.00 C ATOM 866 CD2 LEU A 67 2.918 4.483 4.971 1.00 0.00 C ATOM 0 H LEU A 67 0.024 8.017 7.072 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.764 6.690 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.590 6.797 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.714 6.551 6.248 1.00 0.00 H new ATOM 0 HG LEU A 67 1.068 4.199 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.869 3.201 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.395 4.419 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.006 4.819 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.082 3.418 4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.302 5.044 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.439 4.796 5.876 1.00 0.00 H new ATOM 878 N VAL A 68 -2.247 5.237 5.852 1.00 0.00 N ATOM 879 CA VAL A 68 -3.083 4.256 6.533 1.00 0.00 C ATOM 880 C VAL A 68 -2.702 2.837 6.134 1.00 0.00 C ATOM 881 O VAL A 68 -2.937 2.413 5.003 1.00 0.00 O ATOM 882 CB VAL A 68 -4.579 4.475 6.230 1.00 0.00 C ATOM 883 CG1 VAL A 68 -5.440 3.646 7.170 1.00 0.00 C ATOM 884 CG2 VAL A 68 -4.935 5.951 6.331 1.00 0.00 C ATOM 0 H VAL A 68 -2.646 5.602 4.987 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.914 4.391 7.601 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.776 4.147 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.493 3.813 6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.204 2.589 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.241 3.940 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.995 6.085 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.723 6.308 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.343 6.518 5.613 1.00 0.00 H new ATOM 894 N MET A 69 -2.113 2.109 7.072 1.00 0.00 N ATOM 895 CA MET A 69 -1.697 0.736 6.825 1.00 0.00 C ATOM 896 C MET A 69 -2.281 -0.197 7.881 1.00 0.00 C ATOM 897 O MET A 69 -1.782 -0.272 9.004 1.00 0.00 O ATOM 898 CB MET A 69 -0.166 0.647 6.812 1.00 0.00 C ATOM 899 CG MET A 69 0.423 0.072 5.527 1.00 0.00 C ATOM 900 SD MET A 69 -0.346 0.725 4.027 1.00 0.00 S ATOM 901 CE MET A 69 1.090 1.135 3.033 1.00 0.00 C ATOM 0 H MET A 69 -1.912 2.447 8.013 1.00 0.00 H new ATOM 0 HA MET A 69 -2.073 0.424 5.851 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.245 1.644 6.971 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.157 0.032 7.652 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.492 0.284 5.500 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.313 -1.012 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.903 2.060 2.488 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.956 1.265 3.682 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.285 0.329 2.325 1.00 0.00 H new ATOM 911 N ASP A 70 -3.349 -0.901 7.509 1.00 0.00 N ATOM 912 CA ASP A 70 -4.023 -1.831 8.414 1.00 0.00 C ATOM 913 C ASP A 70 -4.922 -1.081 9.394 1.00 0.00 C ATOM 914 O ASP A 70 -5.101 -1.506 10.536 1.00 0.00 O ATOM 915 CB ASP A 70 -3.005 -2.679 9.181 1.00 0.00 C ATOM 916 CG ASP A 70 -3.508 -4.085 9.446 1.00 0.00 C ATOM 917 OD1 ASP A 70 -3.652 -4.857 8.475 1.00 0.00 O ATOM 918 OD2 ASP A 70 -3.759 -4.413 10.625 1.00 0.00 O ATOM 0 H ASP A 70 -3.768 -0.844 6.581 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.643 -2.493 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.076 -2.729 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.773 -2.194 10.129 1.00 0.00 H new ATOM 923 N GLY A 71 -5.491 0.030 8.937 1.00 0.00 N ATOM 924 CA GLY A 71 -6.369 0.817 9.785 1.00 0.00 C ATOM 925 C GLY A 71 -5.642 1.927 10.520 1.00 0.00 C ATOM 926 O GLY A 71 -6.246 2.939 10.880 1.00 0.00 O ATOM 0 H GLY A 71 -5.360 0.400 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.162 1.251 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.848 0.161 10.511 1.00 0.00 H new ATOM 930 N THR A 72 -4.346 1.742 10.748 1.00 0.00 N ATOM 931 CA THR A 72 -3.545 2.739 11.449 1.00 0.00 C ATOM 932 C THR A 72 -2.944 3.745 10.473 1.00 0.00 C ATOM 933 O THR A 72 -2.312 3.367 9.487 1.00 0.00 O ATOM 934 CB THR A 72 -2.431 2.060 12.246 1.00 0.00 C ATOM 935 OG1 THR A 72 -2.797 0.737 12.592 1.00 0.00 O ATOM 936 CG2 THR A 72 -2.080 2.791 13.524 1.00 0.00 C ATOM 0 H THR A 72 -3.829 0.912 10.458 1.00 0.00 H new ATOM 0 HA THR A 72 -4.201 3.275 12.135 1.00 0.00 H new ATOM 0 HB THR A 72 -1.560 2.069 11.591 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.071 0.319 13.100 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.283 2.257 14.042 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.745 3.800 13.285 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.959 2.843 14.167 1.00 0.00 H new ATOM 944 N ALA A 73 -3.144 5.029 10.754 1.00 0.00 N ATOM 945 CA ALA A 73 -2.620 6.088 9.901 1.00 0.00 C ATOM 946 C ALA A 73 -1.312 6.645 10.453 1.00 0.00 C ATOM 947 O ALA A 73 -1.313 7.479 11.358 1.00 0.00 O ATOM 948 CB ALA A 73 -3.645 7.201 9.747 1.00 0.00 C ATOM 0 H ALA A 73 -3.665 5.360 11.566 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.416 5.659 8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.238 7.984 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.553 6.800 9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.879 7.618 10.726 1.00 0.00 H new ATOM 954 N LEU A 74 -0.199 6.178 9.898 1.00 0.00 N ATOM 955 CA LEU A 74 1.115 6.626 10.329 1.00 0.00 C ATOM 956 C LEU A 74 1.461 7.973 9.698 1.00 0.00 C ATOM 957 O LEU A 74 1.313 8.159 8.490 1.00 0.00 O ATOM 958 CB LEU A 74 2.176 5.582 9.966 1.00 0.00 C ATOM 959 CG LEU A 74 2.285 5.261 8.472 1.00 0.00 C ATOM 960 CD1 LEU A 74 3.642 5.682 7.926 1.00 0.00 C ATOM 961 CD2 LEU A 74 2.047 3.777 8.216 1.00 0.00 C ATOM 0 H LEU A 74 -0.183 5.488 9.147 1.00 0.00 H new ATOM 0 HA LEU A 74 1.098 6.749 11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.146 5.934 10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.956 4.660 10.505 1.00 0.00 H new ATOM 0 HG LEU A 74 1.513 5.827 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.696 5.444 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.773 6.755 8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.430 5.148 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.130 3.574 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.791 3.191 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.050 3.504 8.561 1.00 0.00 H new ATOM 973 N SER A 75 1.916 8.913 10.523 1.00 0.00 N ATOM 974 CA SER A 75 2.274 10.244 10.043 1.00 0.00 C ATOM 975 C SER A 75 3.655 10.240 9.402 1.00 0.00 C ATOM 976 O SER A 75 4.674 10.169 10.090 1.00 0.00 O ATOM 977 CB SER A 75 2.239 11.251 11.195 1.00 0.00 C ATOM 978 OG SER A 75 2.913 12.449 10.847 1.00 0.00 O ATOM 0 H SER A 75 2.045 8.777 11.526 1.00 0.00 H new ATOM 0 HA SER A 75 1.544 10.537 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.204 11.475 11.455 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.702 10.813 12.079 1.00 0.00 H new ATOM 0 HG SER A 75 2.256 13.144 10.634 1.00 0.00 H new ATOM 984 N TYR A 76 3.679 10.320 8.077 1.00 0.00 N ATOM 985 CA TYR A 76 4.930 10.331 7.331 1.00 0.00 C ATOM 986 C TYR A 76 4.976 11.525 6.385 1.00 0.00 C ATOM 987 O TYR A 76 4.123 11.669 5.509 1.00 0.00 O ATOM 988 CB TYR A 76 5.088 9.029 6.546 1.00 0.00 C ATOM 989 CG TYR A 76 6.518 8.721 6.167 1.00 0.00 C ATOM 990 CD1 TYR A 76 7.201 9.519 5.260 1.00 0.00 C ATOM 991 CD2 TYR A 76 7.184 7.633 6.714 1.00 0.00 C ATOM 992 CE1 TYR A 76 8.508 9.243 4.909 1.00 0.00 C ATOM 993 CE2 TYR A 76 8.491 7.349 6.368 1.00 0.00 C ATOM 994 CZ TYR A 76 9.149 8.157 5.465 1.00 0.00 C ATOM 995 OH TYR A 76 10.450 7.879 5.118 1.00 0.00 O ATOM 0 H TYR A 76 2.843 10.378 7.496 1.00 0.00 H new ATOM 0 HA TYR A 76 5.755 10.417 8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.693 8.206 7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.485 9.085 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.702 10.370 4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 76 6.672 6.998 7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.025 9.875 4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.995 6.498 6.803 1.00 0.00 H new ATOM 0 HH TYR A 76 10.754 7.081 5.600 1.00 0.00 H new ATOM 1005 N ALA A 77 5.971 12.385 6.574 1.00 0.00 N ATOM 1006 CA ALA A 77 6.119 13.573 5.742 1.00 0.00 C ATOM 1007 C ALA A 77 7.263 13.420 4.746 1.00 0.00 C ATOM 1008 O ALA A 77 8.310 12.857 5.065 1.00 0.00 O ATOM 1009 CB ALA A 77 6.341 14.799 6.616 1.00 0.00 C ATOM 0 H ALA A 77 6.686 12.282 7.295 1.00 0.00 H new ATOM 0 HA ALA A 77 5.198 13.700 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.450 15.681 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.487 14.932 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.245 14.664 7.210 1.00 0.00 H new ATOM 1015 N PHE A 78 7.055 13.938 3.540 1.00 0.00 N ATOM 1016 CA PHE A 78 8.067 13.877 2.491 1.00 0.00 C ATOM 1017 C PHE A 78 7.679 14.753 1.298 1.00 0.00 C ATOM 1018 O PHE A 78 7.976 15.947 1.274 1.00 0.00 O ATOM 1019 CB PHE A 78 8.321 12.430 2.033 1.00 0.00 C ATOM 1020 CG PHE A 78 7.150 11.486 2.171 1.00 0.00 C ATOM 1021 CD1 PHE A 78 5.839 11.944 2.147 1.00 0.00 C ATOM 1022 CD2 PHE A 78 7.373 10.126 2.320 1.00 0.00 C ATOM 1023 CE1 PHE A 78 4.779 11.063 2.271 1.00 0.00 C ATOM 1024 CE2 PHE A 78 6.318 9.242 2.445 1.00 0.00 C ATOM 1025 CZ PHE A 78 5.021 9.711 2.422 1.00 0.00 C ATOM 0 H PHE A 78 6.192 14.406 3.264 1.00 0.00 H new ATOM 0 HA PHE A 78 8.994 14.263 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.629 12.448 0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.158 12.029 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.645 13.000 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.386 9.752 2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.764 11.432 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.509 8.185 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.195 9.022 2.522 1.00 0.00 H new ATOM 1035 N ALA A 79 7.027 14.154 0.304 1.00 0.00 N ATOM 1036 CA ALA A 79 6.616 14.876 -0.890 1.00 0.00 C ATOM 1037 C ALA A 79 5.671 14.026 -1.725 1.00 0.00 C ATOM 1038 O ALA A 79 4.990 13.148 -1.198 1.00 0.00 O ATOM 1039 CB ALA A 79 7.846 15.270 -1.696 1.00 0.00 C ATOM 0 H ALA A 79 6.773 13.166 0.306 1.00 0.00 H new ATOM 0 HA ALA A 79 6.083 15.781 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.537 15.811 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.489 15.908 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.394 14.373 -1.985 1.00 0.00 H new ATOM 1045 N GLU A 80 5.639 14.288 -3.026 1.00 0.00 N ATOM 1046 CA GLU A 80 4.790 13.535 -3.943 1.00 0.00 C ATOM 1047 C GLU A 80 5.643 12.568 -4.757 1.00 0.00 C ATOM 1048 O GLU A 80 5.350 12.279 -5.917 1.00 0.00 O ATOM 1049 CB GLU A 80 4.024 14.488 -4.869 1.00 0.00 C ATOM 1050 CG GLU A 80 2.738 13.902 -5.441 1.00 0.00 C ATOM 1051 CD GLU A 80 1.516 14.733 -5.100 1.00 0.00 C ATOM 1052 OE1 GLU A 80 1.554 15.959 -5.329 1.00 0.00 O ATOM 1053 OE2 GLU A 80 0.522 14.156 -4.612 1.00 0.00 O ATOM 0 H GLU A 80 6.193 15.019 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 80 4.062 12.964 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.783 15.397 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.676 14.779 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.829 13.824 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.603 12.890 -5.059 1.00 0.00 H new ATOM 1060 N ALA A 81 6.710 12.078 -4.129 1.00 0.00 N ATOM 1061 CA ALA A 81 7.637 11.147 -4.767 1.00 0.00 C ATOM 1062 C ALA A 81 8.031 11.636 -6.155 1.00 0.00 C ATOM 1063 O ALA A 81 7.768 12.783 -6.515 1.00 0.00 O ATOM 1064 CB ALA A 81 7.044 9.745 -4.831 1.00 0.00 C ATOM 0 H ALA A 81 6.955 12.314 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 81 8.540 11.102 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.754 9.071 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.834 9.392 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.119 9.767 -5.407 1.00 0.00 H new ATOM 1070 N THR A 82 8.677 10.772 -6.924 1.00 0.00 N ATOM 1071 CA THR A 82 9.119 11.134 -8.260 1.00 0.00 C ATOM 1072 C THR A 82 9.386 9.895 -9.101 1.00 0.00 C ATOM 1073 O THR A 82 9.039 9.834 -10.281 1.00 0.00 O ATOM 1074 CB THR A 82 10.381 11.973 -8.148 1.00 0.00 C ATOM 1075 OG1 THR A 82 10.974 12.183 -9.417 1.00 0.00 O ATOM 1076 CG2 THR A 82 11.434 11.363 -7.242 1.00 0.00 C ATOM 0 H THR A 82 8.906 9.818 -6.646 1.00 0.00 H new ATOM 0 HA THR A 82 8.333 11.707 -8.753 1.00 0.00 H new ATOM 0 HB THR A 82 10.051 12.916 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.783 12.727 -9.314 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.307 12.015 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.028 11.249 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.725 10.386 -7.628 1.00 0.00 H new ATOM 1084 N VAL A 83 10.009 8.914 -8.472 1.00 0.00 N ATOM 1085 CA VAL A 83 10.346 7.659 -9.116 1.00 0.00 C ATOM 1086 C VAL A 83 9.625 6.529 -8.398 1.00 0.00 C ATOM 1087 O VAL A 83 8.862 6.785 -7.468 1.00 0.00 O ATOM 1088 CB VAL A 83 11.885 7.430 -9.076 1.00 0.00 C ATOM 1089 CG1 VAL A 83 12.614 8.759 -9.108 1.00 0.00 C ATOM 1090 CG2 VAL A 83 12.315 6.666 -7.830 1.00 0.00 C ATOM 0 H VAL A 83 10.296 8.967 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 83 10.033 7.687 -10.160 1.00 0.00 H new ATOM 0 HB VAL A 83 12.142 6.836 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.690 8.585 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.357 9.293 -10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.320 9.356 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.396 6.528 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.031 7.230 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.825 5.692 -7.813 1.00 0.00 H new ATOM 1100 N PRO A 84 9.863 5.266 -8.780 1.00 0.00 N ATOM 1101 CA PRO A 84 9.237 4.135 -8.106 1.00 0.00 C ATOM 1102 C PRO A 84 9.772 4.021 -6.682 1.00 0.00 C ATOM 1103 O PRO A 84 10.428 3.043 -6.323 1.00 0.00 O ATOM 1104 CB PRO A 84 9.654 2.918 -8.949 1.00 0.00 C ATOM 1105 CG PRO A 84 10.228 3.480 -10.210 1.00 0.00 C ATOM 1106 CD PRO A 84 10.765 4.837 -9.856 1.00 0.00 C ATOM 0 HA PRO A 84 8.154 4.228 -8.027 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.388 2.309 -8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.799 2.276 -9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.018 2.838 -10.598 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.466 3.553 -10.986 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.801 4.789 -9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.736 5.519 -10.706 1.00 0.00 H new ATOM 1114 N VAL A 85 9.507 5.054 -5.883 1.00 0.00 N ATOM 1115 CA VAL A 85 9.976 5.108 -4.509 1.00 0.00 C ATOM 1116 C VAL A 85 9.095 4.264 -3.596 1.00 0.00 C ATOM 1117 O VAL A 85 7.918 4.566 -3.394 1.00 0.00 O ATOM 1118 CB VAL A 85 10.014 6.563 -3.992 1.00 0.00 C ATOM 1119 CG1 VAL A 85 10.657 6.622 -2.615 1.00 0.00 C ATOM 1120 CG2 VAL A 85 10.757 7.470 -4.974 1.00 0.00 C ATOM 0 H VAL A 85 8.965 5.868 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 85 10.988 4.703 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 85 8.988 6.923 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.676 7.654 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.081 6.014 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.676 6.240 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.771 8.489 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.780 7.114 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.250 7.454 -5.939 1.00 0.00 H new ATOM 1130 N THR A 86 9.674 3.193 -3.060 1.00 0.00 N ATOM 1131 CA THR A 86 8.947 2.287 -2.180 1.00 0.00 C ATOM 1132 C THR A 86 9.214 2.600 -0.711 1.00 0.00 C ATOM 1133 O THR A 86 10.244 3.177 -0.365 1.00 0.00 O ATOM 1134 CB THR A 86 9.337 0.838 -2.478 1.00 0.00 C ATOM 1135 OG1 THR A 86 10.714 0.627 -2.226 1.00 0.00 O ATOM 1136 CG2 THR A 86 9.064 0.425 -3.907 1.00 0.00 C ATOM 0 H THR A 86 10.647 2.932 -3.221 1.00 0.00 H new ATOM 0 HA THR A 86 7.882 2.425 -2.368 1.00 0.00 H new ATOM 0 HB THR A 86 8.717 0.232 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.943 -0.306 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.364 -0.613 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.000 0.528 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.632 1.063 -4.585 1.00 0.00 H new ATOM 1144 N TYR A 87 8.278 2.205 0.150 1.00 0.00 N ATOM 1145 CA TYR A 87 8.407 2.431 1.581 1.00 0.00 C ATOM 1146 C TYR A 87 8.166 1.125 2.334 1.00 0.00 C ATOM 1147 O TYR A 87 7.173 0.443 2.095 1.00 0.00 O ATOM 1148 CB TYR A 87 7.410 3.503 2.032 1.00 0.00 C ATOM 1149 CG TYR A 87 7.447 3.797 3.515 1.00 0.00 C ATOM 1150 CD1 TYR A 87 8.621 3.663 4.246 1.00 0.00 C ATOM 1151 CD2 TYR A 87 6.300 4.209 4.183 1.00 0.00 C ATOM 1152 CE1 TYR A 87 8.651 3.930 5.601 1.00 0.00 C ATOM 1153 CE2 TYR A 87 6.323 4.479 5.537 1.00 0.00 C ATOM 1154 CZ TYR A 87 7.499 4.338 6.242 1.00 0.00 C ATOM 1155 OH TYR A 87 7.524 4.605 7.593 1.00 0.00 O ATOM 0 H TYR A 87 7.420 1.725 -0.124 1.00 0.00 H new ATOM 0 HA TYR A 87 9.416 2.781 1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.611 4.424 1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.403 3.185 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 87 9.524 3.345 3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.376 4.320 3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.571 3.820 6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.423 4.799 6.041 1.00 0.00 H new ATOM 0 HH TYR A 87 7.762 5.545 7.736 1.00 0.00 H new ATOM 1165 N VAL A 88 9.083 0.770 3.229 1.00 0.00 N ATOM 1166 CA VAL A 88 8.956 -0.470 3.989 1.00 0.00 C ATOM 1167 C VAL A 88 8.379 -0.234 5.381 1.00 0.00 C ATOM 1168 O VAL A 88 8.803 0.670 6.101 1.00 0.00 O ATOM 1169 CB VAL A 88 10.311 -1.191 4.133 1.00 0.00 C ATOM 1170 CG1 VAL A 88 10.133 -2.544 4.815 1.00 0.00 C ATOM 1171 CG2 VAL A 88 10.972 -1.355 2.772 1.00 0.00 C ATOM 0 H VAL A 88 9.916 1.318 3.445 1.00 0.00 H new ATOM 0 HA VAL A 88 8.269 -1.097 3.421 1.00 0.00 H new ATOM 0 HB VAL A 88 10.961 -0.580 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.102 -3.036 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.705 -2.398 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.465 -3.166 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.928 -1.866 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.325 -1.943 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.138 -0.374 2.327 1.00 0.00 H new ATOM 1181 N GLN A 89 7.426 -1.080 5.755 1.00 0.00 N ATOM 1182 CA GLN A 89 6.796 -1.006 7.065 1.00 0.00 C ATOM 1183 C GLN A 89 6.485 -2.409 7.566 1.00 0.00 C ATOM 1184 O GLN A 89 5.629 -3.097 7.013 1.00 0.00 O ATOM 1185 CB GLN A 89 5.502 -0.190 7.013 1.00 0.00 C ATOM 1186 CG GLN A 89 5.642 1.148 6.309 1.00 0.00 C ATOM 1187 CD GLN A 89 5.349 1.059 4.825 1.00 0.00 C ATOM 1188 OE1 GLN A 89 4.216 0.465 4.471 1.00 0.00 O flip ATOM 1189 NE2 GLN A 89 6.133 1.519 4.004 1.00 0.00 N flip ATOM 0 H GLN A 89 7.071 -1.831 5.163 1.00 0.00 H new ATOM 0 HA GLN A 89 7.490 -0.512 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.735 -0.776 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.152 -0.018 8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.964 1.868 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.654 1.526 6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.994 1.968 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.925 1.453 3.008 1.00 0.00 H new ATOM 1198 N THR A 90 7.178 -2.828 8.615 1.00 0.00 N ATOM 1199 CA THR A 90 6.958 -4.151 9.179 1.00 0.00 C ATOM 1200 C THR A 90 5.729 -4.135 10.073 1.00 0.00 C ATOM 1201 O THR A 90 5.677 -3.406 11.064 1.00 0.00 O ATOM 1202 CB THR A 90 8.191 -4.617 9.947 1.00 0.00 C ATOM 1203 OG1 THR A 90 8.733 -3.563 10.726 1.00 0.00 O ATOM 1204 CG2 THR A 90 9.282 -5.132 9.033 1.00 0.00 C ATOM 0 H THR A 90 7.892 -2.276 9.090 1.00 0.00 H new ATOM 0 HA THR A 90 6.784 -4.859 8.368 1.00 0.00 H new ATOM 0 HB THR A 90 7.852 -5.431 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.006 -3.069 11.159 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.136 -5.451 9.630 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.906 -5.978 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.591 -4.339 8.352 1.00 0.00 H new ATOM 1212 N LYS A 91 4.727 -4.916 9.695 1.00 0.00 N ATOM 1213 CA LYS A 91 3.477 -4.962 10.444 1.00 0.00 C ATOM 1214 C LYS A 91 2.747 -6.286 10.221 1.00 0.00 C ATOM 1215 O LYS A 91 2.800 -6.861 9.133 1.00 0.00 O ATOM 1216 CB LYS A 91 2.604 -3.778 10.015 1.00 0.00 C ATOM 1217 CG LYS A 91 1.173 -3.815 10.529 1.00 0.00 C ATOM 1218 CD LYS A 91 0.209 -3.263 9.490 1.00 0.00 C ATOM 1219 CE LYS A 91 -0.234 -4.345 8.517 1.00 0.00 C ATOM 1220 NZ LYS A 91 -0.395 -3.818 7.133 1.00 0.00 N ATOM 0 H LYS A 91 4.754 -5.525 8.877 1.00 0.00 H new ATOM 0 HA LYS A 91 3.693 -4.892 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.074 -2.856 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.582 -3.738 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.898 -4.840 10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.097 -3.233 11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.663 -2.840 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.688 -2.452 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.498 -5.153 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.178 -4.772 8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.257 -4.215 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.470 -2.781 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.430 -4.089 6.560 1.00 0.00 H new ATOM 1234 N THR A 92 2.071 -6.763 11.263 1.00 0.00 N ATOM 1235 CA THR A 92 1.332 -8.017 11.192 1.00 0.00 C ATOM 1236 C THR A 92 -0.138 -7.781 10.856 1.00 0.00 C ATOM 1237 O THR A 92 -0.729 -6.784 11.272 1.00 0.00 O ATOM 1238 CB THR A 92 1.442 -8.768 12.520 1.00 0.00 C ATOM 1239 OG1 THR A 92 1.333 -7.871 13.611 1.00 0.00 O ATOM 1240 CG2 THR A 92 2.741 -9.525 12.678 1.00 0.00 C ATOM 0 H THR A 92 2.021 -6.297 12.169 1.00 0.00 H new ATOM 0 HA THR A 92 1.771 -8.617 10.395 1.00 0.00 H new ATOM 0 HB THR A 92 0.623 -9.487 12.513 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.404 -8.369 14.452 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.751 -10.034 13.642 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.833 -10.260 11.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.577 -8.827 12.627 1.00 0.00 H new ATOM 1248 N LEU A 93 -0.724 -8.714 10.111 1.00 0.00 N ATOM 1249 CA LEU A 93 -2.128 -8.623 9.726 1.00 0.00 C ATOM 1250 C LEU A 93 -2.880 -9.881 10.151 1.00 0.00 C ATOM 1251 O LEU A 93 -2.335 -10.985 10.101 1.00 0.00 O ATOM 1252 CB LEU A 93 -2.274 -8.436 8.212 1.00 0.00 C ATOM 1253 CG LEU A 93 -1.236 -7.528 7.543 1.00 0.00 C ATOM 1254 CD1 LEU A 93 0.130 -8.197 7.521 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -1.687 -7.174 6.132 1.00 0.00 C ATOM 0 H LEU A 93 -0.246 -9.544 9.761 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.553 -7.756 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.228 -9.417 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.266 -8.031 8.010 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.149 -6.609 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.852 -7.535 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.450 -8.404 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.069 -9.131 6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.944 -6.529 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.797 -8.086 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.644 -6.654 6.176 1.00 0.00 H new ATOM 1267 N SER A 94 -4.133 -9.714 10.561 1.00 0.00 N ATOM 1268 CA SER A 94 -4.952 -10.846 10.980 1.00 0.00 C ATOM 1269 C SER A 94 -5.813 -11.340 9.827 1.00 0.00 C ATOM 1270 O SER A 94 -6.002 -10.638 8.837 1.00 0.00 O ATOM 1271 CB SER A 94 -5.843 -10.469 12.162 1.00 0.00 C ATOM 1272 OG SER A 94 -6.352 -9.153 12.021 1.00 0.00 O ATOM 0 H SER A 94 -4.602 -8.810 10.612 1.00 0.00 H new ATOM 0 HA SER A 94 -4.279 -11.645 11.291 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.670 -11.175 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.274 -10.544 13.089 1.00 0.00 H new ATOM 0 HG SER A 94 -6.920 -8.938 12.790 1.00 0.00 H new ATOM 1278 N ALA A 95 -6.332 -12.551 9.965 1.00 0.00 N ATOM 1279 CA ALA A 95 -7.174 -13.144 8.935 1.00 0.00 C ATOM 1280 C ALA A 95 -8.579 -12.552 8.964 1.00 0.00 C ATOM 1281 O ALA A 95 -9.269 -12.612 9.982 1.00 0.00 O ATOM 1282 CB ALA A 95 -7.226 -14.651 9.114 1.00 0.00 C ATOM 0 H ALA A 95 -6.185 -13.144 10.782 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.739 -12.917 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.857 -15.088 8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.219 -15.062 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.639 -14.887 10.095 1.00 0.00 H new ATOM 1288 N GLY A 96 -8.997 -11.977 7.841 1.00 0.00 N ATOM 1289 CA GLY A 96 -10.317 -11.381 7.757 1.00 0.00 C ATOM 1290 C GLY A 96 -10.343 -10.154 6.866 1.00 0.00 C ATOM 1291 O GLY A 96 -9.592 -10.070 5.894 1.00 0.00 O ATOM 0 H GLY A 96 -8.444 -11.913 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.022 -12.119 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.653 -11.107 8.757 1.00 0.00 H new ATOM 1295 N ASN A 97 -11.208 -9.201 7.198 1.00 0.00 N ATOM 1296 CA ASN A 97 -11.328 -7.972 6.421 1.00 0.00 C ATOM 1297 C ASN A 97 -10.514 -6.849 7.054 1.00 0.00 C ATOM 1298 O ASN A 97 -10.413 -6.757 8.277 1.00 0.00 O ATOM 1299 CB ASN A 97 -12.797 -7.555 6.309 1.00 0.00 C ATOM 1300 CG ASN A 97 -13.468 -8.125 5.073 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -13.775 -7.398 4.128 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -13.699 -9.432 5.076 1.00 0.00 N ATOM 0 H ASN A 97 -11.836 -9.256 8.000 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.936 -8.162 5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.335 -7.887 7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.862 -6.467 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.148 -9.872 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.427 -9.996 5.881 1.00 0.00 H new ATOM 1309 N HIS A 98 -9.933 -5.997 6.215 1.00 0.00 N ATOM 1310 CA HIS A 98 -9.125 -4.882 6.697 1.00 0.00 C ATOM 1311 C HIS A 98 -9.098 -3.744 5.680 1.00 0.00 C ATOM 1312 O HIS A 98 -9.142 -3.977 4.472 1.00 0.00 O ATOM 1313 CB HIS A 98 -7.699 -5.350 6.994 1.00 0.00 C ATOM 1314 CG HIS A 98 -7.617 -6.345 8.111 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -7.957 -7.673 7.963 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -7.227 -6.199 9.399 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -7.782 -8.300 9.112 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -7.339 -7.429 9.999 1.00 0.00 N ATOM 0 H HIS A 98 -10.006 -6.057 5.199 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.578 -4.510 7.616 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.275 -5.792 6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.085 -4.484 7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.891 -5.286 9.867 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -7.970 -9.348 9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.116 -7.636 10.973 1.00 0.00 H new ATOM 1327 N SER A 99 -9.026 -2.514 6.178 1.00 0.00 N ATOM 1328 CA SER A 99 -8.991 -1.337 5.316 1.00 0.00 C ATOM 1329 C SER A 99 -7.555 -0.872 5.097 1.00 0.00 C ATOM 1330 O SER A 99 -6.719 -0.969 5.995 1.00 0.00 O ATOM 1331 CB SER A 99 -9.818 -0.206 5.927 1.00 0.00 C ATOM 1332 OG SER A 99 -9.139 0.393 7.016 1.00 0.00 O ATOM 0 H SER A 99 -8.991 -2.306 7.176 1.00 0.00 H new ATOM 0 HA SER A 99 -9.420 -1.608 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.027 0.547 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.779 -0.595 6.264 1.00 0.00 H new ATOM 0 HG SER A 99 -9.689 1.114 7.387 1.00 0.00 H new ATOM 1338 N PHE A 100 -7.272 -0.372 3.898 1.00 0.00 N ATOM 1339 CA PHE A 100 -5.930 0.100 3.569 1.00 0.00 C ATOM 1340 C PHE A 100 -5.982 1.350 2.693 1.00 0.00 C ATOM 1341 O PHE A 100 -7.042 1.726 2.196 1.00 0.00 O ATOM 1342 CB PHE A 100 -5.151 -0.999 2.850 1.00 0.00 C ATOM 1343 CG PHE A 100 -4.575 -2.035 3.771 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -5.318 -3.145 4.140 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -3.288 -1.899 4.267 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -4.789 -4.101 4.985 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -2.753 -2.852 5.113 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.504 -3.954 5.473 1.00 0.00 C ATOM 0 H PHE A 100 -7.950 -0.283 3.141 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.426 0.356 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.810 -1.489 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -4.342 -0.544 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -6.323 -3.264 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.697 -1.039 3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.378 -4.962 5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.749 -2.735 5.492 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.088 -4.699 6.135 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.827 1.986 2.498 1.00 0.00 N ATOM 1359 CA GLY A 101 -4.775 3.179 1.671 1.00 0.00 C ATOM 1360 C GLY A 101 -3.919 4.285 2.254 1.00 0.00 C ATOM 1361 O GLY A 101 -3.491 4.221 3.406 1.00 0.00 O ATOM 0 H GLY A 101 -3.933 1.698 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.389 2.912 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.788 3.554 1.525 1.00 0.00 H new ATOM 1365 N VAL A 102 -3.688 5.308 1.441 1.00 0.00 N ATOM 1366 CA VAL A 102 -2.896 6.468 1.836 1.00 0.00 C ATOM 1367 C VAL A 102 -3.758 7.725 1.759 1.00 0.00 C ATOM 1368 O VAL A 102 -4.179 8.129 0.676 1.00 0.00 O ATOM 1369 CB VAL A 102 -1.644 6.649 0.937 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -0.372 6.586 1.765 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -1.599 5.602 -0.169 1.00 0.00 C ATOM 0 H VAL A 102 -4.045 5.358 0.487 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.555 6.303 2.858 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.714 7.633 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.493 6.715 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.385 7.379 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.310 5.619 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.710 5.757 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.566 4.606 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.489 5.693 -0.792 1.00 0.00 H new ATOM 1381 N ARG A 103 -4.046 8.327 2.909 1.00 0.00 N ATOM 1382 CA ARG A 103 -4.892 9.517 2.947 1.00 0.00 C ATOM 1383 C ARG A 103 -4.145 10.746 3.455 1.00 0.00 C ATOM 1384 O ARG A 103 -2.958 10.688 3.773 1.00 0.00 O ATOM 1385 CB ARG A 103 -6.132 9.256 3.812 1.00 0.00 C ATOM 1386 CG ARG A 103 -5.923 9.520 5.297 1.00 0.00 C ATOM 1387 CD ARG A 103 -6.520 10.857 5.711 1.00 0.00 C ATOM 1388 NE ARG A 103 -7.074 10.818 7.062 1.00 0.00 N ATOM 1389 CZ ARG A 103 -7.942 11.712 7.532 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -8.358 12.712 6.763 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -8.396 11.607 8.774 1.00 0.00 N ATOM 0 H ARG A 103 -3.710 8.015 3.820 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.199 9.728 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.949 9.882 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.443 8.220 3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.380 8.720 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.857 9.510 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.752 11.628 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.303 11.137 5.007 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.779 10.063 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.013 12.798 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.023 13.394 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.080 10.841 9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.061 12.292 9.134 1.00 0.00 H new ATOM 1405 N VAL A 104 -4.866 11.861 3.524 1.00 0.00 N ATOM 1406 CA VAL A 104 -4.302 13.121 3.990 1.00 0.00 C ATOM 1407 C VAL A 104 -5.351 13.937 4.737 1.00 0.00 C ATOM 1408 O VAL A 104 -6.410 14.249 4.194 1.00 0.00 O ATOM 1409 CB VAL A 104 -3.758 13.960 2.819 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -2.964 15.147 3.340 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -2.906 13.102 1.897 1.00 0.00 C ATOM 0 H VAL A 104 -5.850 11.916 3.260 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.480 12.876 4.662 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.602 14.340 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.587 15.729 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.609 15.774 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.126 14.790 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.531 13.712 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.066 12.690 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.510 12.287 1.497 1.00 0.00 H new ATOM 1421 N GLY A 105 -5.051 14.279 5.985 1.00 0.00 N ATOM 1422 CA GLY A 105 -5.981 15.056 6.784 1.00 0.00 C ATOM 1423 C GLY A 105 -5.309 16.212 7.496 1.00 0.00 C ATOM 1424 O GLY A 105 -4.145 16.517 7.234 1.00 0.00 O ATOM 0 H GLY A 105 -4.181 14.033 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.774 15.440 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.454 14.406 7.520 1.00 0.00 H new ATOM 1428 N SER A 106 -6.040 16.854 8.402 1.00 0.00 N ATOM 1429 CA SER A 106 -5.503 17.981 9.156 1.00 0.00 C ATOM 1430 C SER A 106 -4.269 17.560 9.945 1.00 0.00 C ATOM 1431 O SER A 106 -3.348 18.351 10.149 1.00 0.00 O ATOM 1432 CB SER A 106 -6.565 18.541 10.104 1.00 0.00 C ATOM 1433 OG SER A 106 -6.475 19.952 10.194 1.00 0.00 O ATOM 0 H SER A 106 -7.004 16.613 8.631 1.00 0.00 H new ATOM 0 HA SER A 106 -5.215 18.759 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.557 18.258 9.751 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.441 18.102 11.094 1.00 0.00 H new ATOM 0 HG SER A 106 -7.165 20.286 10.805 1.00 0.00 H new ATOM 1439 N SER A 107 -4.257 16.304 10.383 1.00 0.00 N ATOM 1440 CA SER A 107 -3.136 15.770 11.145 1.00 0.00 C ATOM 1441 C SER A 107 -1.877 15.712 10.285 1.00 0.00 C ATOM 1442 O SER A 107 -0.760 15.798 10.796 1.00 0.00 O ATOM 1443 CB SER A 107 -3.470 14.375 11.676 1.00 0.00 C ATOM 1444 OG SER A 107 -4.112 14.448 12.937 1.00 0.00 O ATOM 0 H SER A 107 -5.012 15.638 10.222 1.00 0.00 H new ATOM 0 HA SER A 107 -2.951 16.435 11.988 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.115 13.857 10.966 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.556 13.788 11.764 1.00 0.00 H new ATOM 0 HG SER A 107 -4.316 13.543 13.253 1.00 0.00 H new ATOM 1450 N ASP A 108 -2.068 15.566 8.977 1.00 0.00 N ATOM 1451 CA ASP A 108 -0.951 15.496 8.043 1.00 0.00 C ATOM 1452 C ASP A 108 -1.373 15.968 6.655 1.00 0.00 C ATOM 1453 O ASP A 108 -1.437 15.179 5.712 1.00 0.00 O ATOM 1454 CB ASP A 108 -0.412 14.067 7.969 1.00 0.00 C ATOM 1455 CG ASP A 108 0.376 13.681 9.205 1.00 0.00 C ATOM 1456 OD1 ASP A 108 1.503 14.193 9.374 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -0.133 12.867 10.003 1.00 0.00 O ATOM 0 H ASP A 108 -2.987 15.494 8.541 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.162 16.155 8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.244 13.374 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.225 13.967 7.090 1.00 0.00 H new ATOM 1462 N TRP A 109 -1.663 17.260 6.538 1.00 0.00 N ATOM 1463 CA TRP A 109 -2.081 17.836 5.264 1.00 0.00 C ATOM 1464 C TRP A 109 -0.930 17.840 4.262 1.00 0.00 C ATOM 1465 O TRP A 109 0.240 17.858 4.644 1.00 0.00 O ATOM 1466 CB TRP A 109 -2.604 19.259 5.465 1.00 0.00 C ATOM 1467 CG TRP A 109 -1.713 20.106 6.323 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -0.393 20.380 6.114 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -2.081 20.791 7.525 1.00 0.00 C ATOM 1470 NE1 TRP A 109 0.084 21.193 7.114 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -0.934 21.459 7.992 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -3.270 20.904 8.253 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -0.941 22.229 9.152 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -3.275 21.668 9.405 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -2.117 22.323 9.844 1.00 0.00 C ATOM 0 H TRP A 109 -1.616 17.927 7.308 1.00 0.00 H new ATOM 0 HA TRP A 109 -2.884 17.217 4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -2.719 19.736 4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -3.595 19.213 5.917 1.00 0.00 H new ATOM 0 HD1 TRP A 109 0.192 20.012 5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 109 1.040 21.541 7.190 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.168 20.404 7.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -0.049 22.734 9.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.187 21.762 9.976 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.154 22.914 10.747 1.00 0.00 H new ATOM 1486 N GLY A 110 -1.272 17.823 2.978 1.00 0.00 N ATOM 1487 CA GLY A 110 -0.261 17.826 1.938 1.00 0.00 C ATOM 1488 C GLY A 110 -0.652 16.973 0.748 1.00 0.00 C ATOM 1489 O GLY A 110 -1.791 16.518 0.650 1.00 0.00 O ATOM 0 H GLY A 110 -2.234 17.807 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.088 18.850 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.680 17.461 2.349 1.00 0.00 H new ATOM 1493 N TYR A 111 0.292 16.763 -0.163 1.00 0.00 N ATOM 1494 CA TYR A 111 0.037 15.965 -1.358 1.00 0.00 C ATOM 1495 C TYR A 111 1.021 14.804 -1.462 1.00 0.00 C ATOM 1496 O TYR A 111 2.155 14.892 -0.992 1.00 0.00 O ATOM 1497 CB TYR A 111 0.127 16.836 -2.621 1.00 0.00 C ATOM 1498 CG TYR A 111 0.607 18.250 -2.368 1.00 0.00 C ATOM 1499 CD1 TYR A 111 1.963 18.537 -2.263 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -0.297 19.298 -2.237 1.00 0.00 C ATOM 1501 CE1 TYR A 111 2.404 19.826 -2.033 1.00 0.00 C ATOM 1502 CE2 TYR A 111 0.137 20.590 -2.008 1.00 0.00 C ATOM 1503 CZ TYR A 111 1.488 20.848 -1.907 1.00 0.00 C ATOM 1504 OH TYR A 111 1.923 22.134 -1.680 1.00 0.00 O ATOM 0 H TYR A 111 1.240 17.134 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 111 -0.972 15.560 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.801 16.357 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.855 16.877 -3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.684 17.739 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -1.356 19.099 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.461 20.032 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -0.578 21.393 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 111 1.151 22.734 -1.617 1.00 0.00 H new ATOM 1514 N MET A 112 0.579 13.717 -2.087 1.00 0.00 N ATOM 1515 CA MET A 112 1.422 12.539 -2.262 1.00 0.00 C ATOM 1516 C MET A 112 0.850 11.607 -3.326 1.00 0.00 C ATOM 1517 O MET A 112 -0.364 11.476 -3.463 1.00 0.00 O ATOM 1518 CB MET A 112 1.579 11.786 -0.937 1.00 0.00 C ATOM 1519 CG MET A 112 2.416 10.520 -1.052 1.00 0.00 C ATOM 1520 SD MET A 112 1.633 9.081 -0.299 1.00 0.00 S ATOM 1521 CE MET A 112 2.552 7.755 -1.078 1.00 0.00 C ATOM 0 H MET A 112 -0.358 13.627 -2.481 1.00 0.00 H new ATOM 0 HA MET A 112 2.403 12.879 -2.594 1.00 0.00 H new ATOM 0 HB2 MET A 112 2.037 12.449 -0.204 1.00 0.00 H new ATOM 0 HB3 MET A 112 0.591 11.525 -0.557 1.00 0.00 H new ATOM 0 HG2 MET A 112 2.607 10.313 -2.105 1.00 0.00 H new ATOM 0 HG3 MET A 112 3.384 10.688 -0.580 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.927 6.864 -1.135 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.845 8.057 -2.083 1.00 0.00 H new ATOM 0 HE3 MET A 112 3.444 7.536 -0.491 1.00 0.00 H new ATOM 1531 N ASN A 113 1.737 10.955 -4.073 1.00 0.00 N ATOM 1532 CA ASN A 113 1.324 10.029 -5.119 1.00 0.00 C ATOM 1533 C ASN A 113 0.965 8.674 -4.524 1.00 0.00 C ATOM 1534 O ASN A 113 1.203 8.423 -3.343 1.00 0.00 O ATOM 1535 CB ASN A 113 2.442 9.864 -6.149 1.00 0.00 C ATOM 1536 CG ASN A 113 1.970 9.192 -7.425 1.00 0.00 C ATOM 1537 OD1 ASN A 113 2.582 8.236 -7.898 1.00 0.00 O ATOM 1538 ND2 ASN A 113 0.876 9.693 -7.988 1.00 0.00 N ATOM 0 H ASN A 113 2.747 11.052 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 113 0.442 10.439 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.855 10.843 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.249 9.277 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.512 9.283 -8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.400 10.487 -7.560 1.00 0.00 H new ATOM 1545 N VAL A 114 0.389 7.805 -5.342 1.00 0.00 N ATOM 1546 CA VAL A 114 -0.002 6.480 -4.892 1.00 0.00 C ATOM 1547 C VAL A 114 -0.037 5.499 -6.062 1.00 0.00 C ATOM 1548 O VAL A 114 -0.927 5.550 -6.905 1.00 0.00 O ATOM 1549 CB VAL A 114 -1.379 6.522 -4.198 1.00 0.00 C ATOM 1550 CG1 VAL A 114 -1.771 5.148 -3.685 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -1.368 7.535 -3.060 1.00 0.00 C ATOM 0 H VAL A 114 0.182 7.996 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 114 0.742 6.139 -4.172 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.122 6.832 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -2.746 5.205 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.821 4.449 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.028 4.802 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.346 7.553 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.610 7.253 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.139 8.525 -3.456 1.00 0.00 H new ATOM 1561 N HIS A 115 0.949 4.612 -6.109 1.00 0.00 N ATOM 1562 CA HIS A 115 1.048 3.621 -7.177 1.00 0.00 C ATOM 1563 C HIS A 115 0.265 2.373 -6.850 1.00 0.00 C ATOM 1564 O HIS A 115 -0.584 1.946 -7.633 1.00 0.00 O ATOM 1565 CB HIS A 115 2.513 3.263 -7.436 1.00 0.00 C ATOM 1566 CG HIS A 115 2.718 2.425 -8.660 1.00 0.00 C ATOM 1567 ND1 HIS A 115 3.101 1.101 -8.609 1.00 0.00 N ATOM 1568 CD2 HIS A 115 2.590 2.728 -9.974 1.00 0.00 C ATOM 1569 CE1 HIS A 115 3.201 0.626 -9.839 1.00 0.00 C ATOM 1570 NE2 HIS A 115 2.895 1.593 -10.684 1.00 0.00 N ATOM 0 H HIS A 115 1.696 4.558 -5.417 1.00 0.00 H new ATOM 0 HA HIS A 115 0.620 4.063 -8.077 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.091 4.182 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 115 2.906 2.730 -6.571 1.00 0.00 H new ATOM 0 HD2 HIS A 115 2.302 3.684 -10.386 1.00 0.00 H new ATOM 0 HE1 HIS A 115 3.485 -0.381 -10.107 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.887 1.510 -11.701 1.00 0.00 H new ATOM 1579 N SER A 116 0.557 1.770 -5.710 1.00 0.00 N ATOM 1580 CA SER A 116 -0.128 0.551 -5.332 1.00 0.00 C ATOM 1581 C SER A 116 0.308 0.067 -3.953 1.00 0.00 C ATOM 1582 O SER A 116 1.495 0.076 -3.621 1.00 0.00 O ATOM 1583 CB SER A 116 0.161 -0.508 -6.390 1.00 0.00 C ATOM 1584 OG SER A 116 -0.833 -1.518 -6.396 1.00 0.00 O ATOM 0 H SER A 116 1.253 2.100 -5.041 1.00 0.00 H new ATOM 0 HA SER A 116 -1.199 0.743 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 116 0.211 -0.039 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 116 1.136 -0.956 -6.201 1.00 0.00 H new ATOM 0 HG SER A 116 -0.656 -2.146 -7.127 1.00 0.00 H new ATOM 1590 N LEU A 117 -0.667 -0.362 -3.160 1.00 0.00 N ATOM 1591 CA LEU A 117 -0.406 -0.865 -1.819 1.00 0.00 C ATOM 1592 C LEU A 117 -0.087 -2.356 -1.879 1.00 0.00 C ATOM 1593 O LEU A 117 -0.954 -3.168 -2.202 1.00 0.00 O ATOM 1594 CB LEU A 117 -1.623 -0.619 -0.925 1.00 0.00 C ATOM 1595 CG LEU A 117 -1.380 0.304 0.271 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.944 1.693 0.007 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -1.991 -0.295 1.528 1.00 0.00 C ATOM 0 H LEU A 117 -1.652 -0.371 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 117 0.451 -0.338 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.421 -0.194 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.981 -1.580 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.305 0.402 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.759 2.331 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.460 2.122 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.017 1.622 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.812 0.371 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.064 -0.421 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.535 -1.265 1.727 1.00 0.00 H new ATOM 1609 N LYS A 118 1.160 -2.712 -1.590 1.00 0.00 N ATOM 1610 CA LYS A 118 1.572 -4.109 -1.640 1.00 0.00 C ATOM 1611 C LYS A 118 2.081 -4.610 -0.294 1.00 0.00 C ATOM 1612 O LYS A 118 2.942 -3.992 0.331 1.00 0.00 O ATOM 1613 CB LYS A 118 2.657 -4.311 -2.703 1.00 0.00 C ATOM 1614 CG LYS A 118 3.595 -3.123 -2.857 1.00 0.00 C ATOM 1615 CD LYS A 118 4.505 -3.283 -4.066 1.00 0.00 C ATOM 1616 CE LYS A 118 5.938 -3.575 -3.649 1.00 0.00 C ATOM 1617 NZ LYS A 118 6.712 -4.230 -4.740 1.00 0.00 N ATOM 0 H LYS A 118 1.896 -2.059 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 118 0.687 -4.689 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.243 -5.194 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 118 2.180 -4.512 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.011 -2.208 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.200 -3.017 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.136 -4.092 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.478 -2.374 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.429 -2.645 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.936 -4.218 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.683 -4.412 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.258 -5.130 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.736 -3.606 -5.572 1.00 0.00 H new ATOM 1631 N LEU A 119 1.554 -5.756 0.126 1.00 0.00 N ATOM 1632 CA LEU A 119 1.960 -6.381 1.379 1.00 0.00 C ATOM 1633 C LEU A 119 2.559 -7.754 1.087 1.00 0.00 C ATOM 1634 O LEU A 119 1.845 -8.684 0.711 1.00 0.00 O ATOM 1635 CB LEU A 119 0.767 -6.507 2.334 1.00 0.00 C ATOM 1636 CG LEU A 119 0.805 -5.566 3.547 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -0.460 -4.723 3.613 1.00 0.00 C ATOM 1638 CD2 LEU A 119 0.989 -6.356 4.837 1.00 0.00 C ATOM 0 H LEU A 119 0.840 -6.273 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 119 2.711 -5.756 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.149 -6.317 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 119 0.714 -7.535 2.692 1.00 0.00 H new ATOM 0 HG LEU A 119 1.658 -4.897 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -0.413 -4.063 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.546 -4.125 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.328 -5.376 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.013 -5.670 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.160 -7.053 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.926 -6.911 4.793 1.00 0.00 H new ATOM 1650 N GLU A 120 3.875 -7.869 1.230 1.00 0.00 N ATOM 1651 CA GLU A 120 4.563 -9.124 0.951 1.00 0.00 C ATOM 1652 C GLU A 120 4.857 -9.907 2.227 1.00 0.00 C ATOM 1653 O GLU A 120 5.029 -9.330 3.299 1.00 0.00 O ATOM 1654 CB GLU A 120 5.866 -8.852 0.196 1.00 0.00 C ATOM 1655 CG GLU A 120 6.349 -10.034 -0.628 1.00 0.00 C ATOM 1656 CD GLU A 120 7.300 -9.623 -1.734 1.00 0.00 C ATOM 1657 OE1 GLU A 120 7.104 -8.533 -2.313 1.00 0.00 O ATOM 1658 OE2 GLU A 120 8.242 -10.390 -2.023 1.00 0.00 O ATOM 0 H GLU A 120 4.485 -7.111 1.536 1.00 0.00 H new ATOM 0 HA GLU A 120 3.901 -9.731 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.723 -7.995 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.641 -8.578 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.846 -10.750 0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.490 -10.544 -1.063 1.00 0.00 H new ATOM 1665 N LEU A 121 4.920 -11.229 2.093 1.00 0.00 N ATOM 1666 CA LEU A 121 5.199 -12.110 3.225 1.00 0.00 C ATOM 1667 C LEU A 121 6.611 -11.876 3.757 1.00 0.00 C ATOM 1668 O LEU A 121 7.554 -11.711 2.983 1.00 0.00 O ATOM 1669 CB LEU A 121 5.038 -13.575 2.800 1.00 0.00 C ATOM 1670 CG LEU A 121 3.600 -14.108 2.775 1.00 0.00 C ATOM 1671 CD1 LEU A 121 3.181 -14.585 4.157 1.00 0.00 C ATOM 1672 CD2 LEU A 121 2.636 -13.048 2.265 1.00 0.00 C ATOM 0 H LEU A 121 4.781 -11.716 1.208 1.00 0.00 H new ATOM 0 HA LEU A 121 4.488 -11.885 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.467 -13.694 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.624 -14.197 3.477 1.00 0.00 H new ATOM 0 HG LEU A 121 3.567 -14.956 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.158 -14.959 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.847 -15.383 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.237 -13.755 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.623 -13.451 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.675 -12.176 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.918 -12.756 1.254 1.00 0.00 H new ATOM 1684 N LEU A 122 6.754 -11.871 5.081 1.00 0.00 N ATOM 1685 CA LEU A 122 8.058 -11.664 5.706 1.00 0.00 C ATOM 1686 C LEU A 122 8.717 -13.001 6.038 1.00 0.00 C ATOM 1687 O LEU A 122 9.510 -13.097 6.975 1.00 0.00 O ATOM 1688 CB LEU A 122 7.917 -10.822 6.982 1.00 0.00 C ATOM 1689 CG LEU A 122 8.179 -9.321 6.817 1.00 0.00 C ATOM 1690 CD1 LEU A 122 8.228 -8.636 8.174 1.00 0.00 C ATOM 1691 CD2 LEU A 122 9.474 -9.081 6.054 1.00 0.00 C ATOM 0 H LEU A 122 5.986 -12.007 5.739 1.00 0.00 H new ATOM 0 HA LEU A 122 8.690 -11.129 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.909 -10.956 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.605 -11.213 7.732 1.00 0.00 H new ATOM 0 HG LEU A 122 7.358 -8.893 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.415 -7.571 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 122 7.276 -8.775 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.028 -9.071 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.641 -8.009 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.306 -9.525 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.404 -9.537 5.066 1.00 0.00 H new ATOM 1703 N GLY A 123 8.385 -14.030 5.265 1.00 0.00 N ATOM 1704 CA GLY A 123 8.954 -15.346 5.497 1.00 0.00 C ATOM 1705 C GLY A 123 10.114 -15.651 4.570 1.00 0.00 C ATOM 1706 O GLY A 123 11.014 -14.828 4.399 1.00 0.00 O ATOM 0 H GLY A 123 7.733 -13.977 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 123 9.292 -15.414 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.179 -16.101 5.364 1.00 0.00 H new TER 1710 GLY A 123