USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 39 HIS : no HD1:sc= -5.13! C(o=-20!,f=-22!) USER MOD Set 1.2: A 86 HIS : no HE2:sc= -14.6! C(o=-20!,f=-29!) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.259 USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0106 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.96 K(o=-2,f=-0.56) USER MOD Single : A 4 THR OG1 : rot 37:sc= 0.817 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -146:sc= -3.82! (180deg=-5.13!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0771 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= -0.0633 X(o=-0.063,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc=-0.00434 (180deg=-0.669) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -4.45! C(o=-4.5!,f=-5.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -4.94! C(o=-4.9!,f=-5.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 71 SER OG : rot -130:sc= 0.743 USER MOD Single : A 72 THR OG1 : rot -110:sc= -0.119 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 78 THR OG1 : rot 16:sc= -0.349 USER MOD Single : A 79 TYR OH : rot 130:sc= -0.695 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 141:sc= -1.37 (180deg=-4.14!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.875 -7.789 15.240 1.00 10.00 N ATOM 2 CA ALA A 1 3.535 -6.536 14.588 1.00 10.00 C ATOM 3 C ALA A 1 3.644 -6.709 13.071 1.00 10.00 C ATOM 4 O ALA A 1 4.633 -7.245 12.573 1.00 10.00 O ATOM 5 CB ALA A 1 4.444 -5.424 15.113 1.00 10.00 C ATOM 0 H1 ALA A 1 4.457 -7.596 16.080 1.00 10.00 H new ATOM 0 H2 ALA A 1 3.004 -8.279 15.527 1.00 10.00 H new ATOM 0 H3 ALA A 1 4.408 -8.390 14.580 1.00 10.00 H new ATOM 0 HA ALA A 1 2.507 -6.252 14.815 1.00 10.00 H new ATOM 0 HB1 ALA A 1 4.189 -4.484 14.624 1.00 10.00 H new ATOM 0 HB2 ALA A 1 4.308 -5.321 16.190 1.00 10.00 H new ATOM 0 HB3 ALA A 1 5.484 -5.673 14.900 1.00 10.00 H new ATOM 11 N ASN A 2 2.613 -6.249 12.379 1.00 10.00 N ATOM 12 CA ASN A 2 2.579 -6.347 10.930 1.00 10.00 C ATOM 13 C ASN A 2 3.271 -5.123 10.325 1.00 10.00 C ATOM 14 O ASN A 2 3.342 -4.070 10.956 1.00 10.00 O ATOM 15 CB ASN A 2 1.140 -6.381 10.413 1.00 10.00 C ATOM 16 CG ASN A 2 0.292 -5.295 11.077 1.00 10.00 C ATOM 17 OD1 ASN A 2 -0.559 -5.557 11.909 1.00 10.00 O ATOM 18 ND2 ASN A 2 0.573 -4.062 10.663 1.00 10.00 N ATOM 0 H ASN A 2 1.794 -5.807 12.795 1.00 10.00 H new ATOM 0 HA ASN A 2 3.086 -7.268 10.642 1.00 10.00 H new ATOM 0 HB2 ASN A 2 1.135 -6.241 9.332 1.00 10.00 H new ATOM 0 HB3 ASN A 2 0.702 -7.360 10.610 1.00 10.00 H new ATOM 0 HD21 ASN A 2 0.062 -3.267 11.046 1.00 10.00 H new ATOM 0 HD22 ASN A 2 1.299 -3.912 9.962 1.00 10.00 H new ATOM 25 N ALA A 3 3.762 -5.303 9.108 1.00 10.00 N ATOM 26 CA ALA A 3 4.446 -4.226 8.410 1.00 10.00 C ATOM 27 C ALA A 3 3.409 -3.296 7.777 1.00 10.00 C ATOM 28 O ALA A 3 2.285 -3.711 7.499 1.00 10.00 O ATOM 29 CB ALA A 3 5.407 -4.818 7.376 1.00 10.00 C ATOM 0 H ALA A 3 3.700 -6.178 8.587 1.00 10.00 H new ATOM 0 HA ALA A 3 5.040 -3.633 9.105 1.00 10.00 H new ATOM 0 HB1 ALA A 3 5.920 -4.011 6.852 1.00 10.00 H new ATOM 0 HB2 ALA A 3 6.140 -5.448 7.880 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.846 -5.417 6.659 1.00 10.00 H new ATOM 35 N THR A 4 3.823 -2.056 7.569 1.00 10.00 N ATOM 36 CA THR A 4 2.944 -1.063 6.976 1.00 10.00 C ATOM 37 C THR A 4 3.748 -0.086 6.114 1.00 10.00 C ATOM 38 O THR A 4 4.972 -0.026 6.215 1.00 10.00 O ATOM 39 CB THR A 4 2.169 -0.381 8.104 1.00 10.00 C ATOM 40 OG1 THR A 4 1.193 0.408 7.428 1.00 10.00 O ATOM 41 CG2 THR A 4 3.016 0.643 8.861 1.00 10.00 C ATOM 0 H THR A 4 4.756 -1.715 7.801 1.00 10.00 H new ATOM 0 HA THR A 4 2.223 -1.526 6.302 1.00 10.00 H new ATOM 0 HB THR A 4 1.804 -1.136 8.800 1.00 10.00 H new ATOM 0 HG1 THR A 4 0.879 -0.071 6.633 1.00 10.00 H new ATOM 0 HG21 THR A 4 2.418 1.097 9.651 1.00 10.00 H new ATOM 0 HG22 THR A 4 3.881 0.146 9.301 1.00 10.00 H new ATOM 0 HG23 THR A 4 3.354 1.416 8.171 1.00 10.00 H new ATOM 49 N VAL A 5 3.026 0.656 5.288 1.00 10.00 N ATOM 50 CA VAL A 5 3.657 1.627 4.409 1.00 10.00 C ATOM 51 C VAL A 5 2.735 2.839 4.250 1.00 10.00 C ATOM 52 O VAL A 5 1.519 2.718 4.383 1.00 10.00 O ATOM 53 CB VAL A 5 4.017 0.971 3.074 1.00 10.00 C ATOM 54 CG1 VAL A 5 4.355 2.025 2.019 1.00 10.00 C ATOM 55 CG2 VAL A 5 5.169 -0.022 3.247 1.00 10.00 C ATOM 0 H VAL A 5 2.010 0.605 5.208 1.00 10.00 H new ATOM 0 HA VAL A 5 4.592 1.983 4.843 1.00 10.00 H new ATOM 0 HB VAL A 5 3.145 0.417 2.725 1.00 10.00 H new ATOM 0 HG11 VAL A 5 4.607 1.532 1.080 1.00 10.00 H new ATOM 0 HG12 VAL A 5 3.495 2.677 1.867 1.00 10.00 H new ATOM 0 HG13 VAL A 5 5.205 2.619 2.357 1.00 10.00 H new ATOM 0 HG21 VAL A 5 5.406 -0.475 2.284 1.00 10.00 H new ATOM 0 HG22 VAL A 5 6.046 0.501 3.628 1.00 10.00 H new ATOM 0 HG23 VAL A 5 4.876 -0.800 3.952 1.00 10.00 H new ATOM 65 N LYS A 6 3.351 3.977 3.967 1.00 10.00 N ATOM 66 CA LYS A 6 2.602 5.209 3.788 1.00 10.00 C ATOM 67 C LYS A 6 2.632 5.609 2.312 1.00 10.00 C ATOM 68 O LYS A 6 3.702 5.721 1.717 1.00 10.00 O ATOM 69 CB LYS A 6 3.124 6.296 4.731 1.00 10.00 C ATOM 70 CG LYS A 6 3.086 5.824 6.185 1.00 10.00 C ATOM 71 CD LYS A 6 2.600 6.940 7.112 1.00 10.00 C ATOM 72 CE LYS A 6 3.775 7.779 7.620 1.00 10.00 C ATOM 73 NZ LYS A 6 4.043 7.485 9.047 1.00 10.00 N ATOM 0 H LYS A 6 4.361 4.072 3.857 1.00 10.00 H new ATOM 0 HA LYS A 6 1.556 5.061 4.057 1.00 10.00 H new ATOM 0 HB2 LYS A 6 4.145 6.560 4.457 1.00 10.00 H new ATOM 0 HB3 LYS A 6 2.521 7.198 4.622 1.00 10.00 H new ATOM 0 HG2 LYS A 6 2.427 4.960 6.273 1.00 10.00 H new ATOM 0 HG3 LYS A 6 4.080 5.499 6.492 1.00 10.00 H new ATOM 0 HD2 LYS A 6 1.895 7.579 6.580 1.00 10.00 H new ATOM 0 HD3 LYS A 6 2.064 6.508 7.957 1.00 10.00 H new ATOM 0 HE2 LYS A 6 4.664 7.568 7.026 1.00 10.00 H new ATOM 0 HE3 LYS A 6 3.553 8.839 7.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 4.843 8.062 9.376 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 3.199 7.709 9.612 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 4.275 6.477 9.156 1.00 10.00 H new ATOM 87 N MET A 7 1.443 5.813 1.763 1.00 10.00 N ATOM 88 CA MET A 7 1.319 6.199 0.368 1.00 10.00 C ATOM 89 C MET A 7 1.863 7.610 0.138 1.00 10.00 C ATOM 90 O MET A 7 1.156 8.593 0.356 1.00 10.00 O ATOM 91 CB MET A 7 -0.151 6.143 -0.050 1.00 10.00 C ATOM 92 CG MET A 7 -0.744 4.756 0.212 1.00 10.00 C ATOM 93 SD MET A 7 -2.262 4.557 -0.706 1.00 10.00 S ATOM 94 CE MET A 7 -3.321 3.919 0.580 1.00 10.00 C ATOM 0 H MET A 7 0.557 5.718 2.260 1.00 10.00 H new ATOM 0 HA MET A 7 1.903 5.503 -0.234 1.00 10.00 H new ATOM 0 HB2 MET A 7 -0.718 6.894 0.500 1.00 10.00 H new ATOM 0 HB3 MET A 7 -0.241 6.387 -1.109 1.00 10.00 H new ATOM 0 HG2 MET A 7 -0.030 3.985 -0.079 1.00 10.00 H new ATOM 0 HG3 MET A 7 -0.934 4.628 1.278 1.00 10.00 H new ATOM 0 HE1 MET A 7 -4.029 3.210 0.150 1.00 10.00 H new ATOM 0 HE2 MET A 7 -2.715 3.415 1.333 1.00 10.00 H new ATOM 0 HE3 MET A 7 -3.867 4.741 1.043 1.00 10.00 H new ATOM 104 N GLY A 8 3.112 7.666 -0.297 1.00 10.00 N ATOM 105 CA GLY A 8 3.757 8.941 -0.559 1.00 10.00 C ATOM 106 C GLY A 8 4.629 9.366 0.625 1.00 10.00 C ATOM 107 O GLY A 8 4.599 8.737 1.681 1.00 10.00 O ATOM 0 H GLY A 8 3.695 6.848 -0.475 1.00 10.00 H new ATOM 0 HA2 GLY A 8 4.369 8.865 -1.458 1.00 10.00 H new ATOM 0 HA3 GLY A 8 3.001 9.703 -0.751 1.00 10.00 H new ATOM 111 N SER A 9 5.386 10.432 0.408 1.00 10.00 N ATOM 112 CA SER A 9 6.264 10.949 1.443 1.00 10.00 C ATOM 113 C SER A 9 5.452 11.736 2.475 1.00 10.00 C ATOM 114 O SER A 9 4.258 11.961 2.288 1.00 10.00 O ATOM 115 CB SER A 9 7.360 11.834 0.845 1.00 10.00 C ATOM 116 OG SER A 9 8.554 11.102 0.584 1.00 10.00 O ATOM 0 H SER A 9 5.409 10.951 -0.470 1.00 10.00 H new ATOM 0 HA SER A 9 6.745 10.104 1.936 1.00 10.00 H new ATOM 0 HB2 SER A 9 6.999 12.282 -0.081 1.00 10.00 H new ATOM 0 HB3 SER A 9 7.579 12.653 1.530 1.00 10.00 H new ATOM 0 HG SER A 9 9.228 11.702 0.202 1.00 10.00 H new ATOM 122 N ASP A 10 6.133 12.130 3.540 1.00 10.00 N ATOM 123 CA ASP A 10 5.489 12.885 4.601 1.00 10.00 C ATOM 124 C ASP A 10 5.507 14.373 4.244 1.00 10.00 C ATOM 125 O ASP A 10 4.928 15.193 4.955 1.00 10.00 O ATOM 126 CB ASP A 10 6.228 12.709 5.929 1.00 10.00 C ATOM 127 CG ASP A 10 5.443 11.967 7.012 1.00 10.00 C ATOM 128 OD1 ASP A 10 4.566 12.615 7.623 1.00 10.00 O ATOM 129 OD2 ASP A 10 5.737 10.767 7.205 1.00 10.00 O ATOM 0 H ASP A 10 7.124 11.941 3.691 1.00 10.00 H new ATOM 0 HA ASP A 10 4.468 12.518 4.705 1.00 10.00 H new ATOM 0 HB2 ASP A 10 7.157 12.171 5.742 1.00 10.00 H new ATOM 0 HB3 ASP A 10 6.501 13.694 6.309 1.00 10.00 H new ATOM 134 N SER A 11 6.179 14.678 3.143 1.00 10.00 N ATOM 135 CA SER A 11 6.279 16.053 2.685 1.00 10.00 C ATOM 136 C SER A 11 5.311 16.288 1.522 1.00 10.00 C ATOM 137 O SER A 11 4.473 17.188 1.581 1.00 10.00 O ATOM 138 CB SER A 11 7.710 16.388 2.258 1.00 10.00 C ATOM 139 OG SER A 11 7.983 17.783 2.355 1.00 10.00 O ATOM 0 H SER A 11 6.659 13.996 2.555 1.00 10.00 H new ATOM 0 HA SER A 11 6.011 16.710 3.513 1.00 10.00 H new ATOM 0 HB2 SER A 11 8.413 15.837 2.882 1.00 10.00 H new ATOM 0 HB3 SER A 11 7.869 16.058 1.231 1.00 10.00 H new ATOM 0 HG SER A 11 8.906 17.956 2.076 1.00 10.00 H new ATOM 145 N GLY A 12 5.457 15.464 0.495 1.00 10.00 N ATOM 146 CA GLY A 12 4.606 15.572 -0.678 1.00 10.00 C ATOM 147 C GLY A 12 5.320 15.044 -1.923 1.00 10.00 C ATOM 148 O GLY A 12 5.714 15.819 -2.792 1.00 10.00 O ATOM 0 H GLY A 12 6.152 14.719 0.451 1.00 10.00 H new ATOM 0 HA2 GLY A 12 3.685 15.011 -0.517 1.00 10.00 H new ATOM 0 HA3 GLY A 12 4.322 16.613 -0.831 1.00 10.00 H new ATOM 152 N ALA A 13 5.465 13.728 -1.970 1.00 10.00 N ATOM 153 CA ALA A 13 6.124 13.087 -3.095 1.00 10.00 C ATOM 154 C ALA A 13 5.263 11.922 -3.589 1.00 10.00 C ATOM 155 O ALA A 13 4.188 11.667 -3.048 1.00 10.00 O ATOM 156 CB ALA A 13 7.527 12.639 -2.677 1.00 10.00 C ATOM 0 H ALA A 13 5.137 13.088 -1.247 1.00 10.00 H new ATOM 0 HA ALA A 13 6.238 13.787 -3.923 1.00 10.00 H new ATOM 0 HB1 ALA A 13 8.022 12.158 -3.521 1.00 10.00 H new ATOM 0 HB2 ALA A 13 8.107 13.506 -2.362 1.00 10.00 H new ATOM 0 HB3 ALA A 13 7.452 11.933 -1.850 1.00 10.00 H new ATOM 162 N LEU A 14 5.770 11.247 -4.610 1.00 10.00 N ATOM 163 CA LEU A 14 5.060 10.116 -5.184 1.00 10.00 C ATOM 164 C LEU A 14 5.554 8.824 -4.530 1.00 10.00 C ATOM 165 O LEU A 14 4.780 8.108 -3.897 1.00 10.00 O ATOM 166 CB LEU A 14 5.187 10.121 -6.709 1.00 10.00 C ATOM 167 CG LEU A 14 3.908 9.813 -7.490 1.00 10.00 C ATOM 168 CD1 LEU A 14 2.915 10.972 -7.395 1.00 10.00 C ATOM 169 CD2 LEU A 14 4.225 9.447 -8.941 1.00 10.00 C ATOM 0 H LEU A 14 6.663 11.461 -5.054 1.00 10.00 H new ATOM 0 HA LEU A 14 3.993 10.191 -4.976 1.00 10.00 H new ATOM 0 HB2 LEU A 14 5.552 11.100 -7.020 1.00 10.00 H new ATOM 0 HB3 LEU A 14 5.947 9.393 -6.993 1.00 10.00 H new ATOM 0 HG LEU A 14 3.432 8.944 -7.036 1.00 10.00 H new ATOM 0 HD11 LEU A 14 2.015 10.727 -7.959 1.00 10.00 H new ATOM 0 HD12 LEU A 14 2.654 11.143 -6.351 1.00 10.00 H new ATOM 0 HD13 LEU A 14 3.368 11.874 -7.808 1.00 10.00 H new ATOM 0 HD21 LEU A 14 3.298 9.233 -9.473 1.00 10.00 H new ATOM 0 HD22 LEU A 14 4.736 10.280 -9.423 1.00 10.00 H new ATOM 0 HD23 LEU A 14 4.867 8.567 -8.962 1.00 10.00 H new ATOM 181 N VAL A 15 6.843 8.566 -4.705 1.00 10.00 N ATOM 182 CA VAL A 15 7.450 7.373 -4.140 1.00 10.00 C ATOM 183 C VAL A 15 6.943 7.177 -2.710 1.00 10.00 C ATOM 184 O VAL A 15 6.828 8.138 -1.951 1.00 10.00 O ATOM 185 CB VAL A 15 8.975 7.472 -4.226 1.00 10.00 C ATOM 186 CG1 VAL A 15 9.436 7.585 -5.679 1.00 10.00 C ATOM 187 CG2 VAL A 15 9.495 8.644 -3.392 1.00 10.00 C ATOM 0 H VAL A 15 7.483 9.163 -5.230 1.00 10.00 H new ATOM 0 HA VAL A 15 7.162 6.490 -4.711 1.00 10.00 H new ATOM 0 HB VAL A 15 9.395 6.555 -3.813 1.00 10.00 H new ATOM 0 HG11 VAL A 15 10.523 7.654 -5.711 1.00 10.00 H new ATOM 0 HG12 VAL A 15 9.112 6.704 -6.233 1.00 10.00 H new ATOM 0 HG13 VAL A 15 9.002 8.478 -6.130 1.00 10.00 H new ATOM 0 HG21 VAL A 15 10.581 8.692 -3.470 1.00 10.00 H new ATOM 0 HG22 VAL A 15 9.063 9.574 -3.762 1.00 10.00 H new ATOM 0 HG23 VAL A 15 9.212 8.502 -2.349 1.00 10.00 H new ATOM 197 N PHE A 16 6.654 5.925 -2.385 1.00 10.00 N ATOM 198 CA PHE A 16 6.162 5.591 -1.059 1.00 10.00 C ATOM 199 C PHE A 16 7.321 5.356 -0.087 1.00 10.00 C ATOM 200 O PHE A 16 8.392 4.906 -0.489 1.00 10.00 O ATOM 201 CB PHE A 16 5.357 4.297 -1.194 1.00 10.00 C ATOM 202 CG PHE A 16 3.931 4.503 -1.709 1.00 10.00 C ATOM 203 CD1 PHE A 16 3.622 5.610 -2.434 1.00 10.00 C ATOM 204 CD2 PHE A 16 2.971 3.577 -1.440 1.00 10.00 C ATOM 205 CE1 PHE A 16 2.300 5.802 -2.911 1.00 10.00 C ATOM 206 CE2 PHE A 16 1.647 3.768 -1.917 1.00 10.00 C ATOM 207 CZ PHE A 16 1.339 4.877 -2.642 1.00 10.00 C ATOM 0 H PHE A 16 6.751 5.130 -3.017 1.00 10.00 H new ATOM 0 HA PHE A 16 5.556 6.409 -0.670 1.00 10.00 H new ATOM 0 HB2 PHE A 16 5.883 3.623 -1.870 1.00 10.00 H new ATOM 0 HB3 PHE A 16 5.314 3.805 -0.222 1.00 10.00 H new ATOM 0 HD1 PHE A 16 4.384 6.345 -2.647 1.00 10.00 H new ATOM 0 HD2 PHE A 16 3.216 2.697 -0.864 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.056 6.682 -3.488 1.00 10.00 H new ATOM 0 HE2 PHE A 16 0.885 3.033 -1.704 1.00 10.00 H new ATOM 0 HZ PHE A 16 0.332 5.023 -3.004 1.00 10.00 H new ATOM 217 N GLU A 17 7.066 5.675 1.174 1.00 10.00 N ATOM 218 CA GLU A 17 8.075 5.506 2.206 1.00 10.00 C ATOM 219 C GLU A 17 7.438 4.959 3.485 1.00 10.00 C ATOM 220 O GLU A 17 6.435 5.489 3.959 1.00 10.00 O ATOM 221 CB GLU A 17 8.807 6.821 2.478 1.00 10.00 C ATOM 222 CG GLU A 17 10.005 6.600 3.405 1.00 10.00 C ATOM 223 CD GLU A 17 9.546 6.174 4.802 1.00 10.00 C ATOM 224 OE1 GLU A 17 8.685 6.889 5.357 1.00 10.00 O ATOM 225 OE2 GLU A 17 10.066 5.145 5.281 1.00 10.00 O ATOM 0 H GLU A 17 6.176 6.049 1.504 1.00 10.00 H new ATOM 0 HA GLU A 17 8.812 4.785 1.852 1.00 10.00 H new ATOM 0 HB2 GLU A 17 9.146 7.254 1.537 1.00 10.00 H new ATOM 0 HB3 GLU A 17 8.120 7.537 2.930 1.00 10.00 H new ATOM 0 HG2 GLU A 17 10.659 5.836 2.984 1.00 10.00 H new ATOM 0 HG3 GLU A 17 10.590 7.517 3.474 1.00 10.00 H new ATOM 232 N PRO A 18 8.064 3.875 4.020 1.00 10.00 N ATOM 233 CA PRO A 18 9.247 3.309 3.395 1.00 10.00 C ATOM 234 C PRO A 18 8.877 2.517 2.138 1.00 10.00 C ATOM 235 O PRO A 18 7.950 1.710 2.160 1.00 10.00 O ATOM 236 CB PRO A 18 9.887 2.449 4.471 1.00 10.00 C ATOM 237 CG PRO A 18 8.801 2.194 5.503 1.00 10.00 C ATOM 238 CD PRO A 18 7.662 3.165 5.230 1.00 10.00 C ATOM 0 HA PRO A 18 9.944 4.071 3.046 1.00 10.00 H new ATOM 0 HB2 PRO A 18 10.256 1.512 4.054 1.00 10.00 H new ATOM 0 HB3 PRO A 18 10.741 2.957 4.920 1.00 10.00 H new ATOM 0 HG2 PRO A 18 8.449 1.164 5.440 1.00 10.00 H new ATOM 0 HG3 PRO A 18 9.191 2.336 6.511 1.00 10.00 H new ATOM 0 HD2 PRO A 18 6.719 2.639 5.085 1.00 10.00 H new ATOM 0 HD3 PRO A 18 7.519 3.852 6.064 1.00 10.00 H new ATOM 246 N SER A 19 9.621 2.778 1.073 1.00 10.00 N ATOM 247 CA SER A 19 9.384 2.101 -0.191 1.00 10.00 C ATOM 248 C SER A 19 9.329 0.587 0.030 1.00 10.00 C ATOM 249 O SER A 19 8.367 -0.066 -0.367 1.00 10.00 O ATOM 250 CB SER A 19 10.464 2.449 -1.214 1.00 10.00 C ATOM 251 OG SER A 19 11.726 1.883 -0.873 1.00 10.00 O ATOM 0 H SER A 19 10.389 3.449 1.059 1.00 10.00 H new ATOM 0 HA SER A 19 8.426 2.440 -0.586 1.00 10.00 H new ATOM 0 HB2 SER A 19 10.160 2.091 -2.198 1.00 10.00 H new ATOM 0 HB3 SER A 19 10.560 3.532 -1.285 1.00 10.00 H new ATOM 0 HG SER A 19 12.388 2.127 -1.553 1.00 10.00 H new ATOM 257 N THR A 20 10.375 0.076 0.662 1.00 10.00 N ATOM 258 CA THR A 20 10.458 -1.348 0.940 1.00 10.00 C ATOM 259 C THR A 20 10.205 -1.618 2.425 1.00 10.00 C ATOM 260 O THR A 20 10.645 -0.852 3.283 1.00 10.00 O ATOM 261 CB THR A 20 11.823 -1.844 0.457 1.00 10.00 C ATOM 262 OG1 THR A 20 11.884 -1.423 -0.903 1.00 10.00 O ATOM 263 CG2 THR A 20 11.896 -3.370 0.379 1.00 10.00 C ATOM 0 H THR A 20 11.172 0.622 0.989 1.00 10.00 H new ATOM 0 HA THR A 20 9.686 -1.901 0.405 1.00 10.00 H new ATOM 0 HB THR A 20 12.601 -1.477 1.127 1.00 10.00 H new ATOM 0 HG1 THR A 20 12.738 -1.702 -1.294 1.00 10.00 H new ATOM 0 HG21 THR A 20 12.885 -3.670 0.031 1.00 10.00 H new ATOM 0 HG22 THR A 20 11.715 -3.794 1.367 1.00 10.00 H new ATOM 0 HG23 THR A 20 11.141 -3.735 -0.317 1.00 10.00 H new ATOM 271 N VAL A 21 9.496 -2.707 2.683 1.00 10.00 N ATOM 272 CA VAL A 21 9.179 -3.086 4.049 1.00 10.00 C ATOM 273 C VAL A 21 9.178 -4.613 4.162 1.00 10.00 C ATOM 274 O VAL A 21 8.724 -5.306 3.254 1.00 10.00 O ATOM 275 CB VAL A 21 7.852 -2.456 4.472 1.00 10.00 C ATOM 276 CG1 VAL A 21 7.920 -0.929 4.398 1.00 10.00 C ATOM 277 CG2 VAL A 21 6.695 -2.994 3.627 1.00 10.00 C ATOM 0 H VAL A 21 9.132 -3.339 1.969 1.00 10.00 H new ATOM 0 HA VAL A 21 9.936 -2.708 4.736 1.00 10.00 H new ATOM 0 HB VAL A 21 7.667 -2.733 5.510 1.00 10.00 H new ATOM 0 HG11 VAL A 21 6.963 -0.507 4.704 1.00 10.00 H new ATOM 0 HG12 VAL A 21 8.705 -0.567 5.062 1.00 10.00 H new ATOM 0 HG13 VAL A 21 8.141 -0.624 3.375 1.00 10.00 H new ATOM 0 HG21 VAL A 21 5.763 -2.530 3.949 1.00 10.00 H new ATOM 0 HG22 VAL A 21 6.873 -2.762 2.577 1.00 10.00 H new ATOM 0 HG23 VAL A 21 6.624 -4.074 3.753 1.00 10.00 H new ATOM 287 N THR A 22 9.694 -5.091 5.286 1.00 10.00 N ATOM 288 CA THR A 22 9.761 -6.522 5.530 1.00 10.00 C ATOM 289 C THR A 22 8.531 -6.986 6.314 1.00 10.00 C ATOM 290 O THR A 22 8.068 -6.293 7.218 1.00 10.00 O ATOM 291 CB THR A 22 11.082 -6.820 6.240 1.00 10.00 C ATOM 292 OG1 THR A 22 11.305 -5.672 7.055 1.00 10.00 O ATOM 293 CG2 THR A 22 12.272 -6.833 5.280 1.00 10.00 C ATOM 0 H THR A 22 10.069 -4.512 6.037 1.00 10.00 H new ATOM 0 HA THR A 22 9.745 -7.084 4.596 1.00 10.00 H new ATOM 0 HB THR A 22 11.013 -7.783 6.745 1.00 10.00 H new ATOM 0 HG1 THR A 22 12.142 -5.782 7.553 1.00 10.00 H new ATOM 0 HG21 THR A 22 13.185 -7.049 5.835 1.00 10.00 H new ATOM 0 HG22 THR A 22 12.119 -7.600 4.521 1.00 10.00 H new ATOM 0 HG23 THR A 22 12.362 -5.859 4.799 1.00 10.00 H new ATOM 301 N ILE A 23 8.035 -8.156 5.936 1.00 10.00 N ATOM 302 CA ILE A 23 6.869 -8.721 6.592 1.00 10.00 C ATOM 303 C ILE A 23 7.107 -10.209 6.856 1.00 10.00 C ATOM 304 O ILE A 23 7.872 -10.855 6.140 1.00 10.00 O ATOM 305 CB ILE A 23 5.605 -8.435 5.776 1.00 10.00 C ATOM 306 CG1 ILE A 23 4.374 -9.054 6.440 1.00 10.00 C ATOM 307 CG2 ILE A 23 5.771 -8.899 4.328 1.00 10.00 C ATOM 308 CD1 ILE A 23 3.168 -9.021 5.498 1.00 10.00 C ATOM 0 H ILE A 23 8.420 -8.727 5.184 1.00 10.00 H new ATOM 0 HA ILE A 23 6.710 -8.247 7.561 1.00 10.00 H new ATOM 0 HB ILE A 23 5.449 -7.356 5.752 1.00 10.00 H new ATOM 0 HG12 ILE A 23 4.589 -10.084 6.725 1.00 10.00 H new ATOM 0 HG13 ILE A 23 4.139 -8.512 7.356 1.00 10.00 H new ATOM 0 HG21 ILE A 23 4.859 -8.684 3.770 1.00 10.00 H new ATOM 0 HG22 ILE A 23 6.609 -8.372 3.871 1.00 10.00 H new ATOM 0 HG23 ILE A 23 5.963 -9.972 4.309 1.00 10.00 H new ATOM 0 HD11 ILE A 23 2.306 -9.467 5.994 1.00 10.00 H new ATOM 0 HD12 ILE A 23 2.940 -7.988 5.234 1.00 10.00 H new ATOM 0 HD13 ILE A 23 3.397 -9.584 4.593 1.00 10.00 H new ATOM 320 N LYS A 24 6.438 -10.709 7.883 1.00 10.00 N ATOM 321 CA LYS A 24 6.569 -12.109 8.250 1.00 10.00 C ATOM 322 C LYS A 24 5.505 -12.926 7.513 1.00 10.00 C ATOM 323 O LYS A 24 4.551 -12.366 6.973 1.00 10.00 O ATOM 324 CB LYS A 24 6.525 -12.271 9.770 1.00 10.00 C ATOM 325 CG LYS A 24 7.923 -12.140 10.377 1.00 10.00 C ATOM 326 CD LYS A 24 8.460 -13.503 10.818 1.00 10.00 C ATOM 327 CE LYS A 24 9.230 -13.388 12.136 1.00 10.00 C ATOM 328 NZ LYS A 24 9.221 -14.681 12.857 1.00 10.00 N ATOM 0 H LYS A 24 5.804 -10.171 8.473 1.00 10.00 H new ATOM 0 HA LYS A 24 7.540 -12.495 7.940 1.00 10.00 H new ATOM 0 HB2 LYS A 24 5.866 -11.517 10.201 1.00 10.00 H new ATOM 0 HB3 LYS A 24 6.105 -13.244 10.023 1.00 10.00 H new ATOM 0 HG2 LYS A 24 8.600 -11.697 9.647 1.00 10.00 H new ATOM 0 HG3 LYS A 24 7.890 -11.464 11.232 1.00 10.00 H new ATOM 0 HD2 LYS A 24 7.633 -14.203 10.936 1.00 10.00 H new ATOM 0 HD3 LYS A 24 9.113 -13.908 10.045 1.00 10.00 H new ATOM 0 HE2 LYS A 24 10.257 -13.083 11.938 1.00 10.00 H new ATOM 0 HE3 LYS A 24 8.782 -12.614 12.759 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 9.748 -14.585 13.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 8.240 -14.957 13.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 9.669 -15.411 12.267 1.00 10.00 H new ATOM 342 N ALA A 25 5.703 -14.235 7.515 1.00 10.00 N ATOM 343 CA ALA A 25 4.773 -15.135 6.854 1.00 10.00 C ATOM 344 C ALA A 25 3.487 -15.229 7.679 1.00 10.00 C ATOM 345 O ALA A 25 3.520 -15.633 8.841 1.00 10.00 O ATOM 346 CB ALA A 25 5.437 -16.498 6.652 1.00 10.00 C ATOM 0 H ALA A 25 6.495 -14.695 7.964 1.00 10.00 H new ATOM 0 HA ALA A 25 4.505 -14.754 5.868 1.00 10.00 H new ATOM 0 HB1 ALA A 25 4.739 -17.173 6.156 1.00 10.00 H new ATOM 0 HB2 ALA A 25 6.328 -16.381 6.036 1.00 10.00 H new ATOM 0 HB3 ALA A 25 5.717 -16.913 7.620 1.00 10.00 H new ATOM 352 N GLY A 26 2.387 -14.849 7.047 1.00 10.00 N ATOM 353 CA GLY A 26 1.094 -14.887 7.707 1.00 10.00 C ATOM 354 C GLY A 26 0.624 -13.475 8.070 1.00 10.00 C ATOM 355 O GLY A 26 -0.567 -13.249 8.278 1.00 10.00 O ATOM 0 H GLY A 26 2.365 -14.513 6.084 1.00 10.00 H new ATOM 0 HA2 GLY A 26 0.362 -15.362 7.054 1.00 10.00 H new ATOM 0 HA3 GLY A 26 1.159 -15.496 8.609 1.00 10.00 H new ATOM 359 N GLU A 27 1.584 -12.565 8.135 1.00 10.00 N ATOM 360 CA GLU A 27 1.281 -11.183 8.468 1.00 10.00 C ATOM 361 C GLU A 27 0.640 -10.476 7.272 1.00 10.00 C ATOM 362 O GLU A 27 0.464 -11.076 6.214 1.00 10.00 O ATOM 363 CB GLU A 27 2.539 -10.445 8.932 1.00 10.00 C ATOM 364 CG GLU A 27 2.924 -10.857 10.354 1.00 10.00 C ATOM 365 CD GLU A 27 3.223 -9.631 11.219 1.00 10.00 C ATOM 366 OE1 GLU A 27 4.387 -9.179 11.180 1.00 10.00 O ATOM 367 OE2 GLU A 27 2.280 -9.174 11.901 1.00 10.00 O ATOM 0 H GLU A 27 2.571 -12.757 7.963 1.00 10.00 H new ATOM 0 HA GLU A 27 0.568 -11.175 9.293 1.00 10.00 H new ATOM 0 HB2 GLU A 27 3.363 -10.660 8.252 1.00 10.00 H new ATOM 0 HB3 GLU A 27 2.368 -9.369 8.895 1.00 10.00 H new ATOM 0 HG2 GLU A 27 2.114 -11.433 10.801 1.00 10.00 H new ATOM 0 HG3 GLU A 27 3.798 -11.507 10.324 1.00 10.00 H new ATOM 374 N GLU A 28 0.308 -9.210 7.482 1.00 10.00 N ATOM 375 CA GLU A 28 -0.309 -8.415 6.434 1.00 10.00 C ATOM 376 C GLU A 28 0.366 -7.046 6.339 1.00 10.00 C ATOM 377 O GLU A 28 1.277 -6.743 7.109 1.00 10.00 O ATOM 378 CB GLU A 28 -1.814 -8.269 6.672 1.00 10.00 C ATOM 379 CG GLU A 28 -2.162 -8.503 8.144 1.00 10.00 C ATOM 380 CD GLU A 28 -3.674 -8.440 8.367 1.00 10.00 C ATOM 381 OE1 GLU A 28 -4.196 -7.305 8.395 1.00 10.00 O ATOM 382 OE2 GLU A 28 -4.273 -9.529 8.504 1.00 10.00 O ATOM 0 H GLU A 28 0.455 -8.716 8.362 1.00 10.00 H new ATOM 0 HA GLU A 28 -0.172 -8.932 5.484 1.00 10.00 H new ATOM 0 HB2 GLU A 28 -2.138 -7.273 6.372 1.00 10.00 H new ATOM 0 HB3 GLU A 28 -2.355 -8.981 6.049 1.00 10.00 H new ATOM 0 HG2 GLU A 28 -1.784 -9.475 8.460 1.00 10.00 H new ATOM 0 HG3 GLU A 28 -1.668 -7.753 8.762 1.00 10.00 H new ATOM 389 N VAL A 29 -0.104 -6.254 5.387 1.00 10.00 N ATOM 390 CA VAL A 29 0.444 -4.925 5.181 1.00 10.00 C ATOM 391 C VAL A 29 -0.698 -3.905 5.158 1.00 10.00 C ATOM 392 O VAL A 29 -1.711 -4.117 4.493 1.00 10.00 O ATOM 393 CB VAL A 29 1.292 -4.900 3.908 1.00 10.00 C ATOM 394 CG1 VAL A 29 1.501 -3.465 3.416 1.00 10.00 C ATOM 395 CG2 VAL A 29 2.632 -5.605 4.129 1.00 10.00 C ATOM 0 H VAL A 29 -0.859 -6.508 4.749 1.00 10.00 H new ATOM 0 HA VAL A 29 1.107 -4.654 6.003 1.00 10.00 H new ATOM 0 HB VAL A 29 0.751 -5.444 3.134 1.00 10.00 H new ATOM 0 HG11 VAL A 29 2.107 -3.476 2.510 1.00 10.00 H new ATOM 0 HG12 VAL A 29 0.534 -3.010 3.201 1.00 10.00 H new ATOM 0 HG13 VAL A 29 2.011 -2.887 4.187 1.00 10.00 H new ATOM 0 HG21 VAL A 29 3.216 -5.573 3.209 1.00 10.00 H new ATOM 0 HG22 VAL A 29 3.181 -5.102 4.925 1.00 10.00 H new ATOM 0 HG23 VAL A 29 2.455 -6.643 4.411 1.00 10.00 H new ATOM 405 N LYS A 30 -0.495 -2.822 5.893 1.00 10.00 N ATOM 406 CA LYS A 30 -1.495 -1.770 5.966 1.00 10.00 C ATOM 407 C LYS A 30 -1.033 -0.574 5.131 1.00 10.00 C ATOM 408 O LYS A 30 0.032 -0.013 5.382 1.00 10.00 O ATOM 409 CB LYS A 30 -1.801 -1.421 7.424 1.00 10.00 C ATOM 410 CG LYS A 30 -3.106 -0.629 7.538 1.00 10.00 C ATOM 411 CD LYS A 30 -2.983 0.482 8.582 1.00 10.00 C ATOM 412 CE LYS A 30 -3.244 -0.059 9.989 1.00 10.00 C ATOM 413 NZ LYS A 30 -4.258 0.767 10.682 1.00 10.00 N ATOM 0 H LYS A 30 0.347 -2.650 6.443 1.00 10.00 H new ATOM 0 HA LYS A 30 -2.438 -2.111 5.540 1.00 10.00 H new ATOM 0 HB2 LYS A 30 -1.874 -2.336 8.013 1.00 10.00 H new ATOM 0 HB3 LYS A 30 -0.980 -0.838 7.842 1.00 10.00 H new ATOM 0 HG2 LYS A 30 -3.359 -0.197 6.570 1.00 10.00 H new ATOM 0 HG3 LYS A 30 -3.920 -1.300 7.810 1.00 10.00 H new ATOM 0 HD2 LYS A 30 -1.986 0.921 8.536 1.00 10.00 H new ATOM 0 HD3 LYS A 30 -3.693 1.278 8.357 1.00 10.00 H new ATOM 0 HE2 LYS A 30 -3.586 -1.092 9.930 1.00 10.00 H new ATOM 0 HE3 LYS A 30 -2.316 -0.063 10.561 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 -4.423 0.386 11.636 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 -3.917 1.747 10.755 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 -5.147 0.749 10.143 1.00 10.00 H new ATOM 427 N TRP A 31 -1.858 -0.219 4.157 1.00 10.00 N ATOM 428 CA TRP A 31 -1.546 0.900 3.284 1.00 10.00 C ATOM 429 C TRP A 31 -2.461 2.065 3.665 1.00 10.00 C ATOM 430 O TRP A 31 -3.622 2.104 3.262 1.00 10.00 O ATOM 431 CB TRP A 31 -1.670 0.497 1.813 1.00 10.00 C ATOM 432 CG TRP A 31 -0.484 -0.313 1.287 1.00 10.00 C ATOM 433 CD1 TRP A 31 0.668 0.144 0.778 1.00 10.00 C ATOM 434 CD2 TRP A 31 -0.383 -1.752 1.238 1.00 10.00 C ATOM 435 NE1 TRP A 31 1.503 -0.889 0.407 1.00 10.00 N ATOM 436 CE2 TRP A 31 0.844 -2.079 0.695 1.00 10.00 C ATOM 437 CE3 TRP A 31 -1.293 -2.744 1.638 1.00 10.00 C ATOM 438 CZ2 TRP A 31 1.269 -3.400 0.504 1.00 10.00 C ATOM 439 CZ3 TRP A 31 -0.854 -4.058 1.440 1.00 10.00 C ATOM 440 CH2 TRP A 31 0.376 -4.405 0.895 1.00 10.00 C ATOM 0 H TRP A 31 -2.742 -0.686 3.953 1.00 10.00 H new ATOM 0 HA TRP A 31 -0.510 1.215 3.413 1.00 10.00 H new ATOM 0 HB2 TRP A 31 -2.581 -0.086 1.682 1.00 10.00 H new ATOM 0 HB3 TRP A 31 -1.778 1.397 1.208 1.00 10.00 H new ATOM 0 HD1 TRP A 31 0.912 1.191 0.672 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.432 -0.797 -0.003 1.00 10.00 H new ATOM 0 HE3 TRP A 31 -2.257 -2.511 2.065 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.234 -3.631 0.078 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 -1.518 -4.858 1.731 1.00 10.00 H new ATOM 0 HH2 TRP A 31 0.642 -5.445 0.774 1.00 10.00 H new ATOM 451 N VAL A 32 -1.902 2.985 4.437 1.00 10.00 N ATOM 452 CA VAL A 32 -2.654 4.149 4.877 1.00 10.00 C ATOM 453 C VAL A 32 -2.516 5.263 3.836 1.00 10.00 C ATOM 454 O VAL A 32 -1.409 5.583 3.407 1.00 10.00 O ATOM 455 CB VAL A 32 -2.191 4.574 6.272 1.00 10.00 C ATOM 456 CG1 VAL A 32 -2.903 5.853 6.719 1.00 10.00 C ATOM 457 CG2 VAL A 32 -2.402 3.447 7.285 1.00 10.00 C ATOM 0 H VAL A 32 -0.938 2.949 4.769 1.00 10.00 H new ATOM 0 HA VAL A 32 -3.714 3.910 4.960 1.00 10.00 H new ATOM 0 HB VAL A 32 -1.123 4.785 6.222 1.00 10.00 H new ATOM 0 HG11 VAL A 32 -2.556 6.134 7.713 1.00 10.00 H new ATOM 0 HG12 VAL A 32 -2.682 6.657 6.017 1.00 10.00 H new ATOM 0 HG13 VAL A 32 -3.979 5.680 6.745 1.00 10.00 H new ATOM 0 HG21 VAL A 32 -2.065 3.774 8.269 1.00 10.00 H new ATOM 0 HG22 VAL A 32 -3.461 3.192 7.330 1.00 10.00 H new ATOM 0 HG23 VAL A 32 -1.831 2.571 6.979 1.00 10.00 H new ATOM 467 N ASN A 33 -3.657 5.823 3.461 1.00 10.00 N ATOM 468 CA ASN A 33 -3.678 6.895 2.480 1.00 10.00 C ATOM 469 C ASN A 33 -3.281 8.209 3.157 1.00 10.00 C ATOM 470 O ASN A 33 -4.103 8.842 3.817 1.00 10.00 O ATOM 471 CB ASN A 33 -5.076 7.071 1.887 1.00 10.00 C ATOM 472 CG ASN A 33 -5.046 8.010 0.678 1.00 10.00 C ATOM 473 OD1 ASN A 33 -4.021 8.222 0.051 1.00 10.00 O ATOM 474 ND2 ASN A 33 -6.222 8.558 0.391 1.00 10.00 N ATOM 0 H ASN A 33 -4.574 5.554 3.819 1.00 10.00 H new ATOM 0 HA ASN A 33 -2.979 6.638 1.684 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.473 6.101 1.588 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.749 7.471 2.646 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -6.307 9.200 -0.397 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -7.040 8.336 0.958 1.00 10.00 H new ATOM 481 N ASN A 34 -2.024 8.578 2.969 1.00 10.00 N ATOM 482 CA ASN A 34 -1.509 9.805 3.552 1.00 10.00 C ATOM 483 C ASN A 34 -1.996 10.999 2.729 1.00 10.00 C ATOM 484 O ASN A 34 -2.730 11.848 3.235 1.00 10.00 O ATOM 485 CB ASN A 34 0.020 9.819 3.546 1.00 10.00 C ATOM 486 CG ASN A 34 0.559 11.144 4.090 1.00 10.00 C ATOM 487 OD1 ASN A 34 -0.040 11.786 4.937 1.00 10.00 O ATOM 488 ND2 ASN A 34 1.720 11.515 3.557 1.00 10.00 N ATOM 0 H ASN A 34 -1.346 8.049 2.421 1.00 10.00 H new ATOM 0 HA ASN A 34 -1.866 9.865 4.580 1.00 10.00 H new ATOM 0 HB2 ASN A 34 0.397 8.994 4.150 1.00 10.00 H new ATOM 0 HB3 ASN A 34 0.385 9.664 2.531 1.00 10.00 H new ATOM 0 HD21 ASN A 34 2.163 12.385 3.854 1.00 10.00 H new ATOM 0 HD22 ASN A 34 2.168 10.930 2.852 1.00 10.00 H new ATOM 495 N LYS A 35 -1.568 11.029 1.477 1.00 10.00 N ATOM 496 CA LYS A 35 -1.950 12.106 0.579 1.00 10.00 C ATOM 497 C LYS A 35 -1.771 11.646 -0.868 1.00 10.00 C ATOM 498 O LYS A 35 -1.573 10.459 -1.126 1.00 10.00 O ATOM 499 CB LYS A 35 -1.182 13.385 0.919 1.00 10.00 C ATOM 500 CG LYS A 35 -2.090 14.402 1.613 1.00 10.00 C ATOM 501 CD LYS A 35 -2.533 15.496 0.640 1.00 10.00 C ATOM 502 CE LYS A 35 -3.926 15.200 0.080 1.00 10.00 C ATOM 503 NZ LYS A 35 -3.939 15.361 -1.392 1.00 10.00 N ATOM 0 H LYS A 35 -0.959 10.324 1.062 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.004 12.352 0.706 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.338 13.145 1.565 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.772 13.820 0.008 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.966 13.895 2.019 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.562 14.851 2.455 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -2.539 16.460 1.149 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -1.817 15.572 -0.178 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -4.222 14.184 0.343 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -4.656 15.872 0.532 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -4.859 15.742 -1.691 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 -3.184 16.017 -1.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 -3.783 14.437 -1.844 1.00 10.00 H new ATOM 517 N LEU A 36 -1.847 12.609 -1.775 1.00 10.00 N ATOM 518 CA LEU A 36 -1.694 12.317 -3.191 1.00 10.00 C ATOM 519 C LEU A 36 -2.802 11.359 -3.630 1.00 10.00 C ATOM 520 O LEU A 36 -2.531 10.212 -3.986 1.00 10.00 O ATOM 521 CB LEU A 36 -0.283 11.802 -3.484 1.00 10.00 C ATOM 522 CG LEU A 36 0.736 12.855 -3.926 1.00 10.00 C ATOM 523 CD1 LEU A 36 0.219 13.647 -5.128 1.00 10.00 C ATOM 524 CD2 LEU A 36 1.123 13.767 -2.761 1.00 10.00 C ATOM 0 H LEU A 36 -2.012 13.592 -1.557 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.804 13.226 -3.782 1.00 10.00 H new ATOM 0 HB2 LEU A 36 0.097 11.311 -2.588 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -0.349 11.040 -4.261 1.00 10.00 H new ATOM 0 HG LEU A 36 1.642 12.341 -4.246 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.962 14.388 -5.422 1.00 10.00 H new ATOM 0 HD12 LEU A 36 0.036 12.967 -5.960 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -0.710 14.151 -4.860 1.00 10.00 H new ATOM 0 HD21 LEU A 36 1.848 14.506 -3.103 1.00 10.00 H new ATOM 0 HD22 LEU A 36 0.235 14.276 -2.387 1.00 10.00 H new ATOM 0 HD23 LEU A 36 1.562 13.170 -1.962 1.00 10.00 H new ATOM 536 N SER A 37 -4.027 11.862 -3.595 1.00 10.00 N ATOM 537 CA SER A 37 -5.177 11.065 -3.984 1.00 10.00 C ATOM 538 C SER A 37 -5.581 11.399 -5.422 1.00 10.00 C ATOM 539 O SER A 37 -5.345 12.511 -5.895 1.00 10.00 O ATOM 540 CB SER A 37 -6.354 11.294 -3.035 1.00 10.00 C ATOM 541 OG SER A 37 -6.581 12.680 -2.790 1.00 10.00 O ATOM 0 H SER A 37 -4.248 12.814 -3.302 1.00 10.00 H new ATOM 0 HA SER A 37 -4.899 10.013 -3.925 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.254 10.849 -3.460 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.162 10.786 -2.090 1.00 10.00 H new ATOM 0 HG SER A 37 -7.342 12.784 -2.181 1.00 10.00 H new ATOM 547 N PRO A 38 -6.198 10.391 -6.094 1.00 10.00 N ATOM 548 CA PRO A 38 -6.438 9.106 -5.462 1.00 10.00 C ATOM 549 C PRO A 38 -5.146 8.294 -5.361 1.00 10.00 C ATOM 550 O PRO A 38 -4.055 8.828 -5.563 1.00 10.00 O ATOM 551 CB PRO A 38 -7.496 8.435 -6.322 1.00 10.00 C ATOM 552 CG PRO A 38 -7.472 9.162 -7.657 1.00 10.00 C ATOM 553 CD PRO A 38 -6.682 10.448 -7.471 1.00 10.00 C ATOM 0 HA PRO A 38 -6.783 9.202 -4.433 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -7.279 7.375 -6.451 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -8.479 8.505 -5.857 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -7.012 8.538 -8.423 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -8.486 9.381 -7.991 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -5.855 10.511 -8.179 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -7.309 11.325 -7.634 1.00 10.00 H new ATOM 561 N HIS A 39 -5.310 7.016 -5.051 1.00 10.00 N ATOM 562 CA HIS A 39 -4.169 6.126 -4.921 1.00 10.00 C ATOM 563 C HIS A 39 -4.630 4.676 -5.087 1.00 10.00 C ATOM 564 O HIS A 39 -5.612 4.259 -4.474 1.00 10.00 O ATOM 565 CB HIS A 39 -3.437 6.368 -3.600 1.00 10.00 C ATOM 566 CG HIS A 39 -2.155 7.154 -3.744 1.00 10.00 C ATOM 567 ND1 HIS A 39 -1.459 7.240 -4.937 1.00 10.00 N ATOM 568 CD2 HIS A 39 -1.452 7.887 -2.834 1.00 10.00 C ATOM 569 CE1 HIS A 39 -0.386 7.994 -4.742 1.00 10.00 C ATOM 570 NE2 HIS A 39 -0.383 8.392 -3.437 1.00 10.00 N ATOM 0 H HIS A 39 -6.215 6.576 -4.886 1.00 10.00 H new ATOM 0 HA HIS A 39 -3.448 6.336 -5.711 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -4.102 6.899 -2.920 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -3.212 5.406 -3.140 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -1.720 8.032 -1.798 1.00 10.00 H new ATOM 0 HE1 HIS A 39 0.355 8.248 -5.485 1.00 10.00 H new ATOM 0 HE2 HIS A 39 0.324 8.981 -2.997 1.00 10.00 H new ATOM 578 N ASN A 40 -3.898 3.947 -5.916 1.00 10.00 N ATOM 579 CA ASN A 40 -4.218 2.553 -6.171 1.00 10.00 C ATOM 580 C ASN A 40 -2.971 1.698 -5.942 1.00 10.00 C ATOM 581 O ASN A 40 -1.941 1.911 -6.581 1.00 10.00 O ATOM 582 CB ASN A 40 -4.675 2.347 -7.616 1.00 10.00 C ATOM 583 CG ASN A 40 -5.794 3.324 -7.983 1.00 10.00 C ATOM 584 OD1 ASN A 40 -5.654 4.533 -7.885 1.00 10.00 O ATOM 585 ND2 ASN A 40 -6.907 2.737 -8.410 1.00 10.00 N ATOM 0 H ASN A 40 -3.083 4.296 -6.420 1.00 10.00 H new ATOM 0 HA ASN A 40 -5.022 2.263 -5.495 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -3.831 2.486 -8.291 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -5.024 1.323 -7.748 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -7.711 3.304 -8.680 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -6.957 1.720 -8.468 1.00 10.00 H new ATOM 592 N ILE A 41 -3.102 0.746 -5.029 1.00 10.00 N ATOM 593 CA ILE A 41 -1.999 -0.142 -4.708 1.00 10.00 C ATOM 594 C ILE A 41 -2.196 -1.474 -5.432 1.00 10.00 C ATOM 595 O ILE A 41 -2.610 -2.460 -4.825 1.00 10.00 O ATOM 596 CB ILE A 41 -1.847 -0.282 -3.192 1.00 10.00 C ATOM 597 CG1 ILE A 41 -1.983 1.074 -2.498 1.00 10.00 C ATOM 598 CG2 ILE A 41 -0.533 -0.979 -2.835 1.00 10.00 C ATOM 599 CD1 ILE A 41 -3.101 1.048 -1.454 1.00 10.00 C ATOM 0 H ILE A 41 -3.957 0.571 -4.501 1.00 10.00 H new ATOM 0 HA ILE A 41 -1.057 0.277 -5.062 1.00 10.00 H new ATOM 0 HB ILE A 41 -2.657 -0.913 -2.825 1.00 10.00 H new ATOM 0 HG12 ILE A 41 -1.040 1.337 -2.019 1.00 10.00 H new ATOM 0 HG13 ILE A 41 -2.191 1.846 -3.239 1.00 10.00 H new ATOM 0 HG21 ILE A 41 -0.450 -1.066 -1.752 1.00 10.00 H new ATOM 0 HG22 ILE A 41 -0.516 -1.973 -3.281 1.00 10.00 H new ATOM 0 HG23 ILE A 41 0.304 -0.395 -3.218 1.00 10.00 H new ATOM 0 HD11 ILE A 41 -3.175 2.025 -0.976 1.00 10.00 H new ATOM 0 HD12 ILE A 41 -4.047 0.809 -1.940 1.00 10.00 H new ATOM 0 HD13 ILE A 41 -2.878 0.292 -0.701 1.00 10.00 H new ATOM 611 N VAL A 42 -1.888 -1.462 -6.721 1.00 10.00 N ATOM 612 CA VAL A 42 -2.026 -2.658 -7.536 1.00 10.00 C ATOM 613 C VAL A 42 -0.775 -3.525 -7.378 1.00 10.00 C ATOM 614 O VAL A 42 0.325 -3.004 -7.199 1.00 10.00 O ATOM 615 CB VAL A 42 -2.307 -2.272 -8.990 1.00 10.00 C ATOM 616 CG1 VAL A 42 -2.556 -3.514 -9.848 1.00 10.00 C ATOM 617 CG2 VAL A 42 -3.483 -1.298 -9.081 1.00 10.00 C ATOM 0 H VAL A 42 -1.543 -0.643 -7.221 1.00 10.00 H new ATOM 0 HA VAL A 42 -2.877 -3.251 -7.202 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.423 -1.767 -9.380 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.753 -3.212 -10.877 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -1.676 -4.157 -9.821 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.416 -4.059 -9.459 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.662 -1.040 -10.125 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.376 -1.765 -8.665 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.251 -0.394 -8.518 1.00 10.00 H new ATOM 627 N PHE A 43 -0.985 -4.830 -7.451 1.00 10.00 N ATOM 628 CA PHE A 43 0.112 -5.773 -7.319 1.00 10.00 C ATOM 629 C PHE A 43 0.219 -6.668 -8.555 1.00 10.00 C ATOM 630 O PHE A 43 -0.785 -7.192 -9.035 1.00 10.00 O ATOM 631 CB PHE A 43 -0.193 -6.645 -6.099 1.00 10.00 C ATOM 632 CG PHE A 43 -0.114 -5.899 -4.766 1.00 10.00 C ATOM 633 CD1 PHE A 43 -0.926 -4.832 -4.534 1.00 10.00 C ATOM 634 CD2 PHE A 43 0.767 -6.301 -3.811 1.00 10.00 C ATOM 635 CE1 PHE A 43 -0.853 -4.139 -3.297 1.00 10.00 C ATOM 636 CE2 PHE A 43 0.840 -5.608 -2.574 1.00 10.00 C ATOM 637 CZ PHE A 43 0.028 -4.542 -2.343 1.00 10.00 C ATOM 0 H PHE A 43 -1.899 -5.257 -7.600 1.00 10.00 H new ATOM 0 HA PHE A 43 1.054 -5.235 -7.211 1.00 10.00 H new ATOM 0 HB2 PHE A 43 -1.192 -7.068 -6.208 1.00 10.00 H new ATOM 0 HB3 PHE A 43 0.507 -7.480 -6.078 1.00 10.00 H new ATOM 0 HD1 PHE A 43 -1.626 -4.512 -5.291 1.00 10.00 H new ATOM 0 HD2 PHE A 43 1.412 -7.148 -3.994 1.00 10.00 H new ATOM 0 HE1 PHE A 43 -1.497 -3.292 -3.114 1.00 10.00 H new ATOM 0 HE2 PHE A 43 1.540 -5.927 -1.817 1.00 10.00 H new ATOM 0 HZ PHE A 43 0.083 -4.015 -1.402 1.00 10.00 H new ATOM 647 N ALA A 44 1.445 -6.813 -9.037 1.00 10.00 N ATOM 648 CA ALA A 44 1.694 -7.634 -10.209 1.00 10.00 C ATOM 649 C ALA A 44 1.862 -9.093 -9.778 1.00 10.00 C ATOM 650 O ALA A 44 2.249 -9.367 -8.643 1.00 10.00 O ATOM 651 CB ALA A 44 2.921 -7.102 -10.952 1.00 10.00 C ATOM 0 H ALA A 44 2.276 -6.376 -8.637 1.00 10.00 H new ATOM 0 HA ALA A 44 0.850 -7.588 -10.897 1.00 10.00 H new ATOM 0 HB1 ALA A 44 3.109 -7.717 -11.832 1.00 10.00 H new ATOM 0 HB2 ALA A 44 2.741 -6.072 -11.261 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.789 -7.137 -10.293 1.00 10.00 H new ATOM 657 N ALA A 45 1.564 -9.990 -10.706 1.00 10.00 N ATOM 658 CA ALA A 45 1.676 -11.413 -10.437 1.00 10.00 C ATOM 659 C ALA A 45 2.814 -11.998 -11.274 1.00 10.00 C ATOM 660 O ALA A 45 2.573 -12.654 -12.286 1.00 10.00 O ATOM 661 CB ALA A 45 0.335 -12.094 -10.719 1.00 10.00 C ATOM 0 H ALA A 45 1.245 -9.758 -11.647 1.00 10.00 H new ATOM 0 HA ALA A 45 1.915 -11.587 -9.388 1.00 10.00 H new ATOM 0 HB1 ALA A 45 0.420 -13.162 -10.517 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -0.434 -11.663 -10.078 1.00 10.00 H new ATOM 0 HB3 ALA A 45 0.063 -11.943 -11.764 1.00 10.00 H new ATOM 667 N ASP A 46 4.032 -11.740 -10.820 1.00 10.00 N ATOM 668 CA ASP A 46 5.209 -12.232 -11.515 1.00 10.00 C ATOM 669 C ASP A 46 5.623 -13.579 -10.917 1.00 10.00 C ATOM 670 O ASP A 46 5.308 -14.631 -11.472 1.00 10.00 O ATOM 671 CB ASP A 46 6.385 -11.266 -11.361 1.00 10.00 C ATOM 672 CG ASP A 46 6.582 -10.297 -12.528 1.00 10.00 C ATOM 673 OD1 ASP A 46 5.587 -9.633 -12.889 1.00 10.00 O ATOM 674 OD2 ASP A 46 7.725 -10.241 -13.033 1.00 10.00 O ATOM 0 H ASP A 46 4.229 -11.197 -9.979 1.00 10.00 H new ATOM 0 HA ASP A 46 4.959 -12.330 -12.571 1.00 10.00 H new ATOM 0 HB2 ASP A 46 6.244 -10.688 -10.448 1.00 10.00 H new ATOM 0 HB3 ASP A 46 7.298 -11.847 -11.232 1.00 10.00 H new ATOM 679 N GLY A 47 6.322 -13.502 -9.794 1.00 10.00 N ATOM 680 CA GLY A 47 6.782 -14.701 -9.116 1.00 10.00 C ATOM 681 C GLY A 47 5.738 -15.199 -8.114 1.00 10.00 C ATOM 682 O GLY A 47 6.079 -15.860 -7.134 1.00 10.00 O ATOM 0 H GLY A 47 6.581 -12.628 -9.337 1.00 10.00 H new ATOM 0 HA2 GLY A 47 6.989 -15.481 -9.849 1.00 10.00 H new ATOM 0 HA3 GLY A 47 7.718 -14.494 -8.598 1.00 10.00 H new ATOM 686 N VAL A 48 4.489 -14.861 -8.393 1.00 10.00 N ATOM 687 CA VAL A 48 3.393 -15.265 -7.529 1.00 10.00 C ATOM 688 C VAL A 48 2.171 -15.604 -8.385 1.00 10.00 C ATOM 689 O VAL A 48 2.104 -15.228 -9.554 1.00 10.00 O ATOM 690 CB VAL A 48 3.113 -14.173 -6.494 1.00 10.00 C ATOM 691 CG1 VAL A 48 2.409 -14.751 -5.265 1.00 10.00 C ATOM 692 CG2 VAL A 48 4.403 -13.451 -6.098 1.00 10.00 C ATOM 0 H VAL A 48 4.211 -14.311 -9.206 1.00 10.00 H new ATOM 0 HA VAL A 48 3.658 -16.163 -6.972 1.00 10.00 H new ATOM 0 HB VAL A 48 2.445 -13.442 -6.949 1.00 10.00 H new ATOM 0 HG11 VAL A 48 2.222 -13.954 -4.545 1.00 10.00 H new ATOM 0 HG12 VAL A 48 1.462 -15.199 -5.565 1.00 10.00 H new ATOM 0 HG13 VAL A 48 3.041 -15.512 -4.808 1.00 10.00 H new ATOM 0 HG21 VAL A 48 4.177 -12.680 -5.362 1.00 10.00 H new ATOM 0 HG22 VAL A 48 5.104 -14.167 -5.670 1.00 10.00 H new ATOM 0 HG23 VAL A 48 4.848 -12.991 -6.980 1.00 10.00 H new ATOM 702 N ASP A 49 1.234 -16.310 -7.769 1.00 10.00 N ATOM 703 CA ASP A 49 0.018 -16.704 -8.461 1.00 10.00 C ATOM 704 C ASP A 49 -0.789 -15.453 -8.816 1.00 10.00 C ATOM 705 O ASP A 49 -0.418 -14.342 -8.438 1.00 10.00 O ATOM 706 CB ASP A 49 -0.856 -17.594 -7.574 1.00 10.00 C ATOM 707 CG ASP A 49 -1.983 -18.326 -8.306 1.00 10.00 C ATOM 708 OD1 ASP A 49 -1.667 -19.344 -8.959 1.00 10.00 O ATOM 709 OD2 ASP A 49 -3.134 -17.853 -8.195 1.00 10.00 O ATOM 0 H ASP A 49 1.292 -16.619 -6.799 1.00 10.00 H new ATOM 0 HA ASP A 49 0.303 -17.256 -9.357 1.00 10.00 H new ATOM 0 HB2 ASP A 49 -0.220 -18.332 -7.086 1.00 10.00 H new ATOM 0 HB3 ASP A 49 -1.293 -16.980 -6.787 1.00 10.00 H new ATOM 714 N ALA A 50 -1.877 -15.675 -9.540 1.00 10.00 N ATOM 715 CA ALA A 50 -2.739 -14.580 -9.950 1.00 10.00 C ATOM 716 C ALA A 50 -3.843 -14.388 -8.908 1.00 10.00 C ATOM 717 O ALA A 50 -4.143 -13.260 -8.516 1.00 10.00 O ATOM 718 CB ALA A 50 -3.299 -14.866 -11.345 1.00 10.00 C ATOM 0 H ALA A 50 -2.181 -16.597 -9.853 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.175 -13.649 -10.009 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -3.946 -14.044 -11.653 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -2.477 -14.966 -12.054 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -3.874 -15.792 -11.324 1.00 10.00 H new ATOM 724 N ASP A 51 -4.419 -15.505 -8.488 1.00 10.00 N ATOM 725 CA ASP A 51 -5.483 -15.473 -7.499 1.00 10.00 C ATOM 726 C ASP A 51 -4.969 -14.799 -6.226 1.00 10.00 C ATOM 727 O ASP A 51 -5.662 -13.971 -5.636 1.00 10.00 O ATOM 728 CB ASP A 51 -5.939 -16.887 -7.135 1.00 10.00 C ATOM 729 CG ASP A 51 -7.352 -17.250 -7.597 1.00 10.00 C ATOM 730 OD1 ASP A 51 -8.195 -16.327 -7.624 1.00 10.00 O ATOM 731 OD2 ASP A 51 -7.557 -18.442 -7.911 1.00 10.00 O ATOM 0 H ASP A 51 -4.169 -16.438 -8.815 1.00 10.00 H new ATOM 0 HA ASP A 51 -6.322 -14.922 -7.924 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -5.237 -17.601 -7.566 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -5.886 -17.002 -6.052 1.00 10.00 H new ATOM 736 N THR A 52 -3.760 -15.178 -5.839 1.00 10.00 N ATOM 737 CA THR A 52 -3.146 -14.621 -4.647 1.00 10.00 C ATOM 738 C THR A 52 -2.820 -13.140 -4.856 1.00 10.00 C ATOM 739 O THR A 52 -3.216 -12.294 -4.055 1.00 10.00 O ATOM 740 CB THR A 52 -1.921 -15.470 -4.304 1.00 10.00 C ATOM 741 OG1 THR A 52 -2.452 -16.562 -3.559 1.00 10.00 O ATOM 742 CG2 THR A 52 -0.979 -14.770 -3.322 1.00 10.00 C ATOM 0 H THR A 52 -3.189 -15.865 -6.331 1.00 10.00 H new ATOM 0 HA THR A 52 -3.830 -14.654 -3.799 1.00 10.00 H new ATOM 0 HB THR A 52 -1.378 -15.709 -5.218 1.00 10.00 H new ATOM 0 HG1 THR A 52 -1.724 -17.164 -3.297 1.00 10.00 H new ATOM 0 HG21 THR A 52 -0.126 -15.416 -3.112 1.00 10.00 H new ATOM 0 HG22 THR A 52 -0.627 -13.835 -3.759 1.00 10.00 H new ATOM 0 HG23 THR A 52 -1.511 -14.560 -2.394 1.00 10.00 H new ATOM 750 N ALA A 53 -2.104 -12.873 -5.938 1.00 10.00 N ATOM 751 CA ALA A 53 -1.719 -11.509 -6.263 1.00 10.00 C ATOM 752 C ALA A 53 -2.979 -10.653 -6.411 1.00 10.00 C ATOM 753 O ALA A 53 -2.949 -9.452 -6.150 1.00 10.00 O ATOM 754 CB ALA A 53 -0.862 -11.510 -7.529 1.00 10.00 C ATOM 0 H ALA A 53 -1.780 -13.577 -6.601 1.00 10.00 H new ATOM 0 HA ALA A 53 -1.118 -11.076 -5.463 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -0.573 -10.488 -7.773 1.00 10.00 H new ATOM 0 HB2 ALA A 53 0.033 -12.110 -7.362 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -1.434 -11.933 -8.355 1.00 10.00 H new ATOM 760 N ALA A 54 -4.053 -11.303 -6.833 1.00 10.00 N ATOM 761 CA ALA A 54 -5.319 -10.616 -7.019 1.00 10.00 C ATOM 762 C ALA A 54 -5.779 -10.031 -5.683 1.00 10.00 C ATOM 763 O ALA A 54 -6.042 -8.833 -5.582 1.00 10.00 O ATOM 764 CB ALA A 54 -6.343 -11.584 -7.615 1.00 10.00 C ATOM 0 H ALA A 54 -4.072 -12.299 -7.052 1.00 10.00 H new ATOM 0 HA ALA A 54 -5.206 -9.788 -7.719 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -7.293 -11.068 -7.754 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -5.983 -11.948 -8.577 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -6.484 -12.427 -6.938 1.00 10.00 H new ATOM 770 N LYS A 55 -5.862 -10.904 -4.688 1.00 10.00 N ATOM 771 CA LYS A 55 -6.285 -10.488 -3.362 1.00 10.00 C ATOM 772 C LYS A 55 -5.357 -9.381 -2.857 1.00 10.00 C ATOM 773 O LYS A 55 -5.820 -8.331 -2.416 1.00 10.00 O ATOM 774 CB LYS A 55 -6.368 -11.695 -2.424 1.00 10.00 C ATOM 775 CG LYS A 55 -7.709 -11.725 -1.688 1.00 10.00 C ATOM 776 CD LYS A 55 -7.831 -12.979 -0.822 1.00 10.00 C ATOM 777 CE LYS A 55 -9.256 -13.141 -0.288 1.00 10.00 C ATOM 778 NZ LYS A 55 -9.293 -14.154 0.791 1.00 10.00 N ATOM 0 H LYS A 55 -5.643 -11.897 -4.774 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.291 -10.069 -3.398 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.242 -12.614 -2.996 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -5.553 -11.655 -1.701 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.805 -10.837 -1.064 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -8.525 -11.697 -2.410 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -7.556 -13.857 -1.407 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -7.131 -12.919 0.012 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -9.620 -12.185 0.090 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -9.922 -13.439 -1.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -10.267 -14.252 1.142 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -8.965 -15.069 0.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -8.673 -13.854 1.570 1.00 10.00 H new ATOM 792 N LEU A 56 -4.064 -9.654 -2.942 1.00 10.00 N ATOM 793 CA LEU A 56 -3.067 -8.693 -2.500 1.00 10.00 C ATOM 794 C LEU A 56 -3.074 -7.487 -3.440 1.00 10.00 C ATOM 795 O LEU A 56 -2.509 -6.442 -3.121 1.00 10.00 O ATOM 796 CB LEU A 56 -1.697 -9.364 -2.373 1.00 10.00 C ATOM 797 CG LEU A 56 -1.552 -10.381 -1.239 1.00 10.00 C ATOM 798 CD1 LEU A 56 -0.676 -11.560 -1.668 1.00 10.00 C ATOM 799 CD2 LEU A 56 -1.026 -9.712 0.034 1.00 10.00 C ATOM 0 H LEU A 56 -3.683 -10.526 -3.310 1.00 10.00 H new ATOM 0 HA LEU A 56 -3.311 -8.323 -1.504 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.471 -9.864 -3.315 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.945 -8.587 -2.236 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.540 -10.779 -1.010 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -0.589 -12.268 -0.844 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -1.129 -12.056 -2.526 1.00 10.00 H new ATOM 0 HD13 LEU A 56 0.315 -11.197 -1.940 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -0.932 -10.457 0.824 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -0.050 -9.269 -0.165 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -1.721 -8.934 0.350 1.00 10.00 H new ATOM 811 N SER A 57 -3.722 -7.670 -4.582 1.00 10.00 N ATOM 812 CA SER A 57 -3.812 -6.609 -5.571 1.00 10.00 C ATOM 813 C SER A 57 -5.029 -5.727 -5.284 1.00 10.00 C ATOM 814 O SER A 57 -6.161 -6.119 -5.561 1.00 10.00 O ATOM 815 CB SER A 57 -3.894 -7.182 -6.987 1.00 10.00 C ATOM 816 OG SER A 57 -4.376 -6.223 -7.923 1.00 10.00 O ATOM 0 H SER A 57 -4.190 -8.538 -4.844 1.00 10.00 H new ATOM 0 HA SER A 57 -2.909 -6.003 -5.505 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.907 -7.527 -7.296 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.551 -8.052 -6.989 1.00 10.00 H new ATOM 0 HG SER A 57 -4.412 -6.626 -8.815 1.00 10.00 H new ATOM 822 N HIS A 58 -4.753 -4.556 -4.731 1.00 10.00 N ATOM 823 CA HIS A 58 -5.812 -3.615 -4.403 1.00 10.00 C ATOM 824 C HIS A 58 -6.317 -2.946 -5.683 1.00 10.00 C ATOM 825 O HIS A 58 -5.666 -2.050 -6.218 1.00 10.00 O ATOM 826 CB HIS A 58 -5.337 -2.608 -3.353 1.00 10.00 C ATOM 827 CG HIS A 58 -4.884 -3.237 -2.059 1.00 10.00 C ATOM 828 ND1 HIS A 58 -5.551 -3.051 -0.860 1.00 10.00 N ATOM 829 CD2 HIS A 58 -3.825 -4.054 -1.787 1.00 10.00 C ATOM 830 CE1 HIS A 58 -4.912 -3.729 0.084 1.00 10.00 C ATOM 831 NE2 HIS A 58 -3.842 -4.347 -0.493 1.00 10.00 N ATOM 0 H HIS A 58 -3.812 -4.236 -4.501 1.00 10.00 H new ATOM 0 HA HIS A 58 -6.653 -4.147 -3.957 1.00 10.00 H new ATOM 0 HB2 HIS A 58 -4.515 -2.026 -3.769 1.00 10.00 H new ATOM 0 HB3 HIS A 58 -6.147 -1.910 -3.142 1.00 10.00 H new ATOM 0 HD1 HIS A 58 -6.391 -2.488 -0.726 1.00 10.00 H new ATOM 0 HD2 HIS A 58 -3.096 -4.403 -2.504 1.00 10.00 H new ATOM 0 HE1 HIS A 58 -5.190 -3.782 1.126 1.00 10.00 H new ATOM 839 N LYS A 59 -7.475 -3.406 -6.135 1.00 10.00 N ATOM 840 CA LYS A 59 -8.075 -2.861 -7.341 1.00 10.00 C ATOM 841 C LYS A 59 -9.050 -1.745 -6.962 1.00 10.00 C ATOM 842 O LYS A 59 -10.088 -1.580 -7.599 1.00 10.00 O ATOM 843 CB LYS A 59 -8.711 -3.978 -8.173 1.00 10.00 C ATOM 844 CG LYS A 59 -7.644 -4.782 -8.920 1.00 10.00 C ATOM 845 CD LYS A 59 -7.414 -4.217 -10.322 1.00 10.00 C ATOM 846 CE LYS A 59 -7.570 -5.306 -11.384 1.00 10.00 C ATOM 847 NZ LYS A 59 -8.988 -5.428 -11.795 1.00 10.00 N ATOM 0 H LYS A 59 -8.013 -4.149 -5.688 1.00 10.00 H new ATOM 0 HA LYS A 59 -7.312 -2.414 -7.978 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -9.282 -4.641 -7.522 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -9.414 -3.549 -8.887 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -6.710 -4.763 -8.359 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -7.952 -5.825 -8.990 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -8.123 -3.412 -10.514 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -6.416 -3.784 -10.384 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -6.953 -5.069 -12.251 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -7.215 -6.259 -10.991 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -9.078 -6.172 -12.517 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -9.569 -5.676 -10.969 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -9.314 -4.522 -12.189 1.00 10.00 H new ATOM 861 N GLY A 60 -8.679 -1.006 -5.926 1.00 10.00 N ATOM 862 CA GLY A 60 -9.508 0.090 -5.455 1.00 10.00 C ATOM 863 C GLY A 60 -8.788 1.431 -5.618 1.00 10.00 C ATOM 864 O GLY A 60 -7.765 1.512 -6.297 1.00 10.00 O ATOM 0 H GLY A 60 -7.816 -1.145 -5.400 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -10.446 0.107 -6.011 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -9.762 -0.066 -4.406 1.00 10.00 H new ATOM 868 N LEU A 61 -9.350 2.449 -4.982 1.00 10.00 N ATOM 869 CA LEU A 61 -8.775 3.780 -5.048 1.00 10.00 C ATOM 870 C LEU A 61 -9.100 4.536 -3.758 1.00 10.00 C ATOM 871 O LEU A 61 -10.267 4.725 -3.421 1.00 10.00 O ATOM 872 CB LEU A 61 -9.238 4.503 -6.315 1.00 10.00 C ATOM 873 CG LEU A 61 -10.735 4.428 -6.621 1.00 10.00 C ATOM 874 CD1 LEU A 61 -11.282 5.800 -7.020 1.00 10.00 C ATOM 875 CD2 LEU A 61 -11.026 3.365 -7.681 1.00 10.00 C ATOM 0 H LEU A 61 -10.197 2.378 -4.419 1.00 10.00 H new ATOM 0 HA LEU A 61 -7.689 3.721 -5.120 1.00 10.00 H new ATOM 0 HB2 LEU A 61 -8.956 5.553 -6.234 1.00 10.00 H new ATOM 0 HB3 LEU A 61 -8.693 4.091 -7.164 1.00 10.00 H new ATOM 0 HG LEU A 61 -11.254 4.126 -5.712 1.00 10.00 H new ATOM 0 HD11 LEU A 61 -12.348 5.719 -7.232 1.00 10.00 H new ATOM 0 HD12 LEU A 61 -11.127 6.505 -6.203 1.00 10.00 H new ATOM 0 HD13 LEU A 61 -10.761 6.155 -7.909 1.00 10.00 H new ATOM 0 HD21 LEU A 61 -12.097 3.333 -7.879 1.00 10.00 H new ATOM 0 HD22 LEU A 61 -10.494 3.612 -8.600 1.00 10.00 H new ATOM 0 HD23 LEU A 61 -10.694 2.391 -7.320 1.00 10.00 H new ATOM 887 N ALA A 62 -8.045 4.948 -3.069 1.00 10.00 N ATOM 888 CA ALA A 62 -8.203 5.679 -1.823 1.00 10.00 C ATOM 889 C ALA A 62 -8.372 7.168 -2.128 1.00 10.00 C ATOM 890 O ALA A 62 -7.548 7.761 -2.824 1.00 10.00 O ATOM 891 CB ALA A 62 -7.004 5.402 -0.913 1.00 10.00 C ATOM 0 H ALA A 62 -7.078 4.789 -3.350 1.00 10.00 H new ATOM 0 HA ALA A 62 -9.097 5.348 -1.294 1.00 10.00 H new ATOM 0 HB1 ALA A 62 -7.122 5.950 0.022 1.00 10.00 H new ATOM 0 HB2 ALA A 62 -6.946 4.334 -0.702 1.00 10.00 H new ATOM 0 HB3 ALA A 62 -6.089 5.724 -1.409 1.00 10.00 H new ATOM 897 N PHE A 63 -9.445 7.730 -1.593 1.00 10.00 N ATOM 898 CA PHE A 63 -9.733 9.140 -1.800 1.00 10.00 C ATOM 899 C PHE A 63 -9.584 9.927 -0.496 1.00 10.00 C ATOM 900 O PHE A 63 -8.688 10.760 -0.369 1.00 10.00 O ATOM 901 CB PHE A 63 -11.183 9.236 -2.275 1.00 10.00 C ATOM 902 CG PHE A 63 -11.332 9.633 -3.746 1.00 10.00 C ATOM 903 CD1 PHE A 63 -11.371 10.946 -4.096 1.00 10.00 C ATOM 904 CD2 PHE A 63 -11.424 8.672 -4.704 1.00 10.00 C ATOM 905 CE1 PHE A 63 -11.508 11.315 -5.459 1.00 10.00 C ATOM 906 CE2 PHE A 63 -11.562 9.040 -6.068 1.00 10.00 C ATOM 907 CZ PHE A 63 -11.600 10.354 -6.417 1.00 10.00 C ATOM 0 H PHE A 63 -10.126 7.236 -1.017 1.00 10.00 H new ATOM 0 HA PHE A 63 -9.038 9.558 -2.528 1.00 10.00 H new ATOM 0 HB2 PHE A 63 -11.670 8.274 -2.118 1.00 10.00 H new ATOM 0 HB3 PHE A 63 -11.709 9.964 -1.658 1.00 10.00 H new ATOM 0 HD1 PHE A 63 -11.298 11.709 -3.335 1.00 10.00 H new ATOM 0 HD2 PHE A 63 -11.392 7.629 -4.427 1.00 10.00 H new ATOM 0 HE1 PHE A 63 -11.539 12.358 -5.736 1.00 10.00 H new ATOM 0 HE2 PHE A 63 -11.637 8.277 -6.828 1.00 10.00 H new ATOM 0 HZ PHE A 63 -11.703 10.634 -7.455 1.00 10.00 H new ATOM 917 N ALA A 64 -10.476 9.634 0.440 1.00 10.00 N ATOM 918 CA ALA A 64 -10.453 10.304 1.730 1.00 10.00 C ATOM 919 C ALA A 64 -9.303 9.746 2.570 1.00 10.00 C ATOM 920 O ALA A 64 -9.100 8.534 2.622 1.00 10.00 O ATOM 921 CB ALA A 64 -11.811 10.136 2.414 1.00 10.00 C ATOM 0 H ALA A 64 -11.218 8.943 0.331 1.00 10.00 H new ATOM 0 HA ALA A 64 -10.280 11.373 1.605 1.00 10.00 H new ATOM 0 HB1 ALA A 64 -11.796 10.638 3.382 1.00 10.00 H new ATOM 0 HB2 ALA A 64 -12.589 10.575 1.790 1.00 10.00 H new ATOM 0 HB3 ALA A 64 -12.017 9.075 2.559 1.00 10.00 H new ATOM 927 N ALA A 65 -8.583 10.656 3.207 1.00 10.00 N ATOM 928 CA ALA A 65 -7.458 10.269 4.043 1.00 10.00 C ATOM 929 C ALA A 65 -7.982 9.657 5.344 1.00 10.00 C ATOM 930 O ALA A 65 -8.214 10.369 6.319 1.00 10.00 O ATOM 931 CB ALA A 65 -6.564 11.486 4.289 1.00 10.00 C ATOM 0 H ALA A 65 -8.756 11.660 3.162 1.00 10.00 H new ATOM 0 HA ALA A 65 -6.851 9.513 3.545 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -5.720 11.197 4.916 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -6.195 11.865 3.336 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -7.139 12.264 4.791 1.00 10.00 H new ATOM 937 N GLY A 66 -8.154 8.344 5.314 1.00 10.00 N ATOM 938 CA GLY A 66 -8.646 7.628 6.479 1.00 10.00 C ATOM 939 C GLY A 66 -8.953 6.169 6.137 1.00 10.00 C ATOM 940 O GLY A 66 -8.788 5.283 6.974 1.00 10.00 O ATOM 0 H GLY A 66 -7.962 7.757 4.502 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -7.904 7.670 7.276 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -9.546 8.114 6.856 1.00 10.00 H new ATOM 944 N GLU A 67 -9.391 5.963 4.904 1.00 10.00 N ATOM 945 CA GLU A 67 -9.723 4.627 4.440 1.00 10.00 C ATOM 946 C GLU A 67 -8.462 3.901 3.970 1.00 10.00 C ATOM 947 O GLU A 67 -7.983 4.135 2.861 1.00 10.00 O ATOM 948 CB GLU A 67 -10.774 4.677 3.330 1.00 10.00 C ATOM 949 CG GLU A 67 -12.143 5.072 3.886 1.00 10.00 C ATOM 950 CD GLU A 67 -12.705 6.288 3.149 1.00 10.00 C ATOM 951 OE1 GLU A 67 -13.226 6.083 2.031 1.00 10.00 O ATOM 952 OE2 GLU A 67 -12.602 7.395 3.719 1.00 10.00 O ATOM 0 H GLU A 67 -9.524 6.700 4.211 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.150 4.069 5.273 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -10.468 5.392 2.567 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.842 3.703 2.845 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -12.833 4.234 3.791 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -12.057 5.295 4.949 1.00 10.00 H new ATOM 959 N SER A 68 -7.959 3.034 4.835 1.00 10.00 N ATOM 960 CA SER A 68 -6.762 2.271 4.523 1.00 10.00 C ATOM 961 C SER A 68 -7.134 0.821 4.207 1.00 10.00 C ATOM 962 O SER A 68 -8.169 0.330 4.653 1.00 10.00 O ATOM 963 CB SER A 68 -5.760 2.322 5.677 1.00 10.00 C ATOM 964 OG SER A 68 -6.315 1.825 6.891 1.00 10.00 O ATOM 0 H SER A 68 -8.359 2.842 5.754 1.00 10.00 H new ATOM 0 HA SER A 68 -6.290 2.718 3.648 1.00 10.00 H new ATOM 0 HB2 SER A 68 -4.878 1.738 5.416 1.00 10.00 H new ATOM 0 HB3 SER A 68 -5.429 3.350 5.824 1.00 10.00 H new ATOM 0 HG SER A 68 -5.642 1.873 7.602 1.00 10.00 H new ATOM 970 N PHE A 69 -6.267 0.176 3.439 1.00 10.00 N ATOM 971 CA PHE A 69 -6.490 -1.209 3.059 1.00 10.00 C ATOM 972 C PHE A 69 -5.513 -2.140 3.778 1.00 10.00 C ATOM 973 O PHE A 69 -4.599 -1.679 4.461 1.00 10.00 O ATOM 974 CB PHE A 69 -6.250 -1.302 1.550 1.00 10.00 C ATOM 975 CG PHE A 69 -7.006 -0.253 0.733 1.00 10.00 C ATOM 976 CD1 PHE A 69 -8.342 -0.080 0.919 1.00 10.00 C ATOM 977 CD2 PHE A 69 -6.342 0.507 -0.179 1.00 10.00 C ATOM 978 CE1 PHE A 69 -9.044 0.895 0.161 1.00 10.00 C ATOM 979 CE2 PHE A 69 -7.045 1.480 -0.938 1.00 10.00 C ATOM 980 CZ PHE A 69 -8.380 1.653 -0.752 1.00 10.00 C ATOM 0 H PHE A 69 -5.409 0.587 3.070 1.00 10.00 H new ATOM 0 HA PHE A 69 -7.502 -1.511 3.330 1.00 10.00 H new ATOM 0 HB2 PHE A 69 -5.182 -1.199 1.355 1.00 10.00 H new ATOM 0 HB3 PHE A 69 -6.542 -2.294 1.207 1.00 10.00 H new ATOM 0 HD1 PHE A 69 -8.869 -0.684 1.643 1.00 10.00 H new ATOM 0 HD2 PHE A 69 -5.281 0.371 -0.326 1.00 10.00 H new ATOM 0 HE1 PHE A 69 -10.105 1.034 0.310 1.00 10.00 H new ATOM 0 HE2 PHE A 69 -6.518 2.083 -1.663 1.00 10.00 H new ATOM 0 HZ PHE A 69 -8.914 2.393 -1.330 1.00 10.00 H new ATOM 990 N THR A 70 -5.740 -3.433 3.600 1.00 10.00 N ATOM 991 CA THR A 70 -4.890 -4.434 4.224 1.00 10.00 C ATOM 992 C THR A 70 -4.729 -5.646 3.304 1.00 10.00 C ATOM 993 O THR A 70 -5.634 -5.970 2.537 1.00 10.00 O ATOM 994 CB THR A 70 -5.491 -4.782 5.587 1.00 10.00 C ATOM 995 OG1 THR A 70 -5.807 -3.516 6.161 1.00 10.00 O ATOM 996 CG2 THR A 70 -4.461 -5.379 6.548 1.00 10.00 C ATOM 0 H THR A 70 -6.499 -3.811 3.033 1.00 10.00 H new ATOM 0 HA THR A 70 -3.882 -4.051 4.385 1.00 10.00 H new ATOM 0 HB THR A 70 -6.311 -5.487 5.451 1.00 10.00 H new ATOM 0 HG1 THR A 70 -6.204 -3.649 7.047 1.00 10.00 H new ATOM 0 HG21 THR A 70 -4.941 -5.607 7.500 1.00 10.00 H new ATOM 0 HG22 THR A 70 -4.051 -6.294 6.120 1.00 10.00 H new ATOM 0 HG23 THR A 70 -3.656 -4.662 6.710 1.00 10.00 H new ATOM 1004 N SER A 71 -3.572 -6.282 3.413 1.00 10.00 N ATOM 1005 CA SER A 71 -3.281 -7.451 2.601 1.00 10.00 C ATOM 1006 C SER A 71 -2.440 -8.448 3.400 1.00 10.00 C ATOM 1007 O SER A 71 -1.399 -8.088 3.947 1.00 10.00 O ATOM 1008 CB SER A 71 -2.557 -7.059 1.311 1.00 10.00 C ATOM 1009 OG SER A 71 -1.143 -7.004 1.488 1.00 10.00 O ATOM 0 H SER A 71 -2.825 -6.010 4.052 1.00 10.00 H new ATOM 0 HA SER A 71 -4.226 -7.921 2.327 1.00 10.00 H new ATOM 0 HB2 SER A 71 -2.797 -7.778 0.528 1.00 10.00 H new ATOM 0 HB3 SER A 71 -2.918 -6.088 0.973 1.00 10.00 H new ATOM 0 HG SER A 71 -0.803 -6.153 1.142 1.00 10.00 H new ATOM 1015 N THR A 72 -2.924 -9.681 3.443 1.00 10.00 N ATOM 1016 CA THR A 72 -2.229 -10.732 4.168 1.00 10.00 C ATOM 1017 C THR A 72 -1.481 -11.645 3.193 1.00 10.00 C ATOM 1018 O THR A 72 -1.977 -11.940 2.108 1.00 10.00 O ATOM 1019 CB THR A 72 -3.256 -11.471 5.028 1.00 10.00 C ATOM 1020 OG1 THR A 72 -4.180 -10.458 5.415 1.00 10.00 O ATOM 1021 CG2 THR A 72 -2.665 -11.964 6.351 1.00 10.00 C ATOM 0 H THR A 72 -3.788 -9.976 2.988 1.00 10.00 H new ATOM 0 HA THR A 72 -1.467 -10.321 4.830 1.00 10.00 H new ATOM 0 HB THR A 72 -3.654 -12.319 4.470 1.00 10.00 H new ATOM 0 HG1 THR A 72 -4.082 -10.274 6.373 1.00 10.00 H new ATOM 0 HG21 THR A 72 -3.435 -12.481 6.923 1.00 10.00 H new ATOM 0 HG22 THR A 72 -1.841 -12.649 6.149 1.00 10.00 H new ATOM 0 HG23 THR A 72 -2.297 -11.113 6.925 1.00 10.00 H new ATOM 1029 N PHE A 73 -0.299 -12.066 3.617 1.00 10.00 N ATOM 1030 CA PHE A 73 0.523 -12.940 2.797 1.00 10.00 C ATOM 1031 C PHE A 73 0.799 -14.264 3.512 1.00 10.00 C ATOM 1032 O PHE A 73 1.680 -14.341 4.364 1.00 10.00 O ATOM 1033 CB PHE A 73 1.849 -12.215 2.561 1.00 10.00 C ATOM 1034 CG PHE A 73 1.775 -11.105 1.510 1.00 10.00 C ATOM 1035 CD1 PHE A 73 1.869 -11.412 0.190 1.00 10.00 C ATOM 1036 CD2 PHE A 73 1.613 -9.811 1.898 1.00 10.00 C ATOM 1037 CE1 PHE A 73 1.800 -10.382 -0.785 1.00 10.00 C ATOM 1038 CE2 PHE A 73 1.544 -8.782 0.923 1.00 10.00 C ATOM 1039 CZ PHE A 73 1.638 -9.089 -0.397 1.00 10.00 C ATOM 0 H PHE A 73 0.110 -11.818 4.518 1.00 10.00 H new ATOM 0 HA PHE A 73 0.010 -13.164 1.862 1.00 10.00 H new ATOM 0 HB2 PHE A 73 2.189 -11.786 3.504 1.00 10.00 H new ATOM 0 HB3 PHE A 73 2.599 -12.943 2.253 1.00 10.00 H new ATOM 0 HD1 PHE A 73 1.996 -12.439 -0.118 1.00 10.00 H new ATOM 0 HD2 PHE A 73 1.537 -9.567 2.947 1.00 10.00 H new ATOM 0 HE1 PHE A 73 1.876 -10.626 -1.834 1.00 10.00 H new ATOM 0 HE2 PHE A 73 1.417 -7.755 1.231 1.00 10.00 H new ATOM 0 HZ PHE A 73 1.584 -8.306 -1.139 1.00 10.00 H new ATOM 1049 N THR A 74 0.028 -15.274 3.136 1.00 10.00 N ATOM 1050 CA THR A 74 0.178 -16.591 3.731 1.00 10.00 C ATOM 1051 C THR A 74 1.412 -17.295 3.163 1.00 10.00 C ATOM 1052 O THR A 74 1.723 -18.420 3.550 1.00 10.00 O ATOM 1053 CB THR A 74 -1.122 -17.365 3.500 1.00 10.00 C ATOM 1054 OG1 THR A 74 -2.131 -16.359 3.511 1.00 10.00 O ATOM 1055 CG2 THR A 74 -1.482 -18.268 4.681 1.00 10.00 C ATOM 0 H THR A 74 -0.702 -15.207 2.427 1.00 10.00 H new ATOM 0 HA THR A 74 0.347 -16.522 4.806 1.00 10.00 H new ATOM 0 HB THR A 74 -1.031 -17.968 2.597 1.00 10.00 H new ATOM 0 HG1 THR A 74 -3.007 -16.773 3.366 1.00 10.00 H new ATOM 0 HG21 THR A 74 -2.412 -18.794 4.466 1.00 10.00 H new ATOM 0 HG22 THR A 74 -0.684 -18.993 4.842 1.00 10.00 H new ATOM 0 HG23 THR A 74 -1.607 -17.661 5.578 1.00 10.00 H new ATOM 1063 N GLU A 75 2.082 -16.603 2.253 1.00 10.00 N ATOM 1064 CA GLU A 75 3.276 -17.147 1.627 1.00 10.00 C ATOM 1065 C GLU A 75 4.372 -16.082 1.560 1.00 10.00 C ATOM 1066 O GLU A 75 4.116 -14.948 1.158 1.00 10.00 O ATOM 1067 CB GLU A 75 2.962 -17.702 0.237 1.00 10.00 C ATOM 1068 CG GLU A 75 3.492 -19.129 0.082 1.00 10.00 C ATOM 1069 CD GLU A 75 2.491 -20.008 -0.670 1.00 10.00 C ATOM 1070 OE1 GLU A 75 1.428 -20.292 -0.076 1.00 10.00 O ATOM 1071 OE2 GLU A 75 2.811 -20.373 -1.821 1.00 10.00 O ATOM 0 H GLU A 75 1.821 -15.670 1.934 1.00 10.00 H new ATOM 0 HA GLU A 75 3.639 -17.974 2.237 1.00 10.00 H new ATOM 0 HB2 GLU A 75 1.885 -17.691 0.072 1.00 10.00 H new ATOM 0 HB3 GLU A 75 3.407 -17.061 -0.523 1.00 10.00 H new ATOM 0 HG2 GLU A 75 4.441 -19.112 -0.454 1.00 10.00 H new ATOM 0 HG3 GLU A 75 3.689 -19.556 1.065 1.00 10.00 H new ATOM 1078 N PRO A 76 5.601 -16.496 1.968 1.00 10.00 N ATOM 1079 CA PRO A 76 6.738 -15.590 1.956 1.00 10.00 C ATOM 1080 C PRO A 76 7.248 -15.369 0.531 1.00 10.00 C ATOM 1081 O PRO A 76 7.116 -16.244 -0.323 1.00 10.00 O ATOM 1082 CB PRO A 76 7.769 -16.242 2.862 1.00 10.00 C ATOM 1083 CG PRO A 76 7.361 -17.703 2.975 1.00 10.00 C ATOM 1084 CD PRO A 76 5.941 -17.831 2.450 1.00 10.00 C ATOM 0 HA PRO A 76 6.485 -14.592 2.315 1.00 10.00 H new ATOM 0 HB2 PRO A 76 8.771 -16.148 2.444 1.00 10.00 H new ATOM 0 HB3 PRO A 76 7.786 -15.764 3.842 1.00 10.00 H new ATOM 0 HG2 PRO A 76 8.039 -18.334 2.401 1.00 10.00 H new ATOM 0 HG3 PRO A 76 7.416 -18.036 4.011 1.00 10.00 H new ATOM 0 HD2 PRO A 76 5.880 -18.568 1.649 1.00 10.00 H new ATOM 0 HD3 PRO A 76 5.257 -18.155 3.234 1.00 10.00 H new ATOM 1092 N GLY A 77 7.819 -14.192 0.319 1.00 10.00 N ATOM 1093 CA GLY A 77 8.350 -13.844 -0.989 1.00 10.00 C ATOM 1094 C GLY A 77 8.619 -12.341 -1.088 1.00 10.00 C ATOM 1095 O GLY A 77 8.940 -11.697 -0.092 1.00 10.00 O ATOM 0 H GLY A 77 7.926 -13.468 1.030 1.00 10.00 H new ATOM 0 HA2 GLY A 77 9.273 -14.395 -1.169 1.00 10.00 H new ATOM 0 HA3 GLY A 77 7.644 -14.143 -1.764 1.00 10.00 H new ATOM 1099 N THR A 78 8.479 -11.827 -2.302 1.00 10.00 N ATOM 1100 CA THR A 78 8.703 -10.413 -2.545 1.00 10.00 C ATOM 1101 C THR A 78 7.741 -9.897 -3.618 1.00 10.00 C ATOM 1102 O THR A 78 7.951 -10.129 -4.808 1.00 10.00 O ATOM 1103 CB THR A 78 10.177 -10.222 -2.908 1.00 10.00 C ATOM 1104 OG1 THR A 78 10.849 -10.248 -1.653 1.00 10.00 O ATOM 1105 CG2 THR A 78 10.468 -8.824 -3.459 1.00 10.00 C ATOM 0 H THR A 78 8.213 -12.365 -3.127 1.00 10.00 H new ATOM 0 HA THR A 78 8.494 -9.821 -1.654 1.00 10.00 H new ATOM 0 HB THR A 78 10.470 -10.970 -3.645 1.00 10.00 H new ATOM 0 HG1 THR A 78 10.254 -10.625 -0.971 1.00 10.00 H new ATOM 0 HG21 THR A 78 11.528 -8.741 -3.701 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.876 -8.657 -4.359 1.00 10.00 H new ATOM 0 HG23 THR A 78 10.207 -8.076 -2.710 1.00 10.00 H new ATOM 1113 N TYR A 79 6.707 -9.208 -3.159 1.00 10.00 N ATOM 1114 CA TYR A 79 5.712 -8.659 -4.065 1.00 10.00 C ATOM 1115 C TYR A 79 6.045 -7.210 -4.430 1.00 10.00 C ATOM 1116 O TYR A 79 6.830 -6.557 -3.744 1.00 10.00 O ATOM 1117 CB TYR A 79 4.386 -8.689 -3.305 1.00 10.00 C ATOM 1118 CG TYR A 79 3.848 -10.098 -3.047 1.00 10.00 C ATOM 1119 CD1 TYR A 79 4.284 -10.813 -1.949 1.00 10.00 C ATOM 1120 CD2 TYR A 79 2.930 -10.655 -3.912 1.00 10.00 C ATOM 1121 CE1 TYR A 79 3.779 -12.138 -1.706 1.00 10.00 C ATOM 1122 CE2 TYR A 79 2.424 -11.982 -3.669 1.00 10.00 C ATOM 1123 CZ TYR A 79 2.873 -12.659 -2.578 1.00 10.00 C ATOM 1124 OH TYR A 79 2.395 -13.911 -2.349 1.00 10.00 O ATOM 0 H TYR A 79 6.536 -9.017 -2.172 1.00 10.00 H new ATOM 0 HA TYR A 79 5.676 -9.235 -4.990 1.00 10.00 H new ATOM 0 HB2 TYR A 79 4.515 -8.180 -2.350 1.00 10.00 H new ATOM 0 HB3 TYR A 79 3.643 -8.125 -3.869 1.00 10.00 H new ATOM 0 HD1 TYR A 79 5.004 -10.377 -1.272 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.590 -10.097 -4.772 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.112 -12.707 -0.850 1.00 10.00 H new ATOM 0 HE2 TYR A 79 1.704 -12.429 -4.338 1.00 10.00 H new ATOM 0 HH TYR A 79 1.416 -13.901 -2.395 1.00 10.00 H new ATOM 1134 N THR A 80 5.431 -6.749 -5.509 1.00 10.00 N ATOM 1135 CA THR A 80 5.650 -5.391 -5.974 1.00 10.00 C ATOM 1136 C THR A 80 4.331 -4.761 -6.426 1.00 10.00 C ATOM 1137 O THR A 80 3.473 -5.442 -6.987 1.00 10.00 O ATOM 1138 CB THR A 80 6.712 -5.433 -7.075 1.00 10.00 C ATOM 1139 OG1 THR A 80 7.803 -6.128 -6.478 1.00 10.00 O ATOM 1140 CG2 THR A 80 7.281 -4.048 -7.393 1.00 10.00 C ATOM 0 H THR A 80 4.781 -7.293 -6.076 1.00 10.00 H new ATOM 0 HA THR A 80 6.019 -4.754 -5.170 1.00 10.00 H new ATOM 0 HB THR A 80 6.281 -5.864 -7.979 1.00 10.00 H new ATOM 0 HG1 THR A 80 8.536 -6.202 -7.124 1.00 10.00 H new ATOM 0 HG21 THR A 80 8.030 -4.134 -8.180 1.00 10.00 H new ATOM 0 HG22 THR A 80 6.477 -3.392 -7.727 1.00 10.00 H new ATOM 0 HG23 THR A 80 7.742 -3.630 -6.498 1.00 10.00 H new ATOM 1148 N TYR A 81 4.209 -3.467 -6.165 1.00 10.00 N ATOM 1149 CA TYR A 81 3.010 -2.738 -6.539 1.00 10.00 C ATOM 1150 C TYR A 81 3.358 -1.362 -7.109 1.00 10.00 C ATOM 1151 O TYR A 81 4.391 -0.788 -6.766 1.00 10.00 O ATOM 1152 CB TYR A 81 2.209 -2.554 -5.247 1.00 10.00 C ATOM 1153 CG TYR A 81 2.966 -1.805 -4.149 1.00 10.00 C ATOM 1154 CD1 TYR A 81 2.995 -0.425 -4.150 1.00 10.00 C ATOM 1155 CD2 TYR A 81 3.617 -2.508 -3.156 1.00 10.00 C ATOM 1156 CE1 TYR A 81 3.706 0.281 -3.115 1.00 10.00 C ATOM 1157 CE2 TYR A 81 4.329 -1.802 -2.123 1.00 10.00 C ATOM 1158 CZ TYR A 81 4.338 -0.443 -2.153 1.00 10.00 C ATOM 1159 OH TYR A 81 5.010 0.225 -1.177 1.00 10.00 O ATOM 0 H TYR A 81 4.922 -2.905 -5.699 1.00 10.00 H new ATOM 0 HA TYR A 81 2.454 -3.281 -7.303 1.00 10.00 H new ATOM 0 HB2 TYR A 81 1.290 -2.013 -5.475 1.00 10.00 H new ATOM 0 HB3 TYR A 81 1.917 -3.534 -4.870 1.00 10.00 H new ATOM 0 HD1 TYR A 81 2.485 0.125 -4.927 1.00 10.00 H new ATOM 0 HD2 TYR A 81 3.592 -3.588 -3.154 1.00 10.00 H new ATOM 0 HE1 TYR A 81 3.736 1.361 -3.103 1.00 10.00 H new ATOM 0 HE2 TYR A 81 4.845 -2.340 -1.341 1.00 10.00 H new ATOM 0 HH TYR A 81 5.412 -0.419 -0.557 1.00 10.00 H new ATOM 1169 N TYR A 82 2.479 -0.873 -7.970 1.00 10.00 N ATOM 1170 CA TYR A 82 2.681 0.425 -8.592 1.00 10.00 C ATOM 1171 C TYR A 82 1.349 1.150 -8.792 1.00 10.00 C ATOM 1172 O TYR A 82 0.286 0.539 -8.702 1.00 10.00 O ATOM 1173 CB TYR A 82 3.307 0.145 -9.959 1.00 10.00 C ATOM 1174 CG TYR A 82 2.431 -0.708 -10.882 1.00 10.00 C ATOM 1175 CD1 TYR A 82 2.212 -2.038 -10.588 1.00 10.00 C ATOM 1176 CD2 TYR A 82 1.862 -0.146 -12.005 1.00 10.00 C ATOM 1177 CE1 TYR A 82 1.389 -2.841 -11.455 1.00 10.00 C ATOM 1178 CE2 TYR A 82 1.037 -0.948 -12.872 1.00 10.00 C ATOM 1179 CZ TYR A 82 0.842 -2.255 -12.555 1.00 10.00 C ATOM 1180 OH TYR A 82 0.064 -3.013 -13.374 1.00 10.00 O ATOM 0 H TYR A 82 1.624 -1.352 -8.252 1.00 10.00 H new ATOM 0 HA TYR A 82 3.311 1.057 -7.966 1.00 10.00 H new ATOM 0 HB2 TYR A 82 3.519 1.094 -10.451 1.00 10.00 H new ATOM 0 HB3 TYR A 82 4.262 -0.359 -9.813 1.00 10.00 H new ATOM 0 HD1 TYR A 82 2.658 -2.477 -9.708 1.00 10.00 H new ATOM 0 HD2 TYR A 82 2.035 0.895 -12.235 1.00 10.00 H new ATOM 0 HE1 TYR A 82 1.210 -3.884 -11.238 1.00 10.00 H new ATOM 0 HE2 TYR A 82 0.584 -0.520 -13.754 1.00 10.00 H new ATOM 0 HH TYR A 82 -0.260 -2.464 -14.118 1.00 10.00 H new ATOM 1190 N CYS A 83 1.451 2.443 -9.060 1.00 10.00 N ATOM 1191 CA CYS A 83 0.268 3.259 -9.275 1.00 10.00 C ATOM 1192 C CYS A 83 0.134 3.528 -10.775 1.00 10.00 C ATOM 1193 O CYS A 83 0.932 3.034 -11.570 1.00 10.00 O ATOM 1194 CB CYS A 83 0.321 4.556 -8.465 1.00 10.00 C ATOM 1195 SG CYS A 83 -0.660 4.377 -6.930 1.00 10.00 S ATOM 0 H CYS A 83 2.335 2.946 -9.133 1.00 10.00 H new ATOM 0 HA CYS A 83 -0.614 2.724 -8.924 1.00 10.00 H new ATOM 0 HB2 CYS A 83 1.355 4.799 -8.219 1.00 10.00 H new ATOM 0 HB3 CYS A 83 -0.068 5.382 -9.060 1.00 10.00 H new ATOM 1200 N GLU A 84 -0.881 4.309 -11.116 1.00 10.00 N ATOM 1201 CA GLU A 84 -1.129 4.648 -12.507 1.00 10.00 C ATOM 1202 C GLU A 84 -2.217 5.719 -12.606 1.00 10.00 C ATOM 1203 O GLU A 84 -1.972 6.814 -13.108 1.00 10.00 O ATOM 1204 CB GLU A 84 -1.506 3.407 -13.316 1.00 10.00 C ATOM 1205 CG GLU A 84 -0.420 3.064 -14.337 1.00 10.00 C ATOM 1206 CD GLU A 84 -0.696 1.714 -15.000 1.00 10.00 C ATOM 1207 OE1 GLU A 84 -1.778 1.153 -14.719 1.00 10.00 O ATOM 1208 OE2 GLU A 84 0.181 1.272 -15.774 1.00 10.00 O ATOM 0 H GLU A 84 -1.541 4.716 -10.453 1.00 10.00 H new ATOM 0 HA GLU A 84 -0.210 5.051 -12.931 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -1.657 2.563 -12.643 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -2.452 3.578 -13.830 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -0.372 3.843 -15.098 1.00 10.00 H new ATOM 0 HG3 GLU A 84 0.552 3.039 -13.844 1.00 10.00 H new ATOM 1215 N PRO A 85 -3.428 5.356 -12.103 1.00 10.00 N ATOM 1216 CA PRO A 85 -4.555 6.273 -12.129 1.00 10.00 C ATOM 1217 C PRO A 85 -4.401 7.361 -11.066 1.00 10.00 C ATOM 1218 O PRO A 85 -5.312 7.591 -10.270 1.00 10.00 O ATOM 1219 CB PRO A 85 -5.779 5.398 -11.913 1.00 10.00 C ATOM 1220 CG PRO A 85 -5.263 4.101 -11.312 1.00 10.00 C ATOM 1221 CD PRO A 85 -3.754 4.068 -11.499 1.00 10.00 C ATOM 0 HA PRO A 85 -4.633 6.818 -13.070 1.00 10.00 H new ATOM 0 HB2 PRO A 85 -6.492 5.882 -11.245 1.00 10.00 H new ATOM 0 HB3 PRO A 85 -6.298 5.213 -12.854 1.00 10.00 H new ATOM 0 HG2 PRO A 85 -5.518 4.043 -10.254 1.00 10.00 H new ATOM 0 HG3 PRO A 85 -5.727 3.243 -11.799 1.00 10.00 H new ATOM 0 HD2 PRO A 85 -3.240 3.935 -10.547 1.00 10.00 H new ATOM 0 HD3 PRO A 85 -3.453 3.241 -12.142 1.00 10.00 H new ATOM 1229 N HIS A 86 -3.242 8.003 -11.084 1.00 10.00 N ATOM 1230 CA HIS A 86 -2.957 9.062 -10.130 1.00 10.00 C ATOM 1231 C HIS A 86 -1.886 9.991 -10.702 1.00 10.00 C ATOM 1232 O HIS A 86 -0.931 10.344 -10.009 1.00 10.00 O ATOM 1233 CB HIS A 86 -2.573 8.478 -8.770 1.00 10.00 C ATOM 1234 CG HIS A 86 -1.141 8.005 -8.686 1.00 10.00 C ATOM 1235 ND1 HIS A 86 -0.571 7.548 -7.512 1.00 10.00 N ATOM 1236 CD2 HIS A 86 -0.173 7.924 -9.642 1.00 10.00 C ATOM 1237 CE1 HIS A 86 0.686 7.210 -7.761 1.00 10.00 C ATOM 1238 NE2 HIS A 86 0.930 7.443 -9.083 1.00 10.00 N ATOM 0 H HIS A 86 -2.489 7.810 -11.744 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.854 9.659 -9.963 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -2.741 9.233 -8.002 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.235 7.642 -8.545 1.00 10.00 H new ATOM 0 HD1 HIS A 86 -1.039 7.482 -6.608 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -0.285 8.204 -10.679 1.00 10.00 H new ATOM 0 HE1 HIS A 86 1.393 6.819 -7.044 1.00 10.00 H new ATOM 1246 N ARG A 87 -2.077 10.364 -11.958 1.00 10.00 N ATOM 1247 CA ARG A 87 -1.139 11.247 -12.631 1.00 10.00 C ATOM 1248 C ARG A 87 0.298 10.854 -12.284 1.00 10.00 C ATOM 1249 O ARG A 87 1.087 11.691 -11.846 1.00 10.00 O ATOM 1250 CB ARG A 87 -1.373 12.705 -12.232 1.00 10.00 C ATOM 1251 CG ARG A 87 -1.297 13.625 -13.451 1.00 10.00 C ATOM 1252 CD ARG A 87 -0.178 14.656 -13.292 1.00 10.00 C ATOM 1253 NE ARG A 87 -0.399 15.791 -14.216 1.00 10.00 N ATOM 1254 CZ ARG A 87 0.274 16.948 -14.160 1.00 10.00 C ATOM 1255 NH1 ARG A 87 1.214 17.131 -13.223 1.00 10.00 N ATOM 1256 NH2 ARG A 87 0.007 17.922 -15.039 1.00 10.00 N ATOM 0 H ARG A 87 -2.869 10.070 -12.529 1.00 10.00 H new ATOM 0 HA ARG A 87 -1.298 11.147 -13.705 1.00 10.00 H new ATOM 0 HB2 ARG A 87 -2.349 12.804 -11.758 1.00 10.00 H new ATOM 0 HB3 ARG A 87 -0.629 13.008 -11.496 1.00 10.00 H new ATOM 0 HG2 ARG A 87 -1.124 13.031 -14.349 1.00 10.00 H new ATOM 0 HG3 ARG A 87 -2.250 14.136 -13.585 1.00 10.00 H new ATOM 0 HD2 ARG A 87 -0.147 15.015 -12.263 1.00 10.00 H new ATOM 0 HD3 ARG A 87 0.787 14.192 -13.497 1.00 10.00 H new ATOM 0 HE ARG A 87 -1.109 15.686 -14.941 1.00 10.00 H new ATOM 0 HH11 ARG A 87 1.417 16.390 -12.553 1.00 10.00 H new ATOM 0 HH12 ARG A 87 1.727 18.012 -13.180 1.00 10.00 H new ATOM 0 HH21 ARG A 87 -0.709 17.783 -15.752 1.00 10.00 H new ATOM 0 HH22 ARG A 87 0.520 18.803 -14.996 1.00 10.00 H new ATOM 1270 N GLY A 88 0.597 9.580 -12.492 1.00 10.00 N ATOM 1271 CA GLY A 88 1.926 9.067 -12.208 1.00 10.00 C ATOM 1272 C GLY A 88 1.946 7.538 -12.259 1.00 10.00 C ATOM 1273 O GLY A 88 0.966 6.914 -12.664 1.00 10.00 O ATOM 0 H GLY A 88 -0.059 8.888 -12.854 1.00 10.00 H new ATOM 0 HA2 GLY A 88 2.637 9.468 -12.931 1.00 10.00 H new ATOM 0 HA3 GLY A 88 2.248 9.406 -11.223 1.00 10.00 H new ATOM 1277 N ALA A 89 3.073 6.978 -11.843 1.00 10.00 N ATOM 1278 CA ALA A 89 3.232 5.534 -11.836 1.00 10.00 C ATOM 1279 C ALA A 89 4.375 5.156 -10.890 1.00 10.00 C ATOM 1280 O ALA A 89 4.247 4.224 -10.098 1.00 10.00 O ATOM 1281 CB ALA A 89 3.470 5.039 -13.264 1.00 10.00 C ATOM 0 H ALA A 89 3.884 7.498 -11.509 1.00 10.00 H new ATOM 0 HA ALA A 89 2.326 5.050 -11.470 1.00 10.00 H new ATOM 0 HB1 ALA A 89 3.589 3.956 -13.258 1.00 10.00 H new ATOM 0 HB2 ALA A 89 2.618 5.307 -13.889 1.00 10.00 H new ATOM 0 HB3 ALA A 89 4.373 5.501 -13.664 1.00 10.00 H new ATOM 1287 N GLY A 90 5.466 5.900 -11.005 1.00 10.00 N ATOM 1288 CA GLY A 90 6.629 5.654 -10.170 1.00 10.00 C ATOM 1289 C GLY A 90 6.214 5.256 -8.753 1.00 10.00 C ATOM 1290 O GLY A 90 5.420 5.948 -8.117 1.00 10.00 O ATOM 0 H GLY A 90 5.569 6.672 -11.663 1.00 10.00 H new ATOM 0 HA2 GLY A 90 7.236 4.863 -10.610 1.00 10.00 H new ATOM 0 HA3 GLY A 90 7.250 6.549 -10.133 1.00 10.00 H new ATOM 1294 N MET A 91 6.768 4.140 -8.301 1.00 10.00 N ATOM 1295 CA MET A 91 6.464 3.640 -6.970 1.00 10.00 C ATOM 1296 C MET A 91 7.281 2.386 -6.656 1.00 10.00 C ATOM 1297 O MET A 91 6.719 1.334 -6.352 1.00 10.00 O ATOM 1298 CB MET A 91 4.971 3.315 -6.876 1.00 10.00 C ATOM 1299 CG MET A 91 4.374 3.859 -5.576 1.00 10.00 C ATOM 1300 SD MET A 91 2.697 4.403 -5.856 1.00 10.00 S ATOM 1301 CE MET A 91 1.812 2.913 -5.434 1.00 10.00 C ATOM 0 H MET A 91 7.425 3.568 -8.832 1.00 10.00 H new ATOM 0 HA MET A 91 6.724 4.410 -6.244 1.00 10.00 H new ATOM 0 HB2 MET A 91 4.447 3.745 -7.729 1.00 10.00 H new ATOM 0 HB3 MET A 91 4.826 2.236 -6.924 1.00 10.00 H new ATOM 0 HG2 MET A 91 4.391 3.087 -4.807 1.00 10.00 H new ATOM 0 HG3 MET A 91 4.978 4.689 -5.208 1.00 10.00 H new ATOM 0 HE1 MET A 91 0.901 3.171 -4.894 1.00 10.00 H new ATOM 0 HE2 MET A 91 1.553 2.373 -6.345 1.00 10.00 H new ATOM 0 HE3 MET A 91 2.440 2.282 -4.805 1.00 10.00 H new ATOM 1311 N VAL A 92 8.594 2.537 -6.741 1.00 10.00 N ATOM 1312 CA VAL A 92 9.495 1.429 -6.470 1.00 10.00 C ATOM 1313 C VAL A 92 9.009 0.674 -5.232 1.00 10.00 C ATOM 1314 O VAL A 92 9.244 -0.526 -5.101 1.00 10.00 O ATOM 1315 CB VAL A 92 10.930 1.941 -6.333 1.00 10.00 C ATOM 1316 CG1 VAL A 92 11.887 0.804 -5.975 1.00 10.00 C ATOM 1317 CG2 VAL A 92 11.380 2.658 -7.608 1.00 10.00 C ATOM 0 H VAL A 92 9.056 3.410 -6.994 1.00 10.00 H new ATOM 0 HA VAL A 92 9.494 0.725 -7.302 1.00 10.00 H new ATOM 0 HB VAL A 92 10.951 2.664 -5.517 1.00 10.00 H new ATOM 0 HG11 VAL A 92 12.900 1.196 -5.884 1.00 10.00 H new ATOM 0 HG12 VAL A 92 11.584 0.358 -5.028 1.00 10.00 H new ATOM 0 HG13 VAL A 92 11.860 0.046 -6.758 1.00 10.00 H new ATOM 0 HG21 VAL A 92 12.403 3.012 -7.484 1.00 10.00 H new ATOM 0 HG22 VAL A 92 11.334 1.967 -8.450 1.00 10.00 H new ATOM 0 HG23 VAL A 92 10.723 3.506 -7.799 1.00 10.00 H new ATOM 1327 N GLY A 93 8.341 1.408 -4.354 1.00 10.00 N ATOM 1328 CA GLY A 93 7.820 0.823 -3.131 1.00 10.00 C ATOM 1329 C GLY A 93 7.339 -0.610 -3.369 1.00 10.00 C ATOM 1330 O GLY A 93 6.499 -0.851 -4.234 1.00 10.00 O ATOM 0 H GLY A 93 8.149 2.403 -4.466 1.00 10.00 H new ATOM 0 HA2 GLY A 93 8.594 0.828 -2.363 1.00 10.00 H new ATOM 0 HA3 GLY A 93 6.995 1.429 -2.756 1.00 10.00 H new ATOM 1334 N LYS A 94 7.896 -1.523 -2.587 1.00 10.00 N ATOM 1335 CA LYS A 94 7.537 -2.927 -2.703 1.00 10.00 C ATOM 1336 C LYS A 94 7.502 -3.557 -1.310 1.00 10.00 C ATOM 1337 O LYS A 94 7.774 -2.886 -0.315 1.00 10.00 O ATOM 1338 CB LYS A 94 8.474 -3.643 -3.678 1.00 10.00 C ATOM 1339 CG LYS A 94 9.835 -3.909 -3.034 1.00 10.00 C ATOM 1340 CD LYS A 94 10.831 -4.454 -4.061 1.00 10.00 C ATOM 1341 CE LYS A 94 12.253 -3.983 -3.751 1.00 10.00 C ATOM 1342 NZ LYS A 94 13.245 -4.933 -4.300 1.00 10.00 N ATOM 0 H LYS A 94 8.593 -1.318 -1.871 1.00 10.00 H new ATOM 0 HA LYS A 94 6.537 -3.030 -3.125 1.00 10.00 H new ATOM 0 HB2 LYS A 94 8.026 -4.586 -3.993 1.00 10.00 H new ATOM 0 HB3 LYS A 94 8.604 -3.037 -4.575 1.00 10.00 H new ATOM 0 HG2 LYS A 94 10.222 -2.987 -2.600 1.00 10.00 H new ATOM 0 HG3 LYS A 94 9.722 -4.622 -2.218 1.00 10.00 H new ATOM 0 HD2 LYS A 94 10.797 -5.543 -4.062 1.00 10.00 H new ATOM 0 HD3 LYS A 94 10.545 -4.125 -5.060 1.00 10.00 H new ATOM 0 HE2 LYS A 94 12.415 -2.993 -4.176 1.00 10.00 H new ATOM 0 HE3 LYS A 94 12.385 -3.892 -2.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 94 14.205 -4.598 -4.081 1.00 10.00 H new ATOM 0 HZ2 LYS A 94 13.100 -5.871 -3.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 94 13.129 -4.999 -5.331 1.00 10.00 H new ATOM 1356 N VAL A 95 7.166 -4.838 -1.282 1.00 10.00 N ATOM 1357 CA VAL A 95 7.093 -5.566 -0.027 1.00 10.00 C ATOM 1358 C VAL A 95 7.993 -6.800 -0.104 1.00 10.00 C ATOM 1359 O VAL A 95 8.333 -7.258 -1.194 1.00 10.00 O ATOM 1360 CB VAL A 95 5.637 -5.908 0.297 1.00 10.00 C ATOM 1361 CG1 VAL A 95 5.477 -6.288 1.769 1.00 10.00 C ATOM 1362 CG2 VAL A 95 4.707 -4.751 -0.075 1.00 10.00 C ATOM 0 H VAL A 95 6.941 -5.391 -2.109 1.00 10.00 H new ATOM 0 HA VAL A 95 7.458 -4.948 0.793 1.00 10.00 H new ATOM 0 HB VAL A 95 5.354 -6.772 -0.304 1.00 10.00 H new ATOM 0 HG11 VAL A 95 4.433 -6.526 1.972 1.00 10.00 H new ATOM 0 HG12 VAL A 95 6.097 -7.157 1.990 1.00 10.00 H new ATOM 0 HG13 VAL A 95 5.787 -5.452 2.396 1.00 10.00 H new ATOM 0 HG21 VAL A 95 3.678 -5.019 0.165 1.00 10.00 H new ATOM 0 HG22 VAL A 95 4.991 -3.861 0.487 1.00 10.00 H new ATOM 0 HG23 VAL A 95 4.789 -4.547 -1.143 1.00 10.00 H new ATOM 1372 N VAL A 96 8.356 -7.304 1.067 1.00 10.00 N ATOM 1373 CA VAL A 96 9.211 -8.477 1.146 1.00 10.00 C ATOM 1374 C VAL A 96 8.783 -9.335 2.337 1.00 10.00 C ATOM 1375 O VAL A 96 9.133 -9.036 3.478 1.00 10.00 O ATOM 1376 CB VAL A 96 10.678 -8.049 1.210 1.00 10.00 C ATOM 1377 CG1 VAL A 96 11.584 -9.245 1.510 1.00 10.00 C ATOM 1378 CG2 VAL A 96 11.105 -7.349 -0.081 1.00 10.00 C ATOM 0 H VAL A 96 8.073 -6.921 1.969 1.00 10.00 H new ATOM 0 HA VAL A 96 9.105 -9.091 0.251 1.00 10.00 H new ATOM 0 HB VAL A 96 10.782 -7.334 2.027 1.00 10.00 H new ATOM 0 HG11 VAL A 96 12.622 -8.914 1.550 1.00 10.00 H new ATOM 0 HG12 VAL A 96 11.305 -9.681 2.469 1.00 10.00 H new ATOM 0 HG13 VAL A 96 11.472 -9.993 0.725 1.00 10.00 H new ATOM 0 HG21 VAL A 96 12.152 -7.056 -0.007 1.00 10.00 H new ATOM 0 HG22 VAL A 96 10.977 -8.029 -0.923 1.00 10.00 H new ATOM 0 HG23 VAL A 96 10.490 -6.462 -0.235 1.00 10.00 H new ATOM 1388 N VAL A 97 8.034 -10.383 2.033 1.00 10.00 N ATOM 1389 CA VAL A 97 7.555 -11.287 3.064 1.00 10.00 C ATOM 1390 C VAL A 97 8.622 -12.350 3.340 1.00 10.00 C ATOM 1391 O VAL A 97 9.154 -12.956 2.412 1.00 10.00 O ATOM 1392 CB VAL A 97 6.209 -11.886 2.653 1.00 10.00 C ATOM 1393 CG1 VAL A 97 5.513 -12.539 3.847 1.00 10.00 C ATOM 1394 CG2 VAL A 97 5.313 -10.825 2.008 1.00 10.00 C ATOM 0 H VAL A 97 7.746 -10.627 1.085 1.00 10.00 H new ATOM 0 HA VAL A 97 7.384 -10.747 3.995 1.00 10.00 H new ATOM 0 HB VAL A 97 6.398 -12.662 1.911 1.00 10.00 H new ATOM 0 HG11 VAL A 97 4.558 -12.957 3.528 1.00 10.00 H new ATOM 0 HG12 VAL A 97 6.143 -13.335 4.245 1.00 10.00 H new ATOM 0 HG13 VAL A 97 5.341 -11.791 4.621 1.00 10.00 H new ATOM 0 HG21 VAL A 97 4.362 -11.276 1.724 1.00 10.00 H new ATOM 0 HG22 VAL A 97 5.135 -10.018 2.719 1.00 10.00 H new ATOM 0 HG23 VAL A 97 5.804 -10.425 1.121 1.00 10.00 H new ATOM 1404 N ASP A 98 8.903 -12.540 4.621 1.00 10.00 N ATOM 1405 CA ASP A 98 9.896 -13.518 5.031 1.00 10.00 C ATOM 1406 C ASP A 98 9.194 -14.710 5.685 1.00 10.00 C ATOM 1407 O ASP A 98 7.966 -14.741 5.771 1.00 10.00 O ATOM 1408 CB ASP A 98 10.867 -12.924 6.052 1.00 10.00 C ATOM 1409 CG ASP A 98 11.820 -13.929 6.703 1.00 10.00 C ATOM 1410 OD1 ASP A 98 12.260 -14.845 5.975 1.00 10.00 O ATOM 1411 OD2 ASP A 98 12.085 -13.759 7.912 1.00 10.00 O ATOM 0 H ASP A 98 8.461 -12.034 5.388 1.00 10.00 H new ATOM 0 HA ASP A 98 10.449 -13.826 4.144 1.00 10.00 H new ATOM 0 HB2 ASP A 98 11.459 -12.152 5.561 1.00 10.00 H new ATOM 0 HB3 ASP A 98 10.290 -12.433 6.836 1.00 10.00 H new TER 1416 ASP A 98 HETATM 1417 CU CU A 99 0.258 6.356 -5.644 1.00 10.00 CU