USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 675 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 23 GLN : amide:sc= -2.56 K(o=-4.2,f=0.17) USER MOD Set 1.2: A 72 GLN : amide:sc= -1.67 K(o=-4.2,f=0.17) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -71:sc= 0.022 USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.762) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0373 K(o=0.037,f=-5.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.184 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.843 K(o=-0.84,f=-3.4!) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.468 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.4) USER MOD Single : A 51 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.47) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0924 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.679 -24.311 -28.774 1.00 0.00 N ATOM 2 CA GLY A 1 -2.271 -24.893 -27.509 1.00 0.00 C ATOM 3 C GLY A 1 -0.779 -25.159 -27.447 1.00 0.00 C ATOM 4 O GLY A 1 -0.302 -26.174 -27.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.706 -24.148 -28.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.186 -23.406 -28.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.437 -24.961 -29.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.551 -24.222 -26.697 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.810 -25.827 -27.352 1.00 0.00 H new ATOM 8 N SER A 2 -0.041 -24.241 -26.829 1.00 0.00 N ATOM 9 CA SER A 2 1.405 -24.379 -26.707 1.00 0.00 C ATOM 10 C SER A 2 1.862 -24.081 -25.283 1.00 0.00 C ATOM 11 O SER A 2 1.189 -23.365 -24.540 1.00 0.00 O ATOM 12 CB SER A 2 2.112 -23.441 -27.689 1.00 0.00 C ATOM 13 OG SER A 2 2.134 -23.991 -28.994 1.00 0.00 O ATOM 0 H SER A 2 -0.421 -23.395 -26.406 1.00 0.00 H new ATOM 0 HA SER A 2 1.668 -25.410 -26.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.604 -22.477 -27.706 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.132 -23.258 -27.351 1.00 0.00 H new ATOM 0 HG SER A 2 2.589 -23.372 -29.602 1.00 0.00 H new ATOM 19 N SER A 3 3.011 -24.634 -24.909 1.00 0.00 N ATOM 20 CA SER A 3 3.557 -24.432 -23.571 1.00 0.00 C ATOM 21 C SER A 3 4.092 -23.012 -23.412 1.00 0.00 C ATOM 22 O SER A 3 4.523 -22.387 -24.380 1.00 0.00 O ATOM 23 CB SER A 3 4.671 -25.443 -23.294 1.00 0.00 C ATOM 24 OG SER A 3 5.708 -25.336 -24.255 1.00 0.00 O ATOM 0 H SER A 3 3.582 -25.225 -25.513 1.00 0.00 H new ATOM 0 HA SER A 3 2.753 -24.582 -22.850 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.077 -25.277 -22.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.261 -26.453 -23.307 1.00 0.00 H new ATOM 0 HG SER A 3 6.408 -25.991 -24.055 1.00 0.00 H new ATOM 30 N GLY A 4 4.060 -22.508 -22.183 1.00 0.00 N ATOM 31 CA GLY A 4 4.544 -21.165 -21.918 1.00 0.00 C ATOM 32 C GLY A 4 5.246 -21.055 -20.578 1.00 0.00 C ATOM 33 O GLY A 4 6.018 -21.936 -20.201 1.00 0.00 O ATOM 0 H GLY A 4 3.708 -23.005 -21.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.231 -20.867 -22.710 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.706 -20.468 -21.944 1.00 0.00 H new ATOM 37 N SER A 5 4.976 -19.972 -19.858 1.00 0.00 N ATOM 38 CA SER A 5 5.593 -19.747 -18.556 1.00 0.00 C ATOM 39 C SER A 5 4.579 -19.178 -17.567 1.00 0.00 C ATOM 40 O SER A 5 4.062 -18.077 -17.756 1.00 0.00 O ATOM 41 CB SER A 5 6.783 -18.794 -18.688 1.00 0.00 C ATOM 42 OG SER A 5 7.907 -19.458 -19.240 1.00 0.00 O ATOM 0 H SER A 5 4.334 -19.236 -20.154 1.00 0.00 H new ATOM 0 HA SER A 5 5.946 -20.706 -18.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.509 -17.949 -19.320 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.040 -18.389 -17.709 1.00 0.00 H new ATOM 0 HG SER A 5 8.654 -18.828 -19.316 1.00 0.00 H new ATOM 48 N SER A 6 4.300 -19.937 -16.512 1.00 0.00 N ATOM 49 CA SER A 6 3.346 -19.512 -15.495 1.00 0.00 C ATOM 50 C SER A 6 3.800 -18.213 -14.835 1.00 0.00 C ATOM 51 O SER A 6 3.002 -17.300 -14.623 1.00 0.00 O ATOM 52 CB SER A 6 3.178 -20.603 -14.435 1.00 0.00 C ATOM 53 OG SER A 6 2.090 -20.315 -13.575 1.00 0.00 O ATOM 0 H SER A 6 4.721 -20.850 -16.339 1.00 0.00 H new ATOM 0 HA SER A 6 2.387 -19.337 -15.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.016 -21.565 -14.921 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.094 -20.691 -13.851 1.00 0.00 H new ATOM 0 HG SER A 6 2.322 -19.558 -12.997 1.00 0.00 H new ATOM 59 N GLY A 7 5.087 -18.138 -14.511 1.00 0.00 N ATOM 60 CA GLY A 7 5.625 -16.948 -13.878 1.00 0.00 C ATOM 61 C GLY A 7 5.152 -16.789 -12.446 1.00 0.00 C ATOM 62 O GLY A 7 5.883 -17.098 -11.505 1.00 0.00 O ATOM 0 H GLY A 7 5.767 -18.880 -14.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.714 -16.992 -13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.332 -16.070 -14.454 1.00 0.00 H new ATOM 66 N LYS A 8 3.926 -16.304 -12.280 1.00 0.00 N ATOM 67 CA LYS A 8 3.356 -16.103 -10.953 1.00 0.00 C ATOM 68 C LYS A 8 2.577 -17.335 -10.504 1.00 0.00 C ATOM 69 O LYS A 8 1.946 -18.025 -11.304 1.00 0.00 O ATOM 70 CB LYS A 8 2.440 -14.876 -10.950 1.00 0.00 C ATOM 71 CG LYS A 8 1.166 -15.068 -11.752 1.00 0.00 C ATOM 72 CD LYS A 8 0.120 -14.024 -11.396 1.00 0.00 C ATOM 73 CE LYS A 8 0.324 -12.740 -12.186 1.00 0.00 C ATOM 74 NZ LYS A 8 1.317 -11.842 -11.538 1.00 0.00 N ATOM 0 H LYS A 8 3.308 -16.043 -13.048 1.00 0.00 H new ATOM 0 HA LYS A 8 4.175 -15.938 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.178 -14.631 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.987 -14.023 -11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.393 -15.009 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.765 -16.064 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.875 -14.421 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.169 -13.808 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.658 -12.983 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.628 -12.218 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.913 -10.888 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.556 -12.211 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.177 -11.798 -12.121 1.00 0.00 H new ATOM 88 N PRO A 9 2.620 -17.617 -9.193 1.00 0.00 N ATOM 89 CA PRO A 9 1.920 -18.765 -8.607 1.00 0.00 C ATOM 90 C PRO A 9 0.406 -18.590 -8.621 1.00 0.00 C ATOM 91 O PRO A 9 -0.116 -17.478 -8.526 1.00 0.00 O ATOM 92 CB PRO A 9 2.442 -18.802 -7.169 1.00 0.00 C ATOM 93 CG PRO A 9 2.853 -17.399 -6.879 1.00 0.00 C ATOM 94 CD PRO A 9 3.351 -16.837 -8.181 1.00 0.00 C ATOM 0 HA PRO A 9 2.104 -19.683 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.671 -19.140 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.282 -19.489 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.014 -16.817 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.632 -17.370 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.139 -15.771 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.430 -16.957 -8.284 1.00 0.00 H new ATOM 102 N PRO A 10 -0.319 -19.712 -8.743 1.00 0.00 N ATOM 103 CA PRO A 10 -1.785 -19.708 -8.770 1.00 0.00 C ATOM 104 C PRO A 10 -2.390 -19.346 -7.418 1.00 0.00 C ATOM 105 O PRO A 10 -3.610 -19.248 -7.277 1.00 0.00 O ATOM 106 CB PRO A 10 -2.136 -21.151 -9.144 1.00 0.00 C ATOM 107 CG PRO A 10 -0.968 -21.956 -8.689 1.00 0.00 C ATOM 108 CD PRO A 10 0.236 -21.070 -8.860 1.00 0.00 C ATOM 0 HA PRO A 10 -2.178 -18.965 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.054 -21.474 -8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.294 -21.254 -10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.085 -22.260 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.869 -22.868 -9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.989 -21.263 -8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.715 -21.226 -9.826 1.00 0.00 H new ATOM 116 N THR A 11 -1.529 -19.150 -6.424 1.00 0.00 N ATOM 117 CA THR A 11 -1.978 -18.800 -5.082 1.00 0.00 C ATOM 118 C THR A 11 -1.240 -17.574 -4.557 1.00 0.00 C ATOM 119 O THR A 11 -0.014 -17.574 -4.451 1.00 0.00 O ATOM 120 CB THR A 11 -1.775 -19.968 -4.098 1.00 0.00 C ATOM 121 OG1 THR A 11 -2.261 -21.184 -4.676 1.00 0.00 O ATOM 122 CG2 THR A 11 -2.493 -19.701 -2.785 1.00 0.00 C ATOM 0 H THR A 11 -0.517 -19.228 -6.523 1.00 0.00 H new ATOM 0 HA THR A 11 -3.042 -18.577 -5.154 1.00 0.00 H new ATOM 0 HB THR A 11 -0.708 -20.063 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.127 -21.922 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.335 -20.540 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.099 -18.790 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.560 -19.582 -2.972 1.00 0.00 H new ATOM 130 N TYR A 12 -1.994 -16.531 -4.229 1.00 0.00 N ATOM 131 CA TYR A 12 -1.410 -15.297 -3.717 1.00 0.00 C ATOM 132 C TYR A 12 -0.354 -15.594 -2.657 1.00 0.00 C ATOM 133 O TYR A 12 -0.663 -16.108 -1.583 1.00 0.00 O ATOM 134 CB TYR A 12 -2.500 -14.399 -3.129 1.00 0.00 C ATOM 135 CG TYR A 12 -3.045 -14.893 -1.807 1.00 0.00 C ATOM 136 CD1 TYR A 12 -4.109 -15.787 -1.763 1.00 0.00 C ATOM 137 CD2 TYR A 12 -2.497 -14.467 -0.604 1.00 0.00 C ATOM 138 CE1 TYR A 12 -4.610 -16.240 -0.559 1.00 0.00 C ATOM 139 CE2 TYR A 12 -2.992 -14.916 0.605 1.00 0.00 C ATOM 140 CZ TYR A 12 -4.048 -15.802 0.622 1.00 0.00 C ATOM 141 OH TYR A 12 -4.545 -16.253 1.824 1.00 0.00 O ATOM 0 H TYR A 12 -3.011 -16.515 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.930 -14.779 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.098 -13.395 -2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.319 -14.321 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.551 -16.133 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.670 -13.773 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.438 -16.934 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.554 -14.575 1.532 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.038 -15.850 2.559 1.00 0.00 H new ATOM 151 N GLN A 13 0.896 -15.263 -2.967 1.00 0.00 N ATOM 152 CA GLN A 13 1.999 -15.494 -2.043 1.00 0.00 C ATOM 153 C GLN A 13 1.656 -14.982 -0.648 1.00 0.00 C ATOM 154 O GLN A 13 0.952 -13.984 -0.497 1.00 0.00 O ATOM 155 CB GLN A 13 3.270 -14.812 -2.551 1.00 0.00 C ATOM 156 CG GLN A 13 3.173 -13.295 -2.587 1.00 0.00 C ATOM 157 CD GLN A 13 2.312 -12.791 -3.728 1.00 0.00 C ATOM 158 OE1 GLN A 13 1.992 -13.536 -4.655 1.00 0.00 O ATOM 159 NE2 GLN A 13 1.932 -11.520 -3.668 1.00 0.00 N ATOM 0 H GLN A 13 1.169 -14.834 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 13 2.171 -16.569 -1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.106 -15.099 -1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.493 -15.178 -3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.762 -12.939 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.174 -12.873 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.220 -10.938 -2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.352 -11.126 -4.409 1.00 0.00 H new ATOM 168 N VAL A 14 2.158 -15.673 0.371 1.00 0.00 N ATOM 169 CA VAL A 14 1.906 -15.288 1.754 1.00 0.00 C ATOM 170 C VAL A 14 2.779 -14.106 2.164 1.00 0.00 C ATOM 171 O VAL A 14 3.914 -14.283 2.606 1.00 0.00 O ATOM 172 CB VAL A 14 2.163 -16.461 2.719 1.00 0.00 C ATOM 173 CG1 VAL A 14 1.977 -16.016 4.162 1.00 0.00 C ATOM 174 CG2 VAL A 14 1.247 -17.630 2.391 1.00 0.00 C ATOM 0 H VAL A 14 2.742 -16.503 0.264 1.00 0.00 H new ATOM 0 HA VAL A 14 0.857 -14.999 1.816 1.00 0.00 H new ATOM 0 HB VAL A 14 3.194 -16.791 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.163 -16.858 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.678 -15.212 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.957 -15.659 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.442 -18.450 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.208 -17.315 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.434 -17.964 1.370 1.00 0.00 H new ATOM 184 N LEU A 15 2.241 -12.900 2.014 1.00 0.00 N ATOM 185 CA LEU A 15 2.970 -11.689 2.370 1.00 0.00 C ATOM 186 C LEU A 15 2.301 -10.973 3.539 1.00 0.00 C ATOM 187 O LEU A 15 1.250 -11.397 4.018 1.00 0.00 O ATOM 188 CB LEU A 15 3.057 -10.750 1.164 1.00 0.00 C ATOM 189 CG LEU A 15 1.751 -10.074 0.746 1.00 0.00 C ATOM 190 CD1 LEU A 15 2.034 -8.765 0.026 1.00 0.00 C ATOM 191 CD2 LEU A 15 0.927 -11.001 -0.136 1.00 0.00 C ATOM 0 H LEU A 15 1.303 -12.736 1.648 1.00 0.00 H new ATOM 0 HA LEU A 15 3.977 -11.977 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.790 -9.974 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.438 -11.316 0.314 1.00 0.00 H new ATOM 0 HG LEU A 15 1.176 -9.854 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.093 -8.298 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.582 -8.096 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.631 -8.961 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.001 -10.502 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.496 -11.253 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.692 -11.913 0.413 1.00 0.00 H new ATOM 203 N GLU A 16 2.916 -9.884 3.990 1.00 0.00 N ATOM 204 CA GLU A 16 2.378 -9.110 5.103 1.00 0.00 C ATOM 205 C GLU A 16 2.144 -7.659 4.692 1.00 0.00 C ATOM 206 O GLU A 16 2.568 -6.731 5.381 1.00 0.00 O ATOM 207 CB GLU A 16 3.329 -9.166 6.299 1.00 0.00 C ATOM 208 CG GLU A 16 3.283 -10.484 7.054 1.00 0.00 C ATOM 209 CD GLU A 16 1.904 -10.794 7.602 1.00 0.00 C ATOM 210 OE1 GLU A 16 1.197 -9.843 7.998 1.00 0.00 O ATOM 211 OE2 GLU A 16 1.531 -11.985 7.636 1.00 0.00 O ATOM 0 H GLU A 16 3.786 -9.518 3.603 1.00 0.00 H new ATOM 0 HA GLU A 16 1.422 -9.548 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.347 -8.992 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.084 -8.355 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.596 -11.290 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.998 -10.453 7.876 1.00 0.00 H new ATOM 218 N TYR A 17 1.468 -7.471 3.565 1.00 0.00 N ATOM 219 CA TYR A 17 1.180 -6.133 3.059 1.00 0.00 C ATOM 220 C TYR A 17 -0.159 -6.103 2.330 1.00 0.00 C ATOM 221 O TYR A 17 -0.518 -7.047 1.627 1.00 0.00 O ATOM 222 CB TYR A 17 2.294 -5.669 2.120 1.00 0.00 C ATOM 223 CG TYR A 17 3.683 -5.870 2.684 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.295 -7.116 2.650 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.384 -4.812 3.251 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.564 -7.303 3.165 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.653 -4.989 3.766 1.00 0.00 C ATOM 228 CZ TYR A 17 6.239 -6.237 3.722 1.00 0.00 C ATOM 229 OH TYR A 17 7.502 -6.419 4.234 1.00 0.00 O ATOM 0 H TYR A 17 1.109 -8.228 2.983 1.00 0.00 H new ATOM 0 HA TYR A 17 1.125 -5.455 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.212 -6.210 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.152 -4.612 1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.771 -7.953 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.928 -3.834 3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.025 -8.279 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.184 -4.155 4.201 1.00 0.00 H new ATOM 0 HH TYR A 17 7.837 -5.569 4.588 1.00 0.00 H new ATOM 239 N GLY A 18 -0.896 -5.010 2.502 1.00 0.00 N ATOM 240 CA GLY A 18 -2.187 -4.874 1.854 1.00 0.00 C ATOM 241 C GLY A 18 -2.066 -4.633 0.363 1.00 0.00 C ATOM 242 O GLY A 18 -0.964 -4.451 -0.154 1.00 0.00 O ATOM 0 H GLY A 18 -0.621 -4.215 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.773 -5.777 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.733 -4.048 2.309 1.00 0.00 H new ATOM 246 N GLU A 19 -3.201 -4.632 -0.329 1.00 0.00 N ATOM 247 CA GLU A 19 -3.215 -4.415 -1.771 1.00 0.00 C ATOM 248 C GLU A 19 -4.225 -3.334 -2.148 1.00 0.00 C ATOM 249 O GLU A 19 -5.363 -3.344 -1.681 1.00 0.00 O ATOM 250 CB GLU A 19 -3.547 -5.716 -2.504 1.00 0.00 C ATOM 251 CG GLU A 19 -3.410 -5.617 -4.013 1.00 0.00 C ATOM 252 CD GLU A 19 -2.013 -5.960 -4.495 1.00 0.00 C ATOM 253 OE1 GLU A 19 -1.542 -7.079 -4.199 1.00 0.00 O ATOM 254 OE2 GLU A 19 -1.392 -5.111 -5.168 1.00 0.00 O ATOM 0 H GLU A 19 -4.122 -4.779 0.085 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.221 -4.082 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.891 -6.506 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.567 -6.011 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.128 -6.288 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.662 -4.606 -4.332 1.00 0.00 H new ATOM 261 N ALA A 20 -3.798 -2.402 -2.994 1.00 0.00 N ATOM 262 CA ALA A 20 -4.663 -1.316 -3.434 1.00 0.00 C ATOM 263 C ALA A 20 -4.355 -0.917 -4.874 1.00 0.00 C ATOM 264 O ALA A 20 -3.244 -1.126 -5.362 1.00 0.00 O ATOM 265 CB ALA A 20 -4.518 -0.116 -2.510 1.00 0.00 C ATOM 0 H ALA A 20 -2.858 -2.378 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.694 -1.668 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.171 0.687 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.796 -0.402 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.484 0.228 -2.520 1.00 0.00 H new ATOM 271 N VAL A 21 -5.345 -0.340 -5.549 1.00 0.00 N ATOM 272 CA VAL A 21 -5.178 0.089 -6.932 1.00 0.00 C ATOM 273 C VAL A 21 -5.585 1.547 -7.108 1.00 0.00 C ATOM 274 O VAL A 21 -6.604 1.986 -6.575 1.00 0.00 O ATOM 275 CB VAL A 21 -6.006 -0.785 -7.893 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.156 -0.098 -9.243 1.00 0.00 C ATOM 277 CG2 VAL A 21 -5.368 -2.156 -8.051 1.00 0.00 C ATOM 0 H VAL A 21 -6.270 -0.159 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.121 -0.020 -7.173 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.001 -0.920 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.744 -0.730 -9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.661 0.859 -9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.170 0.070 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.967 -2.759 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.361 -2.045 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.318 -2.648 -7.080 1.00 0.00 H new ATOM 287 N ALA A 22 -4.782 2.294 -7.859 1.00 0.00 N ATOM 288 CA ALA A 22 -5.061 3.702 -8.108 1.00 0.00 C ATOM 289 C ALA A 22 -6.298 3.872 -8.983 1.00 0.00 C ATOM 290 O ALA A 22 -6.345 3.377 -10.108 1.00 0.00 O ATOM 291 CB ALA A 22 -3.858 4.371 -8.757 1.00 0.00 C ATOM 0 H ALA A 22 -3.933 1.947 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.258 4.182 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.080 5.423 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.996 4.291 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.635 3.879 -9.704 1.00 0.00 H new ATOM 297 N GLN A 23 -7.296 4.573 -8.457 1.00 0.00 N ATOM 298 CA GLN A 23 -8.535 4.805 -9.191 1.00 0.00 C ATOM 299 C GLN A 23 -8.472 6.120 -9.961 1.00 0.00 C ATOM 300 O GLN A 23 -9.059 6.249 -11.037 1.00 0.00 O ATOM 301 CB GLN A 23 -9.727 4.820 -8.231 1.00 0.00 C ATOM 302 CG GLN A 23 -9.998 3.475 -7.579 1.00 0.00 C ATOM 303 CD GLN A 23 -10.146 2.355 -8.590 1.00 0.00 C ATOM 304 OE1 GLN A 23 -11.029 2.389 -9.447 1.00 0.00 O ATOM 305 NE2 GLN A 23 -9.279 1.354 -8.496 1.00 0.00 N ATOM 0 H GLN A 23 -7.272 4.990 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.663 3.991 -9.905 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.547 5.562 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.617 5.137 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.183 3.237 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.907 3.542 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.563 1.366 -7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.329 0.573 -9.150 1.00 0.00 H new ATOM 314 N TYR A 24 -7.759 7.093 -9.406 1.00 0.00 N ATOM 315 CA TYR A 24 -7.621 8.398 -10.041 1.00 0.00 C ATOM 316 C TYR A 24 -6.182 8.897 -9.957 1.00 0.00 C ATOM 317 O TYR A 24 -5.544 8.813 -8.906 1.00 0.00 O ATOM 318 CB TYR A 24 -8.563 9.409 -9.384 1.00 0.00 C ATOM 319 CG TYR A 24 -9.991 8.926 -9.277 1.00 0.00 C ATOM 320 CD1 TYR A 24 -10.386 8.084 -8.245 1.00 0.00 C ATOM 321 CD2 TYR A 24 -10.947 9.313 -10.209 1.00 0.00 C ATOM 322 CE1 TYR A 24 -11.690 7.639 -8.144 1.00 0.00 C ATOM 323 CE2 TYR A 24 -12.254 8.874 -10.115 1.00 0.00 C ATOM 324 CZ TYR A 24 -12.620 8.038 -9.081 1.00 0.00 C ATOM 325 OH TYR A 24 -13.921 7.598 -8.984 1.00 0.00 O ATOM 0 H TYR A 24 -7.267 7.003 -8.517 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.887 8.292 -11.093 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.192 9.643 -8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.544 10.336 -9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.661 7.772 -7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.664 9.968 -11.020 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.979 6.983 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.985 9.184 -10.847 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.448 7.971 -9.721 1.00 0.00 H new ATOM 335 N THR A 25 -5.676 9.417 -11.070 1.00 0.00 N ATOM 336 CA THR A 25 -4.313 9.929 -11.124 1.00 0.00 C ATOM 337 C THR A 25 -4.119 11.082 -10.146 1.00 0.00 C ATOM 338 O THR A 25 -4.686 12.160 -10.323 1.00 0.00 O ATOM 339 CB THR A 25 -3.948 10.407 -12.542 1.00 0.00 C ATOM 340 OG1 THR A 25 -4.193 9.362 -13.490 1.00 0.00 O ATOM 341 CG2 THR A 25 -2.489 10.830 -12.612 1.00 0.00 C ATOM 0 H THR A 25 -6.190 9.495 -11.947 1.00 0.00 H new ATOM 0 HA THR A 25 -3.655 9.106 -10.845 1.00 0.00 H new ATOM 0 HB THR A 25 -4.571 11.268 -12.782 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.960 9.675 -14.389 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.255 11.164 -13.623 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.313 11.646 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.852 9.984 -12.352 1.00 0.00 H new ATOM 349 N PHE A 26 -3.314 10.848 -9.115 1.00 0.00 N ATOM 350 CA PHE A 26 -3.046 11.868 -8.109 1.00 0.00 C ATOM 351 C PHE A 26 -1.779 12.647 -8.448 1.00 0.00 C ATOM 352 O PHE A 26 -0.998 12.241 -9.309 1.00 0.00 O ATOM 353 CB PHE A 26 -2.909 11.226 -6.726 1.00 0.00 C ATOM 354 CG PHE A 26 -2.641 12.217 -5.629 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.667 12.996 -5.117 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.366 12.369 -5.110 1.00 0.00 C ATOM 357 CE1 PHE A 26 -3.423 13.909 -4.108 1.00 0.00 C ATOM 358 CE2 PHE A 26 -1.117 13.280 -4.101 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.147 14.051 -3.599 1.00 0.00 C ATOM 0 H PHE A 26 -2.836 9.961 -8.955 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.886 12.562 -8.099 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.824 10.680 -6.496 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.100 10.496 -6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.667 12.889 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.557 11.768 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.230 14.511 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.118 13.389 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.955 14.763 -2.810 1.00 0.00 H new ATOM 369 N LYS A 27 -1.582 13.770 -7.766 1.00 0.00 N ATOM 370 CA LYS A 27 -0.411 14.609 -7.992 1.00 0.00 C ATOM 371 C LYS A 27 -0.017 15.349 -6.719 1.00 0.00 C ATOM 372 O LYS A 27 -0.715 16.264 -6.280 1.00 0.00 O ATOM 373 CB LYS A 27 -0.686 15.612 -9.114 1.00 0.00 C ATOM 374 CG LYS A 27 0.467 16.567 -9.373 1.00 0.00 C ATOM 375 CD LYS A 27 0.188 17.468 -10.563 1.00 0.00 C ATOM 376 CE LYS A 27 1.458 18.135 -11.067 1.00 0.00 C ATOM 377 NZ LYS A 27 1.163 19.325 -11.913 1.00 0.00 N ATOM 0 H LYS A 27 -2.219 14.121 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 27 0.416 13.963 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.908 15.066 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.576 16.190 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.641 17.177 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.379 15.998 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.260 16.883 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.538 18.231 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.071 18.436 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.042 17.416 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.055 19.751 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.599 19.034 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.628 20.022 -11.357 1.00 0.00 H new ATOM 391 N GLY A 28 1.106 14.951 -6.130 1.00 0.00 N ATOM 392 CA GLY A 28 1.573 15.589 -4.914 1.00 0.00 C ATOM 393 C GLY A 28 3.034 15.984 -4.991 1.00 0.00 C ATOM 394 O GLY A 28 3.884 15.178 -5.371 1.00 0.00 O ATOM 0 H GLY A 28 1.701 14.197 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.970 16.476 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.427 14.912 -4.073 1.00 0.00 H new ATOM 398 N ASP A 29 3.329 17.228 -4.631 1.00 0.00 N ATOM 399 CA ASP A 29 4.698 17.730 -4.662 1.00 0.00 C ATOM 400 C ASP A 29 5.412 17.441 -3.344 1.00 0.00 C ATOM 401 O ASP A 29 6.619 17.197 -3.322 1.00 0.00 O ATOM 402 CB ASP A 29 4.708 19.234 -4.941 1.00 0.00 C ATOM 403 CG ASP A 29 5.987 19.690 -5.613 1.00 0.00 C ATOM 404 OD1 ASP A 29 6.454 18.992 -6.537 1.00 0.00 O ATOM 405 OD2 ASP A 29 6.522 20.745 -5.215 1.00 0.00 O ATOM 0 H ASP A 29 2.638 17.908 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 29 5.228 17.216 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.858 19.489 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.581 19.775 -4.003 1.00 0.00 H new ATOM 410 N LEU A 30 4.659 17.471 -2.251 1.00 0.00 N ATOM 411 CA LEU A 30 5.220 17.213 -0.929 1.00 0.00 C ATOM 412 C LEU A 30 5.663 15.759 -0.800 1.00 0.00 C ATOM 413 O LEU A 30 5.050 14.861 -1.375 1.00 0.00 O ATOM 414 CB LEU A 30 4.194 17.545 0.156 1.00 0.00 C ATOM 415 CG LEU A 30 3.766 19.010 0.250 1.00 0.00 C ATOM 416 CD1 LEU A 30 2.585 19.161 1.196 1.00 0.00 C ATOM 417 CD2 LEU A 30 4.931 19.877 0.707 1.00 0.00 C ATOM 0 H LEU A 30 3.659 17.671 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 30 6.094 17.852 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.305 16.938 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.604 17.245 1.120 1.00 0.00 H new ATOM 0 HG LEU A 30 3.457 19.343 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.294 20.210 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.746 18.571 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.867 18.811 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.609 20.916 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.270 19.544 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.750 19.793 -0.008 1.00 0.00 H new ATOM 429 N GLU A 31 6.729 15.536 -0.037 1.00 0.00 N ATOM 430 CA GLU A 31 7.252 14.191 0.168 1.00 0.00 C ATOM 431 C GLU A 31 6.135 13.226 0.555 1.00 0.00 C ATOM 432 O GLU A 31 5.918 12.211 -0.107 1.00 0.00 O ATOM 433 CB GLU A 31 8.331 14.199 1.253 1.00 0.00 C ATOM 434 CG GLU A 31 9.217 12.965 1.241 1.00 0.00 C ATOM 435 CD GLU A 31 9.883 12.739 -0.104 1.00 0.00 C ATOM 436 OE1 GLU A 31 9.992 13.709 -0.882 1.00 0.00 O ATOM 437 OE2 GLU A 31 10.295 11.591 -0.375 1.00 0.00 O ATOM 0 H GLU A 31 7.246 16.269 0.449 1.00 0.00 H new ATOM 0 HA GLU A 31 7.692 13.854 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.954 15.084 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.852 14.282 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.983 13.065 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.619 12.090 1.498 1.00 0.00 H new ATOM 444 N VAL A 32 5.427 13.551 1.633 1.00 0.00 N ATOM 445 CA VAL A 32 4.331 12.715 2.108 1.00 0.00 C ATOM 446 C VAL A 32 3.317 12.453 1.000 1.00 0.00 C ATOM 447 O VAL A 32 2.874 11.323 0.805 1.00 0.00 O ATOM 448 CB VAL A 32 3.610 13.362 3.306 1.00 0.00 C ATOM 449 CG1 VAL A 32 4.509 13.359 4.534 1.00 0.00 C ATOM 450 CG2 VAL A 32 3.168 14.775 2.960 1.00 0.00 C ATOM 0 H VAL A 32 5.593 14.387 2.193 1.00 0.00 H new ATOM 0 HA VAL A 32 4.770 11.769 2.425 1.00 0.00 H new ATOM 0 HB VAL A 32 2.721 12.775 3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.984 13.820 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.771 12.333 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.417 13.923 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.660 15.218 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.040 15.377 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.486 14.745 2.110 1.00 0.00 H new ATOM 460 N GLU A 33 2.956 13.509 0.276 1.00 0.00 N ATOM 461 CA GLU A 33 1.994 13.393 -0.813 1.00 0.00 C ATOM 462 C GLU A 33 2.595 12.632 -1.992 1.00 0.00 C ATOM 463 O GLU A 33 3.145 13.232 -2.917 1.00 0.00 O ATOM 464 CB GLU A 33 1.535 14.781 -1.268 1.00 0.00 C ATOM 465 CG GLU A 33 0.951 15.625 -0.149 1.00 0.00 C ATOM 466 CD GLU A 33 -0.407 15.129 0.308 1.00 0.00 C ATOM 467 OE1 GLU A 33 -1.375 15.249 -0.471 1.00 0.00 O ATOM 468 OE2 GLU A 33 -0.502 14.622 1.445 1.00 0.00 O ATOM 0 H GLU A 33 3.315 14.452 0.424 1.00 0.00 H new ATOM 0 HA GLU A 33 1.133 12.836 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.382 15.309 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.789 14.668 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.638 15.624 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.862 16.658 -0.486 1.00 0.00 H new ATOM 475 N LEU A 34 2.486 11.309 -1.952 1.00 0.00 N ATOM 476 CA LEU A 34 3.020 10.465 -3.015 1.00 0.00 C ATOM 477 C LEU A 34 2.182 10.593 -4.284 1.00 0.00 C ATOM 478 O LEU A 34 0.974 10.823 -4.221 1.00 0.00 O ATOM 479 CB LEU A 34 3.061 9.005 -2.562 1.00 0.00 C ATOM 480 CG LEU A 34 3.080 7.957 -3.676 1.00 0.00 C ATOM 481 CD1 LEU A 34 4.453 7.895 -4.327 1.00 0.00 C ATOM 482 CD2 LEU A 34 2.684 6.593 -3.131 1.00 0.00 C ATOM 0 H LEU A 34 2.033 10.797 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 34 4.034 10.799 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.946 8.863 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.194 8.817 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 34 2.354 8.248 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.448 7.144 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.698 8.868 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.199 7.628 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.703 5.860 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.386 6.295 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.679 6.646 -2.712 1.00 0.00 H new ATOM 494 N SER A 35 2.830 10.440 -5.434 1.00 0.00 N ATOM 495 CA SER A 35 2.146 10.539 -6.716 1.00 0.00 C ATOM 496 C SER A 35 2.063 9.176 -7.397 1.00 0.00 C ATOM 497 O SER A 35 3.014 8.394 -7.361 1.00 0.00 O ATOM 498 CB SER A 35 2.868 11.534 -7.629 1.00 0.00 C ATOM 499 OG SER A 35 3.212 12.714 -6.924 1.00 0.00 O ATOM 0 H SER A 35 3.829 10.247 -5.503 1.00 0.00 H new ATOM 0 HA SER A 35 1.133 10.895 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.769 11.073 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.229 11.785 -8.476 1.00 0.00 H new ATOM 0 HG SER A 35 3.673 13.333 -7.528 1.00 0.00 H new ATOM 505 N PHE A 36 0.920 8.898 -8.015 1.00 0.00 N ATOM 506 CA PHE A 36 0.713 7.629 -8.701 1.00 0.00 C ATOM 507 C PHE A 36 -0.294 7.784 -9.837 1.00 0.00 C ATOM 508 O PHE A 36 -1.132 8.687 -9.820 1.00 0.00 O ATOM 509 CB PHE A 36 0.226 6.565 -7.715 1.00 0.00 C ATOM 510 CG PHE A 36 -0.990 6.980 -6.937 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.183 7.254 -7.585 1.00 0.00 C ATOM 512 CD2 PHE A 36 -0.938 7.096 -5.557 1.00 0.00 C ATOM 513 CE1 PHE A 36 -3.304 7.636 -6.871 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.054 7.477 -4.838 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.239 7.749 -5.496 1.00 0.00 C ATOM 0 H PHE A 36 0.124 9.534 -8.055 1.00 0.00 H new ATOM 0 HA PHE A 36 1.667 7.313 -9.124 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.002 5.649 -8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.031 6.331 -7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.238 7.168 -8.660 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.014 6.886 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.229 7.846 -7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.001 7.562 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.112 8.049 -4.936 1.00 0.00 H new ATOM 525 N ARG A 37 -0.205 6.899 -10.825 1.00 0.00 N ATOM 526 CA ARG A 37 -1.106 6.938 -11.970 1.00 0.00 C ATOM 527 C ARG A 37 -2.242 5.932 -11.804 1.00 0.00 C ATOM 528 O ARG A 37 -2.201 5.074 -10.921 1.00 0.00 O ATOM 529 CB ARG A 37 -0.339 6.647 -13.260 1.00 0.00 C ATOM 530 CG ARG A 37 0.330 7.873 -13.862 1.00 0.00 C ATOM 531 CD ARG A 37 0.777 7.618 -15.292 1.00 0.00 C ATOM 532 NE ARG A 37 -0.340 7.648 -16.230 1.00 0.00 N ATOM 533 CZ ARG A 37 -0.200 7.850 -17.536 1.00 0.00 C ATOM 534 NH1 ARG A 37 1.005 8.038 -18.055 1.00 0.00 N ATOM 535 NH2 ARG A 37 -1.268 7.863 -18.324 1.00 0.00 N ATOM 0 H ARG A 37 0.482 6.146 -10.855 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.535 7.938 -12.028 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.420 5.892 -13.058 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.025 6.222 -13.992 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.363 8.714 -13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.191 8.154 -13.255 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.512 8.369 -15.581 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.272 6.649 -15.349 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.281 7.506 -15.863 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.827 8.028 -17.452 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.110 8.193 -19.058 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.196 7.718 -17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.160 8.018 -19.326 1.00 0.00 H new ATOM 549 N LYS A 38 -3.254 6.044 -12.656 1.00 0.00 N ATOM 550 CA LYS A 38 -4.401 5.145 -12.605 1.00 0.00 C ATOM 551 C LYS A 38 -3.999 3.728 -12.999 1.00 0.00 C ATOM 552 O LYS A 38 -3.332 3.520 -14.012 1.00 0.00 O ATOM 553 CB LYS A 38 -5.511 5.648 -13.532 1.00 0.00 C ATOM 554 CG LYS A 38 -6.770 4.799 -13.489 1.00 0.00 C ATOM 555 CD LYS A 38 -7.602 4.972 -14.749 1.00 0.00 C ATOM 556 CE LYS A 38 -8.934 4.244 -14.641 1.00 0.00 C ATOM 557 NZ LYS A 38 -9.738 4.372 -15.888 1.00 0.00 N ATOM 0 H LYS A 38 -3.304 6.749 -13.391 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.772 5.127 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.764 6.673 -13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.135 5.674 -14.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.499 3.750 -13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.365 5.073 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.779 6.033 -14.927 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.047 4.593 -15.608 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.756 3.190 -14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.500 4.646 -13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.638 3.863 -15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.930 5.377 -16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.208 3.966 -16.686 1.00 0.00 H new ATOM 571 N GLY A 39 -4.411 2.754 -12.192 1.00 0.00 N ATOM 572 CA GLY A 39 -4.085 1.368 -12.474 1.00 0.00 C ATOM 573 C GLY A 39 -2.910 0.871 -11.656 1.00 0.00 C ATOM 574 O GLY A 39 -2.926 -0.253 -11.156 1.00 0.00 O ATOM 0 H GLY A 39 -4.965 2.901 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.955 0.744 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.857 1.260 -13.534 1.00 0.00 H new ATOM 578 N GLU A 40 -1.887 1.711 -11.521 1.00 0.00 N ATOM 579 CA GLU A 40 -0.698 1.347 -10.759 1.00 0.00 C ATOM 580 C GLU A 40 -1.077 0.605 -9.480 1.00 0.00 C ATOM 581 O GLU A 40 -2.152 0.819 -8.920 1.00 0.00 O ATOM 582 CB GLU A 40 0.115 2.596 -10.415 1.00 0.00 C ATOM 583 CG GLU A 40 0.893 3.160 -11.593 1.00 0.00 C ATOM 584 CD GLU A 40 0.049 3.273 -12.848 1.00 0.00 C ATOM 585 OE1 GLU A 40 -1.023 3.911 -12.786 1.00 0.00 O ATOM 586 OE2 GLU A 40 0.461 2.724 -13.892 1.00 0.00 O ATOM 0 H GLU A 40 -1.858 2.646 -11.928 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.091 0.685 -11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.558 3.364 -10.034 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.812 2.356 -9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.280 4.144 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.754 2.522 -11.794 1.00 0.00 H new ATOM 593 N HIS A 41 -0.185 -0.269 -9.024 1.00 0.00 N ATOM 594 CA HIS A 41 -0.423 -1.043 -7.812 1.00 0.00 C ATOM 595 C HIS A 41 0.500 -0.589 -6.686 1.00 0.00 C ATOM 596 O HIS A 41 1.722 -0.705 -6.787 1.00 0.00 O ATOM 597 CB HIS A 41 -0.219 -2.534 -8.084 1.00 0.00 C ATOM 598 CG HIS A 41 -1.449 -3.225 -8.585 1.00 0.00 C ATOM 599 ND1 HIS A 41 -1.991 -4.335 -7.972 1.00 0.00 N ATOM 600 CD2 HIS A 41 -2.245 -2.958 -9.646 1.00 0.00 C ATOM 601 CE1 HIS A 41 -3.067 -4.721 -8.635 1.00 0.00 C ATOM 602 NE2 HIS A 41 -3.244 -3.902 -9.655 1.00 0.00 N ATOM 0 H HIS A 41 0.709 -0.458 -9.476 1.00 0.00 H new ATOM 0 HA HIS A 41 -1.455 -0.876 -7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.580 -2.655 -8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.113 -3.020 -7.167 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -1.619 -4.788 -7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.119 -2.153 -10.354 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.695 -5.563 -8.385 1.00 0.00 H new ATOM 611 N ILE A 42 -0.091 -0.070 -5.615 1.00 0.00 N ATOM 612 CA ILE A 42 0.679 0.401 -4.470 1.00 0.00 C ATOM 613 C ILE A 42 0.546 -0.553 -3.288 1.00 0.00 C ATOM 614 O ILE A 42 -0.559 -0.816 -2.812 1.00 0.00 O ATOM 615 CB ILE A 42 0.234 1.810 -4.034 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.076 2.719 -5.253 1.00 0.00 C ATOM 617 CG2 ILE A 42 1.234 2.399 -3.050 1.00 0.00 C ATOM 618 CD1 ILE A 42 -0.930 3.830 -5.052 1.00 0.00 C ATOM 0 H ILE A 42 -1.101 0.035 -5.516 1.00 0.00 H new ATOM 0 HA ILE A 42 1.722 0.440 -4.785 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.733 1.733 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.044 3.156 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.227 2.116 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.907 3.395 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.299 1.759 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.214 2.466 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.990 4.435 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.908 3.400 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.618 4.457 -4.217 1.00 0.00 H new ATOM 630 N CYS A 43 1.677 -1.064 -2.817 1.00 0.00 N ATOM 631 CA CYS A 43 1.687 -1.987 -1.688 1.00 0.00 C ATOM 632 C CYS A 43 1.550 -1.235 -0.368 1.00 0.00 C ATOM 633 O CYS A 43 2.335 -0.333 -0.071 1.00 0.00 O ATOM 634 CB CYS A 43 2.976 -2.811 -1.687 1.00 0.00 C ATOM 635 SG CYS A 43 2.800 -4.458 -0.962 1.00 0.00 S ATOM 0 H CYS A 43 2.599 -0.855 -3.199 1.00 0.00 H new ATOM 0 HA CYS A 43 0.835 -2.658 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.330 -2.913 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.743 -2.265 -1.138 1.00 0.00 H new ATOM 0 HG CYS A 43 3.942 -5.077 -1.009 1.00 0.00 H new ATOM 641 N LEU A 44 0.548 -1.609 0.419 1.00 0.00 N ATOM 642 CA LEU A 44 0.306 -0.968 1.707 1.00 0.00 C ATOM 643 C LEU A 44 1.283 -1.479 2.760 1.00 0.00 C ATOM 644 O LEU A 44 1.220 -2.638 3.171 1.00 0.00 O ATOM 645 CB LEU A 44 -1.132 -1.222 2.163 1.00 0.00 C ATOM 646 CG LEU A 44 -2.231 -0.783 1.195 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.590 -1.271 1.673 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.230 0.731 1.039 1.00 0.00 C ATOM 0 H LEU A 44 -0.110 -2.353 0.188 1.00 0.00 H new ATOM 0 HA LEU A 44 0.458 0.105 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.248 -2.289 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.286 -0.710 3.113 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.030 -1.229 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.360 -0.949 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.586 -2.359 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.800 -0.855 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.018 1.026 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.406 1.197 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.265 1.056 0.650 1.00 0.00 H new ATOM 660 N ILE A 45 2.185 -0.605 3.196 1.00 0.00 N ATOM 661 CA ILE A 45 3.174 -0.966 4.204 1.00 0.00 C ATOM 662 C ILE A 45 2.584 -0.880 5.609 1.00 0.00 C ATOM 663 O ILE A 45 2.338 -1.899 6.253 1.00 0.00 O ATOM 664 CB ILE A 45 4.416 -0.059 4.125 1.00 0.00 C ATOM 665 CG1 ILE A 45 5.085 -0.195 2.756 1.00 0.00 C ATOM 666 CG2 ILE A 45 5.396 -0.406 5.237 1.00 0.00 C ATOM 667 CD1 ILE A 45 5.970 0.980 2.398 1.00 0.00 C ATOM 0 H ILE A 45 2.251 0.358 2.867 1.00 0.00 H new ATOM 0 HA ILE A 45 3.472 -1.994 3.999 1.00 0.00 H new ATOM 0 HB ILE A 45 4.102 0.977 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.682 -1.107 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.314 -0.305 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.269 0.243 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.914 -0.265 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.708 -1.445 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.412 0.817 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.374 1.892 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.762 1.078 3.140 1.00 0.00 H new ATOM 679 N ARG A 46 2.357 0.344 6.074 1.00 0.00 N ATOM 680 CA ARG A 46 1.795 0.564 7.401 1.00 0.00 C ATOM 681 C ARG A 46 0.784 1.707 7.381 1.00 0.00 C ATOM 682 O ARG A 46 1.155 2.876 7.273 1.00 0.00 O ATOM 683 CB ARG A 46 2.908 0.870 8.405 1.00 0.00 C ATOM 684 CG ARG A 46 3.836 -0.306 8.664 1.00 0.00 C ATOM 685 CD ARG A 46 3.166 -1.365 9.523 1.00 0.00 C ATOM 686 NE ARG A 46 2.684 -0.820 10.790 1.00 0.00 N ATOM 687 CZ ARG A 46 3.478 -0.538 11.817 1.00 0.00 C ATOM 688 NH1 ARG A 46 4.784 -0.748 11.727 1.00 0.00 N ATOM 689 NH2 ARG A 46 2.966 -0.044 12.936 1.00 0.00 N ATOM 0 H ARG A 46 2.553 1.198 5.552 1.00 0.00 H new ATOM 0 HA ARG A 46 1.281 -0.347 7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.496 1.711 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.459 1.182 9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.141 -0.746 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.742 0.046 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.331 -1.801 8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.872 -2.171 9.721 1.00 0.00 H new ATOM 0 HE ARG A 46 1.684 -0.647 10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.182 -1.127 10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.391 -0.530 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.962 0.120 13.009 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.576 0.172 13.724 1.00 0.00 H new ATOM 703 N LYS A 47 -0.494 1.361 7.484 1.00 0.00 N ATOM 704 CA LYS A 47 -1.560 2.358 7.479 1.00 0.00 C ATOM 705 C LYS A 47 -1.200 3.544 8.367 1.00 0.00 C ATOM 706 O LYS A 47 -1.031 3.398 9.577 1.00 0.00 O ATOM 707 CB LYS A 47 -2.873 1.732 7.953 1.00 0.00 C ATOM 708 CG LYS A 47 -4.107 2.493 7.502 1.00 0.00 C ATOM 709 CD LYS A 47 -5.320 1.582 7.408 1.00 0.00 C ATOM 710 CE LYS A 47 -6.059 1.499 8.734 1.00 0.00 C ATOM 711 NZ LYS A 47 -7.494 1.146 8.549 1.00 0.00 N ATOM 0 H LYS A 47 -0.818 0.398 7.572 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.683 2.717 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.932 0.708 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.868 1.678 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.312 3.303 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.919 2.951 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.995 1.952 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.004 0.584 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.581 0.754 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.984 2.455 9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.962 1.099 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.957 1.870 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.566 0.222 8.078 1.00 0.00 H new ATOM 725 N VAL A 48 -1.084 4.720 7.758 1.00 0.00 N ATOM 726 CA VAL A 48 -0.748 5.932 8.493 1.00 0.00 C ATOM 727 C VAL A 48 -1.954 6.466 9.257 1.00 0.00 C ATOM 728 O VAL A 48 -1.811 7.074 10.316 1.00 0.00 O ATOM 729 CB VAL A 48 -0.224 7.033 7.551 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.322 7.496 6.607 1.00 0.00 C ATOM 731 CG2 VAL A 48 0.330 8.201 8.354 1.00 0.00 C ATOM 0 H VAL A 48 -1.218 4.858 6.756 1.00 0.00 H new ATOM 0 HA VAL A 48 0.037 5.664 9.200 1.00 0.00 H new ATOM 0 HB VAL A 48 0.586 6.618 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.933 8.274 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.666 6.653 6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.156 7.894 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.696 8.970 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.458 8.617 8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.150 7.854 8.983 1.00 0.00 H new ATOM 741 N ASN A 49 -3.143 6.232 8.711 1.00 0.00 N ATOM 742 CA ASN A 49 -4.377 6.689 9.342 1.00 0.00 C ATOM 743 C ASN A 49 -5.584 5.944 8.778 1.00 0.00 C ATOM 744 O ASN A 49 -5.481 5.252 7.766 1.00 0.00 O ATOM 745 CB ASN A 49 -4.552 8.194 9.136 1.00 0.00 C ATOM 746 CG ASN A 49 -3.899 9.008 10.236 1.00 0.00 C ATOM 747 OD1 ASN A 49 -3.988 8.663 11.415 1.00 0.00 O ATOM 748 ND2 ASN A 49 -3.238 10.096 9.855 1.00 0.00 N ATOM 0 H ASN A 49 -3.279 5.729 7.834 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.309 6.480 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.124 8.478 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.615 8.431 9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.778 10.683 10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.190 10.344 8.867 1.00 0.00 H new ATOM 755 N GLU A 50 -6.725 6.092 9.443 1.00 0.00 N ATOM 756 CA GLU A 50 -7.952 5.432 9.008 1.00 0.00 C ATOM 757 C GLU A 50 -8.454 6.027 7.695 1.00 0.00 C ATOM 758 O GLU A 50 -9.394 5.516 7.090 1.00 0.00 O ATOM 759 CB GLU A 50 -9.033 5.558 10.084 1.00 0.00 C ATOM 760 CG GLU A 50 -9.368 6.995 10.446 1.00 0.00 C ATOM 761 CD GLU A 50 -10.328 7.093 11.615 1.00 0.00 C ATOM 762 OE1 GLU A 50 -9.883 6.900 12.766 1.00 0.00 O ATOM 763 OE2 GLU A 50 -11.525 7.363 11.380 1.00 0.00 O ATOM 0 H GLU A 50 -6.826 6.661 10.283 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.730 4.377 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.938 5.059 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.703 5.034 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.449 7.528 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.805 7.492 9.580 1.00 0.00 H new ATOM 770 N ASN A 51 -7.818 7.112 7.263 1.00 0.00 N ATOM 771 CA ASN A 51 -8.201 7.778 6.023 1.00 0.00 C ATOM 772 C ASN A 51 -7.044 7.781 5.029 1.00 0.00 C ATOM 773 O ASN A 51 -7.252 7.700 3.818 1.00 0.00 O ATOM 774 CB ASN A 51 -8.648 9.213 6.308 1.00 0.00 C ATOM 775 CG ASN A 51 -9.678 9.288 7.418 1.00 0.00 C ATOM 776 OD1 ASN A 51 -10.873 9.111 7.184 1.00 0.00 O ATOM 777 ND2 ASN A 51 -9.217 9.554 8.635 1.00 0.00 N ATOM 0 H ASN A 51 -7.036 7.548 7.753 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.032 7.227 5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.780 9.814 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.065 9.648 5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.863 9.619 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.217 9.694 8.782 1.00 0.00 H new ATOM 784 N TRP A 52 -5.826 7.876 5.548 1.00 0.00 N ATOM 785 CA TRP A 52 -4.635 7.890 4.706 1.00 0.00 C ATOM 786 C TRP A 52 -3.898 6.558 4.784 1.00 0.00 C ATOM 787 O TRP A 52 -4.080 5.791 5.730 1.00 0.00 O ATOM 788 CB TRP A 52 -3.702 9.028 5.125 1.00 0.00 C ATOM 789 CG TRP A 52 -4.205 10.383 4.729 1.00 0.00 C ATOM 790 CD1 TRP A 52 -5.223 11.082 5.315 1.00 0.00 C ATOM 791 CD2 TRP A 52 -3.715 11.201 3.662 1.00 0.00 C ATOM 792 NE1 TRP A 52 -5.394 12.286 4.675 1.00 0.00 N ATOM 793 CE2 TRP A 52 -4.481 12.384 3.658 1.00 0.00 C ATOM 794 CE3 TRP A 52 -2.702 11.052 2.711 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -4.266 13.407 2.739 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -2.491 12.069 1.798 1.00 0.00 C ATOM 797 CH2 TRP A 52 -3.268 13.234 1.818 1.00 0.00 C ATOM 0 H TRP A 52 -5.636 7.945 6.548 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.951 8.050 3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.568 8.999 6.206 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.721 8.867 4.678 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.807 10.739 6.156 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.088 12.993 4.918 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.095 10.159 2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.865 14.305 2.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.713 11.963 1.056 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.076 14.011 1.093 1.00 0.00 H new ATOM 808 N TYR A 53 -3.065 6.287 3.785 1.00 0.00 N ATOM 809 CA TYR A 53 -2.302 5.046 3.739 1.00 0.00 C ATOM 810 C TYR A 53 -0.835 5.319 3.420 1.00 0.00 C ATOM 811 O TYR A 53 -0.459 6.445 3.096 1.00 0.00 O ATOM 812 CB TYR A 53 -2.894 4.096 2.697 1.00 0.00 C ATOM 813 CG TYR A 53 -4.146 3.388 3.165 1.00 0.00 C ATOM 814 CD1 TYR A 53 -4.071 2.307 4.035 1.00 0.00 C ATOM 815 CD2 TYR A 53 -5.401 3.800 2.738 1.00 0.00 C ATOM 816 CE1 TYR A 53 -5.211 1.656 4.465 1.00 0.00 C ATOM 817 CE2 TYR A 53 -6.547 3.155 3.164 1.00 0.00 C ATOM 818 CZ TYR A 53 -6.447 2.084 4.027 1.00 0.00 C ATOM 819 OH TYR A 53 -7.586 1.440 4.453 1.00 0.00 O ATOM 0 H TYR A 53 -2.901 6.911 2.995 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.360 4.578 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.122 4.659 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.144 3.352 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.105 1.970 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.483 4.638 2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.135 0.817 5.140 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.516 3.488 2.823 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.372 1.867 4.053 1.00 0.00 H new ATOM 829 N GLU A 54 -0.013 4.279 3.512 1.00 0.00 N ATOM 830 CA GLU A 54 1.413 4.407 3.232 1.00 0.00 C ATOM 831 C GLU A 54 1.915 3.221 2.413 1.00 0.00 C ATOM 832 O GLU A 54 1.877 2.078 2.868 1.00 0.00 O ATOM 833 CB GLU A 54 2.204 4.510 4.538 1.00 0.00 C ATOM 834 CG GLU A 54 3.699 4.688 4.332 1.00 0.00 C ATOM 835 CD GLU A 54 4.476 4.653 5.633 1.00 0.00 C ATOM 836 OE1 GLU A 54 3.967 5.183 6.644 1.00 0.00 O ATOM 837 OE2 GLU A 54 5.594 4.097 5.642 1.00 0.00 O ATOM 0 H GLU A 54 -0.309 3.340 3.778 1.00 0.00 H new ATOM 0 HA GLU A 54 1.563 5.317 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.823 5.350 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.032 3.611 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.067 3.902 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.882 5.638 3.829 1.00 0.00 H new ATOM 844 N GLY A 55 2.385 3.502 1.202 1.00 0.00 N ATOM 845 CA GLY A 55 2.886 2.450 0.337 1.00 0.00 C ATOM 846 C GLY A 55 4.136 2.864 -0.414 1.00 0.00 C ATOM 847 O GLY A 55 4.886 3.727 0.043 1.00 0.00 O ATOM 0 H GLY A 55 2.428 4.440 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.101 1.564 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.112 2.172 -0.378 1.00 0.00 H new ATOM 851 N ARG A 56 4.362 2.246 -1.569 1.00 0.00 N ATOM 852 CA ARG A 56 5.531 2.553 -2.384 1.00 0.00 C ATOM 853 C ARG A 56 5.271 2.226 -3.852 1.00 0.00 C ATOM 854 O ARG A 56 4.364 1.459 -4.176 1.00 0.00 O ATOM 855 CB ARG A 56 6.747 1.773 -1.883 1.00 0.00 C ATOM 856 CG ARG A 56 6.690 0.287 -2.200 1.00 0.00 C ATOM 857 CD ARG A 56 8.083 -0.300 -2.375 1.00 0.00 C ATOM 858 NE ARG A 56 8.850 0.406 -3.397 1.00 0.00 N ATOM 859 CZ ARG A 56 10.042 0.007 -3.826 1.00 0.00 C ATOM 860 NH1 ARG A 56 10.600 -1.086 -3.324 1.00 0.00 N ATOM 861 NH2 ARG A 56 10.678 0.703 -4.760 1.00 0.00 N ATOM 0 H ARG A 56 3.751 1.530 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 56 5.733 3.621 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.648 2.196 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.832 1.903 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.171 -0.238 -1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.111 0.130 -3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.617 -0.255 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.001 -1.353 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 56 8.449 1.251 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.114 -1.623 -2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.516 -1.390 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.251 1.544 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.593 0.397 -5.090 1.00 0.00 H new ATOM 875 N ILE A 57 6.072 2.814 -4.734 1.00 0.00 N ATOM 876 CA ILE A 57 5.929 2.584 -6.166 1.00 0.00 C ATOM 877 C ILE A 57 7.039 1.678 -6.692 1.00 0.00 C ATOM 878 O ILE A 57 8.050 2.153 -7.210 1.00 0.00 O ATOM 879 CB ILE A 57 5.947 3.908 -6.954 1.00 0.00 C ATOM 880 CG1 ILE A 57 4.920 4.884 -6.375 1.00 0.00 C ATOM 881 CG2 ILE A 57 5.670 3.651 -8.427 1.00 0.00 C ATOM 882 CD1 ILE A 57 3.493 4.395 -6.485 1.00 0.00 C ATOM 0 H ILE A 57 6.826 3.453 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 57 4.965 2.096 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 57 6.937 4.355 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.154 5.065 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.009 5.840 -6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.686 4.596 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.435 2.987 -8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.691 3.186 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.820 5.137 -6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.241 4.241 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.388 3.454 -5.945 1.00 0.00 H new ATOM 894 N THR A 58 6.841 0.371 -6.556 1.00 0.00 N ATOM 895 CA THR A 58 7.825 -0.602 -7.016 1.00 0.00 C ATOM 896 C THR A 58 8.400 -0.203 -8.370 1.00 0.00 C ATOM 897 O THR A 58 7.667 -0.059 -9.348 1.00 0.00 O ATOM 898 CB THR A 58 7.212 -2.011 -7.126 1.00 0.00 C ATOM 899 OG1 THR A 58 8.149 -2.907 -7.734 1.00 0.00 O ATOM 900 CG2 THR A 58 5.928 -1.981 -7.942 1.00 0.00 C ATOM 0 H THR A 58 6.009 -0.039 -6.131 1.00 0.00 H new ATOM 0 HA THR A 58 8.624 -0.619 -6.275 1.00 0.00 H new ATOM 0 HB THR A 58 6.976 -2.360 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.752 -3.801 -7.799 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.514 -2.987 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.206 -1.321 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.143 -1.613 -8.945 1.00 0.00 H new ATOM 908 N GLY A 59 9.716 -0.028 -8.421 1.00 0.00 N ATOM 909 CA GLY A 59 10.367 0.353 -9.661 1.00 0.00 C ATOM 910 C GLY A 59 11.046 1.705 -9.570 1.00 0.00 C ATOM 911 O GLY A 59 12.168 1.879 -10.043 1.00 0.00 O ATOM 0 H GLY A 59 10.344 -0.143 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.105 -0.403 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.629 0.374 -10.463 1.00 0.00 H new ATOM 915 N THR A 60 10.361 2.668 -8.960 1.00 0.00 N ATOM 916 CA THR A 60 10.903 4.012 -8.810 1.00 0.00 C ATOM 917 C THR A 60 11.300 4.288 -7.364 1.00 0.00 C ATOM 918 O THR A 60 10.907 3.561 -6.453 1.00 0.00 O ATOM 919 CB THR A 60 9.889 5.080 -9.264 1.00 0.00 C ATOM 920 OG1 THR A 60 8.693 4.983 -8.484 1.00 0.00 O ATOM 921 CG2 THR A 60 9.555 4.916 -10.739 1.00 0.00 C ATOM 0 H THR A 60 9.430 2.541 -8.562 1.00 0.00 H new ATOM 0 HA THR A 60 11.788 4.068 -9.444 1.00 0.00 H new ATOM 0 HB THR A 60 10.338 6.062 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.055 5.666 -8.778 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.838 5.681 -11.037 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.464 5.021 -11.332 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.124 3.929 -10.907 1.00 0.00 H new ATOM 929 N GLY A 61 12.083 5.343 -7.160 1.00 0.00 N ATOM 930 CA GLY A 61 12.520 5.695 -5.822 1.00 0.00 C ATOM 931 C GLY A 61 11.545 6.619 -5.118 1.00 0.00 C ATOM 932 O GLY A 61 11.954 7.538 -4.410 1.00 0.00 O ATOM 0 H GLY A 61 12.422 5.960 -7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.645 4.786 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.497 6.176 -5.877 1.00 0.00 H new ATOM 936 N ARG A 62 10.254 6.375 -5.316 1.00 0.00 N ATOM 937 CA ARG A 62 9.219 7.194 -4.697 1.00 0.00 C ATOM 938 C ARG A 62 8.482 6.411 -3.614 1.00 0.00 C ATOM 939 O ARG A 62 8.185 5.229 -3.783 1.00 0.00 O ATOM 940 CB ARG A 62 8.226 7.683 -5.753 1.00 0.00 C ATOM 941 CG ARG A 62 8.890 8.306 -6.970 1.00 0.00 C ATOM 942 CD ARG A 62 7.863 8.736 -8.006 1.00 0.00 C ATOM 943 NE ARG A 62 7.359 10.082 -7.751 1.00 0.00 N ATOM 944 CZ ARG A 62 8.091 11.180 -7.896 1.00 0.00 C ATOM 945 NH1 ARG A 62 9.353 11.093 -8.293 1.00 0.00 N ATOM 946 NH2 ARG A 62 7.562 12.372 -7.645 1.00 0.00 N ATOM 0 H ARG A 62 9.900 5.617 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 62 9.701 8.056 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.609 6.844 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.557 8.415 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.481 9.169 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.580 7.590 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.312 8.699 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.031 8.031 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 62 6.392 10.185 -7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.764 10.180 -8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.912 11.939 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.591 12.445 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.126 13.214 -7.757 1.00 0.00 H new ATOM 960 N GLN A 63 8.190 7.079 -2.503 1.00 0.00 N ATOM 961 CA GLN A 63 7.488 6.446 -1.393 1.00 0.00 C ATOM 962 C GLN A 63 6.860 7.491 -0.478 1.00 0.00 C ATOM 963 O GLN A 63 7.457 8.532 -0.206 1.00 0.00 O ATOM 964 CB GLN A 63 8.448 5.562 -0.594 1.00 0.00 C ATOM 965 CG GLN A 63 7.895 5.126 0.754 1.00 0.00 C ATOM 966 CD GLN A 63 8.865 4.259 1.530 1.00 0.00 C ATOM 967 OE1 GLN A 63 10.034 4.132 1.162 1.00 0.00 O ATOM 968 NE2 GLN A 63 8.386 3.656 2.612 1.00 0.00 N ATOM 0 H GLN A 63 8.429 8.058 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 63 6.692 5.827 -1.806 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.688 4.676 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.381 6.103 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.650 6.009 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.966 4.577 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.411 3.789 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.993 3.060 3.175 1.00 0.00 H new ATOM 977 N GLY A 64 5.649 7.207 -0.006 1.00 0.00 N ATOM 978 CA GLY A 64 4.960 8.133 0.874 1.00 0.00 C ATOM 979 C GLY A 64 3.537 7.703 1.167 1.00 0.00 C ATOM 980 O GLY A 64 3.223 6.512 1.142 1.00 0.00 O ATOM 0 H GLY A 64 5.134 6.353 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.511 8.218 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.951 9.123 0.419 1.00 0.00 H new ATOM 984 N ILE A 65 2.673 8.673 1.447 1.00 0.00 N ATOM 985 CA ILE A 65 1.275 8.388 1.748 1.00 0.00 C ATOM 986 C ILE A 65 0.353 8.984 0.690 1.00 0.00 C ATOM 987 O ILE A 65 0.795 9.728 -0.186 1.00 0.00 O ATOM 988 CB ILE A 65 0.873 8.934 3.130 1.00 0.00 C ATOM 989 CG1 ILE A 65 1.126 10.441 3.200 1.00 0.00 C ATOM 990 CG2 ILE A 65 1.640 8.212 4.228 1.00 0.00 C ATOM 991 CD1 ILE A 65 0.193 11.168 4.143 1.00 0.00 C ATOM 0 H ILE A 65 2.916 9.663 1.472 1.00 0.00 H new ATOM 0 HA ILE A 65 1.168 7.303 1.751 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.192 8.756 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.155 10.614 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.023 10.865 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.345 8.609 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.415 7.146 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.710 8.363 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.431 12.232 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.837 11.026 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.313 10.771 5.151 1.00 0.00 H new ATOM 1003 N PHE A 66 -0.931 8.654 0.778 1.00 0.00 N ATOM 1004 CA PHE A 66 -1.918 9.158 -0.171 1.00 0.00 C ATOM 1005 C PHE A 66 -3.335 8.925 0.344 1.00 0.00 C ATOM 1006 O PHE A 66 -3.590 8.037 1.158 1.00 0.00 O ATOM 1007 CB PHE A 66 -1.739 8.483 -1.532 1.00 0.00 C ATOM 1008 CG PHE A 66 -1.562 6.994 -1.443 1.00 0.00 C ATOM 1009 CD1 PHE A 66 -0.325 6.447 -1.142 1.00 0.00 C ATOM 1010 CD2 PHE A 66 -2.633 6.141 -1.659 1.00 0.00 C ATOM 1011 CE1 PHE A 66 -0.159 5.077 -1.061 1.00 0.00 C ATOM 1012 CE2 PHE A 66 -2.473 4.771 -1.579 1.00 0.00 C ATOM 1013 CZ PHE A 66 -1.235 4.238 -1.279 1.00 0.00 C ATOM 0 H PHE A 66 -1.313 8.040 1.497 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.763 10.231 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.607 8.701 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.872 8.915 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.519 7.098 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.604 6.552 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.811 4.663 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.315 4.118 -1.751 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.108 3.167 -1.215 1.00 0.00 H new ATOM 1023 N PRO A 67 -4.282 9.743 -0.142 1.00 0.00 N ATOM 1024 CA PRO A 67 -5.690 9.645 0.253 1.00 0.00 C ATOM 1025 C PRO A 67 -6.359 8.387 -0.289 1.00 0.00 C ATOM 1026 O PRO A 67 -6.175 8.027 -1.451 1.00 0.00 O ATOM 1027 CB PRO A 67 -6.319 10.896 -0.367 1.00 0.00 C ATOM 1028 CG PRO A 67 -5.440 11.230 -1.522 1.00 0.00 C ATOM 1029 CD PRO A 67 -4.051 10.823 -1.115 1.00 0.00 C ATOM 0 HA PRO A 67 -5.807 9.583 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.342 10.706 -0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.359 11.716 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.756 10.698 -2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.484 12.295 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.468 10.477 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.503 11.654 -0.670 1.00 0.00 H new ATOM 1037 N ALA A 68 -7.137 7.724 0.560 1.00 0.00 N ATOM 1038 CA ALA A 68 -7.836 6.507 0.166 1.00 0.00 C ATOM 1039 C ALA A 68 -8.891 6.800 -0.897 1.00 0.00 C ATOM 1040 O ALA A 68 -8.966 6.115 -1.916 1.00 0.00 O ATOM 1041 CB ALA A 68 -8.475 5.847 1.379 1.00 0.00 C ATOM 0 H ALA A 68 -7.299 8.009 1.526 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.105 5.821 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.993 4.940 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.702 5.593 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.188 6.535 1.834 1.00 0.00 H new ATOM 1047 N SER A 69 -9.704 7.822 -0.650 1.00 0.00 N ATOM 1048 CA SER A 69 -10.758 8.203 -1.582 1.00 0.00 C ATOM 1049 C SER A 69 -10.233 8.229 -3.015 1.00 0.00 C ATOM 1050 O SER A 69 -11.002 8.133 -3.972 1.00 0.00 O ATOM 1051 CB SER A 69 -11.327 9.574 -1.211 1.00 0.00 C ATOM 1052 OG SER A 69 -12.372 9.948 -2.091 1.00 0.00 O ATOM 0 H SER A 69 -9.653 8.401 0.188 1.00 0.00 H new ATOM 0 HA SER A 69 -11.552 7.459 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.700 9.551 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.534 10.321 -1.245 1.00 0.00 H new ATOM 0 HG SER A 69 -12.719 10.827 -1.831 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.918 8.358 -3.153 1.00 0.00 N ATOM 1059 CA TYR A 70 -8.288 8.399 -4.467 1.00 0.00 C ATOM 1060 C TYR A 70 -7.964 6.993 -4.961 1.00 0.00 C ATOM 1061 O TYR A 70 -8.121 6.686 -6.143 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.012 9.241 -4.419 1.00 0.00 C ATOM 1063 CG TYR A 70 -7.269 10.724 -4.281 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -7.978 11.229 -3.198 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -6.803 11.622 -5.234 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -8.216 12.584 -3.069 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -7.035 12.977 -5.113 1.00 0.00 C ATOM 1068 CZ TYR A 70 -7.743 13.454 -4.029 1.00 0.00 C ATOM 1069 OH TYR A 70 -7.976 14.804 -3.904 1.00 0.00 O ATOM 0 H TYR A 70 -8.268 8.436 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.991 8.856 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.398 8.908 -3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.436 9.064 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.349 10.551 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.249 11.253 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.769 12.960 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.664 13.660 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.575 15.277 -4.663 1.00 0.00 H new ATOM 1079 N VAL A 71 -7.512 6.141 -4.047 1.00 0.00 N ATOM 1080 CA VAL A 71 -7.168 4.765 -4.386 1.00 0.00 C ATOM 1081 C VAL A 71 -8.286 3.806 -3.993 1.00 0.00 C ATOM 1082 O VAL A 71 -9.246 4.196 -3.329 1.00 0.00 O ATOM 1083 CB VAL A 71 -5.863 4.327 -3.695 1.00 0.00 C ATOM 1084 CG1 VAL A 71 -4.728 5.279 -4.043 1.00 0.00 C ATOM 1085 CG2 VAL A 71 -6.060 4.246 -2.189 1.00 0.00 C ATOM 0 H VAL A 71 -7.375 6.380 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.028 4.730 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.595 3.334 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.814 4.953 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.573 5.281 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.983 6.286 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.128 3.935 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.352 5.224 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.841 3.520 -1.963 1.00 0.00 H new ATOM 1095 N GLN A 72 -8.153 2.550 -4.407 1.00 0.00 N ATOM 1096 CA GLN A 72 -9.153 1.534 -4.098 1.00 0.00 C ATOM 1097 C GLN A 72 -8.570 0.454 -3.195 1.00 0.00 C ATOM 1098 O GLN A 72 -7.574 -0.186 -3.536 1.00 0.00 O ATOM 1099 CB GLN A 72 -9.686 0.906 -5.387 1.00 0.00 C ATOM 1100 CG GLN A 72 -10.523 -0.342 -5.153 1.00 0.00 C ATOM 1101 CD GLN A 72 -10.697 -1.171 -6.410 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -10.381 -0.724 -7.513 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -11.201 -2.390 -6.250 1.00 0.00 N ATOM 0 H GLN A 72 -7.363 2.212 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.975 2.017 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.288 1.643 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.845 0.654 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.052 -0.952 -4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.503 -0.052 -4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.449 -2.721 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.339 -2.995 -7.060 1.00 0.00 H new ATOM 1112 N VAL A 73 -9.195 0.254 -2.039 1.00 0.00 N ATOM 1113 CA VAL A 73 -8.738 -0.751 -1.086 1.00 0.00 C ATOM 1114 C VAL A 73 -9.393 -2.101 -1.355 1.00 0.00 C ATOM 1115 O VAL A 73 -10.617 -2.222 -1.344 1.00 0.00 O ATOM 1116 CB VAL A 73 -9.039 -0.326 0.364 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -8.542 -1.379 1.342 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -8.415 1.029 0.663 1.00 0.00 C ATOM 0 H VAL A 73 -10.019 0.775 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.659 -0.842 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.119 -0.236 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.763 -1.062 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.041 -2.327 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.465 -1.504 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.638 1.313 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.335 0.970 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.825 1.776 -0.017 1.00 0.00 H new ATOM 1128 N SER A 74 -8.567 -3.115 -1.596 1.00 0.00 N ATOM 1129 CA SER A 74 -9.065 -4.457 -1.871 1.00 0.00 C ATOM 1130 C SER A 74 -8.708 -5.412 -0.738 1.00 0.00 C ATOM 1131 O SER A 74 -9.530 -6.223 -0.312 1.00 0.00 O ATOM 1132 CB SER A 74 -8.491 -4.976 -3.192 1.00 0.00 C ATOM 1133 OG SER A 74 -9.229 -4.485 -4.297 1.00 0.00 O ATOM 0 H SER A 74 -7.550 -3.032 -1.606 1.00 0.00 H new ATOM 0 HA SER A 74 -10.151 -4.406 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.448 -4.672 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.507 -6.066 -3.196 1.00 0.00 H new ATOM 0 HG SER A 74 -8.841 -4.830 -5.128 1.00 0.00 H new ATOM 1139 N ARG A 75 -7.474 -5.310 -0.254 1.00 0.00 N ATOM 1140 CA ARG A 75 -7.004 -6.166 0.830 1.00 0.00 C ATOM 1141 C ARG A 75 -6.266 -5.349 1.886 1.00 0.00 C ATOM 1142 O ARG A 75 -5.083 -5.044 1.733 1.00 0.00 O ATOM 1143 CB ARG A 75 -6.088 -7.261 0.284 1.00 0.00 C ATOM 1144 CG ARG A 75 -5.340 -8.024 1.364 1.00 0.00 C ATOM 1145 CD ARG A 75 -6.271 -8.937 2.148 1.00 0.00 C ATOM 1146 NE ARG A 75 -5.544 -10.006 2.828 1.00 0.00 N ATOM 1147 CZ ARG A 75 -5.212 -11.154 2.246 1.00 0.00 C ATOM 1148 NH1 ARG A 75 -5.537 -11.378 0.981 1.00 0.00 N ATOM 1149 NH2 ARG A 75 -4.550 -12.078 2.931 1.00 0.00 N ATOM 0 H ARG A 75 -6.782 -4.643 -0.595 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.873 -6.630 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.683 -7.964 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.366 -6.812 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.546 -8.616 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.862 -7.319 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.822 -8.349 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.007 -9.372 1.471 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.277 -9.864 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.043 -10.668 0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.281 -12.260 0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.296 -11.907 3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.295 -12.959 2.484 1.00 0.00 H new ATOM 1163 N GLU A 76 -6.972 -4.998 2.957 1.00 0.00 N ATOM 1164 CA GLU A 76 -6.382 -4.216 4.038 1.00 0.00 C ATOM 1165 C GLU A 76 -5.166 -4.927 4.623 1.00 0.00 C ATOM 1166 O GLU A 76 -5.026 -6.148 4.535 1.00 0.00 O ATOM 1167 CB GLU A 76 -7.417 -3.963 5.137 1.00 0.00 C ATOM 1168 CG GLU A 76 -8.371 -2.822 4.823 1.00 0.00 C ATOM 1169 CD GLU A 76 -9.325 -2.529 5.964 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -8.847 -2.149 7.054 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -10.548 -2.677 5.766 1.00 0.00 O ATOM 0 H GLU A 76 -7.952 -5.242 3.099 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.058 -3.260 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.994 -4.874 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.898 -3.745 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.796 -1.924 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.944 -3.068 3.929 1.00 0.00 H new ATOM 1178 N PRO A 77 -4.263 -4.148 5.236 1.00 0.00 N ATOM 1179 CA PRO A 77 -3.043 -4.681 5.849 1.00 0.00 C ATOM 1180 C PRO A 77 -3.333 -5.498 7.103 1.00 0.00 C ATOM 1181 O PRO A 77 -4.490 -5.762 7.429 1.00 0.00 O ATOM 1182 CB PRO A 77 -2.246 -3.422 6.203 1.00 0.00 C ATOM 1183 CG PRO A 77 -3.273 -2.354 6.358 1.00 0.00 C ATOM 1184 CD PRO A 77 -4.365 -2.685 5.380 1.00 0.00 C ATOM 0 HA PRO A 77 -2.516 -5.363 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.676 -3.560 7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.531 -3.173 5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.657 -2.327 7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.849 -1.372 6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.344 -2.385 5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.219 -2.176 4.427 1.00 0.00 H new ATOM 1192 N ARG A 78 -2.275 -5.897 7.801 1.00 0.00 N ATOM 1193 CA ARG A 78 -2.416 -6.686 9.019 1.00 0.00 C ATOM 1194 C ARG A 78 -2.825 -5.802 10.194 1.00 0.00 C ATOM 1195 O ARG A 78 -3.952 -5.885 10.684 1.00 0.00 O ATOM 1196 CB ARG A 78 -1.106 -7.406 9.341 1.00 0.00 C ATOM 1197 CG ARG A 78 -1.290 -8.657 10.185 1.00 0.00 C ATOM 1198 CD ARG A 78 -1.294 -8.330 11.670 1.00 0.00 C ATOM 1199 NE ARG A 78 -0.775 -9.433 12.475 1.00 0.00 N ATOM 1200 CZ ARG A 78 0.501 -9.802 12.480 1.00 0.00 C ATOM 1201 NH1 ARG A 78 1.383 -9.161 11.728 1.00 0.00 N ATOM 1202 NH2 ARG A 78 0.897 -10.817 13.239 1.00 0.00 N ATOM 0 H ARG A 78 -1.311 -5.687 7.544 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.198 -7.427 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.611 -7.677 8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.443 -6.718 9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.227 -9.144 9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.489 -9.364 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.693 -7.438 11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.310 -8.097 11.987 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.428 -9.948 13.065 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.083 -8.381 11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.362 -9.447 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.221 -11.314 13.819 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.877 -11.100 13.242 1.00 0.00 H new ATOM 1216 N LEU A 79 -1.903 -4.959 10.643 1.00 0.00 N ATOM 1217 CA LEU A 79 -2.166 -4.060 11.762 1.00 0.00 C ATOM 1218 C LEU A 79 -3.081 -4.721 12.787 1.00 0.00 C ATOM 1219 O LEU A 79 -4.044 -4.115 13.258 1.00 0.00 O ATOM 1220 CB LEU A 79 -2.799 -2.761 11.259 1.00 0.00 C ATOM 1221 CG LEU A 79 -1.829 -1.699 10.740 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -1.251 -0.895 11.894 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -0.718 -2.344 9.926 1.00 0.00 C ATOM 0 H LEU A 79 -0.965 -4.878 10.249 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.216 -3.831 12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.499 -3.007 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.382 -2.326 12.071 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.379 -1.018 10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.563 -0.144 11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.059 -0.402 12.435 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.716 -1.562 12.570 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.037 -1.573 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.170 -3.048 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.150 -2.874 9.077 1.00 0.00 H new ATOM 1235 N ARG A 80 -2.772 -5.967 13.131 1.00 0.00 N ATOM 1236 CA ARG A 80 -3.566 -6.710 14.102 1.00 0.00 C ATOM 1237 C ARG A 80 -5.044 -6.342 13.993 1.00 0.00 C ATOM 1238 O ARG A 80 -5.697 -6.051 14.995 1.00 0.00 O ATOM 1239 CB ARG A 80 -3.064 -6.435 15.521 1.00 0.00 C ATOM 1240 CG ARG A 80 -1.600 -6.788 15.728 1.00 0.00 C ATOM 1241 CD ARG A 80 -0.984 -5.969 16.851 1.00 0.00 C ATOM 1242 NE ARG A 80 0.399 -6.357 17.115 1.00 0.00 N ATOM 1243 CZ ARG A 80 0.742 -7.499 17.700 1.00 0.00 C ATOM 1244 NH1 ARG A 80 -0.191 -8.361 18.077 1.00 0.00 N ATOM 1245 NH2 ARG A 80 2.022 -7.781 17.907 1.00 0.00 N ATOM 0 H ARG A 80 -1.978 -6.483 12.752 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.457 -7.773 13.885 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.211 -5.380 15.751 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.669 -7.002 16.228 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.509 -7.850 15.958 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.048 -6.614 14.804 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.021 -4.911 16.591 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.575 -6.095 17.758 1.00 0.00 H new ATOM 0 HE ARG A 80 1.142 -5.716 16.835 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.176 -8.148 17.918 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.076 -9.237 18.526 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.743 -7.121 17.617 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.285 -8.658 18.356 1.00 0.00 H new ATOM 1259 N LEU A 81 -5.562 -6.357 12.770 1.00 0.00 N ATOM 1260 CA LEU A 81 -6.962 -6.024 12.530 1.00 0.00 C ATOM 1261 C LEU A 81 -7.717 -7.223 11.964 1.00 0.00 C ATOM 1262 O LEU A 81 -8.900 -7.414 12.248 1.00 0.00 O ATOM 1263 CB LEU A 81 -7.067 -4.840 11.567 1.00 0.00 C ATOM 1264 CG LEU A 81 -6.950 -5.173 10.078 1.00 0.00 C ATOM 1265 CD1 LEU A 81 -8.283 -5.668 9.537 1.00 0.00 C ATOM 1266 CD2 LEU A 81 -6.472 -3.958 9.296 1.00 0.00 C ATOM 0 H LEU A 81 -5.035 -6.596 11.930 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.414 -5.750 13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.024 -4.345 11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.288 -4.121 11.820 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.214 -5.968 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.182 -5.900 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.585 -6.565 10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.039 -4.894 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.395 -4.213 8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.183 -3.142 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.495 -3.648 9.667 1.00 0.00 H new ATOM 1278 N CYS A 82 -7.026 -8.028 11.165 1.00 0.00 N ATOM 1279 CA CYS A 82 -7.631 -9.209 10.561 1.00 0.00 C ATOM 1280 C CYS A 82 -7.450 -10.431 11.456 1.00 0.00 C ATOM 1281 O CYS A 82 -6.379 -10.642 12.027 1.00 0.00 O ATOM 1282 CB CYS A 82 -7.017 -9.476 9.185 1.00 0.00 C ATOM 1283 SG CYS A 82 -8.046 -10.494 8.103 1.00 0.00 S ATOM 0 H CYS A 82 -6.046 -7.884 10.920 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.698 -9.020 10.445 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.825 -8.522 8.694 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.053 -9.966 9.318 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.443 -10.662 6.963 1.00 0.00 H new ATOM 1289 N ASP A 83 -8.503 -11.231 11.576 1.00 0.00 N ATOM 1290 CA ASP A 83 -8.462 -12.432 12.402 1.00 0.00 C ATOM 1291 C ASP A 83 -8.046 -13.645 11.577 1.00 0.00 C ATOM 1292 O ASP A 83 -8.891 -14.378 11.061 1.00 0.00 O ATOM 1293 CB ASP A 83 -9.826 -12.681 13.046 1.00 0.00 C ATOM 1294 CG ASP A 83 -10.246 -11.552 13.967 1.00 0.00 C ATOM 1295 OD1 ASP A 83 -9.821 -11.556 15.143 1.00 0.00 O ATOM 1296 OD2 ASP A 83 -10.998 -10.665 13.514 1.00 0.00 O ATOM 0 H ASP A 83 -9.397 -11.070 11.111 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.721 -12.278 13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.576 -12.807 12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.794 -13.613 13.610 1.00 0.00 H new ATOM 1301 N ASP A 84 -6.739 -13.852 11.455 1.00 0.00 N ATOM 1302 CA ASP A 84 -6.211 -14.977 10.692 1.00 0.00 C ATOM 1303 C ASP A 84 -6.458 -16.294 11.422 1.00 0.00 C ATOM 1304 O ASP A 84 -6.122 -16.434 12.598 1.00 0.00 O ATOM 1305 CB ASP A 84 -4.714 -14.793 10.440 1.00 0.00 C ATOM 1306 CG ASP A 84 -4.090 -15.990 9.751 1.00 0.00 C ATOM 1307 OD1 ASP A 84 -3.633 -16.910 10.460 1.00 0.00 O ATOM 1308 OD2 ASP A 84 -4.058 -16.007 8.503 1.00 0.00 O ATOM 0 H ASP A 84 -6.026 -13.255 11.875 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.731 -15.010 9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.558 -13.904 9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.208 -14.620 11.390 1.00 0.00 H new ATOM 1313 N SER A 85 -7.049 -17.253 10.718 1.00 0.00 N ATOM 1314 CA SER A 85 -7.346 -18.556 11.302 1.00 0.00 C ATOM 1315 C SER A 85 -6.210 -19.540 11.040 1.00 0.00 C ATOM 1316 O SER A 85 -5.463 -19.400 10.073 1.00 0.00 O ATOM 1317 CB SER A 85 -8.654 -19.108 10.732 1.00 0.00 C ATOM 1318 OG SER A 85 -9.759 -18.312 11.128 1.00 0.00 O ATOM 0 H SER A 85 -7.332 -17.153 9.743 1.00 0.00 H new ATOM 0 HA SER A 85 -7.452 -18.428 12.379 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.596 -19.139 9.644 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.799 -20.133 11.073 1.00 0.00 H new ATOM 0 HG SER A 85 -10.583 -18.684 10.750 1.00 0.00 H new ATOM 1324 N GLY A 86 -6.086 -20.537 11.911 1.00 0.00 N ATOM 1325 CA GLY A 86 -5.039 -21.530 11.758 1.00 0.00 C ATOM 1326 C GLY A 86 -5.542 -22.809 11.118 1.00 0.00 C ATOM 1327 O GLY A 86 -5.607 -22.932 9.894 1.00 0.00 O ATOM 0 H GLY A 86 -6.692 -20.675 12.720 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.235 -21.115 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.614 -21.759 12.735 1.00 0.00 H new ATOM 1331 N PRO A 87 -5.907 -23.791 11.955 1.00 0.00 N ATOM 1332 CA PRO A 87 -6.411 -25.085 11.486 1.00 0.00 C ATOM 1333 C PRO A 87 -7.796 -24.974 10.857 1.00 0.00 C ATOM 1334 O PRO A 87 -8.809 -25.186 11.523 1.00 0.00 O ATOM 1335 CB PRO A 87 -6.470 -25.928 12.762 1.00 0.00 C ATOM 1336 CG PRO A 87 -6.614 -24.935 13.864 1.00 0.00 C ATOM 1337 CD PRO A 87 -5.855 -23.715 13.424 1.00 0.00 C ATOM 0 HA PRO A 87 -5.778 -25.510 10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.311 -26.621 12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.567 -26.527 12.884 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.663 -24.699 14.042 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.213 -25.328 14.798 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.316 -22.800 13.795 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.829 -23.727 13.791 1.00 0.00 H new ATOM 1345 N SER A 88 -7.832 -24.641 9.570 1.00 0.00 N ATOM 1346 CA SER A 88 -9.093 -24.499 8.852 1.00 0.00 C ATOM 1347 C SER A 88 -8.990 -25.089 7.450 1.00 0.00 C ATOM 1348 O SER A 88 -8.032 -24.830 6.724 1.00 0.00 O ATOM 1349 CB SER A 88 -9.493 -23.024 8.769 1.00 0.00 C ATOM 1350 OG SER A 88 -10.890 -22.884 8.577 1.00 0.00 O ATOM 0 H SER A 88 -7.002 -24.465 9.004 1.00 0.00 H new ATOM 0 HA SER A 88 -9.859 -25.046 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.195 -22.511 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.960 -22.545 7.947 1.00 0.00 H new ATOM 0 HG SER A 88 -11.120 -21.933 8.529 1.00 0.00 H new ATOM 1356 N SER A 89 -9.986 -25.887 7.076 1.00 0.00 N ATOM 1357 CA SER A 89 -10.007 -26.519 5.761 1.00 0.00 C ATOM 1358 C SER A 89 -8.804 -27.442 5.584 1.00 0.00 C ATOM 1359 O SER A 89 -8.176 -27.465 4.527 1.00 0.00 O ATOM 1360 CB SER A 89 -10.016 -25.456 4.661 1.00 0.00 C ATOM 1361 OG SER A 89 -11.047 -24.509 4.875 1.00 0.00 O ATOM 0 H SER A 89 -10.788 -26.111 7.665 1.00 0.00 H new ATOM 0 HA SER A 89 -10.916 -27.116 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.052 -24.948 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.152 -25.934 3.691 1.00 0.00 H new ATOM 0 HG SER A 89 -11.030 -23.840 4.159 1.00 0.00 H new ATOM 1367 N GLY A 90 -8.491 -28.203 6.628 1.00 0.00 N ATOM 1368 CA GLY A 90 -7.366 -29.118 6.569 1.00 0.00 C ATOM 1369 C GLY A 90 -7.562 -30.337 7.447 1.00 0.00 C ATOM 1370 O GLY A 90 -7.342 -30.280 8.657 1.00 0.00 O ATOM 0 H GLY A 90 -8.997 -28.202 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.216 -29.438 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.460 -28.595 6.876 1.00 0.00 H new TER 1374 GLY A 90