USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 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 51 THR OG1 : rot 140:sc= -0.2 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.74 K(o=2.5,f=-0.58) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.983 K(o=2.5,f=-7.3!) USER MOD Set 2.1: A 43 MET CE :methyl 142:sc= -1.21 (180deg=-3.92!) USER MOD Set 2.2: A 50 THR OG1 : rot 128:sc= 0.0217 USER MOD Set 3.1: A 7 THR OG1 : rot -100:sc= 0.759 USER MOD Set 3.2: A 18 LYS NZ :NH3+ -166:sc= 2.11 (180deg=1.16) USER MOD Single : A 2 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.32) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0657 X(o=-0.066,f=-0.065) USER MOD Single : A 22 SER OG : rot 22:sc= 0.0792 USER MOD Single : A 23 SER OG : rot 64:sc= 0.651 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 1.22 (180deg=-0.45) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.734 K(o=0.73,f=-0.021) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 0.938 (180deg=0.522) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -52:sc= 1.52 USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 65 TYR OH : rot -76:sc= 1.34 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.679 8.326 -6.039 1.00 0.00 N ATOM 14 CA ASN A 2 -3.467 7.617 -6.371 1.00 0.00 C ATOM 15 C ASN A 2 -3.113 6.666 -5.233 1.00 0.00 C ATOM 16 O ASN A 2 -2.606 7.110 -4.203 1.00 0.00 O ATOM 17 CB ASN A 2 -2.297 8.587 -6.628 1.00 0.00 C ATOM 18 CG ASN A 2 -2.602 9.999 -7.113 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.265 10.797 -6.456 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.065 10.347 -8.263 1.00 0.00 N ATOM 0 HA ASN A 2 -3.638 7.054 -7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.731 8.673 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.639 8.122 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.197 11.293 -8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.517 9.671 -8.795 1.00 0.00 H new ATOM 27 N VAL A 3 -3.340 5.364 -5.386 1.00 0.00 N ATOM 28 CA VAL A 3 -2.800 4.403 -4.423 1.00 0.00 C ATOM 29 C VAL A 3 -1.300 4.303 -4.683 1.00 0.00 C ATOM 30 O VAL A 3 -0.834 4.608 -5.784 1.00 0.00 O ATOM 31 CB VAL A 3 -3.423 3.005 -4.581 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.220 2.114 -3.340 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.920 3.086 -4.850 1.00 0.00 C ATOM 0 H VAL A 3 -3.881 4.955 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.027 4.747 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.905 2.560 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.681 1.141 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.154 1.983 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.682 2.587 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.326 2.080 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.412 3.590 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.095 3.646 -5.769 1.00 0.00 H new ATOM 43 N GLU A 4 -0.550 3.806 -3.710 1.00 0.00 N ATOM 44 CA GLU A 4 0.857 3.532 -3.884 1.00 0.00 C ATOM 45 C GLU A 4 1.136 2.439 -2.860 1.00 0.00 C ATOM 46 O GLU A 4 0.942 2.674 -1.666 1.00 0.00 O ATOM 47 CB GLU A 4 1.599 4.861 -3.582 1.00 0.00 C ATOM 48 CG GLU A 4 2.685 5.342 -4.540 1.00 0.00 C ATOM 49 CD GLU A 4 2.937 6.841 -4.322 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.003 7.665 -4.469 1.00 0.00 O ATOM 51 OE2 GLU A 4 4.091 7.237 -4.046 1.00 0.00 O ATOM 0 H GLU A 4 -0.906 3.584 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 4 1.171 3.202 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.848 5.648 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.051 4.767 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.605 4.781 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.381 5.160 -5.571 1.00 0.00 H new ATOM 58 N ILE A 5 1.453 1.217 -3.301 1.00 0.00 N ATOM 59 CA ILE A 5 1.517 0.068 -2.398 1.00 0.00 C ATOM 60 C ILE A 5 2.845 -0.676 -2.491 1.00 0.00 C ATOM 61 O ILE A 5 3.144 -1.290 -3.512 1.00 0.00 O ATOM 62 CB ILE A 5 0.240 -0.784 -2.533 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.210 -1.759 -1.342 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.033 -1.589 -3.826 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.157 -2.405 -1.104 1.00 0.00 C ATOM 0 H ILE A 5 1.668 1.001 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 5 1.519 0.413 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.572 -0.057 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.948 -2.544 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.511 -1.225 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.909 -2.135 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.007 -0.909 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.854 -2.295 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.097 -3.078 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.896 -1.629 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.452 -2.968 -1.989 1.00 0.00 H new ATOM 77 N TYR A 6 3.664 -0.595 -1.443 1.00 0.00 N ATOM 78 CA TYR A 6 5.033 -1.087 -1.464 1.00 0.00 C ATOM 79 C TYR A 6 5.049 -2.546 -1.025 1.00 0.00 C ATOM 80 O TYR A 6 4.519 -2.863 0.047 1.00 0.00 O ATOM 81 CB TYR A 6 5.914 -0.206 -0.577 1.00 0.00 C ATOM 82 CG TYR A 6 6.226 1.151 -1.183 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.244 2.158 -1.216 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.500 1.401 -1.733 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.526 3.397 -1.810 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.800 2.652 -2.299 1.00 0.00 C ATOM 87 CZ TYR A 6 6.809 3.654 -2.344 1.00 0.00 C ATOM 88 OH TYR A 6 7.086 4.876 -2.873 1.00 0.00 O ATOM 0 H TYR A 6 3.390 -0.182 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 6 5.439 -1.037 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.418 -0.060 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.849 -0.728 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.271 1.977 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.251 0.625 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.760 4.157 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.785 2.845 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 6 8.011 4.890 -3.196 1.00 0.00 H new ATOM 98 N THR A 7 5.608 -3.431 -1.857 1.00 0.00 N ATOM 99 CA THR A 7 5.555 -4.879 -1.660 1.00 0.00 C ATOM 100 C THR A 7 6.884 -5.546 -2.052 1.00 0.00 C ATOM 101 O THR A 7 7.791 -4.890 -2.563 1.00 0.00 O ATOM 102 CB THR A 7 4.332 -5.473 -2.396 1.00 0.00 C ATOM 103 OG1 THR A 7 4.456 -5.460 -3.806 1.00 0.00 O ATOM 104 CG2 THR A 7 3.023 -4.734 -2.105 1.00 0.00 C ATOM 0 H THR A 7 6.116 -3.155 -2.697 1.00 0.00 H new ATOM 0 HA THR A 7 5.421 -5.090 -0.599 1.00 0.00 H new ATOM 0 HB THR A 7 4.304 -6.493 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.954 -4.702 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.209 -5.206 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.811 -4.776 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.116 -3.693 -2.416 1.00 0.00 H new ATOM 112 N LYS A 8 7.037 -6.850 -1.797 1.00 0.00 N ATOM 113 CA LYS A 8 8.310 -7.579 -1.965 1.00 0.00 C ATOM 114 C LYS A 8 8.073 -8.979 -2.525 1.00 0.00 C ATOM 115 O LYS A 8 6.930 -9.323 -2.832 1.00 0.00 O ATOM 116 CB LYS A 8 9.165 -7.584 -0.668 1.00 0.00 C ATOM 117 CG LYS A 8 8.527 -6.931 0.569 1.00 0.00 C ATOM 118 CD LYS A 8 9.481 -6.884 1.765 1.00 0.00 C ATOM 119 CE LYS A 8 9.510 -8.227 2.504 1.00 0.00 C ATOM 120 NZ LYS A 8 10.747 -8.377 3.288 1.00 0.00 N ATOM 0 H LYS A 8 6.275 -7.440 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 8 8.902 -7.038 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.408 -8.618 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.106 -7.076 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.212 -5.918 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.630 -7.484 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.485 -6.632 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.171 -6.095 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.646 -8.300 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.431 -9.042 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.739 -9.295 3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.569 -8.331 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.808 -7.612 3.989 1.00 0.00 H new ATOM 134 N GLU A 9 9.137 -9.764 -2.693 1.00 0.00 N ATOM 135 CA GLU A 9 9.091 -11.151 -3.161 1.00 0.00 C ATOM 136 C GLU A 9 8.240 -12.042 -2.243 1.00 0.00 C ATOM 137 O GLU A 9 7.535 -12.937 -2.714 1.00 0.00 O ATOM 138 CB GLU A 9 10.532 -11.671 -3.324 1.00 0.00 C ATOM 139 CG GLU A 9 11.374 -11.682 -2.029 1.00 0.00 C ATOM 140 CD GLU A 9 11.564 -13.079 -1.436 1.00 0.00 C ATOM 141 OE1 GLU A 9 10.592 -13.861 -1.352 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.717 -13.439 -1.103 1.00 0.00 O ATOM 0 H GLU A 9 10.086 -9.443 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 9 8.597 -11.186 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.493 -12.685 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.042 -11.056 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.352 -11.248 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.894 -11.044 -1.287 1.00 0.00 H new ATOM 149 N THR A 10 8.211 -11.734 -0.948 1.00 0.00 N ATOM 150 CA THR A 10 7.325 -12.303 0.053 1.00 0.00 C ATOM 151 C THR A 10 6.795 -11.122 0.862 1.00 0.00 C ATOM 152 O THR A 10 7.494 -10.110 0.990 1.00 0.00 O ATOM 153 CB THR A 10 8.086 -13.355 0.888 1.00 0.00 C ATOM 154 OG1 THR A 10 7.255 -13.979 1.852 1.00 0.00 O ATOM 155 CG2 THR A 10 9.293 -12.792 1.646 1.00 0.00 C ATOM 0 H THR A 10 8.844 -11.040 -0.551 1.00 0.00 H new ATOM 0 HA THR A 10 6.480 -12.844 -0.374 1.00 0.00 H new ATOM 0 HB THR A 10 8.429 -14.072 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.777 -14.638 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.775 -13.592 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.004 -12.369 0.936 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.960 -12.014 2.333 1.00 0.00 H new ATOM 163 N CYS A 11 5.563 -11.252 1.356 1.00 0.00 N ATOM 164 CA CYS A 11 4.824 -10.359 2.237 1.00 0.00 C ATOM 165 C CYS A 11 3.351 -10.790 2.144 1.00 0.00 C ATOM 166 O CYS A 11 2.623 -10.274 1.289 1.00 0.00 O ATOM 167 CB CYS A 11 5.032 -8.882 1.874 1.00 0.00 C ATOM 168 SG CYS A 11 4.019 -7.686 2.768 1.00 0.00 S ATOM 0 H CYS A 11 5.004 -12.072 1.122 1.00 0.00 H new ATOM 0 HA CYS A 11 5.182 -10.437 3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.080 -8.634 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.841 -8.762 0.808 1.00 0.00 H new ATOM 173 N PRO A 12 2.863 -11.720 2.984 1.00 0.00 N ATOM 174 CA PRO A 12 1.491 -12.211 2.895 1.00 0.00 C ATOM 175 C PRO A 12 0.476 -11.083 3.100 1.00 0.00 C ATOM 176 O PRO A 12 -0.572 -11.069 2.455 1.00 0.00 O ATOM 177 CB PRO A 12 1.365 -13.313 3.950 1.00 0.00 C ATOM 178 CG PRO A 12 2.489 -13.008 4.938 1.00 0.00 C ATOM 179 CD PRO A 12 3.570 -12.384 4.065 1.00 0.00 C ATOM 0 HA PRO A 12 1.273 -12.607 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.390 -13.291 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.479 -14.303 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.161 -12.324 5.721 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.845 -13.912 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.172 -11.675 4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.250 -13.144 3.680 1.00 0.00 H new ATOM 187 N TYR A 13 0.814 -10.065 3.895 1.00 0.00 N ATOM 188 CA TYR A 13 -0.072 -8.933 4.125 1.00 0.00 C ATOM 189 C TYR A 13 -0.115 -8.040 2.882 1.00 0.00 C ATOM 190 O TYR A 13 -1.149 -7.449 2.580 1.00 0.00 O ATOM 191 CB TYR A 13 0.449 -8.127 5.318 1.00 0.00 C ATOM 192 CG TYR A 13 0.368 -8.832 6.652 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.829 -8.782 7.389 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.488 -9.507 7.174 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.916 -9.414 8.639 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.405 -10.148 8.421 1.00 0.00 C ATOM 197 CZ TYR A 13 0.198 -10.111 9.155 1.00 0.00 C ATOM 198 OH TYR A 13 0.126 -10.759 10.348 1.00 0.00 O ATOM 0 H TYR A 13 1.703 -10.006 4.391 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.078 -9.296 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.488 -7.858 5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.114 -7.196 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.684 -8.255 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.412 -9.532 6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.834 -9.367 9.206 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.263 -10.669 8.819 1.00 0.00 H new ATOM 0 HH TYR A 13 0.988 -11.184 10.542 1.00 0.00 H new ATOM 208 N CYS A 14 0.978 -7.950 2.123 1.00 0.00 N ATOM 209 CA CYS A 14 1.021 -7.209 0.871 1.00 0.00 C ATOM 210 C CYS A 14 0.096 -7.874 -0.129 1.00 0.00 C ATOM 211 O CYS A 14 -0.725 -7.191 -0.745 1.00 0.00 O ATOM 212 CB CYS A 14 2.430 -7.175 0.296 1.00 0.00 C ATOM 213 SG CYS A 14 3.659 -6.327 1.305 1.00 0.00 S ATOM 0 H CYS A 14 1.863 -8.395 2.366 1.00 0.00 H new ATOM 0 HA CYS A 14 0.705 -6.185 1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.763 -8.200 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.393 -6.694 -0.682 1.00 0.00 H new ATOM 218 N HIS A 15 0.193 -9.203 -0.235 1.00 0.00 N ATOM 219 CA HIS A 15 -0.773 -9.987 -0.978 1.00 0.00 C ATOM 220 C HIS A 15 -2.180 -9.640 -0.503 1.00 0.00 C ATOM 221 O HIS A 15 -2.995 -9.300 -1.350 1.00 0.00 O ATOM 222 CB HIS A 15 -0.466 -11.487 -0.887 1.00 0.00 C ATOM 223 CG HIS A 15 -1.680 -12.326 -1.177 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.414 -12.308 -2.350 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.355 -13.076 -0.255 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.521 -13.036 -2.132 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.497 -13.532 -0.881 1.00 0.00 N ATOM 0 H HIS A 15 0.939 -9.753 0.191 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.706 -9.736 -2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.326 -11.739 -1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.092 -11.721 0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.054 -13.273 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.310 -13.199 -2.851 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.203 -14.141 -0.466 1.00 0.00 H new ATOM 236 N ARG A 16 -2.481 -9.685 0.802 1.00 0.00 N ATOM 237 CA ARG A 16 -3.827 -9.397 1.291 1.00 0.00 C ATOM 238 C ARG A 16 -4.326 -8.041 0.806 1.00 0.00 C ATOM 239 O ARG A 16 -5.427 -7.969 0.270 1.00 0.00 O ATOM 240 CB ARG A 16 -3.914 -9.472 2.826 1.00 0.00 C ATOM 241 CG ARG A 16 -3.852 -10.879 3.440 1.00 0.00 C ATOM 242 CD ARG A 16 -4.948 -11.801 2.884 1.00 0.00 C ATOM 243 NE ARG A 16 -5.197 -12.937 3.782 1.00 0.00 N ATOM 244 CZ ARG A 16 -6.073 -12.962 4.798 1.00 0.00 C ATOM 245 NH1 ARG A 16 -6.855 -11.913 5.045 1.00 0.00 N ATOM 246 NH2 ARG A 16 -6.149 -14.036 5.572 1.00 0.00 N ATOM 0 H ARG A 16 -1.809 -9.918 1.533 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.473 -10.171 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.101 -8.879 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.846 -9.002 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.874 -11.318 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.955 -10.806 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.869 -11.234 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.652 -12.169 1.902 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.654 -13.785 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.791 -11.080 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.518 -11.942 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.543 -14.837 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.813 -14.061 6.346 1.00 0.00 H new ATOM 260 N ALA A 17 -3.544 -6.975 0.970 1.00 0.00 N ATOM 261 CA ALA A 17 -3.975 -5.648 0.557 1.00 0.00 C ATOM 262 C ALA A 17 -4.167 -5.568 -0.959 1.00 0.00 C ATOM 263 O ALA A 17 -5.214 -5.107 -1.403 1.00 0.00 O ATOM 264 CB ALA A 17 -2.971 -4.600 1.041 1.00 0.00 C ATOM 0 H ALA A 17 -2.613 -7.008 1.385 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.943 -5.444 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.300 -3.609 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.905 -4.634 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.991 -4.809 0.612 1.00 0.00 H new ATOM 270 N LYS A 18 -3.194 -6.000 -1.770 1.00 0.00 N ATOM 271 CA LYS A 18 -3.348 -5.937 -3.227 1.00 0.00 C ATOM 272 C LYS A 18 -4.514 -6.805 -3.691 1.00 0.00 C ATOM 273 O LYS A 18 -5.244 -6.395 -4.588 1.00 0.00 O ATOM 274 CB LYS A 18 -2.052 -6.336 -3.948 1.00 0.00 C ATOM 275 CG LYS A 18 -0.912 -5.336 -3.700 1.00 0.00 C ATOM 276 CD LYS A 18 0.279 -5.522 -4.651 1.00 0.00 C ATOM 277 CE LYS A 18 0.948 -6.886 -4.458 1.00 0.00 C ATOM 278 NZ LYS A 18 2.293 -6.939 -5.070 1.00 0.00 N ATOM 0 H LYS A 18 -2.308 -6.390 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.567 -4.902 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.743 -7.326 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.242 -6.408 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.298 -4.322 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.566 -5.439 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.060 -5.425 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.009 -4.731 -4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.026 -7.103 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.320 -7.662 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.610 -7.928 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.256 -6.531 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.961 -6.395 -4.488 1.00 0.00 H new ATOM 292 N ALA A 19 -4.721 -7.963 -3.064 1.00 0.00 N ATOM 293 CA ALA A 19 -5.837 -8.840 -3.352 1.00 0.00 C ATOM 294 C ALA A 19 -7.145 -8.119 -3.050 1.00 0.00 C ATOM 295 O ALA A 19 -8.050 -8.171 -3.873 1.00 0.00 O ATOM 296 CB ALA A 19 -5.707 -10.138 -2.548 1.00 0.00 C ATOM 0 H ALA A 19 -4.104 -8.316 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.834 -9.106 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.551 -10.791 -2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.778 -10.641 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.699 -9.907 -1.483 1.00 0.00 H new ATOM 302 N LEU A 20 -7.238 -7.407 -1.920 1.00 0.00 N ATOM 303 CA LEU A 20 -8.434 -6.656 -1.543 1.00 0.00 C ATOM 304 C LEU A 20 -8.757 -5.633 -2.628 1.00 0.00 C ATOM 305 O LEU A 20 -9.894 -5.531 -3.080 1.00 0.00 O ATOM 306 CB LEU A 20 -8.230 -5.940 -0.194 1.00 0.00 C ATOM 307 CG LEU A 20 -9.541 -5.313 0.325 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.312 -6.333 1.158 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.270 -4.077 1.183 1.00 0.00 C ATOM 0 H LEU A 20 -6.480 -7.338 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.264 -7.354 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.851 -6.650 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.474 -5.162 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.128 -5.013 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.236 -5.883 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.548 -7.201 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.703 -6.645 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.216 -3.661 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.658 -4.357 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.742 -3.330 0.589 1.00 0.00 H new ATOM 321 N LEU A 21 -7.750 -4.872 -3.052 1.00 0.00 N ATOM 322 CA LEU A 21 -7.922 -3.825 -4.045 1.00 0.00 C ATOM 323 C LEU A 21 -8.335 -4.407 -5.393 1.00 0.00 C ATOM 324 O LEU A 21 -9.194 -3.830 -6.058 1.00 0.00 O ATOM 325 CB LEU A 21 -6.627 -3.012 -4.169 1.00 0.00 C ATOM 326 CG LEU A 21 -6.241 -2.225 -2.903 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.927 -1.492 -3.165 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.302 -1.220 -2.448 1.00 0.00 C ATOM 0 H LEU A 21 -6.793 -4.968 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.724 -3.162 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.811 -3.689 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.731 -2.312 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.144 -2.950 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.641 -0.930 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.148 -2.216 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.054 -0.807 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.956 -0.706 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.476 -0.491 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.231 -1.746 -2.229 1.00 0.00 H new ATOM 340 N SER A 22 -7.791 -5.558 -5.784 1.00 0.00 N ATOM 341 CA SER A 22 -8.237 -6.255 -6.979 1.00 0.00 C ATOM 342 C SER A 22 -9.637 -6.844 -6.795 1.00 0.00 C ATOM 343 O SER A 22 -10.384 -6.886 -7.770 1.00 0.00 O ATOM 344 CB SER A 22 -7.230 -7.342 -7.365 1.00 0.00 C ATOM 345 OG SER A 22 -6.014 -6.755 -7.793 1.00 0.00 O ATOM 0 H SER A 22 -7.036 -6.027 -5.284 1.00 0.00 H new ATOM 0 HA SER A 22 -8.295 -5.531 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.046 -7.996 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.642 -7.963 -8.160 1.00 0.00 H new ATOM 0 HG SER A 22 -5.942 -5.848 -7.429 1.00 0.00 H new ATOM 351 N SER A 23 -10.047 -7.241 -5.587 1.00 0.00 N ATOM 352 CA SER A 23 -11.425 -7.651 -5.335 1.00 0.00 C ATOM 353 C SER A 23 -12.367 -6.461 -5.497 1.00 0.00 C ATOM 354 O SER A 23 -13.473 -6.618 -6.011 1.00 0.00 O ATOM 355 CB SER A 23 -11.601 -8.251 -3.935 1.00 0.00 C ATOM 356 OG SER A 23 -10.731 -9.343 -3.697 1.00 0.00 O ATOM 0 H SER A 23 -9.440 -7.286 -4.768 1.00 0.00 H new ATOM 0 HA SER A 23 -11.669 -8.422 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.421 -7.478 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.633 -8.580 -3.812 1.00 0.00 H new ATOM 0 HG SER A 23 -9.802 -9.033 -3.724 1.00 0.00 H new ATOM 362 N LYS A 24 -11.938 -5.259 -5.100 1.00 0.00 N ATOM 363 CA LYS A 24 -12.687 -4.043 -5.350 1.00 0.00 C ATOM 364 C LYS A 24 -12.539 -3.576 -6.800 1.00 0.00 C ATOM 365 O LYS A 24 -13.290 -2.706 -7.232 1.00 0.00 O ATOM 366 CB LYS A 24 -12.205 -2.971 -4.371 1.00 0.00 C ATOM 367 CG LYS A 24 -12.592 -3.189 -2.904 1.00 0.00 C ATOM 368 CD LYS A 24 -14.106 -3.388 -2.712 1.00 0.00 C ATOM 369 CE LYS A 24 -14.546 -2.873 -1.343 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.703 -1.406 -1.331 1.00 0.00 N ATOM 0 H LYS A 24 -11.062 -5.111 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.749 -4.234 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.119 -2.908 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.600 -2.007 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.063 -4.061 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.265 -2.332 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.650 -2.862 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.354 -4.445 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.490 -3.341 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.812 -3.166 -0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.481 -1.041 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.055 -0.982 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.683 -1.160 -1.576 1.00 0.00 H new ATOM 384 N GLY A 25 -11.593 -4.127 -7.556 1.00 0.00 N ATOM 385 CA GLY A 25 -11.379 -3.791 -8.951 1.00 0.00 C ATOM 386 C GLY A 25 -10.938 -2.339 -9.094 1.00 0.00 C ATOM 387 O GLY A 25 -11.217 -1.722 -10.125 1.00 0.00 O ATOM 0 H GLY A 25 -10.945 -4.832 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.622 -4.450 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.298 -3.954 -9.515 1.00 0.00 H new ATOM 391 N VAL A 26 -10.300 -1.765 -8.067 1.00 0.00 N ATOM 392 CA VAL A 26 -9.885 -0.361 -8.128 1.00 0.00 C ATOM 393 C VAL A 26 -8.667 -0.221 -9.040 1.00 0.00 C ATOM 394 O VAL A 26 -8.032 -1.206 -9.425 1.00 0.00 O ATOM 395 CB VAL A 26 -9.657 0.273 -6.741 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.923 0.197 -5.885 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.484 -0.310 -5.956 1.00 0.00 C ATOM 0 H VAL A 26 -10.063 -2.243 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.710 0.207 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.402 1.311 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.733 0.652 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.732 0.731 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.208 -0.846 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.401 0.197 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.650 -1.375 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.562 -0.169 -6.521 1.00 0.00 H new ATOM 407 N SER A 27 -8.332 1.017 -9.378 1.00 0.00 N ATOM 408 CA SER A 27 -7.102 1.357 -10.056 1.00 0.00 C ATOM 409 C SER A 27 -6.079 1.672 -8.973 1.00 0.00 C ATOM 410 O SER A 27 -6.364 2.488 -8.096 1.00 0.00 O ATOM 411 CB SER A 27 -7.373 2.551 -10.961 1.00 0.00 C ATOM 412 OG SER A 27 -8.319 2.187 -11.956 1.00 0.00 O ATOM 0 H SER A 27 -8.924 1.824 -9.182 1.00 0.00 H new ATOM 0 HA SER A 27 -6.720 0.550 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.751 3.388 -10.373 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.447 2.883 -11.429 1.00 0.00 H new ATOM 0 HG SER A 27 -8.495 2.956 -12.537 1.00 0.00 H new ATOM 418 N PHE A 28 -4.937 0.986 -8.975 1.00 0.00 N ATOM 419 CA PHE A 28 -3.913 1.162 -7.954 1.00 0.00 C ATOM 420 C PHE A 28 -2.514 0.885 -8.513 1.00 0.00 C ATOM 421 O PHE A 28 -2.374 0.344 -9.614 1.00 0.00 O ATOM 422 CB PHE A 28 -4.266 0.303 -6.731 1.00 0.00 C ATOM 423 CG PHE A 28 -4.149 -1.203 -6.858 1.00 0.00 C ATOM 424 CD1 PHE A 28 -5.213 -1.945 -7.403 1.00 0.00 C ATOM 425 CD2 PHE A 28 -3.036 -1.873 -6.316 1.00 0.00 C ATOM 426 CE1 PHE A 28 -5.194 -3.348 -7.356 1.00 0.00 C ATOM 427 CE2 PHE A 28 -3.014 -3.277 -6.276 1.00 0.00 C ATOM 428 CZ PHE A 28 -4.107 -4.013 -6.769 1.00 0.00 C ATOM 0 H PHE A 28 -4.699 0.294 -9.685 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.889 2.202 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.627 0.619 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.292 0.535 -6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.048 -1.433 -7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.200 -1.308 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.015 -3.914 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.157 -3.792 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.109 -5.090 -6.696 1.00 0.00 H new ATOM 438 N GLN A 29 -1.467 1.235 -7.758 1.00 0.00 N ATOM 439 CA GLN A 29 -0.081 1.203 -8.213 1.00 0.00 C ATOM 440 C GLN A 29 0.720 0.515 -7.143 1.00 0.00 C ATOM 441 O GLN A 29 0.612 0.884 -5.977 1.00 0.00 O ATOM 442 CB GLN A 29 0.408 2.637 -8.416 1.00 0.00 C ATOM 443 CG GLN A 29 1.911 2.932 -8.354 1.00 0.00 C ATOM 444 CD GLN A 29 2.605 2.565 -9.656 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.348 3.161 -10.696 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.482 1.581 -9.651 1.00 0.00 N ATOM 0 H GLN A 29 -1.566 1.554 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 29 0.022 0.670 -9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.048 2.971 -9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.079 3.259 -7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.067 3.990 -8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.359 2.374 -7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.692 1.089 -8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.951 1.312 -10.516 1.00 0.00 H new ATOM 455 N GLU A 30 1.555 -0.430 -7.550 1.00 0.00 N ATOM 456 CA GLU A 30 2.373 -1.231 -6.646 1.00 0.00 C ATOM 457 C GLU A 30 3.846 -0.932 -6.888 1.00 0.00 C ATOM 458 O GLU A 30 4.241 -0.585 -8.003 1.00 0.00 O ATOM 459 CB GLU A 30 2.001 -2.721 -6.701 1.00 0.00 C ATOM 460 CG GLU A 30 2.317 -3.429 -8.024 1.00 0.00 C ATOM 461 CD GLU A 30 1.789 -4.865 -7.992 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.496 -5.788 -7.534 1.00 0.00 O ATOM 463 OE2 GLU A 30 0.633 -5.112 -8.406 1.00 0.00 O ATOM 0 H GLU A 30 1.687 -0.667 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 30 2.164 -0.947 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.525 -3.239 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.934 -2.819 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.864 -2.885 -8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.393 -3.433 -8.195 1.00 0.00 H new ATOM 470 N LEU A 31 4.651 -1.021 -5.832 1.00 0.00 N ATOM 471 CA LEU A 31 6.029 -0.555 -5.784 1.00 0.00 C ATOM 472 C LEU A 31 6.912 -1.657 -5.207 1.00 0.00 C ATOM 473 O LEU A 31 7.027 -1.788 -3.989 1.00 0.00 O ATOM 474 CB LEU A 31 6.109 0.752 -4.999 1.00 0.00 C ATOM 475 CG LEU A 31 5.358 1.852 -5.775 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.026 2.178 -5.106 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.235 3.074 -5.919 1.00 0.00 C ATOM 0 H LEU A 31 4.346 -1.437 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 31 6.397 -0.337 -6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.671 0.624 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.150 1.039 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 31 5.128 1.487 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.515 2.957 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.404 1.283 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.205 2.527 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.696 3.846 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.500 3.450 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.142 2.809 -6.462 1.00 0.00 H new ATOM 489 N PRO A 32 7.496 -2.497 -6.069 1.00 0.00 N ATOM 490 CA PRO A 32 8.339 -3.603 -5.653 1.00 0.00 C ATOM 491 C PRO A 32 9.614 -3.062 -4.996 1.00 0.00 C ATOM 492 O PRO A 32 10.291 -2.214 -5.579 1.00 0.00 O ATOM 493 CB PRO A 32 8.646 -4.389 -6.931 1.00 0.00 C ATOM 494 CG PRO A 32 7.675 -3.846 -7.982 1.00 0.00 C ATOM 495 CD PRO A 32 7.414 -2.425 -7.513 1.00 0.00 C ATOM 0 HA PRO A 32 7.858 -4.244 -4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.681 -4.247 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.503 -5.459 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.110 -3.867 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.757 -4.432 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.151 -1.732 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.435 -2.074 -7.838 1.00 0.00 H new ATOM 503 N ILE A 33 9.959 -3.549 -3.807 1.00 0.00 N ATOM 504 CA ILE A 33 11.161 -3.171 -3.061 1.00 0.00 C ATOM 505 C ILE A 33 12.208 -4.300 -3.166 1.00 0.00 C ATOM 506 O ILE A 33 13.228 -4.270 -2.478 1.00 0.00 O ATOM 507 CB ILE A 33 10.832 -2.867 -1.570 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.420 -2.313 -1.246 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.839 -1.859 -0.976 1.00 0.00 C ATOM 510 CD1 ILE A 33 8.963 -2.839 0.116 1.00 0.00 C ATOM 0 H ILE A 33 9.392 -4.241 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 33 11.567 -2.259 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 33 10.889 -3.861 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.439 -1.223 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.714 -2.615 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.587 -1.664 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.846 -2.273 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.797 -0.927 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.971 -2.449 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.928 -3.928 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.664 -2.515 0.885 1.00 0.00 H new ATOM 575 N LYS A 39 14.586 2.800 -4.141 1.00 0.00 N ATOM 576 CA LYS A 39 13.162 2.920 -3.842 1.00 0.00 C ATOM 577 C LYS A 39 12.840 2.494 -2.399 1.00 0.00 C ATOM 578 O LYS A 39 11.718 2.683 -1.938 1.00 0.00 O ATOM 579 CB LYS A 39 12.377 2.135 -4.907 1.00 0.00 C ATOM 580 CG LYS A 39 11.027 2.786 -5.236 1.00 0.00 C ATOM 581 CD LYS A 39 10.404 2.191 -6.507 1.00 0.00 C ATOM 582 CE LYS A 39 10.025 0.719 -6.309 1.00 0.00 C ATOM 583 NZ LYS A 39 10.506 -0.148 -7.402 1.00 0.00 N ATOM 0 HA LYS A 39 12.855 3.965 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.974 2.064 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.210 1.117 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.344 2.650 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.163 3.860 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.517 2.763 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.108 2.279 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.437 0.366 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.941 0.635 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.580 -1.128 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.837 -0.108 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.440 0.180 -7.720 1.00 0.00 H new ATOM 597 N ARG A 40 13.798 1.893 -1.681 1.00 0.00 N ATOM 598 CA ARG A 40 13.681 1.583 -0.258 1.00 0.00 C ATOM 599 C ARG A 40 13.939 2.864 0.533 1.00 0.00 C ATOM 600 O ARG A 40 13.121 3.227 1.369 1.00 0.00 O ATOM 601 CB ARG A 40 14.667 0.465 0.128 1.00 0.00 C ATOM 602 CG ARG A 40 14.445 -0.093 1.533 1.00 0.00 C ATOM 603 CD ARG A 40 15.570 -1.058 1.915 1.00 0.00 C ATOM 604 NE ARG A 40 15.447 -1.453 3.327 1.00 0.00 N ATOM 605 CZ ARG A 40 16.303 -1.159 4.316 1.00 0.00 C ATOM 606 NH1 ARG A 40 17.486 -0.617 4.055 1.00 0.00 N ATOM 607 NH2 ARG A 40 15.954 -1.405 5.573 1.00 0.00 N ATOM 0 H ARG A 40 14.690 1.605 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 40 12.680 1.218 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.582 -0.348 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.684 0.849 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.401 0.725 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.486 -0.609 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.532 -1.942 1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.537 -0.585 1.746 1.00 0.00 H new ATOM 0 HE ARG A 40 14.628 -2.006 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.755 -0.419 3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.127 -0.399 4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.042 -1.814 5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.598 -1.185 6.333 1.00 0.00 H new ATOM 621 N GLU A 41 15.032 3.580 0.258 1.00 0.00 N ATOM 622 CA GLU A 41 15.296 4.856 0.916 1.00 0.00 C ATOM 623 C GLU A 41 14.235 5.896 0.538 1.00 0.00 C ATOM 624 O GLU A 41 13.956 6.800 1.326 1.00 0.00 O ATOM 625 CB GLU A 41 16.735 5.337 0.688 1.00 0.00 C ATOM 626 CG GLU A 41 17.106 5.703 -0.755 1.00 0.00 C ATOM 627 CD GLU A 41 18.491 6.341 -0.844 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.497 5.653 -0.570 1.00 0.00 O ATOM 629 OE2 GLU A 41 18.582 7.560 -1.133 1.00 0.00 O ATOM 0 H GLU A 41 15.745 3.297 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 41 15.213 4.706 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.909 6.209 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.415 4.557 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.079 4.807 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.363 6.392 -1.157 1.00 0.00 H new ATOM 636 N GLU A 42 13.599 5.772 -0.633 1.00 0.00 N ATOM 637 CA GLU A 42 12.418 6.565 -0.957 1.00 0.00 C ATOM 638 C GLU A 42 11.337 6.253 0.076 1.00 0.00 C ATOM 639 O GLU A 42 10.826 7.156 0.731 1.00 0.00 O ATOM 640 CB GLU A 42 11.950 6.296 -2.395 1.00 0.00 C ATOM 641 CG GLU A 42 10.667 7.042 -2.793 1.00 0.00 C ATOM 642 CD GLU A 42 10.827 8.558 -2.937 1.00 0.00 C ATOM 643 OE1 GLU A 42 11.082 9.253 -1.930 1.00 0.00 O ATOM 644 OE2 GLU A 42 10.654 9.073 -4.067 1.00 0.00 O ATOM 0 H GLU A 42 13.887 5.128 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 42 12.652 7.629 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.748 6.577 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.786 5.225 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.306 6.637 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.899 6.841 -2.046 1.00 0.00 H new ATOM 651 N MET A 43 11.030 4.973 0.298 1.00 0.00 N ATOM 652 CA MET A 43 10.064 4.591 1.303 1.00 0.00 C ATOM 653 C MET A 43 10.460 5.026 2.721 1.00 0.00 C ATOM 654 O MET A 43 9.581 5.290 3.541 1.00 0.00 O ATOM 655 CB MET A 43 9.675 3.108 1.197 1.00 0.00 C ATOM 656 CG MET A 43 8.566 2.818 2.214 1.00 0.00 C ATOM 657 SD MET A 43 7.555 1.337 2.019 1.00 0.00 S ATOM 658 CE MET A 43 8.756 0.040 1.667 1.00 0.00 C ATOM 0 H MET A 43 11.442 4.191 -0.211 1.00 0.00 H new ATOM 0 HA MET A 43 9.156 5.154 1.088 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.332 2.878 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.541 2.475 1.391 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.029 2.771 3.199 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.893 3.676 2.219 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.452 -0.882 2.164 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.806 -0.127 0.591 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.737 0.343 2.033 1.00 0.00 H new ATOM 668 N ILE A 44 11.742 5.197 3.024 1.00 0.00 N ATOM 669 CA ILE A 44 12.167 5.825 4.278 1.00 0.00 C ATOM 670 C ILE A 44 11.707 7.288 4.282 1.00 0.00 C ATOM 671 O ILE A 44 11.065 7.713 5.243 1.00 0.00 O ATOM 672 CB ILE A 44 13.683 5.680 4.536 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.123 4.225 4.822 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.128 6.586 5.693 1.00 0.00 C ATOM 675 CD1 ILE A 44 13.701 3.670 6.193 1.00 0.00 C ATOM 0 H ILE A 44 12.511 4.910 2.418 1.00 0.00 H new ATOM 0 HA ILE A 44 11.693 5.302 5.109 1.00 0.00 H new ATOM 0 HB ILE A 44 14.171 5.988 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.714 3.579 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.209 4.169 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.199 6.467 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.912 7.625 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.590 6.310 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.057 2.645 6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.132 4.285 6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.614 3.686 6.273 1.00 0.00 H new ATOM 687 N LYS A 45 11.992 8.066 3.234 1.00 0.00 N ATOM 688 CA LYS A 45 11.536 9.455 3.137 1.00 0.00 C ATOM 689 C LYS A 45 10.020 9.573 3.229 1.00 0.00 C ATOM 690 O LYS A 45 9.509 10.544 3.789 1.00 0.00 O ATOM 691 CB LYS A 45 12.044 10.092 1.830 1.00 0.00 C ATOM 692 CG LYS A 45 13.372 10.832 2.027 1.00 0.00 C ATOM 693 CD LYS A 45 13.156 12.220 2.634 1.00 0.00 C ATOM 694 CE LYS A 45 14.509 12.912 2.826 1.00 0.00 C ATOM 695 NZ LYS A 45 14.471 14.329 2.422 1.00 0.00 N ATOM 0 H LYS A 45 12.542 7.753 2.434 1.00 0.00 H new ATOM 0 HA LYS A 45 11.953 9.994 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.170 9.316 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.295 10.787 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.023 10.247 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.882 10.928 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.519 12.818 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.641 12.134 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.806 12.842 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.268 12.390 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.407 14.757 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.213 14.397 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.765 14.835 2.995 1.00 0.00 H new ATOM 709 N ARG A 46 9.293 8.619 2.663 1.00 0.00 N ATOM 710 CA ARG A 46 7.862 8.687 2.470 1.00 0.00 C ATOM 711 C ARG A 46 7.061 8.073 3.614 1.00 0.00 C ATOM 712 O ARG A 46 5.927 8.503 3.811 1.00 0.00 O ATOM 713 CB ARG A 46 7.581 7.939 1.170 1.00 0.00 C ATOM 714 CG ARG A 46 8.069 8.634 -0.108 1.00 0.00 C ATOM 715 CD ARG A 46 7.329 9.947 -0.379 1.00 0.00 C ATOM 716 NE ARG A 46 6.966 10.046 -1.797 1.00 0.00 N ATOM 717 CZ ARG A 46 5.788 9.686 -2.309 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.709 9.556 -1.543 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.704 9.435 -3.602 1.00 0.00 N ATOM 0 H ARG A 46 9.702 7.751 2.317 1.00 0.00 H new ATOM 0 HA ARG A 46 7.550 9.731 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.047 6.955 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.506 7.778 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.137 8.833 -0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.935 7.963 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.432 10.000 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.959 10.791 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 46 7.666 10.418 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.771 9.733 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.819 9.280 -1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.532 9.518 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.811 9.158 -4.011 1.00 0.00 H new ATOM 733 N SER A 47 7.587 7.079 4.335 1.00 0.00 N ATOM 734 CA SER A 47 6.853 6.379 5.394 1.00 0.00 C ATOM 735 C SER A 47 7.580 6.412 6.745 1.00 0.00 C ATOM 736 O SER A 47 6.986 6.066 7.766 1.00 0.00 O ATOM 737 CB SER A 47 6.612 4.910 5.001 1.00 0.00 C ATOM 738 OG SER A 47 7.799 4.140 5.036 1.00 0.00 O ATOM 0 H SER A 47 8.538 6.735 4.200 1.00 0.00 H new ATOM 0 HA SER A 47 5.906 6.906 5.506 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.878 4.472 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.186 4.870 3.999 1.00 0.00 H new ATOM 0 HG SER A 47 8.495 4.588 4.512 1.00 0.00 H new ATOM 744 N GLY A 48 8.889 6.698 6.750 1.00 0.00 N ATOM 745 CA GLY A 48 9.794 6.548 7.889 1.00 0.00 C ATOM 746 C GLY A 48 10.106 5.078 8.210 1.00 0.00 C ATOM 747 O GLY A 48 11.086 4.782 8.897 1.00 0.00 O ATOM 0 H GLY A 48 9.364 7.056 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.725 7.075 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.350 7.020 8.765 1.00 0.00 H new ATOM 751 N ARG A 49 9.310 4.145 7.683 1.00 0.00 N ATOM 752 CA ARG A 49 9.280 2.733 8.037 1.00 0.00 C ATOM 753 C ARG A 49 10.206 1.896 7.167 1.00 0.00 C ATOM 754 O ARG A 49 11.202 1.395 7.665 1.00 0.00 O ATOM 755 CB ARG A 49 7.829 2.233 7.926 1.00 0.00 C ATOM 756 CG ARG A 49 6.879 2.815 8.985 1.00 0.00 C ATOM 757 CD ARG A 49 6.314 1.706 9.873 1.00 0.00 C ATOM 758 NE ARG A 49 7.352 1.079 10.702 1.00 0.00 N ATOM 759 CZ ARG A 49 7.267 -0.115 11.295 1.00 0.00 C ATOM 760 NH1 ARG A 49 6.130 -0.799 11.255 1.00 0.00 N ATOM 761 NH2 ARG A 49 8.328 -0.607 11.928 1.00 0.00 N ATOM 0 H ARG A 49 8.632 4.373 6.956 1.00 0.00 H new ATOM 0 HA ARG A 49 9.642 2.624 9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.446 2.480 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.824 1.146 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.411 3.542 9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.063 3.347 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.537 2.118 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.842 0.947 9.249 1.00 0.00 H new ATOM 0 HE ARG A 49 8.217 1.603 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.319 -0.413 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.067 -1.711 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.197 -0.074 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.273 -1.518 12.384 1.00 0.00 H new ATOM 775 N THR A 50 9.837 1.721 5.903 1.00 0.00 N ATOM 776 CA THR A 50 10.366 0.816 4.889 1.00 0.00 C ATOM 777 C THR A 50 10.018 -0.657 5.129 1.00 0.00 C ATOM 778 O THR A 50 10.379 -1.525 4.333 1.00 0.00 O ATOM 779 CB THR A 50 11.811 1.132 4.466 1.00 0.00 C ATOM 780 OG1 THR A 50 11.931 0.796 3.106 1.00 0.00 O ATOM 781 CG2 THR A 50 12.933 0.395 5.201 1.00 0.00 C ATOM 0 H THR A 50 9.071 2.275 5.520 1.00 0.00 H new ATOM 0 HA THR A 50 9.812 1.030 3.975 1.00 0.00 H new ATOM 0 HB THR A 50 11.949 2.186 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.294 1.560 2.611 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.897 0.712 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.885 0.627 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.817 -0.679 5.058 1.00 0.00 H new ATOM 789 N THR A 51 9.264 -0.929 6.185 1.00 0.00 N ATOM 790 CA THR A 51 8.633 -2.204 6.466 1.00 0.00 C ATOM 791 C THR A 51 7.447 -2.354 5.518 1.00 0.00 C ATOM 792 O THR A 51 7.148 -1.453 4.723 1.00 0.00 O ATOM 793 CB THR A 51 8.253 -2.203 7.960 1.00 0.00 C ATOM 794 OG1 THR A 51 7.298 -1.207 8.246 1.00 0.00 O ATOM 795 CG2 THR A 51 9.479 -1.869 8.820 1.00 0.00 C ATOM 0 H THR A 51 9.068 -0.230 6.902 1.00 0.00 H new ATOM 0 HA THR A 51 9.281 -3.064 6.297 1.00 0.00 H new ATOM 0 HB THR A 51 7.858 -3.195 8.181 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.639 -1.558 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.197 -1.872 9.873 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.256 -2.614 8.651 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.857 -0.883 8.548 1.00 0.00 H new ATOM 803 N VAL A 52 6.785 -3.502 5.575 1.00 0.00 N ATOM 804 CA VAL A 52 5.686 -3.804 4.669 1.00 0.00 C ATOM 805 C VAL A 52 4.463 -4.370 5.406 1.00 0.00 C ATOM 806 O VAL A 52 4.619 -4.941 6.493 1.00 0.00 O ATOM 807 CB VAL A 52 6.174 -4.800 3.607 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.886 -4.059 2.474 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.993 -5.977 4.160 1.00 0.00 C ATOM 0 H VAL A 52 6.992 -4.244 6.244 1.00 0.00 H new ATOM 0 HA VAL A 52 5.369 -2.874 4.197 1.00 0.00 H new ATOM 0 HB VAL A 52 5.284 -5.280 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.227 -4.777 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.196 -3.354 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.743 -3.518 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.295 -6.628 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.880 -5.597 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.386 -6.542 4.867 1.00 0.00 H new ATOM 819 N PRO A 53 3.259 -4.293 4.805 1.00 0.00 N ATOM 820 CA PRO A 53 2.937 -3.516 3.602 1.00 0.00 C ATOM 821 C PRO A 53 3.030 -2.025 3.928 1.00 0.00 C ATOM 822 O PRO A 53 2.927 -1.653 5.094 1.00 0.00 O ATOM 823 CB PRO A 53 1.485 -3.856 3.242 1.00 0.00 C ATOM 824 CG PRO A 53 1.174 -5.076 4.094 1.00 0.00 C ATOM 825 CD PRO A 53 2.060 -4.917 5.319 1.00 0.00 C ATOM 0 HA PRO A 53 3.620 -3.746 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.813 -3.028 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.377 -4.073 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.120 -5.111 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.396 -6.000 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.583 -4.299 6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.278 -5.880 5.782 1.00 0.00 H new ATOM 833 N GLN A 54 3.147 -1.175 2.912 1.00 0.00 N ATOM 834 CA GLN A 54 3.034 0.263 3.080 1.00 0.00 C ATOM 835 C GLN A 54 2.128 0.746 1.965 1.00 0.00 C ATOM 836 O GLN A 54 2.563 0.854 0.819 1.00 0.00 O ATOM 837 CB GLN A 54 4.432 0.914 3.117 1.00 0.00 C ATOM 838 CG GLN A 54 4.743 1.730 4.381 1.00 0.00 C ATOM 839 CD GLN A 54 4.478 1.013 5.706 1.00 0.00 C ATOM 840 OE1 GLN A 54 3.523 1.340 6.403 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.330 0.099 6.116 1.00 0.00 N ATOM 0 H GLN A 54 3.323 -1.468 1.951 1.00 0.00 H new ATOM 0 HA GLN A 54 2.589 0.550 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.183 0.130 3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.534 1.566 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.791 2.028 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.151 2.645 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.120 -0.163 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.201 -0.348 7.024 1.00 0.00 H new ATOM 850 N ILE A 55 0.847 0.922 2.280 1.00 0.00 N ATOM 851 CA ILE A 55 -0.111 1.541 1.382 1.00 0.00 C ATOM 852 C ILE A 55 -0.092 3.042 1.662 1.00 0.00 C ATOM 853 O ILE A 55 0.046 3.489 2.808 1.00 0.00 O ATOM 854 CB ILE A 55 -1.537 0.966 1.535 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.595 -0.568 1.707 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.397 1.325 0.307 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.462 -1.069 3.135 1.00 0.00 C ATOM 0 H ILE A 55 0.447 0.635 3.173 1.00 0.00 H new ATOM 0 HA ILE A 55 0.175 1.330 0.352 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.919 1.419 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.541 -0.927 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.801 -1.014 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.398 0.912 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.460 2.409 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.941 0.908 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.516 -2.158 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.504 -0.749 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.271 -0.660 3.741 1.00 0.00 H new ATOM 869 N PHE A 56 -0.303 3.803 0.604 1.00 0.00 N ATOM 870 CA PHE A 56 -0.539 5.219 0.534 1.00 0.00 C ATOM 871 C PHE A 56 -1.757 5.401 -0.365 1.00 0.00 C ATOM 872 O PHE A 56 -1.930 4.611 -1.297 1.00 0.00 O ATOM 873 CB PHE A 56 0.648 5.877 -0.159 1.00 0.00 C ATOM 874 CG PHE A 56 1.930 5.927 0.637 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.683 4.759 0.876 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.391 7.163 1.114 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.827 4.813 1.687 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.552 7.218 1.891 1.00 0.00 C ATOM 879 CZ PHE A 56 4.236 6.044 2.233 1.00 0.00 C ATOM 0 H PHE A 56 -0.313 3.389 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.683 5.651 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.841 5.345 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.369 6.896 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.379 3.822 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.851 8.069 0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.391 3.915 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.925 8.173 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.074 6.084 2.913 1.00 0.00 H new ATOM 889 N ILE A 57 -2.573 6.427 -0.137 1.00 0.00 N ATOM 890 CA ILE A 57 -3.621 6.848 -1.048 1.00 0.00 C ATOM 891 C ILE A 57 -3.505 8.369 -1.058 1.00 0.00 C ATOM 892 O ILE A 57 -3.675 8.999 -0.021 1.00 0.00 O ATOM 893 CB ILE A 57 -4.994 6.357 -0.559 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.071 4.814 -0.460 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.101 6.876 -1.498 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.321 4.310 0.264 1.00 0.00 C ATOM 0 H ILE A 57 -2.519 6.998 0.706 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.520 6.434 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.139 6.754 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.048 4.392 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.187 4.447 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.071 6.525 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.091 7.966 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.925 6.505 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.308 3.221 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.336 4.703 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.211 4.647 -0.268 1.00 0.00 H new ATOM 908 N ASP A 58 -3.174 8.976 -2.190 1.00 0.00 N ATOM 909 CA ASP A 58 -3.102 10.424 -2.365 1.00 0.00 C ATOM 910 C ASP A 58 -2.031 11.018 -1.443 1.00 0.00 C ATOM 911 O ASP A 58 -2.234 12.062 -0.818 1.00 0.00 O ATOM 912 CB ASP A 58 -4.471 11.093 -2.120 1.00 0.00 C ATOM 913 CG ASP A 58 -5.651 10.409 -2.791 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.434 9.718 -3.804 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.792 10.588 -2.301 1.00 0.00 O ATOM 0 H ASP A 58 -2.941 8.460 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.823 10.625 -3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.654 11.128 -1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.422 12.124 -2.469 1.00 0.00 H new ATOM 920 N ALA A 59 -0.896 10.322 -1.331 1.00 0.00 N ATOM 921 CA ALA A 59 0.285 10.589 -0.513 1.00 0.00 C ATOM 922 C ALA A 59 0.099 10.289 0.976 1.00 0.00 C ATOM 923 O ALA A 59 1.055 10.353 1.750 1.00 0.00 O ATOM 924 CB ALA A 59 0.722 12.037 -0.694 1.00 0.00 C ATOM 0 H ALA A 59 -0.772 9.466 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 59 1.056 9.904 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.603 12.230 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.962 12.216 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.086 12.702 -0.388 1.00 0.00 H new ATOM 930 N GLN A 60 -1.123 9.999 1.395 1.00 0.00 N ATOM 931 CA GLN A 60 -1.534 9.754 2.768 1.00 0.00 C ATOM 932 C GLN A 60 -1.011 8.369 3.118 1.00 0.00 C ATOM 933 O GLN A 60 -1.561 7.375 2.652 1.00 0.00 O ATOM 934 CB GLN A 60 -3.059 9.825 2.724 1.00 0.00 C ATOM 935 CG GLN A 60 -3.988 9.930 3.930 1.00 0.00 C ATOM 936 CD GLN A 60 -5.436 10.115 3.427 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.685 10.059 2.121 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -6.362 10.319 4.207 1.00 0.00 N flip ATOM 0 H GLN A 60 -1.904 9.924 0.743 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.160 10.454 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.295 10.683 2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.379 8.935 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.913 9.032 4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.696 10.771 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.183 10.364 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.310 10.443 3.852 1.00 0.00 H new ATOM 947 N HIS A 61 0.100 8.280 3.848 1.00 0.00 N ATOM 948 CA HIS A 61 0.635 7.001 4.300 1.00 0.00 C ATOM 949 C HIS A 61 -0.416 6.336 5.192 1.00 0.00 C ATOM 950 O HIS A 61 -0.631 6.799 6.314 1.00 0.00 O ATOM 951 CB HIS A 61 1.963 7.239 5.039 1.00 0.00 C ATOM 952 CG HIS A 61 2.491 6.017 5.745 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.132 6.036 6.968 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.328 4.713 5.360 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.334 4.763 7.338 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.837 3.947 6.392 1.00 0.00 N ATOM 0 H HIS A 61 0.650 9.088 4.140 1.00 0.00 H new ATOM 0 HA HIS A 61 0.847 6.337 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.709 7.586 4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.825 8.038 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.891 4.356 4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.818 4.444 8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.836 2.928 6.430 1.00 0.00 H new ATOM 965 N ILE A 62 -1.092 5.300 4.701 1.00 0.00 N ATOM 966 CA ILE A 62 -2.190 4.638 5.389 1.00 0.00 C ATOM 967 C ILE A 62 -1.621 3.787 6.521 1.00 0.00 C ATOM 968 O ILE A 62 -1.998 3.970 7.676 1.00 0.00 O ATOM 969 CB ILE A 62 -3.008 3.795 4.380 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.392 4.575 3.105 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.262 3.193 5.028 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.197 5.857 3.349 1.00 0.00 C ATOM 0 H ILE A 62 -0.884 4.890 3.791 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.869 5.372 5.823 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.346 2.985 4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.480 4.833 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.971 3.918 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.809 2.609 4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.969 2.547 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.899 3.995 5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.419 6.334 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.129 5.610 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.616 6.539 3.969 1.00 0.00 H new ATOM 984 N GLY A 63 -0.712 2.866 6.192 1.00 0.00 N ATOM 985 CA GLY A 63 -0.241 1.832 7.095 1.00 0.00 C ATOM 986 C GLY A 63 -0.130 0.530 6.314 1.00 0.00 C ATOM 987 O GLY A 63 0.262 0.568 5.144 1.00 0.00 O ATOM 0 H GLY A 63 -0.279 2.824 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.727 2.107 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.930 1.716 7.931 1.00 0.00 H new ATOM 991 N GLY A 64 -0.483 -0.586 6.953 1.00 0.00 N ATOM 992 CA GLY A 64 -0.413 -1.941 6.417 1.00 0.00 C ATOM 993 C GLY A 64 -1.796 -2.447 6.000 1.00 0.00 C ATOM 994 O GLY A 64 -2.746 -1.667 5.906 1.00 0.00 O ATOM 0 H GLY A 64 -0.844 -0.565 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.258 -1.960 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.010 -2.609 7.167 1.00 0.00 H new ATOM 998 N TYR A 65 -1.921 -3.743 5.689 1.00 0.00 N ATOM 999 CA TYR A 65 -3.168 -4.313 5.176 1.00 0.00 C ATOM 1000 C TYR A 65 -4.324 -4.072 6.133 1.00 0.00 C ATOM 1001 O TYR A 65 -5.406 -3.726 5.674 1.00 0.00 O ATOM 1002 CB TYR A 65 -3.042 -5.814 4.851 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.362 -6.562 4.744 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.312 -6.203 3.771 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.653 -7.606 5.644 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.510 -6.927 3.629 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.849 -8.329 5.519 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.767 -8.019 4.492 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.843 -8.831 4.316 1.00 0.00 O ATOM 0 H TYR A 65 -1.165 -4.420 5.786 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.378 -3.795 4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.503 -5.922 3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.435 -6.288 5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.119 -5.360 3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.955 -7.850 6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.226 -6.652 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.069 -9.127 6.212 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.652 -8.375 4.630 1.00 0.00 H new ATOM 1019 N ASP A 66 -4.109 -4.240 7.435 1.00 0.00 N ATOM 1020 CA ASP A 66 -5.186 -4.104 8.413 1.00 0.00 C ATOM 1021 C ASP A 66 -5.700 -2.661 8.421 1.00 0.00 C ATOM 1022 O ASP A 66 -6.907 -2.444 8.503 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.672 -4.507 9.797 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.616 -4.097 10.929 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -5.603 -2.928 11.371 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -6.303 -5.008 11.449 1.00 0.00 O ATOM 0 H ASP A 66 -3.200 -4.470 7.837 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.013 -4.761 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.528 -5.587 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.696 -4.051 9.963 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.791 -1.691 8.272 1.00 0.00 N ATOM 1032 CA ASP A 67 -5.097 -0.259 8.252 1.00 0.00 C ATOM 1033 C ASP A 67 -5.927 0.076 7.022 1.00 0.00 C ATOM 1034 O ASP A 67 -6.922 0.796 7.105 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.818 0.594 8.176 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.932 0.507 9.403 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -2.057 -0.388 9.449 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -3.049 1.379 10.292 1.00 0.00 O ATOM 0 H ASP A 67 -3.796 -1.887 8.159 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.636 -0.037 9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.241 0.285 7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.099 1.635 8.019 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.479 -0.428 5.874 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.090 -0.265 4.565 1.00 0.00 C ATOM 1045 C LEU A 68 -7.470 -0.884 4.549 1.00 0.00 C ATOM 1046 O LEU A 68 -8.444 -0.212 4.218 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.137 -0.904 3.537 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.586 -1.081 2.072 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.210 -2.451 1.797 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.498 0.026 1.558 1.00 0.00 C ATOM 0 H LEU A 68 -4.631 -0.993 5.835 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.232 0.786 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.225 -0.307 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.868 -1.890 3.915 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.655 -1.011 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.505 -2.513 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.483 -3.233 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.088 -2.585 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.766 -0.176 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.402 0.064 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.979 0.983 1.619 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.565 -2.157 4.903 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.827 -2.858 4.885 1.00 0.00 C ATOM 1064 C TYR A 69 -9.774 -2.192 5.884 1.00 0.00 C ATOM 1065 O TYR A 69 -10.958 -2.069 5.590 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.590 -4.337 5.192 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.783 -5.267 5.064 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.915 -4.921 4.294 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.677 -6.570 5.583 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.901 -5.874 4.009 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.650 -7.538 5.283 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.756 -7.196 4.473 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.663 -8.141 4.115 1.00 0.00 O ATOM 0 H TYR A 69 -6.773 -2.723 5.207 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.292 -2.806 3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.805 -4.699 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.207 -4.415 6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.021 -3.913 3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.842 -6.828 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.772 -5.595 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.553 -8.541 5.671 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.417 -9.000 4.518 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.274 -1.676 7.013 1.00 0.00 N ATOM 1084 CA ALA A 70 -10.102 -0.912 7.924 1.00 0.00 C ATOM 1085 C ALA A 70 -10.571 0.407 7.301 1.00 0.00 C ATOM 1086 O ALA A 70 -11.715 0.802 7.526 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.367 -0.650 9.234 1.00 0.00 C ATOM 0 H ALA A 70 -8.303 -1.779 7.308 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.988 -1.511 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.008 -0.075 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.112 -1.600 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.455 -0.088 9.033 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.714 1.152 6.595 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.111 2.358 5.883 1.00 0.00 C ATOM 1095 C LEU A 71 -11.231 2.043 4.890 1.00 0.00 C ATOM 1096 O LEU A 71 -12.232 2.755 4.818 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.883 2.980 5.214 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.214 4.222 4.365 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.817 5.349 5.215 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.931 4.731 3.711 1.00 0.00 C ATOM 0 H LEU A 71 -8.723 0.929 6.505 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.512 3.092 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.160 3.256 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.405 2.232 4.581 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.949 3.932 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.036 6.207 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.737 4.999 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.106 5.642 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.155 5.611 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.209 4.995 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.513 3.951 3.075 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.072 0.966 4.121 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.085 0.510 3.179 1.00 0.00 C ATOM 1114 C ASP A 72 -13.372 0.113 3.902 1.00 0.00 C ATOM 1115 O ASP A 72 -14.468 0.502 3.498 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.554 -0.632 2.305 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.663 -1.146 1.387 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.281 -0.317 0.683 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -12.925 -2.367 1.373 1.00 0.00 O ATOM 0 H ASP A 72 -10.233 0.386 4.136 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.326 1.342 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.710 -0.283 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.187 -1.442 2.935 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.243 -0.562 5.040 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.352 -0.981 5.886 1.00 0.00 C ATOM 1126 C ALA A 73 -15.124 0.232 6.418 1.00 0.00 C ATOM 1127 O ALA A 73 -16.347 0.181 6.575 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.799 -1.837 7.031 1.00 0.00 C ATOM 0 H ALA A 73 -12.334 -0.841 5.409 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.056 -1.573 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.619 -2.158 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.295 -2.712 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.089 -1.250 7.614 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.438 1.359 6.622 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.038 2.614 7.062 1.00 0.00 C ATOM 1136 C ARG A 74 -15.818 3.259 5.923 1.00 0.00 C ATOM 1137 O ARG A 74 -16.656 4.112 6.189 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.923 3.514 7.634 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.247 4.980 7.964 1.00 0.00 C ATOM 1140 CD ARG A 74 -13.997 5.983 6.817 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.257 6.442 6.218 1.00 0.00 N ATOM 1142 CZ ARG A 74 -15.486 7.502 5.438 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -14.501 8.300 5.042 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -16.731 7.756 5.072 1.00 0.00 N ATOM 0 H ARG A 74 -13.430 1.423 6.482 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.766 2.443 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.556 3.044 8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.099 3.511 6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.294 5.046 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.651 5.282 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.440 6.840 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.378 5.515 6.051 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.075 5.869 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.542 8.110 5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.703 9.103 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.489 7.149 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.934 8.559 4.477 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.593 2.857 4.674 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.132 3.571 3.525 1.00 0.00 C ATOM 1160 C GLY A 75 -15.214 4.727 3.135 1.00 0.00 C ATOM 1161 O GLY A 75 -15.683 5.730 2.602 1.00 0.00 O ATOM 0 H GLY A 75 -15.038 2.036 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.243 2.887 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.126 3.951 3.759 1.00 0.00 H new ATOM 1165 N GLY A 76 -13.917 4.644 3.453 1.00 0.00 N ATOM 1166 CA GLY A 76 -12.944 5.686 3.147 1.00 0.00 C ATOM 1167 C GLY A 76 -12.075 5.364 1.934 1.00 0.00 C ATOM 1168 O GLY A 76 -11.308 6.229 1.512 1.00 0.00 O ATOM 0 H GLY A 76 -13.514 3.841 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.470 6.624 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.302 5.840 4.014 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.167 4.153 1.374 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.508 3.800 0.119 1.00 0.00 C ATOM 1174 C LEU A 77 -12.411 4.223 -1.036 1.00 0.00 C ATOM 1175 O LEU A 77 -11.952 4.871 -1.970 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.260 2.283 0.074 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.386 1.810 -1.101 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.933 1.676 -0.637 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.852 0.460 -1.659 1.00 0.00 C ATOM 0 H LEU A 77 -12.704 3.389 1.783 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.548 4.309 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.787 1.978 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.222 1.773 0.023 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.473 2.554 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.315 1.341 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.573 2.642 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.875 0.949 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.206 0.166 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.803 -0.295 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.879 0.548 -2.014 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.693 3.864 -0.969 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.657 3.974 -2.062 1.00 0.00 C ATOM 1193 C ASP A 78 -14.822 5.435 -2.549 1.00 0.00 C ATOM 1194 O ASP A 78 -14.840 5.635 -3.765 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.989 3.303 -1.679 1.00 0.00 C ATOM 1196 CG ASP A 78 -17.256 4.069 -2.065 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -17.668 5.020 -1.368 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -17.897 3.661 -3.063 1.00 0.00 O ATOM 0 H ASP A 78 -14.103 3.474 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.264 3.430 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.026 2.319 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.997 3.145 -0.601 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.925 6.491 -1.708 1.00 0.00 N ATOM 1204 CA PRO A 79 -15.030 7.863 -2.214 1.00 0.00 C ATOM 1205 C PRO A 79 -13.753 8.351 -2.909 1.00 0.00 C ATOM 1206 O PRO A 79 -13.777 9.391 -3.573 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.357 8.736 -1.003 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.724 7.967 0.150 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.984 6.518 -0.251 1.00 0.00 C ATOM 0 HA PRO A 79 -15.803 7.915 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.936 9.737 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.432 8.854 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.659 8.179 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.185 8.214 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.238 5.853 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.957 6.182 0.107 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.636 7.632 -2.780 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.366 7.997 -3.382 1.00 0.00 C ATOM 1219 C LEU A 80 -11.111 7.152 -4.625 1.00 0.00 C ATOM 1220 O LEU A 80 -10.801 7.700 -5.683 1.00 0.00 O ATOM 1221 CB LEU A 80 -10.233 7.826 -2.352 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.346 8.739 -1.114 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.191 8.450 -0.150 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.330 10.226 -1.489 1.00 0.00 C ATOM 0 H LEU A 80 -12.595 6.766 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.398 9.043 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.215 6.788 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.280 8.020 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.302 8.523 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.275 9.097 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.233 7.408 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.242 8.639 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.412 10.830 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.397 10.462 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.170 10.444 -2.148 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.272 5.834 -4.522 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.848 4.843 -5.511 1.00 0.00 C ATOM 1238 C LEU A 81 -11.991 4.060 -6.157 1.00 0.00 C ATOM 1239 O LEU A 81 -11.714 3.154 -6.940 1.00 0.00 O ATOM 1240 CB LEU A 81 -9.866 3.888 -4.813 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.556 4.572 -4.383 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -7.893 3.763 -3.266 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.621 4.739 -5.585 1.00 0.00 C ATOM 0 H LEU A 81 -11.721 5.408 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.381 5.377 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.349 3.459 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.633 3.062 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.778 5.567 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.966 4.251 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.566 3.703 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.674 2.758 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.699 5.224 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.389 3.760 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.109 5.352 -6.343 1.00 0.00 H new