USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot -4:sc= 1.25 USER MOD Set 1.2: A 130 MET CE :methyl -167:sc= -3.48! (180deg=-3.74) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot -29:sc= 0.491 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.643 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 159:sc= 1.69 (180deg=0.627) USER MOD Set 4.1: A 58 GLN : amide:sc= -0.0964 K(o=0.95,f=-9.2!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -178:sc= 1.05 (180deg=-0.216) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -14:sc= 0.394 USER MOD Single : A 17 LYS NZ :NH3+ -115:sc= 0.274 (180deg=-0.578) USER MOD Single : A 20 SER OG : rot 96:sc= 1.22 USER MOD Single : A 21 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= 1.12 (180deg=0.227) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 170:sc= 1.25 USER MOD Single : A 40 ASN : amide:sc= 1.16 K(o=1.2,f=-1.4!) USER MOD Single : A 47 CYS SG : rot 64:sc= 0.596 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 67:sc= 0.951 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.0407 (180deg=-0.262) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.0213 F(o=-2.9!,f=-0.021) USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.923) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0357) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.8!) USER MOD Single : A 85 THR OG1 : rot -60:sc= 0.615 USER MOD Single : A 90 THR OG1 : rot -13:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.66) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.377 F(o=-1.2,f=-0.38) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.123 F(o=-0.96,f=-0.12) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 59:sc= 1.26 USER MOD Single : A 110 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.3!) USER MOD Single : A 112 MET CE :methyl -147:sc= -0.0146 (180deg=-1.18) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 116 SER OG : rot -103:sc= 1.2 USER MOD Single : A 117 TYR OH : rot 5:sc= 0.658 USER MOD Single : A 118 THR OG1 : rot -65:sc= 0.618 USER MOD Single : A 122 LYS NZ :NH3+ -165:sc= -0.0578 (180deg=-0.349) USER MOD Single : A 123 SER OG : rot -64:sc= -0.391! USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.212 6.226 3.233 1.00 0.00 N ATOM 32 CA VAL A 3 141.200 6.170 1.792 1.00 0.00 C ATOM 33 C VAL A 3 141.833 7.423 1.181 1.00 0.00 C ATOM 34 O VAL A 3 141.553 8.542 1.613 1.00 0.00 O ATOM 35 CB VAL A 3 139.724 5.973 1.286 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.779 6.972 1.936 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.622 6.092 -0.215 1.00 0.00 C ATOM 0 HA VAL A 3 141.800 5.320 1.469 1.00 0.00 H new ATOM 0 HB VAL A 3 139.431 4.963 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.767 6.810 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.795 6.838 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.097 7.986 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.586 5.949 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.959 7.081 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.247 5.332 -0.684 1.00 0.00 H new ATOM 47 N SER A 4 142.727 7.229 0.234 1.00 0.00 N ATOM 48 CA SER A 4 143.318 8.318 -0.509 1.00 0.00 C ATOM 49 C SER A 4 142.300 8.804 -1.549 1.00 0.00 C ATOM 50 O SER A 4 141.507 8.005 -2.047 1.00 0.00 O ATOM 51 CB SER A 4 144.606 7.829 -1.190 1.00 0.00 C ATOM 52 OG SER A 4 145.515 7.266 -0.232 1.00 0.00 O ATOM 0 H SER A 4 143.064 6.307 -0.042 1.00 0.00 H new ATOM 0 HA SER A 4 143.574 9.144 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.361 7.083 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.086 8.660 -1.707 1.00 0.00 H new ATOM 0 HG SER A 4 146.326 6.961 -0.690 1.00 0.00 H new ATOM 58 N PRO A 5 142.282 10.114 -1.864 1.00 0.00 N ATOM 59 CA PRO A 5 141.357 10.705 -2.851 1.00 0.00 C ATOM 60 C PRO A 5 141.323 9.958 -4.193 1.00 0.00 C ATOM 61 O PRO A 5 140.301 9.925 -4.855 1.00 0.00 O ATOM 62 CB PRO A 5 141.901 12.117 -3.036 1.00 0.00 C ATOM 63 CG PRO A 5 142.507 12.438 -1.724 1.00 0.00 C ATOM 64 CD PRO A 5 143.118 11.154 -1.234 1.00 0.00 C ATOM 0 HA PRO A 5 140.326 10.662 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.638 12.160 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.109 12.820 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.261 13.219 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 5 141.756 12.806 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.162 11.066 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.092 11.086 -0.146 1.00 0.00 H new ATOM 72 N GLU A 6 142.425 9.326 -4.565 1.00 0.00 N ATOM 73 CA GLU A 6 142.473 8.582 -5.823 1.00 0.00 C ATOM 74 C GLU A 6 141.619 7.294 -5.748 1.00 0.00 C ATOM 75 O GLU A 6 140.915 6.915 -6.705 1.00 0.00 O ATOM 76 CB GLU A 6 143.940 8.359 -6.290 1.00 0.00 C ATOM 77 CG GLU A 6 144.879 7.597 -5.340 1.00 0.00 C ATOM 78 CD GLU A 6 144.762 6.093 -5.449 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.118 5.543 -6.521 1.00 0.00 O ATOM 80 OE2 GLU A 6 144.324 5.439 -4.492 1.00 0.00 O ATOM 0 H GLU A 6 143.290 9.310 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 6 142.012 9.183 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 6 143.913 7.823 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.382 9.335 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.908 7.889 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.665 7.896 -4.314 1.00 0.00 H new ATOM 87 N GLU A 7 141.634 6.685 -4.597 1.00 0.00 N ATOM 88 CA GLU A 7 140.840 5.521 -4.316 1.00 0.00 C ATOM 89 C GLU A 7 139.383 5.962 -4.188 1.00 0.00 C ATOM 90 O GLU A 7 138.490 5.364 -4.777 1.00 0.00 O ATOM 91 CB GLU A 7 141.367 4.884 -3.018 1.00 0.00 C ATOM 92 CG GLU A 7 140.611 3.675 -2.480 1.00 0.00 C ATOM 93 CD GLU A 7 140.601 2.497 -3.401 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.685 2.070 -3.867 1.00 0.00 O ATOM 95 OE2 GLU A 7 139.526 1.923 -3.613 1.00 0.00 O ATOM 0 H GLU A 7 142.209 6.989 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 7 140.904 4.777 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.403 4.589 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.373 5.651 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.056 3.376 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.582 3.968 -2.272 1.00 0.00 H new ATOM 102 N ALA A 8 139.174 7.070 -3.481 1.00 0.00 N ATOM 103 CA ALA A 8 137.844 7.611 -3.265 1.00 0.00 C ATOM 104 C ALA A 8 137.177 8.052 -4.593 1.00 0.00 C ATOM 105 O ALA A 8 136.010 7.745 -4.817 1.00 0.00 O ATOM 106 CB ALA A 8 137.854 8.726 -2.193 1.00 0.00 C ATOM 0 H ALA A 8 139.920 7.612 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 8 137.220 6.809 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 8 136.843 9.109 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.219 8.320 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.508 9.536 -2.517 1.00 0.00 H new ATOM 112 N VAL A 9 137.927 8.731 -5.498 1.00 0.00 N ATOM 113 CA VAL A 9 137.359 9.125 -6.816 1.00 0.00 C ATOM 114 C VAL A 9 136.980 7.905 -7.620 1.00 0.00 C ATOM 115 O VAL A 9 136.013 7.927 -8.369 1.00 0.00 O ATOM 116 CB VAL A 9 138.280 10.037 -7.709 1.00 0.00 C ATOM 117 CG1 VAL A 9 138.538 11.387 -7.096 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.585 9.361 -8.072 1.00 0.00 C ATOM 0 H VAL A 9 138.896 9.011 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 9 136.488 9.726 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 9 137.719 10.198 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.179 11.970 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 9 137.592 11.909 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.031 11.261 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.183 10.032 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.134 9.117 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.379 8.446 -8.627 1.00 0.00 H new ATOM 128 N LYS A 10 137.738 6.833 -7.442 1.00 0.00 N ATOM 129 CA LYS A 10 137.470 5.605 -8.141 1.00 0.00 C ATOM 130 C LYS A 10 136.147 4.997 -7.634 1.00 0.00 C ATOM 131 O LYS A 10 135.418 4.342 -8.383 1.00 0.00 O ATOM 132 CB LYS A 10 138.639 4.649 -7.953 1.00 0.00 C ATOM 133 CG LYS A 10 139.081 3.939 -9.225 1.00 0.00 C ATOM 134 CD LYS A 10 139.573 4.932 -10.279 1.00 0.00 C ATOM 135 CE LYS A 10 140.734 5.783 -9.759 1.00 0.00 C ATOM 136 NZ LYS A 10 141.209 6.753 -10.762 1.00 0.00 N ATOM 0 H LYS A 10 138.543 6.798 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 10 137.360 5.797 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.485 5.204 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.364 3.900 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 10 139.877 3.232 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 10 138.249 3.361 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.890 4.390 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 10 138.751 5.582 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 10 140.418 6.316 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.558 5.131 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 141.995 7.306 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 141.536 6.245 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 140.431 7.393 -11.021 1.00 0.00 H new ATOM 150 N TRP A 11 135.833 5.250 -6.366 1.00 0.00 N ATOM 151 CA TRP A 11 134.553 4.843 -5.779 1.00 0.00 C ATOM 152 C TRP A 11 133.451 5.672 -6.384 1.00 0.00 C ATOM 153 O TRP A 11 132.378 5.186 -6.651 1.00 0.00 O ATOM 154 CB TRP A 11 134.508 5.109 -4.278 1.00 0.00 C ATOM 155 CG TRP A 11 135.495 4.387 -3.442 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.353 3.404 -3.819 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.689 4.588 -2.051 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.097 3.001 -2.749 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.694 3.707 -1.640 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.102 5.445 -1.111 1.00 0.00 C ATOM 161 CZ2 TRP A 11 137.127 3.648 -0.325 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.533 5.379 0.202 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.533 4.484 0.580 1.00 0.00 C ATOM 0 H TRP A 11 136.451 5.739 -5.718 1.00 0.00 H new ATOM 0 HA TRP A 11 134.434 3.777 -5.973 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.645 6.178 -4.118 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.510 4.858 -3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.434 3.001 -4.818 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.831 2.293 -2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.331 6.141 -1.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.908 2.965 -0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 135.090 6.028 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.846 4.450 1.613 1.00 0.00 H new ATOM 174 N GLY A 12 133.773 6.937 -6.629 1.00 0.00 N ATOM 175 CA GLY A 12 132.825 7.916 -7.134 1.00 0.00 C ATOM 176 C GLY A 12 132.373 7.642 -8.546 1.00 0.00 C ATOM 177 O GLY A 12 131.423 8.259 -9.034 1.00 0.00 O ATOM 0 H GLY A 12 134.709 7.313 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 12 131.954 7.937 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.280 8.906 -7.092 1.00 0.00 H new ATOM 181 N GLU A 13 133.032 6.733 -9.200 1.00 0.00 N ATOM 182 CA GLU A 13 132.653 6.347 -10.525 1.00 0.00 C ATOM 183 C GLU A 13 132.230 4.882 -10.581 1.00 0.00 C ATOM 184 O GLU A 13 131.987 4.341 -11.667 1.00 0.00 O ATOM 185 CB GLU A 13 133.758 6.667 -11.523 1.00 0.00 C ATOM 186 CG GLU A 13 135.127 6.131 -11.153 1.00 0.00 C ATOM 187 CD GLU A 13 136.166 6.538 -12.150 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.505 7.736 -12.226 1.00 0.00 O ATOM 189 OE2 GLU A 13 136.631 5.695 -12.919 1.00 0.00 O ATOM 0 H GLU A 13 133.845 6.240 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 13 131.781 6.935 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 13 133.477 6.264 -12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 13 133.825 7.749 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.407 6.497 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.088 5.043 -11.091 1.00 0.00 H new ATOM 196 N SER A 14 132.095 4.256 -9.413 1.00 0.00 N ATOM 197 CA SER A 14 131.676 2.873 -9.324 1.00 0.00 C ATOM 198 C SER A 14 131.261 2.475 -7.899 1.00 0.00 C ATOM 199 O SER A 14 132.106 2.146 -7.047 1.00 0.00 O ATOM 200 CB SER A 14 132.728 1.911 -9.928 1.00 0.00 C ATOM 201 OG SER A 14 134.048 2.179 -9.456 1.00 0.00 O ATOM 0 H SER A 14 132.274 4.697 -8.511 1.00 0.00 H new ATOM 0 HA SER A 14 130.778 2.777 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 14 132.459 0.884 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 14 132.710 1.994 -11.015 1.00 0.00 H new ATOM 0 HG SER A 14 134.068 3.058 -9.023 1.00 0.00 H new ATOM 207 N PHE A 15 129.954 2.524 -7.650 1.00 0.00 N ATOM 208 CA PHE A 15 129.350 2.155 -6.370 1.00 0.00 C ATOM 209 C PHE A 15 129.746 0.740 -5.945 1.00 0.00 C ATOM 210 O PHE A 15 129.958 0.487 -4.774 1.00 0.00 O ATOM 211 CB PHE A 15 127.819 2.299 -6.458 1.00 0.00 C ATOM 212 CG PHE A 15 127.054 1.923 -5.212 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.264 2.583 -4.024 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.106 0.924 -5.249 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.549 2.252 -2.899 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.387 0.587 -4.125 1.00 0.00 C ATOM 217 CZ PHE A 15 125.609 1.252 -2.950 1.00 0.00 C ATOM 0 H PHE A 15 129.272 2.827 -8.345 1.00 0.00 H new ATOM 0 HA PHE A 15 129.727 2.833 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.583 3.333 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.461 1.682 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.000 3.372 -3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.924 0.397 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.726 2.779 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.649 -0.200 -4.170 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.047 0.991 -2.065 1.00 0.00 H new ATOM 227 N ASP A 16 129.880 -0.163 -6.907 1.00 0.00 N ATOM 228 CA ASP A 16 130.281 -1.552 -6.621 1.00 0.00 C ATOM 229 C ASP A 16 131.672 -1.596 -6.007 1.00 0.00 C ATOM 230 O ASP A 16 131.920 -2.331 -5.050 1.00 0.00 O ATOM 231 CB ASP A 16 130.226 -2.417 -7.887 1.00 0.00 C ATOM 232 CG ASP A 16 130.757 -3.822 -7.665 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.019 -4.685 -7.120 1.00 0.00 O ATOM 234 OD2 ASP A 16 131.923 -4.080 -8.023 1.00 0.00 O ATOM 0 H ASP A 16 129.719 0.032 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 16 129.572 -1.961 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.195 -2.474 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.804 -1.936 -8.676 1.00 0.00 H new ATOM 239 N LYS A 17 132.558 -0.761 -6.522 1.00 0.00 N ATOM 240 CA LYS A 17 133.908 -0.673 -6.015 1.00 0.00 C ATOM 241 C LYS A 17 133.904 -0.100 -4.608 1.00 0.00 C ATOM 242 O LYS A 17 134.581 -0.620 -3.707 1.00 0.00 O ATOM 243 CB LYS A 17 134.787 0.170 -6.936 1.00 0.00 C ATOM 244 CG LYS A 17 136.089 0.545 -6.296 1.00 0.00 C ATOM 245 CD LYS A 17 137.052 1.191 -7.238 1.00 0.00 C ATOM 246 CE LYS A 17 138.289 1.610 -6.477 1.00 0.00 C ATOM 247 NZ LYS A 17 138.907 0.495 -5.723 1.00 0.00 N ATOM 0 H LYS A 17 132.359 -0.130 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 17 134.327 -1.679 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 17 134.983 -0.384 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.250 1.075 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 17 135.894 1.224 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 17 136.549 -0.349 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.319 0.498 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 17 136.590 2.058 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 17 139.019 2.018 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.030 2.411 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.845 0.689 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.405 -0.390 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.906 0.402 -5.998 1.00 0.00 H new ATOM 261 N LEU A 18 133.131 0.950 -4.438 1.00 0.00 N ATOM 262 CA LEU A 18 132.932 1.613 -3.160 1.00 0.00 C ATOM 263 C LEU A 18 132.475 0.612 -2.118 1.00 0.00 C ATOM 264 O LEU A 18 133.090 0.441 -1.068 1.00 0.00 O ATOM 265 CB LEU A 18 131.837 2.676 -3.357 1.00 0.00 C ATOM 266 CG LEU A 18 131.143 3.227 -2.108 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.095 3.993 -1.234 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.992 4.098 -2.514 1.00 0.00 C ATOM 0 H LEU A 18 132.609 1.380 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 18 133.863 2.066 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.279 3.516 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.071 2.251 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 18 130.774 2.383 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.564 4.367 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.904 3.336 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.508 4.832 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.500 4.489 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.359 4.927 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.280 3.512 -3.095 1.00 0.00 H new ATOM 280 N LEU A 19 131.454 -0.089 -2.483 1.00 0.00 N ATOM 281 CA LEU A 19 130.742 -0.988 -1.632 1.00 0.00 C ATOM 282 C LEU A 19 131.545 -2.263 -1.327 1.00 0.00 C ATOM 283 O LEU A 19 131.287 -2.941 -0.338 1.00 0.00 O ATOM 284 CB LEU A 19 129.456 -1.318 -2.350 1.00 0.00 C ATOM 285 CG LEU A 19 128.293 -1.771 -1.528 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.955 -0.702 -0.482 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.128 -1.988 -2.467 1.00 0.00 C ATOM 0 H LEU A 19 131.074 -0.050 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 19 130.555 -0.524 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.147 -0.433 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.672 -2.096 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 19 128.523 -2.696 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.107 -1.034 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.816 -0.542 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.701 0.231 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.259 -2.320 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.892 -1.054 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.391 -2.747 -3.204 1.00 0.00 H new ATOM 299 N SER A 20 132.497 -2.588 -2.175 1.00 0.00 N ATOM 300 CA SER A 20 133.320 -3.764 -1.965 1.00 0.00 C ATOM 301 C SER A 20 134.611 -3.413 -1.226 1.00 0.00 C ATOM 302 O SER A 20 135.384 -4.295 -0.842 1.00 0.00 O ATOM 303 CB SER A 20 133.617 -4.444 -3.296 1.00 0.00 C ATOM 304 OG SER A 20 132.401 -4.753 -3.962 1.00 0.00 O ATOM 0 H SER A 20 132.722 -2.056 -3.016 1.00 0.00 H new ATOM 0 HA SER A 20 132.766 -4.462 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.228 -3.791 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.192 -5.355 -3.129 1.00 0.00 H new ATOM 0 HG SER A 20 132.187 -4.040 -4.600 1.00 0.00 H new ATOM 310 N HIS A 21 134.829 -2.141 -1.007 1.00 0.00 N ATOM 311 CA HIS A 21 135.996 -1.690 -0.297 1.00 0.00 C ATOM 312 C HIS A 21 135.535 -1.562 1.126 1.00 0.00 C ATOM 313 O HIS A 21 134.540 -0.909 1.357 1.00 0.00 O ATOM 314 CB HIS A 21 136.430 -0.305 -0.827 1.00 0.00 C ATOM 315 CG HIS A 21 137.881 0.043 -0.612 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.348 0.838 0.416 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.961 -0.261 -1.357 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.655 0.998 0.281 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.041 0.338 -0.781 1.00 0.00 N ATOM 0 H HIS A 21 134.206 -1.394 -1.314 1.00 0.00 H new ATOM 0 HA HIS A 21 136.844 -2.366 -0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.217 -0.260 -1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.816 0.458 -0.348 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.970 -0.869 -2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.293 1.574 0.935 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.000 0.281 -1.124 1.00 0.00 H new ATOM 328 N ARG A 22 136.223 -2.167 2.062 1.00 0.00 N ATOM 329 CA ARG A 22 135.797 -2.158 3.476 1.00 0.00 C ATOM 330 C ARG A 22 135.659 -0.701 3.974 1.00 0.00 C ATOM 331 O ARG A 22 134.704 -0.347 4.659 1.00 0.00 O ATOM 332 CB ARG A 22 136.799 -3.007 4.325 1.00 0.00 C ATOM 333 CG ARG A 22 136.372 -3.326 5.767 1.00 0.00 C ATOM 334 CD ARG A 22 136.503 -2.137 6.700 1.00 0.00 C ATOM 335 NE ARG A 22 135.898 -2.386 8.005 1.00 0.00 N ATOM 336 CZ ARG A 22 135.453 -1.425 8.819 1.00 0.00 C ATOM 337 NH1 ARG A 22 135.825 -0.169 8.617 1.00 0.00 N ATOM 338 NH2 ARG A 22 134.701 -1.734 9.876 1.00 0.00 N ATOM 0 H ARG A 22 137.088 -2.680 1.888 1.00 0.00 H new ATOM 0 HA ARG A 22 134.815 -2.618 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.976 -3.948 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 22 137.751 -2.478 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.337 -3.668 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 136.979 -4.148 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.558 -1.896 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 22 136.031 -1.267 6.244 1.00 0.00 H new ATOM 0 HE ARG A 22 135.810 -3.354 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 22 136.448 0.060 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 22 135.488 0.569 9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 22 134.463 -2.708 10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 22 134.363 -0.997 10.495 1.00 0.00 H new ATOM 352 N ASP A 23 136.586 0.139 3.558 1.00 0.00 N ATOM 353 CA ASP A 23 136.553 1.576 3.897 1.00 0.00 C ATOM 354 C ASP A 23 135.411 2.300 3.204 1.00 0.00 C ATOM 355 O ASP A 23 134.945 3.330 3.676 1.00 0.00 O ATOM 356 CB ASP A 23 137.870 2.275 3.539 1.00 0.00 C ATOM 357 CG ASP A 23 139.020 1.804 4.367 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.181 2.286 5.488 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.762 0.909 3.911 1.00 0.00 O ATOM 0 H ASP A 23 137.381 -0.136 2.981 1.00 0.00 H new ATOM 0 HA ASP A 23 136.401 1.624 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 138.092 2.103 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.752 3.351 3.669 1.00 0.00 H new ATOM 364 N GLY A 24 134.947 1.751 2.104 1.00 0.00 N ATOM 365 CA GLY A 24 133.903 2.395 1.341 1.00 0.00 C ATOM 366 C GLY A 24 132.564 1.933 1.785 1.00 0.00 C ATOM 367 O GLY A 24 131.626 2.711 1.850 1.00 0.00 O ATOM 0 H GLY A 24 135.274 0.865 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.976 3.476 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 24 134.034 2.178 0.281 1.00 0.00 H new ATOM 371 N LEU A 25 132.482 0.658 2.087 1.00 0.00 N ATOM 372 CA LEU A 25 131.320 0.064 2.687 1.00 0.00 C ATOM 373 C LEU A 25 130.991 0.808 3.960 1.00 0.00 C ATOM 374 O LEU A 25 129.838 1.133 4.226 1.00 0.00 O ATOM 375 CB LEU A 25 131.570 -1.451 2.910 1.00 0.00 C ATOM 376 CG LEU A 25 130.976 -2.120 4.164 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.703 -3.579 3.870 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.983 -2.038 5.328 1.00 0.00 C ATOM 0 H LEU A 25 133.239 -0.005 1.917 1.00 0.00 H new ATOM 0 HA LEU A 25 130.453 0.145 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 131.186 -1.982 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.648 -1.609 2.930 1.00 0.00 H new ATOM 0 HG LEU A 25 130.053 -1.608 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 25 130.282 -4.056 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.995 -3.658 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.634 -4.076 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.557 -2.513 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.904 -2.550 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 25 132.201 -0.993 5.547 1.00 0.00 H new ATOM 390 N GLU A 26 132.031 1.130 4.702 1.00 0.00 N ATOM 391 CA GLU A 26 131.901 1.891 5.894 1.00 0.00 C ATOM 392 C GLU A 26 131.508 3.333 5.576 1.00 0.00 C ATOM 393 O GLU A 26 130.627 3.885 6.232 1.00 0.00 O ATOM 394 CB GLU A 26 133.179 1.837 6.704 1.00 0.00 C ATOM 395 CG GLU A 26 133.102 2.657 7.982 1.00 0.00 C ATOM 396 CD GLU A 26 134.383 2.693 8.750 1.00 0.00 C ATOM 397 OE1 GLU A 26 135.241 3.522 8.454 1.00 0.00 O ATOM 398 OE2 GLU A 26 134.554 1.884 9.679 1.00 0.00 O ATOM 0 H GLU A 26 132.990 0.862 4.480 1.00 0.00 H new ATOM 0 HA GLU A 26 131.104 1.454 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.400 0.800 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 26 134.006 2.200 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 26 132.810 3.677 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.318 2.248 8.619 1.00 0.00 H new ATOM 405 N ALA A 27 132.121 3.928 4.541 1.00 0.00 N ATOM 406 CA ALA A 27 131.802 5.311 4.175 1.00 0.00 C ATOM 407 C ALA A 27 130.323 5.417 3.814 1.00 0.00 C ATOM 408 O ALA A 27 129.584 6.285 4.323 1.00 0.00 O ATOM 409 CB ALA A 27 132.668 5.784 2.996 1.00 0.00 C ATOM 0 H ALA A 27 132.826 3.482 3.955 1.00 0.00 H new ATOM 0 HA ALA A 27 132.015 5.953 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.411 6.813 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.721 5.731 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.487 5.144 2.132 1.00 0.00 H new ATOM 415 N PHE A 28 129.883 4.486 3.004 1.00 0.00 N ATOM 416 CA PHE A 28 128.541 4.479 2.520 1.00 0.00 C ATOM 417 C PHE A 28 127.560 4.115 3.622 1.00 0.00 C ATOM 418 O PHE A 28 126.522 4.737 3.731 1.00 0.00 O ATOM 419 CB PHE A 28 128.388 3.555 1.307 1.00 0.00 C ATOM 420 CG PHE A 28 127.041 3.663 0.651 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.728 4.770 -0.120 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.087 2.678 0.819 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.491 4.891 -0.713 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.847 2.795 0.228 1.00 0.00 C ATOM 425 CZ PHE A 28 124.549 3.905 -0.540 1.00 0.00 C ATOM 0 H PHE A 28 130.455 3.712 2.665 1.00 0.00 H new ATOM 0 HA PHE A 28 128.305 5.491 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.161 3.793 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.552 2.524 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.464 5.549 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.315 1.809 1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.261 5.759 -1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.108 2.019 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.578 3.997 -1.003 1.00 0.00 H new ATOM 435 N THR A 29 127.903 3.141 4.469 1.00 0.00 N ATOM 436 CA THR A 29 126.997 2.740 5.531 1.00 0.00 C ATOM 437 C THR A 29 126.793 3.889 6.535 1.00 0.00 C ATOM 438 O THR A 29 125.711 4.031 7.079 1.00 0.00 O ATOM 439 CB THR A 29 127.414 1.398 6.257 1.00 0.00 C ATOM 440 OG1 THR A 29 126.320 0.876 7.036 1.00 0.00 O ATOM 441 CG2 THR A 29 128.602 1.590 7.188 1.00 0.00 C ATOM 0 H THR A 29 128.784 2.629 4.437 1.00 0.00 H new ATOM 0 HA THR A 29 126.043 2.520 5.051 1.00 0.00 H new ATOM 0 HB THR A 29 127.690 0.700 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.598 0.046 7.476 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.850 0.640 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.459 1.944 6.616 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.349 2.323 7.954 1.00 0.00 H new ATOM 449 N ARG A 30 127.821 4.736 6.731 1.00 0.00 N ATOM 450 CA ARG A 30 127.693 5.894 7.621 1.00 0.00 C ATOM 451 C ARG A 30 126.683 6.874 7.058 1.00 0.00 C ATOM 452 O ARG A 30 125.854 7.417 7.797 1.00 0.00 O ATOM 453 CB ARG A 30 129.029 6.611 7.845 1.00 0.00 C ATOM 454 CG ARG A 30 130.093 5.805 8.568 1.00 0.00 C ATOM 455 CD ARG A 30 131.322 6.660 8.808 1.00 0.00 C ATOM 456 NE ARG A 30 132.385 5.963 9.542 1.00 0.00 N ATOM 457 CZ ARG A 30 133.582 6.519 9.850 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.837 7.796 9.531 1.00 0.00 N ATOM 459 NH2 ARG A 30 134.503 5.810 10.493 1.00 0.00 N ATOM 0 H ARG A 30 128.735 4.639 6.290 1.00 0.00 H new ATOM 0 HA ARG A 30 127.354 5.518 8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.425 6.915 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.841 7.522 8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.702 5.442 9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.360 4.929 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.714 6.996 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 30 131.032 7.552 9.364 1.00 0.00 H new ATOM 0 HE ARG A 30 132.212 5.002 9.838 1.00 0.00 H new ATOM 0 HH11 ARG A 30 133.129 8.354 9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.739 8.210 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 30 134.311 4.844 10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 30 135.403 6.232 10.723 1.00 0.00 H new ATOM 473 N PHE A 31 126.739 7.089 5.758 1.00 0.00 N ATOM 474 CA PHE A 31 125.786 7.970 5.117 1.00 0.00 C ATOM 475 C PHE A 31 124.407 7.300 5.034 1.00 0.00 C ATOM 476 O PHE A 31 123.373 7.944 5.178 1.00 0.00 O ATOM 477 CB PHE A 31 126.266 8.402 3.726 1.00 0.00 C ATOM 478 CG PHE A 31 125.310 9.343 3.060 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.253 10.668 3.445 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.440 8.894 2.082 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.355 11.531 2.865 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.536 9.752 1.506 1.00 0.00 C ATOM 483 CZ PHE A 31 123.495 11.072 1.899 1.00 0.00 C ATOM 0 H PHE A 31 127.427 6.670 5.132 1.00 0.00 H new ATOM 0 HA PHE A 31 125.700 8.869 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.241 8.881 3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.399 7.520 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.922 11.030 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.472 7.861 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.326 12.567 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.858 9.393 0.746 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.784 11.747 1.446 1.00 0.00 H new ATOM 493 N LEU A 32 124.404 6.012 4.833 1.00 0.00 N ATOM 494 CA LEU A 32 123.181 5.249 4.743 1.00 0.00 C ATOM 495 C LEU A 32 122.423 5.340 6.085 1.00 0.00 C ATOM 496 O LEU A 32 121.191 5.349 6.122 1.00 0.00 O ATOM 497 CB LEU A 32 123.524 3.803 4.404 1.00 0.00 C ATOM 498 CG LEU A 32 122.480 3.009 3.646 1.00 0.00 C ATOM 499 CD1 LEU A 32 122.144 3.697 2.331 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.987 1.610 3.383 1.00 0.00 C ATOM 0 H LEU A 32 125.252 5.455 4.726 1.00 0.00 H new ATOM 0 HA LEU A 32 122.538 5.649 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.443 3.801 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.739 3.278 5.335 1.00 0.00 H new ATOM 0 HG LEU A 32 121.575 2.952 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.393 3.115 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.755 4.695 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.044 3.774 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 122.231 1.045 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.900 1.659 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 32 123.196 1.115 4.331 1.00 0.00 H new ATOM 512 N LYS A 33 123.194 5.440 7.174 1.00 0.00 N ATOM 513 CA LYS A 33 122.663 5.626 8.526 1.00 0.00 C ATOM 514 C LYS A 33 121.890 6.933 8.661 1.00 0.00 C ATOM 515 O LYS A 33 120.785 6.949 9.202 1.00 0.00 O ATOM 516 CB LYS A 33 123.789 5.636 9.575 1.00 0.00 C ATOM 517 CG LYS A 33 124.456 4.316 9.846 1.00 0.00 C ATOM 518 CD LYS A 33 125.515 4.478 10.918 1.00 0.00 C ATOM 519 CE LYS A 33 126.204 3.169 11.247 1.00 0.00 C ATOM 520 NZ LYS A 33 125.255 2.139 11.722 1.00 0.00 N ATOM 0 H LYS A 33 124.212 5.393 7.140 1.00 0.00 H new ATOM 0 HA LYS A 33 121.992 4.785 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.551 6.345 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.380 6.012 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.714 3.584 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.909 3.934 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.257 5.204 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.057 4.882 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.723 2.801 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.962 3.342 12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.726 1.529 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.434 2.600 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 124.937 1.562 10.917 1.00 0.00 H new ATOM 534 N THR A 34 122.455 8.016 8.152 1.00 0.00 N ATOM 535 CA THR A 34 121.875 9.336 8.353 1.00 0.00 C ATOM 536 C THR A 34 120.564 9.534 7.560 1.00 0.00 C ATOM 537 O THR A 34 119.698 10.322 7.963 1.00 0.00 O ATOM 538 CB THR A 34 122.910 10.493 8.107 1.00 0.00 C ATOM 539 OG1 THR A 34 122.332 11.766 8.399 1.00 0.00 O ATOM 540 CG2 THR A 34 123.423 10.504 6.685 1.00 0.00 C ATOM 0 H THR A 34 123.312 8.009 7.598 1.00 0.00 H new ATOM 0 HA THR A 34 121.603 9.391 9.407 1.00 0.00 H new ATOM 0 HB THR A 34 123.748 10.305 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 34 122.995 12.470 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.135 11.320 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.916 9.556 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.588 10.644 5.998 1.00 0.00 H new ATOM 548 N GLU A 35 120.398 8.812 6.455 1.00 0.00 N ATOM 549 CA GLU A 35 119.142 8.884 5.724 1.00 0.00 C ATOM 550 C GLU A 35 118.238 7.692 6.057 1.00 0.00 C ATOM 551 O GLU A 35 117.177 7.507 5.452 1.00 0.00 O ATOM 552 CB GLU A 35 119.332 9.043 4.208 1.00 0.00 C ATOM 553 CG GLU A 35 120.149 7.965 3.527 1.00 0.00 C ATOM 554 CD GLU A 35 119.946 7.993 2.030 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.428 8.917 1.352 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.263 7.096 1.502 1.00 0.00 O ATOM 0 H GLU A 35 121.098 8.187 6.056 1.00 0.00 H new ATOM 0 HA GLU A 35 118.643 9.793 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.348 9.077 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.808 10.006 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.205 8.105 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.865 6.988 3.917 1.00 0.00 H new ATOM 563 N PHE A 36 118.675 6.898 7.049 1.00 0.00 N ATOM 564 CA PHE A 36 117.927 5.745 7.576 1.00 0.00 C ATOM 565 C PHE A 36 117.621 4.709 6.491 1.00 0.00 C ATOM 566 O PHE A 36 116.567 4.065 6.498 1.00 0.00 O ATOM 567 CB PHE A 36 116.637 6.211 8.282 1.00 0.00 C ATOM 568 CG PHE A 36 116.891 7.121 9.457 1.00 0.00 C ATOM 569 CD1 PHE A 36 117.210 6.597 10.698 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.817 8.498 9.315 1.00 0.00 C ATOM 571 CE1 PHE A 36 117.448 7.427 11.776 1.00 0.00 C ATOM 572 CE2 PHE A 36 117.053 9.333 10.388 1.00 0.00 C ATOM 573 CZ PHE A 36 117.370 8.797 11.620 1.00 0.00 C ATOM 0 H PHE A 36 119.571 7.042 7.514 1.00 0.00 H new ATOM 0 HA PHE A 36 118.564 5.252 8.311 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.004 6.729 7.561 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.082 5.337 8.623 1.00 0.00 H new ATOM 0 HD1 PHE A 36 117.274 5.526 10.825 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.572 8.923 8.353 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.695 7.005 12.739 1.00 0.00 H new ATOM 0 HE2 PHE A 36 116.990 10.404 10.264 1.00 0.00 H new ATOM 0 HZ PHE A 36 117.557 9.448 12.461 1.00 0.00 H new ATOM 583 N SER A 37 118.572 4.504 5.614 1.00 0.00 N ATOM 584 CA SER A 37 118.433 3.552 4.530 1.00 0.00 C ATOM 585 C SER A 37 119.400 2.383 4.733 1.00 0.00 C ATOM 586 O SER A 37 119.666 1.603 3.809 1.00 0.00 O ATOM 587 CB SER A 37 118.728 4.245 3.201 1.00 0.00 C ATOM 588 OG SER A 37 117.901 5.385 3.018 1.00 0.00 O ATOM 0 H SER A 37 119.468 4.991 5.628 1.00 0.00 H new ATOM 0 HA SER A 37 117.413 3.168 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.776 4.544 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 37 118.572 3.544 2.381 1.00 0.00 H new ATOM 0 HG SER A 37 118.216 5.897 2.244 1.00 0.00 H new ATOM 594 N GLU A 38 119.876 2.236 5.958 1.00 0.00 N ATOM 595 CA GLU A 38 120.876 1.242 6.311 1.00 0.00 C ATOM 596 C GLU A 38 120.352 -0.203 6.138 1.00 0.00 C ATOM 597 O GLU A 38 121.132 -1.132 5.865 1.00 0.00 O ATOM 598 CB GLU A 38 121.395 1.508 7.730 1.00 0.00 C ATOM 599 CG GLU A 38 122.408 0.502 8.225 1.00 0.00 C ATOM 600 CD GLU A 38 123.057 0.908 9.513 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.370 1.056 10.543 1.00 0.00 O ATOM 602 OE2 GLU A 38 124.282 1.047 9.537 1.00 0.00 O ATOM 0 H GLU A 38 119.575 2.811 6.745 1.00 0.00 H new ATOM 0 HA GLU A 38 121.712 1.335 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.844 2.501 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 38 120.549 1.520 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 38 121.918 -0.462 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 38 123.177 0.365 7.465 1.00 0.00 H new ATOM 609 N GLU A 39 119.034 -0.377 6.222 1.00 0.00 N ATOM 610 CA GLU A 39 118.419 -1.693 6.042 1.00 0.00 C ATOM 611 C GLU A 39 118.662 -2.302 4.654 1.00 0.00 C ATOM 612 O GLU A 39 118.609 -3.508 4.493 1.00 0.00 O ATOM 613 CB GLU A 39 116.934 -1.762 6.496 1.00 0.00 C ATOM 614 CG GLU A 39 116.106 -0.472 6.382 1.00 0.00 C ATOM 615 CD GLU A 39 115.950 0.085 4.991 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.984 -0.283 4.296 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.739 0.946 4.603 1.00 0.00 O ATOM 0 H GLU A 39 118.372 0.375 6.413 1.00 0.00 H new ATOM 0 HA GLU A 39 118.953 -2.342 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.437 -2.536 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.913 -2.086 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 115.113 -0.662 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.568 0.291 7.009 1.00 0.00 H new ATOM 624 N ASN A 40 118.961 -1.458 3.679 1.00 0.00 N ATOM 625 CA ASN A 40 119.340 -1.921 2.330 1.00 0.00 C ATOM 626 C ASN A 40 120.675 -2.688 2.406 1.00 0.00 C ATOM 627 O ASN A 40 120.830 -3.853 1.907 1.00 0.00 O ATOM 628 CB ASN A 40 119.504 -0.719 1.367 1.00 0.00 C ATOM 629 CG ASN A 40 118.207 -0.006 1.007 1.00 0.00 C ATOM 630 OD1 ASN A 40 117.559 -0.320 0.000 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.821 0.953 1.800 1.00 0.00 N ATOM 0 H ASN A 40 118.952 -0.444 3.786 1.00 0.00 H new ATOM 0 HA ASN A 40 118.552 -2.573 1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 40 120.184 0.002 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.976 -1.069 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.964 1.468 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.376 1.189 2.623 1.00 0.00 H new ATOM 638 N ILE A 41 121.631 -2.073 3.074 1.00 0.00 N ATOM 639 CA ILE A 41 122.931 -2.661 3.219 1.00 0.00 C ATOM 640 C ILE A 41 122.843 -3.910 4.086 1.00 0.00 C ATOM 641 O ILE A 41 123.395 -4.944 3.739 1.00 0.00 O ATOM 642 CB ILE A 41 124.011 -1.622 3.710 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.115 -1.488 2.639 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.596 -1.940 5.095 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.218 -0.494 2.959 1.00 0.00 C ATOM 0 H ILE A 41 121.523 -1.164 3.523 1.00 0.00 H new ATOM 0 HA ILE A 41 123.283 -2.975 2.236 1.00 0.00 H new ATOM 0 HB ILE A 41 123.506 -0.665 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.567 -2.468 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 41 124.650 -1.198 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.331 -1.181 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.796 -1.947 5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.077 -2.918 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 41 126.941 -0.477 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.788 0.500 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.718 -0.790 3.881 1.00 0.00 H new ATOM 657 N GLU A 42 122.057 -3.844 5.159 1.00 0.00 N ATOM 658 CA GLU A 42 121.882 -4.989 6.021 1.00 0.00 C ATOM 659 C GLU A 42 120.984 -6.059 5.426 1.00 0.00 C ATOM 660 O GLU A 42 120.896 -7.167 5.958 1.00 0.00 O ATOM 661 CB GLU A 42 121.534 -4.611 7.449 1.00 0.00 C ATOM 662 CG GLU A 42 122.747 -4.067 8.189 1.00 0.00 C ATOM 663 CD GLU A 42 122.474 -3.717 9.623 1.00 0.00 C ATOM 664 OE1 GLU A 42 122.529 -4.618 10.490 1.00 0.00 O ATOM 665 OE2 GLU A 42 122.241 -2.542 9.938 1.00 0.00 O ATOM 0 H GLU A 42 121.539 -3.012 5.443 1.00 0.00 H new ATOM 0 HA GLU A 42 122.862 -5.462 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 120.741 -3.863 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.146 -5.484 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 123.546 -4.807 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.110 -3.179 7.671 1.00 0.00 H new ATOM 672 N PHE A 43 120.338 -5.730 4.317 1.00 0.00 N ATOM 673 CA PHE A 43 119.604 -6.696 3.529 1.00 0.00 C ATOM 674 C PHE A 43 120.586 -7.666 2.940 1.00 0.00 C ATOM 675 O PHE A 43 120.540 -8.872 3.220 1.00 0.00 O ATOM 676 CB PHE A 43 118.814 -6.011 2.392 1.00 0.00 C ATOM 677 CG PHE A 43 118.215 -6.958 1.375 1.00 0.00 C ATOM 678 CD1 PHE A 43 118.937 -7.357 0.252 1.00 0.00 C ATOM 679 CD2 PHE A 43 116.953 -7.432 1.537 1.00 0.00 C ATOM 680 CE1 PHE A 43 118.389 -8.216 -0.670 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.395 -8.284 0.620 1.00 0.00 C ATOM 682 CZ PHE A 43 117.112 -8.680 -0.484 1.00 0.00 C ATOM 0 H PHE A 43 120.311 -4.782 3.941 1.00 0.00 H new ATOM 0 HA PHE A 43 118.888 -7.208 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.012 -5.418 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.477 -5.317 1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 43 119.941 -6.986 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.380 -7.133 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.959 -8.523 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.388 -8.646 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.671 -9.355 -1.203 1.00 0.00 H new ATOM 692 N TRP A 44 121.508 -7.168 2.128 1.00 0.00 N ATOM 693 CA TRP A 44 122.440 -8.113 1.549 1.00 0.00 C ATOM 694 C TRP A 44 123.579 -8.491 2.462 1.00 0.00 C ATOM 695 O TRP A 44 124.252 -9.478 2.234 1.00 0.00 O ATOM 696 CB TRP A 44 122.848 -7.868 0.094 1.00 0.00 C ATOM 697 CG TRP A 44 123.366 -6.521 -0.249 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.800 -5.654 -1.126 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.550 -5.889 0.244 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.559 -4.536 -1.229 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.635 -4.647 -0.379 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.546 -6.252 1.157 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.668 -3.768 -0.123 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.570 -5.376 1.407 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.623 -4.146 0.772 1.00 0.00 C ATOM 0 H TRP A 44 121.626 -6.188 1.871 1.00 0.00 H new ATOM 0 HA TRP A 44 121.833 -9.014 1.461 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.611 -8.600 -0.170 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.982 -8.067 -0.537 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.880 -5.829 -1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.364 -3.741 -1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.509 -7.208 1.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.718 -2.809 -0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.345 -5.648 2.108 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.438 -3.473 0.991 1.00 0.00 H new ATOM 716 N ILE A 45 123.779 -7.715 3.503 1.00 0.00 N ATOM 717 CA ILE A 45 124.705 -8.071 4.559 1.00 0.00 C ATOM 718 C ILE A 45 124.150 -9.274 5.339 1.00 0.00 C ATOM 719 O ILE A 45 124.909 -10.119 5.843 1.00 0.00 O ATOM 720 CB ILE A 45 125.030 -6.833 5.450 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.314 -6.147 4.949 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.057 -7.110 6.954 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.674 -4.876 5.687 1.00 0.00 C ATOM 0 H ILE A 45 123.307 -6.822 3.643 1.00 0.00 H new ATOM 0 HA ILE A 45 125.661 -8.381 4.137 1.00 0.00 H new ATOM 0 HB ILE A 45 124.193 -6.144 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.143 -6.849 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.199 -5.917 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.291 -6.190 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 45 124.082 -7.478 7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 45 125.817 -7.860 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.591 -4.460 5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.866 -4.152 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 45 126.825 -5.099 6.743 1.00 0.00 H new ATOM 735 N ALA A 46 122.819 -9.377 5.384 1.00 0.00 N ATOM 736 CA ALA A 46 122.163 -10.549 5.942 1.00 0.00 C ATOM 737 C ALA A 46 122.482 -11.721 5.057 1.00 0.00 C ATOM 738 O ALA A 46 122.889 -12.782 5.526 1.00 0.00 O ATOM 739 CB ALA A 46 120.654 -10.370 5.971 1.00 0.00 C ATOM 0 H ALA A 46 122.180 -8.660 5.039 1.00 0.00 H new ATOM 0 HA ALA A 46 122.516 -10.703 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.190 -11.261 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.402 -9.505 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.286 -10.215 4.957 1.00 0.00 H new ATOM 745 N CYS A 47 122.336 -11.487 3.763 1.00 0.00 N ATOM 746 CA CYS A 47 122.576 -12.482 2.736 1.00 0.00 C ATOM 747 C CYS A 47 124.059 -12.881 2.685 1.00 0.00 C ATOM 748 O CYS A 47 124.395 -13.974 2.282 1.00 0.00 O ATOM 749 CB CYS A 47 122.119 -11.936 1.386 1.00 0.00 C ATOM 750 SG CYS A 47 120.408 -11.340 1.380 1.00 0.00 S ATOM 0 H CYS A 47 122.042 -10.583 3.392 1.00 0.00 H new ATOM 0 HA CYS A 47 122.004 -13.379 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.779 -11.120 1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.224 -12.718 0.634 1.00 0.00 H new ATOM 0 HG CYS A 47 120.300 -10.322 2.181 1.00 0.00 H new ATOM 756 N GLU A 48 124.925 -11.988 3.114 1.00 0.00 N ATOM 757 CA GLU A 48 126.343 -12.246 3.172 1.00 0.00 C ATOM 758 C GLU A 48 126.651 -13.234 4.315 1.00 0.00 C ATOM 759 O GLU A 48 127.427 -14.186 4.145 1.00 0.00 O ATOM 760 CB GLU A 48 127.101 -10.920 3.320 1.00 0.00 C ATOM 761 CG GLU A 48 128.606 -11.046 3.344 1.00 0.00 C ATOM 762 CD GLU A 48 129.305 -9.712 3.369 1.00 0.00 C ATOM 763 OE1 GLU A 48 129.537 -9.172 4.461 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.672 -9.194 2.287 1.00 0.00 O ATOM 0 H GLU A 48 124.660 -11.056 3.434 1.00 0.00 H new ATOM 0 HA GLU A 48 126.679 -12.713 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 126.819 -10.264 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 48 126.777 -10.434 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 48 128.903 -11.623 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.933 -11.606 2.468 1.00 0.00 H new ATOM 771 N ASP A 49 125.996 -13.035 5.461 1.00 0.00 N ATOM 772 CA ASP A 49 126.129 -13.962 6.608 1.00 0.00 C ATOM 773 C ASP A 49 125.499 -15.293 6.217 1.00 0.00 C ATOM 774 O ASP A 49 125.969 -16.379 6.573 1.00 0.00 O ATOM 775 CB ASP A 49 125.412 -13.390 7.849 1.00 0.00 C ATOM 776 CG ASP A 49 125.598 -14.235 9.110 1.00 0.00 C ATOM 777 OD1 ASP A 49 124.808 -15.168 9.355 1.00 0.00 O ATOM 778 OD2 ASP A 49 126.534 -13.950 9.899 1.00 0.00 O ATOM 0 H ASP A 49 125.370 -12.248 5.628 1.00 0.00 H new ATOM 0 HA ASP A 49 127.182 -14.096 6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 49 125.782 -12.383 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.347 -13.303 7.634 1.00 0.00 H new ATOM 783 N PHE A 50 124.455 -15.172 5.441 1.00 0.00 N ATOM 784 CA PHE A 50 123.717 -16.275 4.891 1.00 0.00 C ATOM 785 C PHE A 50 124.587 -17.113 3.932 1.00 0.00 C ATOM 786 O PHE A 50 124.714 -18.316 4.111 1.00 0.00 O ATOM 787 CB PHE A 50 122.475 -15.715 4.186 1.00 0.00 C ATOM 788 CG PHE A 50 121.636 -16.710 3.473 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.822 -17.561 4.172 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.657 -16.782 2.094 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.042 -18.478 3.511 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.879 -17.694 1.428 1.00 0.00 C ATOM 793 CZ PHE A 50 120.070 -18.544 2.137 1.00 0.00 C ATOM 0 H PHE A 50 124.081 -14.264 5.164 1.00 0.00 H new ATOM 0 HA PHE A 50 123.410 -16.950 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.856 -15.210 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.796 -14.958 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.793 -17.511 5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.293 -16.113 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.406 -19.148 4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.903 -17.742 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.455 -19.264 1.618 1.00 0.00 H new ATOM 803 N LYS A 51 125.224 -16.470 2.960 1.00 0.00 N ATOM 804 CA LYS A 51 126.020 -17.191 1.970 1.00 0.00 C ATOM 805 C LYS A 51 127.303 -17.787 2.522 1.00 0.00 C ATOM 806 O LYS A 51 127.884 -18.683 1.908 1.00 0.00 O ATOM 807 CB LYS A 51 126.252 -16.384 0.664 1.00 0.00 C ATOM 808 CG LYS A 51 126.946 -15.010 0.767 1.00 0.00 C ATOM 809 CD LYS A 51 128.434 -15.078 1.101 1.00 0.00 C ATOM 810 CE LYS A 51 129.050 -13.689 1.043 1.00 0.00 C ATOM 811 NZ LYS A 51 130.470 -13.670 1.432 1.00 0.00 N ATOM 0 H LYS A 51 125.206 -15.458 2.835 1.00 0.00 H new ATOM 0 HA LYS A 51 125.402 -18.045 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.842 -17.005 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.282 -16.232 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 126.822 -14.482 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.441 -14.418 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.572 -15.503 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.942 -15.739 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.951 -13.296 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.491 -13.022 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.833 -12.697 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 130.567 -14.017 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 131.014 -14.282 0.791 1.00 0.00 H new ATOM 825 N LYS A 52 127.761 -17.298 3.664 1.00 0.00 N ATOM 826 CA LYS A 52 128.945 -17.877 4.276 1.00 0.00 C ATOM 827 C LYS A 52 128.557 -19.081 5.142 1.00 0.00 C ATOM 828 O LYS A 52 129.413 -19.789 5.669 1.00 0.00 O ATOM 829 CB LYS A 52 129.755 -16.840 5.071 1.00 0.00 C ATOM 830 CG LYS A 52 129.109 -16.348 6.349 1.00 0.00 C ATOM 831 CD LYS A 52 129.916 -15.221 6.951 1.00 0.00 C ATOM 832 CE LYS A 52 129.373 -14.785 8.296 1.00 0.00 C ATOM 833 NZ LYS A 52 130.047 -13.559 8.773 1.00 0.00 N ATOM 0 H LYS A 52 127.343 -16.521 4.175 1.00 0.00 H new ATOM 0 HA LYS A 52 129.599 -18.225 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 52 130.724 -17.274 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.945 -15.982 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 52 128.095 -16.007 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 52 129.030 -17.168 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 52 130.952 -15.539 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.916 -14.371 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 128.301 -14.606 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.511 -15.585 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 129.655 -13.284 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 131.067 -13.739 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 129.894 -12.790 8.089 1.00 0.00 H new ATOM 847 N SER A 53 127.264 -19.310 5.269 1.00 0.00 N ATOM 848 CA SER A 53 126.763 -20.447 5.982 1.00 0.00 C ATOM 849 C SER A 53 126.696 -21.604 4.997 1.00 0.00 C ATOM 850 O SER A 53 126.189 -21.448 3.891 1.00 0.00 O ATOM 851 CB SER A 53 125.379 -20.137 6.555 1.00 0.00 C ATOM 852 OG SER A 53 125.426 -18.979 7.398 1.00 0.00 O ATOM 0 H SER A 53 126.540 -18.708 4.878 1.00 0.00 H new ATOM 0 HA SER A 53 127.413 -20.703 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.672 -19.972 5.742 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.016 -20.993 7.124 1.00 0.00 H new ATOM 0 HG SER A 53 125.624 -18.187 6.855 1.00 0.00 H new ATOM 858 N LYS A 54 127.256 -22.727 5.354 1.00 0.00 N ATOM 859 CA LYS A 54 127.306 -23.849 4.432 1.00 0.00 C ATOM 860 C LYS A 54 126.396 -24.999 4.826 1.00 0.00 C ATOM 861 O LYS A 54 126.407 -26.045 4.190 1.00 0.00 O ATOM 862 CB LYS A 54 128.768 -24.299 4.160 1.00 0.00 C ATOM 863 CG LYS A 54 129.648 -24.607 5.386 1.00 0.00 C ATOM 864 CD LYS A 54 129.241 -25.876 6.129 1.00 0.00 C ATOM 865 CE LYS A 54 130.196 -26.180 7.272 1.00 0.00 C ATOM 866 NZ LYS A 54 131.571 -26.467 6.796 1.00 0.00 N ATOM 0 H LYS A 54 127.682 -22.898 6.265 1.00 0.00 H new ATOM 0 HA LYS A 54 126.902 -23.488 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.736 -25.191 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.259 -23.519 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.685 -24.702 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.604 -23.763 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.229 -25.763 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 54 129.223 -26.716 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.221 -25.332 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 54 129.823 -27.035 7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 132.113 -26.926 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.528 -27.099 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 132.038 -25.578 6.526 1.00 0.00 H new ATOM 880 N GLY A 55 125.603 -24.792 5.843 1.00 0.00 N ATOM 881 CA GLY A 55 124.694 -25.818 6.277 1.00 0.00 C ATOM 882 C GLY A 55 123.423 -25.754 5.479 1.00 0.00 C ATOM 883 O GLY A 55 122.703 -24.779 5.583 1.00 0.00 O ATOM 0 H GLY A 55 125.568 -23.928 6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.157 -26.798 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.473 -25.694 7.337 1.00 0.00 H new ATOM 887 N PRO A 56 123.108 -26.781 4.674 1.00 0.00 N ATOM 888 CA PRO A 56 121.943 -26.759 3.778 1.00 0.00 C ATOM 889 C PRO A 56 120.612 -26.637 4.527 1.00 0.00 C ATOM 890 O PRO A 56 119.661 -26.033 4.029 1.00 0.00 O ATOM 891 CB PRO A 56 122.024 -28.089 3.024 1.00 0.00 C ATOM 892 CG PRO A 56 123.427 -28.554 3.216 1.00 0.00 C ATOM 893 CD PRO A 56 123.855 -28.040 4.557 1.00 0.00 C ATOM 0 HA PRO A 56 121.968 -25.889 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.311 -28.812 3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.792 -27.959 1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 56 123.486 -29.642 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 56 124.075 -28.173 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.603 -28.736 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.932 -27.878 4.604 1.00 0.00 H new ATOM 901 N GLN A 57 120.553 -27.167 5.733 1.00 0.00 N ATOM 902 CA GLN A 57 119.341 -27.072 6.522 1.00 0.00 C ATOM 903 C GLN A 57 119.244 -25.658 7.054 1.00 0.00 C ATOM 904 O GLN A 57 118.178 -25.041 7.030 1.00 0.00 O ATOM 905 CB GLN A 57 119.349 -28.076 7.671 1.00 0.00 C ATOM 906 CG GLN A 57 119.483 -29.523 7.230 1.00 0.00 C ATOM 907 CD GLN A 57 119.482 -30.470 8.403 1.00 0.00 C ATOM 908 OE1 GLN A 57 120.533 -30.795 8.962 1.00 0.00 O ATOM 909 NE2 GLN A 57 118.325 -30.925 8.777 1.00 0.00 N ATOM 0 H GLN A 57 121.322 -27.663 6.184 1.00 0.00 H new ATOM 0 HA GLN A 57 118.477 -27.306 5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.172 -27.835 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.427 -27.965 8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 57 118.662 -29.776 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.407 -29.646 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 57 117.479 -30.631 8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 57 118.262 -31.576 9.560 1.00 0.00 H new ATOM 918 N GLN A 58 120.399 -25.139 7.460 1.00 0.00 N ATOM 919 CA GLN A 58 120.563 -23.776 7.956 1.00 0.00 C ATOM 920 C GLN A 58 120.124 -22.769 6.885 1.00 0.00 C ATOM 921 O GLN A 58 119.536 -21.729 7.203 1.00 0.00 O ATOM 922 CB GLN A 58 122.039 -23.548 8.346 1.00 0.00 C ATOM 923 CG GLN A 58 122.368 -22.161 8.872 1.00 0.00 C ATOM 924 CD GLN A 58 121.653 -21.840 10.163 1.00 0.00 C ATOM 925 OE1 GLN A 58 120.547 -21.316 10.159 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.281 -22.117 11.268 1.00 0.00 N ATOM 0 H GLN A 58 121.270 -25.669 7.453 1.00 0.00 H new ATOM 0 HA GLN A 58 119.937 -23.631 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.314 -24.280 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.662 -23.744 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.444 -22.083 9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.100 -21.419 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 58 123.202 -22.554 11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.852 -21.897 12.167 1.00 0.00 H new ATOM 935 N ILE A 59 120.398 -23.106 5.625 1.00 0.00 N ATOM 936 CA ILE A 59 120.004 -22.286 4.475 1.00 0.00 C ATOM 937 C ILE A 59 118.499 -22.068 4.496 1.00 0.00 C ATOM 938 O ILE A 59 118.028 -20.951 4.388 1.00 0.00 O ATOM 939 CB ILE A 59 120.364 -22.960 3.115 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.843 -23.360 3.042 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.984 -22.070 1.944 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.827 -22.262 3.364 1.00 0.00 C ATOM 0 H ILE A 59 120.900 -23.956 5.370 1.00 0.00 H new ATOM 0 HA ILE A 59 120.548 -21.345 4.557 1.00 0.00 H new ATOM 0 HB ILE A 59 119.779 -23.877 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.012 -24.189 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.053 -23.730 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.247 -22.566 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.911 -21.880 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.521 -21.124 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.843 -22.649 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.696 -21.438 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.654 -21.905 4.379 1.00 0.00 H new ATOM 954 N HIS A 60 117.763 -23.156 4.677 1.00 0.00 N ATOM 955 CA HIS A 60 116.290 -23.119 4.720 1.00 0.00 C ATOM 956 C HIS A 60 115.785 -22.204 5.808 1.00 0.00 C ATOM 957 O HIS A 60 114.820 -21.468 5.617 1.00 0.00 O ATOM 958 CB HIS A 60 115.687 -24.513 4.926 1.00 0.00 C ATOM 959 CG HIS A 60 115.745 -25.397 3.732 1.00 0.00 C ATOM 960 ND1 HIS A 60 116.756 -26.099 3.208 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 114.660 -25.640 2.936 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.269 -26.749 2.103 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.000 -26.454 1.966 1.00 0.00 N flip ATOM 0 H HIS A 60 118.158 -24.089 4.798 1.00 0.00 H new ATOM 0 HA HIS A 60 115.972 -22.734 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.209 -25.002 5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.646 -24.403 5.229 1.00 0.00 H new ATOM 0 HD1 HIS A 60 117.711 -26.143 3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 60 113.674 -25.225 3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 60 116.838 -27.397 1.453 1.00 0.00 H new ATOM 972 N LEU A 61 116.447 -22.248 6.930 1.00 0.00 N ATOM 973 CA LEU A 61 116.063 -21.482 8.100 1.00 0.00 C ATOM 974 C LEU A 61 116.322 -20.020 7.846 1.00 0.00 C ATOM 975 O LEU A 61 115.405 -19.188 7.871 1.00 0.00 O ATOM 976 CB LEU A 61 116.921 -21.910 9.270 1.00 0.00 C ATOM 977 CG LEU A 61 117.152 -23.395 9.403 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.080 -23.663 10.540 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.849 -24.148 9.548 1.00 0.00 C ATOM 0 H LEU A 61 117.279 -22.821 7.067 1.00 0.00 H new ATOM 0 HA LEU A 61 115.007 -21.650 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 61 117.889 -21.416 9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.457 -21.549 10.188 1.00 0.00 H new ATOM 0 HG LEU A 61 117.619 -23.759 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.243 -24.737 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.033 -23.166 10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.643 -23.283 11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 61 116.054 -25.215 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.325 -23.800 10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 61 115.228 -23.973 8.669 1.00 0.00 H new ATOM 991 N LYS A 62 117.577 -19.730 7.586 1.00 0.00 N ATOM 992 CA LYS A 62 118.046 -18.378 7.324 1.00 0.00 C ATOM 993 C LYS A 62 117.334 -17.703 6.161 1.00 0.00 C ATOM 994 O LYS A 62 116.925 -16.550 6.288 1.00 0.00 O ATOM 995 CB LYS A 62 119.553 -18.354 7.132 1.00 0.00 C ATOM 996 CG LYS A 62 120.324 -18.594 8.403 1.00 0.00 C ATOM 997 CD LYS A 62 120.074 -17.469 9.382 1.00 0.00 C ATOM 998 CE LYS A 62 120.753 -17.719 10.717 1.00 0.00 C ATOM 999 NZ LYS A 62 120.235 -18.935 11.390 1.00 0.00 N ATOM 0 H LYS A 62 118.315 -20.433 7.549 1.00 0.00 H new ATOM 0 HA LYS A 62 117.795 -17.793 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.830 -19.112 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.843 -17.389 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.025 -19.544 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.389 -18.666 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.438 -16.532 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.001 -17.354 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.827 -17.821 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 62 120.604 -16.856 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 120.703 -19.047 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 119.209 -18.843 11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 120.430 -19.768 10.799 1.00 0.00 H new ATOM 1013 N ALA A 63 117.160 -18.412 5.052 1.00 0.00 N ATOM 1014 CA ALA A 63 116.488 -17.844 3.888 1.00 0.00 C ATOM 1015 C ALA A 63 115.077 -17.468 4.236 1.00 0.00 C ATOM 1016 O ALA A 63 114.637 -16.385 3.929 1.00 0.00 O ATOM 1017 CB ALA A 63 116.476 -18.814 2.725 1.00 0.00 C ATOM 0 H ALA A 63 117.473 -19.376 4.934 1.00 0.00 H new ATOM 0 HA ALA A 63 117.044 -16.955 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.968 -18.358 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.501 -19.060 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.951 -19.724 3.016 1.00 0.00 H new ATOM 1023 N LYS A 64 114.392 -18.363 4.917 1.00 0.00 N ATOM 1024 CA LYS A 64 113.007 -18.155 5.310 1.00 0.00 C ATOM 1025 C LYS A 64 112.887 -16.948 6.253 1.00 0.00 C ATOM 1026 O LYS A 64 111.938 -16.160 6.160 1.00 0.00 O ATOM 1027 CB LYS A 64 112.471 -19.427 5.973 1.00 0.00 C ATOM 1028 CG LYS A 64 110.972 -19.476 6.179 1.00 0.00 C ATOM 1029 CD LYS A 64 110.249 -19.233 4.872 1.00 0.00 C ATOM 1030 CE LYS A 64 108.806 -19.685 4.915 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.042 -19.135 6.050 1.00 0.00 N ATOM 0 H LYS A 64 114.778 -19.259 5.216 1.00 0.00 H new ATOM 0 HA LYS A 64 112.409 -17.940 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.764 -20.283 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.957 -19.542 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.686 -20.447 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.675 -18.725 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.286 -18.170 4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.767 -19.759 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.317 -19.395 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.778 -20.774 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.056 -18.974 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.064 -19.809 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.466 -18.234 6.350 1.00 0.00 H new ATOM 1045 N ALA A 65 113.876 -16.793 7.119 1.00 0.00 N ATOM 1046 CA ALA A 65 113.915 -15.686 8.056 1.00 0.00 C ATOM 1047 C ALA A 65 114.117 -14.365 7.310 1.00 0.00 C ATOM 1048 O ALA A 65 113.331 -13.425 7.468 1.00 0.00 O ATOM 1049 CB ALA A 65 115.023 -15.900 9.082 1.00 0.00 C ATOM 0 H ALA A 65 114.670 -17.429 7.191 1.00 0.00 H new ATOM 0 HA ALA A 65 112.962 -15.640 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.041 -15.062 9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 65 114.838 -16.824 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 65 115.984 -15.968 8.571 1.00 0.00 H new ATOM 1055 N ILE A 66 115.140 -14.325 6.463 1.00 0.00 N ATOM 1056 CA ILE A 66 115.483 -13.138 5.673 1.00 0.00 C ATOM 1057 C ILE A 66 114.349 -12.791 4.695 1.00 0.00 C ATOM 1058 O ILE A 66 114.025 -11.621 4.488 1.00 0.00 O ATOM 1059 CB ILE A 66 116.836 -13.348 4.922 1.00 0.00 C ATOM 1060 CG1 ILE A 66 117.972 -13.538 5.950 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.145 -12.196 3.958 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.346 -13.767 5.352 1.00 0.00 C ATOM 0 H ILE A 66 115.761 -15.118 6.301 1.00 0.00 H new ATOM 0 HA ILE A 66 115.607 -12.295 6.352 1.00 0.00 H new ATOM 0 HB ILE A 66 116.752 -14.247 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.013 -12.657 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.725 -14.385 6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.095 -12.385 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.352 -12.121 3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.208 -11.262 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.076 -13.889 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.329 -14.666 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.622 -12.911 4.737 1.00 0.00 H new ATOM 1074 N TYR A 67 113.735 -13.820 4.147 1.00 0.00 N ATOM 1075 CA TYR A 67 112.586 -13.709 3.264 1.00 0.00 C ATOM 1076 C TYR A 67 111.488 -12.882 3.919 1.00 0.00 C ATOM 1077 O TYR A 67 111.154 -11.802 3.454 1.00 0.00 O ATOM 1078 CB TYR A 67 112.066 -15.120 2.956 1.00 0.00 C ATOM 1079 CG TYR A 67 110.822 -15.175 2.124 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.838 -14.758 0.821 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.634 -15.658 2.650 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.715 -14.810 0.044 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.496 -15.719 1.887 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.536 -15.296 0.583 1.00 0.00 C ATOM 1085 OH TYR A 67 107.404 -15.364 -0.186 1.00 0.00 O ATOM 0 H TYR A 67 114.028 -14.784 4.306 1.00 0.00 H new ATOM 0 HA TYR A 67 112.883 -13.210 2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.851 -15.675 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.876 -15.633 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.757 -14.380 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.604 -15.992 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.747 -14.475 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.577 -16.097 2.309 1.00 0.00 H new ATOM 0 HH TYR A 67 106.668 -15.730 0.347 1.00 0.00 H new ATOM 1095 N GLU A 68 111.001 -13.347 5.040 1.00 0.00 N ATOM 1096 CA GLU A 68 109.888 -12.696 5.697 1.00 0.00 C ATOM 1097 C GLU A 68 110.267 -11.422 6.428 1.00 0.00 C ATOM 1098 O GLU A 68 109.401 -10.654 6.834 1.00 0.00 O ATOM 1099 CB GLU A 68 109.159 -13.655 6.592 1.00 0.00 C ATOM 1100 CG GLU A 68 108.454 -14.744 5.816 1.00 0.00 C ATOM 1101 CD GLU A 68 107.734 -15.703 6.692 1.00 0.00 C ATOM 1102 OE1 GLU A 68 106.567 -15.443 7.047 1.00 0.00 O ATOM 1103 OE2 GLU A 68 108.313 -16.745 7.044 1.00 0.00 O ATOM 0 H GLU A 68 111.355 -14.174 5.520 1.00 0.00 H new ATOM 0 HA GLU A 68 109.211 -12.380 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 68 109.866 -14.107 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.430 -13.108 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 68 107.745 -14.289 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.184 -15.286 5.215 1.00 0.00 H new ATOM 1110 N LYS A 69 111.535 -11.186 6.575 1.00 0.00 N ATOM 1111 CA LYS A 69 111.993 -9.996 7.249 1.00 0.00 C ATOM 1112 C LYS A 69 112.315 -8.879 6.244 1.00 0.00 C ATOM 1113 O LYS A 69 112.347 -7.697 6.602 1.00 0.00 O ATOM 1114 CB LYS A 69 113.204 -10.333 8.142 1.00 0.00 C ATOM 1115 CG LYS A 69 113.733 -9.182 8.987 1.00 0.00 C ATOM 1116 CD LYS A 69 114.754 -9.659 10.016 1.00 0.00 C ATOM 1117 CE LYS A 69 115.969 -10.302 9.375 1.00 0.00 C ATOM 1118 NZ LYS A 69 116.929 -10.782 10.388 1.00 0.00 N ATOM 0 H LYS A 69 112.277 -11.799 6.239 1.00 0.00 H new ATOM 0 HA LYS A 69 111.194 -9.622 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 69 112.927 -11.152 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.012 -10.697 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.192 -8.435 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 69 112.903 -8.694 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.073 -8.813 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 69 114.280 -10.375 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 69 115.652 -11.136 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 69 116.460 -9.582 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 117.747 -11.216 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.250 -9.981 10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 116.468 -11.488 10.997 1.00 0.00 H new ATOM 1132 N PHE A 70 112.471 -9.238 4.985 1.00 0.00 N ATOM 1133 CA PHE A 70 112.889 -8.279 3.974 1.00 0.00 C ATOM 1134 C PHE A 70 112.070 -8.414 2.702 1.00 0.00 C ATOM 1135 O PHE A 70 111.355 -7.500 2.314 1.00 0.00 O ATOM 1136 CB PHE A 70 114.374 -8.465 3.617 1.00 0.00 C ATOM 1137 CG PHE A 70 115.379 -8.079 4.673 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.746 -6.754 4.839 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.981 -9.039 5.466 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.688 -6.395 5.780 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.929 -8.687 6.404 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.282 -7.364 6.563 1.00 0.00 C ATOM 0 H PHE A 70 112.316 -10.184 4.635 1.00 0.00 H new ATOM 0 HA PHE A 70 112.731 -7.289 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.534 -9.513 3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.583 -7.883 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 70 115.289 -5.993 4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.705 -10.077 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.960 -5.357 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.394 -9.447 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.022 -7.086 7.299 1.00 0.00 H new ATOM 1152 N ILE A 71 112.175 -9.581 2.087 1.00 0.00 N ATOM 1153 CA ILE A 71 111.555 -9.906 0.786 1.00 0.00 C ATOM 1154 C ILE A 71 110.032 -9.773 0.861 1.00 0.00 C ATOM 1155 O ILE A 71 109.357 -9.403 -0.127 1.00 0.00 O ATOM 1156 CB ILE A 71 111.931 -11.373 0.393 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.450 -11.541 0.377 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.332 -11.820 -0.944 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.159 -10.606 -0.572 1.00 0.00 C ATOM 0 H ILE A 71 112.706 -10.359 2.479 1.00 0.00 H new ATOM 0 HA ILE A 71 111.926 -9.208 0.035 1.00 0.00 H new ATOM 0 HB ILE A 71 111.494 -12.019 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.834 -11.380 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.689 -12.569 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.634 -12.846 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.245 -11.765 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.691 -11.167 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.233 -10.786 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.805 -10.781 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.952 -9.574 -0.289 1.00 0.00 H new ATOM 1171 N GLN A 72 109.514 -10.066 2.034 1.00 0.00 N ATOM 1172 CA GLN A 72 108.100 -10.002 2.312 1.00 0.00 C ATOM 1173 C GLN A 72 107.617 -8.551 2.224 1.00 0.00 C ATOM 1174 O GLN A 72 108.343 -7.622 2.568 1.00 0.00 O ATOM 1175 CB GLN A 72 107.838 -10.545 3.711 1.00 0.00 C ATOM 1176 CG GLN A 72 106.378 -10.684 4.073 1.00 0.00 C ATOM 1177 CD GLN A 72 105.704 -11.832 3.346 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.328 -12.846 3.036 1.00 0.00 O ATOM 1179 NE2 GLN A 72 104.460 -11.671 3.034 1.00 0.00 N ATOM 0 H GLN A 72 110.075 -10.360 2.833 1.00 0.00 H new ATOM 0 HA GLN A 72 107.559 -10.601 1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.315 -11.521 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.317 -9.887 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.287 -10.836 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.859 -9.755 3.838 1.00 0.00 H new ATOM 0 HE21 GLN A 72 103.972 -10.818 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 72 103.966 -12.397 2.515 1.00 0.00 H new ATOM 1188 N THR A 73 106.424 -8.370 1.767 1.00 0.00 N ATOM 1189 CA THR A 73 105.854 -7.061 1.630 1.00 0.00 C ATOM 1190 C THR A 73 105.374 -6.530 2.997 1.00 0.00 C ATOM 1191 O THR A 73 105.633 -5.401 3.364 1.00 0.00 O ATOM 1192 CB THR A 73 104.716 -7.118 0.616 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.227 -7.707 -0.599 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.159 -5.739 0.335 1.00 0.00 C ATOM 0 H THR A 73 105.808 -9.128 1.474 1.00 0.00 H new ATOM 0 HA THR A 73 106.611 -6.366 1.267 1.00 0.00 H new ATOM 0 HB THR A 73 103.901 -7.719 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.510 -7.755 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.350 -5.815 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.778 -5.305 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.948 -5.103 -0.066 1.00 0.00 H new ATOM 1202 N ASP A 74 104.711 -7.370 3.749 1.00 0.00 N ATOM 1203 CA ASP A 74 104.259 -7.032 5.123 1.00 0.00 C ATOM 1204 C ASP A 74 105.370 -7.300 6.148 1.00 0.00 C ATOM 1205 O ASP A 74 105.099 -7.510 7.339 1.00 0.00 O ATOM 1206 CB ASP A 74 102.996 -7.839 5.516 1.00 0.00 C ATOM 1207 CG ASP A 74 101.765 -7.474 4.714 1.00 0.00 C ATOM 1208 OD1 ASP A 74 101.141 -6.440 4.997 1.00 0.00 O ATOM 1209 OD2 ASP A 74 101.401 -8.222 3.779 1.00 0.00 O ATOM 0 H ASP A 74 104.457 -8.312 3.450 1.00 0.00 H new ATOM 0 HA ASP A 74 104.014 -5.970 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 74 103.200 -8.902 5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.789 -7.680 6.574 1.00 0.00 H new ATOM 1214 N ALA A 75 106.611 -7.226 5.688 1.00 0.00 N ATOM 1215 CA ALA A 75 107.792 -7.502 6.501 1.00 0.00 C ATOM 1216 C ALA A 75 108.002 -6.435 7.576 1.00 0.00 C ATOM 1217 O ALA A 75 107.480 -5.326 7.467 1.00 0.00 O ATOM 1218 CB ALA A 75 109.021 -7.564 5.609 1.00 0.00 C ATOM 0 H ALA A 75 106.831 -6.969 4.726 1.00 0.00 H new ATOM 0 HA ALA A 75 107.637 -8.459 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.902 -7.770 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.896 -8.357 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.148 -6.610 5.098 1.00 0.00 H new ATOM 1224 N PRO A 76 108.766 -6.757 8.638 1.00 0.00 N ATOM 1225 CA PRO A 76 109.099 -5.793 9.704 1.00 0.00 C ATOM 1226 C PRO A 76 110.113 -4.732 9.247 1.00 0.00 C ATOM 1227 O PRO A 76 110.392 -3.778 9.972 1.00 0.00 O ATOM 1228 CB PRO A 76 109.729 -6.678 10.784 1.00 0.00 C ATOM 1229 CG PRO A 76 110.291 -7.826 10.026 1.00 0.00 C ATOM 1230 CD PRO A 76 109.309 -8.101 8.941 1.00 0.00 C ATOM 0 HA PRO A 76 108.223 -5.232 10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.504 -6.145 11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.988 -7.006 11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.272 -7.584 9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.420 -8.696 10.669 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.785 -8.550 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.528 -8.788 9.267 1.00 0.00 H new ATOM 1238 N LYS A 77 110.677 -4.920 8.064 1.00 0.00 N ATOM 1239 CA LYS A 77 111.646 -3.976 7.523 1.00 0.00 C ATOM 1240 C LYS A 77 111.247 -3.531 6.126 1.00 0.00 C ATOM 1241 O LYS A 77 111.132 -2.327 5.866 1.00 0.00 O ATOM 1242 CB LYS A 77 113.054 -4.581 7.488 1.00 0.00 C ATOM 1243 CG LYS A 77 113.644 -4.911 8.850 1.00 0.00 C ATOM 1244 CD LYS A 77 115.007 -5.549 8.693 1.00 0.00 C ATOM 1245 CE LYS A 77 115.650 -5.882 10.026 1.00 0.00 C ATOM 1246 NZ LYS A 77 116.000 -4.686 10.809 1.00 0.00 N ATOM 0 H LYS A 77 110.481 -5.718 7.459 1.00 0.00 H new ATOM 0 HA LYS A 77 111.657 -3.109 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.027 -5.492 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.720 -3.885 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 77 113.727 -4.003 9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 77 112.979 -5.587 9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.912 -6.460 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.658 -4.874 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 77 114.969 -6.504 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 77 116.550 -6.472 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 116.526 -4.970 11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 116.591 -4.054 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 115.131 -4.188 11.089 1.00 0.00 H new ATOM 1260 N GLU A 78 111.030 -4.520 5.244 1.00 0.00 N ATOM 1261 CA GLU A 78 110.667 -4.323 3.820 1.00 0.00 C ATOM 1262 C GLU A 78 111.859 -3.920 2.976 1.00 0.00 C ATOM 1263 O GLU A 78 112.895 -3.486 3.493 1.00 0.00 O ATOM 1264 CB GLU A 78 109.541 -3.312 3.589 1.00 0.00 C ATOM 1265 CG GLU A 78 108.196 -3.703 4.115 1.00 0.00 C ATOM 1266 CD GLU A 78 107.157 -2.694 3.717 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.011 -2.415 2.513 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.469 -2.141 4.594 1.00 0.00 O ATOM 0 H GLU A 78 111.102 -5.504 5.502 1.00 0.00 H new ATOM 0 HA GLU A 78 110.302 -5.302 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.828 -2.366 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.453 -3.133 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.922 -4.686 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.234 -3.784 5.201 1.00 0.00 H new ATOM 1275 N VAL A 79 111.715 -4.092 1.675 1.00 0.00 N ATOM 1276 CA VAL A 79 112.723 -3.724 0.708 1.00 0.00 C ATOM 1277 C VAL A 79 112.008 -3.126 -0.501 1.00 0.00 C ATOM 1278 O VAL A 79 110.868 -3.485 -0.781 1.00 0.00 O ATOM 1279 CB VAL A 79 113.526 -4.979 0.217 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.679 -4.594 -0.680 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.031 -5.809 1.365 1.00 0.00 C ATOM 0 H VAL A 79 110.878 -4.499 1.257 1.00 0.00 H new ATOM 0 HA VAL A 79 113.417 -3.021 1.170 1.00 0.00 H new ATOM 0 HB VAL A 79 112.824 -5.581 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.209 -5.492 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.299 -4.068 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.363 -3.943 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.581 -6.667 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.691 -5.205 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.187 -6.157 1.961 1.00 0.00 H new ATOM 1291 N ASN A 80 112.654 -2.227 -1.213 1.00 0.00 N ATOM 1292 CA ASN A 80 112.114 -1.668 -2.476 1.00 0.00 C ATOM 1293 C ASN A 80 112.503 -2.591 -3.642 1.00 0.00 C ATOM 1294 O ASN A 80 112.740 -2.149 -4.764 1.00 0.00 O ATOM 1295 CB ASN A 80 112.672 -0.249 -2.721 1.00 0.00 C ATOM 1296 CG ASN A 80 112.166 0.794 -1.734 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.161 1.470 -1.977 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.835 0.926 -0.616 1.00 0.00 N ATOM 0 H ASN A 80 113.566 -1.852 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 80 111.028 -1.603 -2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.760 -0.284 -2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.409 0.064 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.530 1.602 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.661 0.353 -0.445 1.00 0.00 H new ATOM 1305 N LEU A 81 112.499 -3.877 -3.358 1.00 0.00 N ATOM 1306 CA LEU A 81 112.928 -4.926 -4.262 1.00 0.00 C ATOM 1307 C LEU A 81 112.043 -5.033 -5.506 1.00 0.00 C ATOM 1308 O LEU A 81 110.834 -4.811 -5.440 1.00 0.00 O ATOM 1309 CB LEU A 81 112.931 -6.251 -3.494 1.00 0.00 C ATOM 1310 CG LEU A 81 113.346 -7.495 -4.257 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.769 -7.386 -4.650 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.123 -8.740 -3.423 1.00 0.00 C ATOM 0 H LEU A 81 112.185 -4.235 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 81 113.929 -4.683 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.596 -6.143 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.928 -6.415 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 81 112.731 -7.577 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.065 -8.281 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.905 -6.510 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.386 -7.287 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.428 -9.618 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.714 -8.676 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.067 -8.822 -3.167 1.00 0.00 H new ATOM 1324 N ASP A 82 112.677 -5.350 -6.625 1.00 0.00 N ATOM 1325 CA ASP A 82 112.009 -5.549 -7.913 1.00 0.00 C ATOM 1326 C ASP A 82 110.934 -6.614 -7.809 1.00 0.00 C ATOM 1327 O ASP A 82 111.174 -7.696 -7.248 1.00 0.00 O ATOM 1328 CB ASP A 82 113.028 -5.954 -8.977 1.00 0.00 C ATOM 1329 CG ASP A 82 112.405 -6.198 -10.333 1.00 0.00 C ATOM 1330 OD1 ASP A 82 112.000 -7.346 -10.626 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.328 -5.253 -11.140 1.00 0.00 O ATOM 0 H ASP A 82 113.688 -5.480 -6.670 1.00 0.00 H new ATOM 0 HA ASP A 82 111.540 -4.607 -8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.782 -5.172 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.543 -6.858 -8.653 1.00 0.00 H new ATOM 1336 N PHE A 83 109.766 -6.307 -8.345 1.00 0.00 N ATOM 1337 CA PHE A 83 108.599 -7.181 -8.295 1.00 0.00 C ATOM 1338 C PHE A 83 108.858 -8.590 -8.846 1.00 0.00 C ATOM 1339 O PHE A 83 108.402 -9.570 -8.260 1.00 0.00 O ATOM 1340 CB PHE A 83 107.364 -6.528 -8.961 1.00 0.00 C ATOM 1341 CG PHE A 83 107.504 -6.176 -10.430 1.00 0.00 C ATOM 1342 CD1 PHE A 83 108.060 -4.969 -10.822 1.00 0.00 C ATOM 1343 CD2 PHE A 83 107.057 -7.048 -11.411 1.00 0.00 C ATOM 1344 CE1 PHE A 83 108.171 -4.639 -12.157 1.00 0.00 C ATOM 1345 CE2 PHE A 83 107.167 -6.724 -12.749 1.00 0.00 C ATOM 1346 CZ PHE A 83 107.724 -5.519 -13.122 1.00 0.00 C ATOM 0 H PHE A 83 109.595 -5.430 -8.836 1.00 0.00 H new ATOM 0 HA PHE A 83 108.379 -7.314 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.517 -7.205 -8.850 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.120 -5.618 -8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 83 108.412 -4.276 -10.072 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.617 -7.992 -11.125 1.00 0.00 H new ATOM 0 HE1 PHE A 83 108.607 -3.694 -12.446 1.00 0.00 H new ATOM 0 HE2 PHE A 83 106.817 -7.414 -13.503 1.00 0.00 H new ATOM 0 HZ PHE A 83 107.810 -5.264 -14.168 1.00 0.00 H new ATOM 1356 N HIS A 84 109.631 -8.701 -9.919 1.00 0.00 N ATOM 1357 CA HIS A 84 109.912 -10.006 -10.513 1.00 0.00 C ATOM 1358 C HIS A 84 110.949 -10.746 -9.687 1.00 0.00 C ATOM 1359 O HIS A 84 110.945 -11.971 -9.630 1.00 0.00 O ATOM 1360 CB HIS A 84 110.332 -9.886 -11.998 1.00 0.00 C ATOM 1361 CG HIS A 84 110.756 -11.185 -12.661 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.933 -12.281 -12.795 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.935 -11.550 -13.215 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.582 -13.245 -13.400 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.793 -12.833 -13.666 1.00 0.00 N ATOM 0 H HIS A 84 110.072 -7.913 -10.393 1.00 0.00 H new ATOM 0 HA HIS A 84 108.992 -10.590 -10.502 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.499 -9.465 -12.561 1.00 0.00 H new ATOM 0 HB3 HIS A 84 111.156 -9.176 -12.069 1.00 0.00 H new ATOM 0 HD1 HIS A 84 108.967 -12.334 -12.473 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.824 -10.941 -13.288 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.182 -14.219 -13.639 1.00 0.00 H new ATOM 1374 N THR A 85 111.811 -10.003 -9.036 1.00 0.00 N ATOM 1375 CA THR A 85 112.783 -10.602 -8.167 1.00 0.00 C ATOM 1376 C THR A 85 112.068 -11.181 -6.948 1.00 0.00 C ATOM 1377 O THR A 85 112.269 -12.345 -6.609 1.00 0.00 O ATOM 1378 CB THR A 85 113.850 -9.587 -7.746 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.481 -9.048 -8.928 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.895 -10.249 -6.862 1.00 0.00 C ATOM 0 H THR A 85 111.856 -8.986 -9.094 1.00 0.00 H new ATOM 0 HA THR A 85 113.296 -11.402 -8.701 1.00 0.00 H new ATOM 0 HB THR A 85 113.377 -8.785 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 85 114.901 -9.774 -9.435 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.645 -9.513 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.415 -10.649 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.375 -11.060 -7.410 1.00 0.00 H new ATOM 1388 N LYS A 86 111.190 -10.362 -6.333 1.00 0.00 N ATOM 1389 CA LYS A 86 110.354 -10.804 -5.207 1.00 0.00 C ATOM 1390 C LYS A 86 109.607 -12.054 -5.612 1.00 0.00 C ATOM 1391 O LYS A 86 109.616 -13.042 -4.903 1.00 0.00 O ATOM 1392 CB LYS A 86 109.299 -9.751 -4.840 1.00 0.00 C ATOM 1393 CG LYS A 86 109.804 -8.422 -4.322 1.00 0.00 C ATOM 1394 CD LYS A 86 108.657 -7.422 -4.215 1.00 0.00 C ATOM 1395 CE LYS A 86 107.550 -7.864 -3.242 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.917 -7.715 -1.811 1.00 0.00 N ATOM 0 H LYS A 86 111.044 -9.389 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 86 111.011 -10.975 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 86 108.689 -9.560 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 86 108.641 -10.180 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 86 110.269 -8.558 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 86 110.573 -8.033 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 86 109.053 -6.460 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 86 108.223 -7.271 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 86 106.651 -7.280 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 86 107.302 -8.907 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 107.053 -7.682 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 108.500 -8.524 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 108.455 -6.835 -1.680 1.00 0.00 H new ATOM 1410 N GLU A 87 108.999 -11.979 -6.784 1.00 0.00 N ATOM 1411 CA GLU A 87 108.204 -13.039 -7.372 1.00 0.00 C ATOM 1412 C GLU A 87 108.925 -14.384 -7.350 1.00 0.00 C ATOM 1413 O GLU A 87 108.432 -15.342 -6.750 1.00 0.00 O ATOM 1414 CB GLU A 87 107.846 -12.646 -8.796 1.00 0.00 C ATOM 1415 CG GLU A 87 107.092 -13.679 -9.579 1.00 0.00 C ATOM 1416 CD GLU A 87 106.765 -13.186 -10.948 1.00 0.00 C ATOM 1417 OE1 GLU A 87 107.650 -13.177 -11.823 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.632 -12.772 -11.180 1.00 0.00 O ATOM 0 H GLU A 87 109.049 -11.147 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 87 107.299 -13.164 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.251 -11.733 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.765 -12.409 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.686 -14.590 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 87 106.173 -13.938 -9.054 1.00 0.00 H new ATOM 1425 N VAL A 88 110.105 -14.440 -7.948 1.00 0.00 N ATOM 1426 CA VAL A 88 110.848 -15.686 -8.028 1.00 0.00 C ATOM 1427 C VAL A 88 111.197 -16.202 -6.627 1.00 0.00 C ATOM 1428 O VAL A 88 111.076 -17.403 -6.351 1.00 0.00 O ATOM 1429 CB VAL A 88 112.126 -15.568 -8.897 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.796 -16.923 -9.033 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.793 -15.016 -10.273 1.00 0.00 C ATOM 0 H VAL A 88 110.566 -13.641 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 88 110.195 -16.407 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 88 112.811 -14.879 -8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.692 -16.826 -9.646 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.070 -17.294 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.108 -17.624 -9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.705 -14.942 -10.866 1.00 0.00 H new ATOM 0 HG22 VAL A 88 111.089 -15.682 -10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.346 -14.027 -10.170 1.00 0.00 H new ATOM 1441 N ILE A 89 111.556 -15.289 -5.732 1.00 0.00 N ATOM 1442 CA ILE A 89 111.875 -15.657 -4.360 1.00 0.00 C ATOM 1443 C ILE A 89 110.628 -16.228 -3.674 1.00 0.00 C ATOM 1444 O ILE A 89 110.679 -17.300 -3.104 1.00 0.00 O ATOM 1445 CB ILE A 89 112.389 -14.451 -3.528 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.575 -13.777 -4.219 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.793 -14.907 -2.124 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.078 -12.547 -3.493 1.00 0.00 C ATOM 0 H ILE A 89 111.633 -14.292 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 89 112.670 -16.402 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 89 111.579 -13.726 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.390 -14.495 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.285 -13.498 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.151 -14.051 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 89 111.930 -15.344 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.586 -15.652 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.919 -12.121 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.277 -11.810 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.400 -12.823 -2.489 1.00 0.00 H new ATOM 1460 N THR A 90 109.500 -15.530 -3.798 1.00 0.00 N ATOM 1461 CA THR A 90 108.250 -15.942 -3.148 1.00 0.00 C ATOM 1462 C THR A 90 107.769 -17.318 -3.642 1.00 0.00 C ATOM 1463 O THR A 90 107.043 -18.034 -2.947 1.00 0.00 O ATOM 1464 CB THR A 90 107.101 -14.886 -3.333 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.771 -14.715 -4.722 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.479 -13.533 -2.752 1.00 0.00 C ATOM 0 H THR A 90 109.423 -14.672 -4.345 1.00 0.00 H new ATOM 0 HA THR A 90 108.482 -16.013 -2.085 1.00 0.00 H new ATOM 0 HB THR A 90 106.236 -15.275 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.460 -15.138 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.658 -12.831 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.679 -13.638 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.372 -13.158 -3.253 1.00 0.00 H new ATOM 1474 N ASN A 91 108.182 -17.677 -4.838 1.00 0.00 N ATOM 1475 CA ASN A 91 107.787 -18.933 -5.442 1.00 0.00 C ATOM 1476 C ASN A 91 108.788 -20.038 -5.157 1.00 0.00 C ATOM 1477 O ASN A 91 108.406 -21.199 -5.006 1.00 0.00 O ATOM 1478 CB ASN A 91 107.603 -18.766 -6.955 1.00 0.00 C ATOM 1479 CG ASN A 91 106.423 -17.884 -7.309 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.403 -17.889 -6.633 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.558 -17.102 -8.332 1.00 0.00 N ATOM 0 H ASN A 91 108.799 -17.109 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 91 106.836 -19.223 -4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.511 -18.339 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.467 -19.747 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.802 -16.468 -8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.420 -17.120 -8.877 1.00 0.00 H new ATOM 1488 N SER A 92 110.052 -19.687 -5.044 1.00 0.00 N ATOM 1489 CA SER A 92 111.098 -20.679 -4.876 1.00 0.00 C ATOM 1490 C SER A 92 111.852 -20.549 -3.535 1.00 0.00 C ATOM 1491 O SER A 92 112.974 -21.031 -3.402 1.00 0.00 O ATOM 1492 CB SER A 92 112.065 -20.571 -6.054 1.00 0.00 C ATOM 1493 OG SER A 92 111.370 -20.759 -7.288 1.00 0.00 O ATOM 0 H SER A 92 110.382 -18.722 -5.065 1.00 0.00 H new ATOM 0 HA SER A 92 110.628 -21.662 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.549 -19.594 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 92 112.853 -21.318 -5.956 1.00 0.00 H new ATOM 0 HG SER A 92 112.002 -20.685 -8.034 1.00 0.00 H new ATOM 1499 N ILE A 93 111.229 -19.955 -2.542 1.00 0.00 N ATOM 1500 CA ILE A 93 111.862 -19.807 -1.222 1.00 0.00 C ATOM 1501 C ILE A 93 111.785 -21.142 -0.460 1.00 0.00 C ATOM 1502 O ILE A 93 112.565 -21.408 0.461 1.00 0.00 O ATOM 1503 CB ILE A 93 111.217 -18.646 -0.384 1.00 0.00 C ATOM 1504 CG1 ILE A 93 111.948 -18.425 0.959 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.734 -18.884 -0.165 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.401 -17.997 0.803 1.00 0.00 C ATOM 0 H ILE A 93 110.289 -19.564 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 93 112.907 -19.539 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 93 111.330 -17.732 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.415 -17.666 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 93 111.911 -19.347 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.316 -18.063 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.228 -18.939 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.591 -19.821 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.848 -17.861 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.950 -18.765 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.446 -17.058 0.251 1.00 0.00 H new ATOM 1518 N THR A 94 110.828 -21.962 -0.858 1.00 0.00 N ATOM 1519 CA THR A 94 110.645 -23.308 -0.338 1.00 0.00 C ATOM 1520 C THR A 94 111.925 -24.166 -0.523 1.00 0.00 C ATOM 1521 O THR A 94 112.247 -25.021 0.322 1.00 0.00 O ATOM 1522 CB THR A 94 109.408 -23.993 -1.014 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.218 -25.329 -0.524 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.545 -24.013 -2.539 1.00 0.00 C ATOM 0 H THR A 94 110.141 -21.706 -1.567 1.00 0.00 H new ATOM 0 HA THR A 94 110.455 -23.232 0.733 1.00 0.00 H new ATOM 0 HB THR A 94 108.533 -23.399 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.439 -25.730 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.671 -24.495 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.620 -22.991 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.442 -24.567 -2.817 1.00 0.00 H new ATOM 1532 N GLN A 95 112.680 -23.895 -1.590 1.00 0.00 N ATOM 1533 CA GLN A 95 113.912 -24.613 -1.868 1.00 0.00 C ATOM 1534 C GLN A 95 115.042 -23.611 -2.109 1.00 0.00 C ATOM 1535 O GLN A 95 115.378 -23.290 -3.255 1.00 0.00 O ATOM 1536 CB GLN A 95 113.772 -25.572 -3.069 1.00 0.00 C ATOM 1537 CG GLN A 95 112.698 -26.646 -2.909 1.00 0.00 C ATOM 1538 CD GLN A 95 112.894 -27.507 -1.671 1.00 0.00 C ATOM 1539 OE1 GLN A 95 114.011 -27.729 -1.210 1.00 0.00 O ATOM 1540 NE2 GLN A 95 111.825 -27.991 -1.128 1.00 0.00 N ATOM 0 H GLN A 95 112.452 -23.176 -2.277 1.00 0.00 H new ATOM 0 HA GLN A 95 114.145 -25.229 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.549 -24.985 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.731 -26.060 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 95 111.719 -26.168 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 95 112.697 -27.285 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 95 110.911 -27.789 -1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.896 -28.574 -0.294 1.00 0.00 H new ATOM 1549 N PRO A 96 115.579 -23.036 -1.030 1.00 0.00 N ATOM 1550 CA PRO A 96 116.631 -22.040 -1.106 1.00 0.00 C ATOM 1551 C PRO A 96 118.009 -22.615 -1.438 1.00 0.00 C ATOM 1552 O PRO A 96 118.245 -23.842 -1.380 1.00 0.00 O ATOM 1553 CB PRO A 96 116.642 -21.442 0.299 1.00 0.00 C ATOM 1554 CG PRO A 96 116.188 -22.547 1.165 1.00 0.00 C ATOM 1555 CD PRO A 96 115.172 -23.287 0.358 1.00 0.00 C ATOM 0 HA PRO A 96 116.437 -21.328 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.638 -21.100 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.978 -20.581 0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.019 -23.196 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.755 -22.169 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.175 -24.352 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.163 -22.922 0.552 1.00 0.00 H new ATOM 1563 N THR A 97 118.893 -21.725 -1.779 1.00 0.00 N ATOM 1564 CA THR A 97 120.260 -22.002 -2.079 1.00 0.00 C ATOM 1565 C THR A 97 121.113 -20.926 -1.418 1.00 0.00 C ATOM 1566 O THR A 97 120.563 -20.042 -0.750 1.00 0.00 O ATOM 1567 CB THR A 97 120.495 -22.019 -3.602 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.814 -20.911 -4.223 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.035 -23.319 -4.213 1.00 0.00 C ATOM 0 H THR A 97 118.664 -20.734 -1.859 1.00 0.00 H new ATOM 0 HA THR A 97 120.532 -22.986 -1.698 1.00 0.00 H new ATOM 0 HB THR A 97 121.567 -21.924 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.972 -20.931 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.214 -23.299 -5.288 1.00 0.00 H new ATOM 0 HG22 THR A 97 120.588 -24.146 -3.768 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.970 -23.452 -4.025 1.00 0.00 H new ATOM 1577 N LEU A 98 122.420 -20.963 -1.635 1.00 0.00 N ATOM 1578 CA LEU A 98 123.353 -20.029 -0.983 1.00 0.00 C ATOM 1579 C LEU A 98 123.080 -18.576 -1.370 1.00 0.00 C ATOM 1580 O LEU A 98 123.422 -17.656 -0.642 1.00 0.00 O ATOM 1581 CB LEU A 98 124.828 -20.383 -1.270 1.00 0.00 C ATOM 1582 CG LEU A 98 125.395 -21.706 -0.709 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.232 -21.779 0.789 1.00 0.00 C ATOM 1584 CD2 LEU A 98 124.790 -22.928 -1.384 1.00 0.00 C ATOM 0 H LEU A 98 122.870 -21.632 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 98 123.179 -20.135 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.960 -20.399 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.444 -19.570 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 98 126.461 -21.712 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.640 -22.721 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 98 125.764 -20.949 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.174 -21.720 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 98 125.221 -23.832 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 98 123.711 -22.932 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 98 125.004 -22.897 -2.452 1.00 0.00 H new ATOM 1596 N HIS A 99 122.494 -18.367 -2.526 1.00 0.00 N ATOM 1597 CA HIS A 99 122.103 -17.044 -2.943 1.00 0.00 C ATOM 1598 C HIS A 99 120.683 -17.021 -3.476 1.00 0.00 C ATOM 1599 O HIS A 99 120.456 -16.745 -4.648 1.00 0.00 O ATOM 1600 CB HIS A 99 123.069 -16.403 -3.966 1.00 0.00 C ATOM 1601 CG HIS A 99 124.381 -15.929 -3.416 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.590 -16.526 -3.370 1.00 0.00 N flip ATOM 1603 CD2 HIS A 99 124.556 -14.681 -2.849 1.00 0.00 C flip ATOM 1604 CE1 HIS A 99 126.458 -15.641 -2.790 1.00 0.00 C flip ATOM 1605 NE2 HIS A 99 125.808 -14.536 -2.485 1.00 0.00 N flip ATOM 0 H HIS A 99 122.277 -19.103 -3.198 1.00 0.00 H new ATOM 0 HA HIS A 99 122.153 -16.435 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.268 -17.129 -4.754 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.565 -15.557 -4.432 1.00 0.00 H new ATOM 0 HD1 HIS A 99 125.815 -17.463 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 99 123.781 -13.939 -2.725 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.508 -15.820 -2.611 1.00 0.00 H new ATOM 1614 N SER A 100 119.720 -17.338 -2.624 1.00 0.00 N ATOM 1615 CA SER A 100 118.301 -17.216 -2.993 1.00 0.00 C ATOM 1616 C SER A 100 117.901 -15.750 -3.143 1.00 0.00 C ATOM 1617 O SER A 100 116.831 -15.420 -3.673 1.00 0.00 O ATOM 1618 CB SER A 100 117.423 -17.899 -1.952 1.00 0.00 C ATOM 1619 OG SER A 100 117.619 -19.286 -1.994 1.00 0.00 O ATOM 0 H SER A 100 119.884 -17.680 -1.677 1.00 0.00 H new ATOM 0 HA SER A 100 118.156 -17.709 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.661 -17.520 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.375 -17.666 -2.139 1.00 0.00 H new ATOM 0 HG SER A 100 117.871 -19.553 -2.902 1.00 0.00 H new ATOM 1625 N PHE A 101 118.774 -14.891 -2.684 1.00 0.00 N ATOM 1626 CA PHE A 101 118.572 -13.479 -2.728 1.00 0.00 C ATOM 1627 C PHE A 101 119.660 -12.863 -3.600 1.00 0.00 C ATOM 1628 O PHE A 101 120.034 -11.721 -3.410 1.00 0.00 O ATOM 1629 CB PHE A 101 118.665 -12.903 -1.308 1.00 0.00 C ATOM 1630 CG PHE A 101 117.841 -13.639 -0.282 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.464 -13.524 -0.259 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.457 -14.446 0.664 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.718 -14.202 0.687 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.715 -15.119 1.606 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.345 -14.996 1.616 1.00 0.00 C ATOM 0 H PHE A 101 119.661 -15.166 -2.262 1.00 0.00 H new ATOM 0 HA PHE A 101 117.588 -13.253 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.708 -12.912 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.348 -11.860 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.967 -12.899 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.532 -14.547 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.642 -14.107 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.207 -15.743 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.762 -15.524 2.355 1.00 0.00 H new ATOM 1645 N ASP A 102 120.160 -13.629 -4.570 1.00 0.00 N ATOM 1646 CA ASP A 102 121.232 -13.139 -5.456 1.00 0.00 C ATOM 1647 C ASP A 102 120.752 -11.999 -6.335 1.00 0.00 C ATOM 1648 O ASP A 102 121.390 -10.950 -6.410 1.00 0.00 O ATOM 1649 CB ASP A 102 121.791 -14.251 -6.336 1.00 0.00 C ATOM 1650 CG ASP A 102 122.852 -13.750 -7.295 1.00 0.00 C ATOM 1651 OD1 ASP A 102 122.504 -13.330 -8.412 1.00 0.00 O ATOM 1652 OD2 ASP A 102 124.050 -13.781 -6.951 1.00 0.00 O ATOM 0 H ASP A 102 119.849 -14.580 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 102 122.026 -12.775 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.215 -15.032 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.978 -14.706 -6.903 1.00 0.00 H new ATOM 1657 N ALA A 103 119.619 -12.194 -6.977 1.00 0.00 N ATOM 1658 CA ALA A 103 119.065 -11.173 -7.850 1.00 0.00 C ATOM 1659 C ALA A 103 118.667 -9.971 -7.022 1.00 0.00 C ATOM 1660 O ALA A 103 118.921 -8.824 -7.388 1.00 0.00 O ATOM 1661 CB ALA A 103 117.865 -11.712 -8.622 1.00 0.00 C ATOM 0 H ALA A 103 119.063 -13.047 -6.913 1.00 0.00 H new ATOM 0 HA ALA A 103 119.822 -10.877 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.467 -10.930 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.175 -12.562 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.094 -12.030 -7.920 1.00 0.00 H new ATOM 1667 N ALA A 104 118.094 -10.261 -5.873 1.00 0.00 N ATOM 1668 CA ALA A 104 117.648 -9.262 -4.937 1.00 0.00 C ATOM 1669 C ALA A 104 118.810 -8.445 -4.382 1.00 0.00 C ATOM 1670 O ALA A 104 118.667 -7.250 -4.142 1.00 0.00 O ATOM 1671 CB ALA A 104 116.840 -9.921 -3.841 1.00 0.00 C ATOM 0 H ALA A 104 117.924 -11.217 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 104 117.006 -8.553 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.503 -9.164 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.975 -10.421 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.459 -10.653 -3.322 1.00 0.00 H new ATOM 1677 N GLN A 105 119.953 -9.091 -4.231 1.00 0.00 N ATOM 1678 CA GLN A 105 121.192 -8.467 -3.772 1.00 0.00 C ATOM 1679 C GLN A 105 121.533 -7.332 -4.743 1.00 0.00 C ATOM 1680 O GLN A 105 121.804 -6.197 -4.338 1.00 0.00 O ATOM 1681 CB GLN A 105 122.305 -9.561 -3.750 1.00 0.00 C ATOM 1682 CG GLN A 105 123.604 -9.239 -3.001 1.00 0.00 C ATOM 1683 CD GLN A 105 124.503 -8.215 -3.659 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.576 -8.218 -4.961 1.00 0.00 O flip ATOM 1685 NE2 GLN A 105 125.193 -7.470 -2.977 1.00 0.00 N flip ATOM 0 H GLN A 105 120.053 -10.087 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 105 121.098 -8.051 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.880 -10.464 -3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.563 -9.799 -4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.348 -8.883 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.168 -10.163 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.114 -7.490 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.847 -6.829 -3.425 1.00 0.00 H new ATOM 1694 N SER A 106 121.439 -7.645 -6.024 1.00 0.00 N ATOM 1695 CA SER A 106 121.711 -6.701 -7.074 1.00 0.00 C ATOM 1696 C SER A 106 120.639 -5.590 -7.095 1.00 0.00 C ATOM 1697 O SER A 106 120.957 -4.414 -7.311 1.00 0.00 O ATOM 1698 CB SER A 106 121.780 -7.435 -8.431 1.00 0.00 C ATOM 1699 OG SER A 106 122.155 -6.558 -9.490 1.00 0.00 O ATOM 0 H SER A 106 121.169 -8.570 -6.358 1.00 0.00 H new ATOM 0 HA SER A 106 122.675 -6.227 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 106 122.497 -8.253 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.810 -7.879 -8.654 1.00 0.00 H new ATOM 0 HG SER A 106 122.190 -7.058 -10.332 1.00 0.00 H new ATOM 1705 N ARG A 107 119.380 -5.959 -6.833 1.00 0.00 N ATOM 1706 CA ARG A 107 118.282 -4.990 -6.849 1.00 0.00 C ATOM 1707 C ARG A 107 118.460 -3.963 -5.749 1.00 0.00 C ATOM 1708 O ARG A 107 118.280 -2.787 -5.965 1.00 0.00 O ATOM 1709 CB ARG A 107 116.909 -5.650 -6.702 1.00 0.00 C ATOM 1710 CG ARG A 107 116.629 -6.796 -7.657 1.00 0.00 C ATOM 1711 CD ARG A 107 116.845 -6.429 -9.117 1.00 0.00 C ATOM 1712 NE ARG A 107 116.665 -7.598 -9.980 1.00 0.00 N ATOM 1713 CZ ARG A 107 117.491 -7.959 -10.984 1.00 0.00 C ATOM 1714 NH1 ARG A 107 118.562 -7.223 -11.280 1.00 0.00 N ATOM 1715 NH2 ARG A 107 117.242 -9.057 -11.686 1.00 0.00 N ATOM 0 H ARG A 107 119.099 -6.914 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 107 118.317 -4.504 -7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.810 -6.019 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.142 -4.888 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.273 -7.638 -7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.600 -7.129 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 107 116.144 -5.646 -9.407 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.848 -6.024 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 107 115.850 -8.187 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 107 118.764 -6.378 -10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 107 119.180 -7.505 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 107 116.426 -9.628 -11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 107 117.867 -9.330 -12.445 1.00 0.00 H new ATOM 1729 N VAL A 108 118.846 -4.411 -4.588 1.00 0.00 N ATOM 1730 CA VAL A 108 119.042 -3.515 -3.464 1.00 0.00 C ATOM 1731 C VAL A 108 120.254 -2.633 -3.680 1.00 0.00 C ATOM 1732 O VAL A 108 120.240 -1.434 -3.357 1.00 0.00 O ATOM 1733 CB VAL A 108 119.135 -4.289 -2.154 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.377 -3.356 -0.992 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.848 -5.033 -1.955 1.00 0.00 C ATOM 0 H VAL A 108 119.034 -5.393 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 108 118.171 -2.864 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 108 119.973 -4.984 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.439 -3.933 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.312 -2.817 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.555 -2.644 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.893 -5.595 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.021 -4.324 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.694 -5.722 -2.786 1.00 0.00 H new ATOM 1745 N TYR A 109 121.282 -3.219 -4.254 1.00 0.00 N ATOM 1746 CA TYR A 109 122.462 -2.492 -4.643 1.00 0.00 C ATOM 1747 C TYR A 109 122.081 -1.323 -5.565 1.00 0.00 C ATOM 1748 O TYR A 109 122.416 -0.176 -5.283 1.00 0.00 O ATOM 1749 CB TYR A 109 123.471 -3.467 -5.311 1.00 0.00 C ATOM 1750 CG TYR A 109 124.505 -2.836 -6.239 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.159 -2.474 -7.530 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.803 -2.595 -5.830 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.043 -1.897 -8.375 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.715 -2.004 -6.682 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.321 -1.657 -7.960 1.00 0.00 C ATOM 1756 OH TYR A 109 127.199 -1.036 -8.818 1.00 0.00 O ATOM 0 H TYR A 109 121.319 -4.217 -4.463 1.00 0.00 H new ATOM 0 HA TYR A 109 122.945 -2.062 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.000 -4.005 -4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.907 -4.207 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.152 -2.658 -7.873 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.108 -2.872 -4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.739 -1.627 -9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.726 -1.815 -6.353 1.00 0.00 H new ATOM 0 HH TYR A 109 126.839 -0.163 -9.079 1.00 0.00 H new ATOM 1766 N GLN A 110 121.330 -1.614 -6.636 1.00 0.00 N ATOM 1767 CA GLN A 110 120.964 -0.580 -7.602 1.00 0.00 C ATOM 1768 C GLN A 110 120.052 0.480 -6.981 1.00 0.00 C ATOM 1769 O GLN A 110 120.142 1.650 -7.354 1.00 0.00 O ATOM 1770 CB GLN A 110 120.325 -1.142 -8.887 1.00 0.00 C ATOM 1771 CG GLN A 110 119.039 -1.890 -8.653 1.00 0.00 C ATOM 1772 CD GLN A 110 118.177 -2.042 -9.880 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.199 -1.213 -10.780 1.00 0.00 O ATOM 1774 NE2 GLN A 110 117.378 -3.063 -9.914 1.00 0.00 N ATOM 0 H GLN A 110 120.970 -2.544 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 110 121.905 -0.111 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.135 -0.319 -9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.038 -1.808 -9.374 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.274 -2.881 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.467 -1.373 -7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.381 -3.739 -9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 110 116.747 -3.190 -10.705 1.00 0.00 H new ATOM 1783 N LEU A 111 119.199 0.061 -6.025 1.00 0.00 N ATOM 1784 CA LEU A 111 118.273 0.962 -5.318 1.00 0.00 C ATOM 1785 C LEU A 111 119.018 2.105 -4.691 1.00 0.00 C ATOM 1786 O LEU A 111 118.774 3.268 -5.008 1.00 0.00 O ATOM 1787 CB LEU A 111 117.524 0.228 -4.198 1.00 0.00 C ATOM 1788 CG LEU A 111 116.560 -0.865 -4.600 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.010 -1.551 -3.362 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.436 -0.297 -5.453 1.00 0.00 C ATOM 0 H LEU A 111 119.134 -0.911 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 111 117.564 1.328 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.265 -0.207 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 111 116.970 0.969 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 111 117.092 -1.605 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.316 -2.337 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.831 -1.988 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.488 -0.821 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.752 -1.098 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.895 0.460 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.854 0.154 -6.353 1.00 0.00 H new ATOM 1802 N MET A 112 119.950 1.764 -3.825 1.00 0.00 N ATOM 1803 CA MET A 112 120.707 2.756 -3.097 1.00 0.00 C ATOM 1804 C MET A 112 121.820 3.354 -3.929 1.00 0.00 C ATOM 1805 O MET A 112 122.329 4.406 -3.593 1.00 0.00 O ATOM 1806 CB MET A 112 121.203 2.228 -1.745 1.00 0.00 C ATOM 1807 CG MET A 112 121.928 0.910 -1.821 1.00 0.00 C ATOM 1808 SD MET A 112 122.436 0.299 -0.219 1.00 0.00 S ATOM 1809 CE MET A 112 122.953 -1.339 -0.679 1.00 0.00 C ATOM 0 H MET A 112 120.201 0.799 -3.609 1.00 0.00 H new ATOM 0 HA MET A 112 120.020 3.572 -2.875 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.867 2.969 -1.300 1.00 0.00 H new ATOM 0 HB3 MET A 112 120.350 2.122 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.281 0.173 -2.297 1.00 0.00 H new ATOM 0 HG3 MET A 112 122.806 1.021 -2.457 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.746 -2.029 0.139 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.408 -1.656 -1.568 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.022 -1.337 -0.891 1.00 0.00 H new ATOM 1819 N GLU A 113 122.193 2.688 -5.018 1.00 0.00 N ATOM 1820 CA GLU A 113 123.158 3.252 -5.949 1.00 0.00 C ATOM 1821 C GLU A 113 122.563 4.519 -6.549 1.00 0.00 C ATOM 1822 O GLU A 113 122.928 5.631 -6.172 1.00 0.00 O ATOM 1823 CB GLU A 113 123.500 2.253 -7.076 1.00 0.00 C ATOM 1824 CG GLU A 113 124.508 2.784 -8.093 1.00 0.00 C ATOM 1825 CD GLU A 113 124.816 1.802 -9.201 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.984 1.634 -10.111 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.909 1.211 -9.211 1.00 0.00 O ATOM 0 H GLU A 113 121.844 1.765 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 113 124.080 3.476 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.896 1.340 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.582 1.981 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.121 3.705 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.433 3.040 -7.577 1.00 0.00 H new ATOM 1834 N GLN A 114 121.515 4.335 -7.332 1.00 0.00 N ATOM 1835 CA GLN A 114 120.888 5.423 -8.088 1.00 0.00 C ATOM 1836 C GLN A 114 120.115 6.394 -7.182 1.00 0.00 C ATOM 1837 O GLN A 114 119.435 7.302 -7.665 1.00 0.00 O ATOM 1838 CB GLN A 114 119.949 4.842 -9.152 1.00 0.00 C ATOM 1839 CG GLN A 114 118.759 4.084 -8.580 1.00 0.00 C ATOM 1840 CD GLN A 114 117.915 3.407 -9.637 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.817 3.865 -10.777 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.299 2.316 -9.271 1.00 0.00 N ATOM 0 H GLN A 114 121.068 3.428 -7.467 1.00 0.00 H new ATOM 0 HA GLN A 114 121.686 5.991 -8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.582 5.654 -9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.518 4.172 -9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.120 3.333 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.134 4.776 -8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.404 1.966 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.713 1.813 -9.937 1.00 0.00 H new ATOM 1851 N ASP A 115 120.237 6.221 -5.890 1.00 0.00 N ATOM 1852 CA ASP A 115 119.542 7.047 -4.947 1.00 0.00 C ATOM 1853 C ASP A 115 120.499 7.595 -3.894 1.00 0.00 C ATOM 1854 O ASP A 115 120.937 8.724 -3.994 1.00 0.00 O ATOM 1855 CB ASP A 115 118.384 6.275 -4.309 1.00 0.00 C ATOM 1856 CG ASP A 115 117.549 7.101 -3.371 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.850 8.035 -3.833 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.522 6.809 -2.169 1.00 0.00 O ATOM 0 H ASP A 115 120.823 5.501 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 115 119.121 7.900 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.744 5.880 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.785 5.419 -3.766 1.00 0.00 H new ATOM 1863 N SER A 116 120.886 6.771 -2.950 1.00 0.00 N ATOM 1864 CA SER A 116 121.712 7.203 -1.832 1.00 0.00 C ATOM 1865 C SER A 116 123.164 7.558 -2.251 1.00 0.00 C ATOM 1866 O SER A 116 123.767 8.473 -1.685 1.00 0.00 O ATOM 1867 CB SER A 116 121.714 6.107 -0.767 1.00 0.00 C ATOM 1868 OG SER A 116 120.381 5.692 -0.461 1.00 0.00 O ATOM 0 H SER A 116 120.641 5.781 -2.929 1.00 0.00 H new ATOM 0 HA SER A 116 121.280 8.121 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.293 5.253 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.202 6.473 0.136 1.00 0.00 H new ATOM 0 HG SER A 116 120.101 6.091 0.389 1.00 0.00 H new ATOM 1874 N TYR A 117 123.691 6.882 -3.279 1.00 0.00 N ATOM 1875 CA TYR A 117 125.088 7.042 -3.704 1.00 0.00 C ATOM 1876 C TYR A 117 125.378 8.444 -4.223 1.00 0.00 C ATOM 1877 O TYR A 117 126.480 8.966 -4.043 1.00 0.00 O ATOM 1878 CB TYR A 117 125.381 5.959 -4.722 1.00 0.00 C ATOM 1879 CG TYR A 117 126.642 6.031 -5.547 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.897 5.794 -5.012 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.544 6.248 -6.908 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.017 5.776 -5.828 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.646 6.246 -7.714 1.00 0.00 C ATOM 1884 CZ TYR A 117 128.872 6.006 -7.181 1.00 0.00 C ATOM 1885 OH TYR A 117 129.957 5.971 -8.002 1.00 0.00 O ATOM 0 H TYR A 117 123.164 6.211 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 117 125.757 6.928 -2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.393 5.007 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.540 5.927 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.004 5.622 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.572 6.423 -7.345 1.00 0.00 H new ATOM 0 HE1 TYR A 117 129.994 5.584 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.543 6.435 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 117 130.747 5.700 -7.489 1.00 0.00 H new ATOM 1895 N THR A 118 124.383 9.064 -4.797 1.00 0.00 N ATOM 1896 CA THR A 118 124.537 10.411 -5.312 1.00 0.00 C ATOM 1897 C THR A 118 124.766 11.404 -4.144 1.00 0.00 C ATOM 1898 O THR A 118 125.804 12.104 -4.082 1.00 0.00 O ATOM 1899 CB THR A 118 123.315 10.832 -6.174 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.113 10.790 -5.381 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.162 9.908 -7.375 1.00 0.00 C ATOM 0 H THR A 118 123.453 8.664 -4.923 1.00 0.00 H new ATOM 0 HA THR A 118 125.412 10.431 -5.962 1.00 0.00 H new ATOM 0 HB THR A 118 123.481 11.849 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.925 9.864 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.301 10.219 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.061 9.958 -7.989 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.015 8.885 -7.030 1.00 0.00 H new ATOM 1909 N ARG A 119 123.840 11.401 -3.171 1.00 0.00 N ATOM 1910 CA ARG A 119 123.974 12.274 -2.010 1.00 0.00 C ATOM 1911 C ARG A 119 125.193 11.881 -1.191 1.00 0.00 C ATOM 1912 O ARG A 119 125.826 12.731 -0.568 1.00 0.00 O ATOM 1913 CB ARG A 119 122.723 12.332 -1.105 1.00 0.00 C ATOM 1914 CG ARG A 119 121.462 12.923 -1.726 1.00 0.00 C ATOM 1915 CD ARG A 119 120.616 11.883 -2.431 1.00 0.00 C ATOM 1916 NE ARG A 119 120.115 10.856 -1.497 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.140 9.976 -1.770 1.00 0.00 C ATOM 1918 NH1 ARG A 119 118.377 10.131 -2.855 1.00 0.00 N ATOM 1919 NH2 ARG A 119 118.893 8.978 -0.925 1.00 0.00 N ATOM 0 H ARG A 119 123.007 10.812 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 119 124.096 13.279 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.497 11.320 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.971 12.913 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 119 120.868 13.402 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.742 13.701 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.773 12.371 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 119 121.205 11.405 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 119 120.543 10.812 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 119 118.534 10.921 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 119 117.637 9.459 -3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 119 119.444 8.884 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 119 118.152 8.308 -1.130 1.00 0.00 H new ATOM 1933 N PHE A 120 125.523 10.591 -1.200 1.00 0.00 N ATOM 1934 CA PHE A 120 126.722 10.095 -0.550 1.00 0.00 C ATOM 1935 C PHE A 120 127.939 10.810 -1.084 1.00 0.00 C ATOM 1936 O PHE A 120 128.700 11.375 -0.318 1.00 0.00 O ATOM 1937 CB PHE A 120 126.880 8.568 -0.711 1.00 0.00 C ATOM 1938 CG PHE A 120 128.268 8.067 -0.385 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.727 8.005 0.921 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.120 7.682 -1.405 1.00 0.00 C ATOM 1941 CE1 PHE A 120 130.012 7.570 1.191 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.393 7.246 -1.135 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.840 7.190 0.162 1.00 0.00 C ATOM 0 H PHE A 120 124.967 9.868 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 120 126.625 10.299 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.160 8.066 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.634 8.292 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 120 128.078 8.298 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.778 7.725 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.365 7.529 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.044 6.947 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.842 6.847 0.374 1.00 0.00 H new ATOM 1953 N LEU A 121 128.079 10.841 -2.397 1.00 0.00 N ATOM 1954 CA LEU A 121 129.225 11.484 -3.035 1.00 0.00 C ATOM 1955 C LEU A 121 129.248 12.982 -2.767 1.00 0.00 C ATOM 1956 O LEU A 121 130.283 13.629 -2.874 1.00 0.00 O ATOM 1957 CB LEU A 121 129.224 11.238 -4.543 1.00 0.00 C ATOM 1958 CG LEU A 121 129.331 9.785 -5.000 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.294 9.717 -6.510 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.602 9.144 -4.470 1.00 0.00 C ATOM 0 H LEU A 121 127.413 10.428 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 121 130.120 11.039 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.307 11.658 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 121 130.054 11.794 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 121 128.482 9.231 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.371 8.678 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.356 10.139 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.129 10.285 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.656 8.109 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.468 9.693 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.595 9.169 -3.380 1.00 0.00 H new ATOM 1972 N LYS A 122 128.112 13.532 -2.442 1.00 0.00 N ATOM 1973 CA LYS A 122 128.039 14.951 -2.183 1.00 0.00 C ATOM 1974 C LYS A 122 127.997 15.281 -0.682 1.00 0.00 C ATOM 1975 O LYS A 122 127.955 16.461 -0.309 1.00 0.00 O ATOM 1976 CB LYS A 122 126.827 15.536 -2.897 1.00 0.00 C ATOM 1977 CG LYS A 122 126.768 15.184 -4.382 1.00 0.00 C ATOM 1978 CD LYS A 122 128.001 15.662 -5.141 1.00 0.00 C ATOM 1979 CE LYS A 122 128.085 17.171 -5.195 1.00 0.00 C ATOM 1980 NZ LYS A 122 126.888 17.785 -5.820 1.00 0.00 N ATOM 0 H LYS A 122 127.229 13.029 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 122 128.951 15.404 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.920 15.178 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.840 16.621 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.672 14.104 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 122 125.877 15.630 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.897 15.266 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 122 127.979 15.264 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 122 128.204 17.561 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.973 17.462 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 127.093 18.775 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 126.638 17.260 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 126.092 17.752 -5.152 1.00 0.00 H new ATOM 1994 N SER A 123 128.025 14.268 0.171 1.00 0.00 N ATOM 1995 CA SER A 123 127.947 14.488 1.604 1.00 0.00 C ATOM 1996 C SER A 123 129.303 14.903 2.159 1.00 0.00 C ATOM 1997 O SER A 123 130.345 14.659 1.529 1.00 0.00 O ATOM 1998 CB SER A 123 127.498 13.207 2.306 1.00 0.00 C ATOM 1999 OG SER A 123 128.472 12.174 2.161 1.00 0.00 O ATOM 0 H SER A 123 128.101 13.289 -0.105 1.00 0.00 H new ATOM 0 HA SER A 123 127.225 15.284 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.331 13.408 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.547 12.875 1.890 1.00 0.00 H new ATOM 0 HG SER A 123 128.559 11.937 1.214 1.00 0.00 H new ATOM 2005 N ASP A 124 129.304 15.458 3.368 1.00 0.00 N ATOM 2006 CA ASP A 124 130.550 15.844 4.038 1.00 0.00 C ATOM 2007 C ASP A 124 131.362 14.598 4.350 1.00 0.00 C ATOM 2008 O ASP A 124 132.561 14.665 4.563 1.00 0.00 O ATOM 2009 CB ASP A 124 130.308 16.658 5.335 1.00 0.00 C ATOM 2010 CG ASP A 124 129.659 15.872 6.470 1.00 0.00 C ATOM 2011 OD1 ASP A 124 130.375 15.129 7.183 1.00 0.00 O ATOM 2012 OD2 ASP A 124 128.425 16.009 6.676 1.00 0.00 O ATOM 0 H ASP A 124 128.459 15.652 3.906 1.00 0.00 H new ATOM 0 HA ASP A 124 131.099 16.494 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 124 131.263 17.052 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.677 17.515 5.098 1.00 0.00 H new ATOM 2017 N ILE A 125 130.674 13.465 4.353 1.00 0.00 N ATOM 2018 CA ILE A 125 131.259 12.158 4.528 1.00 0.00 C ATOM 2019 C ILE A 125 132.247 11.863 3.377 1.00 0.00 C ATOM 2020 O ILE A 125 133.457 11.664 3.601 1.00 0.00 O ATOM 2021 CB ILE A 125 130.136 11.045 4.609 1.00 0.00 C ATOM 2022 CG1 ILE A 125 129.482 10.945 6.007 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.594 9.690 4.102 1.00 0.00 C ATOM 2024 CD1 ILE A 125 128.645 12.143 6.415 1.00 0.00 C ATOM 0 H ILE A 125 129.662 13.437 4.229 1.00 0.00 H new ATOM 0 HA ILE A 125 131.808 12.144 5.469 1.00 0.00 H new ATOM 0 HB ILE A 125 129.358 11.382 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 125 128.852 10.056 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 125 130.268 10.801 6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.776 8.975 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.896 9.775 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 125 131.440 9.346 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 125 128.231 11.976 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 125 129.270 13.036 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 125 127.832 12.279 5.701 1.00 0.00 H new ATOM 2036 N TYR A 126 131.746 11.877 2.159 1.00 0.00 N ATOM 2037 CA TYR A 126 132.578 11.592 1.008 1.00 0.00 C ATOM 2038 C TYR A 126 133.588 12.712 0.765 1.00 0.00 C ATOM 2039 O TYR A 126 134.738 12.457 0.393 1.00 0.00 O ATOM 2040 CB TYR A 126 131.729 11.333 -0.218 1.00 0.00 C ATOM 2041 CG TYR A 126 132.504 10.951 -1.447 1.00 0.00 C ATOM 2042 CD1 TYR A 126 132.965 9.653 -1.629 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.768 11.883 -2.422 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.668 9.298 -2.755 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.453 11.551 -3.548 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.902 10.270 -3.725 1.00 0.00 C ATOM 2047 OH TYR A 126 134.582 9.962 -4.872 1.00 0.00 O ATOM 0 H TYR A 126 130.771 12.082 1.941 1.00 0.00 H new ATOM 0 HA TYR A 126 133.145 10.685 1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.019 10.538 0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 126 131.146 12.228 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 126 132.767 8.909 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 126 132.425 12.899 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.031 8.289 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.643 12.299 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 126 134.894 9.034 -4.828 1.00 0.00 H new ATOM 2057 N LEU A 127 133.181 13.942 1.013 1.00 0.00 N ATOM 2058 CA LEU A 127 134.094 15.067 0.878 1.00 0.00 C ATOM 2059 C LEU A 127 135.238 14.993 1.903 1.00 0.00 C ATOM 2060 O LEU A 127 136.327 15.519 1.669 1.00 0.00 O ATOM 2061 CB LEU A 127 133.361 16.429 0.912 1.00 0.00 C ATOM 2062 CG LEU A 127 132.705 16.917 -0.416 1.00 0.00 C ATOM 2063 CD1 LEU A 127 133.755 17.095 -1.498 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.596 15.986 -0.904 1.00 0.00 C ATOM 0 H LEU A 127 132.236 14.189 1.306 1.00 0.00 H new ATOM 0 HA LEU A 127 134.546 14.992 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.583 16.375 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 127 134.073 17.188 1.236 1.00 0.00 H new ATOM 0 HG LEU A 127 132.243 17.880 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.277 17.436 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.489 17.834 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 127 134.254 16.143 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.176 16.375 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.007 14.992 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 127 130.813 15.925 -0.148 1.00 0.00 H new ATOM 2076 N ASP A 128 134.995 14.304 3.019 1.00 0.00 N ATOM 2077 CA ASP A 128 136.030 14.050 4.042 1.00 0.00 C ATOM 2078 C ASP A 128 137.002 12.986 3.561 1.00 0.00 C ATOM 2079 O ASP A 128 138.185 13.015 3.904 1.00 0.00 O ATOM 2080 CB ASP A 128 135.390 13.637 5.378 1.00 0.00 C ATOM 2081 CG ASP A 128 136.373 13.156 6.439 1.00 0.00 C ATOM 2082 OD1 ASP A 128 137.301 13.915 6.828 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.186 12.027 6.948 1.00 0.00 O ATOM 0 H ASP A 128 134.084 13.905 3.245 1.00 0.00 H new ATOM 0 HA ASP A 128 136.584 14.975 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.835 14.486 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.666 12.844 5.188 1.00 0.00 H new ATOM 2088 N LEU A 129 136.509 12.051 2.744 1.00 0.00 N ATOM 2089 CA LEU A 129 137.385 11.022 2.150 1.00 0.00 C ATOM 2090 C LEU A 129 138.346 11.702 1.194 1.00 0.00 C ATOM 2091 O LEU A 129 139.474 11.254 0.994 1.00 0.00 O ATOM 2092 CB LEU A 129 136.586 9.959 1.373 1.00 0.00 C ATOM 2093 CG LEU A 129 135.340 9.414 2.070 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.608 8.479 1.148 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.701 8.706 3.372 1.00 0.00 C ATOM 0 H LEU A 129 135.527 11.980 2.479 1.00 0.00 H new ATOM 0 HA LEU A 129 137.914 10.519 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.285 10.387 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.250 9.123 1.153 1.00 0.00 H new ATOM 0 HG LEU A 129 134.690 10.253 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.721 8.094 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.311 9.015 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.261 7.649 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 129 134.794 8.329 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.372 7.874 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.195 9.408 4.043 1.00 0.00 H new ATOM 2107 N MET A 130 137.876 12.795 0.615 1.00 0.00 N ATOM 2108 CA MET A 130 138.676 13.596 -0.279 1.00 0.00 C ATOM 2109 C MET A 130 139.591 14.551 0.479 1.00 0.00 C ATOM 2110 O MET A 130 140.652 14.156 0.955 1.00 0.00 O ATOM 2111 CB MET A 130 137.804 14.397 -1.273 1.00 0.00 C ATOM 2112 CG MET A 130 137.077 13.561 -2.276 1.00 0.00 C ATOM 2113 SD MET A 130 138.214 12.567 -3.212 1.00 0.00 S ATOM 2114 CE MET A 130 137.043 11.655 -4.141 1.00 0.00 C ATOM 0 H MET A 130 136.929 13.146 0.755 1.00 0.00 H new ATOM 0 HA MET A 130 139.292 12.895 -0.843 1.00 0.00 H new ATOM 0 HB2 MET A 130 137.076 14.980 -0.709 1.00 0.00 H new ATOM 0 HB3 MET A 130 138.439 15.107 -1.803 1.00 0.00 H new ATOM 0 HG2 MET A 130 136.358 12.918 -1.768 1.00 0.00 H new ATOM 0 HG3 MET A 130 136.510 14.204 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 130 137.538 10.813 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.262 11.284 -3.478 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.599 12.299 -4.900 1.00 0.00 H new