USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 811 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 54 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Set 1.2: A 55 ASN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.3) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00164 USER MOD Single : A 4 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.5!) USER MOD Single : A 6 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-0.76) USER MOD Single : A 7 TYR OH : rot 70:sc= -1.49 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.746 K(o=-0.75,f=-2.7) USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 24 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 31 THR OG1 : rot 97:sc= 0.0541 USER MOD Single : A 42 SER OG : rot 133:sc= 1.44 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.37 K(o=-1.4,f=-11!) USER MOD Single : A 61 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.5) USER MOD Single : A 62 SER OG : rot -84:sc= -0.478 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.26) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.086) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 3.553 -0.243 -1.041 1.00 22.21 C ATOM 4 O GLY A 1 4.358 0.684 -1.115 1.00 40.14 O ATOM 0 H1 GLY A 1 0.323 0.171 -0.195 1.00 13.00 H new ATOM 0 H2 GLY A 1 1.441 -0.922 0.469 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.695 0.750 0.621 1.00 13.00 H new ATOM 0 HA2 GLY A 1 1.668 -0.768 -1.906 1.00 45.03 H new ATOM 0 HA3 GLY A 1 1.930 0.958 -1.749 1.00 45.03 H new ATOM 8 N ASN A 2 3.914 -1.495 -0.779 1.00 21.22 N ATOM 9 CA ASN A 2 5.309 -1.858 -0.558 1.00 64.24 C ATOM 10 C ASN A 2 5.799 -2.817 -1.639 1.00 43.25 C ATOM 11 O ASN A 2 5.708 -4.035 -1.491 1.00 22.42 O ATOM 12 CB ASN A 2 5.480 -2.497 0.821 1.00 31.42 C ATOM 13 CG ASN A 2 4.585 -1.861 1.868 1.00 65.33 C ATOM 14 OD1 ASN A 2 3.467 -2.318 2.105 1.00 23.23 O ATOM 15 ND2 ASN A 2 5.075 -0.801 2.499 1.00 45.32 N ATOM 0 H ASN A 2 3.260 -2.275 -0.715 1.00 21.22 H new ATOM 0 HA ASN A 2 5.907 -0.948 -0.606 1.00 64.24 H new ATOM 0 HB2 ASN A 2 5.257 -3.562 0.755 1.00 31.42 H new ATOM 0 HB3 ASN A 2 6.520 -2.408 1.133 1.00 31.42 H new ATOM 0 HD21 ASN A 2 4.519 -0.331 3.213 1.00 45.32 H new ATOM 0 HD22 ASN A 2 6.007 -0.457 2.270 1.00 45.32 H new ATOM 22 N SER A 3 6.320 -2.257 -2.727 1.00 72.41 N ATOM 23 CA SER A 3 6.822 -3.062 -3.835 1.00 13.01 C ATOM 24 C SER A 3 8.318 -2.839 -4.034 1.00 53.12 C ATOM 25 O SER A 3 9.049 -3.759 -4.399 1.00 4.31 O ATOM 26 CB SER A 3 6.068 -2.722 -5.122 1.00 71.22 C ATOM 27 OG SER A 3 6.639 -1.596 -5.766 1.00 23.42 O ATOM 0 H SER A 3 6.405 -1.250 -2.865 1.00 72.41 H new ATOM 0 HA SER A 3 6.658 -4.112 -3.593 1.00 13.01 H new ATOM 0 HB2 SER A 3 6.088 -3.579 -5.796 1.00 71.22 H new ATOM 0 HB3 SER A 3 5.022 -2.521 -4.892 1.00 71.22 H new ATOM 0 HG SER A 3 6.140 -1.401 -6.587 1.00 23.42 H new ATOM 33 N GLN A 4 8.764 -1.610 -3.792 1.00 72.51 N ATOM 34 CA GLN A 4 10.172 -1.266 -3.946 1.00 3.34 C ATOM 35 C GLN A 4 10.946 -1.552 -2.663 1.00 32.32 C ATOM 36 O GLN A 4 11.015 -0.710 -1.767 1.00 71.12 O ATOM 37 CB GLN A 4 10.320 0.209 -4.326 1.00 33.45 C ATOM 38 CG GLN A 4 9.978 0.500 -5.778 1.00 32.22 C ATOM 39 CD GLN A 4 10.392 1.894 -6.207 1.00 31.42 C ATOM 40 OE1 GLN A 4 11.195 2.548 -5.541 1.00 34.14 O ATOM 41 NE2 GLN A 4 9.845 2.356 -7.325 1.00 41.10 N ATOM 0 H GLN A 4 8.171 -0.837 -3.489 1.00 72.51 H new ATOM 0 HA GLN A 4 10.585 -1.883 -4.744 1.00 3.34 H new ATOM 0 HB2 GLN A 4 9.676 0.808 -3.682 1.00 33.45 H new ATOM 0 HB3 GLN A 4 11.345 0.524 -4.133 1.00 33.45 H new ATOM 0 HG2 GLN A 4 10.469 -0.234 -6.417 1.00 32.22 H new ATOM 0 HG3 GLN A 4 8.904 0.383 -5.925 1.00 32.22 H new ATOM 0 HE21 GLN A 4 9.184 1.779 -7.845 1.00 41.10 H new ATOM 0 HE22 GLN A 4 10.086 3.288 -7.664 1.00 41.10 H new ATOM 50 N ILE A 5 11.525 -2.745 -2.581 1.00 62.23 N ATOM 51 CA ILE A 5 12.294 -3.142 -1.408 1.00 41.22 C ATOM 52 C ILE A 5 13.639 -3.740 -1.808 1.00 55.15 C ATOM 53 O ILE A 5 13.735 -4.475 -2.791 1.00 60.45 O ATOM 54 CB ILE A 5 11.525 -4.164 -0.550 1.00 43.12 C ATOM 55 CG1 ILE A 5 10.069 -3.727 -0.380 1.00 10.53 C ATOM 56 CG2 ILE A 5 12.196 -4.329 0.805 1.00 25.30 C ATOM 57 CD1 ILE A 5 9.916 -2.395 0.321 1.00 2.14 C ATOM 0 H ILE A 5 11.476 -3.454 -3.313 1.00 62.23 H new ATOM 0 HA ILE A 5 12.461 -2.239 -0.820 1.00 41.22 H new ATOM 0 HB ILE A 5 11.538 -5.127 -1.060 1.00 43.12 H new ATOM 0 HG12 ILE A 5 9.599 -3.668 -1.362 1.00 10.53 H new ATOM 0 HG13 ILE A 5 9.533 -4.490 0.185 1.00 10.53 H new ATOM 0 HG21 ILE A 5 11.641 -5.054 1.400 1.00 25.30 H new ATOM 0 HG22 ILE A 5 13.218 -4.681 0.664 1.00 25.30 H new ATOM 0 HG23 ILE A 5 12.211 -3.370 1.323 1.00 25.30 H new ATOM 0 HD11 ILE A 5 8.858 -2.148 0.407 1.00 2.14 H new ATOM 0 HD12 ILE A 5 10.356 -2.455 1.316 1.00 2.14 H new ATOM 0 HD13 ILE A 5 10.423 -1.621 -0.254 1.00 2.14 H new ATOM 69 N HIS A 6 14.675 -3.421 -1.039 1.00 54.12 N ATOM 70 CA HIS A 6 16.014 -3.929 -1.312 1.00 44.21 C ATOM 71 C HIS A 6 16.721 -4.322 -0.018 1.00 14.31 C ATOM 72 O HIS A 6 16.457 -3.753 1.042 1.00 43.32 O ATOM 73 CB HIS A 6 16.839 -2.879 -2.058 1.00 74.11 C ATOM 74 CG HIS A 6 16.826 -1.532 -1.404 1.00 13.20 C ATOM 75 ND1 HIS A 6 15.738 -0.686 -1.445 1.00 52.41 N ATOM 76 CD2 HIS A 6 17.776 -0.886 -0.688 1.00 72.11 C ATOM 77 CE1 HIS A 6 16.020 0.423 -0.784 1.00 52.14 C ATOM 78 NE2 HIS A 6 17.251 0.326 -0.315 1.00 15.53 N ATOM 0 H HIS A 6 14.613 -2.813 -0.222 1.00 54.12 H new ATOM 0 HA HIS A 6 15.918 -4.817 -1.937 1.00 44.21 H new ATOM 0 HB2 HIS A 6 17.869 -3.226 -2.136 1.00 74.11 H new ATOM 0 HB3 HIS A 6 16.457 -2.784 -3.075 1.00 74.11 H new ATOM 0 HD2 HIS A 6 18.763 -1.256 -0.454 1.00 72.11 H new ATOM 0 HE1 HIS A 6 15.357 1.265 -0.650 1.00 52.14 H new ATOM 0 HE2 HIS A 6 17.733 1.037 0.235 1.00 15.53 H new ATOM 86 N TYR A 7 17.617 -5.297 -0.112 1.00 20.34 N ATOM 87 CA TYR A 7 18.358 -5.768 1.052 1.00 24.41 C ATOM 88 C TYR A 7 19.862 -5.661 0.820 1.00 45.00 C ATOM 89 O TYR A 7 20.311 -5.345 -0.282 1.00 71.10 O ATOM 90 CB TYR A 7 17.982 -7.216 1.371 1.00 65.53 C ATOM 91 CG TYR A 7 16.495 -7.483 1.312 1.00 2.34 C ATOM 92 CD1 TYR A 7 15.584 -6.560 1.810 1.00 0.32 C ATOM 93 CD2 TYR A 7 16.001 -8.657 0.758 1.00 23.54 C ATOM 94 CE1 TYR A 7 14.225 -6.799 1.760 1.00 75.43 C ATOM 95 CE2 TYR A 7 14.643 -8.905 0.702 1.00 3.12 C ATOM 96 CZ TYR A 7 13.759 -7.973 1.205 1.00 61.24 C ATOM 97 OH TYR A 7 12.405 -8.215 1.151 1.00 5.01 O ATOM 0 H TYR A 7 17.848 -5.777 -0.982 1.00 20.34 H new ATOM 0 HA TYR A 7 18.093 -5.136 1.899 1.00 24.41 H new ATOM 0 HB2 TYR A 7 18.489 -7.877 0.669 1.00 65.53 H new ATOM 0 HB3 TYR A 7 18.348 -7.467 2.367 1.00 65.53 H new ATOM 0 HD1 TYR A 7 15.945 -5.639 2.244 1.00 0.32 H new ATOM 0 HD2 TYR A 7 16.691 -9.389 0.364 1.00 23.54 H new ATOM 0 HE1 TYR A 7 13.531 -6.071 2.153 1.00 75.43 H new ATOM 0 HE2 TYR A 7 14.276 -9.823 0.267 1.00 3.12 H new ATOM 0 HH TYR A 7 11.990 -7.611 0.500 1.00 5.01 H new ATOM 107 N SER A 8 20.637 -5.927 1.867 1.00 13.12 N ATOM 108 CA SER A 8 22.091 -5.857 1.780 1.00 33.41 C ATOM 109 C SER A 8 22.729 -7.135 2.317 1.00 13.15 C ATOM 110 O SER A 8 22.486 -7.530 3.458 1.00 22.22 O ATOM 111 CB SER A 8 22.612 -4.647 2.558 1.00 60.45 C ATOM 112 OG SER A 8 21.702 -4.263 3.573 1.00 31.25 O ATOM 0 H SER A 8 20.282 -6.193 2.785 1.00 13.12 H new ATOM 0 HA SER A 8 22.363 -5.749 0.730 1.00 33.41 H new ATOM 0 HB2 SER A 8 23.578 -4.885 3.003 1.00 60.45 H new ATOM 0 HB3 SER A 8 22.773 -3.813 1.875 1.00 60.45 H new ATOM 0 HG SER A 8 22.059 -3.489 4.057 1.00 31.25 H new ATOM 118 N ILE A 9 23.545 -7.775 1.487 1.00 30.34 N ATOM 119 CA ILE A 9 24.219 -9.007 1.879 1.00 60.13 C ATOM 120 C ILE A 9 25.620 -9.080 1.282 1.00 64.32 C ATOM 121 O ILE A 9 25.816 -8.935 0.075 1.00 64.30 O ATOM 122 CB ILE A 9 23.421 -10.249 1.440 1.00 30.25 C ATOM 123 CG1 ILE A 9 24.245 -11.518 1.667 1.00 24.11 C ATOM 124 CG2 ILE A 9 23.014 -10.129 -0.021 1.00 24.24 C ATOM 125 CD1 ILE A 9 23.479 -12.793 1.395 1.00 72.41 C ATOM 0 H ILE A 9 23.756 -7.461 0.539 1.00 30.34 H new ATOM 0 HA ILE A 9 24.290 -8.996 2.967 1.00 60.13 H new ATOM 0 HB ILE A 9 22.516 -10.313 2.044 1.00 30.25 H new ATOM 0 HG12 ILE A 9 25.126 -11.489 1.025 1.00 24.11 H new ATOM 0 HG13 ILE A 9 24.601 -11.531 2.697 1.00 24.11 H new ATOM 0 HG21 ILE A 9 22.451 -11.015 -0.316 1.00 24.24 H new ATOM 0 HG22 ILE A 9 22.393 -9.243 -0.154 1.00 24.24 H new ATOM 0 HG23 ILE A 9 23.906 -10.043 -0.641 1.00 24.24 H new ATOM 0 HD11 ILE A 9 24.125 -13.652 1.576 1.00 72.41 H new ATOM 0 HD12 ILE A 9 22.613 -12.845 2.055 1.00 72.41 H new ATOM 0 HD13 ILE A 9 23.146 -12.803 0.357 1.00 72.41 H new ATOM 137 N PRO A 10 26.620 -9.313 2.145 1.00 10.35 N ATOM 138 CA PRO A 10 28.021 -9.413 1.726 1.00 20.22 C ATOM 139 C PRO A 10 28.295 -10.677 0.918 1.00 51.23 C ATOM 140 O PRO A 10 27.842 -11.763 1.276 1.00 63.40 O ATOM 141 CB PRO A 10 28.786 -9.450 3.052 1.00 61.15 C ATOM 142 CG PRO A 10 27.809 -9.991 4.038 1.00 42.31 C ATOM 143 CD PRO A 10 26.459 -9.496 3.598 1.00 43.33 C ATOM 0 HA PRO A 10 28.311 -8.590 1.073 1.00 20.22 H new ATOM 0 HB2 PRO A 10 29.670 -10.084 2.982 1.00 61.15 H new ATOM 0 HB3 PRO A 10 29.129 -8.456 3.339 1.00 61.15 H new ATOM 0 HG2 PRO A 10 27.838 -11.080 4.058 1.00 42.31 H new ATOM 0 HG3 PRO A 10 28.041 -9.647 5.046 1.00 42.31 H new ATOM 0 HD2 PRO A 10 25.673 -10.215 3.828 1.00 43.33 H new ATOM 0 HD3 PRO A 10 26.192 -8.563 4.094 1.00 43.33 H new ATOM 151 N GLU A 11 29.039 -10.526 -0.174 1.00 13.12 N ATOM 152 CA GLU A 11 29.372 -11.656 -1.033 1.00 31.35 C ATOM 153 C GLU A 11 29.886 -12.833 -0.208 1.00 42.10 C ATOM 154 O GLU A 11 30.295 -12.667 0.941 1.00 52.13 O ATOM 155 CB GLU A 11 30.422 -11.247 -2.068 1.00 31.05 C ATOM 156 CG GLU A 11 29.852 -11.028 -3.459 1.00 11.21 C ATOM 157 CD GLU A 11 30.648 -11.741 -4.535 1.00 3.45 C ATOM 158 OE1 GLU A 11 31.853 -11.986 -4.317 1.00 42.22 O ATOM 159 OE2 GLU A 11 30.066 -12.053 -5.594 1.00 73.30 O ATOM 0 H GLU A 11 29.422 -9.633 -0.484 1.00 13.12 H new ATOM 0 HA GLU A 11 28.464 -11.966 -1.551 1.00 31.35 H new ATOM 0 HB2 GLU A 11 30.910 -10.330 -1.736 1.00 31.05 H new ATOM 0 HB3 GLU A 11 31.191 -12.018 -2.117 1.00 31.05 H new ATOM 0 HG2 GLU A 11 28.820 -11.378 -3.484 1.00 11.21 H new ATOM 0 HG3 GLU A 11 29.832 -9.960 -3.675 1.00 11.21 H new ATOM 166 N GLU A 12 29.862 -14.021 -0.804 1.00 33.13 N ATOM 167 CA GLU A 12 30.324 -15.225 -0.124 1.00 21.41 C ATOM 168 C GLU A 12 29.449 -15.537 1.086 1.00 34.15 C ATOM 169 O GLU A 12 29.923 -16.071 2.088 1.00 24.32 O ATOM 170 CB GLU A 12 31.781 -15.063 0.315 1.00 52.40 C ATOM 171 CG GLU A 12 32.607 -16.329 0.166 1.00 74.42 C ATOM 172 CD GLU A 12 33.743 -16.406 1.167 1.00 62.04 C ATOM 173 OE1 GLU A 12 33.474 -16.712 2.347 1.00 13.12 O ATOM 174 OE2 GLU A 12 34.901 -16.160 0.770 1.00 63.10 O ATOM 0 H GLU A 12 29.528 -14.175 -1.755 1.00 33.13 H new ATOM 0 HA GLU A 12 30.254 -16.056 -0.825 1.00 21.41 H new ATOM 0 HB2 GLU A 12 32.242 -14.268 -0.271 1.00 52.40 H new ATOM 0 HB3 GLU A 12 31.804 -14.745 1.357 1.00 52.40 H new ATOM 0 HG2 GLU A 12 31.960 -17.197 0.289 1.00 74.42 H new ATOM 0 HG3 GLU A 12 33.014 -16.376 -0.844 1.00 74.42 H new ATOM 181 N ALA A 13 28.167 -15.198 0.986 1.00 64.45 N ATOM 182 CA ALA A 13 27.225 -15.443 2.070 1.00 11.12 C ATOM 183 C ALA A 13 26.679 -16.866 2.013 1.00 4.23 C ATOM 184 O ALA A 13 25.770 -17.163 1.238 1.00 10.23 O ATOM 185 CB ALA A 13 26.085 -14.436 2.016 1.00 23.21 C ATOM 0 H ALA A 13 27.758 -14.753 0.165 1.00 64.45 H new ATOM 0 HA ALA A 13 27.757 -15.324 3.014 1.00 11.12 H new ATOM 0 HB1 ALA A 13 25.389 -14.631 2.832 1.00 23.21 H new ATOM 0 HB2 ALA A 13 26.486 -13.427 2.114 1.00 23.21 H new ATOM 0 HB3 ALA A 13 25.563 -14.528 1.064 1.00 23.21 H new ATOM 191 N LYS A 14 27.241 -17.743 2.838 1.00 32.12 N ATOM 192 CA LYS A 14 26.811 -19.136 2.883 1.00 40.41 C ATOM 193 C LYS A 14 25.317 -19.235 3.173 1.00 53.22 C ATOM 194 O LYS A 14 24.718 -18.310 3.724 1.00 63.14 O ATOM 195 CB LYS A 14 27.600 -19.900 3.948 1.00 32.43 C ATOM 196 CG LYS A 14 29.065 -20.093 3.598 1.00 22.44 C ATOM 197 CD LYS A 14 29.244 -21.119 2.491 1.00 13.51 C ATOM 198 CE LYS A 14 30.542 -20.897 1.730 1.00 12.50 C ATOM 199 NZ LYS A 14 31.335 -22.151 1.608 1.00 0.15 N ATOM 0 H LYS A 14 27.996 -17.514 3.485 1.00 32.12 H new ATOM 0 HA LYS A 14 27.004 -19.582 1.907 1.00 40.41 H new ATOM 0 HB2 LYS A 14 27.529 -19.364 4.895 1.00 32.43 H new ATOM 0 HB3 LYS A 14 27.139 -20.876 4.099 1.00 32.43 H new ATOM 0 HG2 LYS A 14 29.494 -19.141 3.285 1.00 22.44 H new ATOM 0 HG3 LYS A 14 29.613 -20.414 4.484 1.00 22.44 H new ATOM 0 HD2 LYS A 14 29.239 -22.122 2.918 1.00 13.51 H new ATOM 0 HD3 LYS A 14 28.402 -21.062 1.801 1.00 13.51 H new ATOM 0 HE2 LYS A 14 30.318 -20.511 0.736 1.00 12.50 H new ATOM 0 HE3 LYS A 14 31.137 -20.139 2.240 1.00 12.50 H new ATOM 0 HZ1 LYS A 14 32.212 -21.958 1.083 1.00 0.15 H new ATOM 0 HZ2 LYS A 14 31.570 -22.507 2.557 1.00 0.15 H new ATOM 0 HZ3 LYS A 14 30.777 -22.866 1.099 1.00 0.15 H new ATOM 213 N HIS A 15 24.720 -20.362 2.800 1.00 74.33 N ATOM 214 CA HIS A 15 23.295 -20.583 3.022 1.00 0.30 C ATOM 215 C HIS A 15 22.934 -20.367 4.489 1.00 63.43 C ATOM 216 O HIS A 15 23.487 -21.016 5.376 1.00 71.31 O ATOM 217 CB HIS A 15 22.903 -21.996 2.590 1.00 34.04 C ATOM 218 CG HIS A 15 23.242 -22.302 1.164 1.00 35.50 C ATOM 219 ND1 HIS A 15 24.483 -22.750 0.765 1.00 44.41 N ATOM 220 CD2 HIS A 15 22.492 -22.226 0.040 1.00 52.53 C ATOM 221 CE1 HIS A 15 24.483 -22.933 -0.543 1.00 44.34 C ATOM 222 NE2 HIS A 15 23.286 -22.622 -1.008 1.00 24.34 N ATOM 0 H HIS A 15 25.201 -21.137 2.343 1.00 74.33 H new ATOM 0 HA HIS A 15 22.742 -19.862 2.420 1.00 0.30 H new ATOM 0 HB2 HIS A 15 23.404 -22.717 3.237 1.00 34.04 H new ATOM 0 HB3 HIS A 15 21.831 -22.127 2.736 1.00 34.04 H new ATOM 0 HD1 HIS A 15 25.277 -22.915 1.383 1.00 44.41 H new ATOM 0 HD2 HIS A 15 21.460 -21.912 -0.021 1.00 52.53 H new ATOM 0 HE1 HIS A 15 25.319 -23.278 -1.132 1.00 44.34 H new ATOM 230 N GLY A 16 22.003 -19.451 4.736 1.00 5.31 N ATOM 231 CA GLY A 16 21.586 -19.166 6.096 1.00 11.34 C ATOM 232 C GLY A 16 22.141 -17.852 6.610 1.00 22.22 C ATOM 233 O GLY A 16 22.007 -17.532 7.792 1.00 52.43 O ATOM 0 H GLY A 16 21.530 -18.901 4.019 1.00 5.31 H new ATOM 0 HA2 GLY A 16 20.497 -19.139 6.141 1.00 11.34 H new ATOM 0 HA3 GLY A 16 21.912 -19.975 6.750 1.00 11.34 H new ATOM 237 N THR A 17 22.769 -17.089 5.721 1.00 4.34 N ATOM 238 CA THR A 17 23.350 -15.804 6.092 1.00 73.24 C ATOM 239 C THR A 17 22.306 -14.695 6.043 1.00 15.40 C ATOM 240 O THR A 17 21.430 -14.690 5.177 1.00 2.42 O ATOM 241 CB THR A 17 24.523 -15.430 5.166 1.00 20.24 C ATOM 242 OG1 THR A 17 25.561 -16.411 5.270 1.00 33.41 O ATOM 243 CG2 THR A 17 25.077 -14.059 5.523 1.00 63.05 C ATOM 0 H THR A 17 22.888 -17.338 4.739 1.00 4.34 H new ATOM 0 HA THR A 17 23.720 -15.907 7.112 1.00 73.24 H new ATOM 0 HB THR A 17 24.153 -15.400 4.141 1.00 20.24 H new ATOM 0 HG1 THR A 17 25.313 -17.205 4.752 1.00 33.41 H new ATOM 0 HG21 THR A 17 25.904 -13.816 4.856 1.00 63.05 H new ATOM 0 HG22 THR A 17 24.292 -13.310 5.416 1.00 63.05 H new ATOM 0 HG23 THR A 17 25.432 -14.067 6.554 1.00 63.05 H new ATOM 251 N PHE A 18 22.404 -13.755 6.978 1.00 55.15 N ATOM 252 CA PHE A 18 21.467 -12.639 7.041 1.00 35.31 C ATOM 253 C PHE A 18 21.509 -11.819 5.755 1.00 22.20 C ATOM 254 O PHE A 18 22.571 -11.631 5.161 1.00 54.45 O ATOM 255 CB PHE A 18 21.786 -11.745 8.241 1.00 43.25 C ATOM 256 CG PHE A 18 21.146 -10.388 8.164 1.00 22.22 C ATOM 257 CD1 PHE A 18 19.767 -10.260 8.115 1.00 64.12 C ATOM 258 CD2 PHE A 18 21.923 -9.241 8.142 1.00 20.24 C ATOM 259 CE1 PHE A 18 19.176 -9.013 8.044 1.00 51.03 C ATOM 260 CE2 PHE A 18 21.337 -7.991 8.072 1.00 61.21 C ATOM 261 CZ PHE A 18 19.962 -7.877 8.023 1.00 34.15 C ATOM 0 H PHE A 18 23.122 -13.744 7.702 1.00 55.15 H new ATOM 0 HA PHE A 18 20.463 -13.047 7.157 1.00 35.31 H new ATOM 0 HB2 PHE A 18 21.456 -12.243 9.153 1.00 43.25 H new ATOM 0 HB3 PHE A 18 22.867 -11.625 8.317 1.00 43.25 H new ATOM 0 HD1 PHE A 18 19.148 -11.144 8.132 1.00 64.12 H new ATOM 0 HD2 PHE A 18 22.999 -9.325 8.180 1.00 20.24 H new ATOM 0 HE1 PHE A 18 18.100 -8.926 8.005 1.00 51.03 H new ATOM 0 HE2 PHE A 18 21.954 -7.105 8.056 1.00 61.21 H new ATOM 0 HZ PHE A 18 19.502 -6.902 7.968 1.00 34.15 H new ATOM 271 N VAL A 19 20.347 -11.334 5.331 1.00 74.24 N ATOM 272 CA VAL A 19 20.250 -10.534 4.116 1.00 52.13 C ATOM 273 C VAL A 19 19.432 -9.270 4.354 1.00 1.53 C ATOM 274 O VAL A 19 19.818 -8.180 3.934 1.00 52.33 O ATOM 275 CB VAL A 19 19.612 -11.335 2.965 1.00 30.12 C ATOM 276 CG1 VAL A 19 19.613 -10.519 1.681 1.00 22.44 C ATOM 277 CG2 VAL A 19 20.341 -12.656 2.768 1.00 12.22 C ATOM 0 H VAL A 19 19.459 -11.481 5.811 1.00 74.24 H new ATOM 0 HA VAL A 19 21.267 -10.259 3.837 1.00 52.13 H new ATOM 0 HB VAL A 19 18.577 -11.553 3.227 1.00 30.12 H new ATOM 0 HG11 VAL A 19 19.159 -11.101 0.879 1.00 22.44 H new ATOM 0 HG12 VAL A 19 19.043 -9.602 1.832 1.00 22.44 H new ATOM 0 HG13 VAL A 19 20.639 -10.268 1.410 1.00 22.44 H new ATOM 0 HG21 VAL A 19 19.877 -13.209 1.951 1.00 12.22 H new ATOM 0 HG22 VAL A 19 21.386 -12.462 2.528 1.00 12.22 H new ATOM 0 HG23 VAL A 19 20.282 -13.244 3.684 1.00 12.22 H new ATOM 287 N GLY A 20 18.299 -9.423 5.033 1.00 23.04 N ATOM 288 CA GLY A 20 17.444 -8.285 5.317 1.00 64.11 C ATOM 289 C GLY A 20 16.002 -8.688 5.554 1.00 25.11 C ATOM 290 O GLY A 20 15.392 -9.355 4.719 1.00 70.32 O ATOM 0 H GLY A 20 17.958 -10.315 5.392 1.00 23.04 H new ATOM 0 HA2 GLY A 20 17.821 -7.762 6.196 1.00 64.11 H new ATOM 0 HA3 GLY A 20 17.490 -7.583 4.484 1.00 64.11 H new ATOM 294 N ARG A 21 15.457 -8.284 6.697 1.00 41.13 N ATOM 295 CA ARG A 21 14.079 -8.610 7.043 1.00 53.54 C ATOM 296 C ARG A 21 13.140 -8.304 5.879 1.00 34.13 C ATOM 297 O ARG A 21 12.786 -7.149 5.642 1.00 54.14 O ATOM 298 CB ARG A 21 13.643 -7.827 8.283 1.00 41.13 C ATOM 299 CG ARG A 21 14.506 -8.094 9.505 1.00 11.53 C ATOM 300 CD ARG A 21 13.832 -9.066 10.461 1.00 2.42 C ATOM 301 NE ARG A 21 12.863 -8.399 11.327 1.00 40.12 N ATOM 302 CZ ARG A 21 12.070 -9.044 12.175 1.00 54.31 C ATOM 303 NH1 ARG A 21 12.131 -10.365 12.271 1.00 15.42 N ATOM 304 NH2 ARG A 21 11.213 -8.367 12.929 1.00 3.24 N ATOM 0 H ARG A 21 15.949 -7.731 7.399 1.00 41.13 H new ATOM 0 HA ARG A 21 14.027 -9.677 7.259 1.00 53.54 H new ATOM 0 HB2 ARG A 21 13.668 -6.761 8.057 1.00 41.13 H new ATOM 0 HB3 ARG A 21 12.609 -8.079 8.517 1.00 41.13 H new ATOM 0 HG2 ARG A 21 15.468 -8.499 9.191 1.00 11.53 H new ATOM 0 HG3 ARG A 21 14.708 -7.155 10.021 1.00 11.53 H new ATOM 0 HD2 ARG A 21 13.330 -9.847 9.890 1.00 2.42 H new ATOM 0 HD3 ARG A 21 14.589 -9.556 11.074 1.00 2.42 H new ATOM 0 HE ARG A 21 12.792 -7.383 11.278 1.00 40.12 H new ATOM 0 HH11 ARG A 21 12.788 -10.889 11.693 1.00 15.42 H new ATOM 0 HH12 ARG A 21 11.521 -10.858 12.923 1.00 15.42 H new ATOM 0 HH21 ARG A 21 11.163 -7.351 12.857 1.00 3.24 H new ATOM 0 HH22 ARG A 21 10.604 -8.863 13.580 1.00 3.24 H new ATOM 318 N ILE A 22 12.741 -9.346 5.158 1.00 33.54 N ATOM 319 CA ILE A 22 11.843 -9.189 4.021 1.00 33.30 C ATOM 320 C ILE A 22 10.438 -8.811 4.478 1.00 40.20 C ATOM 321 O ILE A 22 9.765 -7.999 3.843 1.00 63.42 O ATOM 322 CB ILE A 22 11.767 -10.478 3.181 1.00 3.00 C ATOM 323 CG1 ILE A 22 10.642 -10.375 2.150 1.00 74.42 C ATOM 324 CG2 ILE A 22 11.559 -11.686 4.082 1.00 63.11 C ATOM 325 CD1 ILE A 22 10.882 -11.206 0.908 1.00 12.35 C ATOM 0 H ILE A 22 13.026 -10.308 5.341 1.00 33.54 H new ATOM 0 HA ILE A 22 12.251 -8.387 3.406 1.00 33.30 H new ATOM 0 HB ILE A 22 12.710 -10.604 2.650 1.00 3.00 H new ATOM 0 HG12 ILE A 22 9.706 -10.689 2.613 1.00 74.42 H new ATOM 0 HG13 ILE A 22 10.520 -9.331 1.861 1.00 74.42 H new ATOM 0 HG21 ILE A 22 11.507 -12.589 3.474 1.00 63.11 H new ATOM 0 HG22 ILE A 22 12.392 -11.766 4.781 1.00 63.11 H new ATOM 0 HG23 ILE A 22 10.629 -11.569 4.638 1.00 63.11 H new ATOM 0 HD11 ILE A 22 10.044 -11.084 0.221 1.00 12.35 H new ATOM 0 HD12 ILE A 22 11.800 -10.877 0.422 1.00 12.35 H new ATOM 0 HD13 ILE A 22 10.975 -12.256 1.185 1.00 12.35 H new ATOM 337 N ALA A 23 10.002 -9.403 5.585 1.00 60.21 N ATOM 338 CA ALA A 23 8.679 -9.125 6.130 1.00 71.33 C ATOM 339 C ALA A 23 8.613 -7.722 6.722 1.00 11.31 C ATOM 340 O ALA A 23 7.679 -6.968 6.451 1.00 51.33 O ATOM 341 CB ALA A 23 8.313 -10.162 7.181 1.00 12.04 C ATOM 0 H ALA A 23 10.546 -10.078 6.122 1.00 60.21 H new ATOM 0 HA ALA A 23 7.958 -9.181 5.314 1.00 71.33 H new ATOM 0 HB1 ALA A 23 7.323 -9.942 7.580 1.00 12.04 H new ATOM 0 HB2 ALA A 23 8.310 -11.154 6.728 1.00 12.04 H new ATOM 0 HB3 ALA A 23 9.044 -10.134 7.989 1.00 12.04 H new ATOM 347 N GLN A 24 9.609 -7.379 7.532 1.00 2.22 N ATOM 348 CA GLN A 24 9.662 -6.066 8.164 1.00 41.32 C ATOM 349 C GLN A 24 9.618 -4.956 7.118 1.00 60.50 C ATOM 350 O GLN A 24 8.962 -3.933 7.312 1.00 50.12 O ATOM 351 CB GLN A 24 10.929 -5.934 9.011 1.00 63.45 C ATOM 352 CG GLN A 24 10.811 -4.911 10.128 1.00 34.15 C ATOM 353 CD GLN A 24 11.307 -3.539 9.718 1.00 1.35 C ATOM 354 OE1 GLN A 24 10.556 -2.563 9.736 1.00 32.23 O ATOM 355 NE2 GLN A 24 12.579 -3.456 9.346 1.00 10.22 N ATOM 0 H GLN A 24 10.390 -7.992 7.766 1.00 2.22 H new ATOM 0 HA GLN A 24 8.790 -5.967 8.810 1.00 41.32 H new ATOM 0 HB2 GLN A 24 11.170 -6.905 9.443 1.00 63.45 H new ATOM 0 HB3 GLN A 24 11.761 -5.658 8.364 1.00 63.45 H new ATOM 0 HG2 GLN A 24 9.769 -4.838 10.440 1.00 34.15 H new ATOM 0 HG3 GLN A 24 11.379 -5.255 10.992 1.00 34.15 H new ATOM 0 HE21 GLN A 24 13.166 -4.290 9.346 1.00 10.22 H new ATOM 0 HE22 GLN A 24 12.969 -2.558 9.060 1.00 10.22 H new ATOM 364 N ASP A 25 10.320 -5.167 6.010 1.00 4.42 N ATOM 365 CA ASP A 25 10.361 -4.185 4.933 1.00 50.42 C ATOM 366 C ASP A 25 9.057 -4.193 4.141 1.00 43.33 C ATOM 367 O ASP A 25 8.664 -3.180 3.561 1.00 45.45 O ATOM 368 CB ASP A 25 11.540 -4.467 4.001 1.00 43.03 C ATOM 369 CG ASP A 25 12.865 -4.501 4.737 1.00 1.31 C ATOM 370 OD1 ASP A 25 12.971 -3.848 5.796 1.00 24.02 O ATOM 371 OD2 ASP A 25 13.796 -5.179 4.254 1.00 72.12 O ATOM 0 H ASP A 25 10.868 -6.009 5.834 1.00 4.42 H new ATOM 0 HA ASP A 25 10.489 -3.199 5.379 1.00 50.42 H new ATOM 0 HB2 ASP A 25 11.382 -5.421 3.499 1.00 43.03 H new ATOM 0 HB3 ASP A 25 11.578 -3.702 3.226 1.00 43.03 H new ATOM 376 N LEU A 26 8.391 -5.342 4.120 1.00 41.24 N ATOM 377 CA LEU A 26 7.131 -5.483 3.398 1.00 43.24 C ATOM 378 C LEU A 26 5.987 -4.829 4.166 1.00 44.43 C ATOM 379 O LEU A 26 5.111 -4.197 3.576 1.00 23.33 O ATOM 380 CB LEU A 26 6.820 -6.961 3.159 1.00 65.34 C ATOM 381 CG LEU A 26 7.109 -7.489 1.753 1.00 61.12 C ATOM 382 CD1 LEU A 26 8.544 -7.183 1.352 1.00 53.43 C ATOM 383 CD2 LEU A 26 6.841 -8.985 1.679 1.00 31.23 C ATOM 0 H LEU A 26 8.702 -6.190 4.594 1.00 41.24 H new ATOM 0 HA LEU A 26 7.234 -4.979 2.437 1.00 43.24 H new ATOM 0 HB2 LEU A 26 7.394 -7.552 3.873 1.00 65.34 H new ATOM 0 HB3 LEU A 26 5.766 -7.130 3.379 1.00 65.34 H new ATOM 0 HG LEU A 26 6.442 -6.985 1.053 1.00 61.12 H new ATOM 0 HD11 LEU A 26 8.731 -7.566 0.349 1.00 53.43 H new ATOM 0 HD12 LEU A 26 8.703 -6.105 1.364 1.00 53.43 H new ATOM 0 HD13 LEU A 26 9.228 -7.659 2.055 1.00 53.43 H new ATOM 0 HD21 LEU A 26 7.052 -9.343 0.671 1.00 31.23 H new ATOM 0 HD22 LEU A 26 7.482 -9.505 2.391 1.00 31.23 H new ATOM 0 HD23 LEU A 26 5.796 -9.180 1.922 1.00 31.23 H new ATOM 395 N GLY A 27 6.003 -4.983 5.486 1.00 5.34 N ATOM 396 CA GLY A 27 4.964 -4.399 6.314 1.00 72.50 C ATOM 397 C GLY A 27 3.790 -5.337 6.516 1.00 12.23 C ATOM 398 O GLY A 27 2.633 -4.931 6.394 1.00 63.05 O ATOM 0 H GLY A 27 6.717 -5.502 5.997 1.00 5.34 H new ATOM 0 HA2 GLY A 27 5.383 -4.132 7.284 1.00 72.50 H new ATOM 0 HA3 GLY A 27 4.613 -3.476 5.854 1.00 72.50 H new ATOM 402 N LEU A 28 4.086 -6.594 6.826 1.00 75.45 N ATOM 403 CA LEU A 28 3.045 -7.594 7.044 1.00 42.43 C ATOM 404 C LEU A 28 3.280 -8.348 8.349 1.00 54.33 C ATOM 405 O LEU A 28 4.178 -8.010 9.118 1.00 25.32 O ATOM 406 CB LEU A 28 3.002 -8.578 5.873 1.00 2.43 C ATOM 407 CG LEU A 28 3.742 -8.147 4.606 1.00 0.45 C ATOM 408 CD1 LEU A 28 3.816 -9.297 3.614 1.00 11.50 C ATOM 409 CD2 LEU A 28 3.063 -6.939 3.977 1.00 73.11 C ATOM 0 H LEU A 28 5.038 -6.946 6.932 1.00 75.45 H new ATOM 0 HA LEU A 28 2.087 -7.078 7.111 1.00 42.43 H new ATOM 0 HB2 LEU A 28 3.419 -9.528 6.207 1.00 2.43 H new ATOM 0 HB3 LEU A 28 1.959 -8.760 5.616 1.00 2.43 H new ATOM 0 HG LEU A 28 4.759 -7.865 4.880 1.00 0.45 H new ATOM 0 HD11 LEU A 28 4.346 -8.972 2.719 1.00 11.50 H new ATOM 0 HD12 LEU A 28 4.348 -10.134 4.066 1.00 11.50 H new ATOM 0 HD13 LEU A 28 2.807 -9.611 3.345 1.00 11.50 H new ATOM 0 HD21 LEU A 28 3.603 -6.646 3.077 1.00 73.11 H new ATOM 0 HD22 LEU A 28 2.035 -7.193 3.717 1.00 73.11 H new ATOM 0 HD23 LEU A 28 3.064 -6.111 4.686 1.00 73.11 H new ATOM 421 N GLU A 29 2.466 -9.371 8.589 1.00 30.22 N ATOM 422 CA GLU A 29 2.587 -10.174 9.801 1.00 55.33 C ATOM 423 C GLU A 29 3.291 -11.496 9.510 1.00 44.52 C ATOM 424 O GLU A 29 3.135 -12.072 8.433 1.00 52.15 O ATOM 425 CB GLU A 29 1.205 -10.441 10.401 1.00 30.24 C ATOM 426 CG GLU A 29 1.027 -9.869 11.798 1.00 64.41 C ATOM 427 CD GLU A 29 1.327 -10.882 12.886 1.00 64.44 C ATOM 428 OE1 GLU A 29 2.516 -11.213 13.078 1.00 71.45 O ATOM 429 OE2 GLU A 29 0.372 -11.344 13.545 1.00 5.02 O ATOM 0 H GLU A 29 1.717 -9.663 7.962 1.00 30.22 H new ATOM 0 HA GLU A 29 3.186 -9.614 10.519 1.00 55.33 H new ATOM 0 HB2 GLU A 29 0.445 -10.017 9.744 1.00 30.24 H new ATOM 0 HB3 GLU A 29 1.034 -11.517 10.434 1.00 30.24 H new ATOM 0 HG2 GLU A 29 1.682 -9.006 11.919 1.00 64.41 H new ATOM 0 HG3 GLU A 29 0.004 -9.511 11.912 1.00 64.41 H new ATOM 436 N LEU A 30 4.068 -11.970 10.477 1.00 24.01 N ATOM 437 CA LEU A 30 4.799 -13.224 10.326 1.00 14.12 C ATOM 438 C LEU A 30 3.843 -14.412 10.310 1.00 74.34 C ATOM 439 O LEU A 30 4.143 -15.458 9.732 1.00 4.33 O ATOM 440 CB LEU A 30 5.812 -13.386 11.460 1.00 24.21 C ATOM 441 CG LEU A 30 7.286 -13.366 11.051 1.00 33.02 C ATOM 442 CD1 LEU A 30 7.666 -14.666 10.360 1.00 74.23 C ATOM 443 CD2 LEU A 30 7.572 -12.176 10.148 1.00 42.35 C ATOM 0 H LEU A 30 4.209 -11.505 11.374 1.00 24.01 H new ATOM 0 HA LEU A 30 5.330 -13.195 9.374 1.00 14.12 H new ATOM 0 HB2 LEU A 30 5.646 -12.589 12.185 1.00 24.21 H new ATOM 0 HB3 LEU A 30 5.610 -14.328 11.969 1.00 24.21 H new ATOM 0 HG LEU A 30 7.892 -13.267 11.952 1.00 33.02 H new ATOM 0 HD11 LEU A 30 8.718 -14.633 10.076 1.00 74.23 H new ATOM 0 HD12 LEU A 30 7.499 -15.502 11.040 1.00 74.23 H new ATOM 0 HD13 LEU A 30 7.054 -14.796 9.468 1.00 74.23 H new ATOM 0 HD21 LEU A 30 8.625 -12.177 9.867 1.00 42.35 H new ATOM 0 HD22 LEU A 30 6.957 -12.244 9.251 1.00 42.35 H new ATOM 0 HD23 LEU A 30 7.339 -11.253 10.678 1.00 42.35 H new ATOM 455 N THR A 31 2.687 -14.245 10.945 1.00 10.42 N ATOM 456 CA THR A 31 1.686 -15.302 11.003 1.00 70.31 C ATOM 457 C THR A 31 0.642 -15.132 9.905 1.00 65.22 C ATOM 458 O THR A 31 -0.317 -15.899 9.824 1.00 45.21 O ATOM 459 CB THR A 31 0.976 -15.330 12.370 1.00 63.32 C ATOM 460 OG1 THR A 31 1.528 -14.326 13.229 1.00 63.41 O ATOM 461 CG2 THR A 31 1.115 -16.697 13.024 1.00 41.23 C ATOM 0 H THR A 31 2.421 -13.386 11.427 1.00 10.42 H new ATOM 0 HA THR A 31 2.214 -16.244 10.856 1.00 70.31 H new ATOM 0 HB THR A 31 -0.083 -15.128 12.209 1.00 63.32 H new ATOM 0 HG1 THR A 31 0.966 -13.524 13.198 1.00 63.41 H new ATOM 0 HG21 THR A 31 0.606 -16.693 13.988 1.00 41.23 H new ATOM 0 HG22 THR A 31 0.668 -17.455 12.381 1.00 41.23 H new ATOM 0 HG23 THR A 31 2.171 -16.924 13.172 1.00 41.23 H new ATOM 469 N GLU A 32 0.837 -14.123 9.061 1.00 34.13 N ATOM 470 CA GLU A 32 -0.089 -13.854 7.968 1.00 54.53 C ATOM 471 C GLU A 32 0.462 -14.380 6.646 1.00 73.32 C ATOM 472 O GLU A 32 -0.265 -14.490 5.657 1.00 24.50 O ATOM 473 CB GLU A 32 -0.360 -12.352 7.858 1.00 51.44 C ATOM 474 CG GLU A 32 -1.741 -12.020 7.318 1.00 53.00 C ATOM 475 CD GLU A 32 -2.820 -12.113 8.379 1.00 11.15 C ATOM 476 OE1 GLU A 32 -2.792 -11.301 9.327 1.00 12.43 O ATOM 477 OE2 GLU A 32 -3.693 -12.999 8.262 1.00 42.55 O ATOM 0 H GLU A 32 1.627 -13.480 9.114 1.00 34.13 H new ATOM 0 HA GLU A 32 -1.024 -14.370 8.183 1.00 54.53 H new ATOM 0 HB2 GLU A 32 -0.245 -11.898 8.842 1.00 51.44 H new ATOM 0 HB3 GLU A 32 0.392 -11.902 7.210 1.00 51.44 H new ATOM 0 HG2 GLU A 32 -1.732 -11.013 6.902 1.00 53.00 H new ATOM 0 HG3 GLU A 32 -1.981 -12.700 6.501 1.00 53.00 H new ATOM 484 N LEU A 33 1.750 -14.704 6.636 1.00 40.11 N ATOM 485 CA LEU A 33 2.400 -15.219 5.436 1.00 44.22 C ATOM 486 C LEU A 33 1.846 -16.590 5.062 1.00 44.10 C ATOM 487 O LEU A 33 1.584 -16.867 3.891 1.00 24.25 O ATOM 488 CB LEU A 33 3.912 -15.308 5.650 1.00 44.03 C ATOM 489 CG LEU A 33 4.615 -14.003 6.026 1.00 63.14 C ATOM 490 CD1 LEU A 33 5.696 -14.259 7.064 1.00 22.03 C ATOM 491 CD2 LEU A 33 5.207 -13.341 4.790 1.00 54.32 C ATOM 0 H LEU A 33 2.365 -14.619 7.445 1.00 40.11 H new ATOM 0 HA LEU A 33 2.195 -14.530 4.617 1.00 44.22 H new ATOM 0 HB2 LEU A 33 4.105 -16.040 6.434 1.00 44.03 H new ATOM 0 HB3 LEU A 33 4.366 -15.692 4.736 1.00 44.03 H new ATOM 0 HG LEU A 33 3.877 -13.327 6.458 1.00 63.14 H new ATOM 0 HD11 LEU A 33 6.185 -13.319 7.319 1.00 22.03 H new ATOM 0 HD12 LEU A 33 5.246 -14.689 7.959 1.00 22.03 H new ATOM 0 HD13 LEU A 33 6.432 -14.953 6.659 1.00 22.03 H new ATOM 0 HD21 LEU A 33 5.703 -12.414 5.076 1.00 54.32 H new ATOM 0 HD22 LEU A 33 5.931 -14.013 4.329 1.00 54.32 H new ATOM 0 HD23 LEU A 33 4.411 -13.122 4.078 1.00 54.32 H new ATOM 503 N VAL A 34 1.668 -17.444 6.065 1.00 63.12 N ATOM 504 CA VAL A 34 1.142 -18.785 5.842 1.00 31.42 C ATOM 505 C VAL A 34 -0.164 -18.740 5.057 1.00 50.11 C ATOM 506 O VAL A 34 -0.291 -19.325 3.981 1.00 11.01 O ATOM 507 CB VAL A 34 0.902 -19.522 7.173 1.00 24.43 C ATOM 508 CG1 VAL A 34 -0.257 -20.498 7.042 1.00 32.15 C ATOM 509 CG2 VAL A 34 2.167 -20.241 7.619 1.00 70.01 C ATOM 0 H VAL A 34 1.880 -17.231 7.040 1.00 63.12 H new ATOM 0 HA VAL A 34 1.891 -19.327 5.265 1.00 31.42 H new ATOM 0 HB VAL A 34 0.642 -18.786 7.934 1.00 24.43 H new ATOM 0 HG11 VAL A 34 -0.411 -21.009 7.992 1.00 32.15 H new ATOM 0 HG12 VAL A 34 -1.162 -19.954 6.771 1.00 32.15 H new ATOM 0 HG13 VAL A 34 -0.029 -21.231 6.268 1.00 32.15 H new ATOM 0 HG21 VAL A 34 1.980 -20.756 8.561 1.00 70.01 H new ATOM 0 HG22 VAL A 34 2.460 -20.967 6.860 1.00 70.01 H new ATOM 0 HG23 VAL A 34 2.969 -19.515 7.756 1.00 70.01 H new ATOM 519 N PRO A 35 -1.160 -18.028 5.605 1.00 22.14 N ATOM 520 CA PRO A 35 -2.475 -17.888 4.972 1.00 5.15 C ATOM 521 C PRO A 35 -2.423 -17.030 3.713 1.00 11.52 C ATOM 522 O PRO A 35 -3.349 -17.045 2.902 1.00 63.54 O ATOM 523 CB PRO A 35 -3.317 -17.204 6.052 1.00 3.50 C ATOM 524 CG PRO A 35 -2.330 -16.471 6.895 1.00 72.43 C ATOM 525 CD PRO A 35 -1.079 -17.305 6.885 1.00 4.35 C ATOM 0 HA PRO A 35 -2.875 -18.848 4.645 1.00 5.15 H new ATOM 0 HB2 PRO A 35 -4.046 -16.523 5.613 1.00 3.50 H new ATOM 0 HB3 PRO A 35 -3.875 -17.933 6.639 1.00 3.50 H new ATOM 0 HG2 PRO A 35 -2.139 -15.475 6.495 1.00 72.43 H new ATOM 0 HG3 PRO A 35 -2.704 -16.341 7.910 1.00 72.43 H new ATOM 0 HD2 PRO A 35 -0.183 -16.686 6.941 1.00 4.35 H new ATOM 0 HD3 PRO A 35 -1.046 -17.990 7.732 1.00 4.35 H new ATOM 533 N ARG A 36 -1.336 -16.282 3.556 1.00 2.44 N ATOM 534 CA ARG A 36 -1.165 -15.416 2.396 1.00 63.13 C ATOM 535 C ARG A 36 -0.475 -16.163 1.258 1.00 55.05 C ATOM 536 O ARG A 36 -0.135 -15.574 0.231 1.00 60.14 O ATOM 537 CB ARG A 36 -0.351 -14.176 2.773 1.00 74.52 C ATOM 538 CG ARG A 36 -1.190 -13.053 3.361 1.00 60.52 C ATOM 539 CD ARG A 36 -0.318 -11.967 3.969 1.00 4.25 C ATOM 540 NE ARG A 36 -0.589 -10.656 3.386 1.00 15.20 N ATOM 541 CZ ARG A 36 -1.671 -9.937 3.665 1.00 33.31 C ATOM 542 NH1 ARG A 36 -2.577 -10.400 4.515 1.00 35.02 N ATOM 543 NH2 ARG A 36 -1.848 -8.753 3.094 1.00 50.22 N ATOM 0 H ARG A 36 -0.560 -16.258 4.218 1.00 2.44 H new ATOM 0 HA ARG A 36 -2.153 -15.104 2.058 1.00 63.13 H new ATOM 0 HB2 ARG A 36 0.416 -14.460 3.493 1.00 74.52 H new ATOM 0 HB3 ARG A 36 0.165 -13.807 1.887 1.00 74.52 H new ATOM 0 HG2 ARG A 36 -1.820 -12.622 2.583 1.00 60.52 H new ATOM 0 HG3 ARG A 36 -1.856 -13.456 4.124 1.00 60.52 H new ATOM 0 HD2 ARG A 36 -0.487 -11.927 5.045 1.00 4.25 H new ATOM 0 HD3 ARG A 36 0.732 -12.220 3.820 1.00 4.25 H new ATOM 0 HE ARG A 36 0.089 -10.271 2.729 1.00 15.20 H new ATOM 0 HH11 ARG A 36 -2.444 -11.310 4.956 1.00 35.02 H new ATOM 0 HH12 ARG A 36 -3.407 -9.846 4.728 1.00 35.02 H new ATOM 0 HH21 ARG A 36 -1.153 -8.393 2.440 1.00 50.22 H new ATOM 0 HH22 ARG A 36 -2.679 -8.202 3.309 1.00 50.22 H new ATOM 557 N LEU A 37 -0.272 -17.462 1.447 1.00 74.01 N ATOM 558 CA LEU A 37 0.377 -18.290 0.437 1.00 72.25 C ATOM 559 C LEU A 37 1.644 -17.621 -0.084 1.00 45.41 C ATOM 560 O LEU A 37 1.796 -17.404 -1.287 1.00 33.03 O ATOM 561 CB LEU A 37 -0.584 -18.561 -0.723 1.00 25.41 C ATOM 562 CG LEU A 37 -1.527 -19.752 -0.548 1.00 54.43 C ATOM 563 CD1 LEU A 37 -0.737 -21.043 -0.407 1.00 32.23 C ATOM 564 CD2 LEU A 37 -2.432 -19.543 0.657 1.00 1.44 C ATOM 0 H LEU A 37 -0.548 -17.965 2.291 1.00 74.01 H new ATOM 0 HA LEU A 37 0.653 -19.237 0.902 1.00 72.25 H new ATOM 0 HB2 LEU A 37 -1.186 -17.667 -0.886 1.00 25.41 H new ATOM 0 HB3 LEU A 37 0.004 -18.719 -1.627 1.00 25.41 H new ATOM 0 HG LEU A 37 -2.152 -19.829 -1.437 1.00 54.43 H new ATOM 0 HD11 LEU A 37 -1.425 -21.879 -0.283 1.00 32.23 H new ATOM 0 HD12 LEU A 37 -0.133 -21.199 -1.301 1.00 32.23 H new ATOM 0 HD13 LEU A 37 -0.086 -20.978 0.464 1.00 32.23 H new ATOM 0 HD21 LEU A 37 -3.096 -20.400 0.766 1.00 1.44 H new ATOM 0 HD22 LEU A 37 -1.823 -19.439 1.555 1.00 1.44 H new ATOM 0 HD23 LEU A 37 -3.026 -18.640 0.514 1.00 1.44 H new ATOM 576 N PHE A 38 2.554 -17.297 0.829 1.00 41.41 N ATOM 577 CA PHE A 38 3.810 -16.653 0.462 1.00 50.30 C ATOM 578 C PHE A 38 4.603 -17.522 -0.509 1.00 64.12 C ATOM 579 O PHE A 38 4.699 -18.737 -0.336 1.00 33.13 O ATOM 580 CB PHE A 38 4.647 -16.370 1.711 1.00 12.04 C ATOM 581 CG PHE A 38 5.317 -15.026 1.692 1.00 22.03 C ATOM 582 CD1 PHE A 38 4.565 -13.862 1.694 1.00 24.13 C ATOM 583 CD2 PHE A 38 6.699 -14.927 1.673 1.00 10.41 C ATOM 584 CE1 PHE A 38 5.180 -12.624 1.676 1.00 71.30 C ATOM 585 CE2 PHE A 38 7.319 -13.691 1.655 1.00 21.41 C ATOM 586 CZ PHE A 38 6.558 -12.539 1.658 1.00 43.24 C ATOM 0 H PHE A 38 2.445 -17.470 1.828 1.00 41.41 H new ATOM 0 HA PHE A 38 3.575 -15.710 -0.031 1.00 50.30 H new ATOM 0 HB2 PHE A 38 4.006 -16.435 2.590 1.00 12.04 H new ATOM 0 HB3 PHE A 38 5.407 -17.145 1.812 1.00 12.04 H new ATOM 0 HD1 PHE A 38 3.487 -13.923 1.710 1.00 24.13 H new ATOM 0 HD2 PHE A 38 7.299 -15.825 1.672 1.00 10.41 H new ATOM 0 HE1 PHE A 38 4.583 -11.724 1.676 1.00 71.30 H new ATOM 0 HE2 PHE A 38 8.397 -13.627 1.639 1.00 21.41 H new ATOM 0 HZ PHE A 38 7.040 -11.573 1.646 1.00 43.24 H new ATOM 596 N ARG A 39 5.170 -16.890 -1.532 1.00 23.32 N ATOM 597 CA ARG A 39 5.954 -17.605 -2.532 1.00 72.21 C ATOM 598 C ARG A 39 7.083 -16.729 -3.066 1.00 62.01 C ATOM 599 O ARG A 39 6.918 -15.521 -3.239 1.00 75.52 O ATOM 600 CB ARG A 39 5.057 -18.058 -3.685 1.00 74.43 C ATOM 601 CG ARG A 39 5.003 -19.567 -3.859 1.00 22.53 C ATOM 602 CD ARG A 39 4.604 -19.952 -5.275 1.00 4.30 C ATOM 603 NE ARG A 39 5.688 -20.627 -5.984 1.00 75.24 N ATOM 604 CZ ARG A 39 6.095 -21.860 -5.702 1.00 12.41 C ATOM 605 NH1 ARG A 39 5.512 -22.548 -4.730 1.00 54.32 N ATOM 606 NH2 ARG A 39 7.087 -22.406 -6.393 1.00 21.44 N ATOM 0 H ARG A 39 5.101 -15.885 -1.690 1.00 23.32 H new ATOM 0 HA ARG A 39 6.392 -18.482 -2.055 1.00 72.21 H new ATOM 0 HB2 ARG A 39 4.047 -17.684 -3.517 1.00 74.43 H new ATOM 0 HB3 ARG A 39 5.414 -17.607 -4.611 1.00 74.43 H new ATOM 0 HG2 ARG A 39 5.977 -19.996 -3.625 1.00 22.53 H new ATOM 0 HG3 ARG A 39 4.290 -19.990 -3.151 1.00 22.53 H new ATOM 0 HD2 ARG A 39 3.731 -20.604 -5.241 1.00 4.30 H new ATOM 0 HD3 ARG A 39 4.312 -19.058 -5.825 1.00 4.30 H new ATOM 0 HE ARG A 39 6.158 -20.124 -6.737 1.00 75.24 H new ATOM 0 HH11 ARG A 39 4.749 -22.131 -4.197 1.00 54.32 H new ATOM 0 HH12 ARG A 39 5.826 -23.494 -4.516 1.00 54.32 H new ATOM 0 HH21 ARG A 39 7.538 -21.879 -7.141 1.00 21.44 H new ATOM 0 HH22 ARG A 39 7.399 -23.353 -6.176 1.00 21.44 H new ATOM 620 N VAL A 40 8.232 -17.346 -3.325 1.00 51.21 N ATOM 621 CA VAL A 40 9.389 -16.623 -3.840 1.00 13.23 C ATOM 622 C VAL A 40 9.810 -17.160 -5.203 1.00 4.31 C ATOM 623 O VAL A 40 9.852 -18.370 -5.419 1.00 20.54 O ATOM 624 CB VAL A 40 10.584 -16.714 -2.872 1.00 73.12 C ATOM 625 CG1 VAL A 40 11.745 -15.871 -3.376 1.00 53.42 C ATOM 626 CG2 VAL A 40 10.170 -16.284 -1.473 1.00 33.31 C ATOM 0 H VAL A 40 8.386 -18.345 -3.187 1.00 51.21 H new ATOM 0 HA VAL A 40 9.092 -15.579 -3.940 1.00 13.23 H new ATOM 0 HB VAL A 40 10.913 -17.752 -2.826 1.00 73.12 H new ATOM 0 HG11 VAL A 40 12.580 -15.948 -2.679 1.00 53.42 H new ATOM 0 HG12 VAL A 40 12.057 -16.230 -4.357 1.00 53.42 H new ATOM 0 HG13 VAL A 40 11.432 -14.830 -3.454 1.00 53.42 H new ATOM 0 HG21 VAL A 40 11.026 -16.355 -0.802 1.00 33.31 H new ATOM 0 HG22 VAL A 40 9.814 -15.254 -1.499 1.00 33.31 H new ATOM 0 HG23 VAL A 40 9.373 -16.935 -1.113 1.00 33.31 H new ATOM 636 N ALA A 41 10.123 -16.250 -6.120 1.00 60.10 N ATOM 637 CA ALA A 41 10.544 -16.632 -7.462 1.00 63.01 C ATOM 638 C ALA A 41 11.452 -15.571 -8.075 1.00 71.14 C ATOM 639 O ALA A 41 11.489 -14.430 -7.614 1.00 72.34 O ATOM 640 CB ALA A 41 9.331 -16.868 -8.349 1.00 53.11 C ATOM 0 H ALA A 41 10.093 -15.243 -5.958 1.00 60.10 H new ATOM 0 HA ALA A 41 11.111 -17.560 -7.388 1.00 63.01 H new ATOM 0 HB1 ALA A 41 9.661 -17.153 -9.348 1.00 53.11 H new ATOM 0 HB2 ALA A 41 8.721 -17.667 -7.927 1.00 53.11 H new ATOM 0 HB3 ALA A 41 8.740 -15.954 -8.409 1.00 53.11 H new ATOM 646 N SER A 42 12.183 -15.955 -9.117 1.00 3.22 N ATOM 647 CA SER A 42 13.095 -15.037 -9.790 1.00 73.34 C ATOM 648 C SER A 42 13.083 -15.270 -11.298 1.00 45.32 C ATOM 649 O SER A 42 12.714 -16.345 -11.770 1.00 62.31 O ATOM 650 CB SER A 42 14.515 -15.206 -9.248 1.00 2.44 C ATOM 651 OG SER A 42 15.358 -15.821 -10.207 1.00 0.55 O ATOM 0 H SER A 42 12.162 -16.895 -9.513 1.00 3.22 H new ATOM 0 HA SER A 42 12.758 -14.019 -9.593 1.00 73.34 H new ATOM 0 HB2 SER A 42 14.921 -14.232 -8.974 1.00 2.44 H new ATOM 0 HB3 SER A 42 14.492 -15.809 -8.340 1.00 2.44 H new ATOM 0 HG SER A 42 16.200 -15.323 -10.270 1.00 0.55 H new ATOM 657 N LYS A 43 13.491 -14.253 -12.050 1.00 51.22 N ATOM 658 CA LYS A 43 13.530 -14.344 -13.505 1.00 11.21 C ATOM 659 C LYS A 43 14.830 -14.989 -13.975 1.00 13.10 C ATOM 660 O LYS A 43 15.084 -15.093 -15.175 1.00 54.22 O ATOM 661 CB LYS A 43 13.384 -12.954 -14.128 1.00 11.55 C ATOM 662 CG LYS A 43 12.045 -12.296 -13.841 1.00 20.15 C ATOM 663 CD LYS A 43 10.996 -12.699 -14.863 1.00 15.21 C ATOM 664 CE LYS A 43 9.775 -13.314 -14.196 1.00 13.32 C ATOM 665 NZ LYS A 43 8.848 -13.923 -15.189 1.00 71.43 N ATOM 0 H LYS A 43 13.799 -13.356 -11.676 1.00 51.22 H new ATOM 0 HA LYS A 43 12.697 -14.969 -13.827 1.00 11.21 H new ATOM 0 HB2 LYS A 43 14.182 -12.312 -13.755 1.00 11.55 H new ATOM 0 HB3 LYS A 43 13.517 -13.033 -15.207 1.00 11.55 H new ATOM 0 HG2 LYS A 43 11.708 -12.575 -12.843 1.00 20.15 H new ATOM 0 HG3 LYS A 43 12.162 -11.212 -13.846 1.00 20.15 H new ATOM 0 HD2 LYS A 43 10.695 -11.825 -15.441 1.00 15.21 H new ATOM 0 HD3 LYS A 43 11.426 -13.413 -15.566 1.00 15.21 H new ATOM 0 HE2 LYS A 43 10.095 -14.075 -13.484 1.00 13.32 H new ATOM 0 HE3 LYS A 43 9.247 -12.548 -13.628 1.00 13.32 H new ATOM 0 HZ1 LYS A 43 8.029 -14.331 -14.695 1.00 71.43 H new ATOM 0 HZ2 LYS A 43 8.522 -13.192 -15.854 1.00 71.43 H new ATOM 0 HZ3 LYS A 43 9.344 -14.672 -15.713 1.00 71.43 H new ATOM 679 N ASP A 44 15.648 -15.422 -13.022 1.00 42.34 N ATOM 680 CA ASP A 44 16.921 -16.059 -13.339 1.00 72.54 C ATOM 681 C ASP A 44 16.857 -17.561 -13.077 1.00 13.24 C ATOM 682 O ASP A 44 16.715 -18.358 -14.004 1.00 41.22 O ATOM 683 CB ASP A 44 18.048 -15.433 -12.517 1.00 43.04 C ATOM 684 CG ASP A 44 18.401 -14.036 -12.989 1.00 65.22 C ATOM 685 OD1 ASP A 44 17.476 -13.213 -13.152 1.00 44.03 O ATOM 686 OD2 ASP A 44 19.603 -13.766 -13.195 1.00 1.14 O ATOM 0 H ASP A 44 15.452 -15.344 -12.024 1.00 42.34 H new ATOM 0 HA ASP A 44 17.124 -15.901 -14.398 1.00 72.54 H new ATOM 0 HB2 ASP A 44 17.752 -15.395 -11.469 1.00 43.04 H new ATOM 0 HB3 ASP A 44 18.932 -16.068 -12.576 1.00 43.04 H new ATOM 691 N ARG A 45 16.963 -17.939 -11.807 1.00 72.20 N ATOM 692 CA ARG A 45 16.919 -19.345 -11.423 1.00 2.24 C ATOM 693 C ARG A 45 15.782 -19.605 -10.439 1.00 55.54 C ATOM 694 O ARG A 45 15.361 -20.745 -10.248 1.00 1.31 O ATOM 695 CB ARG A 45 18.252 -19.767 -10.800 1.00 55.14 C ATOM 696 CG ARG A 45 18.806 -21.063 -11.369 1.00 51.22 C ATOM 697 CD ARG A 45 19.534 -21.871 -10.307 1.00 30.13 C ATOM 698 NE ARG A 45 19.605 -23.289 -10.651 1.00 3.34 N ATOM 699 CZ ARG A 45 20.104 -24.217 -9.842 1.00 11.03 C ATOM 700 NH1 ARG A 45 20.572 -23.879 -8.648 1.00 40.12 N ATOM 701 NH2 ARG A 45 20.134 -25.487 -10.226 1.00 43.40 N ATOM 0 H ARG A 45 17.080 -17.292 -11.027 1.00 72.20 H new ATOM 0 HA ARG A 45 16.741 -19.936 -12.322 1.00 2.24 H new ATOM 0 HB2 ARG A 45 18.982 -18.972 -10.951 1.00 55.14 H new ATOM 0 HB3 ARG A 45 18.121 -19.879 -9.724 1.00 55.14 H new ATOM 0 HG2 ARG A 45 17.992 -21.657 -11.785 1.00 51.22 H new ATOM 0 HG3 ARG A 45 19.488 -20.839 -12.189 1.00 51.22 H new ATOM 0 HD2 ARG A 45 20.543 -21.478 -10.180 1.00 30.13 H new ATOM 0 HD3 ARG A 45 19.024 -21.755 -9.351 1.00 30.13 H new ATOM 0 HE ARG A 45 19.252 -23.582 -11.562 1.00 3.34 H new ATOM 0 HH11 ARG A 45 20.549 -22.904 -8.349 1.00 40.12 H new ATOM 0 HH12 ARG A 45 20.955 -24.594 -8.029 1.00 40.12 H new ATOM 0 HH21 ARG A 45 19.774 -25.751 -11.143 1.00 43.40 H new ATOM 0 HH22 ARG A 45 20.517 -26.199 -9.604 1.00 43.40 H new ATOM 715 N GLY A 46 15.288 -18.538 -9.818 1.00 11.41 N ATOM 716 CA GLY A 46 14.204 -18.671 -8.862 1.00 24.42 C ATOM 717 C GLY A 46 14.644 -19.346 -7.578 1.00 4.35 C ATOM 718 O GLY A 46 13.819 -19.667 -6.723 1.00 13.03 O ATOM 0 H GLY A 46 15.619 -17.584 -9.960 1.00 11.41 H new ATOM 0 HA2 GLY A 46 13.804 -17.684 -8.631 1.00 24.42 H new ATOM 0 HA3 GLY A 46 13.395 -19.246 -9.312 1.00 24.42 H new ATOM 722 N ASP A 47 15.948 -19.562 -7.442 1.00 31.34 N ATOM 723 CA ASP A 47 16.497 -20.204 -6.252 1.00 55.34 C ATOM 724 C ASP A 47 17.748 -19.477 -5.771 1.00 44.33 C ATOM 725 O ASP A 47 18.855 -20.014 -5.836 1.00 51.25 O ATOM 726 CB ASP A 47 16.823 -21.670 -6.542 1.00 53.30 C ATOM 727 CG ASP A 47 16.881 -22.510 -5.281 1.00 42.24 C ATOM 728 OD1 ASP A 47 16.296 -22.090 -4.261 1.00 41.14 O ATOM 729 OD2 ASP A 47 17.513 -23.587 -5.314 1.00 40.25 O ATOM 0 H ASP A 47 16.645 -19.302 -8.140 1.00 31.34 H new ATOM 0 HA ASP A 47 15.746 -20.156 -5.464 1.00 55.34 H new ATOM 0 HB2 ASP A 47 16.070 -22.081 -7.214 1.00 53.30 H new ATOM 0 HB3 ASP A 47 17.780 -21.731 -7.060 1.00 53.30 H new ATOM 734 N LEU A 48 17.567 -18.252 -5.290 1.00 34.15 N ATOM 735 CA LEU A 48 18.682 -17.450 -4.798 1.00 54.01 C ATOM 736 C LEU A 48 18.614 -17.295 -3.282 1.00 44.12 C ATOM 737 O LEU A 48 19.624 -17.428 -2.588 1.00 54.44 O ATOM 738 CB LEU A 48 18.677 -16.073 -5.464 1.00 1.32 C ATOM 739 CG LEU A 48 18.655 -16.066 -6.993 1.00 24.33 C ATOM 740 CD1 LEU A 48 17.528 -15.185 -7.507 1.00 34.12 C ATOM 741 CD2 LEU A 48 19.994 -15.597 -7.543 1.00 64.31 C ATOM 0 H LEU A 48 16.658 -17.792 -5.230 1.00 34.15 H new ATOM 0 HA LEU A 48 19.608 -17.966 -5.050 1.00 54.01 H new ATOM 0 HB2 LEU A 48 17.808 -15.522 -5.106 1.00 1.32 H new ATOM 0 HB3 LEU A 48 19.560 -15.527 -5.131 1.00 1.32 H new ATOM 0 HG LEU A 48 18.479 -17.084 -7.339 1.00 24.33 H new ATOM 0 HD11 LEU A 48 17.528 -15.193 -8.597 1.00 34.12 H new ATOM 0 HD12 LEU A 48 16.574 -15.565 -7.142 1.00 34.12 H new ATOM 0 HD13 LEU A 48 17.672 -14.165 -7.151 1.00 34.12 H new ATOM 0 HD21 LEU A 48 19.960 -15.598 -8.632 1.00 64.31 H new ATOM 0 HD22 LEU A 48 20.200 -14.587 -7.187 1.00 64.31 H new ATOM 0 HD23 LEU A 48 20.782 -16.269 -7.204 1.00 64.31 H new ATOM 753 N LEU A 49 17.419 -17.015 -2.774 1.00 24.52 N ATOM 754 CA LEU A 49 17.219 -16.845 -1.339 1.00 3.41 C ATOM 755 C LEU A 49 15.829 -17.315 -0.923 1.00 41.01 C ATOM 756 O LEU A 49 15.007 -17.672 -1.766 1.00 52.41 O ATOM 757 CB LEU A 49 17.412 -15.378 -0.948 1.00 61.31 C ATOM 758 CG LEU A 49 18.852 -14.865 -0.958 1.00 4.11 C ATOM 759 CD1 LEU A 49 19.239 -14.386 -2.349 1.00 12.35 C ATOM 760 CD2 LEU A 49 19.027 -13.748 0.061 1.00 65.22 C ATOM 0 H LEU A 49 16.574 -16.901 -3.334 1.00 24.52 H new ATOM 0 HA LEU A 49 17.959 -17.454 -0.819 1.00 3.41 H new ATOM 0 HB2 LEU A 49 16.823 -14.761 -1.627 1.00 61.31 H new ATOM 0 HB3 LEU A 49 17.002 -15.232 0.052 1.00 61.31 H new ATOM 0 HG LEU A 49 19.512 -15.687 -0.683 1.00 4.11 H new ATOM 0 HD11 LEU A 49 20.267 -14.025 -2.336 1.00 12.35 H new ATOM 0 HD12 LEU A 49 19.153 -15.212 -3.055 1.00 12.35 H new ATOM 0 HD13 LEU A 49 18.574 -13.578 -2.654 1.00 12.35 H new ATOM 0 HD21 LEU A 49 20.058 -13.395 0.040 1.00 65.22 H new ATOM 0 HD22 LEU A 49 18.356 -12.924 -0.183 1.00 65.22 H new ATOM 0 HD23 LEU A 49 18.792 -14.124 1.057 1.00 65.22 H new ATOM 772 N GLU A 50 15.574 -17.311 0.382 1.00 40.45 N ATOM 773 CA GLU A 50 14.282 -17.736 0.908 1.00 4.41 C ATOM 774 C GLU A 50 13.984 -17.049 2.238 1.00 64.20 C ATOM 775 O GLU A 50 14.897 -16.694 2.984 1.00 12.41 O ATOM 776 CB GLU A 50 14.255 -19.255 1.088 1.00 1.24 C ATOM 777 CG GLU A 50 13.205 -19.950 0.238 1.00 10.11 C ATOM 778 CD GLU A 50 11.898 -20.157 0.979 1.00 62.02 C ATOM 779 OE1 GLU A 50 11.697 -19.498 2.021 1.00 74.24 O ATOM 780 OE2 GLU A 50 11.078 -20.977 0.518 1.00 74.44 O ATOM 0 H GLU A 50 16.244 -17.019 1.093 1.00 40.45 H new ATOM 0 HA GLU A 50 13.513 -17.449 0.190 1.00 4.41 H new ATOM 0 HB2 GLU A 50 15.237 -19.659 0.840 1.00 1.24 H new ATOM 0 HB3 GLU A 50 14.071 -19.485 2.137 1.00 1.24 H new ATOM 0 HG2 GLU A 50 13.020 -19.359 -0.659 1.00 10.11 H new ATOM 0 HG3 GLU A 50 13.589 -20.916 -0.090 1.00 10.11 H new ATOM 787 N VAL A 51 12.700 -16.865 2.528 1.00 61.52 N ATOM 788 CA VAL A 51 12.280 -16.222 3.767 1.00 25.42 C ATOM 789 C VAL A 51 11.849 -17.254 4.803 1.00 71.40 C ATOM 790 O VAL A 51 11.268 -18.284 4.463 1.00 31.12 O ATOM 791 CB VAL A 51 11.120 -15.239 3.524 1.00 3.13 C ATOM 792 CG1 VAL A 51 9.976 -15.931 2.799 1.00 2.02 C ATOM 793 CG2 VAL A 51 10.645 -14.641 4.840 1.00 72.21 C ATOM 0 H VAL A 51 11.932 -17.152 1.921 1.00 61.52 H new ATOM 0 HA VAL A 51 13.141 -15.670 4.145 1.00 25.42 H new ATOM 0 HB VAL A 51 11.480 -14.428 2.891 1.00 3.13 H new ATOM 0 HG11 VAL A 51 9.166 -15.220 2.636 1.00 2.02 H new ATOM 0 HG12 VAL A 51 10.328 -16.306 1.838 1.00 2.02 H new ATOM 0 HG13 VAL A 51 9.613 -16.763 3.402 1.00 2.02 H new ATOM 0 HG21 VAL A 51 9.825 -13.949 4.650 1.00 72.21 H new ATOM 0 HG22 VAL A 51 10.301 -15.438 5.499 1.00 72.21 H new ATOM 0 HG23 VAL A 51 11.468 -14.107 5.315 1.00 72.21 H new ATOM 803 N ASN A 52 12.137 -16.970 6.069 1.00 61.40 N ATOM 804 CA ASN A 52 11.779 -17.874 7.156 1.00 75.32 C ATOM 805 C ASN A 52 10.507 -17.405 7.857 1.00 42.13 C ATOM 806 O ASN A 52 10.444 -16.286 8.368 1.00 71.00 O ATOM 807 CB ASN A 52 12.924 -17.972 8.165 1.00 4.30 C ATOM 808 CG ASN A 52 12.620 -18.938 9.293 1.00 25.53 C ATOM 809 OD1 ASN A 52 11.613 -19.646 9.265 1.00 4.11 O ATOM 810 ND2 ASN A 52 13.493 -18.972 10.294 1.00 33.41 N ATOM 0 H ASN A 52 12.617 -16.121 6.367 1.00 61.40 H new ATOM 0 HA ASN A 52 11.595 -18.860 6.729 1.00 75.32 H new ATOM 0 HB2 ASN A 52 13.831 -18.291 7.651 1.00 4.30 H new ATOM 0 HB3 ASN A 52 13.124 -16.984 8.580 1.00 4.30 H new ATOM 0 HD21 ASN A 52 13.342 -19.603 11.081 1.00 33.41 H new ATOM 0 HD22 ASN A 52 14.314 -18.367 10.275 1.00 33.41 H new ATOM 817 N LEU A 53 9.497 -18.267 7.877 1.00 30.23 N ATOM 818 CA LEU A 53 8.226 -17.942 8.516 1.00 24.13 C ATOM 819 C LEU A 53 8.369 -17.927 10.035 1.00 52.21 C ATOM 820 O LEU A 53 7.450 -17.526 10.749 1.00 23.33 O ATOM 821 CB LEU A 53 7.153 -18.950 8.103 1.00 33.44 C ATOM 822 CG LEU A 53 6.384 -18.625 6.822 1.00 30.42 C ATOM 823 CD1 LEU A 53 6.542 -19.746 5.806 1.00 44.40 C ATOM 824 CD2 LEU A 53 4.913 -18.385 7.129 1.00 30.42 C ATOM 0 H LEU A 53 9.533 -19.196 7.458 1.00 30.23 H new ATOM 0 HA LEU A 53 7.926 -16.947 8.188 1.00 24.13 H new ATOM 0 HB2 LEU A 53 7.626 -19.925 7.982 1.00 33.44 H new ATOM 0 HB3 LEU A 53 6.437 -19.043 8.919 1.00 33.44 H new ATOM 0 HG LEU A 53 6.799 -17.712 6.394 1.00 30.42 H new ATOM 0 HD11 LEU A 53 5.988 -19.497 4.901 1.00 44.40 H new ATOM 0 HD12 LEU A 53 7.597 -19.871 5.563 1.00 44.40 H new ATOM 0 HD13 LEU A 53 6.154 -20.674 6.225 1.00 44.40 H new ATOM 0 HD21 LEU A 53 4.381 -18.155 6.206 1.00 30.42 H new ATOM 0 HD22 LEU A 53 4.485 -19.280 7.581 1.00 30.42 H new ATOM 0 HD23 LEU A 53 4.818 -17.548 7.821 1.00 30.42 H new ATOM 836 N GLN A 54 9.527 -18.364 10.520 1.00 54.41 N ATOM 837 CA GLN A 54 9.789 -18.398 11.954 1.00 61.32 C ATOM 838 C GLN A 54 9.804 -16.990 12.539 1.00 52.12 C ATOM 839 O GLN A 54 9.009 -16.665 13.419 1.00 15.03 O ATOM 840 CB GLN A 54 11.123 -19.093 12.233 1.00 60.13 C ATOM 841 CG GLN A 54 11.227 -19.670 13.635 1.00 33.42 C ATOM 842 CD GLN A 54 11.882 -18.715 14.613 1.00 45.14 C ATOM 843 OE1 GLN A 54 11.207 -17.928 15.277 1.00 45.34 O ATOM 844 NE2 GLN A 54 13.205 -18.779 14.706 1.00 25.13 N ATOM 0 H GLN A 54 10.298 -18.699 9.942 1.00 54.41 H new ATOM 0 HA GLN A 54 8.987 -18.961 12.431 1.00 61.32 H new ATOM 0 HB2 GLN A 54 11.264 -19.895 11.508 1.00 60.13 H new ATOM 0 HB3 GLN A 54 11.933 -18.380 12.082 1.00 60.13 H new ATOM 0 HG2 GLN A 54 10.230 -19.924 13.994 1.00 33.42 H new ATOM 0 HG3 GLN A 54 11.799 -20.597 13.600 1.00 33.42 H new ATOM 0 HE21 GLN A 54 13.725 -19.447 14.136 1.00 25.13 H new ATOM 0 HE22 GLN A 54 13.702 -18.160 15.347 1.00 25.13 H new ATOM 853 N ASN A 55 10.714 -16.158 12.043 1.00 1.00 N ATOM 854 CA ASN A 55 10.833 -14.784 12.518 1.00 72.14 C ATOM 855 C ASN A 55 10.564 -13.794 11.389 1.00 43.53 C ATOM 856 O ASN A 55 10.177 -12.651 11.630 1.00 3.02 O ATOM 857 CB ASN A 55 12.226 -14.543 13.102 1.00 1.01 C ATOM 858 CG ASN A 55 12.174 -14.019 14.524 1.00 13.50 C ATOM 859 OD1 ASN A 55 11.700 -14.702 15.432 1.00 5.44 O ATOM 860 ND2 ASN A 55 12.661 -12.799 14.723 1.00 30.31 N ATOM 0 H ASN A 55 11.380 -16.411 11.313 1.00 1.00 H new ATOM 0 HA ASN A 55 10.088 -14.629 13.299 1.00 72.14 H new ATOM 0 HB2 ASN A 55 12.792 -15.474 13.081 1.00 1.01 H new ATOM 0 HB3 ASN A 55 12.762 -13.831 12.475 1.00 1.01 H new ATOM 0 HD21 ASN A 55 12.652 -12.392 15.658 1.00 30.31 H new ATOM 0 HD22 ASN A 55 13.044 -12.269 13.940 1.00 30.31 H new ATOM 867 N GLY A 56 10.772 -14.241 10.154 1.00 44.11 N ATOM 868 CA GLY A 56 10.548 -13.382 9.006 1.00 54.00 C ATOM 869 C GLY A 56 11.841 -12.940 8.351 1.00 50.33 C ATOM 870 O GLY A 56 11.839 -12.471 7.212 1.00 12.32 O ATOM 0 H GLY A 56 11.092 -15.183 9.928 1.00 44.11 H new ATOM 0 HA2 GLY A 56 9.936 -13.910 8.275 1.00 54.00 H new ATOM 0 HA3 GLY A 56 9.984 -12.503 9.318 1.00 54.00 H new ATOM 874 N ILE A 57 12.948 -13.087 9.071 1.00 72.32 N ATOM 875 CA ILE A 57 14.253 -12.699 8.552 1.00 4.22 C ATOM 876 C ILE A 57 14.564 -13.423 7.247 1.00 62.22 C ATOM 877 O ILE A 57 14.140 -14.561 7.039 1.00 51.31 O ATOM 878 CB ILE A 57 15.373 -12.993 9.568 1.00 11.53 C ATOM 879 CG1 ILE A 57 16.703 -12.421 9.073 1.00 24.45 C ATOM 880 CG2 ILE A 57 15.490 -14.490 9.809 1.00 20.12 C ATOM 881 CD1 ILE A 57 16.661 -10.932 8.811 1.00 25.22 C ATOM 0 H ILE A 57 12.967 -13.472 10.015 1.00 72.32 H new ATOM 0 HA ILE A 57 14.212 -11.625 8.368 1.00 4.22 H new ATOM 0 HB ILE A 57 15.122 -12.512 10.513 1.00 11.53 H new ATOM 0 HG12 ILE A 57 17.476 -12.630 9.812 1.00 24.45 H new ATOM 0 HG13 ILE A 57 16.991 -12.935 8.156 1.00 24.45 H new ATOM 0 HG21 ILE A 57 16.286 -14.682 10.529 1.00 20.12 H new ATOM 0 HG22 ILE A 57 14.547 -14.870 10.201 1.00 20.12 H new ATOM 0 HG23 ILE A 57 15.722 -14.993 8.870 1.00 20.12 H new ATOM 0 HD11 ILE A 57 17.638 -10.596 8.463 1.00 25.22 H new ATOM 0 HD12 ILE A 57 15.911 -10.718 8.050 1.00 25.22 H new ATOM 0 HD13 ILE A 57 16.404 -10.408 9.731 1.00 25.22 H new ATOM 893 N LEU A 58 15.309 -12.758 6.370 1.00 34.04 N ATOM 894 CA LEU A 58 15.679 -13.339 5.084 1.00 11.15 C ATOM 895 C LEU A 58 17.075 -13.950 5.145 1.00 43.43 C ATOM 896 O LEU A 58 18.044 -13.277 5.500 1.00 34.31 O ATOM 897 CB LEU A 58 15.622 -12.275 3.987 1.00 41.02 C ATOM 898 CG LEU A 58 15.208 -12.764 2.599 1.00 73.33 C ATOM 899 CD1 LEU A 58 16.232 -13.745 2.051 1.00 63.34 C ATOM 900 CD2 LEU A 58 13.828 -13.404 2.649 1.00 53.14 C ATOM 0 H LEU A 58 15.668 -11.816 6.526 1.00 34.04 H new ATOM 0 HA LEU A 58 14.966 -14.130 4.851 1.00 11.15 H new ATOM 0 HB2 LEU A 58 14.925 -11.497 4.299 1.00 41.02 H new ATOM 0 HB3 LEU A 58 16.605 -11.810 3.908 1.00 41.02 H new ATOM 0 HG LEU A 58 15.165 -11.904 1.930 1.00 73.33 H new ATOM 0 HD11 LEU A 58 15.920 -14.082 1.062 1.00 63.34 H new ATOM 0 HD12 LEU A 58 17.203 -13.255 1.978 1.00 63.34 H new ATOM 0 HD13 LEU A 58 16.308 -14.603 2.719 1.00 63.34 H new ATOM 0 HD21 LEU A 58 13.549 -13.746 1.652 1.00 53.14 H new ATOM 0 HD22 LEU A 58 13.845 -14.253 3.333 1.00 53.14 H new ATOM 0 HD23 LEU A 58 13.100 -12.672 2.998 1.00 53.14 H new ATOM 912 N PHE A 59 17.172 -15.228 4.793 1.00 2.51 N ATOM 913 CA PHE A 59 18.451 -15.929 4.806 1.00 75.11 C ATOM 914 C PHE A 59 18.814 -16.422 3.408 1.00 21.55 C ATOM 915 O PHE A 59 17.949 -16.571 2.546 1.00 73.34 O ATOM 916 CB PHE A 59 18.399 -17.109 5.778 1.00 20.33 C ATOM 917 CG PHE A 59 17.527 -18.237 5.306 1.00 30.42 C ATOM 918 CD1 PHE A 59 16.148 -18.153 5.407 1.00 54.05 C ATOM 919 CD2 PHE A 59 18.086 -19.382 4.762 1.00 45.04 C ATOM 920 CE1 PHE A 59 15.343 -19.190 4.974 1.00 40.05 C ATOM 921 CE2 PHE A 59 17.287 -20.422 4.326 1.00 31.15 C ATOM 922 CZ PHE A 59 15.913 -20.325 4.432 1.00 63.43 C ATOM 0 H PHE A 59 16.381 -15.799 4.495 1.00 2.51 H new ATOM 0 HA PHE A 59 19.219 -15.229 5.136 1.00 75.11 H new ATOM 0 HB2 PHE A 59 19.410 -17.484 5.936 1.00 20.33 H new ATOM 0 HB3 PHE A 59 18.035 -16.758 6.743 1.00 20.33 H new ATOM 0 HD1 PHE A 59 15.697 -17.267 5.829 1.00 54.05 H new ATOM 0 HD2 PHE A 59 19.160 -19.463 4.678 1.00 45.04 H new ATOM 0 HE1 PHE A 59 14.269 -19.113 5.060 1.00 40.05 H new ATOM 0 HE2 PHE A 59 17.736 -21.309 3.903 1.00 31.15 H new ATOM 0 HZ PHE A 59 15.286 -21.136 4.092 1.00 63.43 H new ATOM 932 N VAL A 60 20.101 -16.674 3.193 1.00 64.15 N ATOM 933 CA VAL A 60 20.581 -17.151 1.901 1.00 70.21 C ATOM 934 C VAL A 60 20.023 -18.534 1.585 1.00 64.45 C ATOM 935 O VAL A 60 19.866 -19.369 2.474 1.00 34.40 O ATOM 936 CB VAL A 60 22.120 -17.208 1.860 1.00 74.13 C ATOM 937 CG1 VAL A 60 22.597 -17.793 0.539 1.00 2.41 C ATOM 938 CG2 VAL A 60 22.710 -15.824 2.084 1.00 32.11 C ATOM 0 H VAL A 60 20.830 -16.556 3.896 1.00 64.15 H new ATOM 0 HA VAL A 60 20.232 -16.441 1.151 1.00 70.21 H new ATOM 0 HB VAL A 60 22.464 -17.859 2.664 1.00 74.13 H new ATOM 0 HG11 VAL A 60 23.686 -17.826 0.528 1.00 2.41 H new ATOM 0 HG12 VAL A 60 22.203 -18.803 0.425 1.00 2.41 H new ATOM 0 HG13 VAL A 60 22.244 -17.170 -0.283 1.00 2.41 H new ATOM 0 HG21 VAL A 60 23.798 -15.883 2.052 1.00 32.11 H new ATOM 0 HG22 VAL A 60 22.360 -15.149 1.303 1.00 32.11 H new ATOM 0 HG23 VAL A 60 22.396 -15.448 3.057 1.00 32.11 H new ATOM 948 N ASN A 61 19.727 -18.770 0.310 1.00 2.34 N ATOM 949 CA ASN A 61 19.187 -20.053 -0.124 1.00 51.33 C ATOM 950 C ASN A 61 19.818 -20.490 -1.442 1.00 63.34 C ATOM 951 O ASN A 61 19.179 -21.153 -2.259 1.00 32.20 O ATOM 952 CB ASN A 61 17.667 -19.964 -0.279 1.00 3.34 C ATOM 953 CG ASN A 61 17.007 -21.329 -0.297 1.00 42.13 C ATOM 954 OD1 ASN A 61 17.185 -22.130 0.621 1.00 44.52 O ATOM 955 ND2 ASN A 61 16.240 -21.601 -1.347 1.00 10.44 N ATOM 0 H ASN A 61 19.852 -18.090 -0.440 1.00 2.34 H new ATOM 0 HA ASN A 61 19.425 -20.796 0.637 1.00 51.33 H new ATOM 0 HB2 ASN A 61 17.255 -19.375 0.540 1.00 3.34 H new ATOM 0 HB3 ASN A 61 17.429 -19.436 -1.202 1.00 3.34 H new ATOM 0 HD21 ASN A 61 15.770 -22.504 -1.415 1.00 10.44 H new ATOM 0 HD22 ASN A 61 16.121 -20.907 -2.085 1.00 10.44 H new ATOM 962 N SER A 62 21.078 -20.115 -1.642 1.00 73.04 N ATOM 963 CA SER A 62 21.795 -20.466 -2.862 1.00 42.25 C ATOM 964 C SER A 62 23.256 -20.036 -2.776 1.00 45.40 C ATOM 965 O SER A 62 23.739 -19.649 -1.711 1.00 61.05 O ATOM 966 CB SER A 62 21.131 -19.813 -4.076 1.00 15.21 C ATOM 967 OG SER A 62 21.721 -18.558 -4.367 1.00 65.25 O ATOM 0 H SER A 62 21.623 -19.568 -0.975 1.00 73.04 H new ATOM 0 HA SER A 62 21.758 -21.549 -2.976 1.00 42.25 H new ATOM 0 HB2 SER A 62 21.221 -20.470 -4.941 1.00 15.21 H new ATOM 0 HB3 SER A 62 20.066 -19.682 -3.885 1.00 15.21 H new ATOM 0 HG SER A 62 21.307 -17.865 -3.811 1.00 65.25 H new ATOM 973 N ARG A 63 23.955 -20.106 -3.904 1.00 62.13 N ATOM 974 CA ARG A 63 25.362 -19.726 -3.957 1.00 54.40 C ATOM 975 C ARG A 63 25.511 -18.216 -4.122 1.00 75.04 C ATOM 976 O ARG A 63 24.916 -17.619 -5.020 1.00 51.50 O ATOM 977 CB ARG A 63 26.064 -20.447 -5.108 1.00 63.33 C ATOM 978 CG ARG A 63 25.969 -21.962 -5.026 1.00 74.05 C ATOM 979 CD ARG A 63 27.203 -22.564 -4.373 1.00 12.33 C ATOM 980 NE ARG A 63 27.514 -23.888 -4.905 1.00 15.22 N ATOM 981 CZ ARG A 63 28.547 -24.618 -4.501 1.00 43.13 C ATOM 982 NH1 ARG A 63 29.365 -24.155 -3.566 1.00 21.11 N ATOM 983 NH2 ARG A 63 28.764 -25.814 -5.033 1.00 43.13 N ATOM 0 H ARG A 63 23.570 -20.422 -4.794 1.00 62.13 H new ATOM 0 HA ARG A 63 25.828 -20.019 -3.016 1.00 54.40 H new ATOM 0 HB2 ARG A 63 25.631 -20.115 -6.052 1.00 63.33 H new ATOM 0 HB3 ARG A 63 27.115 -20.157 -5.120 1.00 63.33 H new ATOM 0 HG2 ARG A 63 25.082 -22.242 -4.457 1.00 74.05 H new ATOM 0 HG3 ARG A 63 25.848 -22.375 -6.028 1.00 74.05 H new ATOM 0 HD2 ARG A 63 28.055 -21.902 -4.529 1.00 12.33 H new ATOM 0 HD3 ARG A 63 27.046 -22.634 -3.297 1.00 12.33 H new ATOM 0 HE ARG A 63 26.904 -24.273 -5.626 1.00 15.22 H new ATOM 0 HH11 ARG A 63 29.202 -23.236 -3.155 1.00 21.11 H new ATOM 0 HH12 ARG A 63 30.158 -24.718 -3.258 1.00 21.11 H new ATOM 0 HH21 ARG A 63 28.137 -26.173 -5.753 1.00 43.13 H new ATOM 0 HH22 ARG A 63 29.558 -26.374 -4.722 1.00 43.13 H new ATOM 997 N ILE A 64 26.307 -17.606 -3.251 1.00 31.41 N ATOM 998 CA ILE A 64 26.534 -16.167 -3.301 1.00 60.41 C ATOM 999 C ILE A 64 27.943 -15.850 -3.790 1.00 61.12 C ATOM 1000 O ILE A 64 28.227 -14.729 -4.213 1.00 33.02 O ATOM 1001 CB ILE A 64 26.323 -15.516 -1.922 1.00 15.42 C ATOM 1002 CG1 ILE A 64 24.941 -15.874 -1.370 1.00 60.25 C ATOM 1003 CG2 ILE A 64 26.485 -14.006 -2.019 1.00 33.11 C ATOM 1004 CD1 ILE A 64 23.803 -15.470 -2.281 1.00 43.55 C ATOM 0 H ILE A 64 26.806 -18.086 -2.502 1.00 31.41 H new ATOM 0 HA ILE A 64 25.807 -15.757 -4.002 1.00 60.41 H new ATOM 0 HB ILE A 64 27.078 -15.900 -1.236 1.00 15.42 H new ATOM 0 HG12 ILE A 64 24.894 -16.950 -1.199 1.00 60.25 H new ATOM 0 HG13 ILE A 64 24.809 -15.391 -0.402 1.00 60.25 H new ATOM 0 HG21 ILE A 64 26.333 -13.560 -1.036 1.00 33.11 H new ATOM 0 HG22 ILE A 64 27.488 -13.770 -2.373 1.00 33.11 H new ATOM 0 HG23 ILE A 64 25.750 -13.605 -2.717 1.00 33.11 H new ATOM 0 HD11 ILE A 64 22.854 -15.755 -1.826 1.00 43.55 H new ATOM 0 HD12 ILE A 64 23.824 -14.391 -2.432 1.00 43.55 H new ATOM 0 HD13 ILE A 64 23.910 -15.973 -3.242 1.00 43.55 H new ATOM 1016 N ASP A 65 28.822 -16.845 -3.731 1.00 53.35 N ATOM 1017 CA ASP A 65 30.201 -16.673 -4.171 1.00 64.04 C ATOM 1018 C ASP A 65 30.255 -16.014 -5.546 1.00 4.40 C ATOM 1019 O ASP A 65 29.445 -16.316 -6.422 1.00 43.44 O ATOM 1020 CB ASP A 65 30.918 -18.024 -4.211 1.00 42.43 C ATOM 1021 CG ASP A 65 31.376 -18.477 -2.839 1.00 34.01 C ATOM 1022 OD1 ASP A 65 30.508 -18.706 -1.970 1.00 42.34 O ATOM 1023 OD2 ASP A 65 32.601 -18.602 -2.633 1.00 62.40 O ATOM 0 H ASP A 65 28.604 -17.779 -3.383 1.00 53.35 H new ATOM 0 HA ASP A 65 30.706 -16.023 -3.456 1.00 64.04 H new ATOM 0 HB2 ASP A 65 30.250 -18.774 -4.634 1.00 42.43 H new ATOM 0 HB3 ASP A 65 31.780 -17.955 -4.874 1.00 42.43 H new ATOM 1028 N ARG A 66 31.214 -15.111 -5.727 1.00 24.45 N ATOM 1029 CA ARG A 66 31.373 -14.408 -6.993 1.00 55.45 C ATOM 1030 C ARG A 66 31.369 -15.387 -8.164 1.00 14.04 C ATOM 1031 O ARG A 66 30.886 -15.069 -9.250 1.00 14.44 O ATOM 1032 CB ARG A 66 32.672 -13.601 -6.994 1.00 42.33 C ATOM 1033 CG ARG A 66 33.861 -14.359 -6.427 1.00 34.44 C ATOM 1034 CD ARG A 66 35.176 -13.816 -6.962 1.00 10.53 C ATOM 1035 NE ARG A 66 36.179 -14.865 -7.118 1.00 23.22 N ATOM 1036 CZ ARG A 66 37.465 -14.624 -7.349 1.00 71.42 C ATOM 1037 NH1 ARG A 66 37.901 -13.377 -7.451 1.00 3.45 N ATOM 1038 NH2 ARG A 66 38.317 -15.633 -7.479 1.00 62.14 N ATOM 0 H ARG A 66 31.893 -14.850 -5.012 1.00 24.45 H new ATOM 0 HA ARG A 66 30.530 -13.727 -7.109 1.00 55.45 H new ATOM 0 HB2 ARG A 66 32.900 -13.297 -8.016 1.00 42.33 H new ATOM 0 HB3 ARG A 66 32.524 -12.689 -6.415 1.00 42.33 H new ATOM 0 HG2 ARG A 66 33.853 -14.289 -5.339 1.00 34.44 H new ATOM 0 HG3 ARG A 66 33.773 -15.416 -6.679 1.00 34.44 H new ATOM 0 HD2 ARG A 66 35.004 -13.333 -7.924 1.00 10.53 H new ATOM 0 HD3 ARG A 66 35.554 -13.051 -6.284 1.00 10.53 H new ATOM 0 HE ARG A 66 35.876 -15.836 -7.046 1.00 23.22 H new ATOM 0 HH11 ARG A 66 37.249 -12.599 -7.352 1.00 3.45 H new ATOM 0 HH12 ARG A 66 38.889 -13.195 -7.628 1.00 3.45 H new ATOM 0 HH21 ARG A 66 37.985 -16.594 -7.402 1.00 62.14 H new ATOM 0 HH22 ARG A 66 39.304 -15.447 -7.656 1.00 62.14 H new ATOM 1052 N GLU A 67 31.911 -16.579 -7.933 1.00 51.31 N ATOM 1053 CA GLU A 67 31.971 -17.603 -8.969 1.00 73.20 C ATOM 1054 C GLU A 67 30.569 -17.992 -9.432 1.00 4.34 C ATOM 1055 O GLU A 67 30.306 -18.092 -10.629 1.00 41.24 O ATOM 1056 CB GLU A 67 32.710 -18.839 -8.453 1.00 22.31 C ATOM 1057 CG GLU A 67 33.835 -19.300 -9.364 1.00 45.01 C ATOM 1058 CD GLU A 67 35.131 -18.553 -9.114 1.00 24.41 C ATOM 1059 OE1 GLU A 67 35.073 -17.429 -8.574 1.00 13.22 O ATOM 1060 OE2 GLU A 67 36.204 -19.093 -9.458 1.00 54.01 O ATOM 0 H GLU A 67 32.314 -16.859 -7.039 1.00 51.31 H new ATOM 0 HA GLU A 67 32.515 -17.192 -9.819 1.00 73.20 H new ATOM 0 HB2 GLU A 67 33.119 -18.622 -7.466 1.00 22.31 H new ATOM 0 HB3 GLU A 67 31.996 -19.654 -8.330 1.00 22.31 H new ATOM 0 HG2 GLU A 67 34.001 -20.367 -9.218 1.00 45.01 H new ATOM 0 HG3 GLU A 67 33.536 -19.163 -10.403 1.00 45.01 H new ATOM 1067 N GLU A 68 29.675 -18.210 -8.472 1.00 40.55 N ATOM 1068 CA GLU A 68 28.301 -18.589 -8.782 1.00 3.54 C ATOM 1069 C GLU A 68 27.457 -17.359 -9.104 1.00 0.13 C ATOM 1070 O GLU A 68 26.851 -17.270 -10.173 1.00 23.14 O ATOM 1071 CB GLU A 68 27.683 -19.352 -7.609 1.00 22.24 C ATOM 1072 CG GLU A 68 28.086 -20.816 -7.556 1.00 33.43 C ATOM 1073 CD GLU A 68 27.080 -21.723 -8.239 1.00 45.23 C ATOM 1074 OE1 GLU A 68 25.869 -21.433 -8.159 1.00 34.24 O ATOM 1075 OE2 GLU A 68 27.507 -22.722 -8.855 1.00 74.24 O ATOM 0 H GLU A 68 29.877 -18.131 -7.475 1.00 40.55 H new ATOM 0 HA GLU A 68 28.318 -19.236 -9.659 1.00 3.54 H new ATOM 0 HB2 GLU A 68 27.977 -18.869 -6.677 1.00 22.24 H new ATOM 0 HB3 GLU A 68 26.597 -19.285 -7.674 1.00 22.24 H new ATOM 0 HG2 GLU A 68 29.060 -20.938 -8.030 1.00 33.43 H new ATOM 0 HG3 GLU A 68 28.197 -21.121 -6.515 1.00 33.43 H new ATOM 1082 N LEU A 69 27.421 -16.413 -8.172 1.00 2.21 N ATOM 1083 CA LEU A 69 26.651 -15.187 -8.355 1.00 31.41 C ATOM 1084 C LEU A 69 26.914 -14.579 -9.729 1.00 31.03 C ATOM 1085 O LEU A 69 26.057 -14.620 -10.612 1.00 61.32 O ATOM 1086 CB LEU A 69 26.998 -14.176 -7.261 1.00 52.55 C ATOM 1087 CG LEU A 69 25.815 -13.451 -6.617 1.00 61.45 C ATOM 1088 CD1 LEU A 69 25.112 -12.568 -7.636 1.00 14.43 C ATOM 1089 CD2 LEU A 69 24.841 -14.453 -6.014 1.00 51.23 C ATOM 0 H LEU A 69 27.916 -16.471 -7.282 1.00 2.21 H new ATOM 0 HA LEU A 69 25.592 -15.438 -8.286 1.00 31.41 H new ATOM 0 HB2 LEU A 69 27.551 -14.694 -6.478 1.00 52.55 H new ATOM 0 HB3 LEU A 69 27.669 -13.429 -7.684 1.00 52.55 H new ATOM 0 HG LEU A 69 26.194 -12.816 -5.817 1.00 61.45 H new ATOM 0 HD11 LEU A 69 24.273 -12.060 -7.160 1.00 14.43 H new ATOM 0 HD12 LEU A 69 25.813 -11.828 -8.021 1.00 14.43 H new ATOM 0 HD13 LEU A 69 24.745 -13.182 -8.458 1.00 14.43 H new ATOM 0 HD21 LEU A 69 24.005 -13.920 -5.560 1.00 51.23 H new ATOM 0 HD22 LEU A 69 24.468 -15.114 -6.796 1.00 51.23 H new ATOM 0 HD23 LEU A 69 25.351 -15.044 -5.253 1.00 51.23 H new ATOM 1101 N CYS A 70 28.105 -14.016 -9.903 1.00 30.24 N ATOM 1102 CA CYS A 70 28.483 -13.401 -11.169 1.00 11.40 C ATOM 1103 C CYS A 70 29.996 -13.223 -11.257 1.00 51.13 C ATOM 1104 O CYS A 70 30.628 -13.663 -12.216 1.00 43.25 O ATOM 1105 CB CYS A 70 27.789 -12.046 -11.329 1.00 21.42 C ATOM 1106 SG CYS A 70 27.567 -11.136 -9.767 1.00 13.04 S ATOM 0 H CYS A 70 28.825 -13.973 -9.182 1.00 30.24 H new ATOM 0 HA CYS A 70 28.165 -14.062 -11.975 1.00 11.40 H new ATOM 0 HB2 CYS A 70 28.370 -11.431 -12.016 1.00 21.42 H new ATOM 0 HB3 CYS A 70 26.813 -12.202 -11.788 1.00 21.42 H new ATOM 1111 N GLY A 71 30.570 -12.574 -10.248 1.00 61.54 N ATOM 1112 CA GLY A 71 32.004 -12.350 -10.231 1.00 52.00 C ATOM 1113 C GLY A 71 32.463 -11.446 -11.358 1.00 13.23 C ATOM 1114 O GLY A 71 33.657 -11.354 -11.641 1.00 42.24 O ATOM 0 H GLY A 71 30.068 -12.200 -9.443 1.00 61.54 H new ATOM 0 HA2 GLY A 71 32.288 -11.908 -9.276 1.00 52.00 H new ATOM 0 HA3 GLY A 71 32.519 -13.308 -10.305 1.00 52.00 H new ATOM 1118 N ARG A 72 31.512 -10.778 -12.003 1.00 1.31 N ATOM 1119 CA ARG A 72 31.825 -9.879 -13.107 1.00 41.30 C ATOM 1120 C ARG A 72 32.391 -8.559 -12.590 1.00 72.21 C ATOM 1121 O ARG A 72 33.591 -8.304 -12.692 1.00 32.53 O ATOM 1122 CB ARG A 72 30.575 -9.615 -13.948 1.00 71.23 C ATOM 1123 CG ARG A 72 30.214 -10.762 -14.878 1.00 51.15 C ATOM 1124 CD ARG A 72 31.232 -10.913 -15.998 1.00 23.25 C ATOM 1125 NE ARG A 72 30.726 -10.408 -17.271 1.00 34.22 N ATOM 1126 CZ ARG A 72 29.809 -11.037 -17.998 1.00 52.31 C ATOM 1127 NH1 ARG A 72 29.301 -12.188 -17.580 1.00 12.31 N ATOM 1128 NH2 ARG A 72 29.398 -10.514 -19.146 1.00 41.43 N ATOM 0 H ARG A 72 30.519 -10.842 -11.780 1.00 1.31 H new ATOM 0 HA ARG A 72 32.579 -10.359 -13.730 1.00 41.30 H new ATOM 0 HB2 ARG A 72 29.734 -9.419 -13.283 1.00 71.23 H new ATOM 0 HB3 ARG A 72 30.729 -8.713 -14.540 1.00 71.23 H new ATOM 0 HG2 ARG A 72 30.158 -11.690 -14.308 1.00 51.15 H new ATOM 0 HG3 ARG A 72 29.226 -10.589 -15.304 1.00 51.15 H new ATOM 0 HD2 ARG A 72 32.144 -10.378 -15.733 1.00 23.25 H new ATOM 0 HD3 ARG A 72 31.499 -11.964 -16.106 1.00 23.25 H new ATOM 0 HE ARG A 72 31.097 -9.525 -17.621 1.00 34.22 H new ATOM 0 HH11 ARG A 72 29.614 -12.593 -16.698 1.00 12.31 H new ATOM 0 HH12 ARG A 72 28.597 -12.668 -18.141 1.00 12.31 H new ATOM 0 HH21 ARG A 72 29.786 -9.628 -19.471 1.00 41.43 H new ATOM 0 HH22 ARG A 72 28.694 -10.998 -19.704 1.00 41.43 H new ATOM 1142 N SER A 73 31.518 -7.724 -12.036 1.00 50.42 N ATOM 1143 CA SER A 73 31.929 -6.428 -11.507 1.00 64.53 C ATOM 1144 C SER A 73 31.913 -6.434 -9.982 1.00 34.42 C ATOM 1145 O SER A 73 31.175 -7.199 -9.361 1.00 72.33 O ATOM 1146 CB SER A 73 31.012 -5.324 -12.034 1.00 54.34 C ATOM 1147 OG SER A 73 31.682 -4.076 -12.066 1.00 41.32 O ATOM 0 H SER A 73 30.522 -7.921 -11.942 1.00 50.42 H new ATOM 0 HA SER A 73 32.948 -6.234 -11.841 1.00 64.53 H new ATOM 0 HB2 SER A 73 30.667 -5.581 -13.036 1.00 54.34 H new ATOM 0 HB3 SER A 73 30.127 -5.249 -11.402 1.00 54.34 H new ATOM 0 HG SER A 73 31.075 -3.387 -12.408 1.00 41.32 H new ATOM 1153 N ALA A 74 32.732 -5.576 -9.384 1.00 12.51 N ATOM 1154 CA ALA A 74 32.810 -5.479 -7.932 1.00 24.44 C ATOM 1155 C ALA A 74 31.426 -5.305 -7.317 1.00 73.22 C ATOM 1156 O ALA A 74 31.168 -5.766 -6.206 1.00 31.41 O ATOM 1157 CB ALA A 74 33.718 -4.327 -7.527 1.00 61.14 C ATOM 0 H ALA A 74 33.351 -4.938 -9.883 1.00 12.51 H new ATOM 0 HA ALA A 74 33.232 -6.410 -7.554 1.00 24.44 H new ATOM 0 HB1 ALA A 74 33.767 -4.267 -6.440 1.00 61.14 H new ATOM 0 HB2 ALA A 74 34.718 -4.495 -7.926 1.00 61.14 H new ATOM 0 HB3 ALA A 74 33.320 -3.393 -7.925 1.00 61.14 H new ATOM 1163 N GLU A 75 30.539 -4.636 -8.048 1.00 30.33 N ATOM 1164 CA GLU A 75 29.181 -4.401 -7.572 1.00 52.51 C ATOM 1165 C GLU A 75 28.165 -5.145 -8.435 1.00 5.25 C ATOM 1166 O GLU A 75 27.942 -4.794 -9.594 1.00 4.24 O ATOM 1167 CB GLU A 75 28.868 -2.903 -7.575 1.00 44.43 C ATOM 1168 CG GLU A 75 29.012 -2.248 -6.212 1.00 31.14 C ATOM 1169 CD GLU A 75 29.806 -0.957 -6.265 1.00 35.13 C ATOM 1170 OE1 GLU A 75 30.881 -0.948 -6.900 1.00 20.33 O ATOM 1171 OE2 GLU A 75 29.352 0.044 -5.672 1.00 31.23 O ATOM 0 H GLU A 75 30.736 -4.248 -8.970 1.00 30.33 H new ATOM 0 HA GLU A 75 29.111 -4.778 -6.552 1.00 52.51 H new ATOM 0 HB2 GLU A 75 29.532 -2.403 -8.281 1.00 44.43 H new ATOM 0 HB3 GLU A 75 27.850 -2.754 -7.935 1.00 44.43 H new ATOM 0 HG2 GLU A 75 28.022 -2.044 -5.805 1.00 31.14 H new ATOM 0 HG3 GLU A 75 29.501 -2.943 -5.529 1.00 31.14 H new ATOM 1178 N CYS A 76 27.553 -6.175 -7.861 1.00 22.22 N ATOM 1179 CA CYS A 76 26.562 -6.971 -8.575 1.00 43.12 C ATOM 1180 C CYS A 76 25.171 -6.768 -7.982 1.00 1.31 C ATOM 1181 O CYS A 76 24.990 -6.820 -6.765 1.00 50.05 O ATOM 1182 CB CYS A 76 26.938 -8.453 -8.528 1.00 35.45 C ATOM 1183 SG CYS A 76 27.090 -9.235 -10.166 1.00 52.10 S ATOM 0 H CYS A 76 27.726 -6.478 -6.903 1.00 22.22 H new ATOM 0 HA CYS A 76 26.546 -6.640 -9.613 1.00 43.12 H new ATOM 0 HB2 CYS A 76 27.884 -8.560 -7.997 1.00 35.45 H new ATOM 0 HB3 CYS A 76 26.186 -8.989 -7.950 1.00 35.45 H new ATOM 1188 N SER A 77 24.192 -6.536 -8.850 1.00 73.12 N ATOM 1189 CA SER A 77 22.817 -6.322 -8.413 1.00 3.53 C ATOM 1190 C SER A 77 21.953 -7.541 -8.719 1.00 51.35 C ATOM 1191 O SER A 77 22.068 -8.144 -9.787 1.00 12.30 O ATOM 1192 CB SER A 77 22.231 -5.083 -9.092 1.00 50.52 C ATOM 1193 OG SER A 77 23.200 -4.054 -9.201 1.00 14.15 O ATOM 0 H SER A 77 24.325 -6.491 -9.860 1.00 73.12 H new ATOM 0 HA SER A 77 22.825 -6.167 -7.334 1.00 3.53 H new ATOM 0 HB2 SER A 77 21.864 -5.347 -10.084 1.00 50.52 H new ATOM 0 HB3 SER A 77 21.375 -4.722 -8.521 1.00 50.52 H new ATOM 0 HG SER A 77 22.801 -3.274 -9.640 1.00 14.15 H new ATOM 1199 N ILE A 78 21.088 -7.897 -7.776 1.00 21.41 N ATOM 1200 CA ILE A 78 20.203 -9.043 -7.945 1.00 24.40 C ATOM 1201 C ILE A 78 18.740 -8.629 -7.833 1.00 20.53 C ATOM 1202 O ILE A 78 18.368 -7.859 -6.947 1.00 53.34 O ATOM 1203 CB ILE A 78 20.497 -10.139 -6.903 1.00 75.44 C ATOM 1204 CG1 ILE A 78 21.957 -10.587 -6.999 1.00 14.21 C ATOM 1205 CG2 ILE A 78 19.560 -11.322 -7.101 1.00 63.24 C ATOM 1206 CD1 ILE A 78 22.834 -10.026 -5.902 1.00 15.54 C ATOM 0 H ILE A 78 20.981 -7.409 -6.887 1.00 21.41 H new ATOM 0 HA ILE A 78 20.389 -9.442 -8.942 1.00 24.40 H new ATOM 0 HB ILE A 78 20.328 -9.728 -5.908 1.00 75.44 H new ATOM 0 HG12 ILE A 78 21.998 -11.676 -6.965 1.00 14.21 H new ATOM 0 HG13 ILE A 78 22.359 -10.283 -7.966 1.00 14.21 H new ATOM 0 HG21 ILE A 78 19.780 -12.088 -6.358 1.00 63.24 H new ATOM 0 HG22 ILE A 78 18.528 -10.991 -6.987 1.00 63.24 H new ATOM 0 HG23 ILE A 78 19.701 -11.735 -8.100 1.00 63.24 H new ATOM 0 HD11 ILE A 78 23.855 -10.385 -6.033 1.00 15.54 H new ATOM 0 HD12 ILE A 78 22.824 -8.937 -5.949 1.00 15.54 H new ATOM 0 HD13 ILE A 78 22.457 -10.351 -4.932 1.00 15.54 H new ATOM 1218 N HIS A 79 17.913 -9.148 -8.735 1.00 41.12 N ATOM 1219 CA HIS A 79 16.489 -8.834 -8.736 1.00 73.14 C ATOM 1220 C HIS A 79 15.659 -10.075 -8.423 1.00 74.33 C ATOM 1221 O HIS A 79 15.964 -11.173 -8.890 1.00 61.44 O ATOM 1222 CB HIS A 79 16.073 -8.257 -10.090 1.00 3.42 C ATOM 1223 CG HIS A 79 17.013 -7.212 -10.609 1.00 60.43 C ATOM 1224 ND1 HIS A 79 17.932 -7.457 -11.608 1.00 4.15 N ATOM 1225 CD2 HIS A 79 17.171 -5.913 -10.264 1.00 60.14 C ATOM 1226 CE1 HIS A 79 18.616 -6.354 -11.853 1.00 4.31 C ATOM 1227 NE2 HIS A 79 18.173 -5.402 -11.051 1.00 45.24 N ATOM 0 H HIS A 79 18.204 -9.788 -9.474 1.00 41.12 H new ATOM 0 HA HIS A 79 16.306 -8.090 -7.961 1.00 73.14 H new ATOM 0 HB2 HIS A 79 16.006 -9.067 -10.816 1.00 3.42 H new ATOM 0 HB3 HIS A 79 15.076 -7.826 -10.001 1.00 3.42 H new ATOM 0 HD2 HIS A 79 16.613 -5.378 -9.510 1.00 60.14 H new ATOM 0 HE1 HIS A 79 19.403 -6.248 -12.584 1.00 4.31 H new ATOM 0 HE2 HIS A 79 18.519 -4.443 -11.021 1.00 45.24 H new ATOM 1235 N LEU A 80 14.609 -9.894 -7.630 1.00 34.10 N ATOM 1236 CA LEU A 80 13.734 -11.000 -7.254 1.00 3.44 C ATOM 1237 C LEU A 80 12.288 -10.531 -7.128 1.00 20.52 C ATOM 1238 O LEU A 80 12.026 -9.353 -6.890 1.00 21.03 O ATOM 1239 CB LEU A 80 14.199 -11.617 -5.933 1.00 42.24 C ATOM 1240 CG LEU A 80 13.317 -12.728 -5.364 1.00 75.13 C ATOM 1241 CD1 LEU A 80 14.155 -13.729 -4.584 1.00 13.31 C ATOM 1242 CD2 LEU A 80 12.224 -12.142 -4.482 1.00 74.23 C ATOM 0 H LEU A 80 14.342 -8.992 -7.235 1.00 34.10 H new ATOM 0 HA LEU A 80 13.785 -11.755 -8.039 1.00 3.44 H new ATOM 0 HB2 LEU A 80 15.204 -12.015 -6.075 1.00 42.24 H new ATOM 0 HB3 LEU A 80 14.273 -10.823 -5.190 1.00 42.24 H new ATOM 0 HG LEU A 80 12.844 -13.251 -6.195 1.00 75.13 H new ATOM 0 HD11 LEU A 80 13.510 -14.512 -4.187 1.00 13.31 H new ATOM 0 HD12 LEU A 80 14.900 -14.173 -5.244 1.00 13.31 H new ATOM 0 HD13 LEU A 80 14.657 -13.220 -3.761 1.00 13.31 H new ATOM 0 HD21 LEU A 80 11.606 -12.947 -4.085 1.00 74.23 H new ATOM 0 HD22 LEU A 80 12.678 -11.593 -3.657 1.00 74.23 H new ATOM 0 HD23 LEU A 80 11.605 -11.465 -5.071 1.00 74.23 H new ATOM 1254 N GLU A 81 11.354 -11.464 -7.287 1.00 54.54 N ATOM 1255 CA GLU A 81 9.934 -11.145 -7.190 1.00 31.50 C ATOM 1256 C GLU A 81 9.212 -12.148 -6.294 1.00 1.32 C ATOM 1257 O GLU A 81 9.099 -13.327 -6.628 1.00 34.11 O ATOM 1258 CB GLU A 81 9.294 -11.135 -8.580 1.00 4.30 C ATOM 1259 CG GLU A 81 8.937 -9.743 -9.075 1.00 21.22 C ATOM 1260 CD GLU A 81 7.743 -9.745 -10.010 1.00 24.21 C ATOM 1261 OE1 GLU A 81 7.266 -10.845 -10.360 1.00 24.33 O ATOM 1262 OE2 GLU A 81 7.287 -8.648 -10.392 1.00 55.22 O ATOM 0 H GLU A 81 11.554 -12.445 -7.483 1.00 54.54 H new ATOM 0 HA GLU A 81 9.840 -10.153 -6.748 1.00 31.50 H new ATOM 0 HB2 GLU A 81 9.979 -11.599 -9.290 1.00 4.30 H new ATOM 0 HB3 GLU A 81 8.392 -11.747 -8.560 1.00 4.30 H new ATOM 0 HG2 GLU A 81 8.723 -9.101 -8.220 1.00 21.22 H new ATOM 0 HG3 GLU A 81 9.796 -9.313 -9.590 1.00 21.22 H new ATOM 1269 N VAL A 82 8.726 -11.669 -5.153 1.00 31.42 N ATOM 1270 CA VAL A 82 8.015 -12.522 -4.208 1.00 15.02 C ATOM 1271 C VAL A 82 6.515 -12.512 -4.480 1.00 74.44 C ATOM 1272 O VAL A 82 5.828 -11.530 -4.198 1.00 5.24 O ATOM 1273 CB VAL A 82 8.264 -12.078 -2.754 1.00 72.50 C ATOM 1274 CG1 VAL A 82 7.817 -13.159 -1.782 1.00 32.43 C ATOM 1275 CG2 VAL A 82 9.731 -11.737 -2.546 1.00 4.50 C ATOM 0 H VAL A 82 8.812 -10.695 -4.861 1.00 31.42 H new ATOM 0 HA VAL A 82 8.400 -13.533 -4.343 1.00 15.02 H new ATOM 0 HB VAL A 82 7.675 -11.182 -2.560 1.00 72.50 H new ATOM 0 HG11 VAL A 82 8.001 -12.828 -0.760 1.00 32.43 H new ATOM 0 HG12 VAL A 82 6.752 -13.351 -1.916 1.00 32.43 H new ATOM 0 HG13 VAL A 82 8.377 -14.074 -1.973 1.00 32.43 H new ATOM 0 HG21 VAL A 82 9.889 -11.425 -1.514 1.00 4.50 H new ATOM 0 HG22 VAL A 82 10.342 -12.614 -2.758 1.00 4.50 H new ATOM 0 HG23 VAL A 82 10.015 -10.926 -3.217 1.00 4.50 H new ATOM 1285 N ILE A 83 6.012 -13.612 -5.031 1.00 31.32 N ATOM 1286 CA ILE A 83 4.592 -13.731 -5.340 1.00 65.10 C ATOM 1287 C ILE A 83 3.797 -14.162 -4.113 1.00 14.13 C ATOM 1288 O ILE A 83 4.177 -15.098 -3.410 1.00 5.15 O ATOM 1289 CB ILE A 83 4.347 -14.740 -6.478 1.00 15.25 C ATOM 1290 CG1 ILE A 83 5.422 -14.597 -7.556 1.00 61.24 C ATOM 1291 CG2 ILE A 83 2.961 -14.539 -7.073 1.00 61.02 C ATOM 1292 CD1 ILE A 83 6.536 -15.613 -7.437 1.00 25.03 C ATOM 0 H ILE A 83 6.567 -14.433 -5.273 1.00 31.32 H new ATOM 0 HA ILE A 83 4.254 -12.745 -5.660 1.00 65.10 H new ATOM 0 HB ILE A 83 4.403 -15.749 -6.069 1.00 15.25 H new ATOM 0 HG12 ILE A 83 4.957 -14.693 -8.537 1.00 61.24 H new ATOM 0 HG13 ILE A 83 5.848 -13.595 -7.502 1.00 61.24 H new ATOM 0 HG21 ILE A 83 2.802 -15.259 -7.876 1.00 61.02 H new ATOM 0 HG22 ILE A 83 2.208 -14.686 -6.299 1.00 61.02 H new ATOM 0 HG23 ILE A 83 2.879 -13.528 -7.471 1.00 61.02 H new ATOM 0 HD11 ILE A 83 7.262 -15.452 -8.234 1.00 25.03 H new ATOM 0 HD12 ILE A 83 7.027 -15.503 -6.470 1.00 25.03 H new ATOM 0 HD13 ILE A 83 6.122 -16.618 -7.521 1.00 25.03 H new ATOM 1304 N VAL A 84 2.688 -13.473 -3.862 1.00 34.54 N ATOM 1305 CA VAL A 84 1.835 -13.786 -2.721 1.00 22.42 C ATOM 1306 C VAL A 84 0.396 -14.029 -3.160 1.00 72.05 C ATOM 1307 O VAL A 84 -0.168 -13.252 -3.931 1.00 51.11 O ATOM 1308 CB VAL A 84 1.858 -12.655 -1.676 1.00 54.43 C ATOM 1309 CG1 VAL A 84 3.178 -12.651 -0.921 1.00 32.12 C ATOM 1310 CG2 VAL A 84 1.612 -11.310 -2.343 1.00 50.34 C ATOM 0 H VAL A 84 2.359 -12.695 -4.433 1.00 34.54 H new ATOM 0 HA VAL A 84 2.232 -14.695 -2.270 1.00 22.42 H new ATOM 0 HB VAL A 84 1.057 -12.831 -0.958 1.00 54.43 H new ATOM 0 HG11 VAL A 84 3.175 -11.845 -0.187 1.00 32.12 H new ATOM 0 HG12 VAL A 84 3.308 -13.605 -0.411 1.00 32.12 H new ATOM 0 HG13 VAL A 84 3.998 -12.500 -1.623 1.00 32.12 H new ATOM 0 HG21 VAL A 84 1.631 -10.522 -1.590 1.00 50.34 H new ATOM 0 HG22 VAL A 84 2.389 -11.124 -3.084 1.00 50.34 H new ATOM 0 HG23 VAL A 84 0.639 -11.320 -2.833 1.00 50.34 H new ATOM 1320 N ASP A 85 -0.194 -15.112 -2.665 1.00 44.43 N ATOM 1321 CA ASP A 85 -1.569 -15.457 -3.005 1.00 51.44 C ATOM 1322 C ASP A 85 -2.524 -15.049 -1.888 1.00 22.04 C ATOM 1323 O ASP A 85 -2.474 -15.595 -0.786 1.00 32.55 O ATOM 1324 CB ASP A 85 -1.689 -16.958 -3.274 1.00 15.51 C ATOM 1325 CG ASP A 85 -2.321 -17.256 -4.619 1.00 70.14 C ATOM 1326 OD1 ASP A 85 -1.975 -16.569 -5.603 1.00 65.25 O ATOM 1327 OD2 ASP A 85 -3.161 -18.177 -4.689 1.00 32.23 O ATOM 0 H ASP A 85 0.259 -15.766 -2.027 1.00 44.43 H new ATOM 0 HA ASP A 85 -1.842 -14.911 -3.908 1.00 51.44 H new ATOM 0 HB2 ASP A 85 -0.699 -17.412 -3.232 1.00 15.51 H new ATOM 0 HB3 ASP A 85 -2.284 -17.419 -2.486 1.00 15.51 H new ATOM 1332 N ARG A 86 -3.391 -14.085 -2.179 1.00 72.33 N ATOM 1333 CA ARG A 86 -4.356 -13.603 -1.198 1.00 44.11 C ATOM 1334 C ARG A 86 -3.654 -12.852 -0.070 1.00 32.21 C ATOM 1335 O ARG A 86 -3.333 -13.414 0.977 1.00 32.43 O ATOM 1336 CB ARG A 86 -5.160 -14.771 -0.625 1.00 21.11 C ATOM 1337 CG ARG A 86 -6.635 -14.732 -0.989 1.00 50.14 C ATOM 1338 CD ARG A 86 -6.840 -14.827 -2.493 1.00 70.31 C ATOM 1339 NE ARG A 86 -7.477 -13.630 -3.036 1.00 22.32 N ATOM 1340 CZ ARG A 86 -8.778 -13.380 -2.936 1.00 24.32 C ATOM 1341 NH1 ARG A 86 -9.575 -14.239 -2.317 1.00 34.44 N ATOM 1342 NH2 ARG A 86 -9.283 -12.269 -3.455 1.00 43.24 N ATOM 0 H ARG A 86 -3.445 -13.622 -3.086 1.00 72.33 H new ATOM 0 HA ARG A 86 -5.036 -12.916 -1.701 1.00 44.11 H new ATOM 0 HB2 ARG A 86 -4.731 -15.707 -0.983 1.00 21.11 H new ATOM 0 HB3 ARG A 86 -5.062 -14.770 0.461 1.00 21.11 H new ATOM 0 HG2 ARG A 86 -7.154 -15.555 -0.497 1.00 50.14 H new ATOM 0 HG3 ARG A 86 -7.078 -13.808 -0.618 1.00 50.14 H new ATOM 0 HD2 ARG A 86 -5.877 -14.978 -2.981 1.00 70.31 H new ATOM 0 HD3 ARG A 86 -7.453 -15.699 -2.721 1.00 70.31 H new ATOM 0 HE ARG A 86 -6.891 -12.949 -3.518 1.00 22.32 H new ATOM 0 HH11 ARG A 86 -9.190 -15.094 -1.916 1.00 34.44 H new ATOM 0 HH12 ARG A 86 -10.574 -14.045 -2.241 1.00 34.44 H new ATOM 0 HH21 ARG A 86 -8.672 -11.605 -3.932 1.00 43.24 H new ATOM 0 HH22 ARG A 86 -10.282 -12.078 -3.378 1.00 43.24 H new ATOM 1356 N PRO A 87 -3.409 -11.551 -0.287 1.00 35.41 N ATOM 1357 CA PRO A 87 -3.786 -10.872 -1.530 1.00 14.52 C ATOM 1358 C PRO A 87 -2.947 -11.328 -2.718 1.00 21.30 C ATOM 1359 O PRO A 87 -1.849 -11.860 -2.548 1.00 31.33 O ATOM 1360 CB PRO A 87 -3.519 -9.396 -1.222 1.00 73.11 C ATOM 1361 CG PRO A 87 -2.477 -9.414 -0.158 1.00 13.34 C ATOM 1362 CD PRO A 87 -2.745 -10.644 0.664 1.00 34.21 C ATOM 0 HA PRO A 87 -4.817 -11.084 -1.813 1.00 14.52 H new ATOM 0 HB2 PRO A 87 -3.172 -8.863 -2.107 1.00 73.11 H new ATOM 0 HB3 PRO A 87 -4.424 -8.893 -0.882 1.00 73.11 H new ATOM 0 HG2 PRO A 87 -1.477 -9.445 -0.591 1.00 13.34 H new ATOM 0 HG3 PRO A 87 -2.531 -8.515 0.456 1.00 13.34 H new ATOM 0 HD2 PRO A 87 -1.823 -11.075 1.054 1.00 34.21 H new ATOM 0 HD3 PRO A 87 -3.382 -10.424 1.521 1.00 34.21 H new ATOM 1370 N LEU A 88 -3.469 -11.117 -3.921 1.00 71.51 N ATOM 1371 CA LEU A 88 -2.767 -11.507 -5.139 1.00 21.31 C ATOM 1372 C LEU A 88 -1.870 -10.378 -5.635 1.00 64.14 C ATOM 1373 O LEU A 88 -2.354 -9.341 -6.088 1.00 34.35 O ATOM 1374 CB LEU A 88 -3.769 -11.894 -6.228 1.00 15.42 C ATOM 1375 CG LEU A 88 -3.972 -13.392 -6.453 1.00 20.55 C ATOM 1376 CD1 LEU A 88 -5.378 -13.808 -6.049 1.00 12.41 C ATOM 1377 CD2 LEU A 88 -3.703 -13.755 -7.906 1.00 14.11 C ATOM 0 H LEU A 88 -4.376 -10.678 -4.079 1.00 71.51 H new ATOM 0 HA LEU A 88 -2.141 -12.369 -4.908 1.00 21.31 H new ATOM 0 HB2 LEU A 88 -4.733 -11.450 -5.980 1.00 15.42 H new ATOM 0 HB3 LEU A 88 -3.444 -11.447 -7.168 1.00 15.42 H new ATOM 0 HG LEU A 88 -3.262 -13.933 -5.827 1.00 20.55 H new ATOM 0 HD11 LEU A 88 -5.503 -14.878 -6.217 1.00 12.41 H new ATOM 0 HD12 LEU A 88 -5.534 -13.585 -4.993 1.00 12.41 H new ATOM 0 HD13 LEU A 88 -6.106 -13.260 -6.647 1.00 12.41 H new ATOM 0 HD21 LEU A 88 -3.852 -14.825 -8.047 1.00 14.11 H new ATOM 0 HD22 LEU A 88 -4.388 -13.205 -8.551 1.00 14.11 H new ATOM 0 HD23 LEU A 88 -2.676 -13.495 -8.162 1.00 14.11 H new ATOM 1389 N GLN A 89 -0.560 -10.588 -5.549 1.00 71.43 N ATOM 1390 CA GLN A 89 0.404 -9.588 -5.991 1.00 64.25 C ATOM 1391 C GLN A 89 1.833 -10.081 -5.786 1.00 31.24 C ATOM 1392 O GLN A 89 2.057 -11.143 -5.203 1.00 54.53 O ATOM 1393 CB GLN A 89 0.192 -8.275 -5.236 1.00 74.14 C ATOM 1394 CG GLN A 89 -0.165 -7.105 -6.139 1.00 64.01 C ATOM 1395 CD GLN A 89 1.058 -6.429 -6.728 1.00 72.23 C ATOM 1396 OE1 GLN A 89 1.898 -5.898 -6.002 1.00 64.10 O ATOM 1397 NE2 GLN A 89 1.163 -6.446 -8.052 1.00 5.31 N ATOM 0 H GLN A 89 -0.143 -11.441 -5.177 1.00 71.43 H new ATOM 0 HA GLN A 89 0.248 -9.416 -7.056 1.00 64.25 H new ATOM 0 HB2 GLN A 89 -0.602 -8.412 -4.502 1.00 74.14 H new ATOM 0 HB3 GLN A 89 1.100 -8.033 -4.683 1.00 74.14 H new ATOM 0 HG2 GLN A 89 -0.806 -7.457 -6.947 1.00 64.01 H new ATOM 0 HG3 GLN A 89 -0.741 -6.375 -5.571 1.00 64.01 H new ATOM 0 HE21 GLN A 89 0.442 -6.898 -8.615 1.00 5.31 H new ATOM 0 HE22 GLN A 89 1.964 -6.007 -8.506 1.00 5.31 H new ATOM 1406 N VAL A 90 2.797 -9.304 -6.268 1.00 3.43 N ATOM 1407 CA VAL A 90 4.205 -9.661 -6.136 1.00 12.41 C ATOM 1408 C VAL A 90 5.013 -8.504 -5.559 1.00 64.11 C ATOM 1409 O VAL A 90 4.674 -7.337 -5.755 1.00 44.21 O ATOM 1410 CB VAL A 90 4.810 -10.069 -7.492 1.00 75.32 C ATOM 1411 CG1 VAL A 90 4.670 -8.940 -8.501 1.00 54.15 C ATOM 1412 CG2 VAL A 90 6.268 -10.469 -7.326 1.00 32.20 C ATOM 0 H VAL A 90 2.629 -8.423 -6.754 1.00 3.43 H new ATOM 0 HA VAL A 90 4.254 -10.510 -5.455 1.00 12.41 H new ATOM 0 HB VAL A 90 4.261 -10.932 -7.870 1.00 75.32 H new ATOM 0 HG11 VAL A 90 5.103 -9.247 -9.453 1.00 54.15 H new ATOM 0 HG12 VAL A 90 3.615 -8.706 -8.641 1.00 54.15 H new ATOM 0 HG13 VAL A 90 5.192 -8.056 -8.133 1.00 54.15 H new ATOM 0 HG21 VAL A 90 6.680 -10.754 -8.294 1.00 32.20 H new ATOM 0 HG22 VAL A 90 6.833 -9.627 -6.925 1.00 32.20 H new ATOM 0 HG23 VAL A 90 6.338 -11.313 -6.639 1.00 32.20 H new ATOM 1422 N PHE A 91 6.085 -8.836 -4.847 1.00 1.11 N ATOM 1423 CA PHE A 91 6.943 -7.825 -4.240 1.00 41.34 C ATOM 1424 C PHE A 91 8.304 -7.781 -4.930 1.00 55.01 C ATOM 1425 O PHE A 91 8.938 -8.815 -5.142 1.00 4.33 O ATOM 1426 CB PHE A 91 7.124 -8.108 -2.748 1.00 3.33 C ATOM 1427 CG PHE A 91 5.828 -8.233 -2.000 1.00 31.24 C ATOM 1428 CD1 PHE A 91 4.893 -7.212 -2.032 1.00 14.42 C ATOM 1429 CD2 PHE A 91 5.545 -9.373 -1.264 1.00 10.32 C ATOM 1430 CE1 PHE A 91 3.698 -7.324 -1.345 1.00 4.12 C ATOM 1431 CE2 PHE A 91 4.352 -9.491 -0.575 1.00 45.13 C ATOM 1432 CZ PHE A 91 3.429 -8.465 -0.615 1.00 14.23 C ATOM 0 H PHE A 91 6.380 -9.797 -4.676 1.00 1.11 H new ATOM 0 HA PHE A 91 6.462 -6.855 -4.363 1.00 41.34 H new ATOM 0 HB2 PHE A 91 7.694 -9.029 -2.628 1.00 3.33 H new ATOM 0 HB3 PHE A 91 7.715 -7.307 -2.304 1.00 3.33 H new ATOM 0 HD1 PHE A 91 5.100 -6.317 -2.600 1.00 14.42 H new ATOM 0 HD2 PHE A 91 6.264 -10.178 -1.228 1.00 10.32 H new ATOM 0 HE1 PHE A 91 2.977 -6.521 -1.379 1.00 4.12 H new ATOM 0 HE2 PHE A 91 4.142 -10.385 -0.006 1.00 45.13 H new ATOM 0 HZ PHE A 91 2.497 -8.555 -0.076 1.00 14.23 H new ATOM 1442 N HIS A 92 8.745 -6.577 -5.279 1.00 50.32 N ATOM 1443 CA HIS A 92 10.030 -6.397 -5.945 1.00 60.04 C ATOM 1444 C HIS A 92 11.167 -6.351 -4.929 1.00 61.11 C ATOM 1445 O HIS A 92 11.257 -5.424 -4.124 1.00 34.22 O ATOM 1446 CB HIS A 92 10.022 -5.114 -6.778 1.00 21.45 C ATOM 1447 CG HIS A 92 10.449 -5.319 -8.198 1.00 62.53 C ATOM 1448 ND1 HIS A 92 11.771 -5.394 -8.584 1.00 1.34 N ATOM 1449 CD2 HIS A 92 9.720 -5.468 -9.329 1.00 64.12 C ATOM 1450 CE1 HIS A 92 11.837 -5.577 -9.890 1.00 60.21 C ATOM 1451 NE2 HIS A 92 10.606 -5.626 -10.367 1.00 21.44 N ATOM 0 H HIS A 92 8.232 -5.712 -5.112 1.00 50.32 H new ATOM 0 HA HIS A 92 10.191 -7.249 -6.606 1.00 60.04 H new ATOM 0 HB2 HIS A 92 9.018 -4.690 -6.767 1.00 21.45 H new ATOM 0 HB3 HIS A 92 10.682 -4.383 -6.311 1.00 21.45 H new ATOM 0 HD2 HIS A 92 8.642 -5.463 -9.402 1.00 64.12 H new ATOM 0 HE1 HIS A 92 12.743 -5.671 -10.470 1.00 60.21 H new ATOM 0 HE2 HIS A 92 10.354 -5.759 -11.346 1.00 21.44 H new ATOM 1459 N VAL A 93 12.034 -7.358 -4.972 1.00 33.11 N ATOM 1460 CA VAL A 93 13.165 -7.432 -4.055 1.00 62.54 C ATOM 1461 C VAL A 93 14.484 -7.231 -4.793 1.00 1.51 C ATOM 1462 O VAL A 93 14.694 -7.785 -5.871 1.00 23.20 O ATOM 1463 CB VAL A 93 13.203 -8.785 -3.319 1.00 42.22 C ATOM 1464 CG1 VAL A 93 14.466 -8.901 -2.480 1.00 4.33 C ATOM 1465 CG2 VAL A 93 11.962 -8.956 -2.456 1.00 62.33 C ATOM 0 H VAL A 93 11.975 -8.133 -5.632 1.00 33.11 H new ATOM 0 HA VAL A 93 13.034 -6.633 -3.325 1.00 62.54 H new ATOM 0 HB VAL A 93 13.214 -9.583 -4.061 1.00 42.22 H new ATOM 0 HG11 VAL A 93 14.475 -9.863 -1.968 1.00 4.33 H new ATOM 0 HG12 VAL A 93 15.340 -8.826 -3.126 1.00 4.33 H new ATOM 0 HG13 VAL A 93 14.489 -8.098 -1.744 1.00 4.33 H new ATOM 0 HG21 VAL A 93 12.005 -9.917 -1.943 1.00 62.33 H new ATOM 0 HG22 VAL A 93 11.917 -8.153 -1.720 1.00 62.33 H new ATOM 0 HG23 VAL A 93 11.073 -8.920 -3.086 1.00 62.33 H new ATOM 1475 N GLU A 94 15.369 -6.433 -4.204 1.00 4.15 N ATOM 1476 CA GLU A 94 16.669 -6.158 -4.806 1.00 14.22 C ATOM 1477 C GLU A 94 17.784 -6.276 -3.771 1.00 51.11 C ATOM 1478 O GLU A 94 17.919 -5.428 -2.888 1.00 65.44 O ATOM 1479 CB GLU A 94 16.681 -4.760 -5.428 1.00 63.13 C ATOM 1480 CG GLU A 94 16.253 -4.739 -6.886 1.00 33.10 C ATOM 1481 CD GLU A 94 16.334 -3.354 -7.498 1.00 34.11 C ATOM 1482 OE1 GLU A 94 15.737 -2.418 -6.926 1.00 12.22 O ATOM 1483 OE2 GLU A 94 16.993 -3.206 -8.548 1.00 74.30 O ATOM 0 H GLU A 94 15.210 -5.966 -3.311 1.00 4.15 H new ATOM 0 HA GLU A 94 16.843 -6.898 -5.587 1.00 14.22 H new ATOM 0 HB2 GLU A 94 16.020 -4.111 -4.854 1.00 63.13 H new ATOM 0 HB3 GLU A 94 17.685 -4.344 -5.347 1.00 63.13 H new ATOM 0 HG2 GLU A 94 16.884 -5.421 -7.456 1.00 33.10 H new ATOM 0 HG3 GLU A 94 15.231 -5.108 -6.966 1.00 33.10 H new ATOM 1490 N VAL A 95 18.580 -7.334 -3.886 1.00 45.22 N ATOM 1491 CA VAL A 95 19.685 -7.564 -2.962 1.00 55.31 C ATOM 1492 C VAL A 95 21.028 -7.317 -3.639 1.00 1.22 C ATOM 1493 O VAL A 95 21.321 -7.892 -4.686 1.00 61.13 O ATOM 1494 CB VAL A 95 19.659 -8.999 -2.404 1.00 25.03 C ATOM 1495 CG1 VAL A 95 18.427 -9.214 -1.539 1.00 73.31 C ATOM 1496 CG2 VAL A 95 19.709 -10.012 -3.537 1.00 62.24 C ATOM 0 H VAL A 95 18.481 -8.046 -4.610 1.00 45.22 H new ATOM 0 HA VAL A 95 19.562 -6.860 -2.139 1.00 55.31 H new ATOM 0 HB VAL A 95 20.541 -9.143 -1.780 1.00 25.03 H new ATOM 0 HG11 VAL A 95 18.426 -10.234 -1.154 1.00 73.31 H new ATOM 0 HG12 VAL A 95 18.440 -8.511 -0.706 1.00 73.31 H new ATOM 0 HG13 VAL A 95 17.530 -9.051 -2.137 1.00 73.31 H new ATOM 0 HG21 VAL A 95 19.690 -11.021 -3.124 1.00 62.24 H new ATOM 0 HG22 VAL A 95 18.848 -9.871 -4.190 1.00 62.24 H new ATOM 0 HG23 VAL A 95 20.625 -9.872 -4.110 1.00 62.24 H new ATOM 1506 N GLU A 96 21.841 -6.458 -3.032 1.00 41.42 N ATOM 1507 CA GLU A 96 23.154 -6.134 -3.577 1.00 64.43 C ATOM 1508 C GLU A 96 24.249 -6.919 -2.860 1.00 3.31 C ATOM 1509 O GLU A 96 24.087 -7.322 -1.708 1.00 75.22 O ATOM 1510 CB GLU A 96 23.425 -4.633 -3.458 1.00 24.31 C ATOM 1511 CG GLU A 96 23.752 -4.184 -2.043 1.00 74.34 C ATOM 1512 CD GLU A 96 23.342 -2.749 -1.778 1.00 43.51 C ATOM 1513 OE1 GLU A 96 23.305 -1.955 -2.742 1.00 24.01 O ATOM 1514 OE2 GLU A 96 23.059 -2.418 -0.608 1.00 22.34 O ATOM 0 H GLU A 96 21.614 -5.974 -2.163 1.00 41.42 H new ATOM 0 HA GLU A 96 23.161 -6.414 -4.631 1.00 64.43 H new ATOM 0 HB2 GLU A 96 24.254 -4.369 -4.115 1.00 24.31 H new ATOM 0 HB3 GLU A 96 22.551 -4.085 -3.811 1.00 24.31 H new ATOM 0 HG2 GLU A 96 23.248 -4.839 -1.332 1.00 74.34 H new ATOM 0 HG3 GLU A 96 24.823 -4.290 -1.870 1.00 74.34 H new ATOM 1521 N VAL A 97 25.365 -7.132 -3.550 1.00 4.42 N ATOM 1522 CA VAL A 97 26.488 -7.867 -2.980 1.00 1.24 C ATOM 1523 C VAL A 97 27.620 -6.924 -2.588 1.00 2.02 C ATOM 1524 O VAL A 97 28.169 -6.213 -3.430 1.00 24.41 O ATOM 1525 CB VAL A 97 27.029 -8.919 -3.966 1.00 50.10 C ATOM 1526 CG1 VAL A 97 26.113 -10.132 -4.008 1.00 71.41 C ATOM 1527 CG2 VAL A 97 27.191 -8.315 -5.353 1.00 3.34 C ATOM 0 H VAL A 97 25.516 -6.806 -4.505 1.00 4.42 H new ATOM 0 HA VAL A 97 26.116 -8.373 -2.089 1.00 1.24 H new ATOM 0 HB VAL A 97 28.010 -9.246 -3.620 1.00 50.10 H new ATOM 0 HG11 VAL A 97 26.511 -10.865 -4.710 1.00 71.41 H new ATOM 0 HG12 VAL A 97 26.052 -10.577 -3.015 1.00 71.41 H new ATOM 0 HG13 VAL A 97 25.118 -9.825 -4.329 1.00 71.41 H new ATOM 0 HG21 VAL A 97 27.574 -9.072 -6.037 1.00 3.34 H new ATOM 0 HG22 VAL A 97 26.225 -7.959 -5.710 1.00 3.34 H new ATOM 0 HG23 VAL A 97 27.890 -7.480 -5.307 1.00 3.34 H new ATOM 1537 N ARG A 98 27.965 -6.923 -1.304 1.00 72.23 N ATOM 1538 CA ARG A 98 29.032 -6.067 -0.800 1.00 53.12 C ATOM 1539 C ARG A 98 30.386 -6.761 -0.914 1.00 34.44 C ATOM 1540 O ARG A 98 30.653 -7.740 -0.216 1.00 73.45 O ATOM 1541 CB ARG A 98 28.763 -5.685 0.657 1.00 72.24 C ATOM 1542 CG ARG A 98 29.548 -4.470 1.123 1.00 63.32 C ATOM 1543 CD ARG A 98 28.629 -3.387 1.666 1.00 61.33 C ATOM 1544 NE ARG A 98 29.167 -2.049 1.440 1.00 45.31 N ATOM 1545 CZ ARG A 98 28.449 -0.938 1.558 1.00 55.12 C ATOM 1546 NH1 ARG A 98 27.169 -1.006 1.898 1.00 52.53 N ATOM 1547 NH2 ARG A 98 29.010 0.244 1.336 1.00 31.21 N ATOM 0 H ARG A 98 27.521 -7.506 -0.594 1.00 72.23 H new ATOM 0 HA ARG A 98 29.055 -5.162 -1.407 1.00 53.12 H new ATOM 0 HB2 ARG A 98 27.698 -5.489 0.782 1.00 72.24 H new ATOM 0 HB3 ARG A 98 29.008 -6.533 1.297 1.00 72.24 H new ATOM 0 HG2 ARG A 98 30.257 -4.768 1.896 1.00 63.32 H new ATOM 0 HG3 ARG A 98 30.131 -4.071 0.292 1.00 63.32 H new ATOM 0 HD2 ARG A 98 27.651 -3.470 1.191 1.00 61.33 H new ATOM 0 HD3 ARG A 98 28.478 -3.541 2.734 1.00 61.33 H new ATOM 0 HE ARG A 98 30.149 -1.963 1.177 1.00 45.31 H new ATOM 0 HH11 ARG A 98 26.734 -1.913 2.069 1.00 52.53 H new ATOM 0 HH12 ARG A 98 26.619 -0.152 1.988 1.00 52.53 H new ATOM 0 HH21 ARG A 98 29.994 0.300 1.074 1.00 31.21 H new ATOM 0 HH22 ARG A 98 28.457 1.096 1.427 1.00 31.21 H new ATOM 1561 N ASP A 99 31.235 -6.248 -1.796 1.00 65.54 N ATOM 1562 CA ASP A 99 32.562 -6.819 -2.001 1.00 41.41 C ATOM 1563 C ASP A 99 33.334 -6.033 -3.056 1.00 44.40 C ATOM 1564 O ASP A 99 32.885 -4.982 -3.514 1.00 12.55 O ATOM 1565 CB ASP A 99 32.451 -8.285 -2.420 1.00 21.42 C ATOM 1566 CG ASP A 99 33.132 -9.220 -1.440 1.00 22.42 C ATOM 1567 OD1 ASP A 99 33.062 -8.957 -0.221 1.00 12.31 O ATOM 1568 OD2 ASP A 99 33.735 -10.216 -1.892 1.00 31.24 O ATOM 0 H ASP A 99 31.029 -5.438 -2.381 1.00 65.54 H new ATOM 0 HA ASP A 99 33.106 -6.759 -1.058 1.00 41.41 H new ATOM 0 HB2 ASP A 99 31.399 -8.557 -2.506 1.00 21.42 H new ATOM 0 HB3 ASP A 99 32.895 -8.412 -3.407 1.00 21.42 H new ATOM 1573 N ILE A 100 34.498 -6.548 -3.436 1.00 63.54 N ATOM 1574 CA ILE A 100 35.333 -5.895 -4.437 1.00 14.30 C ATOM 1575 C ILE A 100 35.676 -6.849 -5.576 1.00 34.45 C ATOM 1576 O ILE A 100 35.656 -8.067 -5.405 1.00 22.53 O ATOM 1577 CB ILE A 100 36.638 -5.360 -3.819 1.00 62.23 C ATOM 1578 CG1 ILE A 100 36.350 -4.665 -2.487 1.00 45.42 C ATOM 1579 CG2 ILE A 100 37.328 -4.406 -4.783 1.00 24.51 C ATOM 1580 CD1 ILE A 100 35.374 -3.516 -2.604 1.00 53.52 C ATOM 0 H ILE A 100 34.885 -7.416 -3.066 1.00 63.54 H new ATOM 0 HA ILE A 100 34.757 -5.058 -4.830 1.00 14.30 H new ATOM 0 HB ILE A 100 37.305 -6.201 -3.631 1.00 62.23 H new ATOM 0 HG12 ILE A 100 35.954 -5.397 -1.783 1.00 45.42 H new ATOM 0 HG13 ILE A 100 37.286 -4.295 -2.070 1.00 45.42 H new ATOM 0 HG21 ILE A 100 38.249 -4.036 -4.332 1.00 24.51 H new ATOM 0 HG22 ILE A 100 37.563 -4.931 -5.709 1.00 24.51 H new ATOM 0 HG23 ILE A 100 36.667 -3.566 -4.999 1.00 24.51 H new ATOM 0 HD11 ILE A 100 35.217 -3.070 -1.622 1.00 53.52 H new ATOM 0 HD12 ILE A 100 35.776 -2.764 -3.283 1.00 53.52 H new ATOM 0 HD13 ILE A 100 34.424 -3.884 -2.992 1.00 53.52 H new ATOM 1592 N ASN A 101 35.991 -6.287 -6.738 1.00 1.35 N ATOM 1593 CA ASN A 101 36.340 -7.088 -7.905 1.00 22.00 C ATOM 1594 C ASN A 101 37.708 -7.741 -7.727 1.00 54.05 C ATOM 1595 O ASN A 101 37.856 -8.951 -7.898 1.00 31.20 O ATOM 1596 CB ASN A 101 36.337 -6.220 -9.165 1.00 11.11 C ATOM 1597 CG ASN A 101 36.835 -6.970 -10.385 1.00 44.21 C ATOM 1598 OD1 ASN A 101 36.047 -7.522 -11.153 1.00 43.10 O ATOM 1599 ND2 ASN A 101 38.150 -6.993 -10.569 1.00 4.13 N ATOM 0 H ASN A 101 36.012 -5.280 -6.897 1.00 1.35 H new ATOM 0 HA ASN A 101 35.593 -7.874 -8.012 1.00 22.00 H new ATOM 0 HB2 ASN A 101 35.326 -5.859 -9.352 1.00 11.11 H new ATOM 0 HB3 ASN A 101 36.963 -5.343 -9.000 1.00 11.11 H new ATOM 0 HD21 ASN A 101 38.544 -7.482 -11.373 1.00 4.13 H new ATOM 0 HD22 ASN A 101 38.766 -6.522 -9.907 1.00 4.13 H new ATOM 1606 N ASP A 102 38.703 -6.932 -7.384 1.00 3.44 N ATOM 1607 CA ASP A 102 40.059 -7.430 -7.181 1.00 33.10 C ATOM 1608 C ASP A 102 40.386 -7.526 -5.694 1.00 51.40 C ATOM 1609 O ASP A 102 41.547 -7.435 -5.297 1.00 72.51 O ATOM 1610 CB ASP A 102 41.070 -6.520 -7.881 1.00 35.50 C ATOM 1611 CG ASP A 102 42.063 -7.298 -8.722 1.00 53.02 C ATOM 1612 OD1 ASP A 102 41.740 -7.604 -9.889 1.00 64.34 O ATOM 1613 OD2 ASP A 102 43.162 -7.599 -8.214 1.00 24.44 O ATOM 0 H ASP A 102 38.597 -5.928 -7.240 1.00 3.44 H new ATOM 0 HA ASP A 102 40.121 -8.429 -7.613 1.00 33.10 H new ATOM 0 HB2 ASP A 102 40.538 -5.811 -8.515 1.00 35.50 H new ATOM 0 HB3 ASP A 102 41.609 -5.938 -7.134 1.00 35.50 H new ATOM 1618 N ASN A 103 39.354 -7.707 -4.877 1.00 32.53 N ATOM 1619 CA ASN A 103 39.531 -7.813 -3.433 1.00 25.30 C ATOM 1620 C ASN A 103 40.252 -6.586 -2.882 1.00 74.22 C ATOM 1621 O ASN A 103 39.618 -5.609 -2.485 1.00 54.23 O ATOM 1622 CB ASN A 103 40.319 -9.079 -3.086 1.00 54.35 C ATOM 1623 CG ASN A 103 39.469 -10.109 -2.368 1.00 23.31 C ATOM 1624 OD1 ASN A 103 39.071 -11.117 -2.951 1.00 71.53 O ATOM 1625 ND2 ASN A 103 39.188 -9.860 -1.094 1.00 50.33 N ATOM 0 H ASN A 103 38.386 -7.783 -5.190 1.00 32.53 H new ATOM 0 HA ASN A 103 38.544 -7.870 -2.974 1.00 25.30 H new ATOM 0 HB2 ASN A 103 40.720 -9.516 -4.000 1.00 54.35 H new ATOM 0 HB3 ASN A 103 41.170 -8.814 -2.459 1.00 54.35 H new ATOM 0 HD21 ASN A 103 38.621 -10.518 -0.559 1.00 50.33 H new ATOM 0 HD22 ASN A 103 39.539 -9.011 -0.651 1.00 50.33 H new TER 1632 ASN A 103