USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 82 THR OG1 : rot 120:sc= -0.921 USER MOD Set 1.2: A 84 HIS :FLIP no HE2:sc= -0.214 F(o=-2.7,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 29 THR OG1 : rot -168:sc= -0.317 USER MOD Single : A 30 CYS SG : rot 35:sc= -0.41 USER MOD Single : A 31 THR OG1 : rot 123:sc= 0.167 USER MOD Single : A 32 THR OG1 : rot 21:sc= 0.344! USER MOD Single : A 35 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.37) USER MOD Single : A 37 ASN : amide:sc= -0.0675 X(o=-0.067,f=-0.075) USER MOD Single : A 45 SER OG : rot 88:sc= 0.226 USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -0.142 (180deg=-0.658) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 53 SER OG : rot -1:sc= -1.94! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.92! C(o=-5.9!,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ 158:sc=-0.00758 (180deg=-0.156) USER MOD Single : A 71 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.032) USER MOD Single : A 73 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-2.9) USER MOD Single : A 75 MET CE :methyl 172:sc= -0.0563 (180deg=-0.143) USER MOD Single : A 81 MET CE :methyl -106:sc= -6.73! (180deg=-14!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -127:sc= -2.85! USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 96 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.7!) USER MOD Single : A 101 TYR OH : rot -89:sc= -1.02 USER MOD Single : A 104 LYS NZ :NH3+ -112:sc= -1.68 (180deg=-4.66!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot -119:sc= -1.68 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.699 -3.748 -2.105 1.00 34.51 N ATOM 36 CA ARG A 3 5.154 -3.766 -2.188 1.00 21.55 C ATOM 37 C ARG A 3 5.705 -5.130 -1.779 1.00 40.44 C ATOM 38 O ARG A 3 6.838 -5.477 -2.110 1.00 73.25 O ATOM 39 CB ARG A 3 5.750 -2.676 -1.296 1.00 3.22 C ATOM 40 CG ARG A 3 5.227 -2.702 0.131 1.00 41.00 C ATOM 41 CD ARG A 3 6.084 -3.587 1.022 1.00 32.34 C ATOM 42 NE ARG A 3 7.474 -3.141 1.064 1.00 14.52 N ATOM 43 CZ ARG A 3 7.897 -2.125 1.808 1.00 11.14 C ATOM 44 NH1 ARG A 3 7.043 -1.455 2.569 1.00 15.13 N ATOM 45 NH2 ARG A 3 9.178 -1.778 1.793 1.00 34.10 N ATOM 0 HA ARG A 3 5.436 -3.574 -3.223 1.00 21.55 H new ATOM 0 HB2 ARG A 3 6.834 -2.786 -1.278 1.00 3.22 H new ATOM 0 HB3 ARG A 3 5.535 -1.702 -1.735 1.00 3.22 H new ATOM 0 HG2 ARG A 3 5.209 -1.689 0.532 1.00 41.00 H new ATOM 0 HG3 ARG A 3 4.199 -3.065 0.136 1.00 41.00 H new ATOM 0 HD2 ARG A 3 5.674 -3.590 2.032 1.00 32.34 H new ATOM 0 HD3 ARG A 3 6.044 -4.614 0.659 1.00 32.34 H new ATOM 0 HE ARG A 3 8.157 -3.636 0.491 1.00 14.52 H new ATOM 0 HH11 ARG A 3 6.058 -1.719 2.584 1.00 15.13 H new ATOM 0 HH12 ARG A 3 7.371 -0.675 3.139 1.00 15.13 H new ATOM 0 HH21 ARG A 3 9.839 -2.292 1.210 1.00 34.10 H new ATOM 0 HH22 ARG A 3 9.502 -0.998 2.365 1.00 34.10 H new ATOM 59 N GLY A 4 4.895 -5.898 -1.057 1.00 52.23 N ATOM 60 CA GLY A 4 5.319 -7.213 -0.615 1.00 73.52 C ATOM 61 C GLY A 4 4.150 -8.110 -0.260 1.00 75.52 C ATOM 62 O GLY A 4 3.609 -8.029 0.843 1.00 10.01 O ATOM 0 H GLY A 4 3.953 -5.633 -0.770 1.00 52.23 H new ATOM 0 HA2 GLY A 4 5.909 -7.684 -1.401 1.00 73.52 H new ATOM 0 HA3 GLY A 4 5.970 -7.109 0.253 1.00 73.52 H new ATOM 66 N ILE A 5 3.757 -8.967 -1.197 1.00 62.02 N ATOM 67 CA ILE A 5 2.644 -9.882 -0.977 1.00 62.12 C ATOM 68 C ILE A 5 3.087 -11.105 -0.182 1.00 22.33 C ATOM 69 O ILE A 5 4.069 -11.762 -0.528 1.00 4.14 O ATOM 70 CB ILE A 5 2.025 -10.346 -2.309 1.00 24.30 C ATOM 71 CG1 ILE A 5 1.357 -9.170 -3.023 1.00 53.12 C ATOM 72 CG2 ILE A 5 1.023 -11.465 -2.066 1.00 11.51 C ATOM 73 CD1 ILE A 5 1.153 -9.399 -4.504 1.00 43.05 C ATOM 0 H ILE A 5 4.193 -9.046 -2.116 1.00 62.02 H new ATOM 0 HA ILE A 5 1.893 -9.334 -0.408 1.00 62.12 H new ATOM 0 HB ILE A 5 2.820 -10.730 -2.948 1.00 24.30 H new ATOM 0 HG12 ILE A 5 0.391 -8.974 -2.558 1.00 53.12 H new ATOM 0 HG13 ILE A 5 1.966 -8.277 -2.882 1.00 53.12 H new ATOM 0 HG21 ILE A 5 0.594 -11.782 -3.017 1.00 11.51 H new ATOM 0 HG22 ILE A 5 1.527 -12.309 -1.596 1.00 11.51 H new ATOM 0 HG23 ILE A 5 0.229 -11.106 -1.411 1.00 11.51 H new ATOM 0 HD11 ILE A 5 0.675 -8.524 -4.945 1.00 43.05 H new ATOM 0 HD12 ILE A 5 2.118 -9.565 -4.983 1.00 43.05 H new ATOM 0 HD13 ILE A 5 0.519 -10.273 -4.653 1.00 43.05 H new ATOM 85 N VAL A 6 2.355 -11.407 0.886 1.00 73.44 N ATOM 86 CA VAL A 6 2.670 -12.554 1.729 1.00 12.15 C ATOM 87 C VAL A 6 1.548 -13.585 1.697 1.00 75.32 C ATOM 88 O VAL A 6 0.407 -13.288 2.054 1.00 65.24 O ATOM 89 CB VAL A 6 2.917 -12.126 3.188 1.00 33.14 C ATOM 90 CG1 VAL A 6 3.598 -13.243 3.965 1.00 52.15 C ATOM 91 CG2 VAL A 6 3.744 -10.851 3.236 1.00 4.33 C ATOM 0 H VAL A 6 1.540 -10.873 1.188 1.00 73.44 H new ATOM 0 HA VAL A 6 3.580 -13.000 1.329 1.00 12.15 H new ATOM 0 HB VAL A 6 1.954 -11.925 3.657 1.00 33.14 H new ATOM 0 HG11 VAL A 6 3.764 -12.922 4.993 1.00 52.15 H new ATOM 0 HG12 VAL A 6 2.963 -14.129 3.960 1.00 52.15 H new ATOM 0 HG13 VAL A 6 4.555 -13.479 3.499 1.00 52.15 H new ATOM 0 HG21 VAL A 6 3.909 -10.563 4.274 1.00 4.33 H new ATOM 0 HG22 VAL A 6 4.705 -11.022 2.750 1.00 4.33 H new ATOM 0 HG23 VAL A 6 3.212 -10.053 2.718 1.00 4.33 H new ATOM 101 N TRP A 7 1.878 -14.797 1.267 1.00 23.51 N ATOM 102 CA TRP A 7 0.898 -15.874 1.188 1.00 34.22 C ATOM 103 C TRP A 7 1.013 -16.805 2.390 1.00 24.21 C ATOM 104 O TRP A 7 2.114 -17.095 2.859 1.00 21.22 O ATOM 105 CB TRP A 7 1.083 -16.667 -0.106 1.00 63.25 C ATOM 106 CG TRP A 7 0.727 -15.888 -1.336 1.00 61.24 C ATOM 107 CD1 TRP A 7 0.183 -14.636 -1.385 1.00 21.52 C ATOM 108 CD2 TRP A 7 0.888 -16.311 -2.695 1.00 2.41 C ATOM 109 NE1 TRP A 7 -0.004 -14.255 -2.692 1.00 23.33 N ATOM 110 CE2 TRP A 7 0.422 -15.264 -3.515 1.00 33.34 C ATOM 111 CE3 TRP A 7 1.383 -17.470 -3.299 1.00 0.43 C ATOM 112 CZ2 TRP A 7 0.435 -15.345 -4.904 1.00 63.45 C ATOM 113 CZ3 TRP A 7 1.395 -17.549 -4.678 1.00 45.32 C ATOM 114 CH2 TRP A 7 0.925 -16.492 -5.469 1.00 10.22 C ATOM 0 H TRP A 7 2.817 -15.059 0.967 1.00 23.51 H new ATOM 0 HA TRP A 7 -0.096 -15.427 1.192 1.00 34.22 H new ATOM 0 HB2 TRP A 7 2.121 -16.993 -0.179 1.00 63.25 H new ATOM 0 HB3 TRP A 7 0.469 -17.566 -0.064 1.00 63.25 H new ATOM 0 HD1 TRP A 7 -0.064 -14.034 -0.523 1.00 21.52 H new ATOM 0 HE1 TRP A 7 -0.396 -13.365 -3.000 1.00 23.33 H new ATOM 0 HE3 TRP A 7 1.750 -18.289 -2.698 1.00 0.43 H new ATOM 0 HZ2 TRP A 7 0.071 -14.532 -5.515 1.00 63.45 H new ATOM 0 HZ3 TRP A 7 1.773 -18.441 -5.155 1.00 45.32 H new ATOM 0 HH2 TRP A 7 0.950 -16.584 -6.545 1.00 10.22 H new ATOM 125 N VAL A 8 -0.129 -17.271 2.885 1.00 70.23 N ATOM 126 CA VAL A 8 -0.155 -18.171 4.032 1.00 41.13 C ATOM 127 C VAL A 8 -0.683 -19.546 3.639 1.00 24.44 C ATOM 128 O VAL A 8 -1.545 -19.667 2.770 1.00 75.43 O ATOM 129 CB VAL A 8 -1.025 -17.605 5.170 1.00 50.34 C ATOM 130 CG1 VAL A 8 -0.958 -18.507 6.393 1.00 41.43 C ATOM 131 CG2 VAL A 8 -0.592 -16.188 5.517 1.00 62.52 C ATOM 0 H VAL A 8 -1.049 -17.040 2.510 1.00 70.23 H new ATOM 0 HA VAL A 8 0.872 -18.266 4.383 1.00 41.13 H new ATOM 0 HB VAL A 8 -2.060 -17.571 4.830 1.00 50.34 H new ATOM 0 HG11 VAL A 8 -1.579 -18.091 7.186 1.00 41.43 H new ATOM 0 HG12 VAL A 8 -1.321 -19.501 6.132 1.00 41.43 H new ATOM 0 HG13 VAL A 8 0.074 -18.576 6.738 1.00 41.43 H new ATOM 0 HG21 VAL A 8 -1.217 -15.804 6.323 1.00 62.52 H new ATOM 0 HG22 VAL A 8 0.450 -16.194 5.837 1.00 62.52 H new ATOM 0 HG23 VAL A 8 -0.698 -15.550 4.640 1.00 62.52 H new ATOM 141 N VAL A 9 -0.159 -20.582 4.287 1.00 24.13 N ATOM 142 CA VAL A 9 -0.578 -21.950 4.008 1.00 62.23 C ATOM 143 C VAL A 9 -0.511 -22.813 5.263 1.00 40.10 C ATOM 144 O VAL A 9 0.522 -22.877 5.931 1.00 55.35 O ATOM 145 CB VAL A 9 0.293 -22.591 2.911 1.00 61.02 C ATOM 146 CG1 VAL A 9 1.709 -22.817 3.417 1.00 5.22 C ATOM 147 CG2 VAL A 9 -0.326 -23.896 2.434 1.00 30.33 C ATOM 0 H VAL A 9 0.557 -20.499 5.009 1.00 24.13 H new ATOM 0 HA VAL A 9 -1.610 -21.900 3.660 1.00 62.23 H new ATOM 0 HB VAL A 9 0.341 -21.907 2.064 1.00 61.02 H new ATOM 0 HG11 VAL A 9 2.309 -23.270 2.628 1.00 5.22 H new ATOM 0 HG12 VAL A 9 2.149 -21.862 3.705 1.00 5.22 H new ATOM 0 HG13 VAL A 9 1.685 -23.481 4.281 1.00 5.22 H new ATOM 0 HG21 VAL A 9 0.303 -24.335 1.659 1.00 30.33 H new ATOM 0 HG22 VAL A 9 -0.406 -24.588 3.272 1.00 30.33 H new ATOM 0 HG23 VAL A 9 -1.319 -23.701 2.029 1.00 30.33 H new ATOM 157 N ASP A 10 -1.618 -23.475 5.578 1.00 33.53 N ATOM 158 CA ASP A 10 -1.686 -24.337 6.753 1.00 3.42 C ATOM 159 C ASP A 10 -2.858 -25.308 6.649 1.00 45.33 C ATOM 160 O ASP A 10 -3.455 -25.462 5.584 1.00 75.23 O ATOM 161 CB ASP A 10 -1.817 -23.494 8.023 1.00 54.22 C ATOM 162 CG ASP A 10 -3.187 -22.857 8.156 1.00 62.05 C ATOM 163 OD1 ASP A 10 -3.905 -22.778 7.137 1.00 1.32 O ATOM 164 OD2 ASP A 10 -3.540 -22.437 9.278 1.00 71.24 O ATOM 0 H ASP A 10 -2.481 -23.432 5.036 1.00 33.53 H new ATOM 0 HA ASP A 10 -0.763 -24.915 6.803 1.00 3.42 H new ATOM 0 HB2 ASP A 10 -1.625 -24.121 8.893 1.00 54.22 H new ATOM 0 HB3 ASP A 10 -1.056 -22.714 8.018 1.00 54.22 H new ATOM 169 N ASP A 11 -3.179 -25.960 7.760 1.00 33.22 N ATOM 170 CA ASP A 11 -4.280 -26.917 7.794 1.00 44.31 C ATOM 171 C ASP A 11 -5.320 -26.512 8.834 1.00 24.21 C ATOM 172 O ASP A 11 -6.372 -27.140 8.951 1.00 72.02 O ATOM 173 CB ASP A 11 -3.754 -28.320 8.099 1.00 32.31 C ATOM 174 CG ASP A 11 -4.531 -29.400 7.372 1.00 34.12 C ATOM 175 OD1 ASP A 11 -5.661 -29.117 6.921 1.00 12.11 O ATOM 176 OD2 ASP A 11 -4.010 -30.528 7.254 1.00 64.34 O ATOM 0 H ASP A 11 -2.693 -25.844 8.649 1.00 33.22 H new ATOM 0 HA ASP A 11 -4.756 -26.921 6.814 1.00 44.31 H new ATOM 0 HB2 ASP A 11 -2.703 -28.380 7.817 1.00 32.31 H new ATOM 0 HB3 ASP A 11 -3.806 -28.499 9.173 1.00 32.31 H new ATOM 181 N ASP A 12 -5.017 -25.461 9.588 1.00 60.01 N ATOM 182 CA ASP A 12 -5.925 -24.972 10.619 1.00 74.43 C ATOM 183 C ASP A 12 -6.595 -23.673 10.182 1.00 60.33 C ATOM 184 O ASP A 12 -6.075 -22.951 9.331 1.00 73.20 O ATOM 185 CB ASP A 12 -5.172 -24.756 11.932 1.00 44.42 C ATOM 186 CG ASP A 12 -5.378 -25.893 12.912 1.00 25.43 C ATOM 187 OD1 ASP A 12 -6.542 -26.162 13.273 1.00 13.52 O ATOM 188 OD2 ASP A 12 -4.374 -26.515 13.319 1.00 23.25 O ATOM 0 H ASP A 12 -4.149 -24.931 9.505 1.00 60.01 H new ATOM 0 HA ASP A 12 -6.699 -25.724 10.773 1.00 74.43 H new ATOM 0 HB2 ASP A 12 -4.108 -24.649 11.723 1.00 44.42 H new ATOM 0 HB3 ASP A 12 -5.503 -23.823 12.388 1.00 44.42 H new ATOM 193 N SER A 13 -7.752 -23.383 10.769 1.00 43.03 N ATOM 194 CA SER A 13 -8.495 -22.173 10.436 1.00 31.34 C ATOM 195 C SER A 13 -7.881 -20.954 11.117 1.00 2.10 C ATOM 196 O SER A 13 -7.510 -19.982 10.458 1.00 31.51 O ATOM 197 CB SER A 13 -9.960 -22.319 10.852 1.00 72.41 C ATOM 198 OG SER A 13 -10.399 -21.186 11.580 1.00 12.04 O ATOM 0 H SER A 13 -8.195 -23.969 11.477 1.00 43.03 H new ATOM 0 HA SER A 13 -8.443 -22.029 9.357 1.00 31.34 H new ATOM 0 HB2 SER A 13 -10.582 -22.449 9.966 1.00 72.41 H new ATOM 0 HB3 SER A 13 -10.081 -23.215 11.460 1.00 72.41 H new ATOM 0 HG SER A 13 -11.339 -21.303 11.833 1.00 12.04 H new ATOM 204 N SER A 14 -7.777 -21.013 12.441 1.00 44.22 N ATOM 205 CA SER A 14 -7.211 -19.913 13.213 1.00 50.42 C ATOM 206 C SER A 14 -5.731 -19.728 12.891 1.00 11.24 C ATOM 207 O SER A 14 -5.249 -18.602 12.760 1.00 73.21 O ATOM 208 CB SER A 14 -7.391 -20.167 14.711 1.00 54.14 C ATOM 209 OG SER A 14 -6.941 -21.463 15.066 1.00 43.42 O ATOM 0 H SER A 14 -8.077 -21.811 13.001 1.00 44.22 H new ATOM 0 HA SER A 14 -7.741 -19.000 12.940 1.00 50.42 H new ATOM 0 HB2 SER A 14 -6.838 -19.418 15.279 1.00 54.14 H new ATOM 0 HB3 SER A 14 -8.442 -20.058 14.978 1.00 54.14 H new ATOM 0 HG SER A 14 -7.065 -21.600 16.028 1.00 43.42 H new ATOM 215 N ILE A 15 -5.016 -20.841 12.766 1.00 1.45 N ATOM 216 CA ILE A 15 -3.592 -20.802 12.460 1.00 65.24 C ATOM 217 C ILE A 15 -3.313 -19.910 11.255 1.00 5.41 C ATOM 218 O ILE A 15 -2.333 -19.164 11.236 1.00 14.51 O ATOM 219 CB ILE A 15 -3.038 -22.212 12.179 1.00 40.21 C ATOM 220 CG1 ILE A 15 -2.968 -23.023 13.474 1.00 32.22 C ATOM 221 CG2 ILE A 15 -1.665 -22.122 11.529 1.00 13.01 C ATOM 222 CD1 ILE A 15 -2.080 -22.402 14.529 1.00 14.35 C ATOM 0 H ILE A 15 -5.400 -21.780 12.872 1.00 1.45 H new ATOM 0 HA ILE A 15 -3.092 -20.391 13.337 1.00 65.24 H new ATOM 0 HB ILE A 15 -3.712 -22.721 11.490 1.00 40.21 H new ATOM 0 HG12 ILE A 15 -3.974 -23.135 13.878 1.00 32.22 H new ATOM 0 HG13 ILE A 15 -2.602 -24.024 13.247 1.00 32.22 H new ATOM 0 HG21 ILE A 15 -1.287 -23.126 11.337 1.00 13.01 H new ATOM 0 HG22 ILE A 15 -1.743 -21.577 10.588 1.00 13.01 H new ATOM 0 HG23 ILE A 15 -0.980 -21.598 12.196 1.00 13.01 H new ATOM 0 HD11 ILE A 15 -2.078 -23.031 15.419 1.00 14.35 H new ATOM 0 HD12 ILE A 15 -1.064 -22.315 14.144 1.00 14.35 H new ATOM 0 HD13 ILE A 15 -2.457 -21.412 14.785 1.00 14.35 H new ATOM 234 N ARG A 16 -4.181 -19.990 10.252 1.00 23.21 N ATOM 235 CA ARG A 16 -4.028 -19.189 9.044 1.00 73.15 C ATOM 236 C ARG A 16 -4.561 -17.776 9.257 1.00 15.55 C ATOM 237 O ARG A 16 -4.154 -16.838 8.572 1.00 52.32 O ATOM 238 CB ARG A 16 -4.759 -19.850 7.873 1.00 42.51 C ATOM 239 CG ARG A 16 -6.159 -19.304 7.643 1.00 21.31 C ATOM 240 CD ARG A 16 -7.046 -20.323 6.944 1.00 4.20 C ATOM 241 NE ARG A 16 -8.114 -19.685 6.179 1.00 22.02 N ATOM 242 CZ ARG A 16 -9.184 -19.127 6.735 1.00 25.11 C ATOM 243 NH1 ARG A 16 -9.326 -19.128 8.053 1.00 33.02 N ATOM 244 NH2 ARG A 16 -10.113 -18.566 5.972 1.00 21.20 N ATOM 0 H ARG A 16 -4.997 -20.601 10.252 1.00 23.21 H new ATOM 0 HA ARG A 16 -2.965 -19.126 8.812 1.00 73.15 H new ATOM 0 HB2 ARG A 16 -4.171 -19.714 6.965 1.00 42.51 H new ATOM 0 HB3 ARG A 16 -4.822 -20.923 8.054 1.00 42.51 H new ATOM 0 HG2 ARG A 16 -6.604 -19.027 8.599 1.00 21.31 H new ATOM 0 HG3 ARG A 16 -6.103 -18.396 7.042 1.00 21.31 H new ATOM 0 HD2 ARG A 16 -6.439 -20.936 6.278 1.00 4.20 H new ATOM 0 HD3 ARG A 16 -7.481 -20.993 7.685 1.00 4.20 H new ATOM 0 HE ARG A 16 -8.034 -19.667 5.162 1.00 22.02 H new ATOM 0 HH11 ARG A 16 -8.613 -19.558 8.642 1.00 33.02 H new ATOM 0 HH12 ARG A 16 -10.148 -18.699 8.478 1.00 33.02 H new ATOM 0 HH21 ARG A 16 -10.006 -18.563 4.958 1.00 21.20 H new ATOM 0 HH22 ARG A 16 -10.934 -18.138 6.400 1.00 21.20 H new ATOM 258 N TRP A 17 -5.474 -17.631 10.212 1.00 61.44 N ATOM 259 CA TRP A 17 -6.063 -16.332 10.515 1.00 32.22 C ATOM 260 C TRP A 17 -5.034 -15.402 11.149 1.00 73.34 C ATOM 261 O TRP A 17 -4.862 -14.264 10.714 1.00 44.50 O ATOM 262 CB TRP A 17 -7.262 -16.499 11.450 1.00 30.14 C ATOM 263 CG TRP A 17 -7.638 -15.236 12.165 1.00 72.40 C ATOM 264 CD1 TRP A 17 -8.483 -14.261 11.716 1.00 25.34 C ATOM 265 CD2 TRP A 17 -7.181 -14.813 13.454 1.00 52.41 C ATOM 266 NE1 TRP A 17 -8.578 -13.257 12.649 1.00 41.40 N ATOM 267 CE2 TRP A 17 -7.790 -13.571 13.724 1.00 21.33 C ATOM 268 CE3 TRP A 17 -6.319 -15.361 14.407 1.00 60.52 C ATOM 269 CZ2 TRP A 17 -7.561 -12.872 14.906 1.00 34.35 C ATOM 270 CZ3 TRP A 17 -6.093 -14.666 15.580 1.00 61.35 C ATOM 271 CH2 TRP A 17 -6.713 -13.433 15.822 1.00 65.13 C ATOM 0 H TRP A 17 -5.822 -18.397 10.789 1.00 61.44 H new ATOM 0 HA TRP A 17 -6.400 -15.886 9.579 1.00 32.22 H new ATOM 0 HB2 TRP A 17 -8.118 -16.850 10.873 1.00 30.14 H new ATOM 0 HB3 TRP A 17 -7.035 -17.271 12.186 1.00 30.14 H new ATOM 0 HD1 TRP A 17 -9.000 -14.277 10.768 1.00 25.34 H new ATOM 0 HE1 TRP A 17 -9.144 -12.414 12.556 1.00 41.40 H new ATOM 0 HE3 TRP A 17 -5.837 -16.311 14.230 1.00 60.52 H new ATOM 0 HZ2 TRP A 17 -8.036 -11.920 15.094 1.00 34.35 H new ATOM 0 HZ3 TRP A 17 -5.427 -15.080 16.323 1.00 61.35 H new ATOM 0 HH2 TRP A 17 -6.518 -12.915 16.749 1.00 65.13 H new ATOM 282 N VAL A 18 -4.352 -15.895 12.178 1.00 13.50 N ATOM 283 CA VAL A 18 -3.339 -15.107 12.870 1.00 20.43 C ATOM 284 C VAL A 18 -2.404 -14.422 11.880 1.00 14.30 C ATOM 285 O VAL A 18 -1.924 -13.315 12.127 1.00 53.41 O ATOM 286 CB VAL A 18 -2.505 -15.982 13.826 1.00 40.44 C ATOM 287 CG1 VAL A 18 -3.409 -16.717 14.803 1.00 10.12 C ATOM 288 CG2 VAL A 18 -1.648 -16.962 13.039 1.00 40.33 C ATOM 0 H VAL A 18 -4.482 -16.836 12.550 1.00 13.50 H new ATOM 0 HA VAL A 18 -3.868 -14.350 13.449 1.00 20.43 H new ATOM 0 HB VAL A 18 -1.842 -15.334 14.399 1.00 40.44 H new ATOM 0 HG11 VAL A 18 -2.802 -17.330 15.470 1.00 10.12 H new ATOM 0 HG12 VAL A 18 -3.975 -15.994 15.390 1.00 10.12 H new ATOM 0 HG13 VAL A 18 -4.099 -17.356 14.251 1.00 10.12 H new ATOM 0 HG21 VAL A 18 -1.066 -17.572 13.730 1.00 40.33 H new ATOM 0 HG22 VAL A 18 -2.290 -17.606 12.439 1.00 40.33 H new ATOM 0 HG23 VAL A 18 -0.973 -16.411 12.384 1.00 40.33 H new ATOM 298 N LEU A 19 -2.150 -15.086 10.758 1.00 11.10 N ATOM 299 CA LEU A 19 -1.273 -14.540 9.728 1.00 24.41 C ATOM 300 C LEU A 19 -2.040 -13.606 8.798 1.00 61.53 C ATOM 301 O LEU A 19 -1.522 -12.574 8.375 1.00 43.32 O ATOM 302 CB LEU A 19 -0.636 -15.673 8.921 1.00 43.12 C ATOM 303 CG LEU A 19 0.643 -16.275 9.503 1.00 23.43 C ATOM 304 CD1 LEU A 19 1.120 -17.442 8.652 1.00 40.44 C ATOM 305 CD2 LEU A 19 1.729 -15.215 9.615 1.00 23.32 C ATOM 0 H LEU A 19 -2.539 -16.003 10.538 1.00 11.10 H new ATOM 0 HA LEU A 19 -0.488 -13.966 10.220 1.00 24.41 H new ATOM 0 HB2 LEU A 19 -1.371 -16.470 8.809 1.00 43.12 H new ATOM 0 HB3 LEU A 19 -0.416 -15.300 7.921 1.00 43.12 H new ATOM 0 HG LEU A 19 0.423 -16.648 10.503 1.00 23.43 H new ATOM 0 HD11 LEU A 19 2.031 -17.857 9.082 1.00 40.44 H new ATOM 0 HD12 LEU A 19 0.348 -18.211 8.624 1.00 40.44 H new ATOM 0 HD13 LEU A 19 1.323 -17.095 7.639 1.00 40.44 H new ATOM 0 HD21 LEU A 19 2.632 -15.662 10.031 1.00 23.32 H new ATOM 0 HD22 LEU A 19 1.947 -14.811 8.626 1.00 23.32 H new ATOM 0 HD23 LEU A 19 1.387 -14.412 10.268 1.00 23.32 H new ATOM 317 N GLU A 20 -3.278 -13.977 8.485 1.00 1.53 N ATOM 318 CA GLU A 20 -4.117 -13.170 7.606 1.00 25.30 C ATOM 319 C GLU A 20 -4.380 -11.796 8.215 1.00 62.10 C ATOM 320 O GLU A 20 -4.234 -10.772 7.548 1.00 51.41 O ATOM 321 CB GLU A 20 -5.443 -13.883 7.335 1.00 32.04 C ATOM 322 CG GLU A 20 -5.858 -13.863 5.874 1.00 63.13 C ATOM 323 CD GLU A 20 -6.779 -12.705 5.544 1.00 15.04 C ATOM 324 OE1 GLU A 20 -6.616 -11.626 6.152 1.00 62.11 O ATOM 325 OE2 GLU A 20 -7.664 -12.877 4.680 1.00 31.22 O ATOM 0 H GLU A 20 -3.722 -14.830 8.826 1.00 1.53 H new ATOM 0 HA GLU A 20 -3.587 -13.034 6.663 1.00 25.30 H new ATOM 0 HB2 GLU A 20 -5.364 -14.918 7.667 1.00 32.04 H new ATOM 0 HB3 GLU A 20 -6.226 -13.416 7.933 1.00 32.04 H new ATOM 0 HG2 GLU A 20 -4.967 -13.804 5.248 1.00 63.13 H new ATOM 0 HG3 GLU A 20 -6.357 -14.800 5.629 1.00 63.13 H new ATOM 332 N ARG A 21 -4.769 -11.783 9.486 1.00 60.23 N ATOM 333 CA ARG A 21 -5.055 -10.536 10.185 1.00 44.04 C ATOM 334 C ARG A 21 -3.780 -9.723 10.389 1.00 44.12 C ATOM 335 O ARG A 21 -3.831 -8.510 10.589 1.00 43.35 O ATOM 336 CB ARG A 21 -5.711 -10.823 11.536 1.00 12.22 C ATOM 337 CG ARG A 21 -4.815 -11.584 12.499 1.00 31.13 C ATOM 338 CD ARG A 21 -5.044 -11.146 13.938 1.00 71.35 C ATOM 339 NE ARG A 21 -4.091 -10.122 14.356 1.00 21.02 N ATOM 340 CZ ARG A 21 -4.170 -9.473 15.512 1.00 13.14 C ATOM 341 NH1 ARG A 21 -5.153 -9.741 16.361 1.00 54.23 N ATOM 342 NH2 ARG A 21 -3.265 -8.554 15.822 1.00 4.03 N ATOM 0 H ARG A 21 -4.893 -12.622 10.052 1.00 60.23 H new ATOM 0 HA ARG A 21 -5.743 -9.954 9.571 1.00 44.04 H new ATOM 0 HB2 ARG A 21 -6.005 -9.879 11.995 1.00 12.22 H new ATOM 0 HB3 ARG A 21 -6.624 -11.396 11.373 1.00 12.22 H new ATOM 0 HG2 ARG A 21 -5.007 -12.653 12.408 1.00 31.13 H new ATOM 0 HG3 ARG A 21 -3.771 -11.423 12.230 1.00 31.13 H new ATOM 0 HD2 ARG A 21 -6.059 -10.762 14.043 1.00 71.35 H new ATOM 0 HD3 ARG A 21 -4.961 -12.010 14.598 1.00 71.35 H new ATOM 0 HE ARG A 21 -3.323 -9.893 13.726 1.00 21.02 H new ATOM 0 HH11 ARG A 21 -5.851 -10.447 16.127 1.00 54.23 H new ATOM 0 HH12 ARG A 21 -5.211 -9.241 17.248 1.00 54.23 H new ATOM 0 HH21 ARG A 21 -2.507 -8.345 15.172 1.00 4.03 H new ATOM 0 HH22 ARG A 21 -3.327 -8.056 16.710 1.00 4.03 H new ATOM 356 N ALA A 22 -2.637 -10.400 10.338 1.00 74.33 N ATOM 357 CA ALA A 22 -1.350 -9.741 10.515 1.00 24.04 C ATOM 358 C ALA A 22 -1.026 -8.839 9.329 1.00 71.41 C ATOM 359 O ALA A 22 -0.619 -7.690 9.502 1.00 12.24 O ATOM 360 CB ALA A 22 -0.250 -10.774 10.711 1.00 71.53 C ATOM 0 H ALA A 22 -2.577 -11.405 10.175 1.00 74.33 H new ATOM 0 HA ALA A 22 -1.410 -9.117 11.406 1.00 24.04 H new ATOM 0 HB1 ALA A 22 0.706 -10.267 10.842 1.00 71.53 H new ATOM 0 HB2 ALA A 22 -0.467 -11.373 11.595 1.00 71.53 H new ATOM 0 HB3 ALA A 22 -0.200 -11.423 9.836 1.00 71.53 H new ATOM 366 N LEU A 23 -1.208 -9.367 8.124 1.00 74.53 N ATOM 367 CA LEU A 23 -0.935 -8.610 6.907 1.00 31.02 C ATOM 368 C LEU A 23 -2.022 -7.569 6.658 1.00 5.35 C ATOM 369 O LEU A 23 -1.735 -6.442 6.255 1.00 25.12 O ATOM 370 CB LEU A 23 -0.833 -9.554 5.708 1.00 42.44 C ATOM 371 CG LEU A 23 -0.045 -10.845 5.934 1.00 15.43 C ATOM 372 CD1 LEU A 23 -0.332 -11.846 4.826 1.00 44.10 C ATOM 373 CD2 LEU A 23 1.445 -10.552 6.019 1.00 25.14 C ATOM 0 H LEU A 23 -1.544 -10.317 7.963 1.00 74.53 H new ATOM 0 HA LEU A 23 0.015 -8.092 7.036 1.00 31.02 H new ATOM 0 HB2 LEU A 23 -1.842 -9.819 5.393 1.00 42.44 H new ATOM 0 HB3 LEU A 23 -0.373 -9.011 4.882 1.00 42.44 H new ATOM 0 HG LEU A 23 -0.363 -11.282 6.881 1.00 15.43 H new ATOM 0 HD11 LEU A 23 0.237 -12.758 5.003 1.00 44.10 H new ATOM 0 HD12 LEU A 23 -1.397 -12.079 4.813 1.00 44.10 H new ATOM 0 HD13 LEU A 23 -0.043 -11.419 3.866 1.00 44.10 H new ATOM 0 HD21 LEU A 23 1.990 -11.482 6.180 1.00 25.14 H new ATOM 0 HD22 LEU A 23 1.779 -10.092 5.089 1.00 25.14 H new ATOM 0 HD23 LEU A 23 1.635 -9.872 6.849 1.00 25.14 H new ATOM 385 N ALA A 24 -3.270 -7.953 6.904 1.00 62.21 N ATOM 386 CA ALA A 24 -4.399 -7.052 6.711 1.00 42.32 C ATOM 387 C ALA A 24 -4.161 -5.717 7.408 1.00 43.51 C ATOM 388 O ALA A 24 -4.373 -4.654 6.825 1.00 71.21 O ATOM 389 CB ALA A 24 -5.680 -7.694 7.220 1.00 34.23 C ATOM 0 H ALA A 24 -3.525 -8.883 7.238 1.00 62.21 H new ATOM 0 HA ALA A 24 -4.501 -6.861 5.643 1.00 42.32 H new ATOM 0 HB1 ALA A 24 -6.515 -7.010 7.069 1.00 34.23 H new ATOM 0 HB2 ALA A 24 -5.866 -8.619 6.673 1.00 34.23 H new ATOM 0 HB3 ALA A 24 -5.579 -7.915 8.283 1.00 34.23 H new ATOM 395 N GLY A 25 -3.719 -5.778 8.660 1.00 23.55 N ATOM 396 CA GLY A 25 -3.460 -4.567 9.417 1.00 71.14 C ATOM 397 C GLY A 25 -2.065 -4.024 9.182 1.00 44.12 C ATOM 398 O GLY A 25 -1.691 -2.992 9.738 1.00 14.41 O ATOM 0 H GLY A 25 -3.535 -6.645 9.164 1.00 23.55 H new ATOM 0 HA2 GLY A 25 -4.193 -3.808 9.144 1.00 71.14 H new ATOM 0 HA3 GLY A 25 -3.593 -4.771 10.479 1.00 71.14 H new ATOM 402 N ALA A 26 -1.291 -4.721 8.357 1.00 62.54 N ATOM 403 CA ALA A 26 0.071 -4.303 8.049 1.00 1.14 C ATOM 404 C ALA A 26 0.120 -3.501 6.753 1.00 31.12 C ATOM 405 O ALA A 26 1.016 -2.683 6.551 1.00 11.44 O ATOM 406 CB ALA A 26 0.988 -5.514 7.958 1.00 54.10 C ATOM 0 H ALA A 26 -1.584 -5.579 7.889 1.00 62.54 H new ATOM 0 HA ALA A 26 0.418 -3.659 8.857 1.00 1.14 H new ATOM 0 HB1 ALA A 26 2.002 -5.186 7.727 1.00 54.10 H new ATOM 0 HB2 ALA A 26 0.986 -6.044 8.910 1.00 54.10 H new ATOM 0 HB3 ALA A 26 0.634 -6.180 7.171 1.00 54.10 H new ATOM 412 N GLY A 27 -0.850 -3.743 5.876 1.00 0.22 N ATOM 413 CA GLY A 27 -0.898 -3.036 4.610 1.00 51.42 C ATOM 414 C GLY A 27 -0.317 -3.848 3.470 1.00 73.24 C ATOM 415 O GLY A 27 0.212 -3.291 2.507 1.00 24.31 O ATOM 0 H GLY A 27 -1.603 -4.416 6.020 1.00 0.22 H new ATOM 0 HA2 GLY A 27 -1.932 -2.780 4.379 1.00 51.42 H new ATOM 0 HA3 GLY A 27 -0.350 -2.098 4.700 1.00 51.42 H new ATOM 419 N LEU A 28 -0.414 -5.169 3.577 1.00 15.30 N ATOM 420 CA LEU A 28 0.107 -6.061 2.547 1.00 1.51 C ATOM 421 C LEU A 28 -0.898 -7.159 2.218 1.00 75.13 C ATOM 422 O LEU A 28 -1.596 -7.663 3.099 1.00 41.20 O ATOM 423 CB LEU A 28 1.428 -6.683 3.004 1.00 13.43 C ATOM 424 CG LEU A 28 2.184 -5.924 4.096 1.00 64.54 C ATOM 425 CD1 LEU A 28 3.347 -6.756 4.615 1.00 41.11 C ATOM 426 CD2 LEU A 28 2.678 -4.584 3.570 1.00 74.32 C ATOM 0 H LEU A 28 -0.849 -5.646 4.367 1.00 15.30 H new ATOM 0 HA LEU A 28 0.282 -5.473 1.646 1.00 1.51 H new ATOM 0 HB2 LEU A 28 1.226 -7.692 3.364 1.00 13.43 H new ATOM 0 HB3 LEU A 28 2.081 -6.778 2.137 1.00 13.43 H new ATOM 0 HG LEU A 28 1.499 -5.737 4.923 1.00 64.54 H new ATOM 0 HD11 LEU A 28 3.874 -6.201 5.391 1.00 41.11 H new ATOM 0 HD12 LEU A 28 2.969 -7.690 5.030 1.00 41.11 H new ATOM 0 HD13 LEU A 28 4.033 -6.974 3.796 1.00 41.11 H new ATOM 0 HD21 LEU A 28 3.213 -4.058 4.360 1.00 74.32 H new ATOM 0 HD22 LEU A 28 3.347 -4.749 2.726 1.00 74.32 H new ATOM 0 HD23 LEU A 28 1.827 -3.984 3.247 1.00 74.32 H new ATOM 438 N THR A 29 -0.967 -7.529 0.942 1.00 11.35 N ATOM 439 CA THR A 29 -1.886 -8.568 0.496 1.00 30.24 C ATOM 440 C THR A 29 -1.760 -9.820 1.357 1.00 1.12 C ATOM 441 O THR A 29 -0.742 -10.030 2.019 1.00 54.14 O ATOM 442 CB THR A 29 -1.636 -8.944 -0.976 1.00 75.43 C ATOM 443 OG1 THR A 29 -1.462 -7.760 -1.762 1.00 14.12 O ATOM 444 CG2 THR A 29 -2.795 -9.761 -1.530 1.00 43.51 C ATOM 0 H THR A 29 -0.397 -7.124 0.200 1.00 11.35 H new ATOM 0 HA THR A 29 -2.893 -8.163 0.594 1.00 30.24 H new ATOM 0 HB THR A 29 -0.730 -9.548 -1.025 1.00 75.43 H new ATOM 0 HG1 THR A 29 -1.493 -7.992 -2.714 1.00 14.12 H new ATOM 0 HG21 THR A 29 -2.596 -10.015 -2.571 1.00 43.51 H new ATOM 0 HG22 THR A 29 -2.906 -10.676 -0.948 1.00 43.51 H new ATOM 0 HG23 THR A 29 -3.714 -9.178 -1.468 1.00 43.51 H new ATOM 452 N CYS A 30 -2.798 -10.648 1.344 1.00 72.31 N ATOM 453 CA CYS A 30 -2.803 -11.881 2.124 1.00 12.43 C ATOM 454 C CYS A 30 -3.618 -12.964 1.425 1.00 12.31 C ATOM 455 O CYS A 30 -4.810 -12.791 1.168 1.00 33.23 O ATOM 456 CB CYS A 30 -3.369 -11.622 3.521 1.00 2.34 C ATOM 457 SG CYS A 30 -4.969 -10.780 3.526 1.00 41.24 S ATOM 0 H CYS A 30 -3.647 -10.488 0.802 1.00 72.31 H new ATOM 0 HA CYS A 30 -1.774 -12.229 2.215 1.00 12.43 H new ATOM 0 HB2 CYS A 30 -3.470 -12.574 4.042 1.00 2.34 H new ATOM 0 HB3 CYS A 30 -2.654 -11.024 4.086 1.00 2.34 H new ATOM 0 HG CYS A 30 -5.673 -11.180 2.509 1.00 41.24 H new ATOM 463 N THR A 31 -2.967 -14.081 1.117 1.00 31.23 N ATOM 464 CA THR A 31 -3.630 -15.192 0.445 1.00 1.51 C ATOM 465 C THR A 31 -3.445 -16.492 1.219 1.00 52.12 C ATOM 466 O THR A 31 -2.341 -17.032 1.292 1.00 61.22 O ATOM 467 CB THR A 31 -3.097 -15.380 -0.988 1.00 3.33 C ATOM 468 OG1 THR A 31 -3.147 -14.136 -1.696 1.00 71.54 O ATOM 469 CG2 THR A 31 -3.908 -16.428 -1.734 1.00 14.21 C ATOM 0 H THR A 31 -1.981 -14.241 1.322 1.00 31.23 H new ATOM 0 HA THR A 31 -4.691 -14.947 0.401 1.00 1.51 H new ATOM 0 HB THR A 31 -2.063 -15.721 -0.926 1.00 3.33 H new ATOM 0 HG1 THR A 31 -2.250 -13.905 -2.016 1.00 71.54 H new ATOM 0 HG21 THR A 31 -3.513 -16.543 -2.743 1.00 14.21 H new ATOM 0 HG22 THR A 31 -3.843 -17.380 -1.208 1.00 14.21 H new ATOM 0 HG23 THR A 31 -4.950 -16.112 -1.786 1.00 14.21 H new ATOM 477 N THR A 32 -4.534 -16.992 1.796 1.00 43.23 N ATOM 478 CA THR A 32 -4.491 -18.229 2.565 1.00 74.14 C ATOM 479 C THR A 32 -5.108 -19.384 1.783 1.00 42.51 C ATOM 480 O THR A 32 -6.236 -19.287 1.299 1.00 1.42 O ATOM 481 CB THR A 32 -5.230 -18.081 3.908 1.00 74.30 C ATOM 482 OG1 THR A 32 -6.646 -18.099 3.693 1.00 50.21 O ATOM 483 CG2 THR A 32 -4.834 -16.788 4.604 1.00 31.11 C ATOM 0 H THR A 32 -5.456 -16.559 1.745 1.00 43.23 H new ATOM 0 HA THR A 32 -3.440 -18.445 2.759 1.00 74.14 H new ATOM 0 HB THR A 32 -4.949 -18.919 4.546 1.00 74.30 H new ATOM 0 HG1 THR A 32 -6.841 -18.522 2.831 1.00 50.21 H new ATOM 0 HG21 THR A 32 -5.369 -16.706 5.550 1.00 31.11 H new ATOM 0 HG22 THR A 32 -3.760 -16.790 4.793 1.00 31.11 H new ATOM 0 HG23 THR A 32 -5.089 -15.940 3.968 1.00 31.11 H new ATOM 491 N PHE A 33 -4.361 -20.476 1.663 1.00 32.30 N ATOM 492 CA PHE A 33 -4.835 -21.650 0.939 1.00 22.32 C ATOM 493 C PHE A 33 -5.236 -22.760 1.906 1.00 23.43 C ATOM 494 O PHE A 33 -6.213 -22.632 2.643 1.00 21.20 O ATOM 495 CB PHE A 33 -3.753 -22.157 -0.017 1.00 21.24 C ATOM 496 CG PHE A 33 -3.364 -21.156 -1.067 1.00 21.32 C ATOM 497 CD1 PHE A 33 -2.358 -20.234 -0.825 1.00 71.53 C ATOM 498 CD2 PHE A 33 -4.005 -21.137 -2.295 1.00 45.02 C ATOM 499 CE1 PHE A 33 -1.997 -19.312 -1.790 1.00 34.23 C ATOM 500 CE2 PHE A 33 -3.648 -20.217 -3.263 1.00 61.55 C ATOM 501 CZ PHE A 33 -2.644 -19.303 -3.010 1.00 70.20 C ATOM 0 H PHE A 33 -3.425 -20.573 2.057 1.00 32.30 H new ATOM 0 HA PHE A 33 -5.713 -21.360 0.362 1.00 22.32 H new ATOM 0 HB2 PHE A 33 -2.869 -22.429 0.559 1.00 21.24 H new ATOM 0 HB3 PHE A 33 -4.107 -23.065 -0.505 1.00 21.24 H new ATOM 0 HD1 PHE A 33 -1.850 -20.236 0.128 1.00 71.53 H new ATOM 0 HD2 PHE A 33 -4.792 -21.848 -2.498 1.00 45.02 H new ATOM 0 HE1 PHE A 33 -1.210 -18.600 -1.590 1.00 34.23 H new ATOM 0 HE2 PHE A 33 -4.154 -20.213 -4.217 1.00 61.55 H new ATOM 0 HZ PHE A 33 -2.365 -18.583 -3.765 1.00 70.20 H new ATOM 511 N GLU A 34 -4.474 -23.850 1.896 1.00 5.55 N ATOM 512 CA GLU A 34 -4.750 -24.983 2.772 1.00 52.44 C ATOM 513 C GLU A 34 -3.774 -26.125 2.507 1.00 22.24 C ATOM 514 O GLU A 34 -3.409 -26.867 3.419 1.00 51.05 O ATOM 515 CB GLU A 34 -6.187 -25.469 2.574 1.00 73.33 C ATOM 516 CG GLU A 34 -6.604 -25.560 1.115 1.00 23.53 C ATOM 517 CD GLU A 34 -8.059 -25.953 0.947 1.00 2.14 C ATOM 518 OE1 GLU A 34 -8.391 -27.127 1.211 1.00 34.14 O ATOM 519 OE2 GLU A 34 -8.865 -25.085 0.552 1.00 1.31 O ATOM 0 H GLU A 34 -3.662 -23.972 1.291 1.00 5.55 H new ATOM 0 HA GLU A 34 -4.624 -24.653 3.803 1.00 52.44 H new ATOM 0 HB2 GLU A 34 -6.297 -26.450 3.036 1.00 73.33 H new ATOM 0 HB3 GLU A 34 -6.865 -24.793 3.095 1.00 73.33 H new ATOM 0 HG2 GLU A 34 -6.433 -24.598 0.632 1.00 23.53 H new ATOM 0 HG3 GLU A 34 -5.974 -26.289 0.606 1.00 23.53 H new ATOM 526 N ASN A 35 -3.355 -26.260 1.253 1.00 33.12 N ATOM 527 CA ASN A 35 -2.422 -27.313 0.868 1.00 52.42 C ATOM 528 C ASN A 35 -1.123 -26.718 0.333 1.00 25.44 C ATOM 529 O ASN A 35 -1.135 -25.880 -0.567 1.00 61.52 O ATOM 530 CB ASN A 35 -3.054 -28.221 -0.189 1.00 45.44 C ATOM 531 CG ASN A 35 -3.192 -29.654 0.287 1.00 12.54 C ATOM 532 OD1 ASN A 35 -2.327 -30.171 0.995 1.00 52.45 O ATOM 533 ND2 ASN A 35 -4.285 -30.302 -0.099 1.00 24.41 N ATOM 0 H ASN A 35 -3.647 -25.654 0.486 1.00 33.12 H new ATOM 0 HA ASN A 35 -2.193 -27.904 1.755 1.00 52.42 H new ATOM 0 HB2 ASN A 35 -4.037 -27.833 -0.456 1.00 45.44 H new ATOM 0 HB3 ASN A 35 -2.446 -28.199 -1.094 1.00 45.44 H new ATOM 0 HD21 ASN A 35 -4.434 -31.268 0.191 1.00 24.41 H new ATOM 0 HD22 ASN A 35 -4.975 -29.833 -0.686 1.00 24.41 H new ATOM 540 N GLY A 36 -0.001 -27.160 0.896 1.00 51.45 N ATOM 541 CA GLY A 36 1.291 -26.661 0.463 1.00 64.52 C ATOM 542 C GLY A 36 1.466 -26.733 -1.041 1.00 44.02 C ATOM 543 O GLY A 36 1.845 -25.750 -1.676 1.00 4.30 O ATOM 0 H GLY A 36 0.035 -27.854 1.643 1.00 51.45 H new ATOM 0 HA2 GLY A 36 1.406 -25.628 0.790 1.00 64.52 H new ATOM 0 HA3 GLY A 36 2.080 -27.238 0.946 1.00 64.52 H new ATOM 547 N ASN A 37 1.191 -27.901 -1.613 1.00 0.04 N ATOM 548 CA ASN A 37 1.322 -28.098 -3.052 1.00 5.33 C ATOM 549 C ASN A 37 0.448 -27.110 -3.818 1.00 2.41 C ATOM 550 O ASN A 37 0.713 -26.803 -4.980 1.00 24.14 O ATOM 551 CB ASN A 37 0.942 -29.531 -3.428 1.00 62.04 C ATOM 552 CG ASN A 37 0.906 -29.744 -4.929 1.00 64.24 C ATOM 553 OD1 ASN A 37 1.853 -29.403 -5.639 1.00 13.42 O ATOM 554 ND2 ASN A 37 -0.189 -30.312 -5.420 1.00 54.52 N ATOM 0 H ASN A 37 0.876 -28.725 -1.102 1.00 0.04 H new ATOM 0 HA ASN A 37 2.363 -27.922 -3.325 1.00 5.33 H new ATOM 0 HB2 ASN A 37 1.657 -30.223 -2.983 1.00 62.04 H new ATOM 0 HB3 ASN A 37 -0.035 -29.768 -3.007 1.00 62.04 H new ATOM 0 HD21 ASN A 37 -0.270 -30.482 -6.423 1.00 54.52 H new ATOM 0 HD22 ASN A 37 -0.949 -30.579 -4.795 1.00 54.52 H new ATOM 561 N GLU A 38 -0.594 -26.615 -3.158 1.00 15.01 N ATOM 562 CA GLU A 38 -1.508 -25.662 -3.778 1.00 4.24 C ATOM 563 C GLU A 38 -0.873 -24.277 -3.862 1.00 11.51 C ATOM 564 O GLU A 38 -1.343 -23.410 -4.600 1.00 24.22 O ATOM 565 CB GLU A 38 -2.816 -25.588 -2.988 1.00 73.22 C ATOM 566 CG GLU A 38 -4.058 -25.668 -3.860 1.00 32.11 C ATOM 567 CD GLU A 38 -5.224 -26.333 -3.154 1.00 53.05 C ATOM 568 OE1 GLU A 38 -5.929 -25.641 -2.390 1.00 64.11 O ATOM 569 OE2 GLU A 38 -5.432 -27.546 -3.368 1.00 13.14 O ATOM 0 H GLU A 38 -0.826 -26.858 -2.195 1.00 15.01 H new ATOM 0 HA GLU A 38 -1.722 -26.007 -4.789 1.00 4.24 H new ATOM 0 HB2 GLU A 38 -2.839 -26.401 -2.262 1.00 73.22 H new ATOM 0 HB3 GLU A 38 -2.838 -24.656 -2.424 1.00 73.22 H new ATOM 0 HG2 GLU A 38 -4.348 -24.663 -4.165 1.00 32.11 H new ATOM 0 HG3 GLU A 38 -3.824 -26.222 -4.769 1.00 32.11 H new ATOM 576 N VAL A 39 0.197 -24.075 -3.100 1.00 2.13 N ATOM 577 CA VAL A 39 0.897 -22.796 -3.088 1.00 2.02 C ATOM 578 C VAL A 39 1.991 -22.758 -4.149 1.00 72.13 C ATOM 579 O VAL A 39 2.171 -21.751 -4.836 1.00 33.25 O ATOM 580 CB VAL A 39 1.524 -22.512 -1.710 1.00 24.31 C ATOM 581 CG1 VAL A 39 1.929 -21.050 -1.598 1.00 30.30 C ATOM 582 CG2 VAL A 39 0.560 -22.894 -0.597 1.00 52.22 C ATOM 0 H VAL A 39 0.598 -24.781 -2.483 1.00 2.13 H new ATOM 0 HA VAL A 39 0.155 -22.028 -3.307 1.00 2.02 H new ATOM 0 HB VAL A 39 2.422 -23.121 -1.606 1.00 24.31 H new ATOM 0 HG11 VAL A 39 2.370 -20.869 -0.618 1.00 30.30 H new ATOM 0 HG12 VAL A 39 2.658 -20.814 -2.373 1.00 30.30 H new ATOM 0 HG13 VAL A 39 1.050 -20.418 -1.723 1.00 30.30 H new ATOM 0 HG21 VAL A 39 1.019 -22.687 0.369 1.00 52.22 H new ATOM 0 HG22 VAL A 39 -0.357 -22.313 -0.695 1.00 52.22 H new ATOM 0 HG23 VAL A 39 0.326 -23.956 -0.667 1.00 52.22 H new ATOM 592 N LEU A 40 2.719 -23.861 -4.280 1.00 21.41 N ATOM 593 CA LEU A 40 3.796 -23.956 -5.259 1.00 42.32 C ATOM 594 C LEU A 40 3.315 -23.526 -6.641 1.00 52.03 C ATOM 595 O LEU A 40 4.005 -22.795 -7.350 1.00 43.33 O ATOM 596 CB LEU A 40 4.336 -25.386 -5.317 1.00 2.35 C ATOM 597 CG LEU A 40 4.928 -25.827 -6.656 1.00 13.31 C ATOM 598 CD1 LEU A 40 6.030 -24.874 -7.092 1.00 54.23 C ATOM 599 CD2 LEU A 40 5.457 -27.250 -6.562 1.00 62.23 C ATOM 0 H LEU A 40 2.583 -24.703 -3.720 1.00 21.41 H new ATOM 0 HA LEU A 40 4.596 -23.285 -4.947 1.00 42.32 H new ATOM 0 HB2 LEU A 40 5.103 -25.495 -4.550 1.00 2.35 H new ATOM 0 HB3 LEU A 40 3.527 -26.069 -5.058 1.00 2.35 H new ATOM 0 HG LEU A 40 4.138 -25.803 -7.406 1.00 13.31 H new ATOM 0 HD11 LEU A 40 6.440 -25.204 -8.047 1.00 54.23 H new ATOM 0 HD12 LEU A 40 5.621 -23.870 -7.200 1.00 54.23 H new ATOM 0 HD13 LEU A 40 6.821 -24.865 -6.342 1.00 54.23 H new ATOM 0 HD21 LEU A 40 5.875 -27.547 -7.524 1.00 62.23 H new ATOM 0 HD22 LEU A 40 6.233 -27.300 -5.798 1.00 62.23 H new ATOM 0 HD23 LEU A 40 4.643 -27.924 -6.296 1.00 62.23 H new ATOM 611 N ALA A 41 2.125 -23.984 -7.016 1.00 51.25 N ATOM 612 CA ALA A 41 1.549 -23.643 -8.312 1.00 20.35 C ATOM 613 C ALA A 41 1.076 -22.194 -8.338 1.00 35.01 C ATOM 614 O ALA A 41 1.050 -21.559 -9.391 1.00 54.25 O ATOM 615 CB ALA A 41 0.398 -24.583 -8.641 1.00 3.32 C ATOM 0 H ALA A 41 1.541 -24.592 -6.441 1.00 51.25 H new ATOM 0 HA ALA A 41 2.325 -23.758 -9.069 1.00 20.35 H new ATOM 0 HB1 ALA A 41 -0.023 -24.317 -9.611 1.00 3.32 H new ATOM 0 HB2 ALA A 41 0.764 -25.609 -8.673 1.00 3.32 H new ATOM 0 HB3 ALA A 41 -0.373 -24.497 -7.875 1.00 3.32 H new ATOM 621 N ALA A 42 0.701 -21.677 -7.172 1.00 60.50 N ATOM 622 CA ALA A 42 0.230 -20.303 -7.062 1.00 14.41 C ATOM 623 C ALA A 42 1.323 -19.314 -7.452 1.00 62.34 C ATOM 624 O ALA A 42 1.048 -18.270 -8.045 1.00 60.34 O ATOM 625 CB ALA A 42 -0.257 -20.023 -5.647 1.00 64.14 C ATOM 0 H ALA A 42 0.715 -22.190 -6.290 1.00 60.50 H new ATOM 0 HA ALA A 42 -0.603 -20.175 -7.754 1.00 14.41 H new ATOM 0 HB1 ALA A 42 -0.606 -18.993 -5.580 1.00 64.14 H new ATOM 0 HB2 ALA A 42 -1.076 -20.700 -5.403 1.00 64.14 H new ATOM 0 HB3 ALA A 42 0.562 -20.176 -4.944 1.00 64.14 H new ATOM 631 N LEU A 43 2.564 -19.649 -7.116 1.00 10.10 N ATOM 632 CA LEU A 43 3.700 -18.790 -7.431 1.00 42.11 C ATOM 633 C LEU A 43 3.759 -18.491 -8.926 1.00 30.23 C ATOM 634 O LEU A 43 4.119 -17.388 -9.334 1.00 41.35 O ATOM 635 CB LEU A 43 5.004 -19.450 -6.980 1.00 3.23 C ATOM 636 CG LEU A 43 4.971 -20.137 -5.614 1.00 42.20 C ATOM 637 CD1 LEU A 43 6.329 -20.739 -5.287 1.00 34.54 C ATOM 638 CD2 LEU A 43 4.547 -19.154 -4.533 1.00 2.24 C ATOM 0 H LEU A 43 2.809 -20.509 -6.626 1.00 10.10 H new ATOM 0 HA LEU A 43 3.572 -17.849 -6.896 1.00 42.11 H new ATOM 0 HB2 LEU A 43 5.292 -20.188 -7.729 1.00 3.23 H new ATOM 0 HB3 LEU A 43 5.786 -18.690 -6.964 1.00 3.23 H new ATOM 0 HG LEU A 43 4.238 -20.943 -5.651 1.00 42.20 H new ATOM 0 HD11 LEU A 43 6.287 -21.224 -4.312 1.00 34.54 H new ATOM 0 HD12 LEU A 43 6.593 -21.475 -6.047 1.00 34.54 H new ATOM 0 HD13 LEU A 43 7.081 -19.951 -5.268 1.00 34.54 H new ATOM 0 HD21 LEU A 43 4.529 -19.660 -3.568 1.00 2.24 H new ATOM 0 HD22 LEU A 43 5.255 -18.326 -4.496 1.00 2.24 H new ATOM 0 HD23 LEU A 43 3.552 -18.770 -4.760 1.00 2.24 H new ATOM 650 N ALA A 44 3.401 -19.481 -9.736 1.00 73.54 N ATOM 651 CA ALA A 44 3.409 -19.323 -11.185 1.00 75.44 C ATOM 652 C ALA A 44 2.461 -18.211 -11.621 1.00 74.34 C ATOM 653 O ALA A 44 2.536 -17.726 -12.750 1.00 55.21 O ATOM 654 CB ALA A 44 3.034 -20.634 -11.861 1.00 60.03 C ATOM 0 H ALA A 44 3.102 -20.401 -9.414 1.00 73.54 H new ATOM 0 HA ALA A 44 4.418 -19.045 -11.490 1.00 75.44 H new ATOM 0 HB1 ALA A 44 3.044 -20.501 -12.943 1.00 60.03 H new ATOM 0 HB2 ALA A 44 3.753 -21.405 -11.583 1.00 60.03 H new ATOM 0 HB3 ALA A 44 2.036 -20.936 -11.542 1.00 60.03 H new ATOM 660 N SER A 45 1.569 -17.813 -10.720 1.00 12.11 N ATOM 661 CA SER A 45 0.603 -16.761 -11.014 1.00 13.24 C ATOM 662 C SER A 45 1.284 -15.397 -11.066 1.00 1.32 C ATOM 663 O SER A 45 1.489 -14.832 -12.141 1.00 33.14 O ATOM 664 CB SER A 45 -0.507 -16.749 -9.960 1.00 63.32 C ATOM 665 OG SER A 45 -1.159 -18.006 -9.893 1.00 2.43 O ATOM 0 H SER A 45 1.495 -18.203 -9.780 1.00 12.11 H new ATOM 0 HA SER A 45 0.165 -16.967 -11.991 1.00 13.24 H new ATOM 0 HB2 SER A 45 -0.085 -16.502 -8.986 1.00 63.32 H new ATOM 0 HB3 SER A 45 -1.232 -15.972 -10.200 1.00 63.32 H new ATOM 0 HG SER A 45 -0.687 -18.586 -9.260 1.00 2.43 H new ATOM 671 N LYS A 46 1.634 -14.872 -9.896 1.00 73.02 N ATOM 672 CA LYS A 46 2.293 -13.575 -9.806 1.00 5.15 C ATOM 673 C LYS A 46 3.585 -13.676 -9.000 1.00 35.34 C ATOM 674 O LYS A 46 4.363 -12.724 -8.931 1.00 33.21 O ATOM 675 CB LYS A 46 1.358 -12.548 -9.163 1.00 42.24 C ATOM 676 CG LYS A 46 0.588 -13.088 -7.971 1.00 21.20 C ATOM 677 CD LYS A 46 0.650 -12.136 -6.789 1.00 2.51 C ATOM 678 CE LYS A 46 -0.721 -11.937 -6.160 1.00 64.23 C ATOM 679 NZ LYS A 46 -1.695 -11.357 -7.126 1.00 4.54 N ATOM 0 H LYS A 46 1.472 -15.326 -8.997 1.00 73.02 H new ATOM 0 HA LYS A 46 2.540 -13.250 -10.817 1.00 5.15 H new ATOM 0 HB2 LYS A 46 1.943 -11.685 -8.846 1.00 42.24 H new ATOM 0 HB3 LYS A 46 0.650 -12.195 -9.912 1.00 42.24 H new ATOM 0 HG2 LYS A 46 -0.452 -13.252 -8.253 1.00 21.20 H new ATOM 0 HG3 LYS A 46 0.996 -14.056 -7.681 1.00 21.20 H new ATOM 0 HD2 LYS A 46 1.341 -12.527 -6.042 1.00 2.51 H new ATOM 0 HD3 LYS A 46 1.045 -11.174 -7.116 1.00 2.51 H new ATOM 0 HE2 LYS A 46 -1.096 -12.894 -5.796 1.00 64.23 H new ATOM 0 HE3 LYS A 46 -0.632 -11.280 -5.295 1.00 64.23 H new ATOM 0 HZ1 LYS A 46 -2.404 -10.797 -6.610 1.00 4.54 H new ATOM 0 HZ2 LYS A 46 -1.193 -10.744 -7.800 1.00 4.54 H new ATOM 0 HZ3 LYS A 46 -2.170 -12.124 -7.643 1.00 4.54 H new ATOM 693 N THR A 47 3.808 -14.837 -8.391 1.00 74.22 N ATOM 694 CA THR A 47 5.004 -15.063 -7.591 1.00 3.15 C ATOM 695 C THR A 47 5.068 -14.097 -6.413 1.00 45.43 C ATOM 696 O THR A 47 5.335 -12.905 -6.571 1.00 50.01 O ATOM 697 CB THR A 47 6.283 -14.910 -8.436 1.00 31.12 C ATOM 698 OG1 THR A 47 5.948 -14.862 -9.827 1.00 75.21 O ATOM 699 CG2 THR A 47 7.242 -16.063 -8.180 1.00 10.35 C ATOM 0 H THR A 47 3.175 -15.635 -8.437 1.00 74.22 H new ATOM 0 HA THR A 47 4.945 -16.085 -7.217 1.00 3.15 H new ATOM 0 HB THR A 47 6.773 -13.980 -8.148 1.00 31.12 H new ATOM 0 HG1 THR A 47 6.766 -14.763 -10.357 1.00 75.21 H new ATOM 0 HG21 THR A 47 8.138 -15.933 -8.788 1.00 10.35 H new ATOM 0 HG22 THR A 47 7.518 -16.079 -7.126 1.00 10.35 H new ATOM 0 HG23 THR A 47 6.758 -17.004 -8.443 1.00 10.35 H new ATOM 707 N PRO A 48 4.820 -14.619 -5.203 1.00 74.34 N ATOM 708 CA PRO A 48 4.845 -13.819 -3.975 1.00 73.42 C ATOM 709 C PRO A 48 6.255 -13.375 -3.601 1.00 73.24 C ATOM 710 O PRO A 48 7.226 -13.738 -4.265 1.00 3.32 O ATOM 711 CB PRO A 48 4.287 -14.776 -2.918 1.00 4.33 C ATOM 712 CG PRO A 48 4.585 -16.137 -3.444 1.00 30.31 C ATOM 713 CD PRO A 48 4.495 -16.031 -4.941 1.00 61.51 C ATOM 0 HA PRO A 48 4.275 -12.896 -4.078 1.00 73.42 H new ATOM 0 HB2 PRO A 48 4.759 -14.614 -1.949 1.00 4.33 H new ATOM 0 HB3 PRO A 48 3.216 -14.631 -2.779 1.00 4.33 H new ATOM 0 HG2 PRO A 48 5.577 -16.466 -3.135 1.00 30.31 H new ATOM 0 HG3 PRO A 48 3.873 -16.868 -3.061 1.00 30.31 H new ATOM 0 HD2 PRO A 48 5.197 -16.703 -5.434 1.00 61.51 H new ATOM 0 HD3 PRO A 48 3.500 -16.288 -5.303 1.00 61.51 H new ATOM 721 N ASP A 49 6.359 -12.589 -2.536 1.00 21.14 N ATOM 722 CA ASP A 49 7.651 -12.097 -2.073 1.00 3.54 C ATOM 723 C ASP A 49 8.101 -12.843 -0.821 1.00 34.44 C ATOM 724 O ASP A 49 9.256 -12.746 -0.408 1.00 3.31 O ATOM 725 CB ASP A 49 7.576 -10.596 -1.787 1.00 4.20 C ATOM 726 CG ASP A 49 7.850 -9.757 -3.020 1.00 60.41 C ATOM 727 OD1 ASP A 49 8.772 -10.110 -3.785 1.00 61.23 O ATOM 728 OD2 ASP A 49 7.142 -8.749 -3.221 1.00 34.05 O ATOM 0 H ASP A 49 5.564 -12.279 -1.977 1.00 21.14 H new ATOM 0 HA ASP A 49 8.382 -12.274 -2.862 1.00 3.54 H new ATOM 0 HB2 ASP A 49 6.588 -10.352 -1.398 1.00 4.20 H new ATOM 0 HB3 ASP A 49 8.297 -10.341 -1.010 1.00 4.20 H new ATOM 733 N VAL A 50 7.179 -13.589 -0.219 1.00 54.24 N ATOM 734 CA VAL A 50 7.480 -14.352 0.986 1.00 75.43 C ATOM 735 C VAL A 50 6.269 -15.159 1.442 1.00 70.13 C ATOM 736 O VAL A 50 5.135 -14.681 1.388 1.00 32.45 O ATOM 737 CB VAL A 50 7.932 -13.432 2.135 1.00 71.11 C ATOM 738 CG1 VAL A 50 6.881 -12.368 2.413 1.00 73.51 C ATOM 739 CG2 VAL A 50 8.222 -14.247 3.387 1.00 50.35 C ATOM 0 H VAL A 50 6.217 -13.681 -0.547 1.00 54.24 H new ATOM 0 HA VAL A 50 8.293 -15.033 0.735 1.00 75.43 H new ATOM 0 HB VAL A 50 8.852 -12.930 1.835 1.00 71.11 H new ATOM 0 HG11 VAL A 50 7.218 -11.728 3.228 1.00 73.51 H new ATOM 0 HG12 VAL A 50 6.728 -11.765 1.518 1.00 73.51 H new ATOM 0 HG13 VAL A 50 5.943 -12.847 2.693 1.00 73.51 H new ATOM 0 HG21 VAL A 50 8.540 -13.581 4.189 1.00 50.35 H new ATOM 0 HG22 VAL A 50 7.320 -14.778 3.692 1.00 50.35 H new ATOM 0 HG23 VAL A 50 9.013 -14.967 3.177 1.00 50.35 H new ATOM 749 N LEU A 51 6.517 -16.385 1.891 1.00 53.55 N ATOM 750 CA LEU A 51 5.447 -17.259 2.357 1.00 34.33 C ATOM 751 C LEU A 51 5.574 -17.524 3.854 1.00 31.41 C ATOM 752 O LEU A 51 6.541 -17.103 4.490 1.00 21.30 O ATOM 753 CB LEU A 51 5.471 -18.582 1.590 1.00 61.13 C ATOM 754 CG LEU A 51 4.182 -18.957 0.857 1.00 2.02 C ATOM 755 CD1 LEU A 51 4.492 -19.465 -0.542 1.00 61.32 C ATOM 756 CD2 LEU A 51 3.405 -20.001 1.646 1.00 51.22 C ATOM 0 H LEU A 51 7.449 -16.796 1.942 1.00 53.55 H new ATOM 0 HA LEU A 51 4.497 -16.758 2.174 1.00 34.33 H new ATOM 0 HB2 LEU A 51 6.281 -18.542 0.862 1.00 61.13 H new ATOM 0 HB3 LEU A 51 5.712 -19.381 2.291 1.00 61.13 H new ATOM 0 HG LEU A 51 3.564 -18.064 0.768 1.00 2.02 H new ATOM 0 HD11 LEU A 51 3.563 -19.727 -1.048 1.00 61.32 H new ATOM 0 HD12 LEU A 51 5.006 -18.687 -1.106 1.00 61.32 H new ATOM 0 HD13 LEU A 51 5.130 -20.346 -0.476 1.00 61.32 H new ATOM 0 HD21 LEU A 51 2.491 -20.256 1.110 1.00 51.22 H new ATOM 0 HD22 LEU A 51 4.016 -20.895 1.767 1.00 51.22 H new ATOM 0 HD23 LEU A 51 3.150 -19.600 2.627 1.00 51.22 H new ATOM 768 N LEU A 52 4.593 -18.226 4.411 1.00 61.33 N ATOM 769 CA LEU A 52 4.596 -18.550 5.833 1.00 31.40 C ATOM 770 C LEU A 52 4.110 -19.977 6.068 1.00 55.15 C ATOM 771 O LEU A 52 3.069 -20.194 6.688 1.00 22.55 O ATOM 772 CB LEU A 52 3.714 -17.566 6.602 1.00 13.44 C ATOM 773 CG LEU A 52 4.044 -16.084 6.419 1.00 54.14 C ATOM 774 CD1 LEU A 52 2.769 -15.266 6.287 1.00 55.53 C ATOM 775 CD2 LEU A 52 4.887 -15.577 7.580 1.00 71.34 C ATOM 0 H LEU A 52 3.785 -18.582 3.899 1.00 61.33 H new ATOM 0 HA LEU A 52 5.621 -18.471 6.196 1.00 31.40 H new ATOM 0 HB2 LEU A 52 2.678 -17.727 6.302 1.00 13.44 H new ATOM 0 HB3 LEU A 52 3.779 -17.804 7.664 1.00 13.44 H new ATOM 0 HG LEU A 52 4.621 -15.971 5.501 1.00 54.14 H new ATOM 0 HD11 LEU A 52 3.023 -14.214 6.158 1.00 55.53 H new ATOM 0 HD12 LEU A 52 2.203 -15.612 5.422 1.00 55.53 H new ATOM 0 HD13 LEU A 52 2.165 -15.385 7.187 1.00 55.53 H new ATOM 0 HD21 LEU A 52 5.112 -14.521 7.432 1.00 71.34 H new ATOM 0 HD22 LEU A 52 4.336 -15.704 8.512 1.00 71.34 H new ATOM 0 HD23 LEU A 52 5.817 -16.143 7.628 1.00 71.34 H new ATOM 787 N SER A 53 4.870 -20.946 5.568 1.00 4.33 N ATOM 788 CA SER A 53 4.516 -22.352 5.722 1.00 42.10 C ATOM 789 C SER A 53 4.291 -22.698 7.191 1.00 50.13 C ATOM 790 O SER A 53 5.170 -22.497 8.029 1.00 13.31 O ATOM 791 CB SER A 53 5.615 -23.243 5.139 1.00 53.01 C ATOM 792 OG SER A 53 6.659 -23.444 6.076 1.00 72.34 O ATOM 0 H SER A 53 5.735 -20.783 5.053 1.00 4.33 H new ATOM 0 HA SER A 53 3.588 -22.529 5.179 1.00 42.10 H new ATOM 0 HB2 SER A 53 5.192 -24.205 4.849 1.00 53.01 H new ATOM 0 HB3 SER A 53 6.017 -22.786 4.235 1.00 53.01 H new ATOM 0 HG SER A 53 6.463 -22.945 6.896 1.00 72.34 H new ATOM 798 N ASP A 54 3.107 -23.219 7.494 1.00 25.51 N ATOM 799 CA ASP A 54 2.765 -23.595 8.861 1.00 62.20 C ATOM 800 C ASP A 54 3.209 -25.024 9.159 1.00 75.11 C ATOM 801 O ASP A 54 3.428 -25.388 10.315 1.00 41.13 O ATOM 802 CB ASP A 54 1.259 -23.457 9.089 1.00 61.34 C ATOM 803 CG ASP A 54 0.900 -22.187 9.835 1.00 62.25 C ATOM 804 OD1 ASP A 54 1.187 -22.110 11.048 1.00 43.13 O ATOM 805 OD2 ASP A 54 0.333 -21.270 9.205 1.00 21.11 O ATOM 0 H ASP A 54 2.368 -23.391 6.812 1.00 25.51 H new ATOM 0 HA ASP A 54 3.290 -22.922 9.539 1.00 62.20 H new ATOM 0 HB2 ASP A 54 0.747 -23.467 8.127 1.00 61.34 H new ATOM 0 HB3 ASP A 54 0.899 -24.319 9.651 1.00 61.34 H new ATOM 810 N ILE A 55 3.337 -25.829 8.110 1.00 72.22 N ATOM 811 CA ILE A 55 3.754 -27.218 8.260 1.00 53.14 C ATOM 812 C ILE A 55 2.877 -27.949 9.271 1.00 41.11 C ATOM 813 O ILE A 55 3.176 -27.971 10.465 1.00 15.31 O ATOM 814 CB ILE A 55 5.225 -27.319 8.704 1.00 33.32 C ATOM 815 CG1 ILE A 55 6.137 -26.636 7.683 1.00 30.14 C ATOM 816 CG2 ILE A 55 5.623 -28.776 8.888 1.00 64.04 C ATOM 817 CD1 ILE A 55 7.587 -26.580 8.111 1.00 12.42 C ATOM 0 H ILE A 55 3.158 -25.544 7.147 1.00 72.22 H new ATOM 0 HA ILE A 55 3.645 -27.688 7.282 1.00 53.14 H new ATOM 0 HB ILE A 55 5.337 -26.808 9.661 1.00 33.32 H new ATOM 0 HG12 ILE A 55 6.067 -27.166 6.733 1.00 30.14 H new ATOM 0 HG13 ILE A 55 5.778 -25.622 7.509 1.00 30.14 H new ATOM 0 HG21 ILE A 55 6.665 -28.832 9.202 1.00 64.04 H new ATOM 0 HG22 ILE A 55 4.990 -29.233 9.649 1.00 64.04 H new ATOM 0 HG23 ILE A 55 5.499 -29.309 7.945 1.00 64.04 H new ATOM 0 HD11 ILE A 55 8.175 -26.083 7.340 1.00 12.42 H new ATOM 0 HD12 ILE A 55 7.669 -26.024 9.045 1.00 12.42 H new ATOM 0 HD13 ILE A 55 7.963 -27.593 8.257 1.00 12.42 H new ATOM 920 N GLY A 62 5.916 -30.757 5.117 1.00 62.50 N ATOM 921 CA GLY A 62 6.001 -29.323 5.318 1.00 2.24 C ATOM 922 C GLY A 62 7.133 -28.693 4.532 1.00 44.04 C ATOM 923 O GLY A 62 6.909 -27.799 3.714 1.00 25.30 O ATOM 0 HA2 GLY A 62 5.058 -28.862 5.024 1.00 2.24 H new ATOM 0 HA3 GLY A 62 6.140 -29.116 6.379 1.00 2.24 H new ATOM 927 N LEU A 63 8.353 -29.157 4.779 1.00 62.33 N ATOM 928 CA LEU A 63 9.526 -28.632 4.088 1.00 22.52 C ATOM 929 C LEU A 63 9.693 -29.290 2.722 1.00 25.11 C ATOM 930 O LEU A 63 10.432 -28.796 1.871 1.00 55.35 O ATOM 931 CB LEU A 63 10.782 -28.857 4.932 1.00 1.22 C ATOM 932 CG LEU A 63 10.824 -30.153 5.742 1.00 61.44 C ATOM 933 CD1 LEU A 63 10.554 -31.351 4.845 1.00 74.52 C ATOM 934 CD2 LEU A 63 12.167 -30.302 6.442 1.00 11.51 C ATOM 0 H LEU A 63 8.556 -29.896 5.453 1.00 62.33 H new ATOM 0 HA LEU A 63 9.382 -27.562 3.940 1.00 22.52 H new ATOM 0 HB2 LEU A 63 11.648 -28.838 4.270 1.00 1.22 H new ATOM 0 HB3 LEU A 63 10.888 -28.018 5.620 1.00 1.22 H new ATOM 0 HG LEU A 63 10.044 -30.109 6.502 1.00 61.44 H new ATOM 0 HD11 LEU A 63 10.588 -32.265 5.438 1.00 74.52 H new ATOM 0 HD12 LEU A 63 9.569 -31.250 4.390 1.00 74.52 H new ATOM 0 HD13 LEU A 63 11.312 -31.398 4.063 1.00 74.52 H new ATOM 0 HD21 LEU A 63 12.178 -31.230 7.014 1.00 11.51 H new ATOM 0 HD22 LEU A 63 12.964 -30.324 5.699 1.00 11.51 H new ATOM 0 HD23 LEU A 63 12.322 -29.459 7.116 1.00 11.51 H new ATOM 946 N ALA A 64 9.001 -30.407 2.520 1.00 44.51 N ATOM 947 CA ALA A 64 9.070 -31.129 1.256 1.00 20.40 C ATOM 948 C ALA A 64 8.958 -30.176 0.071 1.00 1.23 C ATOM 949 O ALA A 64 9.800 -30.184 -0.827 1.00 64.34 O ATOM 950 CB ALA A 64 7.976 -32.185 1.192 1.00 50.24 C ATOM 0 H ALA A 64 8.387 -30.831 3.215 1.00 44.51 H new ATOM 0 HA ALA A 64 10.041 -31.622 1.200 1.00 20.40 H new ATOM 0 HB1 ALA A 64 8.039 -32.717 0.243 1.00 50.24 H new ATOM 0 HB2 ALA A 64 8.103 -32.891 2.013 1.00 50.24 H new ATOM 0 HB3 ALA A 64 7.001 -31.704 1.275 1.00 50.24 H new ATOM 956 N LEU A 65 7.914 -29.355 0.075 1.00 34.03 N ATOM 957 CA LEU A 65 7.691 -28.395 -1.000 1.00 40.22 C ATOM 958 C LEU A 65 8.593 -27.176 -0.837 1.00 10.41 C ATOM 959 O LEU A 65 8.889 -26.475 -1.806 1.00 11.44 O ATOM 960 CB LEU A 65 6.225 -27.959 -1.026 1.00 70.01 C ATOM 961 CG LEU A 65 5.902 -26.645 -0.313 1.00 25.52 C ATOM 962 CD1 LEU A 65 4.462 -26.234 -0.577 1.00 22.53 C ATOM 963 CD2 LEU A 65 6.157 -26.774 1.182 1.00 41.21 C ATOM 0 H LEU A 65 7.208 -29.335 0.811 1.00 34.03 H new ATOM 0 HA LEU A 65 7.935 -28.881 -1.944 1.00 40.22 H new ATOM 0 HB2 LEU A 65 5.911 -27.871 -2.066 1.00 70.01 H new ATOM 0 HB3 LEU A 65 5.624 -28.750 -0.577 1.00 70.01 H new ATOM 0 HG LEU A 65 6.557 -25.868 -0.708 1.00 25.52 H new ATOM 0 HD11 LEU A 65 4.251 -25.297 -0.062 1.00 22.53 H new ATOM 0 HD12 LEU A 65 4.312 -26.101 -1.648 1.00 22.53 H new ATOM 0 HD13 LEU A 65 3.789 -27.009 -0.210 1.00 22.53 H new ATOM 0 HD21 LEU A 65 5.922 -25.830 1.674 1.00 41.21 H new ATOM 0 HD22 LEU A 65 5.527 -27.563 1.592 1.00 41.21 H new ATOM 0 HD23 LEU A 65 7.205 -27.021 1.352 1.00 41.21 H new ATOM 975 N LEU A 66 9.029 -26.929 0.394 1.00 73.24 N ATOM 976 CA LEU A 66 9.900 -25.796 0.684 1.00 13.51 C ATOM 977 C LEU A 66 11.295 -26.020 0.111 1.00 42.14 C ATOM 978 O LEU A 66 12.040 -25.069 -0.131 1.00 34.44 O ATOM 979 CB LEU A 66 9.987 -25.568 2.194 1.00 20.13 C ATOM 980 CG LEU A 66 9.954 -24.111 2.657 1.00 45.04 C ATOM 981 CD1 LEU A 66 10.897 -23.263 1.817 1.00 63.33 C ATOM 982 CD2 LEU A 66 8.537 -23.562 2.589 1.00 0.50 C ATOM 0 H LEU A 66 8.793 -27.498 1.207 1.00 73.24 H new ATOM 0 HA LEU A 66 9.472 -24.911 0.213 1.00 13.51 H new ATOM 0 HB2 LEU A 66 9.161 -26.098 2.669 1.00 20.13 H new ATOM 0 HB3 LEU A 66 10.909 -26.023 2.557 1.00 20.13 H new ATOM 0 HG LEU A 66 10.288 -24.071 3.694 1.00 45.04 H new ATOM 0 HD11 LEU A 66 10.860 -22.229 2.161 1.00 63.33 H new ATOM 0 HD12 LEU A 66 11.914 -23.643 1.916 1.00 63.33 H new ATOM 0 HD13 LEU A 66 10.593 -23.309 0.771 1.00 63.33 H new ATOM 0 HD21 LEU A 66 8.533 -22.524 2.922 1.00 0.50 H new ATOM 0 HD22 LEU A 66 8.175 -23.615 1.562 1.00 0.50 H new ATOM 0 HD23 LEU A 66 7.887 -24.153 3.234 1.00 0.50 H new ATOM 994 N LYS A 67 11.643 -27.284 -0.108 1.00 2.52 N ATOM 995 CA LYS A 67 12.948 -27.634 -0.657 1.00 33.44 C ATOM 996 C LYS A 67 13.065 -27.186 -2.110 1.00 20.21 C ATOM 997 O LYS A 67 14.162 -26.918 -2.599 1.00 21.22 O ATOM 998 CB LYS A 67 13.176 -29.144 -0.557 1.00 62.35 C ATOM 999 CG LYS A 67 13.412 -29.632 0.862 1.00 40.05 C ATOM 1000 CD LYS A 67 14.719 -29.099 1.424 1.00 22.32 C ATOM 1001 CE LYS A 67 15.914 -29.596 0.624 1.00 32.14 C ATOM 1002 NZ LYS A 67 16.524 -28.511 -0.193 1.00 75.35 N ATOM 0 H LYS A 67 11.039 -28.083 0.086 1.00 2.52 H new ATOM 0 HA LYS A 67 13.711 -27.118 -0.074 1.00 33.44 H new ATOM 0 HB2 LYS A 67 12.311 -29.662 -0.971 1.00 62.35 H new ATOM 0 HB3 LYS A 67 14.034 -29.415 -1.173 1.00 62.35 H new ATOM 0 HG2 LYS A 67 12.585 -29.316 1.499 1.00 40.05 H new ATOM 0 HG3 LYS A 67 13.427 -30.722 0.875 1.00 40.05 H new ATOM 0 HD2 LYS A 67 14.702 -28.009 1.416 1.00 22.32 H new ATOM 0 HD3 LYS A 67 14.822 -29.408 2.464 1.00 22.32 H new ATOM 0 HE2 LYS A 67 16.662 -30.003 1.304 1.00 32.14 H new ATOM 0 HE3 LYS A 67 15.600 -30.410 -0.029 1.00 32.14 H new ATOM 0 HZ1 LYS A 67 17.335 -28.890 -0.723 1.00 75.35 H new ATOM 0 HZ2 LYS A 67 15.818 -28.139 -0.860 1.00 75.35 H new ATOM 0 HZ3 LYS A 67 16.846 -27.745 0.432 1.00 75.35 H new ATOM 1016 N GLN A 68 11.928 -27.106 -2.793 1.00 51.03 N ATOM 1017 CA GLN A 68 11.905 -26.689 -4.190 1.00 73.14 C ATOM 1018 C GLN A 68 11.840 -25.170 -4.304 1.00 54.41 C ATOM 1019 O GLN A 68 12.224 -24.597 -5.324 1.00 73.03 O ATOM 1020 CB GLN A 68 10.712 -27.318 -4.912 1.00 71.15 C ATOM 1021 CG GLN A 68 9.424 -26.523 -4.767 1.00 24.01 C ATOM 1022 CD GLN A 68 8.204 -27.410 -4.618 1.00 62.34 C ATOM 1023 OE1 GLN A 68 7.140 -26.863 -4.043 1.00 55.53 O flip ATOM 1024 NE2 GLN A 68 8.218 -28.576 -5.016 1.00 41.40 N flip ATOM 0 H GLN A 68 11.011 -27.324 -2.402 1.00 51.03 H new ATOM 0 HA GLN A 68 12.827 -27.031 -4.660 1.00 73.14 H new ATOM 0 HB2 GLN A 68 10.950 -27.418 -5.971 1.00 71.15 H new ATOM 0 HB3 GLN A 68 10.553 -28.325 -4.525 1.00 71.15 H new ATOM 0 HG2 GLN A 68 9.501 -25.869 -3.898 1.00 24.01 H new ATOM 0 HG3 GLN A 68 9.298 -25.881 -5.639 1.00 24.01 H new ATOM 0 HE21 GLN A 68 9.058 -28.956 -5.452 1.00 41.40 H new ATOM 0 HE22 GLN A 68 7.390 -29.161 -4.909 1.00 41.40 H new ATOM 1033 N ILE A 69 11.351 -24.523 -3.251 1.00 51.02 N ATOM 1034 CA ILE A 69 11.236 -23.070 -3.233 1.00 44.04 C ATOM 1035 C ILE A 69 12.610 -22.410 -3.294 1.00 14.44 C ATOM 1036 O ILE A 69 12.745 -21.272 -3.745 1.00 13.14 O ATOM 1037 CB ILE A 69 10.498 -22.579 -1.974 1.00 52.13 C ATOM 1038 CG1 ILE A 69 9.065 -23.116 -1.955 1.00 2.02 C ATOM 1039 CG2 ILE A 69 10.500 -21.059 -1.918 1.00 41.41 C ATOM 1040 CD1 ILE A 69 8.315 -22.789 -0.683 1.00 55.10 C ATOM 0 H ILE A 69 11.028 -24.982 -2.399 1.00 51.02 H new ATOM 0 HA ILE A 69 10.660 -22.788 -4.114 1.00 44.04 H new ATOM 0 HB ILE A 69 11.020 -22.956 -1.094 1.00 52.13 H new ATOM 0 HG12 ILE A 69 8.520 -22.705 -2.805 1.00 2.02 H new ATOM 0 HG13 ILE A 69 9.089 -24.198 -2.085 1.00 2.02 H new ATOM 0 HG21 ILE A 69 9.975 -20.727 -1.022 1.00 41.41 H new ATOM 0 HG22 ILE A 69 11.528 -20.697 -1.891 1.00 41.41 H new ATOM 0 HG23 ILE A 69 9.999 -20.662 -2.801 1.00 41.41 H new ATOM 0 HD11 ILE A 69 7.307 -23.200 -0.739 1.00 55.10 H new ATOM 0 HD12 ILE A 69 8.837 -23.224 0.169 1.00 55.10 H new ATOM 0 HD13 ILE A 69 8.259 -21.707 -0.561 1.00 55.10 H new ATOM 1052 N LYS A 70 13.628 -23.131 -2.837 1.00 74.45 N ATOM 1053 CA LYS A 70 14.992 -22.618 -2.842 1.00 24.34 C ATOM 1054 C LYS A 70 15.584 -22.657 -4.247 1.00 21.30 C ATOM 1055 O LYS A 70 16.451 -21.853 -4.587 1.00 52.41 O ATOM 1056 CB LYS A 70 15.868 -23.432 -1.885 1.00 52.35 C ATOM 1057 CG LYS A 70 16.186 -22.709 -0.588 1.00 42.43 C ATOM 1058 CD LYS A 70 15.336 -23.224 0.561 1.00 53.04 C ATOM 1059 CE LYS A 70 14.708 -22.082 1.345 1.00 32.22 C ATOM 1060 NZ LYS A 70 13.702 -21.340 0.536 1.00 73.42 N ATOM 0 H LYS A 70 13.534 -24.073 -2.458 1.00 74.45 H new ATOM 0 HA LYS A 70 14.964 -21.581 -2.508 1.00 24.34 H new ATOM 0 HB2 LYS A 70 15.364 -24.370 -1.654 1.00 52.35 H new ATOM 0 HB3 LYS A 70 16.801 -23.687 -2.388 1.00 52.35 H new ATOM 0 HG2 LYS A 70 17.241 -22.839 -0.348 1.00 42.43 H new ATOM 0 HG3 LYS A 70 16.017 -21.640 -0.716 1.00 42.43 H new ATOM 0 HD2 LYS A 70 14.552 -23.874 0.172 1.00 53.04 H new ATOM 0 HD3 LYS A 70 15.951 -23.829 1.227 1.00 53.04 H new ATOM 0 HE2 LYS A 70 14.232 -22.477 2.243 1.00 32.22 H new ATOM 0 HE3 LYS A 70 15.488 -21.395 1.673 1.00 32.22 H new ATOM 0 HZ1 LYS A 70 13.047 -20.840 1.170 1.00 73.42 H new ATOM 0 HZ2 LYS A 70 14.187 -20.651 -0.074 1.00 73.42 H new ATOM 0 HZ3 LYS A 70 13.169 -22.010 -0.054 1.00 73.42 H new ATOM 1074 N GLN A 71 15.109 -23.597 -5.058 1.00 50.33 N ATOM 1075 CA GLN A 71 15.591 -23.739 -6.427 1.00 4.30 C ATOM 1076 C GLN A 71 14.758 -22.897 -7.388 1.00 31.40 C ATOM 1077 O GLN A 71 15.299 -22.185 -8.234 1.00 12.11 O ATOM 1078 CB GLN A 71 15.555 -25.207 -6.853 1.00 62.32 C ATOM 1079 CG GLN A 71 16.888 -25.921 -6.691 1.00 52.35 C ATOM 1080 CD GLN A 71 17.110 -26.429 -5.281 1.00 4.24 C ATOM 1081 OE1 GLN A 71 18.126 -26.127 -4.653 1.00 13.23 O ATOM 1082 NE2 GLN A 71 16.160 -27.205 -4.774 1.00 33.02 N ATOM 0 H GLN A 71 14.391 -24.271 -4.791 1.00 50.33 H new ATOM 0 HA GLN A 71 16.621 -23.384 -6.461 1.00 4.30 H new ATOM 0 HB2 GLN A 71 14.799 -25.729 -6.266 1.00 62.32 H new ATOM 0 HB3 GLN A 71 15.245 -25.266 -7.896 1.00 62.32 H new ATOM 0 HG2 GLN A 71 16.934 -26.759 -7.386 1.00 52.35 H new ATOM 0 HG3 GLN A 71 17.696 -25.240 -6.959 1.00 52.35 H new ATOM 0 HE21 GLN A 71 15.335 -27.430 -5.330 1.00 33.02 H new ATOM 0 HE22 GLN A 71 16.255 -27.576 -3.829 1.00 33.02 H new ATOM 1091 N ARG A 72 13.439 -22.985 -7.252 1.00 72.31 N ATOM 1092 CA ARG A 72 12.531 -22.233 -8.110 1.00 34.34 C ATOM 1093 C ARG A 72 12.562 -20.747 -7.764 1.00 63.32 C ATOM 1094 O ARG A 72 12.434 -19.892 -8.641 1.00 73.43 O ATOM 1095 CB ARG A 72 11.104 -22.769 -7.972 1.00 64.44 C ATOM 1096 CG ARG A 72 10.804 -23.943 -8.891 1.00 11.25 C ATOM 1097 CD ARG A 72 9.334 -23.986 -9.276 1.00 74.21 C ATOM 1098 NE ARG A 72 9.019 -25.147 -10.104 1.00 71.05 N ATOM 1099 CZ ARG A 72 8.873 -26.376 -9.622 1.00 73.12 C ATOM 1100 NH1 ARG A 72 9.012 -26.603 -8.323 1.00 74.04 N ATOM 1101 NH2 ARG A 72 8.586 -27.381 -10.440 1.00 25.21 N ATOM 0 H ARG A 72 12.975 -23.569 -6.556 1.00 72.31 H new ATOM 0 HA ARG A 72 12.861 -22.356 -9.142 1.00 34.34 H new ATOM 0 HB2 ARG A 72 10.938 -23.075 -6.939 1.00 64.44 H new ATOM 0 HB3 ARG A 72 10.400 -21.964 -8.183 1.00 64.44 H new ATOM 0 HG2 ARG A 72 11.415 -23.868 -9.791 1.00 11.25 H new ATOM 0 HG3 ARG A 72 11.079 -24.874 -8.396 1.00 11.25 H new ATOM 0 HD2 ARG A 72 8.723 -24.008 -8.373 1.00 74.21 H new ATOM 0 HD3 ARG A 72 9.074 -23.075 -9.815 1.00 74.21 H new ATOM 0 HE ARG A 72 8.905 -25.006 -11.108 1.00 71.05 H new ATOM 0 HH11 ARG A 72 9.232 -25.833 -7.691 1.00 74.04 H new ATOM 0 HH12 ARG A 72 8.899 -27.548 -7.955 1.00 74.04 H new ATOM 0 HH21 ARG A 72 8.477 -27.210 -11.440 1.00 25.21 H new ATOM 0 HH22 ARG A 72 8.474 -28.325 -10.069 1.00 25.21 H new ATOM 1115 N HIS A 73 12.734 -20.447 -6.481 1.00 12.22 N ATOM 1116 CA HIS A 73 12.782 -19.064 -6.019 1.00 44.13 C ATOM 1117 C HIS A 73 13.846 -18.889 -4.940 1.00 2.52 C ATOM 1118 O HIS A 73 13.548 -18.802 -3.748 1.00 51.34 O ATOM 1119 CB HIS A 73 11.417 -18.636 -5.481 1.00 0.44 C ATOM 1120 CG HIS A 73 10.267 -19.127 -6.305 1.00 0.31 C ATOM 1121 ND1 HIS A 73 9.616 -18.341 -7.233 1.00 24.12 N ATOM 1122 CD2 HIS A 73 9.653 -20.332 -6.338 1.00 72.41 C ATOM 1123 CE1 HIS A 73 8.651 -19.042 -7.800 1.00 13.21 C ATOM 1124 NE2 HIS A 73 8.652 -20.254 -7.275 1.00 12.21 N ATOM 0 H HIS A 73 12.842 -21.142 -5.743 1.00 12.22 H new ATOM 0 HA HIS A 73 13.043 -18.432 -6.868 1.00 44.13 H new ATOM 0 HB2 HIS A 73 11.306 -19.005 -4.461 1.00 0.44 H new ATOM 0 HB3 HIS A 73 11.380 -17.548 -5.432 1.00 0.44 H new ATOM 0 HD1 HIS A 73 9.844 -17.370 -7.448 1.00 24.12 H new ATOM 0 HD2 HIS A 73 9.903 -21.195 -5.739 1.00 72.41 H new ATOM 0 HE1 HIS A 73 7.976 -18.685 -8.563 1.00 13.21 H new ATOM 1132 N PRO A 74 15.118 -18.836 -5.364 1.00 55.30 N ATOM 1133 CA PRO A 74 16.251 -18.671 -4.449 1.00 40.43 C ATOM 1134 C PRO A 74 16.297 -17.278 -3.829 1.00 23.41 C ATOM 1135 O PRO A 74 16.658 -17.120 -2.663 1.00 32.10 O ATOM 1136 CB PRO A 74 17.469 -18.896 -5.349 1.00 53.32 C ATOM 1137 CG PRO A 74 16.998 -18.544 -6.718 1.00 61.33 C ATOM 1138 CD PRO A 74 15.546 -18.933 -6.769 1.00 43.44 C ATOM 0 HA PRO A 74 16.196 -19.357 -3.604 1.00 40.43 H new ATOM 0 HB2 PRO A 74 18.307 -18.269 -5.045 1.00 53.32 H new ATOM 0 HB3 PRO A 74 17.811 -19.930 -5.301 1.00 53.32 H new ATOM 0 HG2 PRO A 74 17.124 -17.479 -6.912 1.00 61.33 H new ATOM 0 HG3 PRO A 74 17.572 -19.076 -7.477 1.00 61.33 H new ATOM 0 HD2 PRO A 74 14.973 -18.264 -7.411 1.00 43.44 H new ATOM 0 HD3 PRO A 74 15.414 -19.941 -7.161 1.00 43.44 H new ATOM 1146 N MET A 75 15.930 -16.272 -4.616 1.00 33.53 N ATOM 1147 CA MET A 75 15.928 -14.893 -4.142 1.00 31.32 C ATOM 1148 C MET A 75 14.637 -14.578 -3.392 1.00 45.32 C ATOM 1149 O MET A 75 14.422 -13.446 -2.956 1.00 72.01 O ATOM 1150 CB MET A 75 16.099 -13.928 -5.316 1.00 55.31 C ATOM 1151 CG MET A 75 16.695 -12.587 -4.919 1.00 31.11 C ATOM 1152 SD MET A 75 15.945 -11.205 -5.800 1.00 52.35 S ATOM 1153 CE MET A 75 14.336 -11.136 -5.016 1.00 71.03 C ATOM 0 H MET A 75 15.630 -16.386 -5.584 1.00 33.53 H new ATOM 0 HA MET A 75 16.765 -14.769 -3.455 1.00 31.32 H new ATOM 0 HB2 MET A 75 16.738 -14.392 -6.067 1.00 55.31 H new ATOM 0 HB3 MET A 75 15.128 -13.761 -5.783 1.00 55.31 H new ATOM 0 HG2 MET A 75 16.568 -12.441 -3.846 1.00 31.11 H new ATOM 0 HG3 MET A 75 17.767 -12.598 -5.114 1.00 31.11 H new ATOM 0 HE1 MET A 75 13.806 -10.245 -5.351 1.00 71.03 H new ATOM 0 HE2 MET A 75 13.762 -12.022 -5.285 1.00 71.03 H new ATOM 0 HE3 MET A 75 14.460 -11.099 -3.934 1.00 71.03 H new ATOM 1163 N LEU A 76 13.782 -15.584 -3.246 1.00 4.31 N ATOM 1164 CA LEU A 76 12.512 -15.413 -2.549 1.00 23.22 C ATOM 1165 C LEU A 76 12.634 -15.829 -1.086 1.00 51.52 C ATOM 1166 O LEU A 76 12.779 -17.007 -0.760 1.00 2.31 O ATOM 1167 CB LEU A 76 11.418 -16.233 -3.234 1.00 53.13 C ATOM 1168 CG LEU A 76 10.066 -16.276 -2.521 1.00 72.32 C ATOM 1169 CD1 LEU A 76 9.324 -14.961 -2.702 1.00 44.21 C ATOM 1170 CD2 LEU A 76 9.228 -17.438 -3.036 1.00 43.22 C ATOM 0 H LEU A 76 13.945 -16.526 -3.601 1.00 4.31 H new ATOM 0 HA LEU A 76 12.244 -14.357 -2.587 1.00 23.22 H new ATOM 0 HB2 LEU A 76 11.265 -15.832 -4.236 1.00 53.13 H new ATOM 0 HB3 LEU A 76 11.777 -17.255 -3.351 1.00 53.13 H new ATOM 0 HG LEU A 76 10.244 -16.425 -1.456 1.00 72.32 H new ATOM 0 HD11 LEU A 76 8.364 -15.011 -2.188 1.00 44.21 H new ATOM 0 HD12 LEU A 76 9.918 -14.148 -2.284 1.00 44.21 H new ATOM 0 HD13 LEU A 76 9.157 -14.780 -3.764 1.00 44.21 H new ATOM 0 HD21 LEU A 76 8.269 -17.453 -2.517 1.00 43.22 H new ATOM 0 HD22 LEU A 76 9.060 -17.319 -4.106 1.00 43.22 H new ATOM 0 HD23 LEU A 76 9.754 -18.375 -2.853 1.00 43.22 H new ATOM 1182 N PRO A 77 12.571 -14.839 -0.183 1.00 23.14 N ATOM 1183 CA PRO A 77 12.669 -15.078 1.260 1.00 4.44 C ATOM 1184 C PRO A 77 11.442 -15.794 1.814 1.00 4.45 C ATOM 1185 O PRO A 77 10.321 -15.297 1.709 1.00 50.20 O ATOM 1186 CB PRO A 77 12.776 -13.667 1.846 1.00 32.55 C ATOM 1187 CG PRO A 77 12.119 -12.788 0.839 1.00 21.11 C ATOM 1188 CD PRO A 77 12.399 -13.412 -0.500 1.00 42.42 C ATOM 0 HA PRO A 77 13.511 -15.724 1.510 1.00 4.44 H new ATOM 0 HB2 PRO A 77 12.278 -13.601 2.814 1.00 32.55 H new ATOM 0 HB3 PRO A 77 13.816 -13.381 2.003 1.00 32.55 H new ATOM 0 HG2 PRO A 77 11.047 -12.720 1.021 1.00 21.11 H new ATOM 0 HG3 PRO A 77 12.516 -11.774 0.888 1.00 21.11 H new ATOM 0 HD2 PRO A 77 11.577 -13.252 -1.198 1.00 42.42 H new ATOM 0 HD3 PRO A 77 13.294 -12.992 -0.960 1.00 42.42 H new ATOM 1196 N VAL A 78 11.662 -16.964 2.406 1.00 44.42 N ATOM 1197 CA VAL A 78 10.574 -17.747 2.978 1.00 24.42 C ATOM 1198 C VAL A 78 10.733 -17.887 4.488 1.00 13.11 C ATOM 1199 O VAL A 78 11.825 -17.704 5.027 1.00 14.12 O ATOM 1200 CB VAL A 78 10.502 -19.151 2.349 1.00 65.33 C ATOM 1201 CG1 VAL A 78 9.185 -19.827 2.698 1.00 1.44 C ATOM 1202 CG2 VAL A 78 10.685 -19.069 0.841 1.00 51.42 C ATOM 0 H VAL A 78 12.584 -17.390 2.502 1.00 44.42 H new ATOM 0 HA VAL A 78 9.650 -17.211 2.760 1.00 24.42 H new ATOM 0 HB VAL A 78 11.312 -19.755 2.759 1.00 65.33 H new ATOM 0 HG11 VAL A 78 9.153 -20.818 2.245 1.00 1.44 H new ATOM 0 HG12 VAL A 78 9.100 -19.921 3.781 1.00 1.44 H new ATOM 0 HG13 VAL A 78 8.357 -19.228 2.319 1.00 1.44 H new ATOM 0 HG21 VAL A 78 10.631 -20.070 0.413 1.00 51.42 H new ATOM 0 HG22 VAL A 78 9.898 -18.448 0.412 1.00 51.42 H new ATOM 0 HG23 VAL A 78 11.657 -18.630 0.616 1.00 51.42 H new ATOM 1212 N ILE A 79 9.637 -18.212 5.165 1.00 74.42 N ATOM 1213 CA ILE A 79 9.654 -18.378 6.613 1.00 64.12 C ATOM 1214 C ILE A 79 8.971 -19.677 7.026 1.00 71.21 C ATOM 1215 O ILE A 79 7.899 -20.014 6.522 1.00 13.52 O ATOM 1216 CB ILE A 79 8.963 -17.199 7.323 1.00 61.21 C ATOM 1217 CG1 ILE A 79 9.468 -15.869 6.759 1.00 35.21 C ATOM 1218 CG2 ILE A 79 9.204 -17.270 8.823 1.00 12.05 C ATOM 1219 CD1 ILE A 79 8.744 -14.663 7.316 1.00 31.43 C ATOM 0 H ILE A 79 8.726 -18.366 4.734 1.00 74.42 H new ATOM 0 HA ILE A 79 10.701 -18.410 6.914 1.00 64.12 H new ATOM 0 HB ILE A 79 7.890 -17.264 7.144 1.00 61.21 H new ATOM 0 HG12 ILE A 79 10.533 -15.774 6.972 1.00 35.21 H new ATOM 0 HG13 ILE A 79 9.360 -15.879 5.674 1.00 35.21 H new ATOM 0 HG21 ILE A 79 8.710 -16.430 9.311 1.00 12.05 H new ATOM 0 HG22 ILE A 79 8.801 -18.205 9.212 1.00 12.05 H new ATOM 0 HG23 ILE A 79 10.275 -17.226 9.022 1.00 12.05 H new ATOM 0 HD11 ILE A 79 9.154 -13.756 6.872 1.00 31.43 H new ATOM 0 HD12 ILE A 79 7.682 -14.735 7.080 1.00 31.43 H new ATOM 0 HD13 ILE A 79 8.874 -14.628 8.398 1.00 31.43 H new ATOM 1231 N ILE A 80 9.597 -20.402 7.946 1.00 24.14 N ATOM 1232 CA ILE A 80 9.048 -21.663 8.429 1.00 11.25 C ATOM 1233 C ILE A 80 8.373 -21.485 9.785 1.00 3.24 C ATOM 1234 O ILE A 80 8.874 -20.766 10.650 1.00 63.05 O ATOM 1235 CB ILE A 80 10.139 -22.743 8.549 1.00 31.33 C ATOM 1236 CG1 ILE A 80 10.555 -23.235 7.161 1.00 33.35 C ATOM 1237 CG2 ILE A 80 9.645 -23.902 9.402 1.00 21.32 C ATOM 1238 CD1 ILE A 80 9.594 -24.239 6.563 1.00 11.22 C ATOM 0 H ILE A 80 10.485 -20.138 8.372 1.00 24.14 H new ATOM 0 HA ILE A 80 8.308 -21.986 7.697 1.00 11.25 H new ATOM 0 HB ILE A 80 11.011 -22.306 9.035 1.00 31.33 H new ATOM 0 HG12 ILE A 80 10.638 -22.379 6.491 1.00 33.35 H new ATOM 0 HG13 ILE A 80 11.545 -23.686 7.226 1.00 33.35 H new ATOM 0 HG21 ILE A 80 10.427 -24.657 9.478 1.00 21.32 H new ATOM 0 HG22 ILE A 80 9.394 -23.539 10.399 1.00 21.32 H new ATOM 0 HG23 ILE A 80 8.760 -24.341 8.942 1.00 21.32 H new ATOM 0 HD11 ILE A 80 9.952 -24.544 5.580 1.00 11.22 H new ATOM 0 HD12 ILE A 80 9.529 -25.112 7.212 1.00 11.22 H new ATOM 0 HD13 ILE A 80 8.608 -23.785 6.466 1.00 11.22 H new ATOM 1250 N MET A 81 7.235 -22.146 9.965 1.00 74.11 N ATOM 1251 CA MET A 81 6.493 -22.063 11.218 1.00 75.24 C ATOM 1252 C MET A 81 6.184 -23.455 11.760 1.00 73.24 C ATOM 1253 O MET A 81 5.630 -24.299 11.054 1.00 21.20 O ATOM 1254 CB MET A 81 5.193 -21.282 11.015 1.00 73.25 C ATOM 1255 CG MET A 81 5.339 -19.788 11.250 1.00 14.33 C ATOM 1256 SD MET A 81 4.224 -18.810 10.223 1.00 24.53 S ATOM 1257 CE MET A 81 2.699 -19.731 10.408 1.00 61.24 C ATOM 0 H MET A 81 6.806 -22.745 9.260 1.00 74.11 H new ATOM 0 HA MET A 81 7.114 -21.539 11.945 1.00 75.24 H new ATOM 0 HB2 MET A 81 4.834 -21.448 9.999 1.00 73.25 H new ATOM 0 HB3 MET A 81 4.433 -21.675 11.690 1.00 73.25 H new ATOM 0 HG2 MET A 81 5.145 -19.569 12.300 1.00 14.33 H new ATOM 0 HG3 MET A 81 6.368 -19.491 11.047 1.00 14.33 H new ATOM 0 HE1 MET A 81 2.495 -20.286 9.492 1.00 61.24 H new ATOM 0 HE2 MET A 81 2.794 -20.428 11.241 1.00 61.24 H new ATOM 0 HE3 MET A 81 1.879 -19.041 10.604 1.00 61.24 H new ATOM 1267 N THR A 82 6.545 -23.689 13.017 1.00 22.54 N ATOM 1268 CA THR A 82 6.308 -24.979 13.653 1.00 21.31 C ATOM 1269 C THR A 82 6.886 -25.012 15.063 1.00 12.44 C ATOM 1270 O THR A 82 6.152 -25.148 16.042 1.00 61.21 O ATOM 1271 CB THR A 82 6.920 -26.131 12.833 1.00 3.33 C ATOM 1272 OG1 THR A 82 7.050 -27.299 13.651 1.00 70.22 O ATOM 1273 CG2 THR A 82 8.282 -25.738 12.282 1.00 44.32 C ATOM 0 H THR A 82 7.003 -23.002 13.616 1.00 22.54 H new ATOM 0 HA THR A 82 5.227 -25.112 13.703 1.00 21.31 H new ATOM 0 HB THR A 82 6.255 -26.346 11.996 1.00 3.33 H new ATOM 0 HG1 THR A 82 6.525 -28.030 13.263 1.00 70.22 H new ATOM 0 HG21 THR A 82 8.695 -26.567 11.707 1.00 44.32 H new ATOM 0 HG22 THR A 82 8.176 -24.866 11.637 1.00 44.32 H new ATOM 0 HG23 THR A 82 8.953 -25.499 13.107 1.00 44.32 H new ATOM 1281 N ALA A 83 8.205 -24.884 15.160 1.00 21.45 N ATOM 1282 CA ALA A 83 8.881 -24.896 16.452 1.00 72.30 C ATOM 1283 C ALA A 83 8.995 -26.315 16.999 1.00 62.34 C ATOM 1284 O ALA A 83 10.096 -26.813 17.236 1.00 3.25 O ATOM 1285 CB ALA A 83 8.144 -24.005 17.441 1.00 21.42 C ATOM 0 H ALA A 83 8.827 -24.771 14.360 1.00 21.45 H new ATOM 0 HA ALA A 83 9.889 -24.507 16.310 1.00 72.30 H new ATOM 0 HB1 ALA A 83 8.659 -24.023 18.401 1.00 21.42 H new ATOM 0 HB2 ALA A 83 8.119 -22.983 17.062 1.00 21.42 H new ATOM 0 HB3 ALA A 83 7.125 -24.369 17.569 1.00 21.42 H new ATOM 1291 N HIS A 84 7.851 -26.962 17.197 1.00 61.44 N ATOM 1292 CA HIS A 84 7.823 -28.325 17.716 1.00 65.22 C ATOM 1293 C HIS A 84 8.077 -29.336 16.602 1.00 74.34 C ATOM 1294 O HIS A 84 7.468 -29.264 15.534 1.00 13.23 O ATOM 1295 CB HIS A 84 6.479 -28.612 18.384 1.00 14.44 C ATOM 1296 CG HIS A 84 5.349 -28.768 17.414 1.00 74.41 C ATOM 1297 ND1 HIS A 84 5.017 -28.047 16.317 1.00 24.24 N flip ATOM 1298 CD2 HIS A 84 4.400 -29.764 17.517 1.00 33.55 C flip ATOM 1299 CE1 HIS A 84 3.887 -28.616 15.783 1.00 63.14 C flip ATOM 1300 NE2 HIS A 84 3.535 -29.650 16.526 1.00 15.32 N flip ATOM 0 H HIS A 84 6.931 -26.565 17.006 1.00 61.44 H new ATOM 0 HA HIS A 84 8.616 -28.421 18.458 1.00 65.22 H new ATOM 0 HB2 HIS A 84 6.565 -29.522 18.978 1.00 14.44 H new ATOM 0 HB3 HIS A 84 6.245 -27.801 19.074 1.00 14.44 H new ATOM 0 HD1 HIS A 84 5.514 -27.233 15.955 1.00 24.24 H new ATOM 0 HD2 HIS A 84 4.369 -30.519 18.288 1.00 33.55 H new ATOM 0 HE1 HIS A 84 3.370 -28.274 14.899 1.00 63.14 H new ATOM 1308 N SER A 85 8.979 -30.278 16.857 1.00 4.33 N ATOM 1309 CA SER A 85 9.317 -31.301 15.874 1.00 15.32 C ATOM 1310 C SER A 85 9.432 -30.696 14.478 1.00 13.34 C ATOM 1311 O SER A 85 8.508 -30.791 13.670 1.00 14.24 O ATOM 1312 CB SER A 85 8.261 -32.408 15.877 1.00 70.10 C ATOM 1313 OG SER A 85 8.484 -33.323 16.936 1.00 11.54 O ATOM 0 H SER A 85 9.489 -30.354 17.737 1.00 4.33 H new ATOM 0 HA SER A 85 10.282 -31.728 16.146 1.00 15.32 H new ATOM 0 HB2 SER A 85 7.269 -31.968 15.975 1.00 70.10 H new ATOM 0 HB3 SER A 85 8.282 -32.937 14.924 1.00 70.10 H new ATOM 0 HG SER A 85 7.795 -34.020 16.917 1.00 11.54 H new ATOM 1319 N ASP A 86 10.573 -30.074 14.203 1.00 55.44 N ATOM 1320 CA ASP A 86 10.811 -29.453 12.904 1.00 32.35 C ATOM 1321 C ASP A 86 12.075 -28.600 12.934 1.00 51.12 C ATOM 1322 O ASP A 86 12.971 -28.770 12.106 1.00 52.43 O ATOM 1323 CB ASP A 86 9.611 -28.596 12.497 1.00 62.40 C ATOM 1324 CG ASP A 86 8.793 -29.234 11.391 1.00 44.31 C ATOM 1325 OD1 ASP A 86 9.397 -29.835 10.478 1.00 23.24 O ATOM 1326 OD2 ASP A 86 7.550 -29.130 11.437 1.00 35.33 O ATOM 0 H ASP A 86 11.347 -29.986 14.861 1.00 55.44 H new ATOM 0 HA ASP A 86 10.947 -30.246 12.168 1.00 32.35 H new ATOM 0 HB2 ASP A 86 8.975 -28.431 13.366 1.00 62.40 H new ATOM 0 HB3 ASP A 86 9.962 -27.618 12.168 1.00 62.40 H new ATOM 1331 N LEU A 87 12.140 -27.682 13.891 1.00 3.45 N ATOM 1332 CA LEU A 87 13.294 -26.800 14.029 1.00 65.04 C ATOM 1333 C LEU A 87 14.595 -27.597 14.003 1.00 33.21 C ATOM 1334 O LEU A 87 15.557 -27.214 13.337 1.00 13.45 O ATOM 1335 CB LEU A 87 13.199 -26.000 15.329 1.00 34.31 C ATOM 1336 CG LEU A 87 12.681 -24.567 15.199 1.00 31.43 C ATOM 1337 CD1 LEU A 87 11.455 -24.522 14.301 1.00 74.31 C ATOM 1338 CD2 LEU A 87 12.361 -23.990 16.570 1.00 4.43 C ATOM 0 H LEU A 87 11.407 -27.528 14.584 1.00 3.45 H new ATOM 0 HA LEU A 87 13.295 -26.110 13.185 1.00 65.04 H new ATOM 0 HB2 LEU A 87 12.548 -26.539 16.017 1.00 34.31 H new ATOM 0 HB3 LEU A 87 14.188 -25.967 15.785 1.00 34.31 H new ATOM 0 HG LEU A 87 13.462 -23.958 14.743 1.00 31.43 H new ATOM 0 HD11 LEU A 87 11.101 -23.494 14.220 1.00 74.31 H new ATOM 0 HD12 LEU A 87 11.716 -24.895 13.310 1.00 74.31 H new ATOM 0 HD13 LEU A 87 10.669 -25.145 14.728 1.00 74.31 H new ATOM 0 HD21 LEU A 87 11.994 -22.970 16.459 1.00 4.43 H new ATOM 0 HD22 LEU A 87 11.597 -24.600 17.052 1.00 4.43 H new ATOM 0 HD23 LEU A 87 13.263 -23.986 17.183 1.00 4.43 H new ATOM 1350 N ASP A 88 14.615 -28.709 14.730 1.00 2.32 N ATOM 1351 CA ASP A 88 15.796 -29.562 14.789 1.00 61.44 C ATOM 1352 C ASP A 88 16.387 -29.769 13.397 1.00 11.33 C ATOM 1353 O ASP A 88 17.602 -29.701 13.212 1.00 74.31 O ATOM 1354 CB ASP A 88 15.444 -30.914 15.412 1.00 3.13 C ATOM 1355 CG ASP A 88 15.986 -31.060 16.821 1.00 65.35 C ATOM 1356 OD1 ASP A 88 17.204 -31.294 16.966 1.00 64.35 O ATOM 1357 OD2 ASP A 88 15.193 -30.942 17.778 1.00 53.24 O ATOM 0 H ASP A 88 13.827 -29.040 15.286 1.00 2.32 H new ATOM 0 HA ASP A 88 16.541 -29.066 15.411 1.00 61.44 H new ATOM 0 HB2 ASP A 88 14.361 -31.032 15.428 1.00 3.13 H new ATOM 0 HB3 ASP A 88 15.843 -31.714 14.788 1.00 3.13 H new ATOM 1362 N ALA A 89 15.519 -30.021 12.423 1.00 21.30 N ATOM 1363 CA ALA A 89 15.955 -30.237 11.049 1.00 53.52 C ATOM 1364 C ALA A 89 16.040 -28.918 10.287 1.00 23.21 C ATOM 1365 O ALA A 89 17.037 -28.638 9.622 1.00 22.41 O ATOM 1366 CB ALA A 89 15.011 -31.197 10.340 1.00 23.34 C ATOM 0 H ALA A 89 14.510 -30.081 12.560 1.00 21.30 H new ATOM 0 HA ALA A 89 16.952 -30.678 11.075 1.00 53.52 H new ATOM 0 HB1 ALA A 89 15.349 -31.349 9.315 1.00 23.34 H new ATOM 0 HB2 ALA A 89 15.002 -32.152 10.865 1.00 23.34 H new ATOM 0 HB3 ALA A 89 14.005 -30.778 10.332 1.00 23.34 H new ATOM 1372 N ALA A 90 14.989 -28.112 10.389 1.00 75.24 N ATOM 1373 CA ALA A 90 14.946 -26.823 9.710 1.00 11.21 C ATOM 1374 C ALA A 90 16.216 -26.022 9.974 1.00 43.42 C ATOM 1375 O ALA A 90 16.668 -25.256 9.122 1.00 72.33 O ATOM 1376 CB ALA A 90 13.721 -26.035 10.151 1.00 5.31 C ATOM 0 H ALA A 90 14.156 -28.329 10.936 1.00 75.24 H new ATOM 0 HA ALA A 90 14.879 -27.006 8.638 1.00 11.21 H new ATOM 0 HB1 ALA A 90 13.701 -25.074 9.636 1.00 5.31 H new ATOM 0 HB2 ALA A 90 12.820 -26.597 9.906 1.00 5.31 H new ATOM 0 HB3 ALA A 90 13.763 -25.869 11.227 1.00 5.31 H new ATOM 1382 N VAL A 91 16.789 -26.202 11.160 1.00 53.21 N ATOM 1383 CA VAL A 91 18.008 -25.496 11.536 1.00 53.33 C ATOM 1384 C VAL A 91 19.070 -25.617 10.449 1.00 1.21 C ATOM 1385 O VAL A 91 19.509 -24.617 9.882 1.00 45.41 O ATOM 1386 CB VAL A 91 18.581 -26.032 12.861 1.00 41.11 C ATOM 1387 CG1 VAL A 91 20.021 -25.578 13.042 1.00 5.12 C ATOM 1388 CG2 VAL A 91 17.721 -25.584 14.033 1.00 72.31 C ATOM 0 H VAL A 91 16.428 -26.831 11.877 1.00 53.21 H new ATOM 0 HA VAL A 91 17.740 -24.447 11.663 1.00 53.33 H new ATOM 0 HB VAL A 91 18.570 -27.121 12.827 1.00 41.11 H new ATOM 0 HG11 VAL A 91 20.409 -25.966 13.984 1.00 5.12 H new ATOM 0 HG12 VAL A 91 20.627 -25.953 12.217 1.00 5.12 H new ATOM 0 HG13 VAL A 91 20.060 -24.489 13.055 1.00 5.12 H new ATOM 0 HG21 VAL A 91 18.141 -25.972 14.961 1.00 72.31 H new ATOM 0 HG22 VAL A 91 17.698 -24.495 14.072 1.00 72.31 H new ATOM 0 HG23 VAL A 91 16.707 -25.964 13.907 1.00 72.31 H new ATOM 1398 N SER A 92 19.479 -26.849 10.163 1.00 12.13 N ATOM 1399 CA SER A 92 20.493 -27.101 9.146 1.00 32.43 C ATOM 1400 C SER A 92 19.861 -27.191 7.760 1.00 25.02 C ATOM 1401 O SER A 92 20.389 -26.648 6.790 1.00 73.32 O ATOM 1402 CB SER A 92 21.249 -28.394 9.459 1.00 33.14 C ATOM 1403 OG SER A 92 21.925 -28.880 8.313 1.00 44.41 O ATOM 0 H SER A 92 19.124 -27.688 10.621 1.00 12.13 H new ATOM 0 HA SER A 92 21.195 -26.267 9.153 1.00 32.43 H new ATOM 0 HB2 SER A 92 21.967 -28.215 10.259 1.00 33.14 H new ATOM 0 HB3 SER A 92 20.551 -29.149 9.820 1.00 33.14 H new ATOM 0 HG SER A 92 22.401 -29.706 8.540 1.00 44.41 H new ATOM 1409 N ALA A 93 18.728 -27.881 7.677 1.00 44.54 N ATOM 1410 CA ALA A 93 18.023 -28.040 6.411 1.00 21.40 C ATOM 1411 C ALA A 93 17.637 -26.687 5.823 1.00 61.41 C ATOM 1412 O ALA A 93 18.093 -26.317 4.741 1.00 44.00 O ATOM 1413 CB ALA A 93 16.787 -28.907 6.601 1.00 23.34 C ATOM 0 H ALA A 93 18.279 -28.338 8.471 1.00 44.54 H new ATOM 0 HA ALA A 93 18.695 -28.533 5.709 1.00 21.40 H new ATOM 0 HB1 ALA A 93 16.270 -29.017 5.648 1.00 23.34 H new ATOM 0 HB2 ALA A 93 17.084 -29.889 6.968 1.00 23.34 H new ATOM 0 HB3 ALA A 93 16.120 -28.436 7.323 1.00 23.34 H new ATOM 1419 N TYR A 94 16.794 -25.954 6.541 1.00 21.34 N ATOM 1420 CA TYR A 94 16.344 -24.643 6.089 1.00 62.32 C ATOM 1421 C TYR A 94 17.530 -23.715 5.844 1.00 11.24 C ATOM 1422 O TYR A 94 17.417 -22.725 5.123 1.00 44.54 O ATOM 1423 CB TYR A 94 15.399 -24.022 7.118 1.00 2.34 C ATOM 1424 CG TYR A 94 14.416 -23.040 6.523 1.00 53.25 C ATOM 1425 CD1 TYR A 94 13.733 -23.335 5.349 1.00 22.31 C ATOM 1426 CD2 TYR A 94 14.168 -21.817 7.134 1.00 45.20 C ATOM 1427 CE1 TYR A 94 12.835 -22.441 4.801 1.00 55.21 C ATOM 1428 CE2 TYR A 94 13.270 -20.917 6.594 1.00 43.23 C ATOM 1429 CZ TYR A 94 12.606 -21.233 5.427 1.00 63.11 C ATOM 1430 OH TYR A 94 11.711 -20.340 4.885 1.00 52.03 O ATOM 0 H TYR A 94 16.408 -26.246 7.439 1.00 21.34 H new ATOM 0 HA TYR A 94 15.809 -24.775 5.149 1.00 62.32 H new ATOM 0 HB2 TYR A 94 14.847 -24.818 7.618 1.00 2.34 H new ATOM 0 HB3 TYR A 94 15.989 -23.515 7.881 1.00 2.34 H new ATOM 0 HD1 TYR A 94 13.908 -24.280 4.857 1.00 22.31 H new ATOM 0 HD2 TYR A 94 14.687 -21.566 8.047 1.00 45.20 H new ATOM 0 HE1 TYR A 94 12.314 -22.686 3.887 1.00 55.21 H new ATOM 0 HE2 TYR A 94 13.089 -19.971 7.083 1.00 43.23 H new ATOM 0 HH TYR A 94 12.145 -19.468 4.774 1.00 52.03 H new ATOM 1440 N GLN A 95 18.666 -24.044 6.451 1.00 13.03 N ATOM 1441 CA GLN A 95 19.873 -23.240 6.300 1.00 32.22 C ATOM 1442 C GLN A 95 20.444 -23.376 4.893 1.00 43.43 C ATOM 1443 O GLN A 95 21.491 -22.808 4.581 1.00 14.30 O ATOM 1444 CB GLN A 95 20.922 -23.658 7.332 1.00 71.41 C ATOM 1445 CG GLN A 95 21.053 -22.688 8.494 1.00 13.44 C ATOM 1446 CD GLN A 95 21.877 -21.465 8.143 1.00 12.54 C ATOM 1447 OE1 GLN A 95 23.024 -21.578 7.712 1.00 44.15 O ATOM 1448 NE2 GLN A 95 21.295 -20.285 8.327 1.00 34.33 N ATOM 0 H GLN A 95 18.776 -24.861 7.052 1.00 13.03 H new ATOM 0 HA GLN A 95 19.607 -22.196 6.465 1.00 32.22 H new ATOM 0 HB2 GLN A 95 20.665 -24.644 7.720 1.00 71.41 H new ATOM 0 HB3 GLN A 95 21.889 -23.752 6.837 1.00 71.41 H new ATOM 0 HG2 GLN A 95 20.060 -22.373 8.813 1.00 13.44 H new ATOM 0 HG3 GLN A 95 21.512 -23.200 9.340 1.00 13.44 H new ATOM 0 HE21 GLN A 95 20.342 -20.237 8.687 1.00 34.33 H new ATOM 0 HE22 GLN A 95 21.801 -19.427 8.109 1.00 34.33 H new ATOM 1457 N GLN A 96 19.751 -24.132 4.048 1.00 55.51 N ATOM 1458 CA GLN A 96 20.191 -24.342 2.674 1.00 54.12 C ATOM 1459 C GLN A 96 19.947 -23.097 1.827 1.00 11.24 C ATOM 1460 O GLN A 96 19.764 -23.185 0.614 1.00 44.30 O ATOM 1461 CB GLN A 96 19.464 -25.540 2.061 1.00 74.02 C ATOM 1462 CG GLN A 96 20.030 -26.882 2.495 1.00 35.42 C ATOM 1463 CD GLN A 96 21.093 -27.401 1.548 1.00 25.20 C ATOM 1464 OE1 GLN A 96 21.079 -27.099 0.355 1.00 44.35 O ATOM 1465 NE2 GLN A 96 22.024 -28.187 2.076 1.00 22.42 N ATOM 0 H GLN A 96 18.883 -24.609 4.291 1.00 55.51 H new ATOM 0 HA GLN A 96 21.262 -24.544 2.690 1.00 54.12 H new ATOM 0 HB2 GLN A 96 18.410 -25.494 2.335 1.00 74.02 H new ATOM 0 HB3 GLN A 96 19.514 -25.468 0.975 1.00 74.02 H new ATOM 0 HG2 GLN A 96 20.454 -26.787 3.494 1.00 35.42 H new ATOM 0 HG3 GLN A 96 19.221 -27.609 2.560 1.00 35.42 H new ATOM 0 HE21 GLN A 96 21.998 -28.412 3.071 1.00 22.42 H new ATOM 0 HE22 GLN A 96 22.766 -28.566 1.487 1.00 22.42 H new ATOM 1474 N GLY A 97 19.945 -21.937 2.477 1.00 52.50 N ATOM 1475 CA GLY A 97 19.722 -20.690 1.768 1.00 11.01 C ATOM 1476 C GLY A 97 18.362 -20.090 2.064 1.00 13.01 C ATOM 1477 O GLY A 97 17.749 -19.466 1.198 1.00 4.01 O ATOM 0 H GLY A 97 20.094 -21.838 3.481 1.00 52.50 H new ATOM 0 HA2 GLY A 97 20.498 -19.976 2.042 1.00 11.01 H new ATOM 0 HA3 GLY A 97 19.813 -20.864 0.696 1.00 11.01 H new ATOM 1481 N ALA A 98 17.887 -20.280 3.291 1.00 70.43 N ATOM 1482 CA ALA A 98 16.591 -19.753 3.699 1.00 52.05 C ATOM 1483 C ALA A 98 16.749 -18.661 4.751 1.00 51.42 C ATOM 1484 O ALA A 98 17.811 -18.517 5.356 1.00 22.34 O ATOM 1485 CB ALA A 98 15.708 -20.874 4.227 1.00 54.40 C ATOM 0 H ALA A 98 18.381 -20.795 4.020 1.00 70.43 H new ATOM 0 HA ALA A 98 16.114 -19.311 2.824 1.00 52.05 H new ATOM 0 HB1 ALA A 98 14.743 -20.466 4.528 1.00 54.40 H new ATOM 0 HB2 ALA A 98 15.559 -21.619 3.445 1.00 54.40 H new ATOM 0 HB3 ALA A 98 16.188 -21.341 5.087 1.00 54.40 H new ATOM 1491 N PHE A 99 15.686 -17.892 4.963 1.00 0.21 N ATOM 1492 CA PHE A 99 15.708 -16.811 5.941 1.00 12.45 C ATOM 1493 C PHE A 99 15.263 -17.309 7.313 1.00 21.43 C ATOM 1494 O PHE A 99 14.475 -18.250 7.418 1.00 3.44 O ATOM 1495 CB PHE A 99 14.804 -15.664 5.486 1.00 55.44 C ATOM 1496 CG PHE A 99 14.420 -14.725 6.594 1.00 24.42 C ATOM 1497 CD1 PHE A 99 15.293 -13.735 7.014 1.00 42.41 C ATOM 1498 CD2 PHE A 99 13.187 -14.835 7.217 1.00 5.21 C ATOM 1499 CE1 PHE A 99 14.944 -12.869 8.034 1.00 74.44 C ATOM 1500 CE2 PHE A 99 12.832 -13.972 8.237 1.00 62.32 C ATOM 1501 CZ PHE A 99 13.712 -12.989 8.646 1.00 32.25 C ATOM 0 H PHE A 99 14.799 -17.998 4.471 1.00 0.21 H new ATOM 0 HA PHE A 99 16.733 -16.448 6.020 1.00 12.45 H new ATOM 0 HB2 PHE A 99 15.312 -15.101 4.703 1.00 55.44 H new ATOM 0 HB3 PHE A 99 13.899 -16.080 5.043 1.00 55.44 H new ATOM 0 HD1 PHE A 99 16.258 -13.638 6.539 1.00 42.41 H new ATOM 0 HD2 PHE A 99 12.496 -15.603 6.902 1.00 5.21 H new ATOM 0 HE1 PHE A 99 15.633 -12.101 8.351 1.00 74.44 H new ATOM 0 HE2 PHE A 99 11.867 -14.066 8.714 1.00 62.32 H new ATOM 0 HZ PHE A 99 13.437 -12.315 9.444 1.00 32.25 H new ATOM 1511 N ASP A 100 15.774 -16.673 8.361 1.00 22.35 N ATOM 1512 CA ASP A 100 15.430 -17.051 9.727 1.00 3.04 C ATOM 1513 C ASP A 100 13.942 -17.366 9.846 1.00 43.31 C ATOM 1514 O ASP A 100 13.094 -16.517 9.569 1.00 61.32 O ATOM 1515 CB ASP A 100 15.806 -15.931 10.699 1.00 64.21 C ATOM 1516 CG ASP A 100 15.777 -16.385 12.145 1.00 21.31 C ATOM 1517 OD1 ASP A 100 15.152 -17.429 12.426 1.00 25.31 O ATOM 1518 OD2 ASP A 100 16.378 -15.696 12.996 1.00 30.10 O ATOM 0 H ASP A 100 16.428 -15.893 8.291 1.00 22.35 H new ATOM 0 HA ASP A 100 15.994 -17.948 9.982 1.00 3.04 H new ATOM 0 HB2 ASP A 100 16.803 -15.563 10.457 1.00 64.21 H new ATOM 0 HB3 ASP A 100 15.118 -15.096 10.570 1.00 64.21 H new ATOM 1523 N TYR A 101 13.633 -18.590 10.258 1.00 50.01 N ATOM 1524 CA TYR A 101 12.247 -19.018 10.410 1.00 64.04 C ATOM 1525 C TYR A 101 11.659 -18.505 11.720 1.00 0.23 C ATOM 1526 O TYR A 101 12.362 -17.913 12.541 1.00 53.44 O ATOM 1527 CB TYR A 101 12.155 -20.544 10.359 1.00 54.01 C ATOM 1528 CG TYR A 101 13.171 -21.242 11.234 1.00 44.14 C ATOM 1529 CD1 TYR A 101 13.259 -20.961 12.591 1.00 12.34 C ATOM 1530 CD2 TYR A 101 14.044 -22.183 10.702 1.00 22.41 C ATOM 1531 CE1 TYR A 101 14.187 -21.595 13.394 1.00 72.40 C ATOM 1532 CE2 TYR A 101 14.975 -22.824 11.497 1.00 35.25 C ATOM 1533 CZ TYR A 101 15.042 -22.526 12.843 1.00 62.45 C ATOM 1534 OH TYR A 101 15.967 -23.162 13.639 1.00 41.10 O ATOM 0 H TYR A 101 14.323 -19.304 10.493 1.00 50.01 H new ATOM 0 HA TYR A 101 11.671 -18.598 9.586 1.00 64.04 H new ATOM 0 HB2 TYR A 101 11.154 -20.850 10.664 1.00 54.01 H new ATOM 0 HB3 TYR A 101 12.288 -20.873 9.329 1.00 54.01 H new ATOM 0 HD1 TYR A 101 12.590 -20.234 13.026 1.00 12.34 H new ATOM 0 HD2 TYR A 101 13.994 -22.418 9.649 1.00 22.41 H new ATOM 0 HE1 TYR A 101 14.243 -21.363 14.447 1.00 72.40 H new ATOM 0 HE2 TYR A 101 15.646 -23.553 11.068 1.00 35.25 H new ATOM 0 HH TYR A 101 16.795 -22.637 13.662 1.00 41.10 H new ATOM 1544 N LEU A 102 10.365 -18.737 11.911 1.00 10.30 N ATOM 1545 CA LEU A 102 9.680 -18.299 13.122 1.00 33.33 C ATOM 1546 C LEU A 102 8.862 -19.437 13.726 1.00 3.34 C ATOM 1547 O LEU A 102 7.897 -19.922 13.136 1.00 13.42 O ATOM 1548 CB LEU A 102 8.769 -17.109 12.815 1.00 23.02 C ATOM 1549 CG LEU A 102 7.691 -16.803 13.855 1.00 74.20 C ATOM 1550 CD1 LEU A 102 8.311 -16.203 15.107 1.00 50.31 C ATOM 1551 CD2 LEU A 102 6.641 -15.866 13.275 1.00 4.21 C ATOM 0 H LEU A 102 9.769 -19.226 11.243 1.00 10.30 H new ATOM 0 HA LEU A 102 10.435 -17.993 13.846 1.00 33.33 H new ATOM 0 HB2 LEU A 102 9.391 -16.222 12.694 1.00 23.02 H new ATOM 0 HB3 LEU A 102 8.281 -17.288 11.857 1.00 23.02 H new ATOM 0 HG LEU A 102 7.203 -17.738 14.130 1.00 74.20 H new ATOM 0 HD11 LEU A 102 7.528 -15.992 15.835 1.00 50.31 H new ATOM 0 HD12 LEU A 102 9.024 -16.909 15.534 1.00 50.31 H new ATOM 0 HD13 LEU A 102 8.826 -15.278 14.850 1.00 50.31 H new ATOM 0 HD21 LEU A 102 5.882 -15.659 14.029 1.00 4.21 H new ATOM 0 HD22 LEU A 102 7.115 -14.932 12.971 1.00 4.21 H new ATOM 0 HD23 LEU A 102 6.174 -16.335 12.409 1.00 4.21 H new ATOM 1563 N PRO A 103 9.255 -19.872 14.933 1.00 63.45 N ATOM 1564 CA PRO A 103 8.571 -20.956 15.644 1.00 11.24 C ATOM 1565 C PRO A 103 7.187 -20.544 16.136 1.00 45.45 C ATOM 1566 O PRO A 103 6.979 -19.404 16.553 1.00 62.03 O ATOM 1567 CB PRO A 103 9.496 -21.241 16.830 1.00 62.20 C ATOM 1568 CG PRO A 103 10.232 -19.965 17.052 1.00 14.24 C ATOM 1569 CD PRO A 103 10.398 -19.341 15.694 1.00 14.45 C ATOM 0 HA PRO A 103 8.399 -21.820 15.002 1.00 11.24 H new ATOM 0 HB2 PRO A 103 8.928 -21.529 17.715 1.00 62.20 H new ATOM 0 HB3 PRO A 103 10.181 -22.060 16.610 1.00 62.20 H new ATOM 0 HG2 PRO A 103 9.677 -19.305 17.719 1.00 14.24 H new ATOM 0 HG3 PRO A 103 11.200 -20.149 17.518 1.00 14.24 H new ATOM 0 HD2 PRO A 103 10.375 -18.252 15.746 1.00 14.45 H new ATOM 0 HD3 PRO A 103 11.348 -19.618 15.238 1.00 14.45 H new ATOM 1577 N LYS A 104 6.244 -21.478 16.084 1.00 52.40 N ATOM 1578 CA LYS A 104 4.880 -21.213 16.525 1.00 14.22 C ATOM 1579 C LYS A 104 4.595 -21.901 17.856 1.00 0.14 C ATOM 1580 O LYS A 104 5.124 -22.972 18.155 1.00 43.32 O ATOM 1581 CB LYS A 104 3.879 -21.688 15.469 1.00 11.23 C ATOM 1582 CG LYS A 104 3.210 -20.554 14.711 1.00 24.11 C ATOM 1583 CD LYS A 104 1.983 -21.036 13.956 1.00 40.31 C ATOM 1584 CE LYS A 104 1.153 -19.870 13.441 1.00 74.12 C ATOM 1585 NZ LYS A 104 0.661 -19.007 14.550 1.00 51.51 N ATOM 0 H LYS A 104 6.399 -22.426 15.741 1.00 52.40 H new ATOM 0 HA LYS A 104 4.772 -20.137 16.662 1.00 14.22 H new ATOM 0 HB2 LYS A 104 4.393 -22.335 14.758 1.00 11.23 H new ATOM 0 HB3 LYS A 104 3.112 -22.292 15.953 1.00 11.23 H new ATOM 0 HG2 LYS A 104 2.923 -19.768 15.409 1.00 24.11 H new ATOM 0 HG3 LYS A 104 3.920 -20.115 14.010 1.00 24.11 H new ATOM 0 HD2 LYS A 104 2.292 -21.662 13.119 1.00 40.31 H new ATOM 0 HD3 LYS A 104 1.372 -21.658 14.611 1.00 40.31 H new ATOM 0 HE2 LYS A 104 1.753 -19.272 12.755 1.00 74.12 H new ATOM 0 HE3 LYS A 104 0.304 -20.251 12.873 1.00 74.12 H new ATOM 0 HZ1 LYS A 104 -0.372 -19.096 14.627 1.00 51.51 H new ATOM 0 HZ2 LYS A 104 1.101 -19.306 15.444 1.00 51.51 H new ATOM 0 HZ3 LYS A 104 0.910 -18.016 14.355 1.00 51.51 H new ATOM 1599 N PRO A 105 3.738 -21.274 18.676 1.00 22.13 N ATOM 1600 CA PRO A 105 3.103 -19.999 18.332 1.00 15.12 C ATOM 1601 C PRO A 105 4.094 -18.841 18.323 1.00 2.54 C ATOM 1602 O PRO A 105 5.287 -19.029 18.565 1.00 73.32 O ATOM 1603 CB PRO A 105 2.067 -19.808 19.443 1.00 52.30 C ATOM 1604 CG PRO A 105 2.600 -20.585 20.596 1.00 22.42 C ATOM 1605 CD PRO A 105 3.325 -21.762 20.003 1.00 55.03 C ATOM 0 HA PRO A 105 2.676 -20.014 17.329 1.00 15.12 H new ATOM 0 HB2 PRO A 105 1.948 -18.755 19.697 1.00 52.30 H new ATOM 0 HB3 PRO A 105 1.087 -20.175 19.138 1.00 52.30 H new ATOM 0 HG2 PRO A 105 3.273 -19.976 21.199 1.00 22.42 H new ATOM 0 HG3 PRO A 105 1.793 -20.913 21.251 1.00 22.42 H new ATOM 0 HD2 PRO A 105 4.183 -22.053 20.609 1.00 55.03 H new ATOM 0 HD3 PRO A 105 2.678 -22.636 19.927 1.00 55.03 H new ATOM 1613 N PHE A 106 3.594 -17.641 18.044 1.00 31.52 N ATOM 1614 CA PHE A 106 4.437 -16.452 18.004 1.00 73.14 C ATOM 1615 C PHE A 106 3.594 -15.184 18.108 1.00 74.43 C ATOM 1616 O PHE A 106 2.373 -15.224 17.954 1.00 13.32 O ATOM 1617 CB PHE A 106 5.258 -16.427 16.713 1.00 24.12 C ATOM 1618 CG PHE A 106 4.419 -16.456 15.468 1.00 44.43 C ATOM 1619 CD1 PHE A 106 3.678 -15.348 15.091 1.00 54.33 C ATOM 1620 CD2 PHE A 106 4.373 -17.590 14.674 1.00 60.05 C ATOM 1621 CE1 PHE A 106 2.904 -15.372 13.946 1.00 42.25 C ATOM 1622 CE2 PHE A 106 3.602 -17.620 13.527 1.00 53.21 C ATOM 1623 CZ PHE A 106 2.867 -16.509 13.162 1.00 42.30 C ATOM 0 H PHE A 106 2.609 -17.467 17.842 1.00 31.52 H new ATOM 0 HA PHE A 106 5.114 -16.488 18.857 1.00 73.14 H new ATOM 0 HB2 PHE A 106 5.877 -15.530 16.703 1.00 24.12 H new ATOM 0 HB3 PHE A 106 5.934 -17.282 16.706 1.00 24.12 H new ATOM 0 HD1 PHE A 106 3.705 -14.455 15.698 1.00 54.33 H new ATOM 0 HD2 PHE A 106 4.946 -18.461 14.954 1.00 60.05 H new ATOM 0 HE1 PHE A 106 2.329 -14.503 13.664 1.00 42.25 H new ATOM 0 HE2 PHE A 106 3.574 -18.511 12.917 1.00 53.21 H new ATOM 0 HZ PHE A 106 2.265 -16.529 12.266 1.00 42.30 H new ATOM 1633 N ASP A 107 4.254 -14.062 18.370 1.00 60.10 N ATOM 1634 CA ASP A 107 3.567 -12.782 18.494 1.00 12.24 C ATOM 1635 C ASP A 107 3.390 -12.125 17.129 1.00 74.21 C ATOM 1636 O ASP A 107 4.366 -11.759 16.474 1.00 1.33 O ATOM 1637 CB ASP A 107 4.344 -11.850 19.425 1.00 2.12 C ATOM 1638 CG ASP A 107 4.020 -12.089 20.887 1.00 62.32 C ATOM 1639 OD1 ASP A 107 3.739 -13.251 21.249 1.00 14.51 O ATOM 1640 OD2 ASP A 107 4.047 -11.115 21.668 1.00 24.32 O ATOM 0 H ASP A 107 5.264 -14.013 18.501 1.00 60.10 H new ATOM 0 HA ASP A 107 2.580 -12.967 18.918 1.00 12.24 H new ATOM 0 HB2 ASP A 107 5.413 -11.990 19.265 1.00 2.12 H new ATOM 0 HB3 ASP A 107 4.117 -10.815 19.170 1.00 2.12 H new ATOM 1645 N ILE A 108 2.139 -11.981 16.705 1.00 35.13 N ATOM 1646 CA ILE A 108 1.834 -11.369 15.418 1.00 1.10 C ATOM 1647 C ILE A 108 2.612 -10.071 15.229 1.00 51.01 C ATOM 1648 O ILE A 108 3.003 -9.727 14.114 1.00 40.45 O ATOM 1649 CB ILE A 108 0.329 -11.078 15.275 1.00 14.52 C ATOM 1650 CG1 ILE A 108 -0.429 -12.358 14.919 1.00 35.15 C ATOM 1651 CG2 ILE A 108 0.094 -10.006 14.220 1.00 21.54 C ATOM 1652 CD1 ILE A 108 -1.864 -12.365 15.400 1.00 4.34 C ATOM 0 H ILE A 108 1.320 -12.280 17.234 1.00 35.13 H new ATOM 0 HA ILE A 108 2.131 -12.083 14.650 1.00 1.10 H new ATOM 0 HB ILE A 108 -0.047 -10.709 16.230 1.00 14.52 H new ATOM 0 HG12 ILE A 108 -0.416 -12.489 13.837 1.00 35.15 H new ATOM 0 HG13 ILE A 108 0.094 -13.212 15.349 1.00 35.15 H new ATOM 0 HG21 ILE A 108 -0.975 -9.812 14.131 1.00 21.54 H new ATOM 0 HG22 ILE A 108 0.606 -9.089 14.512 1.00 21.54 H new ATOM 0 HG23 ILE A 108 0.482 -10.348 13.261 1.00 21.54 H new ATOM 0 HD11 ILE A 108 -2.340 -13.303 15.112 1.00 4.34 H new ATOM 0 HD12 ILE A 108 -1.884 -12.266 16.485 1.00 4.34 H new ATOM 0 HD13 ILE A 108 -2.403 -11.532 14.949 1.00 4.34 H new ATOM 1664 N ASP A 109 2.834 -9.356 16.326 1.00 0.21 N ATOM 1665 CA ASP A 109 3.568 -8.097 16.282 1.00 2.53 C ATOM 1666 C ASP A 109 4.960 -8.299 15.692 1.00 60.24 C ATOM 1667 O ASP A 109 5.435 -7.482 14.903 1.00 34.14 O ATOM 1668 CB ASP A 109 3.678 -7.497 17.685 1.00 42.41 C ATOM 1669 CG ASP A 109 2.521 -6.574 18.012 1.00 35.25 C ATOM 1670 OD1 ASP A 109 1.371 -7.060 18.068 1.00 23.41 O ATOM 1671 OD2 ASP A 109 2.764 -5.366 18.214 1.00 32.22 O ATOM 0 H ASP A 109 2.516 -9.627 17.257 1.00 0.21 H new ATOM 0 HA ASP A 109 3.018 -7.407 15.642 1.00 2.53 H new ATOM 0 HB2 ASP A 109 3.716 -8.302 18.419 1.00 42.41 H new ATOM 0 HB3 ASP A 109 4.614 -6.945 17.769 1.00 42.41 H new ATOM 1676 N GLU A 110 5.609 -9.393 16.080 1.00 54.14 N ATOM 1677 CA GLU A 110 6.947 -9.701 15.589 1.00 11.23 C ATOM 1678 C GLU A 110 6.888 -10.302 14.188 1.00 60.00 C ATOM 1679 O GLU A 110 7.801 -10.119 13.384 1.00 41.33 O ATOM 1680 CB GLU A 110 7.653 -10.668 16.542 1.00 41.02 C ATOM 1681 CG GLU A 110 9.134 -10.839 16.248 1.00 71.33 C ATOM 1682 CD GLU A 110 9.792 -11.867 17.147 1.00 21.52 C ATOM 1683 OE1 GLU A 110 9.676 -11.735 18.384 1.00 55.45 O ATOM 1684 OE2 GLU A 110 10.424 -12.804 16.615 1.00 34.24 O ATOM 0 H GLU A 110 5.230 -10.080 16.732 1.00 54.14 H new ATOM 0 HA GLU A 110 7.512 -8.770 15.542 1.00 11.23 H new ATOM 0 HB2 GLU A 110 7.533 -10.310 17.564 1.00 41.02 H new ATOM 0 HB3 GLU A 110 7.165 -11.641 16.486 1.00 41.02 H new ATOM 0 HG2 GLU A 110 9.262 -11.137 15.207 1.00 71.33 H new ATOM 0 HG3 GLU A 110 9.638 -9.880 16.369 1.00 71.33 H new ATOM 1691 N ALA A 111 5.807 -11.021 13.904 1.00 60.10 N ATOM 1692 CA ALA A 111 5.628 -11.648 12.600 1.00 35.25 C ATOM 1693 C ALA A 111 5.471 -10.600 11.504 1.00 70.21 C ATOM 1694 O ALA A 111 6.231 -10.582 10.535 1.00 33.14 O ATOM 1695 CB ALA A 111 4.422 -12.576 12.623 1.00 53.13 C ATOM 0 H ALA A 111 5.042 -11.184 14.559 1.00 60.10 H new ATOM 0 HA ALA A 111 6.520 -12.234 12.380 1.00 35.25 H new ATOM 0 HB1 ALA A 111 4.299 -13.038 11.643 1.00 53.13 H new ATOM 0 HB2 ALA A 111 4.574 -13.352 13.373 1.00 53.13 H new ATOM 0 HB3 ALA A 111 3.527 -12.004 12.869 1.00 53.13 H new ATOM 1701 N VAL A 112 4.480 -9.728 11.662 1.00 21.31 N ATOM 1702 CA VAL A 112 4.224 -8.677 10.685 1.00 1.53 C ATOM 1703 C VAL A 112 5.497 -7.900 10.367 1.00 21.51 C ATOM 1704 O VAL A 112 5.688 -7.435 9.244 1.00 11.21 O ATOM 1705 CB VAL A 112 3.149 -7.694 11.187 1.00 20.21 C ATOM 1706 CG1 VAL A 112 3.163 -6.418 10.359 1.00 24.23 C ATOM 1707 CG2 VAL A 112 1.775 -8.346 11.153 1.00 31.12 C ATOM 0 H VAL A 112 3.842 -9.729 12.457 1.00 21.31 H new ATOM 0 HA VAL A 112 3.865 -9.167 9.780 1.00 1.53 H new ATOM 0 HB VAL A 112 3.376 -7.430 12.220 1.00 20.21 H new ATOM 0 HG11 VAL A 112 2.397 -5.736 10.728 1.00 24.23 H new ATOM 0 HG12 VAL A 112 4.141 -5.943 10.439 1.00 24.23 H new ATOM 0 HG13 VAL A 112 2.961 -6.659 9.315 1.00 24.23 H new ATOM 0 HG21 VAL A 112 1.027 -7.638 11.511 1.00 31.12 H new ATOM 0 HG22 VAL A 112 1.537 -8.640 10.131 1.00 31.12 H new ATOM 0 HG23 VAL A 112 1.775 -9.228 11.793 1.00 31.12 H new ATOM 1717 N ALA A 113 6.366 -7.766 11.364 1.00 41.45 N ATOM 1718 CA ALA A 113 7.623 -7.048 11.189 1.00 31.13 C ATOM 1719 C ALA A 113 8.696 -7.956 10.599 1.00 23.43 C ATOM 1720 O ALA A 113 9.588 -7.498 9.884 1.00 52.43 O ATOM 1721 CB ALA A 113 8.089 -6.470 12.517 1.00 22.33 C ATOM 0 H ALA A 113 6.223 -8.145 12.300 1.00 41.45 H new ATOM 0 HA ALA A 113 7.452 -6.230 10.489 1.00 31.13 H new ATOM 0 HB1 ALA A 113 9.028 -5.937 12.372 1.00 22.33 H new ATOM 0 HB2 ALA A 113 7.336 -5.781 12.898 1.00 22.33 H new ATOM 0 HB3 ALA A 113 8.237 -7.278 13.233 1.00 22.33 H new ATOM 1727 N LEU A 114 8.606 -9.246 10.904 1.00 21.30 N ATOM 1728 CA LEU A 114 9.571 -10.220 10.404 1.00 13.21 C ATOM 1729 C LEU A 114 9.491 -10.334 8.885 1.00 23.52 C ATOM 1730 O LEU A 114 10.514 -10.395 8.202 1.00 32.33 O ATOM 1731 CB LEU A 114 9.323 -11.587 11.044 1.00 61.12 C ATOM 1732 CG LEU A 114 10.241 -12.720 10.582 1.00 14.04 C ATOM 1733 CD1 LEU A 114 11.614 -12.589 11.223 1.00 73.30 C ATOM 1734 CD2 LEU A 114 9.624 -14.072 10.909 1.00 21.33 C ATOM 0 H LEU A 114 7.875 -9.642 11.495 1.00 21.30 H new ATOM 0 HA LEU A 114 10.570 -9.877 10.672 1.00 13.21 H new ATOM 0 HB2 LEU A 114 9.422 -11.484 12.125 1.00 61.12 H new ATOM 0 HB3 LEU A 114 8.292 -11.878 10.845 1.00 61.12 H new ATOM 0 HG LEU A 114 10.360 -12.649 9.501 1.00 14.04 H new ATOM 0 HD11 LEU A 114 12.254 -13.403 10.883 1.00 73.30 H new ATOM 0 HD12 LEU A 114 12.059 -11.635 10.939 1.00 73.30 H new ATOM 0 HD13 LEU A 114 11.515 -12.634 12.308 1.00 73.30 H new ATOM 0 HD21 LEU A 114 10.290 -14.867 10.573 1.00 21.33 H new ATOM 0 HD22 LEU A 114 9.476 -14.153 11.986 1.00 21.33 H new ATOM 0 HD23 LEU A 114 8.663 -14.166 10.402 1.00 21.33 H new ATOM 1746 N VAL A 115 8.270 -10.361 8.362 1.00 74.31 N ATOM 1747 CA VAL A 115 8.056 -10.465 6.923 1.00 22.03 C ATOM 1748 C VAL A 115 8.581 -9.230 6.199 1.00 21.25 C ATOM 1749 O VAL A 115 9.133 -9.329 5.104 1.00 33.00 O ATOM 1750 CB VAL A 115 6.564 -10.647 6.589 1.00 52.11 C ATOM 1751 CG1 VAL A 115 5.740 -9.521 7.195 1.00 74.22 C ATOM 1752 CG2 VAL A 115 6.360 -10.717 5.083 1.00 43.20 C ATOM 0 H VAL A 115 7.413 -10.312 8.913 1.00 74.31 H new ATOM 0 HA VAL A 115 8.606 -11.343 6.584 1.00 22.03 H new ATOM 0 HB VAL A 115 6.224 -11.588 7.023 1.00 52.11 H new ATOM 0 HG11 VAL A 115 4.688 -9.666 6.948 1.00 74.22 H new ATOM 0 HG12 VAL A 115 5.862 -9.523 8.278 1.00 74.22 H new ATOM 0 HG13 VAL A 115 6.078 -8.566 6.793 1.00 74.22 H new ATOM 0 HG21 VAL A 115 5.300 -10.846 4.865 1.00 43.20 H new ATOM 0 HG22 VAL A 115 6.715 -9.794 4.624 1.00 43.20 H new ATOM 0 HG23 VAL A 115 6.919 -11.561 4.679 1.00 43.20 H new ATOM 1762 N GLU A 116 8.406 -8.068 6.820 1.00 13.22 N ATOM 1763 CA GLU A 116 8.862 -6.813 6.234 1.00 71.00 C ATOM 1764 C GLU A 116 10.374 -6.826 6.031 1.00 43.43 C ATOM 1765 O GLU A 116 10.890 -6.216 5.094 1.00 4.10 O ATOM 1766 CB GLU A 116 8.466 -5.634 7.125 1.00 31.14 C ATOM 1767 CG GLU A 116 7.308 -4.818 6.576 1.00 32.04 C ATOM 1768 CD GLU A 116 7.064 -3.547 7.366 1.00 11.22 C ATOM 1769 OE1 GLU A 116 8.001 -2.728 7.476 1.00 30.41 O ATOM 1770 OE2 GLU A 116 5.937 -3.370 7.874 1.00 20.22 O ATOM 0 H GLU A 116 7.952 -7.969 7.728 1.00 13.22 H new ATOM 0 HA GLU A 116 8.383 -6.700 5.262 1.00 71.00 H new ATOM 0 HB2 GLU A 116 8.199 -6.010 8.113 1.00 31.14 H new ATOM 0 HB3 GLU A 116 9.330 -4.982 7.255 1.00 31.14 H new ATOM 0 HG2 GLU A 116 7.510 -4.562 5.536 1.00 32.04 H new ATOM 0 HG3 GLU A 116 6.403 -5.426 6.585 1.00 32.04 H new ATOM 1777 N ARG A 117 11.078 -7.524 6.915 1.00 24.13 N ATOM 1778 CA ARG A 117 12.531 -7.615 6.835 1.00 63.12 C ATOM 1779 C ARG A 117 12.962 -8.307 5.545 1.00 20.30 C ATOM 1780 O ARG A 117 14.024 -8.014 4.996 1.00 32.24 O ATOM 1781 CB ARG A 117 13.084 -8.374 8.043 1.00 73.13 C ATOM 1782 CG ARG A 117 14.533 -8.804 7.881 1.00 34.02 C ATOM 1783 CD ARG A 117 15.326 -8.580 9.159 1.00 31.11 C ATOM 1784 NE ARG A 117 16.752 -8.405 8.895 1.00 74.23 N ATOM 1785 CZ ARG A 117 17.268 -7.315 8.339 1.00 55.25 C ATOM 1786 NH1 ARG A 117 16.479 -6.308 7.990 1.00 13.43 N ATOM 1787 NH2 ARG A 117 18.575 -7.230 8.130 1.00 22.12 N ATOM 0 H ARG A 117 10.666 -8.035 7.696 1.00 24.13 H new ATOM 0 HA ARG A 117 12.934 -6.602 6.836 1.00 63.12 H new ATOM 0 HB2 ARG A 117 12.998 -7.744 8.928 1.00 73.13 H new ATOM 0 HB3 ARG A 117 12.469 -9.257 8.219 1.00 73.13 H new ATOM 0 HG2 ARG A 117 14.572 -9.858 7.607 1.00 34.02 H new ATOM 0 HG3 ARG A 117 14.991 -8.245 7.065 1.00 34.02 H new ATOM 0 HD2 ARG A 117 14.942 -7.700 9.674 1.00 31.11 H new ATOM 0 HD3 ARG A 117 15.183 -9.429 9.828 1.00 31.11 H new ATOM 0 HE ARG A 117 17.386 -9.161 9.152 1.00 74.23 H new ATOM 0 HH11 ARG A 117 15.473 -6.370 8.148 1.00 13.43 H new ATOM 0 HH12 ARG A 117 16.878 -5.472 7.563 1.00 13.43 H new ATOM 0 HH21 ARG A 117 19.185 -8.003 8.396 1.00 22.12 H new ATOM 0 HH22 ARG A 117 18.970 -6.392 7.703 1.00 22.12 H new ATOM 1801 N ALA A 118 12.131 -9.227 5.067 1.00 35.53 N ATOM 1802 CA ALA A 118 12.424 -9.960 3.842 1.00 64.20 C ATOM 1803 C ALA A 118 11.993 -9.169 2.612 1.00 1.41 C ATOM 1804 O ALA A 118 12.667 -9.189 1.582 1.00 43.52 O ATOM 1805 CB ALA A 118 11.741 -11.320 3.863 1.00 5.43 C ATOM 0 H ALA A 118 11.249 -9.483 5.510 1.00 35.53 H new ATOM 0 HA ALA A 118 13.502 -10.108 3.787 1.00 64.20 H new ATOM 0 HB1 ALA A 118 11.969 -11.856 2.942 1.00 5.43 H new ATOM 0 HB2 ALA A 118 12.101 -11.895 4.716 1.00 5.43 H new ATOM 0 HB3 ALA A 118 10.663 -11.184 3.947 1.00 5.43 H new ATOM 1811 N ILE A 119 10.866 -8.474 2.727 1.00 45.43 N ATOM 1812 CA ILE A 119 10.346 -7.675 1.624 1.00 63.34 C ATOM 1813 C ILE A 119 11.193 -6.426 1.402 1.00 34.31 C ATOM 1814 O ILE A 119 11.398 -5.997 0.267 1.00 4.31 O ATOM 1815 CB ILE A 119 8.886 -7.255 1.873 1.00 51.42 C ATOM 1816 CG1 ILE A 119 8.002 -8.489 2.061 1.00 33.11 C ATOM 1817 CG2 ILE A 119 8.376 -6.402 0.720 1.00 23.24 C ATOM 1818 CD1 ILE A 119 6.591 -8.161 2.499 1.00 64.13 C ATOM 0 H ILE A 119 10.296 -8.448 3.572 1.00 45.43 H new ATOM 0 HA ILE A 119 10.388 -8.302 0.733 1.00 63.34 H new ATOM 0 HB ILE A 119 8.845 -6.660 2.785 1.00 51.42 H new ATOM 0 HG12 ILE A 119 7.963 -9.044 1.124 1.00 33.11 H new ATOM 0 HG13 ILE A 119 8.460 -9.145 2.801 1.00 33.11 H new ATOM 0 HG21 ILE A 119 7.342 -6.113 0.911 1.00 23.24 H new ATOM 0 HG22 ILE A 119 8.992 -5.507 0.629 1.00 23.24 H new ATOM 0 HG23 ILE A 119 8.428 -6.974 -0.206 1.00 23.24 H new ATOM 0 HD11 ILE A 119 6.022 -9.083 2.612 1.00 64.13 H new ATOM 0 HD12 ILE A 119 6.619 -7.633 3.452 1.00 64.13 H new ATOM 0 HD13 ILE A 119 6.114 -7.530 1.749 1.00 64.13 H new ATOM 1830 N SER A 120 11.682 -5.849 2.494 1.00 4.54 N ATOM 1831 CA SER A 120 12.505 -4.647 2.420 1.00 25.11 C ATOM 1832 C SER A 120 13.948 -4.998 2.068 1.00 51.31 C ATOM 1833 O SER A 120 14.768 -4.116 1.808 1.00 33.22 O ATOM 1834 CB SER A 120 12.462 -3.891 3.749 1.00 5.13 C ATOM 1835 OG SER A 120 12.523 -2.490 3.541 1.00 31.45 O ATOM 0 H SER A 120 11.523 -6.194 3.441 1.00 4.54 H new ATOM 0 HA SER A 120 12.102 -4.008 1.634 1.00 25.11 H new ATOM 0 HB2 SER A 120 11.547 -4.143 4.285 1.00 5.13 H new ATOM 0 HB3 SER A 120 13.296 -4.205 4.377 1.00 5.13 H new ATOM 0 HG SER A 120 12.492 -2.029 4.405 1.00 31.45 H new ATOM 1841 N HIS A 121 14.251 -6.292 2.061 1.00 30.01 N ATOM 1842 CA HIS A 121 15.594 -6.761 1.740 1.00 3.03 C ATOM 1843 C HIS A 121 15.939 -6.467 0.283 1.00 32.43 C ATOM 1844 O HIS A 121 17.110 -6.333 -0.073 1.00 74.42 O ATOM 1845 CB HIS A 121 15.712 -8.261 2.012 1.00 2.02 C ATOM 1846 CG HIS A 121 17.125 -8.756 2.035 1.00 64.45 C ATOM 1847 ND1 HIS A 121 17.730 -9.356 0.950 1.00 72.21 N ATOM 1848 CD2 HIS A 121 18.055 -8.737 3.018 1.00 0.22 C ATOM 1849 CE1 HIS A 121 18.969 -9.686 1.266 1.00 5.30 C ATOM 1850 NE2 HIS A 121 19.192 -9.320 2.516 1.00 60.24 N ATOM 0 H HIS A 121 13.585 -7.034 2.274 1.00 30.01 H new ATOM 0 HA HIS A 121 16.300 -6.228 2.376 1.00 3.03 H new ATOM 0 HB2 HIS A 121 15.241 -8.487 2.969 1.00 2.02 H new ATOM 0 HB3 HIS A 121 15.157 -8.805 1.248 1.00 2.02 H new ATOM 0 HD2 HIS A 121 17.926 -8.337 4.013 1.00 0.22 H new ATOM 0 HE1 HIS A 121 19.679 -10.172 0.614 1.00 5.30 H new ATOM 0 HE2 HIS A 121 20.066 -9.450 3.025 1.00 60.24 H new ATOM 1858 N TYR A 122 14.912 -6.370 -0.554 1.00 2.41 N ATOM 1859 CA TYR A 122 15.107 -6.095 -1.973 1.00 35.33 C ATOM 1860 C TYR A 122 15.595 -4.666 -2.189 1.00 73.24 C ATOM 1861 O TYR A 122 16.535 -4.429 -2.947 1.00 51.12 O ATOM 1862 CB TYR A 122 13.803 -6.323 -2.741 1.00 5.02 C ATOM 1863 CG TYR A 122 13.054 -7.562 -2.307 1.00 74.33 C ATOM 1864 CD1 TYR A 122 13.727 -8.748 -2.041 1.00 73.34 C ATOM 1865 CD2 TYR A 122 11.672 -7.547 -2.163 1.00 13.25 C ATOM 1866 CE1 TYR A 122 13.045 -9.883 -1.646 1.00 25.11 C ATOM 1867 CE2 TYR A 122 10.982 -8.676 -1.766 1.00 23.50 C ATOM 1868 CZ TYR A 122 11.674 -9.842 -1.509 1.00 74.14 C ATOM 1869 OH TYR A 122 10.991 -10.970 -1.114 1.00 64.01 O ATOM 0 H TYR A 122 13.937 -6.478 -0.275 1.00 2.41 H new ATOM 0 HA TYR A 122 15.867 -6.779 -2.349 1.00 35.33 H new ATOM 0 HB2 TYR A 122 13.158 -5.454 -2.611 1.00 5.02 H new ATOM 0 HB3 TYR A 122 14.026 -6.398 -3.805 1.00 5.02 H new ATOM 0 HD1 TYR A 122 14.801 -8.783 -2.145 1.00 73.34 H new ATOM 0 HD2 TYR A 122 11.128 -6.636 -2.365 1.00 13.25 H new ATOM 0 HE1 TYR A 122 13.583 -10.798 -1.446 1.00 25.11 H new ATOM 0 HE2 TYR A 122 9.908 -8.646 -1.657 1.00 23.50 H new ATOM 0 HH TYR A 122 10.358 -11.231 -1.815 1.00 64.01 H new