USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 743 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 33 ASN : amide:sc= 0.227 K(o=0.2,f=-0.31) USER MOD Set 1.2: A 56 TYR OH : rot 80:sc= -0.0222 USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= -0.416 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.0347) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.071) USER MOD Single : A 4 ASN : amide:sc= -0.294 K(o=-0.29,f=-4.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.473 K(o=-0.47,f=-2.3!) USER MOD Single : A 11 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -137:sc= -0.138 (180deg=-1) USER MOD Single : A 45 SER OG : rot 120:sc= -0.346 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.041 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 57 CYS SG : rot -66:sc= -2.07! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.32) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0816 K(o=-0.082,f=-0.61) USER MOD Single : A 66 SER OG : rot 160:sc= -0.874 USER MOD Single : A 74 THR OG1 : rot 84:sc= 0.845 USER MOD Single : A 79 THR OG1 : rot 133:sc= 0.386 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc=-0.00226 (180deg=-0.0381) USER MOD Single : A 81 THR OG1 : rot 160:sc= -0.913 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.004 1.218 -33.076 1.00 3.23 N ATOM 2 CA MET A 1 21.791 2.025 -33.008 1.00 44.24 C ATOM 3 C MET A 1 21.229 2.044 -31.591 1.00 0.15 C ATOM 4 O MET A 1 20.025 1.885 -31.388 1.00 43.41 O ATOM 5 CB MET A 1 20.740 1.486 -33.980 1.00 34.55 C ATOM 6 CG MET A 1 21.055 1.773 -35.438 1.00 64.24 C ATOM 7 SD MET A 1 19.573 1.914 -36.455 1.00 70.01 S ATOM 8 CE MET A 1 19.063 0.200 -36.550 1.00 62.43 C ATOM 0 H1 MET A 1 23.311 1.136 -34.066 1.00 3.23 H new ATOM 0 H2 MET A 1 23.755 1.672 -32.517 1.00 3.23 H new ATOM 0 H3 MET A 1 22.812 0.270 -32.694 1.00 3.23 H new ATOM 0 HA MET A 1 22.047 3.046 -33.291 1.00 44.24 H new ATOM 0 HB2 MET A 1 20.649 0.409 -33.842 1.00 34.55 H new ATOM 0 HB3 MET A 1 19.772 1.922 -33.734 1.00 34.55 H new ATOM 0 HG2 MET A 1 21.627 2.698 -35.507 1.00 64.24 H new ATOM 0 HG3 MET A 1 21.687 0.977 -35.832 1.00 64.24 H new ATOM 0 HE1 MET A 1 18.156 0.123 -37.149 1.00 62.43 H new ATOM 0 HE2 MET A 1 19.854 -0.390 -37.012 1.00 62.43 H new ATOM 0 HE3 MET A 1 18.868 -0.178 -35.546 1.00 62.43 H new ATOM 18 N SER A 2 22.108 2.239 -30.613 1.00 31.24 N ATOM 19 CA SER A 2 21.699 2.274 -29.213 1.00 41.33 C ATOM 20 C SER A 2 22.826 2.804 -28.331 1.00 71.44 C ATOM 21 O SER A 2 23.996 2.492 -28.547 1.00 62.20 O ATOM 22 CB SER A 2 21.283 0.878 -28.746 1.00 5.00 C ATOM 23 OG SER A 2 20.660 0.930 -27.474 1.00 44.43 O ATOM 0 H SER A 2 23.108 2.375 -30.764 1.00 31.24 H new ATOM 0 HA SER A 2 20.846 2.947 -29.126 1.00 41.33 H new ATOM 0 HB2 SER A 2 20.599 0.437 -29.471 1.00 5.00 H new ATOM 0 HB3 SER A 2 22.159 0.231 -28.699 1.00 5.00 H new ATOM 0 HG SER A 2 20.402 0.025 -27.199 1.00 44.43 H new ATOM 29 N ASN A 3 22.463 3.607 -27.337 1.00 33.02 N ATOM 30 CA ASN A 3 23.442 4.181 -26.421 1.00 42.25 C ATOM 31 C ASN A 3 23.175 3.734 -24.988 1.00 34.24 C ATOM 32 O ASN A 3 22.074 3.291 -24.660 1.00 5.41 O ATOM 33 CB ASN A 3 23.415 5.709 -26.505 1.00 34.35 C ATOM 34 CG ASN A 3 22.012 6.252 -26.699 1.00 62.11 C ATOM 35 OD1 ASN A 3 21.276 6.461 -25.735 1.00 21.13 O ATOM 36 ND2 ASN A 3 21.636 6.483 -27.952 1.00 31.15 N ATOM 0 H ASN A 3 21.498 3.875 -27.145 1.00 33.02 H new ATOM 0 HA ASN A 3 24.429 3.825 -26.715 1.00 42.25 H new ATOM 0 HB2 ASN A 3 23.841 6.128 -25.593 1.00 34.35 H new ATOM 0 HB3 ASN A 3 24.046 6.036 -27.331 1.00 34.35 H new ATOM 0 HD21 ASN A 3 20.704 6.848 -28.146 1.00 31.15 H new ATOM 0 HD22 ASN A 3 22.280 6.295 -28.721 1.00 31.15 H new ATOM 43 N ASN A 4 24.189 3.853 -24.137 1.00 40.12 N ATOM 44 CA ASN A 4 24.064 3.461 -22.738 1.00 54.21 C ATOM 45 C ASN A 4 24.785 4.451 -21.829 1.00 4.20 C ATOM 46 O ASN A 4 25.233 5.507 -22.275 1.00 21.13 O ATOM 47 CB ASN A 4 24.627 2.054 -22.528 1.00 44.44 C ATOM 48 CG ASN A 4 26.128 1.995 -22.741 1.00 52.24 C ATOM 49 OD1 ASN A 4 26.716 2.891 -23.348 1.00 34.12 O ATOM 50 ND2 ASN A 4 26.755 0.936 -22.242 1.00 53.32 N ATOM 0 H ASN A 4 25.107 4.218 -24.392 1.00 40.12 H new ATOM 0 HA ASN A 4 23.005 3.463 -22.480 1.00 54.21 H new ATOM 0 HB2 ASN A 4 24.392 1.719 -21.518 1.00 44.44 H new ATOM 0 HB3 ASN A 4 24.138 1.363 -23.215 1.00 44.44 H new ATOM 0 HD21 ASN A 4 27.764 0.841 -22.355 1.00 53.32 H new ATOM 0 HD22 ASN A 4 26.227 0.218 -21.746 1.00 53.32 H new ATOM 57 N GLY A 5 24.895 4.101 -20.551 1.00 1.52 N ATOM 58 CA GLY A 5 25.564 4.969 -19.599 1.00 53.30 C ATOM 59 C GLY A 5 26.113 4.209 -18.408 1.00 13.42 C ATOM 60 O GLY A 5 26.765 3.179 -18.567 1.00 62.32 O ATOM 0 H GLY A 5 24.533 3.232 -20.158 1.00 1.52 H new ATOM 0 HA2 GLY A 5 26.379 5.492 -20.099 1.00 53.30 H new ATOM 0 HA3 GLY A 5 24.864 5.728 -19.250 1.00 53.30 H new ATOM 64 N GLY A 6 25.849 4.721 -17.209 1.00 22.41 N ATOM 65 CA GLY A 6 26.330 4.071 -16.004 1.00 5.34 C ATOM 66 C GLY A 6 25.662 4.604 -14.752 1.00 31.23 C ATOM 67 O GLY A 6 24.932 5.593 -14.804 1.00 32.22 O ATOM 0 H GLY A 6 25.311 5.573 -17.051 1.00 22.41 H new ATOM 0 HA2 GLY A 6 26.153 2.998 -16.078 1.00 5.34 H new ATOM 0 HA3 GLY A 6 27.408 4.211 -15.925 1.00 5.34 H new ATOM 71 N GLU A 7 25.911 3.945 -13.624 1.00 13.40 N ATOM 72 CA GLU A 7 25.325 4.358 -12.354 1.00 74.01 C ATOM 73 C GLU A 7 26.411 4.663 -11.327 1.00 1.00 C ATOM 74 O GLU A 7 27.559 4.236 -11.454 1.00 73.44 O ATOM 75 CB GLU A 7 24.393 3.268 -11.819 1.00 40.40 C ATOM 76 CG GLU A 7 22.918 3.587 -11.997 1.00 41.22 C ATOM 77 CD GLU A 7 22.478 3.519 -13.447 1.00 15.34 C ATOM 78 OE1 GLU A 7 22.583 4.548 -14.147 1.00 11.23 O ATOM 79 OE2 GLU A 7 22.027 2.439 -13.881 1.00 25.55 O ATOM 0 H GLU A 7 26.514 3.124 -13.564 1.00 13.40 H new ATOM 0 HA GLU A 7 24.748 5.267 -12.528 1.00 74.01 H new ATOM 0 HB2 GLU A 7 24.617 2.329 -12.326 1.00 40.40 H new ATOM 0 HB3 GLU A 7 24.598 3.115 -10.759 1.00 40.40 H new ATOM 0 HG2 GLU A 7 22.325 2.887 -11.408 1.00 41.22 H new ATOM 0 HG3 GLU A 7 22.716 4.584 -11.606 1.00 41.22 H new ATOM 86 N PRO A 8 26.042 5.421 -10.284 1.00 24.04 N ATOM 87 CA PRO A 8 26.970 5.801 -9.214 1.00 20.20 C ATOM 88 C PRO A 8 27.363 4.615 -8.339 1.00 51.13 C ATOM 89 O PRO A 8 26.544 3.740 -8.059 1.00 71.01 O ATOM 90 CB PRO A 8 26.174 6.825 -8.401 1.00 31.51 C ATOM 91 CG PRO A 8 24.746 6.484 -8.657 1.00 43.54 C ATOM 92 CD PRO A 8 24.691 5.965 -10.067 1.00 42.15 C ATOM 0 HA PRO A 8 27.910 6.187 -9.608 1.00 20.20 H new ATOM 0 HB2 PRO A 8 26.413 6.760 -7.339 1.00 31.51 H new ATOM 0 HB3 PRO A 8 26.401 7.843 -8.716 1.00 31.51 H new ATOM 0 HG2 PRO A 8 24.391 5.733 -7.951 1.00 43.54 H new ATOM 0 HG3 PRO A 8 24.108 7.360 -8.538 1.00 43.54 H new ATOM 0 HD2 PRO A 8 23.926 5.198 -10.183 1.00 42.15 H new ATOM 0 HD3 PRO A 8 24.458 6.758 -10.778 1.00 42.15 H new ATOM 100 N SER A 9 28.621 4.593 -7.910 1.00 52.14 N ATOM 101 CA SER A 9 29.123 3.513 -7.070 1.00 20.42 C ATOM 102 C SER A 9 30.569 3.772 -6.658 1.00 11.13 C ATOM 103 O SER A 9 31.412 2.878 -6.716 1.00 42.41 O ATOM 104 CB SER A 9 29.023 2.176 -7.807 1.00 60.21 C ATOM 105 OG SER A 9 28.766 1.114 -6.905 1.00 23.31 O ATOM 0 H SER A 9 29.311 5.311 -8.131 1.00 52.14 H new ATOM 0 HA SER A 9 28.509 3.471 -6.170 1.00 20.42 H new ATOM 0 HB2 SER A 9 28.228 2.226 -8.551 1.00 60.21 H new ATOM 0 HB3 SER A 9 29.951 1.984 -8.345 1.00 60.21 H new ATOM 0 HG SER A 9 28.705 0.271 -7.401 1.00 23.31 H new ATOM 111 N ASN A 10 30.847 5.003 -6.241 1.00 12.12 N ATOM 112 CA ASN A 10 32.191 5.382 -5.819 1.00 55.11 C ATOM 113 C ASN A 10 32.389 5.116 -4.330 1.00 72.50 C ATOM 114 O ASN A 10 31.431 4.858 -3.602 1.00 52.53 O ATOM 115 CB ASN A 10 32.445 6.860 -6.122 1.00 70.04 C ATOM 116 CG ASN A 10 31.345 7.757 -5.589 1.00 53.35 C ATOM 117 OD1 ASN A 10 30.950 7.651 -4.428 1.00 75.04 O ATOM 118 ND2 ASN A 10 30.844 8.647 -6.438 1.00 42.44 N ATOM 0 H ASN A 10 30.160 5.755 -6.186 1.00 12.12 H new ATOM 0 HA ASN A 10 32.905 4.775 -6.377 1.00 55.11 H new ATOM 0 HB2 ASN A 10 33.398 7.159 -5.685 1.00 70.04 H new ATOM 0 HB3 ASN A 10 32.532 6.997 -7.200 1.00 70.04 H new ATOM 0 HD21 ASN A 10 30.101 9.278 -6.136 1.00 42.44 H new ATOM 0 HD22 ASN A 10 31.202 8.700 -7.392 1.00 42.44 H new ATOM 125 N ASN A 11 33.639 5.180 -3.884 1.00 63.53 N ATOM 126 CA ASN A 11 33.964 4.945 -2.482 1.00 12.31 C ATOM 127 C ASN A 11 33.407 3.605 -2.011 1.00 40.03 C ATOM 128 O ASN A 11 32.967 3.470 -0.870 1.00 71.14 O ATOM 129 CB ASN A 11 33.408 6.075 -1.613 1.00 33.24 C ATOM 130 CG ASN A 11 33.922 7.437 -2.036 1.00 5.13 C ATOM 131 OD1 ASN A 11 33.146 8.371 -2.238 1.00 62.11 O ATOM 132 ND2 ASN A 11 35.238 7.556 -2.172 1.00 1.12 N ATOM 0 H ASN A 11 34.444 5.393 -4.473 1.00 63.53 H new ATOM 0 HA ASN A 11 35.049 4.921 -2.385 1.00 12.31 H new ATOM 0 HB2 ASN A 11 32.319 6.068 -1.666 1.00 33.24 H new ATOM 0 HB3 ASN A 11 33.678 5.895 -0.572 1.00 33.24 H new ATOM 0 HD21 ASN A 11 35.643 8.449 -2.454 1.00 1.12 H new ATOM 0 HD22 ASN A 11 35.844 6.755 -1.994 1.00 1.12 H new ATOM 139 N GLY A 12 33.431 2.616 -2.899 1.00 75.34 N ATOM 140 CA GLY A 12 32.926 1.299 -2.556 1.00 60.15 C ATOM 141 C GLY A 12 33.994 0.407 -1.955 1.00 43.23 C ATOM 142 O GLY A 12 33.688 -0.543 -1.237 1.00 75.30 O ATOM 0 H GLY A 12 33.791 2.703 -3.849 1.00 75.34 H new ATOM 0 HA2 GLY A 12 32.103 1.402 -1.849 1.00 60.15 H new ATOM 0 HA3 GLY A 12 32.521 0.824 -3.450 1.00 60.15 H new ATOM 146 N GLY A 13 35.254 0.713 -2.251 1.00 41.40 N ATOM 147 CA GLY A 13 36.352 -0.078 -1.728 1.00 22.20 C ATOM 148 C GLY A 13 37.502 0.779 -1.236 1.00 34.33 C ATOM 149 O GLY A 13 38.358 1.188 -2.019 1.00 13.53 O ATOM 0 H GLY A 13 35.533 1.495 -2.844 1.00 41.40 H new ATOM 0 HA2 GLY A 13 35.990 -0.700 -0.909 1.00 22.20 H new ATOM 0 HA3 GLY A 13 36.712 -0.752 -2.505 1.00 22.20 H new ATOM 153 N GLU A 14 37.520 1.051 0.065 1.00 13.14 N ATOM 154 CA GLU A 14 38.572 1.867 0.660 1.00 52.44 C ATOM 155 C GLU A 14 39.834 1.042 0.894 1.00 52.11 C ATOM 156 O GLU A 14 39.885 -0.141 0.562 1.00 65.25 O ATOM 157 CB GLU A 14 38.093 2.473 1.981 1.00 41.45 C ATOM 158 CG GLU A 14 36.910 3.415 1.825 1.00 23.51 C ATOM 159 CD GLU A 14 36.253 3.750 3.150 1.00 23.51 C ATOM 160 OE1 GLU A 14 36.713 4.701 3.815 1.00 12.54 O ATOM 161 OE2 GLU A 14 35.281 3.060 3.522 1.00 53.42 O ATOM 0 H GLU A 14 36.819 0.719 0.727 1.00 13.14 H new ATOM 0 HA GLU A 14 38.809 2.672 -0.036 1.00 52.44 H new ATOM 0 HB2 GLU A 14 37.818 1.668 2.662 1.00 41.45 H new ATOM 0 HB3 GLU A 14 38.919 3.014 2.444 1.00 41.45 H new ATOM 0 HG2 GLU A 14 37.244 4.336 1.346 1.00 23.51 H new ATOM 0 HG3 GLU A 14 36.173 2.960 1.163 1.00 23.51 H new ATOM 168 N GLY A 15 40.851 1.677 1.469 1.00 40.04 N ATOM 169 CA GLY A 15 42.099 0.987 1.737 1.00 4.51 C ATOM 170 C GLY A 15 42.330 0.761 3.218 1.00 12.01 C ATOM 171 O GLY A 15 41.511 1.155 4.048 1.00 51.02 O ATOM 0 H GLY A 15 40.833 2.656 1.754 1.00 40.04 H new ATOM 0 HA2 GLY A 15 42.097 0.026 1.222 1.00 4.51 H new ATOM 0 HA3 GLY A 15 42.926 1.567 1.328 1.00 4.51 H new ATOM 175 N ALA A 16 43.447 0.123 3.551 1.00 60.32 N ATOM 176 CA ALA A 16 43.783 -0.155 4.942 1.00 73.44 C ATOM 177 C ALA A 16 45.277 -0.414 5.105 1.00 53.52 C ATOM 178 O ALA A 16 46.014 -0.484 4.122 1.00 1.22 O ATOM 179 CB ALA A 16 42.981 -1.344 5.450 1.00 20.25 C ATOM 0 H ALA A 16 44.135 -0.211 2.876 1.00 60.32 H new ATOM 0 HA ALA A 16 43.527 0.723 5.535 1.00 73.44 H new ATOM 0 HB1 ALA A 16 43.241 -1.541 6.490 1.00 20.25 H new ATOM 0 HB2 ALA A 16 41.916 -1.122 5.378 1.00 20.25 H new ATOM 0 HB3 ALA A 16 43.210 -2.222 4.846 1.00 20.25 H new ATOM 185 N GLU A 17 45.716 -0.553 6.352 1.00 71.13 N ATOM 186 CA GLU A 17 47.123 -0.802 6.642 1.00 41.10 C ATOM 187 C GLU A 17 47.296 -1.375 8.046 1.00 41.33 C ATOM 188 O GLU A 17 46.319 -1.682 8.728 1.00 41.45 O ATOM 189 CB GLU A 17 47.931 0.490 6.503 1.00 25.22 C ATOM 190 CG GLU A 17 49.135 0.359 5.585 1.00 24.25 C ATOM 191 CD GLU A 17 50.262 1.300 5.964 1.00 65.03 C ATOM 192 OE1 GLU A 17 50.056 2.530 5.900 1.00 71.21 O ATOM 193 OE2 GLU A 17 51.351 0.806 6.324 1.00 25.20 O ATOM 0 H GLU A 17 45.118 -0.497 7.177 1.00 71.13 H new ATOM 0 HA GLU A 17 47.493 -1.533 5.922 1.00 41.10 H new ATOM 0 HB2 GLU A 17 47.279 1.277 6.124 1.00 25.22 H new ATOM 0 HB3 GLU A 17 48.270 0.805 7.490 1.00 25.22 H new ATOM 0 HG2 GLU A 17 49.499 -0.668 5.614 1.00 24.25 H new ATOM 0 HG3 GLU A 17 48.828 0.560 4.559 1.00 24.25 H new ATOM 200 N GLY A 18 48.548 -1.516 8.471 1.00 60.42 N ATOM 201 CA GLY A 18 48.827 -2.053 9.790 1.00 3.51 C ATOM 202 C GLY A 18 50.110 -2.860 9.828 1.00 13.23 C ATOM 203 O GLY A 18 50.359 -3.686 8.950 1.00 22.20 O ATOM 0 H GLY A 18 49.374 -1.268 7.926 1.00 60.42 H new ATOM 0 HA2 GLY A 18 48.896 -1.234 10.505 1.00 3.51 H new ATOM 0 HA3 GLY A 18 47.996 -2.683 10.106 1.00 3.51 H new ATOM 207 N THR A 19 50.928 -2.620 10.848 1.00 20.04 N ATOM 208 CA THR A 19 52.193 -3.329 10.996 1.00 10.43 C ATOM 209 C THR A 19 52.404 -3.782 12.436 1.00 3.44 C ATOM 210 O THR A 19 53.501 -3.653 12.983 1.00 74.01 O ATOM 211 CB THR A 19 53.383 -2.450 10.567 1.00 52.33 C ATOM 212 OG1 THR A 19 53.384 -1.228 11.313 1.00 53.41 O ATOM 213 CG2 THR A 19 53.318 -2.141 9.078 1.00 20.05 C ATOM 0 H THR A 19 50.737 -1.940 11.584 1.00 20.04 H new ATOM 0 HA THR A 19 52.143 -4.203 10.346 1.00 10.43 H new ATOM 0 HB THR A 19 54.303 -2.999 10.769 1.00 52.33 H new ATOM 0 HG1 THR A 19 54.145 -0.676 11.035 1.00 53.41 H new ATOM 0 HG21 THR A 19 54.168 -1.519 8.798 1.00 20.05 H new ATOM 0 HG22 THR A 19 53.347 -3.072 8.512 1.00 20.05 H new ATOM 0 HG23 THR A 19 52.392 -1.610 8.857 1.00 20.05 H new ATOM 221 N CYS A 20 51.350 -4.312 13.045 1.00 31.24 N ATOM 222 CA CYS A 20 51.420 -4.785 14.424 1.00 44.34 C ATOM 223 C CYS A 20 51.844 -3.660 15.363 1.00 73.01 C ATOM 224 O CYS A 20 52.025 -2.518 14.940 1.00 63.11 O ATOM 225 CB CYS A 20 52.400 -5.954 14.534 1.00 1.22 C ATOM 226 SG CYS A 20 51.626 -7.526 14.977 1.00 35.45 S ATOM 0 H CYS A 20 50.436 -4.425 12.606 1.00 31.24 H new ATOM 0 HA CYS A 20 50.427 -5.124 14.718 1.00 44.34 H new ATOM 0 HB2 CYS A 20 52.917 -6.071 13.582 1.00 1.22 H new ATOM 0 HB3 CYS A 20 53.157 -5.711 15.280 1.00 1.22 H new ATOM 0 HG CYS A 20 52.534 -8.453 15.043 1.00 35.45 H new ATOM 232 N LYS A 21 51.998 -3.990 16.641 1.00 71.03 N ATOM 233 CA LYS A 21 52.399 -3.009 17.642 1.00 43.23 C ATOM 234 C LYS A 21 52.709 -3.686 18.973 1.00 2.52 C ATOM 235 O LYS A 21 51.864 -4.379 19.538 1.00 23.11 O ATOM 236 CB LYS A 21 51.297 -1.964 17.833 1.00 61.53 C ATOM 237 CG LYS A 21 51.822 -0.547 17.986 1.00 31.44 C ATOM 238 CD LYS A 21 50.690 0.465 18.033 1.00 75.32 C ATOM 239 CE LYS A 21 51.189 1.842 18.442 1.00 21.45 C ATOM 240 NZ LYS A 21 50.242 2.523 19.368 1.00 74.24 N ATOM 0 H LYS A 21 51.851 -4.930 17.008 1.00 71.03 H new ATOM 0 HA LYS A 21 53.303 -2.513 17.287 1.00 43.23 H new ATOM 0 HB2 LYS A 21 50.620 -2.002 16.979 1.00 61.53 H new ATOM 0 HB3 LYS A 21 50.712 -2.223 18.715 1.00 61.53 H new ATOM 0 HG2 LYS A 21 52.415 -0.474 18.898 1.00 31.44 H new ATOM 0 HG3 LYS A 21 52.487 -0.312 17.154 1.00 31.44 H new ATOM 0 HD2 LYS A 21 50.214 0.525 17.054 1.00 75.32 H new ATOM 0 HD3 LYS A 21 49.929 0.129 18.737 1.00 75.32 H new ATOM 0 HE2 LYS A 21 52.162 1.747 18.923 1.00 21.45 H new ATOM 0 HE3 LYS A 21 51.331 2.456 17.552 1.00 21.45 H new ATOM 0 HZ1 LYS A 21 50.618 3.458 19.623 1.00 74.24 H new ATOM 0 HZ2 LYS A 21 49.320 2.637 18.900 1.00 74.24 H new ATOM 0 HZ3 LYS A 21 50.125 1.950 20.228 1.00 74.24 H new ATOM 254 N GLU A 22 53.925 -3.478 19.469 1.00 41.43 N ATOM 255 CA GLU A 22 54.345 -4.068 20.734 1.00 13.24 C ATOM 256 C GLU A 22 54.456 -3.002 21.821 1.00 23.31 C ATOM 257 O GLU A 22 55.542 -2.739 22.336 1.00 2.23 O ATOM 258 CB GLU A 22 55.686 -4.785 20.568 1.00 20.14 C ATOM 259 CG GLU A 22 56.018 -5.727 21.713 1.00 21.51 C ATOM 260 CD GLU A 22 56.481 -7.089 21.232 1.00 34.23 C ATOM 261 OE1 GLU A 22 57.644 -7.200 20.791 1.00 14.15 O ATOM 262 OE2 GLU A 22 55.679 -8.044 21.297 1.00 34.43 O ATOM 0 H GLU A 22 54.636 -2.905 19.014 1.00 41.43 H new ATOM 0 HA GLU A 22 53.589 -4.793 21.036 1.00 13.24 H new ATOM 0 HB2 GLU A 22 55.674 -5.350 19.636 1.00 20.14 H new ATOM 0 HB3 GLU A 22 56.478 -4.041 20.479 1.00 20.14 H new ATOM 0 HG2 GLU A 22 56.796 -5.280 22.332 1.00 21.51 H new ATOM 0 HG3 GLU A 22 55.138 -5.849 22.345 1.00 21.51 H new ATOM 269 N GLU A 23 53.325 -2.393 22.163 1.00 22.41 N ATOM 270 CA GLU A 23 53.296 -1.356 23.187 1.00 5.32 C ATOM 271 C GLU A 23 51.885 -1.174 23.738 1.00 21.13 C ATOM 272 O GLU A 23 50.979 -1.947 23.425 1.00 20.33 O ATOM 273 CB GLU A 23 53.807 -0.031 22.617 1.00 44.01 C ATOM 274 CG GLU A 23 54.838 0.654 23.498 1.00 25.23 C ATOM 275 CD GLU A 23 54.905 2.150 23.263 1.00 1.43 C ATOM 276 OE1 GLU A 23 54.319 2.620 22.266 1.00 52.33 O ATOM 277 OE2 GLU A 23 55.543 2.851 24.076 1.00 3.31 O ATOM 0 H GLU A 23 52.417 -2.600 21.746 1.00 22.41 H new ATOM 0 HA GLU A 23 53.948 -1.669 24.002 1.00 5.32 H new ATOM 0 HB2 GLU A 23 54.244 -0.212 21.635 1.00 44.01 H new ATOM 0 HB3 GLU A 23 52.962 0.642 22.471 1.00 44.01 H new ATOM 0 HG2 GLU A 23 54.599 0.465 24.545 1.00 25.23 H new ATOM 0 HG3 GLU A 23 55.819 0.216 23.311 1.00 25.23 H new ATOM 284 N THR A 24 51.705 -0.146 24.562 1.00 25.43 N ATOM 285 CA THR A 24 50.406 0.137 25.159 1.00 24.11 C ATOM 286 C THR A 24 49.814 1.425 24.600 1.00 13.21 C ATOM 287 O THR A 24 50.540 2.301 24.131 1.00 54.03 O ATOM 288 CB THR A 24 50.506 0.254 26.692 1.00 74.52 C ATOM 289 OG1 THR A 24 49.216 0.534 27.246 1.00 14.43 O ATOM 290 CG2 THR A 24 51.483 1.349 27.089 1.00 44.21 C ATOM 0 H THR A 24 52.443 0.504 24.831 1.00 25.43 H new ATOM 0 HA THR A 24 49.753 -0.699 24.908 1.00 24.11 H new ATOM 0 HB THR A 24 50.871 -0.695 27.084 1.00 74.52 H new ATOM 0 HG1 THR A 24 49.287 0.605 28.221 1.00 14.43 H new ATOM 0 HG21 THR A 24 51.536 1.412 28.176 1.00 44.21 H new ATOM 0 HG22 THR A 24 52.471 1.118 26.690 1.00 44.21 H new ATOM 0 HG23 THR A 24 51.143 2.303 26.686 1.00 44.21 H new ATOM 298 N ALA A 25 48.490 1.535 24.654 1.00 23.42 N ATOM 299 CA ALA A 25 47.800 2.718 24.156 1.00 65.24 C ATOM 300 C ALA A 25 46.336 2.720 24.581 1.00 21.21 C ATOM 301 O ALA A 25 45.802 1.696 25.010 1.00 22.10 O ATOM 302 CB ALA A 25 47.912 2.794 22.640 1.00 12.21 C ATOM 0 H ALA A 25 47.874 0.818 25.038 1.00 23.42 H new ATOM 0 HA ALA A 25 48.277 3.597 24.590 1.00 65.24 H new ATOM 0 HB1 ALA A 25 47.392 3.682 22.281 1.00 12.21 H new ATOM 0 HB2 ALA A 25 48.963 2.848 22.355 1.00 12.21 H new ATOM 0 HB3 ALA A 25 47.461 1.906 22.197 1.00 12.21 H new ATOM 308 N LEU A 26 45.692 3.875 24.461 1.00 54.12 N ATOM 309 CA LEU A 26 44.288 4.010 24.834 1.00 52.52 C ATOM 310 C LEU A 26 43.476 4.609 23.690 1.00 75.53 C ATOM 311 O LEU A 26 43.865 5.615 23.098 1.00 40.23 O ATOM 312 CB LEU A 26 44.153 4.885 26.082 1.00 43.25 C ATOM 313 CG LEU A 26 44.620 4.257 27.395 1.00 33.22 C ATOM 314 CD1 LEU A 26 45.030 5.335 28.387 1.00 74.34 C ATOM 315 CD2 LEU A 26 43.526 3.377 27.983 1.00 23.22 C ATOM 0 H LEU A 26 46.119 4.732 24.108 1.00 54.12 H new ATOM 0 HA LEU A 26 43.898 3.015 25.051 1.00 52.52 H new ATOM 0 HB2 LEU A 26 44.718 5.803 25.920 1.00 43.25 H new ATOM 0 HB3 LEU A 26 43.106 5.169 26.190 1.00 43.25 H new ATOM 0 HG LEU A 26 45.490 3.633 27.188 1.00 33.22 H new ATOM 0 HD11 LEU A 26 45.359 4.869 29.316 1.00 74.34 H new ATOM 0 HD12 LEU A 26 45.845 5.924 27.968 1.00 74.34 H new ATOM 0 HD13 LEU A 26 44.179 5.986 28.590 1.00 74.34 H new ATOM 0 HD21 LEU A 26 43.875 2.938 28.917 1.00 23.22 H new ATOM 0 HD22 LEU A 26 42.638 3.980 28.175 1.00 23.22 H new ATOM 0 HD23 LEU A 26 43.280 2.583 27.278 1.00 23.22 H new ATOM 327 N VAL A 27 42.343 3.983 23.385 1.00 70.05 N ATOM 328 CA VAL A 27 41.473 4.455 22.314 1.00 45.04 C ATOM 329 C VAL A 27 40.011 4.437 22.745 1.00 43.13 C ATOM 330 O VAL A 27 39.539 3.464 23.332 1.00 54.33 O ATOM 331 CB VAL A 27 41.633 3.599 21.043 1.00 41.52 C ATOM 332 CG1 VAL A 27 40.316 3.515 20.287 1.00 32.40 C ATOM 333 CG2 VAL A 27 42.731 4.165 20.155 1.00 42.03 C ATOM 0 H VAL A 27 42.006 3.148 23.865 1.00 70.05 H new ATOM 0 HA VAL A 27 41.771 5.480 22.093 1.00 45.04 H new ATOM 0 HB VAL A 27 41.920 2.590 21.339 1.00 41.52 H new ATOM 0 HG11 VAL A 27 40.448 2.907 19.392 1.00 32.40 H new ATOM 0 HG12 VAL A 27 39.558 3.061 20.926 1.00 32.40 H new ATOM 0 HG13 VAL A 27 39.996 4.517 20.000 1.00 32.40 H new ATOM 0 HG21 VAL A 27 42.831 3.548 19.262 1.00 42.03 H new ATOM 0 HG22 VAL A 27 42.476 5.184 19.866 1.00 42.03 H new ATOM 0 HG23 VAL A 27 43.675 4.168 20.701 1.00 42.03 H new ATOM 343 N ALA A 28 39.300 5.520 22.449 1.00 74.22 N ATOM 344 CA ALA A 28 37.890 5.628 22.803 1.00 31.34 C ATOM 345 C ALA A 28 36.999 5.142 21.665 1.00 13.51 C ATOM 346 O ALA A 28 37.211 5.494 20.504 1.00 33.43 O ATOM 347 CB ALA A 28 37.546 7.064 23.170 1.00 63.12 C ATOM 0 H ALA A 28 39.677 6.335 21.965 1.00 74.22 H new ATOM 0 HA ALA A 28 37.709 4.991 23.668 1.00 31.34 H new ATOM 0 HB1 ALA A 28 36.490 7.130 23.432 1.00 63.12 H new ATOM 0 HB2 ALA A 28 38.151 7.377 24.021 1.00 63.12 H new ATOM 0 HB3 ALA A 28 37.750 7.716 22.320 1.00 63.12 H new ATOM 353 N VAL A 29 36.001 4.333 22.005 1.00 71.52 N ATOM 354 CA VAL A 29 35.077 3.799 21.011 1.00 40.21 C ATOM 355 C VAL A 29 33.635 4.160 21.351 1.00 4.02 C ATOM 356 O VAL A 29 33.258 4.220 22.522 1.00 61.33 O ATOM 357 CB VAL A 29 35.198 2.268 20.897 1.00 61.13 C ATOM 358 CG1 VAL A 29 34.216 1.730 19.867 1.00 21.23 C ATOM 359 CG2 VAL A 29 36.624 1.872 20.544 1.00 73.51 C ATOM 0 H VAL A 29 35.811 4.033 22.961 1.00 71.52 H new ATOM 0 HA VAL A 29 35.346 4.249 20.055 1.00 40.21 H new ATOM 0 HB VAL A 29 34.951 1.828 21.863 1.00 61.13 H new ATOM 0 HG11 VAL A 29 34.316 0.647 19.800 1.00 21.23 H new ATOM 0 HG12 VAL A 29 33.199 1.983 20.167 1.00 21.23 H new ATOM 0 HG13 VAL A 29 34.428 2.175 18.895 1.00 21.23 H new ATOM 0 HG21 VAL A 29 36.692 0.787 20.467 1.00 73.51 H new ATOM 0 HG22 VAL A 29 36.901 2.321 19.590 1.00 73.51 H new ATOM 0 HG23 VAL A 29 37.302 2.224 21.321 1.00 73.51 H new ATOM 369 N LYS A 30 32.832 4.400 20.320 1.00 23.23 N ATOM 370 CA LYS A 30 31.430 4.753 20.508 1.00 3.40 C ATOM 371 C LYS A 30 30.549 4.046 19.484 1.00 51.24 C ATOM 372 O LYS A 30 30.653 4.296 18.283 1.00 54.14 O ATOM 373 CB LYS A 30 31.246 6.268 20.396 1.00 14.50 C ATOM 374 CG LYS A 30 29.794 6.711 20.463 1.00 22.14 C ATOM 375 CD LYS A 30 29.677 8.195 20.767 1.00 2.12 C ATOM 376 CE LYS A 30 29.216 8.979 19.548 1.00 2.00 C ATOM 377 NZ LYS A 30 28.648 10.303 19.923 1.00 53.54 N ATOM 0 H LYS A 30 33.128 4.356 19.345 1.00 23.23 H new ATOM 0 HA LYS A 30 31.129 4.429 21.504 1.00 3.40 H new ATOM 0 HB2 LYS A 30 31.803 6.753 21.198 1.00 14.50 H new ATOM 0 HB3 LYS A 30 31.678 6.610 19.456 1.00 14.50 H new ATOM 0 HG2 LYS A 30 29.302 6.493 19.515 1.00 22.14 H new ATOM 0 HG3 LYS A 30 29.273 6.139 21.231 1.00 22.14 H new ATOM 0 HD2 LYS A 30 28.973 8.345 21.585 1.00 2.12 H new ATOM 0 HD3 LYS A 30 30.642 8.576 21.102 1.00 2.12 H new ATOM 0 HE2 LYS A 30 30.057 9.123 18.870 1.00 2.00 H new ATOM 0 HE3 LYS A 30 28.466 8.402 19.007 1.00 2.00 H new ATOM 0 HZ1 LYS A 30 28.345 10.807 19.065 1.00 53.54 H new ATOM 0 HZ2 LYS A 30 27.830 10.165 20.550 1.00 53.54 H new ATOM 0 HZ3 LYS A 30 29.371 10.864 20.417 1.00 53.54 H new ATOM 391 N VAL A 31 29.680 3.163 19.966 1.00 43.00 N ATOM 392 CA VAL A 31 28.779 2.422 19.092 1.00 32.43 C ATOM 393 C VAL A 31 27.384 3.036 19.093 1.00 14.13 C ATOM 394 O VAL A 31 26.750 3.163 20.141 1.00 30.32 O ATOM 395 CB VAL A 31 28.677 0.944 19.514 1.00 23.24 C ATOM 396 CG1 VAL A 31 27.880 0.150 18.491 1.00 32.42 C ATOM 397 CG2 VAL A 31 30.064 0.347 19.701 1.00 0.15 C ATOM 0 H VAL A 31 29.581 2.944 20.957 1.00 43.00 H new ATOM 0 HA VAL A 31 29.197 2.477 18.087 1.00 32.43 H new ATOM 0 HB VAL A 31 28.152 0.892 20.468 1.00 23.24 H new ATOM 0 HG11 VAL A 31 27.819 -0.892 18.806 1.00 32.42 H new ATOM 0 HG12 VAL A 31 26.875 0.565 18.411 1.00 32.42 H new ATOM 0 HG13 VAL A 31 28.374 0.207 17.521 1.00 32.42 H new ATOM 0 HG21 VAL A 31 29.973 -0.698 19.999 1.00 0.15 H new ATOM 0 HG22 VAL A 31 30.617 0.410 18.764 1.00 0.15 H new ATOM 0 HG23 VAL A 31 30.597 0.900 20.474 1.00 0.15 H new ATOM 407 N VAL A 32 26.910 3.416 17.911 1.00 15.51 N ATOM 408 CA VAL A 32 25.588 4.017 17.775 1.00 72.33 C ATOM 409 C VAL A 32 24.616 3.058 17.095 1.00 45.20 C ATOM 410 O VAL A 32 24.993 2.316 16.189 1.00 51.11 O ATOM 411 CB VAL A 32 25.647 5.328 16.968 1.00 22.51 C ATOM 412 CG1 VAL A 32 26.611 6.310 17.616 1.00 62.14 C ATOM 413 CG2 VAL A 32 26.046 5.048 15.527 1.00 51.22 C ATOM 0 H VAL A 32 27.421 3.319 17.034 1.00 15.51 H new ATOM 0 HA VAL A 32 25.234 4.235 18.783 1.00 72.33 H new ATOM 0 HB VAL A 32 24.654 5.779 16.965 1.00 22.51 H new ATOM 0 HG11 VAL A 32 26.640 7.230 17.032 1.00 62.14 H new ATOM 0 HG12 VAL A 32 26.277 6.533 18.629 1.00 62.14 H new ATOM 0 HG13 VAL A 32 27.608 5.871 17.651 1.00 62.14 H new ATOM 0 HG21 VAL A 32 26.083 5.985 14.971 1.00 51.22 H new ATOM 0 HG22 VAL A 32 27.028 4.575 15.507 1.00 51.22 H new ATOM 0 HG23 VAL A 32 25.314 4.383 15.069 1.00 51.22 H new ATOM 423 N ASN A 33 23.364 3.080 17.539 1.00 10.11 N ATOM 424 CA ASN A 33 22.337 2.212 16.973 1.00 2.45 C ATOM 425 C ASN A 33 21.189 3.034 16.395 1.00 31.24 C ATOM 426 O ASN A 33 20.932 4.155 16.834 1.00 70.35 O ATOM 427 CB ASN A 33 21.806 1.253 18.041 1.00 42.14 C ATOM 428 CG ASN A 33 22.881 0.322 18.567 1.00 21.12 C ATOM 429 OD1 ASN A 33 22.884 -0.872 18.269 1.00 71.51 O ATOM 430 ND2 ASN A 33 23.801 0.866 19.355 1.00 12.25 N ATOM 0 H ASN A 33 23.036 3.689 18.289 1.00 10.11 H new ATOM 0 HA ASN A 33 22.788 1.634 16.167 1.00 2.45 H new ATOM 0 HB2 ASN A 33 21.391 1.829 18.868 1.00 42.14 H new ATOM 0 HB3 ASN A 33 20.991 0.663 17.623 1.00 42.14 H new ATOM 0 HD21 ASN A 33 24.549 0.289 19.739 1.00 12.25 H new ATOM 0 HD22 ASN A 33 23.760 1.861 19.576 1.00 12.25 H new ATOM 437 N ALA A 34 20.501 2.467 15.409 1.00 2.32 N ATOM 438 CA ALA A 34 19.379 3.145 14.773 1.00 52.41 C ATOM 439 C ALA A 34 18.262 3.416 15.775 1.00 54.53 C ATOM 440 O ALA A 34 17.424 4.294 15.563 1.00 5.11 O ATOM 441 CB ALA A 34 18.856 2.320 13.607 1.00 72.13 C ATOM 0 H ALA A 34 20.701 1.540 15.034 1.00 2.32 H new ATOM 0 HA ALA A 34 19.733 4.104 14.395 1.00 52.41 H new ATOM 0 HB1 ALA A 34 18.018 2.839 13.141 1.00 72.13 H new ATOM 0 HB2 ALA A 34 19.650 2.182 12.873 1.00 72.13 H new ATOM 0 HB3 ALA A 34 18.524 1.347 13.970 1.00 72.13 H new ATOM 447 N ASP A 35 18.254 2.658 16.865 1.00 22.40 N ATOM 448 CA ASP A 35 17.239 2.816 17.900 1.00 5.33 C ATOM 449 C ASP A 35 17.553 4.016 18.789 1.00 22.43 C ATOM 450 O ASP A 35 16.659 4.600 19.399 1.00 53.21 O ATOM 451 CB ASP A 35 17.144 1.548 18.749 1.00 35.32 C ATOM 452 CG ASP A 35 15.984 0.662 18.337 1.00 23.32 C ATOM 453 OD1 ASP A 35 16.073 0.030 17.264 1.00 24.42 O ATOM 454 OD2 ASP A 35 14.988 0.601 19.088 1.00 55.25 O ATOM 0 H ASP A 35 18.940 1.927 17.055 1.00 22.40 H new ATOM 0 HA ASP A 35 16.280 2.989 17.411 1.00 5.33 H new ATOM 0 HB2 ASP A 35 18.074 0.987 18.664 1.00 35.32 H new ATOM 0 HB3 ASP A 35 17.033 1.824 19.798 1.00 35.32 H new ATOM 459 N GLY A 36 18.831 4.376 18.859 1.00 41.31 N ATOM 460 CA GLY A 36 19.240 5.503 19.677 1.00 44.12 C ATOM 461 C GLY A 36 20.275 5.120 20.716 1.00 64.22 C ATOM 462 O GLY A 36 21.212 5.874 20.976 1.00 0.23 O ATOM 0 H GLY A 36 19.590 3.908 18.364 1.00 41.31 H new ATOM 0 HA2 GLY A 36 19.646 6.285 19.036 1.00 44.12 H new ATOM 0 HA3 GLY A 36 18.366 5.922 20.176 1.00 44.12 H new ATOM 466 N ALA A 37 20.106 3.944 21.312 1.00 14.32 N ATOM 467 CA ALA A 37 21.033 3.462 22.328 1.00 12.34 C ATOM 468 C ALA A 37 22.474 3.535 21.835 1.00 30.23 C ATOM 469 O ALA A 37 22.806 2.996 20.780 1.00 53.32 O ATOM 470 CB ALA A 37 20.681 2.037 22.730 1.00 5.51 C ATOM 0 H ALA A 37 19.335 3.308 21.108 1.00 14.32 H new ATOM 0 HA ALA A 37 20.943 4.107 23.202 1.00 12.34 H new ATOM 0 HB1 ALA A 37 21.381 1.690 23.489 1.00 5.51 H new ATOM 0 HB2 ALA A 37 19.668 2.012 23.132 1.00 5.51 H new ATOM 0 HB3 ALA A 37 20.741 1.387 21.857 1.00 5.51 H new ATOM 476 N GLU A 38 23.325 4.205 22.606 1.00 64.41 N ATOM 477 CA GLU A 38 24.731 4.348 22.245 1.00 51.10 C ATOM 478 C GLU A 38 25.634 3.986 23.420 1.00 1.14 C ATOM 479 O GLU A 38 25.273 4.188 24.579 1.00 0.34 O ATOM 480 CB GLU A 38 25.019 5.780 21.788 1.00 64.51 C ATOM 481 CG GLU A 38 25.077 6.783 22.928 1.00 61.42 C ATOM 482 CD GLU A 38 23.749 6.927 23.645 1.00 10.41 C ATOM 483 OE1 GLU A 38 22.720 7.098 22.958 1.00 31.51 O ATOM 484 OE2 GLU A 38 23.738 6.871 24.892 1.00 5.04 O ATOM 0 H GLU A 38 23.066 4.657 23.483 1.00 64.41 H new ATOM 0 HA GLU A 38 24.941 3.663 21.424 1.00 51.10 H new ATOM 0 HB2 GLU A 38 25.968 5.797 21.252 1.00 64.51 H new ATOM 0 HB3 GLU A 38 24.248 6.089 21.082 1.00 64.51 H new ATOM 0 HG2 GLU A 38 25.840 6.472 23.642 1.00 61.42 H new ATOM 0 HG3 GLU A 38 25.382 7.754 22.538 1.00 61.42 H new ATOM 491 N MET A 39 26.810 3.449 23.112 1.00 41.20 N ATOM 492 CA MET A 39 27.766 3.059 24.142 1.00 14.33 C ATOM 493 C MET A 39 29.148 3.633 23.847 1.00 12.12 C ATOM 494 O MET A 39 29.823 3.203 22.912 1.00 73.42 O ATOM 495 CB MET A 39 27.845 1.535 24.244 1.00 35.12 C ATOM 496 CG MET A 39 27.997 1.028 25.669 1.00 10.12 C ATOM 497 SD MET A 39 29.443 1.714 26.499 1.00 10.45 S ATOM 498 CE MET A 39 30.760 1.086 25.461 1.00 52.14 C ATOM 0 H MET A 39 27.124 3.274 22.157 1.00 41.20 H new ATOM 0 HA MET A 39 27.421 3.462 25.094 1.00 14.33 H new ATOM 0 HB2 MET A 39 26.945 1.103 23.807 1.00 35.12 H new ATOM 0 HB3 MET A 39 28.688 1.183 23.650 1.00 35.12 H new ATOM 0 HG2 MET A 39 27.102 1.281 26.238 1.00 10.12 H new ATOM 0 HG3 MET A 39 28.071 -0.059 25.658 1.00 10.12 H new ATOM 0 HE1 MET A 39 31.577 0.727 26.087 1.00 52.14 H new ATOM 0 HE2 MET A 39 30.383 0.265 24.851 1.00 52.14 H new ATOM 0 HE3 MET A 39 31.123 1.883 24.812 1.00 52.14 H new ATOM 508 N PHE A 40 29.563 4.607 24.650 1.00 1.12 N ATOM 509 CA PHE A 40 30.865 5.241 24.474 1.00 74.42 C ATOM 510 C PHE A 40 31.732 5.056 25.715 1.00 23.33 C ATOM 511 O PHE A 40 31.306 5.347 26.833 1.00 23.42 O ATOM 512 CB PHE A 40 30.693 6.731 24.175 1.00 44.50 C ATOM 513 CG PHE A 40 29.955 7.477 25.249 1.00 14.21 C ATOM 514 CD1 PHE A 40 28.572 7.425 25.322 1.00 71.44 C ATOM 515 CD2 PHE A 40 30.643 8.230 26.187 1.00 54.43 C ATOM 516 CE1 PHE A 40 27.890 8.111 26.309 1.00 74.44 C ATOM 517 CE2 PHE A 40 29.966 8.918 27.176 1.00 12.23 C ATOM 518 CZ PHE A 40 28.587 8.857 27.238 1.00 44.32 C ATOM 0 H PHE A 40 29.017 4.975 25.429 1.00 1.12 H new ATOM 0 HA PHE A 40 31.363 4.763 23.630 1.00 74.42 H new ATOM 0 HB2 PHE A 40 31.676 7.182 24.041 1.00 44.50 H new ATOM 0 HB3 PHE A 40 30.158 6.845 23.232 1.00 44.50 H new ATOM 0 HD1 PHE A 40 28.021 6.842 24.599 1.00 71.44 H new ATOM 0 HD2 PHE A 40 31.721 8.280 26.145 1.00 54.43 H new ATOM 0 HE1 PHE A 40 26.812 8.063 26.353 1.00 74.44 H new ATOM 0 HE2 PHE A 40 30.514 9.503 27.900 1.00 12.23 H new ATOM 0 HZ PHE A 40 28.056 9.392 28.011 1.00 44.32 H new ATOM 528 N PHE A 41 32.952 4.569 25.510 1.00 12.13 N ATOM 529 CA PHE A 41 33.880 4.343 26.612 1.00 11.22 C ATOM 530 C PHE A 41 35.318 4.278 26.107 1.00 3.30 C ATOM 531 O PHE A 41 35.562 4.053 24.921 1.00 35.24 O ATOM 532 CB PHE A 41 33.527 3.048 27.347 1.00 13.52 C ATOM 533 CG PHE A 41 33.985 3.027 28.777 1.00 23.23 C ATOM 534 CD1 PHE A 41 33.421 3.879 29.713 1.00 43.45 C ATOM 535 CD2 PHE A 41 34.981 2.154 29.186 1.00 11.22 C ATOM 536 CE1 PHE A 41 33.841 3.862 31.029 1.00 33.25 C ATOM 537 CE2 PHE A 41 35.404 2.132 30.502 1.00 61.23 C ATOM 538 CZ PHE A 41 34.834 2.987 31.424 1.00 2.42 C ATOM 0 H PHE A 41 33.321 4.323 24.591 1.00 12.13 H new ATOM 0 HA PHE A 41 33.794 5.181 27.304 1.00 11.22 H new ATOM 0 HB2 PHE A 41 32.447 2.906 27.318 1.00 13.52 H new ATOM 0 HB3 PHE A 41 33.974 2.206 26.818 1.00 13.52 H new ATOM 0 HD1 PHE A 41 32.644 4.565 29.410 1.00 43.45 H new ATOM 0 HD2 PHE A 41 35.431 1.484 28.469 1.00 11.22 H new ATOM 0 HE1 PHE A 41 33.393 4.532 31.748 1.00 33.25 H new ATOM 0 HE2 PHE A 41 36.180 1.446 30.809 1.00 61.23 H new ATOM 0 HZ PHE A 41 35.164 2.972 32.452 1.00 2.42 H new ATOM 548 N ARG A 42 36.268 4.478 27.015 1.00 13.33 N ATOM 549 CA ARG A 42 37.682 4.445 26.663 1.00 72.55 C ATOM 550 C ARG A 42 38.306 3.105 27.044 1.00 55.21 C ATOM 551 O ARG A 42 38.274 2.703 28.208 1.00 54.55 O ATOM 552 CB ARG A 42 38.430 5.584 27.357 1.00 31.22 C ATOM 553 CG ARG A 42 39.666 6.049 26.605 1.00 61.41 C ATOM 554 CD ARG A 42 40.135 7.411 27.091 1.00 12.13 C ATOM 555 NE ARG A 42 40.775 7.334 28.402 1.00 72.02 N ATOM 556 CZ ARG A 42 41.111 8.400 29.119 1.00 14.15 C ATOM 557 NH1 ARG A 42 40.868 9.618 28.656 1.00 0.52 N ATOM 558 NH2 ARG A 42 41.690 8.249 30.304 1.00 72.43 N ATOM 0 H ARG A 42 36.083 4.665 28.001 1.00 13.33 H new ATOM 0 HA ARG A 42 37.764 4.571 25.583 1.00 72.55 H new ATOM 0 HB2 ARG A 42 37.753 6.429 27.483 1.00 31.22 H new ATOM 0 HB3 ARG A 42 38.723 5.259 28.355 1.00 31.22 H new ATOM 0 HG2 ARG A 42 40.467 5.320 26.733 1.00 61.41 H new ATOM 0 HG3 ARG A 42 39.447 6.098 25.538 1.00 61.41 H new ATOM 0 HD2 ARG A 42 40.836 7.832 26.370 1.00 12.13 H new ATOM 0 HD3 ARG A 42 39.284 8.090 27.142 1.00 12.13 H new ATOM 0 HE ARG A 42 40.975 6.411 28.788 1.00 72.02 H new ATOM 0 HH11 ARG A 42 40.422 9.738 27.747 1.00 0.52 H new ATOM 0 HH12 ARG A 42 41.127 10.435 29.209 1.00 0.52 H new ATOM 0 HH21 ARG A 42 41.877 7.313 30.665 1.00 72.43 H new ATOM 0 HH22 ARG A 42 41.948 9.069 30.854 1.00 72.43 H new ATOM 572 N ILE A 43 38.871 2.419 26.056 1.00 1.35 N ATOM 573 CA ILE A 43 39.502 1.126 26.289 1.00 42.10 C ATOM 574 C ILE A 43 40.774 0.978 25.460 1.00 34.12 C ATOM 575 O ILE A 43 40.905 1.576 24.392 1.00 22.20 O ATOM 576 CB ILE A 43 38.547 -0.035 25.955 1.00 52.21 C ATOM 577 CG1 ILE A 43 37.183 0.193 26.611 1.00 44.13 C ATOM 578 CG2 ILE A 43 39.144 -1.359 26.407 1.00 13.05 C ATOM 579 CD1 ILE A 43 36.218 0.970 25.743 1.00 0.45 C ATOM 0 H ILE A 43 38.905 2.737 25.087 1.00 1.35 H new ATOM 0 HA ILE A 43 39.754 1.084 27.349 1.00 42.10 H new ATOM 0 HB ILE A 43 38.408 -0.072 24.875 1.00 52.21 H new ATOM 0 HG12 ILE A 43 36.741 -0.773 26.857 1.00 44.13 H new ATOM 0 HG13 ILE A 43 37.325 0.727 27.550 1.00 44.13 H new ATOM 0 HG21 ILE A 43 38.457 -2.170 26.164 1.00 13.05 H new ATOM 0 HG22 ILE A 43 40.094 -1.523 25.897 1.00 13.05 H new ATOM 0 HG23 ILE A 43 39.310 -1.335 27.484 1.00 13.05 H new ATOM 0 HD11 ILE A 43 35.273 1.094 26.271 1.00 0.45 H new ATOM 0 HD12 ILE A 43 36.639 1.950 25.518 1.00 0.45 H new ATOM 0 HD13 ILE A 43 36.046 0.427 24.814 1.00 0.45 H new ATOM 591 N LYS A 44 41.708 0.175 25.959 1.00 51.34 N ATOM 592 CA LYS A 44 42.969 -0.056 25.264 1.00 51.41 C ATOM 593 C LYS A 44 42.724 -0.508 23.828 1.00 61.00 C ATOM 594 O LYS A 44 41.873 -1.359 23.572 1.00 74.20 O ATOM 595 CB LYS A 44 43.799 -1.105 26.006 1.00 30.42 C ATOM 596 CG LYS A 44 44.944 -0.517 26.812 1.00 44.14 C ATOM 597 CD LYS A 44 46.293 -0.917 26.238 1.00 61.53 C ATOM 598 CE LYS A 44 46.584 -2.391 26.475 1.00 23.41 C ATOM 599 NZ LYS A 44 47.555 -2.593 27.586 1.00 31.04 N ATOM 0 H LYS A 44 41.615 -0.327 26.842 1.00 51.34 H new ATOM 0 HA LYS A 44 43.520 0.884 25.241 1.00 51.41 H new ATOM 0 HB2 LYS A 44 43.146 -1.666 26.674 1.00 30.42 H new ATOM 0 HB3 LYS A 44 44.202 -1.815 25.283 1.00 30.42 H new ATOM 0 HG2 LYS A 44 44.861 0.570 26.825 1.00 44.14 H new ATOM 0 HG3 LYS A 44 44.873 -0.854 27.846 1.00 44.14 H new ATOM 0 HD2 LYS A 44 46.311 -0.709 25.168 1.00 61.53 H new ATOM 0 HD3 LYS A 44 47.077 -0.312 26.693 1.00 61.53 H new ATOM 0 HE2 LYS A 44 45.655 -2.912 26.706 1.00 23.41 H new ATOM 0 HE3 LYS A 44 46.980 -2.834 25.561 1.00 23.41 H new ATOM 0 HZ1 LYS A 44 47.727 -3.610 27.716 1.00 31.04 H new ATOM 0 HZ2 LYS A 44 48.451 -2.117 27.355 1.00 31.04 H new ATOM 0 HZ3 LYS A 44 47.167 -2.193 28.464 1.00 31.04 H new ATOM 613 N SER A 45 43.477 0.066 22.895 1.00 61.10 N ATOM 614 CA SER A 45 43.340 -0.277 21.484 1.00 31.13 C ATOM 615 C SER A 45 43.433 -1.786 21.281 1.00 72.34 C ATOM 616 O SER A 45 42.866 -2.332 20.333 1.00 4.24 O ATOM 617 CB SER A 45 44.418 0.428 20.659 1.00 23.31 C ATOM 618 OG SER A 45 45.519 0.800 21.470 1.00 22.21 O ATOM 0 H SER A 45 44.188 0.771 23.091 1.00 61.10 H new ATOM 0 HA SER A 45 42.359 0.058 21.147 1.00 31.13 H new ATOM 0 HB2 SER A 45 44.757 -0.231 19.860 1.00 23.31 H new ATOM 0 HB3 SER A 45 43.996 1.314 20.185 1.00 23.31 H new ATOM 0 HG SER A 45 46.331 0.361 21.141 1.00 22.21 H new ATOM 624 N ARG A 46 44.151 -2.455 22.177 1.00 44.33 N ATOM 625 CA ARG A 46 44.320 -3.901 22.096 1.00 44.43 C ATOM 626 C ARG A 46 42.972 -4.598 21.946 1.00 34.11 C ATOM 627 O ARG A 46 42.796 -5.457 21.081 1.00 25.34 O ATOM 628 CB ARG A 46 45.041 -4.422 23.340 1.00 11.35 C ATOM 629 CG ARG A 46 45.320 -5.915 23.302 1.00 65.32 C ATOM 630 CD ARG A 46 46.128 -6.299 22.072 1.00 71.23 C ATOM 631 NE ARG A 46 47.422 -5.623 22.034 1.00 70.45 N ATOM 632 CZ ARG A 46 48.308 -5.788 21.058 1.00 43.53 C ATOM 633 NH1 ARG A 46 48.041 -6.600 20.045 1.00 62.31 N ATOM 634 NH2 ARG A 46 49.464 -5.137 21.094 1.00 64.43 N ATOM 0 H ARG A 46 44.625 -2.019 22.968 1.00 44.33 H new ATOM 0 HA ARG A 46 44.924 -4.123 21.216 1.00 44.43 H new ATOM 0 HB2 ARG A 46 45.984 -3.888 23.453 1.00 11.35 H new ATOM 0 HB3 ARG A 46 44.439 -4.196 24.220 1.00 11.35 H new ATOM 0 HG2 ARG A 46 45.862 -6.208 24.201 1.00 65.32 H new ATOM 0 HG3 ARG A 46 44.378 -6.463 23.305 1.00 65.32 H new ATOM 0 HD2 ARG A 46 46.282 -7.378 22.062 1.00 71.23 H new ATOM 0 HD3 ARG A 46 45.562 -6.050 21.174 1.00 71.23 H new ATOM 0 HE ARG A 46 47.658 -4.990 22.798 1.00 70.45 H new ATOM 0 HH11 ARG A 46 47.153 -7.101 20.013 1.00 62.31 H new ATOM 0 HH12 ARG A 46 48.724 -6.724 19.297 1.00 62.31 H new ATOM 0 HH21 ARG A 46 49.672 -4.510 21.871 1.00 64.43 H new ATOM 0 HH22 ARG A 46 50.144 -5.264 20.345 1.00 64.43 H new ATOM 648 N THR A 47 42.020 -4.223 22.795 1.00 33.12 N ATOM 649 CA THR A 47 40.688 -4.813 22.759 1.00 34.02 C ATOM 650 C THR A 47 39.623 -3.791 23.140 1.00 50.40 C ATOM 651 O THR A 47 39.851 -2.930 23.989 1.00 44.40 O ATOM 652 CB THR A 47 40.583 -6.023 23.707 1.00 62.14 C ATOM 653 OG1 THR A 47 41.788 -6.794 23.651 1.00 64.43 O ATOM 654 CG2 THR A 47 39.396 -6.900 23.336 1.00 5.31 C ATOM 0 H THR A 47 42.147 -3.513 23.516 1.00 33.12 H new ATOM 0 HA THR A 47 40.519 -5.147 21.735 1.00 34.02 H new ATOM 0 HB THR A 47 40.436 -5.651 24.721 1.00 62.14 H new ATOM 0 HG1 THR A 47 41.714 -7.560 24.257 1.00 64.43 H new ATOM 0 HG21 THR A 47 39.342 -7.748 24.019 1.00 5.31 H new ATOM 0 HG22 THR A 47 38.477 -6.318 23.407 1.00 5.31 H new ATOM 0 HG23 THR A 47 39.517 -7.263 22.316 1.00 5.31 H new ATOM 662 N ALA A 48 38.459 -3.892 22.507 1.00 12.20 N ATOM 663 CA ALA A 48 37.358 -2.977 22.782 1.00 33.10 C ATOM 664 C ALA A 48 36.087 -3.415 22.061 1.00 2.14 C ATOM 665 O ALA A 48 35.020 -3.514 22.668 1.00 53.50 O ATOM 666 CB ALA A 48 37.735 -1.560 22.377 1.00 41.14 C ATOM 0 H ALA A 48 38.254 -4.598 21.800 1.00 12.20 H new ATOM 0 HA ALA A 48 37.162 -2.996 23.854 1.00 33.10 H new ATOM 0 HB1 ALA A 48 36.903 -0.888 22.588 1.00 41.14 H new ATOM 0 HB2 ALA A 48 38.611 -1.241 22.941 1.00 41.14 H new ATOM 0 HB3 ALA A 48 37.961 -1.534 21.311 1.00 41.14 H new ATOM 672 N LEU A 49 36.208 -3.676 20.765 1.00 44.25 N ATOM 673 CA LEU A 49 35.069 -4.103 19.960 1.00 14.13 C ATOM 674 C LEU A 49 34.565 -5.470 20.412 1.00 64.22 C ATOM 675 O LEU A 49 33.377 -5.774 20.303 1.00 1.31 O ATOM 676 CB LEU A 49 35.453 -4.151 18.480 1.00 21.55 C ATOM 677 CG LEU A 49 34.651 -3.243 17.548 1.00 12.14 C ATOM 678 CD1 LEU A 49 33.160 -3.400 17.803 1.00 12.33 C ATOM 679 CD2 LEU A 49 35.074 -1.792 17.724 1.00 50.33 C ATOM 0 H LEU A 49 37.084 -3.599 20.248 1.00 44.25 H new ATOM 0 HA LEU A 49 34.267 -3.377 20.096 1.00 14.13 H new ATOM 0 HB2 LEU A 49 36.507 -3.889 18.390 1.00 21.55 H new ATOM 0 HB3 LEU A 49 35.349 -5.179 18.132 1.00 21.55 H new ATOM 0 HG LEU A 49 34.856 -3.538 16.519 1.00 12.14 H new ATOM 0 HD11 LEU A 49 32.605 -2.746 17.130 1.00 12.33 H new ATOM 0 HD12 LEU A 49 32.868 -4.435 17.626 1.00 12.33 H new ATOM 0 HD13 LEU A 49 32.937 -3.132 18.836 1.00 12.33 H new ATOM 0 HD21 LEU A 49 34.493 -1.160 17.053 1.00 50.33 H new ATOM 0 HD22 LEU A 49 34.899 -1.484 18.755 1.00 50.33 H new ATOM 0 HD23 LEU A 49 36.134 -1.691 17.491 1.00 50.33 H new ATOM 691 N LYS A 50 35.477 -6.292 20.921 1.00 41.11 N ATOM 692 CA LYS A 50 35.127 -7.626 21.393 1.00 73.20 C ATOM 693 C LYS A 50 34.166 -7.550 22.576 1.00 64.13 C ATOM 694 O LYS A 50 33.106 -8.176 22.569 1.00 23.14 O ATOM 695 CB LYS A 50 36.388 -8.395 21.795 1.00 54.23 C ATOM 696 CG LYS A 50 37.438 -8.456 20.699 1.00 74.10 C ATOM 697 CD LYS A 50 37.737 -9.889 20.293 1.00 73.42 C ATOM 698 CE LYS A 50 38.393 -10.664 21.425 1.00 24.11 C ATOM 699 NZ LYS A 50 39.524 -11.504 20.940 1.00 12.42 N ATOM 0 H LYS A 50 36.465 -6.057 21.017 1.00 41.11 H new ATOM 0 HA LYS A 50 34.632 -8.154 20.578 1.00 73.20 H new ATOM 0 HB2 LYS A 50 36.823 -7.927 22.678 1.00 54.23 H new ATOM 0 HB3 LYS A 50 36.110 -9.410 22.077 1.00 54.23 H new ATOM 0 HG2 LYS A 50 37.092 -7.895 19.831 1.00 74.10 H new ATOM 0 HG3 LYS A 50 38.354 -7.976 21.044 1.00 74.10 H new ATOM 0 HD2 LYS A 50 36.812 -10.385 19.999 1.00 73.42 H new ATOM 0 HD3 LYS A 50 38.392 -9.892 19.421 1.00 73.42 H new ATOM 0 HE2 LYS A 50 38.756 -9.967 22.180 1.00 24.11 H new ATOM 0 HE3 LYS A 50 37.650 -11.299 21.909 1.00 24.11 H new ATOM 0 HZ1 LYS A 50 39.945 -12.016 21.741 1.00 12.42 H new ATOM 0 HZ2 LYS A 50 39.173 -12.187 20.238 1.00 12.42 H new ATOM 0 HZ3 LYS A 50 40.245 -10.896 20.501 1.00 12.42 H new ATOM 713 N LYS A 51 34.544 -6.778 23.589 1.00 35.34 N ATOM 714 CA LYS A 51 33.715 -6.617 24.778 1.00 22.45 C ATOM 715 C LYS A 51 32.486 -5.767 24.474 1.00 32.32 C ATOM 716 O LYS A 51 31.441 -5.920 25.108 1.00 13.52 O ATOM 717 CB LYS A 51 34.526 -5.975 25.907 1.00 73.43 C ATOM 718 CG LYS A 51 34.261 -6.588 27.271 1.00 72.51 C ATOM 719 CD LYS A 51 34.987 -5.834 28.372 1.00 62.12 C ATOM 720 CE LYS A 51 35.207 -6.710 29.596 1.00 43.31 C ATOM 721 NZ LYS A 51 35.989 -6.004 30.649 1.00 20.50 N ATOM 0 H LYS A 51 35.419 -6.254 23.611 1.00 35.34 H new ATOM 0 HA LYS A 51 33.382 -7.605 25.094 1.00 22.45 H new ATOM 0 HB2 LYS A 51 35.588 -6.066 25.677 1.00 73.43 H new ATOM 0 HB3 LYS A 51 34.298 -4.910 25.946 1.00 73.43 H new ATOM 0 HG2 LYS A 51 33.190 -6.583 27.471 1.00 72.51 H new ATOM 0 HG3 LYS A 51 34.581 -7.630 27.271 1.00 72.51 H new ATOM 0 HD2 LYS A 51 35.948 -5.480 27.999 1.00 62.12 H new ATOM 0 HD3 LYS A 51 34.410 -4.953 28.653 1.00 62.12 H new ATOM 0 HE2 LYS A 51 34.243 -7.015 30.003 1.00 43.31 H new ATOM 0 HE3 LYS A 51 35.731 -7.619 29.302 1.00 43.31 H new ATOM 0 HZ1 LYS A 51 36.118 -6.634 31.467 1.00 20.50 H new ATOM 0 HZ2 LYS A 51 36.919 -5.735 30.269 1.00 20.50 H new ATOM 0 HZ3 LYS A 51 35.477 -5.150 30.948 1.00 20.50 H new ATOM 735 N LEU A 52 32.617 -4.874 23.500 1.00 14.52 N ATOM 736 CA LEU A 52 31.515 -4.000 23.111 1.00 42.15 C ATOM 737 C LEU A 52 30.372 -4.804 22.499 1.00 65.01 C ATOM 738 O LEU A 52 29.225 -4.701 22.934 1.00 3.33 O ATOM 739 CB LEU A 52 32.002 -2.946 22.115 1.00 42.32 C ATOM 740 CG LEU A 52 32.198 -1.535 22.672 1.00 32.44 C ATOM 741 CD1 LEU A 52 33.218 -1.544 23.800 1.00 45.12 C ATOM 742 CD2 LEU A 52 32.628 -0.580 21.568 1.00 33.35 C ATOM 0 H LEU A 52 33.474 -4.736 22.965 1.00 14.52 H new ATOM 0 HA LEU A 52 31.145 -3.502 24.007 1.00 42.15 H new ATOM 0 HB2 LEU A 52 32.949 -3.283 21.694 1.00 42.32 H new ATOM 0 HB3 LEU A 52 31.288 -2.894 21.293 1.00 42.32 H new ATOM 0 HG LEU A 52 31.246 -1.188 23.073 1.00 32.44 H new ATOM 0 HD11 LEU A 52 33.345 -0.532 24.184 1.00 45.12 H new ATOM 0 HD12 LEU A 52 32.869 -2.195 24.601 1.00 45.12 H new ATOM 0 HD13 LEU A 52 34.173 -1.912 23.424 1.00 45.12 H new ATOM 0 HD21 LEU A 52 32.763 0.419 21.983 1.00 33.35 H new ATOM 0 HD22 LEU A 52 33.568 -0.923 21.136 1.00 33.35 H new ATOM 0 HD23 LEU A 52 31.862 -0.551 20.793 1.00 33.35 H new ATOM 754 N ILE A 53 30.694 -5.606 21.489 1.00 2.24 N ATOM 755 CA ILE A 53 29.695 -6.430 20.821 1.00 41.03 C ATOM 756 C ILE A 53 29.253 -7.588 21.710 1.00 42.45 C ATOM 757 O ILE A 53 28.106 -8.030 21.646 1.00 41.03 O ATOM 758 CB ILE A 53 30.229 -6.994 19.491 1.00 51.44 C ATOM 759 CG1 ILE A 53 29.148 -7.820 18.791 1.00 32.34 C ATOM 760 CG2 ILE A 53 31.473 -7.835 19.733 1.00 31.11 C ATOM 761 CD1 ILE A 53 29.539 -8.276 17.403 1.00 21.32 C ATOM 0 H ILE A 53 31.638 -5.702 21.116 1.00 2.24 H new ATOM 0 HA ILE A 53 28.840 -5.785 20.616 1.00 41.03 H new ATOM 0 HB ILE A 53 30.499 -6.160 18.843 1.00 51.44 H new ATOM 0 HG12 ILE A 53 28.919 -8.694 19.400 1.00 32.34 H new ATOM 0 HG13 ILE A 53 28.235 -7.228 18.726 1.00 32.34 H new ATOM 0 HG21 ILE A 53 31.838 -8.226 18.783 1.00 31.11 H new ATOM 0 HG22 ILE A 53 32.245 -7.218 20.192 1.00 31.11 H new ATOM 0 HG23 ILE A 53 31.228 -8.664 20.397 1.00 31.11 H new ATOM 0 HD11 ILE A 53 28.725 -8.856 16.968 1.00 21.32 H new ATOM 0 HD12 ILE A 53 29.740 -7.406 16.777 1.00 21.32 H new ATOM 0 HD13 ILE A 53 30.434 -8.895 17.462 1.00 21.32 H new ATOM 773 N ASP A 54 30.170 -8.073 22.539 1.00 4.31 N ATOM 774 CA ASP A 54 29.875 -9.177 23.444 1.00 20.41 C ATOM 775 C ASP A 54 28.959 -8.723 24.576 1.00 50.30 C ATOM 776 O ASP A 54 28.032 -9.434 24.963 1.00 34.44 O ATOM 777 CB ASP A 54 31.170 -9.754 24.019 1.00 12.44 C ATOM 778 CG ASP A 54 30.924 -10.965 24.897 1.00 5.15 C ATOM 779 OD1 ASP A 54 30.569 -10.778 26.080 1.00 41.23 O ATOM 780 OD2 ASP A 54 31.089 -12.100 24.403 1.00 53.13 O ATOM 0 H ASP A 54 31.124 -7.719 22.603 1.00 4.31 H new ATOM 0 HA ASP A 54 29.362 -9.953 22.875 1.00 20.41 H new ATOM 0 HB2 ASP A 54 31.836 -10.031 23.201 1.00 12.44 H new ATOM 0 HB3 ASP A 54 31.681 -8.986 24.599 1.00 12.44 H new ATOM 785 N THR A 55 29.225 -7.532 25.104 1.00 25.13 N ATOM 786 CA THR A 55 28.427 -6.983 26.193 1.00 23.11 C ATOM 787 C THR A 55 27.070 -6.503 25.692 1.00 41.11 C ATOM 788 O THR A 55 26.054 -6.668 26.367 1.00 20.34 O ATOM 789 CB THR A 55 29.150 -5.812 26.884 1.00 3.24 C ATOM 790 OG1 THR A 55 30.383 -6.265 27.454 1.00 4.11 O ATOM 791 CG2 THR A 55 28.277 -5.203 27.971 1.00 3.22 C ATOM 0 H THR A 55 29.987 -6.929 24.795 1.00 25.13 H new ATOM 0 HA THR A 55 28.281 -7.787 26.915 1.00 23.11 H new ATOM 0 HB THR A 55 29.356 -5.048 26.134 1.00 3.24 H new ATOM 0 HG1 THR A 55 31.048 -6.384 26.744 1.00 4.11 H new ATOM 0 HG21 THR A 55 28.809 -4.378 28.445 1.00 3.22 H new ATOM 0 HG22 THR A 55 27.352 -4.833 27.530 1.00 3.22 H new ATOM 0 HG23 THR A 55 28.044 -5.962 28.718 1.00 3.22 H new ATOM 799 N TYR A 56 27.060 -5.909 24.504 1.00 11.41 N ATOM 800 CA TYR A 56 25.827 -5.403 23.913 1.00 13.31 C ATOM 801 C TYR A 56 24.905 -6.550 23.511 1.00 53.20 C ATOM 802 O TYR A 56 23.699 -6.508 23.758 1.00 12.32 O ATOM 803 CB TYR A 56 26.140 -4.534 22.694 1.00 53.22 C ATOM 804 CG TYR A 56 25.070 -3.510 22.389 1.00 34.00 C ATOM 805 CD1 TYR A 56 23.771 -3.902 22.089 1.00 34.35 C ATOM 806 CD2 TYR A 56 25.357 -2.151 22.400 1.00 43.15 C ATOM 807 CE1 TYR A 56 22.790 -2.971 21.810 1.00 53.33 C ATOM 808 CE2 TYR A 56 24.382 -1.212 22.122 1.00 24.25 C ATOM 809 CZ TYR A 56 23.100 -1.627 21.828 1.00 43.11 C ATOM 810 OH TYR A 56 22.127 -0.695 21.550 1.00 73.01 O ATOM 0 H TYR A 56 27.892 -5.766 23.931 1.00 11.41 H new ATOM 0 HA TYR A 56 25.317 -4.797 24.662 1.00 13.31 H new ATOM 0 HB2 TYR A 56 27.087 -4.020 22.859 1.00 53.22 H new ATOM 0 HB3 TYR A 56 26.274 -5.177 21.824 1.00 53.22 H new ATOM 0 HD1 TYR A 56 23.524 -4.953 22.074 1.00 34.35 H new ATOM 0 HD2 TYR A 56 26.360 -1.822 22.630 1.00 43.15 H new ATOM 0 HE1 TYR A 56 21.785 -3.293 21.579 1.00 53.33 H new ATOM 0 HE2 TYR A 56 24.623 -0.159 22.135 1.00 24.25 H new ATOM 0 HH TYR A 56 21.573 -0.554 22.346 1.00 73.01 H new ATOM 820 N CYS A 57 25.481 -7.573 22.891 1.00 71.34 N ATOM 821 CA CYS A 57 24.712 -8.733 22.453 1.00 23.32 C ATOM 822 C CYS A 57 24.226 -9.546 23.649 1.00 44.10 C ATOM 823 O CYS A 57 23.065 -9.950 23.708 1.00 20.33 O ATOM 824 CB CYS A 57 25.558 -9.614 21.532 1.00 2.14 C ATOM 825 SG CYS A 57 25.753 -8.958 19.859 1.00 65.33 S ATOM 0 H CYS A 57 26.478 -7.624 22.680 1.00 71.34 H new ATOM 0 HA CYS A 57 23.842 -8.375 21.902 1.00 23.32 H new ATOM 0 HB2 CYS A 57 26.544 -9.744 21.977 1.00 2.14 H new ATOM 0 HB3 CYS A 57 25.102 -10.602 21.472 1.00 2.14 H new ATOM 0 HG CYS A 57 24.601 -8.955 19.257 1.00 65.33 H new ATOM 831 N LYS A 58 25.123 -9.783 24.600 1.00 64.40 N ATOM 832 CA LYS A 58 24.788 -10.548 25.795 1.00 31.31 C ATOM 833 C LYS A 58 23.744 -9.818 26.633 1.00 13.33 C ATOM 834 O LYS A 58 22.809 -10.430 27.151 1.00 0.50 O ATOM 835 CB LYS A 58 26.043 -10.802 26.633 1.00 44.43 C ATOM 836 CG LYS A 58 25.856 -11.860 27.706 1.00 75.25 C ATOM 837 CD LYS A 58 27.089 -12.736 27.847 1.00 3.31 C ATOM 838 CE LYS A 58 27.291 -13.186 29.286 1.00 72.32 C ATOM 839 NZ LYS A 58 28.525 -14.005 29.443 1.00 52.10 N ATOM 0 H LYS A 58 26.089 -9.456 24.566 1.00 64.40 H new ATOM 0 HA LYS A 58 24.371 -11.504 25.478 1.00 31.31 H new ATOM 0 HB2 LYS A 58 26.855 -11.106 25.972 1.00 44.43 H new ATOM 0 HB3 LYS A 58 26.349 -9.868 27.105 1.00 44.43 H new ATOM 0 HG2 LYS A 58 25.640 -11.378 28.660 1.00 75.25 H new ATOM 0 HG3 LYS A 58 24.994 -12.480 27.460 1.00 75.25 H new ATOM 0 HD2 LYS A 58 26.992 -13.609 27.202 1.00 3.31 H new ATOM 0 HD3 LYS A 58 27.968 -12.186 27.510 1.00 3.31 H new ATOM 0 HE2 LYS A 58 27.350 -12.312 29.935 1.00 72.32 H new ATOM 0 HE3 LYS A 58 26.427 -13.766 29.610 1.00 72.32 H new ATOM 0 HZ1 LYS A 58 28.627 -14.292 30.437 1.00 52.10 H new ATOM 0 HZ2 LYS A 58 28.458 -14.852 28.843 1.00 52.10 H new ATOM 0 HZ3 LYS A 58 29.353 -13.444 29.158 1.00 52.10 H new ATOM 853 N LYS A 59 23.908 -8.505 26.762 1.00 35.51 N ATOM 854 CA LYS A 59 22.978 -7.690 27.535 1.00 60.12 C ATOM 855 C LYS A 59 21.598 -7.676 26.886 1.00 14.01 C ATOM 856 O LYS A 59 20.584 -7.863 27.559 1.00 4.42 O ATOM 857 CB LYS A 59 23.507 -6.260 27.663 1.00 4.15 C ATOM 858 CG LYS A 59 22.684 -5.388 28.595 1.00 32.15 C ATOM 859 CD LYS A 59 23.123 -3.935 28.533 1.00 4.12 C ATOM 860 CE LYS A 59 24.269 -3.657 29.495 1.00 74.31 C ATOM 861 NZ LYS A 59 24.479 -2.197 29.700 1.00 30.54 N ATOM 0 H LYS A 59 24.676 -7.983 26.341 1.00 35.51 H new ATOM 0 HA LYS A 59 22.888 -8.129 28.529 1.00 60.12 H new ATOM 0 HB2 LYS A 59 24.535 -6.293 28.023 1.00 4.15 H new ATOM 0 HB3 LYS A 59 23.530 -5.800 26.675 1.00 4.15 H new ATOM 0 HG2 LYS A 59 21.630 -5.462 28.328 1.00 32.15 H new ATOM 0 HG3 LYS A 59 22.780 -5.755 29.617 1.00 32.15 H new ATOM 0 HD2 LYS A 59 23.432 -3.690 27.517 1.00 4.12 H new ATOM 0 HD3 LYS A 59 22.279 -3.288 28.774 1.00 4.12 H new ATOM 0 HE2 LYS A 59 24.062 -4.132 30.454 1.00 74.31 H new ATOM 0 HE3 LYS A 59 25.184 -4.105 29.108 1.00 74.31 H new ATOM 0 HZ1 LYS A 59 25.268 -2.049 30.361 1.00 30.54 H new ATOM 0 HZ2 LYS A 59 24.702 -1.747 28.789 1.00 30.54 H new ATOM 0 HZ3 LYS A 59 23.614 -1.774 30.093 1.00 30.54 H new ATOM 875 N GLN A 60 21.567 -7.455 25.576 1.00 73.01 N ATOM 876 CA GLN A 60 20.310 -7.418 24.837 1.00 10.24 C ATOM 877 C GLN A 60 19.603 -8.768 24.898 1.00 40.14 C ATOM 878 O GLN A 60 18.400 -8.861 24.656 1.00 23.45 O ATOM 879 CB GLN A 60 20.562 -7.025 23.381 1.00 75.04 C ATOM 880 CG GLN A 60 19.305 -7.026 22.524 1.00 23.55 C ATOM 881 CD GLN A 60 19.516 -6.361 21.179 1.00 74.34 C ATOM 882 OE1 GLN A 60 20.579 -6.488 20.570 1.00 54.40 O ATOM 883 NE2 GLN A 60 18.501 -5.647 20.706 1.00 74.42 N ATOM 0 H GLN A 60 22.397 -7.299 25.004 1.00 73.01 H new ATOM 0 HA GLN A 60 19.666 -6.671 25.301 1.00 10.24 H new ATOM 0 HB2 GLN A 60 21.010 -6.031 23.354 1.00 75.04 H new ATOM 0 HB3 GLN A 60 21.288 -7.713 22.948 1.00 75.04 H new ATOM 0 HG2 GLN A 60 18.976 -8.054 22.369 1.00 23.55 H new ATOM 0 HG3 GLN A 60 18.505 -6.512 23.058 1.00 23.55 H new ATOM 0 HE21 GLN A 60 17.638 -5.569 21.244 1.00 74.42 H new ATOM 0 HE22 GLN A 60 18.584 -5.177 19.805 1.00 74.42 H new ATOM 892 N GLY A 61 20.359 -9.813 25.221 1.00 43.31 N ATOM 893 CA GLY A 61 19.788 -11.144 25.306 1.00 12.14 C ATOM 894 C GLY A 61 19.714 -11.831 23.957 1.00 2.13 C ATOM 895 O GLY A 61 18.841 -12.668 23.726 1.00 12.34 O ATOM 0 H GLY A 61 21.357 -9.761 25.425 1.00 43.31 H new ATOM 0 HA2 GLY A 61 20.387 -11.750 25.986 1.00 12.14 H new ATOM 0 HA3 GLY A 61 18.787 -11.080 25.733 1.00 12.14 H new ATOM 899 N ILE A 62 20.632 -11.476 23.064 1.00 75.52 N ATOM 900 CA ILE A 62 20.666 -12.065 21.731 1.00 50.34 C ATOM 901 C ILE A 62 22.101 -12.305 21.273 1.00 75.03 C ATOM 902 O ILE A 62 22.973 -11.456 21.458 1.00 33.43 O ATOM 903 CB ILE A 62 19.954 -11.168 20.701 1.00 52.31 C ATOM 904 CG1 ILE A 62 20.609 -9.786 20.656 1.00 10.33 C ATOM 905 CG2 ILE A 62 18.475 -11.048 21.036 1.00 74.10 C ATOM 906 CD1 ILE A 62 21.675 -9.657 19.591 1.00 2.41 C ATOM 0 H ILE A 62 21.361 -10.784 23.239 1.00 75.52 H new ATOM 0 HA ILE A 62 20.142 -13.019 21.794 1.00 50.34 H new ATOM 0 HB ILE A 62 20.048 -11.626 19.716 1.00 52.31 H new ATOM 0 HG12 ILE A 62 19.840 -9.034 20.482 1.00 10.33 H new ATOM 0 HG13 ILE A 62 21.051 -9.570 21.629 1.00 10.33 H new ATOM 0 HG21 ILE A 62 17.986 -10.411 20.299 1.00 74.10 H new ATOM 0 HG22 ILE A 62 18.017 -12.037 21.022 1.00 74.10 H new ATOM 0 HG23 ILE A 62 18.361 -10.610 22.027 1.00 74.10 H new ATOM 0 HD11 ILE A 62 22.096 -8.652 19.617 1.00 2.41 H new ATOM 0 HD12 ILE A 62 22.464 -10.386 19.776 1.00 2.41 H new ATOM 0 HD13 ILE A 62 21.234 -9.841 18.611 1.00 2.41 H new ATOM 918 N SER A 63 22.337 -13.467 20.672 1.00 43.33 N ATOM 919 CA SER A 63 23.667 -13.820 20.188 1.00 31.23 C ATOM 920 C SER A 63 24.169 -12.792 19.179 1.00 3.15 C ATOM 921 O SER A 63 23.430 -11.899 18.766 1.00 14.34 O ATOM 922 CB SER A 63 23.648 -15.210 19.550 1.00 74.50 C ATOM 923 OG SER A 63 24.947 -15.775 19.518 1.00 31.25 O ATOM 0 H SER A 63 21.625 -14.179 20.509 1.00 43.33 H new ATOM 0 HA SER A 63 24.346 -13.828 21.040 1.00 31.23 H new ATOM 0 HB2 SER A 63 22.978 -15.862 20.111 1.00 74.50 H new ATOM 0 HB3 SER A 63 23.252 -15.143 18.537 1.00 74.50 H new ATOM 0 HG SER A 63 24.907 -16.664 19.107 1.00 31.25 H new ATOM 929 N ARG A 64 25.432 -12.925 18.787 1.00 21.13 N ATOM 930 CA ARG A 64 26.035 -12.008 17.828 1.00 1.30 C ATOM 931 C ARG A 64 25.744 -12.449 16.397 1.00 63.24 C ATOM 932 O ARG A 64 26.654 -12.574 15.578 1.00 23.34 O ATOM 933 CB ARG A 64 27.546 -11.924 18.050 1.00 23.23 C ATOM 934 CG ARG A 64 28.238 -13.278 18.050 1.00 54.13 C ATOM 935 CD ARG A 64 29.230 -13.396 16.904 1.00 60.14 C ATOM 936 NE ARG A 64 29.275 -14.749 16.356 1.00 73.14 N ATOM 937 CZ ARG A 64 29.937 -15.073 15.251 1.00 42.03 C ATOM 938 NH1 ARG A 64 30.607 -14.146 14.580 1.00 63.31 N ATOM 939 NH2 ARG A 64 29.931 -16.326 14.815 1.00 34.31 N ATOM 0 H ARG A 64 26.057 -13.659 19.119 1.00 21.13 H new ATOM 0 HA ARG A 64 25.597 -11.022 17.982 1.00 1.30 H new ATOM 0 HB2 ARG A 64 27.985 -11.301 17.271 1.00 23.23 H new ATOM 0 HB3 ARG A 64 27.738 -11.427 19.001 1.00 23.23 H new ATOM 0 HG2 ARG A 64 28.756 -13.423 18.998 1.00 54.13 H new ATOM 0 HG3 ARG A 64 27.492 -14.069 17.970 1.00 54.13 H new ATOM 0 HD2 ARG A 64 28.958 -12.694 16.115 1.00 60.14 H new ATOM 0 HD3 ARG A 64 30.223 -13.113 17.254 1.00 60.14 H new ATOM 0 HE ARG A 64 28.770 -15.486 16.849 1.00 73.14 H new ATOM 0 HH11 ARG A 64 30.615 -13.182 14.912 1.00 63.31 H new ATOM 0 HH12 ARG A 64 31.115 -14.397 13.732 1.00 63.31 H new ATOM 0 HH21 ARG A 64 29.417 -17.042 15.329 1.00 34.31 H new ATOM 0 HH22 ARG A 64 30.440 -16.573 13.966 1.00 34.31 H new ATOM 953 N ASN A 65 24.470 -12.684 16.103 1.00 74.33 N ATOM 954 CA ASN A 65 24.059 -13.113 14.771 1.00 71.13 C ATOM 955 C ASN A 65 22.891 -12.272 14.265 1.00 73.34 C ATOM 956 O ASN A 65 22.099 -12.725 13.438 1.00 33.23 O ATOM 957 CB ASN A 65 23.668 -14.592 14.786 1.00 22.32 C ATOM 958 CG ASN A 65 24.499 -15.420 13.825 1.00 42.13 C ATOM 959 OD1 ASN A 65 24.878 -14.951 12.751 1.00 15.43 O ATOM 960 ND2 ASN A 65 24.787 -16.659 14.207 1.00 52.33 N ATOM 0 H ASN A 65 23.704 -12.585 16.769 1.00 74.33 H new ATOM 0 HA ASN A 65 24.903 -12.974 14.096 1.00 71.13 H new ATOM 0 HB2 ASN A 65 23.785 -14.986 15.796 1.00 22.32 H new ATOM 0 HB3 ASN A 65 22.614 -14.689 14.527 1.00 22.32 H new ATOM 0 HD21 ASN A 65 25.343 -17.263 13.602 1.00 52.33 H new ATOM 0 HD22 ASN A 65 24.452 -17.006 15.106 1.00 52.33 H new ATOM 967 N SER A 66 22.791 -11.045 14.766 1.00 33.41 N ATOM 968 CA SER A 66 21.718 -10.142 14.368 1.00 53.13 C ATOM 969 C SER A 66 22.139 -8.686 14.546 1.00 61.42 C ATOM 970 O SER A 66 21.305 -7.810 14.776 1.00 63.33 O ATOM 971 CB SER A 66 20.456 -10.423 15.185 1.00 14.03 C ATOM 972 OG SER A 66 19.344 -10.667 14.340 1.00 25.14 O ATOM 0 H SER A 66 23.440 -10.654 15.448 1.00 33.41 H new ATOM 0 HA SER A 66 21.505 -10.314 13.313 1.00 53.13 H new ATOM 0 HB2 SER A 66 20.622 -11.285 15.831 1.00 14.03 H new ATOM 0 HB3 SER A 66 20.243 -9.574 15.835 1.00 14.03 H new ATOM 0 HG SER A 66 18.652 -11.147 14.841 1.00 25.14 H new ATOM 978 N VAL A 67 23.440 -8.436 14.438 1.00 41.02 N ATOM 979 CA VAL A 67 23.974 -7.087 14.585 1.00 31.35 C ATOM 980 C VAL A 67 25.269 -6.919 13.798 1.00 35.41 C ATOM 981 O VAL A 67 26.261 -7.597 14.064 1.00 22.22 O ATOM 982 CB VAL A 67 24.238 -6.747 16.064 1.00 15.13 C ATOM 983 CG1 VAL A 67 22.927 -6.518 16.802 1.00 51.04 C ATOM 984 CG2 VAL A 67 25.047 -7.850 16.729 1.00 72.54 C ATOM 0 H VAL A 67 24.144 -9.150 14.249 1.00 41.02 H new ATOM 0 HA VAL A 67 23.222 -6.404 14.191 1.00 31.35 H new ATOM 0 HB VAL A 67 24.818 -5.825 16.108 1.00 15.13 H new ATOM 0 HG11 VAL A 67 23.134 -6.279 17.845 1.00 51.04 H new ATOM 0 HG12 VAL A 67 22.389 -5.690 16.340 1.00 51.04 H new ATOM 0 HG13 VAL A 67 22.318 -7.420 16.750 1.00 51.04 H new ATOM 0 HG21 VAL A 67 25.224 -7.592 17.773 1.00 72.54 H new ATOM 0 HG22 VAL A 67 24.496 -8.789 16.675 1.00 72.54 H new ATOM 0 HG23 VAL A 67 26.002 -7.960 16.216 1.00 72.54 H new ATOM 994 N ARG A 68 25.251 -6.011 12.828 1.00 70.31 N ATOM 995 CA ARG A 68 26.424 -5.754 12.001 1.00 73.44 C ATOM 996 C ARG A 68 27.215 -4.564 12.534 1.00 23.13 C ATOM 997 O ARG A 68 26.708 -3.444 12.592 1.00 44.53 O ATOM 998 CB ARG A 68 26.005 -5.494 10.552 1.00 24.43 C ATOM 999 CG ARG A 68 27.017 -5.984 9.529 1.00 40.01 C ATOM 1000 CD ARG A 68 26.638 -7.351 8.981 1.00 21.01 C ATOM 1001 NE ARG A 68 27.806 -8.104 8.533 1.00 64.12 N ATOM 1002 CZ ARG A 68 27.731 -9.263 7.888 1.00 53.22 C ATOM 1003 NH1 ARG A 68 26.549 -9.798 7.616 1.00 35.35 N ATOM 1004 NH2 ARG A 68 28.839 -9.888 7.512 1.00 21.12 N ATOM 0 H ARG A 68 24.438 -5.441 12.595 1.00 70.31 H new ATOM 0 HA ARG A 68 27.062 -6.637 12.035 1.00 73.44 H new ATOM 0 HB2 ARG A 68 25.048 -5.981 10.366 1.00 24.43 H new ATOM 0 HB3 ARG A 68 25.850 -4.424 10.414 1.00 24.43 H new ATOM 0 HG2 ARG A 68 27.084 -5.268 8.710 1.00 40.01 H new ATOM 0 HG3 ARG A 68 28.004 -6.036 9.988 1.00 40.01 H new ATOM 0 HD2 ARG A 68 26.115 -7.918 9.751 1.00 21.01 H new ATOM 0 HD3 ARG A 68 25.945 -7.228 8.149 1.00 21.01 H new ATOM 0 HE ARG A 68 28.731 -7.719 8.726 1.00 64.12 H new ATOM 0 HH11 ARG A 68 25.695 -9.320 7.902 1.00 35.35 H new ATOM 0 HH12 ARG A 68 26.494 -10.688 7.121 1.00 35.35 H new ATOM 0 HH21 ARG A 68 29.750 -9.479 7.718 1.00 21.12 H new ATOM 0 HH22 ARG A 68 28.780 -10.778 7.017 1.00 21.12 H new ATOM 1018 N PHE A 69 28.461 -4.815 12.924 1.00 34.23 N ATOM 1019 CA PHE A 69 29.322 -3.765 13.455 1.00 40.02 C ATOM 1020 C PHE A 69 30.288 -3.263 12.386 1.00 4.51 C ATOM 1021 O PHE A 69 31.264 -3.935 12.050 1.00 42.43 O ATOM 1022 CB PHE A 69 30.105 -4.280 14.664 1.00 34.44 C ATOM 1023 CG PHE A 69 29.308 -4.282 15.938 1.00 73.35 C ATOM 1024 CD1 PHE A 69 28.100 -4.958 16.013 1.00 2.55 C ATOM 1025 CD2 PHE A 69 29.766 -3.609 17.058 1.00 23.34 C ATOM 1026 CE1 PHE A 69 27.365 -4.960 17.184 1.00 73.04 C ATOM 1027 CE2 PHE A 69 29.035 -3.609 18.232 1.00 43.45 C ATOM 1028 CZ PHE A 69 27.833 -4.286 18.294 1.00 3.13 C ATOM 0 H PHE A 69 28.896 -5.736 12.882 1.00 34.23 H new ATOM 0 HA PHE A 69 28.689 -2.935 13.768 1.00 40.02 H new ATOM 0 HB2 PHE A 69 30.450 -5.294 14.459 1.00 34.44 H new ATOM 0 HB3 PHE A 69 30.993 -3.663 14.801 1.00 34.44 H new ATOM 0 HD1 PHE A 69 27.729 -5.488 15.148 1.00 2.55 H new ATOM 0 HD2 PHE A 69 30.705 -3.078 17.014 1.00 23.34 H new ATOM 0 HE1 PHE A 69 26.425 -5.489 17.230 1.00 73.04 H new ATOM 0 HE2 PHE A 69 29.404 -3.080 19.099 1.00 43.45 H new ATOM 0 HZ PHE A 69 27.260 -4.288 19.209 1.00 3.13 H new ATOM 1038 N LEU A 70 30.010 -2.077 11.856 1.00 53.04 N ATOM 1039 CA LEU A 70 30.853 -1.483 10.824 1.00 21.01 C ATOM 1040 C LEU A 70 31.509 -0.202 11.328 1.00 3.34 C ATOM 1041 O LEU A 70 31.013 0.439 12.255 1.00 51.41 O ATOM 1042 CB LEU A 70 30.028 -1.188 9.570 1.00 11.34 C ATOM 1043 CG LEU A 70 28.555 -1.595 9.625 1.00 62.53 C ATOM 1044 CD1 LEU A 70 27.768 -0.900 8.525 1.00 71.21 C ATOM 1045 CD2 LEU A 70 28.416 -3.106 9.509 1.00 34.44 C ATOM 0 H LEU A 70 29.207 -1.508 12.124 1.00 53.04 H new ATOM 0 HA LEU A 70 31.637 -2.198 10.575 1.00 21.01 H new ATOM 0 HB2 LEU A 70 30.081 -0.118 9.368 1.00 11.34 H new ATOM 0 HB3 LEU A 70 30.493 -1.696 8.725 1.00 11.34 H new ATOM 0 HG LEU A 70 28.147 -1.285 10.587 1.00 62.53 H new ATOM 0 HD11 LEU A 70 26.722 -1.202 8.580 1.00 71.21 H new ATOM 0 HD12 LEU A 70 27.841 0.180 8.652 1.00 71.21 H new ATOM 0 HD13 LEU A 70 28.176 -1.180 7.554 1.00 71.21 H new ATOM 0 HD21 LEU A 70 27.361 -3.379 9.550 1.00 34.44 H new ATOM 0 HD22 LEU A 70 28.840 -3.439 8.562 1.00 34.44 H new ATOM 0 HD23 LEU A 70 28.947 -3.584 10.332 1.00 34.44 H new ATOM 1057 N PHE A 71 32.627 0.167 10.711 1.00 11.11 N ATOM 1058 CA PHE A 71 33.351 1.373 11.096 1.00 32.14 C ATOM 1059 C PHE A 71 33.781 2.166 9.866 1.00 61.44 C ATOM 1060 O PHE A 71 34.695 1.765 9.144 1.00 33.11 O ATOM 1061 CB PHE A 71 34.576 1.011 11.938 1.00 64.42 C ATOM 1062 CG PHE A 71 35.548 2.144 12.100 1.00 3.22 C ATOM 1063 CD1 PHE A 71 35.098 3.428 12.363 1.00 40.04 C ATOM 1064 CD2 PHE A 71 36.912 1.926 11.991 1.00 22.20 C ATOM 1065 CE1 PHE A 71 35.990 4.473 12.512 1.00 63.13 C ATOM 1066 CE2 PHE A 71 37.809 2.967 12.140 1.00 63.24 C ATOM 1067 CZ PHE A 71 37.348 4.242 12.401 1.00 34.23 C ATOM 0 H PHE A 71 33.051 -0.352 9.942 1.00 11.11 H new ATOM 0 HA PHE A 71 32.681 1.994 11.690 1.00 32.14 H new ATOM 0 HB2 PHE A 71 34.245 0.683 12.923 1.00 64.42 H new ATOM 0 HB3 PHE A 71 35.088 0.167 11.476 1.00 64.42 H new ATOM 0 HD1 PHE A 71 34.038 3.614 12.453 1.00 40.04 H new ATOM 0 HD2 PHE A 71 37.279 0.931 11.787 1.00 22.20 H new ATOM 0 HE1 PHE A 71 35.626 5.469 12.715 1.00 63.13 H new ATOM 0 HE2 PHE A 71 38.870 2.783 12.052 1.00 63.24 H new ATOM 0 HZ PHE A 71 38.047 5.057 12.518 1.00 34.23 H new ATOM 1077 N ASP A 72 33.116 3.292 9.632 1.00 30.44 N ATOM 1078 CA ASP A 72 33.429 4.142 8.490 1.00 72.34 C ATOM 1079 C ASP A 72 33.352 3.351 7.187 1.00 13.40 C ATOM 1080 O ASP A 72 34.149 3.561 6.274 1.00 23.40 O ATOM 1081 CB ASP A 72 34.822 4.753 8.648 1.00 52.21 C ATOM 1082 CG ASP A 72 34.987 6.032 7.850 1.00 32.13 C ATOM 1083 OD1 ASP A 72 33.970 6.552 7.346 1.00 53.42 O ATOM 1084 OD2 ASP A 72 36.133 6.513 7.731 1.00 20.44 O ATOM 0 H ASP A 72 32.356 3.637 10.219 1.00 30.44 H new ATOM 0 HA ASP A 72 32.691 4.944 8.452 1.00 72.34 H new ATOM 0 HB2 ASP A 72 35.008 4.959 9.702 1.00 52.21 H new ATOM 0 HB3 ASP A 72 35.572 4.029 8.328 1.00 52.21 H new ATOM 1089 N GLY A 73 32.386 2.441 7.109 1.00 33.02 N ATOM 1090 CA GLY A 73 32.223 1.632 5.915 1.00 1.13 C ATOM 1091 C GLY A 73 32.971 0.316 6.000 1.00 13.23 C ATOM 1092 O GLY A 73 33.078 -0.411 5.012 1.00 22.13 O ATOM 0 H GLY A 73 31.713 2.249 7.851 1.00 33.02 H new ATOM 0 HA2 GLY A 73 31.163 1.434 5.756 1.00 1.13 H new ATOM 0 HA3 GLY A 73 32.576 2.192 5.049 1.00 1.13 H new ATOM 1096 N THR A 74 33.491 0.008 7.184 1.00 3.32 N ATOM 1097 CA THR A 74 34.235 -1.227 7.394 1.00 23.21 C ATOM 1098 C THR A 74 33.448 -2.202 8.262 1.00 61.41 C ATOM 1099 O THR A 74 33.631 -2.277 9.477 1.00 2.31 O ATOM 1100 CB THR A 74 35.600 -0.956 8.055 1.00 51.11 C ATOM 1101 OG1 THR A 74 36.216 0.189 7.454 1.00 22.33 O ATOM 1102 CG2 THR A 74 36.517 -2.162 7.918 1.00 33.12 C ATOM 0 H THR A 74 33.410 0.598 8.012 1.00 3.32 H new ATOM 0 HA THR A 74 34.397 -1.669 6.411 1.00 23.21 H new ATOM 0 HB THR A 74 35.434 -0.765 9.115 1.00 51.11 H new ATOM 0 HG1 THR A 74 35.874 1.004 7.877 1.00 22.33 H new ATOM 0 HG21 THR A 74 37.475 -1.947 8.392 1.00 33.12 H new ATOM 0 HG22 THR A 74 36.058 -3.025 8.401 1.00 33.12 H new ATOM 0 HG23 THR A 74 36.676 -2.380 6.862 1.00 33.12 H new ATOM 1110 N PRO A 75 32.551 -2.970 7.626 1.00 55.10 N ATOM 1111 CA PRO A 75 31.718 -3.956 8.321 1.00 1.04 C ATOM 1112 C PRO A 75 32.527 -5.147 8.823 1.00 62.10 C ATOM 1113 O PRO A 75 32.723 -6.125 8.100 1.00 11.23 O ATOM 1114 CB PRO A 75 30.722 -4.400 7.247 1.00 22.22 C ATOM 1115 CG PRO A 75 31.421 -4.149 5.956 1.00 51.33 C ATOM 1116 CD PRO A 75 32.280 -2.935 6.179 1.00 14.40 C ATOM 0 HA PRO A 75 31.247 -3.537 9.210 1.00 1.04 H new ATOM 0 HB2 PRO A 75 30.462 -5.453 7.359 1.00 22.22 H new ATOM 0 HB3 PRO A 75 29.793 -3.834 7.311 1.00 22.22 H new ATOM 0 HG2 PRO A 75 32.027 -5.008 5.667 1.00 51.33 H new ATOM 0 HG3 PRO A 75 30.705 -3.978 5.152 1.00 51.33 H new ATOM 0 HD2 PRO A 75 33.200 -2.981 5.597 1.00 14.40 H new ATOM 0 HD3 PRO A 75 31.765 -2.019 5.889 1.00 14.40 H new ATOM 1124 N ILE A 76 32.994 -5.059 10.064 1.00 45.23 N ATOM 1125 CA ILE A 76 33.781 -6.131 10.661 1.00 10.33 C ATOM 1126 C ILE A 76 33.558 -6.202 12.168 1.00 11.31 C ATOM 1127 O ILE A 76 33.398 -5.177 12.831 1.00 1.13 O ATOM 1128 CB ILE A 76 35.285 -5.947 10.384 1.00 32.24 C ATOM 1129 CG1 ILE A 76 35.523 -5.680 8.897 1.00 72.33 C ATOM 1130 CG2 ILE A 76 36.061 -7.174 10.839 1.00 73.53 C ATOM 1131 CD1 ILE A 76 36.977 -5.450 8.549 1.00 30.51 C ATOM 0 H ILE A 76 32.841 -4.257 10.675 1.00 45.23 H new ATOM 0 HA ILE A 76 33.447 -7.061 10.202 1.00 10.33 H new ATOM 0 HB ILE A 76 35.641 -5.086 10.949 1.00 32.24 H new ATOM 0 HG12 ILE A 76 35.149 -6.526 8.320 1.00 72.33 H new ATOM 0 HG13 ILE A 76 34.943 -4.808 8.596 1.00 72.33 H new ATOM 0 HG21 ILE A 76 37.122 -7.029 10.637 1.00 73.53 H new ATOM 0 HG22 ILE A 76 35.912 -7.322 11.909 1.00 73.53 H new ATOM 0 HG23 ILE A 76 35.705 -8.051 10.298 1.00 73.53 H new ATOM 0 HD11 ILE A 76 37.070 -5.267 7.479 1.00 30.51 H new ATOM 0 HD12 ILE A 76 37.350 -4.586 9.099 1.00 30.51 H new ATOM 0 HD13 ILE A 76 37.559 -6.331 8.819 1.00 30.51 H new ATOM 1143 N ASP A 77 33.550 -7.418 12.703 1.00 42.23 N ATOM 1144 CA ASP A 77 33.350 -7.623 14.132 1.00 31.35 C ATOM 1145 C ASP A 77 34.669 -7.952 14.824 1.00 3.33 C ATOM 1146 O ASP A 77 35.040 -9.118 14.952 1.00 42.03 O ATOM 1147 CB ASP A 77 32.341 -8.747 14.371 1.00 32.54 C ATOM 1148 CG ASP A 77 32.565 -9.932 13.452 1.00 53.44 C ATOM 1149 OD1 ASP A 77 32.010 -9.927 12.332 1.00 23.13 O ATOM 1150 OD2 ASP A 77 33.295 -10.862 13.851 1.00 60.45 O ATOM 0 H ASP A 77 33.680 -8.277 12.168 1.00 42.23 H new ATOM 0 HA ASP A 77 32.959 -6.698 14.555 1.00 31.35 H new ATOM 0 HB2 ASP A 77 32.408 -9.077 15.408 1.00 32.54 H new ATOM 0 HB3 ASP A 77 31.332 -8.363 14.224 1.00 32.54 H new ATOM 1155 N GLU A 78 35.373 -6.915 15.268 1.00 2.10 N ATOM 1156 CA GLU A 78 36.652 -7.094 15.945 1.00 22.40 C ATOM 1157 C GLU A 78 37.242 -5.749 16.359 1.00 62.23 C ATOM 1158 O GLU A 78 36.752 -4.693 15.958 1.00 11.12 O ATOM 1159 CB GLU A 78 37.635 -7.837 15.038 1.00 71.34 C ATOM 1160 CG GLU A 78 37.883 -9.276 15.458 1.00 71.30 C ATOM 1161 CD GLU A 78 39.359 -9.606 15.569 1.00 51.44 C ATOM 1162 OE1 GLU A 78 40.026 -9.043 16.462 1.00 22.42 O ATOM 1163 OE2 GLU A 78 39.847 -10.425 14.762 1.00 13.41 O ATOM 0 H GLU A 78 35.079 -5.943 15.171 1.00 2.10 H new ATOM 0 HA GLU A 78 36.478 -7.687 16.843 1.00 22.40 H new ATOM 0 HB2 GLU A 78 37.253 -7.826 14.017 1.00 71.34 H new ATOM 0 HB3 GLU A 78 38.584 -7.301 15.029 1.00 71.34 H new ATOM 0 HG2 GLU A 78 37.401 -9.458 16.418 1.00 71.30 H new ATOM 0 HG3 GLU A 78 37.418 -9.947 14.735 1.00 71.30 H new ATOM 1170 N THR A 79 38.299 -5.796 17.164 1.00 11.33 N ATOM 1171 CA THR A 79 38.955 -4.582 17.634 1.00 25.54 C ATOM 1172 C THR A 79 40.230 -4.306 16.845 1.00 22.14 C ATOM 1173 O THR A 79 40.518 -3.163 16.491 1.00 51.22 O ATOM 1174 CB THR A 79 39.302 -4.676 19.132 1.00 5.22 C ATOM 1175 OG1 THR A 79 38.212 -5.261 19.852 1.00 32.22 O ATOM 1176 CG2 THR A 79 39.613 -3.300 19.703 1.00 60.15 C ATOM 0 H THR A 79 38.719 -6.661 17.504 1.00 11.33 H new ATOM 0 HA THR A 79 38.252 -3.763 17.482 1.00 25.54 H new ATOM 0 HB THR A 79 40.186 -5.305 19.238 1.00 5.22 H new ATOM 0 HG1 THR A 79 38.552 -5.957 20.452 1.00 32.22 H new ATOM 0 HG21 THR A 79 39.855 -3.392 20.762 1.00 60.15 H new ATOM 0 HG22 THR A 79 40.462 -2.869 19.173 1.00 60.15 H new ATOM 0 HG23 THR A 79 38.745 -2.652 19.584 1.00 60.15 H new ATOM 1184 N LYS A 80 40.992 -5.360 16.572 1.00 34.23 N ATOM 1185 CA LYS A 80 42.236 -5.232 15.823 1.00 72.42 C ATOM 1186 C LYS A 80 41.980 -4.639 14.441 1.00 21.11 C ATOM 1187 O LYS A 80 42.813 -3.909 13.903 1.00 2.22 O ATOM 1188 CB LYS A 80 42.915 -6.597 15.686 1.00 42.21 C ATOM 1189 CG LYS A 80 44.335 -6.626 16.225 1.00 32.34 C ATOM 1190 CD LYS A 80 44.374 -6.301 17.709 1.00 23.42 C ATOM 1191 CE LYS A 80 45.029 -7.419 18.507 1.00 11.31 C ATOM 1192 NZ LYS A 80 44.221 -8.669 18.477 1.00 73.15 N ATOM 0 H LYS A 80 40.769 -6.313 16.859 1.00 34.23 H new ATOM 0 HA LYS A 80 42.894 -4.559 16.372 1.00 72.42 H new ATOM 0 HB2 LYS A 80 42.320 -7.344 16.212 1.00 42.21 H new ATOM 0 HB3 LYS A 80 42.928 -6.883 14.634 1.00 42.21 H new ATOM 0 HG2 LYS A 80 44.770 -7.611 16.056 1.00 32.34 H new ATOM 0 HG3 LYS A 80 44.948 -5.909 15.678 1.00 32.34 H new ATOM 0 HD2 LYS A 80 44.922 -5.372 17.865 1.00 23.42 H new ATOM 0 HD3 LYS A 80 43.360 -6.138 18.074 1.00 23.42 H new ATOM 0 HE2 LYS A 80 46.022 -7.619 18.104 1.00 11.31 H new ATOM 0 HE3 LYS A 80 45.163 -7.098 19.540 1.00 11.31 H new ATOM 0 HZ1 LYS A 80 44.565 -9.322 19.210 1.00 73.15 H new ATOM 0 HZ2 LYS A 80 43.222 -8.441 18.657 1.00 73.15 H new ATOM 0 HZ3 LYS A 80 44.311 -9.118 17.543 1.00 73.15 H new ATOM 1206 N THR A 81 40.822 -4.956 13.871 1.00 73.12 N ATOM 1207 CA THR A 81 40.456 -4.454 12.552 1.00 23.32 C ATOM 1208 C THR A 81 40.351 -2.934 12.552 1.00 2.44 C ATOM 1209 O THR A 81 41.085 -2.236 11.851 1.00 20.54 O ATOM 1210 CB THR A 81 39.118 -5.050 12.075 1.00 1.05 C ATOM 1211 OG1 THR A 81 38.543 -5.854 13.112 1.00 53.54 O ATOM 1212 CG2 THR A 81 39.316 -5.892 10.824 1.00 30.43 C ATOM 0 H THR A 81 40.121 -5.558 14.302 1.00 73.12 H new ATOM 0 HA THR A 81 41.246 -4.761 11.867 1.00 23.32 H new ATOM 0 HB THR A 81 38.443 -4.228 11.837 1.00 1.05 H new ATOM 0 HG1 THR A 81 37.583 -5.963 12.947 1.00 53.54 H new ATOM 0 HG21 THR A 81 38.358 -6.302 10.506 1.00 30.43 H new ATOM 0 HG22 THR A 81 39.727 -5.270 10.028 1.00 30.43 H new ATOM 0 HG23 THR A 81 40.006 -6.708 11.040 1.00 30.43 H new ATOM 1220 N PRO A 82 39.418 -2.404 13.357 1.00 31.23 N ATOM 1221 CA PRO A 82 39.196 -0.959 13.469 1.00 71.52 C ATOM 1222 C PRO A 82 40.347 -0.249 14.173 1.00 13.11 C ATOM 1223 O PRO A 82 40.498 0.967 14.062 1.00 54.25 O ATOM 1224 CB PRO A 82 37.916 -0.861 14.303 1.00 40.44 C ATOM 1225 CG PRO A 82 37.880 -2.123 15.093 1.00 62.13 C ATOM 1226 CD PRO A 82 38.508 -3.175 14.221 1.00 71.22 C ATOM 0 HA PRO A 82 39.122 -0.480 12.492 1.00 71.52 H new ATOM 0 HB2 PRO A 82 37.934 0.013 14.954 1.00 40.44 H new ATOM 0 HB3 PRO A 82 37.036 -0.767 13.667 1.00 40.44 H new ATOM 0 HG2 PRO A 82 38.428 -2.013 16.029 1.00 62.13 H new ATOM 0 HG3 PRO A 82 36.856 -2.392 15.353 1.00 62.13 H new ATOM 0 HD2 PRO A 82 39.046 -3.917 14.811 1.00 71.22 H new ATOM 0 HD3 PRO A 82 37.760 -3.713 13.638 1.00 71.22 H new ATOM 1234 N GLU A 83 41.155 -1.016 14.897 1.00 24.05 N ATOM 1235 CA GLU A 83 42.292 -0.458 15.620 1.00 44.21 C ATOM 1236 C GLU A 83 43.435 -0.127 14.664 1.00 10.00 C ATOM 1237 O GLU A 83 43.958 0.987 14.669 1.00 65.41 O ATOM 1238 CB GLU A 83 42.776 -1.438 16.690 1.00 21.43 C ATOM 1239 CG GLU A 83 43.950 -0.921 17.504 1.00 0.52 C ATOM 1240 CD GLU A 83 44.748 -2.036 18.151 1.00 5.41 C ATOM 1241 OE1 GLU A 83 44.222 -3.163 18.249 1.00 33.45 O ATOM 1242 OE2 GLU A 83 45.901 -1.780 18.559 1.00 50.33 O ATOM 0 H GLU A 83 41.044 -2.025 14.999 1.00 24.05 H new ATOM 0 HA GLU A 83 41.966 0.463 16.103 1.00 44.21 H new ATOM 0 HB2 GLU A 83 41.950 -1.664 17.364 1.00 21.43 H new ATOM 0 HB3 GLU A 83 43.062 -2.374 16.210 1.00 21.43 H new ATOM 0 HG2 GLU A 83 44.606 -0.337 16.858 1.00 0.52 H new ATOM 0 HG3 GLU A 83 43.582 -0.247 18.277 1.00 0.52 H new ATOM 1249 N GLU A 84 43.816 -1.103 13.846 1.00 20.21 N ATOM 1250 CA GLU A 84 44.897 -0.916 12.886 1.00 43.11 C ATOM 1251 C GLU A 84 44.428 -0.089 11.692 1.00 0.35 C ATOM 1252 O GLU A 84 45.215 0.626 11.070 1.00 13.54 O ATOM 1253 CB GLU A 84 45.424 -2.270 12.406 1.00 35.32 C ATOM 1254 CG GLU A 84 44.526 -2.944 11.382 1.00 34.34 C ATOM 1255 CD GLU A 84 44.718 -4.448 11.337 1.00 4.42 C ATOM 1256 OE1 GLU A 84 45.879 -4.900 11.419 1.00 22.23 O ATOM 1257 OE2 GLU A 84 43.707 -5.172 11.220 1.00 44.52 O ATOM 0 H GLU A 84 43.392 -2.031 13.829 1.00 20.21 H new ATOM 0 HA GLU A 84 45.702 -0.377 13.386 1.00 43.11 H new ATOM 0 HB2 GLU A 84 46.415 -2.132 11.973 1.00 35.32 H new ATOM 0 HB3 GLU A 84 45.541 -2.930 13.265 1.00 35.32 H new ATOM 0 HG2 GLU A 84 43.485 -2.721 11.615 1.00 34.34 H new ATOM 0 HG3 GLU A 84 44.728 -2.526 10.396 1.00 34.34 H new ATOM 1264 N LEU A 85 43.141 -0.192 11.378 1.00 5.12 N ATOM 1265 CA LEU A 85 42.566 0.546 10.259 1.00 72.10 C ATOM 1266 C LEU A 85 42.286 1.994 10.648 1.00 45.25 C ATOM 1267 O LEU A 85 42.411 2.903 9.827 1.00 33.34 O ATOM 1268 CB LEU A 85 41.274 -0.126 9.790 1.00 64.42 C ATOM 1269 CG LEU A 85 40.747 0.312 8.423 1.00 4.51 C ATOM 1270 CD1 LEU A 85 40.029 -0.837 7.734 1.00 64.25 C ATOM 1271 CD2 LEU A 85 39.821 1.511 8.569 1.00 45.45 C ATOM 0 H LEU A 85 42.476 -0.779 11.882 1.00 5.12 H new ATOM 0 HA LEU A 85 43.289 0.541 9.443 1.00 72.10 H new ATOM 0 HB2 LEU A 85 41.437 -1.204 9.766 1.00 64.42 H new ATOM 0 HB3 LEU A 85 40.499 0.063 10.533 1.00 64.42 H new ATOM 0 HG LEU A 85 41.595 0.605 7.805 1.00 4.51 H new ATOM 0 HD11 LEU A 85 39.661 -0.506 6.763 1.00 64.25 H new ATOM 0 HD12 LEU A 85 40.721 -1.668 7.596 1.00 64.25 H new ATOM 0 HD13 LEU A 85 39.189 -1.162 8.348 1.00 64.25 H new ATOM 0 HD21 LEU A 85 39.455 1.810 7.587 1.00 45.45 H new ATOM 0 HD22 LEU A 85 38.977 1.244 9.205 1.00 45.45 H new ATOM 0 HD23 LEU A 85 40.367 2.340 9.020 1.00 45.45 H new ATOM 1283 N GLY A 86 41.910 2.202 11.906 1.00 40.12 N ATOM 1284 CA GLY A 86 41.621 3.542 12.382 1.00 42.22 C ATOM 1285 C GLY A 86 42.842 4.227 12.963 1.00 23.34 C ATOM 1286 O GLY A 86 43.224 5.310 12.522 1.00 60.14 O ATOM 0 H GLY A 86 41.800 1.466 12.604 1.00 40.12 H new ATOM 0 HA2 GLY A 86 41.230 4.140 11.559 1.00 42.22 H new ATOM 0 HA3 GLY A 86 40.840 3.494 13.141 1.00 42.22 H new ATOM 1290 N MET A 87 43.456 3.594 13.958 1.00 15.14 N ATOM 1291 CA MET A 87 44.640 4.150 14.602 1.00 65.14 C ATOM 1292 C MET A 87 44.314 5.469 15.296 1.00 63.54 C ATOM 1293 O MET A 87 45.103 6.412 15.256 1.00 52.35 O ATOM 1294 CB MET A 87 45.753 4.363 13.573 1.00 73.00 C ATOM 1295 CG MET A 87 46.001 3.153 12.687 1.00 54.35 C ATOM 1296 SD MET A 87 47.753 2.870 12.372 1.00 43.33 S ATOM 1297 CE MET A 87 47.998 3.863 10.901 1.00 12.44 C ATOM 0 H MET A 87 43.153 2.696 14.335 1.00 15.14 H new ATOM 0 HA MET A 87 44.981 3.439 15.355 1.00 65.14 H new ATOM 0 HB2 MET A 87 45.498 5.217 12.945 1.00 73.00 H new ATOM 0 HB3 MET A 87 46.676 4.616 14.095 1.00 73.00 H new ATOM 0 HG2 MET A 87 45.573 2.268 13.159 1.00 54.35 H new ATOM 0 HG3 MET A 87 45.483 3.290 11.738 1.00 54.35 H new ATOM 0 HE1 MET A 87 49.038 3.791 10.582 1.00 12.44 H new ATOM 0 HE2 MET A 87 47.348 3.500 10.105 1.00 12.44 H new ATOM 0 HE3 MET A 87 47.757 4.903 11.120 1.00 12.44 H new ATOM 1307 N GLU A 88 43.148 5.525 15.931 1.00 52.44 N ATOM 1308 CA GLU A 88 42.719 6.730 16.632 1.00 75.40 C ATOM 1309 C GLU A 88 41.834 6.378 17.825 1.00 51.43 C ATOM 1310 O GLU A 88 41.291 5.276 17.905 1.00 13.52 O ATOM 1311 CB GLU A 88 41.964 7.660 15.680 1.00 71.43 C ATOM 1312 CG GLU A 88 40.815 6.983 14.951 1.00 31.13 C ATOM 1313 CD GLU A 88 40.207 7.862 13.876 1.00 42.32 C ATOM 1314 OE1 GLU A 88 39.457 8.797 14.228 1.00 24.11 O ATOM 1315 OE2 GLU A 88 40.481 7.616 12.683 1.00 51.24 O ATOM 0 H GLU A 88 42.484 4.752 15.975 1.00 52.44 H new ATOM 0 HA GLU A 88 43.608 7.242 16.999 1.00 75.40 H new ATOM 0 HB2 GLU A 88 41.576 8.507 16.245 1.00 71.43 H new ATOM 0 HB3 GLU A 88 42.663 8.060 14.946 1.00 71.43 H new ATOM 0 HG2 GLU A 88 41.172 6.057 14.499 1.00 31.13 H new ATOM 0 HG3 GLU A 88 40.044 6.710 15.671 1.00 31.13 H new ATOM 1322 N ASP A 89 41.695 7.323 18.749 1.00 73.43 N ATOM 1323 CA ASP A 89 40.876 7.114 19.937 1.00 1.45 C ATOM 1324 C ASP A 89 39.427 7.513 19.676 1.00 0.10 C ATOM 1325 O ASP A 89 38.635 7.660 20.607 1.00 24.55 O ATOM 1326 CB ASP A 89 41.434 7.916 21.114 1.00 4.31 C ATOM 1327 CG ASP A 89 41.768 9.346 20.734 1.00 33.33 C ATOM 1328 OD1 ASP A 89 42.852 9.568 20.157 1.00 40.14 O ATOM 1329 OD2 ASP A 89 40.945 10.242 21.016 1.00 53.13 O ATOM 0 H ASP A 89 42.139 8.240 18.698 1.00 73.43 H new ATOM 0 HA ASP A 89 40.903 6.053 20.184 1.00 1.45 H new ATOM 0 HB2 ASP A 89 40.706 7.919 21.925 1.00 4.31 H new ATOM 0 HB3 ASP A 89 42.331 7.425 21.492 1.00 4.31 H new ATOM 1334 N ASP A 90 39.087 7.688 18.404 1.00 44.22 N ATOM 1335 CA ASP A 90 37.734 8.070 18.019 1.00 15.14 C ATOM 1336 C ASP A 90 37.094 6.997 17.144 1.00 32.22 C ATOM 1337 O ASP A 90 36.440 7.303 16.147 1.00 13.33 O ATOM 1338 CB ASP A 90 37.749 9.408 17.278 1.00 22.20 C ATOM 1339 CG ASP A 90 38.062 10.574 18.195 1.00 50.24 C ATOM 1340 OD1 ASP A 90 38.722 10.353 19.231 1.00 2.11 O ATOM 1341 OD2 ASP A 90 37.646 11.708 17.876 1.00 32.10 O ATOM 0 H ASP A 90 39.731 7.571 17.621 1.00 44.22 H new ATOM 0 HA ASP A 90 37.141 8.174 18.928 1.00 15.14 H new ATOM 0 HB2 ASP A 90 38.489 9.369 16.479 1.00 22.20 H new ATOM 0 HB3 ASP A 90 36.780 9.570 16.807 1.00 22.20 H new ATOM 1346 N ASP A 91 37.288 5.739 17.523 1.00 22.41 N ATOM 1347 CA ASP A 91 36.730 4.619 16.773 1.00 44.30 C ATOM 1348 C ASP A 91 35.215 4.555 16.939 1.00 43.45 C ATOM 1349 O ASP A 91 34.707 4.417 18.051 1.00 1.03 O ATOM 1350 CB ASP A 91 37.362 3.304 17.233 1.00 41.34 C ATOM 1351 CG ASP A 91 36.700 2.093 16.605 1.00 14.54 C ATOM 1352 OD1 ASP A 91 36.229 2.204 15.454 1.00 55.31 O ATOM 1353 OD2 ASP A 91 36.653 1.035 17.266 1.00 72.23 O ATOM 0 H ASP A 91 37.828 5.469 18.345 1.00 22.41 H new ATOM 0 HA ASP A 91 36.956 4.772 15.718 1.00 44.30 H new ATOM 0 HB2 ASP A 91 38.423 3.306 16.981 1.00 41.34 H new ATOM 0 HB3 ASP A 91 37.292 3.231 18.318 1.00 41.34 H new ATOM 1358 N VAL A 92 34.498 4.658 15.824 1.00 44.21 N ATOM 1359 CA VAL A 92 33.041 4.612 15.845 1.00 2.11 C ATOM 1360 C VAL A 92 32.524 3.304 15.258 1.00 62.25 C ATOM 1361 O VAL A 92 33.153 2.716 14.377 1.00 53.23 O ATOM 1362 CB VAL A 92 32.431 5.790 15.063 1.00 50.22 C ATOM 1363 CG1 VAL A 92 33.105 7.097 15.453 1.00 62.32 C ATOM 1364 CG2 VAL A 92 32.543 5.549 13.565 1.00 52.41 C ATOM 0 H VAL A 92 34.903 4.774 14.895 1.00 44.21 H new ATOM 0 HA VAL A 92 32.737 4.683 16.889 1.00 2.11 H new ATOM 0 HB VAL A 92 31.374 5.864 15.318 1.00 50.22 H new ATOM 0 HG11 VAL A 92 32.661 7.918 14.890 1.00 62.32 H new ATOM 0 HG12 VAL A 92 32.968 7.273 16.520 1.00 62.32 H new ATOM 0 HG13 VAL A 92 34.170 7.038 15.229 1.00 62.32 H new ATOM 0 HG21 VAL A 92 32.107 6.391 13.027 1.00 52.41 H new ATOM 0 HG22 VAL A 92 33.593 5.447 13.290 1.00 52.41 H new ATOM 0 HG23 VAL A 92 32.009 4.636 13.303 1.00 52.41 H new ATOM 1374 N ILE A 93 31.375 2.854 15.750 1.00 23.43 N ATOM 1375 CA ILE A 93 30.773 1.615 15.273 1.00 52.34 C ATOM 1376 C ILE A 93 29.278 1.791 15.026 1.00 63.42 C ATOM 1377 O ILE A 93 28.497 1.940 15.965 1.00 32.33 O ATOM 1378 CB ILE A 93 30.985 0.464 16.273 1.00 71.41 C ATOM 1379 CG1 ILE A 93 32.450 0.402 16.710 1.00 71.21 C ATOM 1380 CG2 ILE A 93 30.554 -0.859 15.657 1.00 70.11 C ATOM 1381 CD1 ILE A 93 33.404 0.083 15.581 1.00 63.54 C ATOM 0 H ILE A 93 30.842 3.329 16.479 1.00 23.43 H new ATOM 0 HA ILE A 93 31.267 1.364 14.335 1.00 52.34 H new ATOM 0 HB ILE A 93 30.370 0.650 17.154 1.00 71.41 H new ATOM 0 HG12 ILE A 93 32.730 1.358 17.152 1.00 71.21 H new ATOM 0 HG13 ILE A 93 32.557 -0.353 17.489 1.00 71.21 H new ATOM 0 HG21 ILE A 93 30.710 -1.663 16.376 1.00 70.11 H new ATOM 0 HG22 ILE A 93 29.498 -0.810 15.391 1.00 70.11 H new ATOM 0 HG23 ILE A 93 31.145 -1.053 14.762 1.00 70.11 H new ATOM 0 HD11 ILE A 93 34.424 0.055 15.964 1.00 63.54 H new ATOM 0 HD12 ILE A 93 33.150 -0.887 15.153 1.00 63.54 H new ATOM 0 HD13 ILE A 93 33.326 0.851 14.811 1.00 63.54 H new ATOM 1393 N ASP A 94 28.888 1.770 13.756 1.00 34.23 N ATOM 1394 CA ASP A 94 27.486 1.924 13.385 1.00 32.51 C ATOM 1395 C ASP A 94 26.799 0.565 13.281 1.00 1.21 C ATOM 1396 O ASP A 94 27.011 -0.177 12.323 1.00 45.24 O ATOM 1397 CB ASP A 94 27.367 2.672 12.057 1.00 70.04 C ATOM 1398 CG ASP A 94 27.278 4.174 12.244 1.00 21.21 C ATOM 1399 OD1 ASP A 94 28.091 4.724 13.016 1.00 32.11 O ATOM 1400 OD2 ASP A 94 26.395 4.799 11.620 1.00 63.15 O ATOM 0 H ASP A 94 29.522 1.648 12.967 1.00 34.23 H new ATOM 0 HA ASP A 94 26.991 2.503 14.165 1.00 32.51 H new ATOM 0 HB2 ASP A 94 28.229 2.437 11.433 1.00 70.04 H new ATOM 0 HB3 ASP A 94 26.483 2.322 11.524 1.00 70.04 H new ATOM 1405 N ALA A 95 25.976 0.246 14.275 1.00 41.34 N ATOM 1406 CA ALA A 95 25.258 -1.022 14.294 1.00 12.14 C ATOM 1407 C ALA A 95 24.102 -1.013 13.300 1.00 34.41 C ATOM 1408 O ALA A 95 23.190 -0.193 13.401 1.00 43.52 O ATOM 1409 CB ALA A 95 24.748 -1.318 15.697 1.00 1.11 C ATOM 0 H ALA A 95 25.790 0.848 15.077 1.00 41.34 H new ATOM 0 HA ALA A 95 25.952 -1.809 13.997 1.00 12.14 H new ATOM 0 HB1 ALA A 95 24.214 -2.268 15.697 1.00 1.11 H new ATOM 0 HB2 ALA A 95 25.591 -1.376 16.386 1.00 1.11 H new ATOM 0 HB3 ALA A 95 24.074 -0.522 16.014 1.00 1.11 H new ATOM 1415 N MET A 96 24.146 -1.932 12.340 1.00 10.43 N ATOM 1416 CA MET A 96 23.101 -2.029 11.328 1.00 71.31 C ATOM 1417 C MET A 96 22.389 -3.376 11.409 1.00 23.14 C ATOM 1418 O MET A 96 22.960 -4.364 11.873 1.00 52.24 O ATOM 1419 CB MET A 96 23.695 -1.837 9.931 1.00 15.41 C ATOM 1420 CG MET A 96 23.702 -0.389 9.469 1.00 43.35 C ATOM 1421 SD MET A 96 22.624 -0.107 8.051 1.00 45.32 S ATOM 1422 CE MET A 96 23.596 1.072 7.116 1.00 1.40 C ATOM 0 H MET A 96 24.893 -2.619 12.242 1.00 10.43 H new ATOM 0 HA MET A 96 22.373 -1.241 11.517 1.00 71.31 H new ATOM 0 HB2 MET A 96 24.716 -2.217 9.924 1.00 15.41 H new ATOM 0 HB3 MET A 96 23.127 -2.435 9.218 1.00 15.41 H new ATOM 0 HG2 MET A 96 23.388 0.253 10.292 1.00 43.35 H new ATOM 0 HG3 MET A 96 24.720 -0.099 9.210 1.00 43.35 H new ATOM 0 HE1 MET A 96 23.061 1.345 6.207 1.00 1.40 H new ATOM 0 HE2 MET A 96 23.765 1.964 7.719 1.00 1.40 H new ATOM 0 HE3 MET A 96 24.555 0.625 6.852 1.00 1.40 H new ATOM 1432 N VAL A 97 21.140 -3.409 10.957 1.00 51.34 N ATOM 1433 CA VAL A 97 20.351 -4.635 10.978 1.00 51.43 C ATOM 1434 C VAL A 97 20.179 -5.202 9.573 1.00 3.11 C ATOM 1435 O VAL A 97 19.849 -4.476 8.636 1.00 4.43 O ATOM 1436 CB VAL A 97 18.961 -4.397 11.597 1.00 53.32 C ATOM 1437 CG1 VAL A 97 19.091 -3.905 13.030 1.00 24.34 C ATOM 1438 CG2 VAL A 97 18.166 -3.409 10.756 1.00 34.03 C ATOM 0 H VAL A 97 20.652 -2.600 10.572 1.00 51.34 H new ATOM 0 HA VAL A 97 20.896 -5.352 11.592 1.00 51.43 H new ATOM 0 HB VAL A 97 18.422 -5.344 11.611 1.00 53.32 H new ATOM 0 HG11 VAL A 97 18.099 -3.742 13.450 1.00 24.34 H new ATOM 0 HG12 VAL A 97 19.619 -4.651 13.624 1.00 24.34 H new ATOM 0 HG13 VAL A 97 19.649 -2.969 13.044 1.00 24.34 H new ATOM 0 HG21 VAL A 97 17.186 -3.252 11.208 1.00 34.03 H new ATOM 0 HG22 VAL A 97 18.700 -2.460 10.708 1.00 34.03 H new ATOM 0 HG23 VAL A 97 18.042 -3.806 9.749 1.00 34.03 H new ATOM 1448 N GLU A 98 20.405 -6.505 9.435 1.00 2.33 N ATOM 1449 CA GLU A 98 20.276 -7.169 8.144 1.00 74.31 C ATOM 1450 C GLU A 98 19.015 -8.029 8.098 1.00 4.33 C ATOM 1451 O GLU A 98 19.003 -9.156 8.591 1.00 64.30 O ATOM 1452 CB GLU A 98 21.506 -8.034 7.865 1.00 64.43 C ATOM 1453 CG GLU A 98 22.809 -7.253 7.851 1.00 43.21 C ATOM 1454 CD GLU A 98 23.689 -7.607 6.668 1.00 43.52 C ATOM 1455 OE1 GLU A 98 23.768 -8.804 6.323 1.00 23.14 O ATOM 1456 OE2 GLU A 98 24.299 -6.685 6.086 1.00 0.41 O ATOM 0 H GLU A 98 20.678 -7.121 10.201 1.00 2.33 H new ATOM 0 HA GLU A 98 20.200 -6.400 7.375 1.00 74.31 H new ATOM 0 HB2 GLU A 98 21.569 -8.816 8.622 1.00 64.43 H new ATOM 0 HB3 GLU A 98 21.380 -8.531 6.903 1.00 64.43 H new ATOM 0 HG2 GLU A 98 22.588 -6.186 7.828 1.00 43.21 H new ATOM 0 HG3 GLU A 98 23.354 -7.446 8.775 1.00 43.21 H new ATOM 1463 N GLN A 99 17.958 -7.486 7.504 1.00 75.31 N ATOM 1464 CA GLN A 99 16.692 -8.203 7.395 1.00 2.42 C ATOM 1465 C GLN A 99 16.238 -8.716 8.758 1.00 44.13 C ATOM 1466 O GLN A 99 15.935 -9.899 8.919 1.00 52.45 O ATOM 1467 CB GLN A 99 16.825 -9.370 6.416 1.00 42.14 C ATOM 1468 CG GLN A 99 17.034 -8.934 4.974 1.00 11.13 C ATOM 1469 CD GLN A 99 16.051 -9.583 4.020 1.00 11.11 C ATOM 1470 OE1 GLN A 99 15.137 -8.931 3.514 1.00 32.21 O ATOM 1471 NE2 GLN A 99 16.234 -10.874 3.769 1.00 51.24 N ATOM 0 H GLN A 99 17.952 -6.553 7.091 1.00 75.31 H new ATOM 0 HA GLN A 99 15.941 -7.508 7.020 1.00 2.42 H new ATOM 0 HB2 GLN A 99 17.663 -9.997 6.722 1.00 42.14 H new ATOM 0 HB3 GLN A 99 15.928 -9.986 6.474 1.00 42.14 H new ATOM 0 HG2 GLN A 99 16.937 -7.850 4.908 1.00 11.13 H new ATOM 0 HG3 GLN A 99 18.050 -9.182 4.667 1.00 11.13 H new ATOM 0 HE21 GLN A 99 17.005 -11.375 4.211 1.00 51.24 H new ATOM 0 HE22 GLN A 99 15.604 -11.365 3.135 1.00 51.24 H new ATOM 1480 N THR A 100 16.195 -7.819 9.738 1.00 35.01 N ATOM 1481 CA THR A 100 15.780 -8.181 11.087 1.00 35.24 C ATOM 1482 C THR A 100 15.088 -7.014 11.782 1.00 1.30 C ATOM 1483 O THR A 100 15.542 -5.873 11.701 1.00 62.23 O ATOM 1484 CB THR A 100 16.979 -8.635 11.941 1.00 14.43 C ATOM 1485 OG1 THR A 100 17.871 -9.427 11.151 1.00 64.25 O ATOM 1486 CG2 THR A 100 16.512 -9.437 13.146 1.00 21.24 C ATOM 0 H THR A 100 16.443 -6.836 9.622 1.00 35.01 H new ATOM 0 HA THR A 100 15.078 -9.009 10.990 1.00 35.24 H new ATOM 0 HB THR A 100 17.501 -7.747 12.296 1.00 14.43 H new ATOM 0 HG1 THR A 100 18.631 -9.710 11.701 1.00 64.25 H new ATOM 0 HG21 THR A 100 17.376 -9.747 13.734 1.00 21.24 H new ATOM 0 HG22 THR A 100 15.856 -8.821 13.761 1.00 21.24 H new ATOM 0 HG23 THR A 100 15.968 -10.319 12.808 1.00 21.24 H new ATOM 1494 N GLY A 101 13.986 -7.306 12.466 1.00 23.45 N ATOM 1495 CA GLY A 101 13.250 -6.270 13.166 1.00 3.32 C ATOM 1496 C GLY A 101 11.976 -5.877 12.446 1.00 34.01 C ATOM 1497 O GLY A 101 11.629 -6.461 11.420 1.00 0.40 O ATOM 0 H GLY A 101 13.590 -8.242 12.548 1.00 23.45 H new ATOM 0 HA2 GLY A 101 13.004 -6.618 14.169 1.00 3.32 H new ATOM 0 HA3 GLY A 101 13.885 -5.391 13.280 1.00 3.32 H new ATOM 1501 N GLY A 102 11.274 -4.885 12.986 1.00 0.11 N ATOM 1502 CA GLY A 102 10.037 -4.433 12.376 1.00 62.30 C ATOM 1503 C GLY A 102 8.877 -5.368 12.656 1.00 64.41 C ATOM 1504 O GLY A 102 8.978 -6.257 13.502 1.00 42.12 O ATOM 0 H GLY A 102 11.540 -4.386 13.835 1.00 0.11 H new ATOM 0 HA2 GLY A 102 9.795 -3.437 12.748 1.00 62.30 H new ATOM 0 HA3 GLY A 102 10.177 -4.346 11.299 1.00 62.30 H new TER 1508 GLY A 102