USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1111 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 91 THR OG1 : rot -61:sc= 0.444 USER MOD Set 1.2: A 93 CYS SG : rot -94:sc= -7.97! USER MOD Set 1.3: A 114 GLN : amide:sc= -1.9! C(o=-10!,f=-12!) USER MOD Set 1.4: A 121 THR OG1 : rot 120:sc= -0.544! USER MOD Set 2.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 TYR OH : rot 39:sc= 0.0272 USER MOD Set 3.1: A 64 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.1) USER MOD Set 3.2: A 70 THR OG1 : rot 70:sc= 0 USER MOD Set 4.1: A 44 HIS : no HD1:sc= -2.7! C(o=-5.2!,f=-9.3!) USER MOD Set 4.2: A 46 GLN : amide:sc= -2.45! K(o=-5.2!,f=-1.5) USER MOD Set 5.1: A 25 ASN : amide:sc= -0.16 X(o=-0.58,f=-0.51) USER MOD Set 5.2: A 88 GLN : amide:sc= -0.423 K(o=-0.58,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0.0601 K(o=0.06,f=-1.9) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.000878 X(o=-0.00088,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 9 SER OG : rot 34:sc= 0.0439 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.00035) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -161:sc= -0.191 (180deg=-0.714) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 76:sc= 0.5 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0.148 K(o=0.39,f=-2.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 60 GLN : amide:sc= -0.978 K(o=-0.98,f=-0.25) USER MOD Single : A 61 MET CE :methyl -174:sc= -0.151 (180deg=-0.324) USER MOD Single : A 67 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.018) USER MOD Single : A 69 GLN : amide:sc= -0.345 K(o=-0.35,f=-4.3!) USER MOD Single : A 73 MET CE :methyl -162:sc= -0.0863 (180deg=-0.676) USER MOD Single : A 74 SER OG : rot 62:sc= 1.29 USER MOD Single : A 78 SER OG : rot -154:sc= -0.676 USER MOD Single : A 86 SER OG : rot 36:sc= -1.2 USER MOD Single : A 97 THR OG1 : rot 130:sc= -0.413 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 42:sc= 0.346 USER MOD Single : A 108 MET CE :methyl -136:sc= -0.536 (180deg=-0.985) USER MOD Single : A 109 GLN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD Single : A 111 SER OG : rot -28:sc= -0.0117 USER MOD Single : A 113 LYS NZ :NH3+ -107:sc= 1.24 (180deg=0.333) USER MOD Single : A 115 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.9!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.54) USER MOD Single : A 124 SER OG : rot 170:sc= 0 USER MOD Single : A 127 SER OG : rot 12:sc= 0.536 USER MOD Single : A 131 THR OG1 : rot 74:sc= 0.356 USER MOD Single : A 135 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 5:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.516 43.936 8.996 1.00 63.21 N ATOM 2 CA MET A 1 -35.367 43.820 7.787 1.00 35.00 C ATOM 3 C MET A 1 -34.589 44.381 6.582 1.00 13.11 C ATOM 4 O MET A 1 -34.599 45.598 6.345 1.00 31.42 O ATOM 5 CB MET A 1 -36.720 44.572 7.999 1.00 20.42 C ATOM 6 CG MET A 1 -37.742 44.433 6.852 1.00 3.24 C ATOM 7 SD MET A 1 -39.255 45.383 7.165 1.00 23.40 S ATOM 8 CE MET A 1 -40.289 44.952 5.759 1.00 10.41 C ATOM 0 H1 MET A 1 -35.029 43.560 9.819 1.00 63.21 H new ATOM 0 H2 MET A 1 -33.640 43.393 8.857 1.00 63.21 H new ATOM 0 H3 MET A 1 -34.282 44.936 9.161 1.00 63.21 H new ATOM 0 HA MET A 1 -35.608 42.774 7.596 1.00 35.00 H new ATOM 0 HB2 MET A 1 -37.179 44.207 8.918 1.00 20.42 H new ATOM 0 HB3 MET A 1 -36.508 45.631 8.148 1.00 20.42 H new ATOM 0 HG2 MET A 1 -37.289 44.771 5.920 1.00 3.24 H new ATOM 0 HG3 MET A 1 -37.996 43.381 6.719 1.00 3.24 H new ATOM 0 HE1 MET A 1 -41.244 45.472 5.837 1.00 10.41 H new ATOM 0 HE2 MET A 1 -39.790 45.247 4.836 1.00 10.41 H new ATOM 0 HE3 MET A 1 -40.461 43.876 5.750 1.00 10.41 H new ATOM 20 N GLY A 2 -33.875 43.490 5.863 1.00 53.02 N ATOM 21 CA GLY A 2 -33.051 43.870 4.714 1.00 60.41 C ATOM 22 C GLY A 2 -33.890 44.260 3.500 1.00 43.41 C ATOM 23 O GLY A 2 -34.236 43.403 2.677 1.00 12.11 O ATOM 0 H GLY A 2 -33.858 42.491 6.068 1.00 53.02 H new ATOM 0 HA2 GLY A 2 -32.408 44.705 4.992 1.00 60.41 H new ATOM 0 HA3 GLY A 2 -32.397 43.039 4.449 1.00 60.41 H new ATOM 27 N HIS A 3 -34.237 45.558 3.412 1.00 40.22 N ATOM 28 CA HIS A 3 -35.071 46.104 2.324 1.00 51.31 C ATOM 29 C HIS A 3 -34.330 46.032 0.979 1.00 64.31 C ATOM 30 O HIS A 3 -33.249 46.613 0.835 1.00 14.44 O ATOM 31 CB HIS A 3 -35.492 47.566 2.636 1.00 5.02 C ATOM 32 CG HIS A 3 -36.361 47.693 3.858 1.00 44.13 C ATOM 33 ND1 HIS A 3 -35.947 48.298 5.028 1.00 2.24 N ATOM 34 CD2 HIS A 3 -37.628 47.280 4.089 1.00 3.01 C ATOM 35 CE1 HIS A 3 -36.914 48.238 5.917 1.00 64.33 C ATOM 36 NE2 HIS A 3 -37.938 47.628 5.371 1.00 62.11 N ATOM 0 H HIS A 3 -33.947 46.259 4.094 1.00 40.22 H new ATOM 0 HA HIS A 3 -35.972 45.495 2.251 1.00 51.31 H new ATOM 0 HB2 HIS A 3 -34.596 48.172 2.772 1.00 5.02 H new ATOM 0 HB3 HIS A 3 -36.025 47.973 1.777 1.00 5.02 H new ATOM 0 HD2 HIS A 3 -38.274 46.770 3.389 1.00 3.01 H new ATOM 0 HE1 HIS A 3 -36.872 48.625 6.924 1.00 64.33 H new ATOM 0 HE2 HIS A 3 -38.828 47.442 5.833 1.00 62.11 H new ATOM 45 N HIS A 4 -34.916 45.267 0.032 1.00 13.41 N ATOM 46 CA HIS A 4 -34.395 45.065 -1.335 1.00 75.13 C ATOM 47 C HIS A 4 -33.074 44.275 -1.311 1.00 4.20 C ATOM 48 O HIS A 4 -32.262 44.383 -2.235 1.00 2.03 O ATOM 49 CB HIS A 4 -34.255 46.418 -2.097 1.00 51.14 C ATOM 50 CG HIS A 4 -35.558 47.163 -2.267 1.00 50.52 C ATOM 51 ND1 HIS A 4 -35.782 48.430 -1.767 1.00 51.42 N ATOM 52 CD2 HIS A 4 -36.697 46.822 -2.919 1.00 54.45 C ATOM 53 CE1 HIS A 4 -36.990 48.828 -2.104 1.00 52.02 C ATOM 54 NE2 HIS A 4 -37.562 47.874 -2.801 1.00 74.01 N ATOM 0 H HIS A 4 -35.785 44.761 0.203 1.00 13.41 H new ATOM 0 HA HIS A 4 -35.120 44.466 -1.886 1.00 75.13 H new ATOM 0 HB2 HIS A 4 -33.551 47.055 -1.561 1.00 51.14 H new ATOM 0 HB3 HIS A 4 -33.826 46.227 -3.081 1.00 51.14 H new ATOM 0 HD2 HIS A 4 -36.886 45.892 -3.435 1.00 54.45 H new ATOM 0 HE1 HIS A 4 -37.435 49.779 -1.850 1.00 52.02 H new ATOM 0 HE2 HIS A 4 -38.503 47.912 -3.193 1.00 74.01 H new ATOM 63 N HIS A 5 -32.891 43.448 -0.255 1.00 15.24 N ATOM 64 CA HIS A 5 -31.712 42.583 -0.111 1.00 15.34 C ATOM 65 C HIS A 5 -31.744 41.471 -1.172 1.00 2.10 C ATOM 66 O HIS A 5 -32.523 40.514 -1.066 1.00 72.44 O ATOM 67 CB HIS A 5 -31.626 41.968 1.311 1.00 44.34 C ATOM 68 CG HIS A 5 -30.481 40.996 1.487 1.00 64.12 C ATOM 69 ND1 HIS A 5 -30.661 39.660 1.778 1.00 30.12 N ATOM 70 CD2 HIS A 5 -29.138 41.177 1.403 1.00 22.43 C ATOM 71 CE1 HIS A 5 -29.487 39.068 1.860 1.00 50.13 C ATOM 72 NE2 HIS A 5 -28.552 39.963 1.640 1.00 51.53 N ATOM 0 H HIS A 5 -33.557 43.367 0.514 1.00 15.24 H new ATOM 0 HA HIS A 5 -30.824 43.197 -0.259 1.00 15.34 H new ATOM 0 HB2 HIS A 5 -31.523 42.773 2.039 1.00 44.34 H new ATOM 0 HB3 HIS A 5 -32.562 41.456 1.533 1.00 44.34 H new ATOM 0 HD2 HIS A 5 -28.628 42.105 1.189 1.00 22.43 H new ATOM 0 HE1 HIS A 5 -29.321 38.022 2.073 1.00 50.13 H new ATOM 0 HE2 HIS A 5 -27.548 39.782 1.645 1.00 51.53 H new ATOM 81 N HIS A 6 -30.914 41.642 -2.204 1.00 21.32 N ATOM 82 CA HIS A 6 -30.748 40.665 -3.281 1.00 61.03 C ATOM 83 C HIS A 6 -29.639 39.679 -2.919 1.00 33.31 C ATOM 84 O HIS A 6 -28.596 40.079 -2.379 1.00 73.00 O ATOM 85 CB HIS A 6 -30.400 41.381 -4.612 1.00 34.52 C ATOM 86 CG HIS A 6 -31.502 42.263 -5.127 1.00 43.40 C ATOM 87 ND1 HIS A 6 -31.433 43.637 -5.125 1.00 51.53 N ATOM 88 CD2 HIS A 6 -32.706 41.954 -5.663 1.00 42.02 C ATOM 89 CE1 HIS A 6 -32.538 44.129 -5.635 1.00 42.45 C ATOM 90 NE2 HIS A 6 -33.326 43.133 -5.968 1.00 70.53 N ATOM 0 H HIS A 6 -30.332 42.472 -2.316 1.00 21.32 H new ATOM 0 HA HIS A 6 -31.685 40.123 -3.409 1.00 61.03 H new ATOM 0 HB2 HIS A 6 -29.502 41.982 -4.467 1.00 34.52 H new ATOM 0 HB3 HIS A 6 -30.163 40.631 -5.367 1.00 34.52 H new ATOM 0 HD2 HIS A 6 -33.102 40.962 -5.820 1.00 42.02 H new ATOM 0 HE1 HIS A 6 -32.762 45.178 -5.760 1.00 42.45 H new ATOM 0 HE2 HIS A 6 -34.252 43.224 -6.387 1.00 70.53 H new ATOM 99 N HIS A 7 -29.884 38.391 -3.202 1.00 32.22 N ATOM 100 CA HIS A 7 -28.852 37.357 -3.131 1.00 21.43 C ATOM 101 C HIS A 7 -27.961 37.490 -4.375 1.00 11.13 C ATOM 102 O HIS A 7 -28.402 37.191 -5.491 1.00 45.44 O ATOM 103 CB HIS A 7 -29.480 35.936 -3.063 1.00 11.55 C ATOM 104 CG HIS A 7 -28.476 34.831 -2.812 1.00 13.33 C ATOM 105 ND1 HIS A 7 -28.325 34.228 -1.586 1.00 22.03 N ATOM 106 CD2 HIS A 7 -27.571 34.224 -3.628 1.00 3.22 C ATOM 107 CE1 HIS A 7 -27.380 33.319 -1.654 1.00 54.31 C ATOM 108 NE2 HIS A 7 -26.909 33.295 -2.879 1.00 62.13 N ATOM 0 H HIS A 7 -30.800 38.042 -3.485 1.00 32.22 H new ATOM 0 HA HIS A 7 -28.263 37.491 -2.224 1.00 21.43 H new ATOM 0 HB2 HIS A 7 -30.230 35.919 -2.272 1.00 11.55 H new ATOM 0 HB3 HIS A 7 -30.000 35.735 -3.999 1.00 11.55 H new ATOM 0 HD2 HIS A 7 -27.407 34.438 -4.674 1.00 3.22 H new ATOM 0 HE1 HIS A 7 -27.046 32.695 -0.838 1.00 54.31 H new ATOM 0 HE2 HIS A 7 -26.168 32.681 -3.217 1.00 62.13 H new ATOM 117 N HIS A 8 -26.737 37.997 -4.179 1.00 23.13 N ATOM 118 CA HIS A 8 -25.715 38.058 -5.238 1.00 73.13 C ATOM 119 C HIS A 8 -25.000 36.706 -5.321 1.00 35.43 C ATOM 120 O HIS A 8 -24.574 36.159 -4.292 1.00 64.44 O ATOM 121 CB HIS A 8 -24.704 39.203 -4.963 1.00 34.23 C ATOM 122 CG HIS A 8 -25.267 40.581 -5.201 1.00 72.14 C ATOM 123 ND1 HIS A 8 -24.842 41.399 -6.229 1.00 24.23 N ATOM 124 CD2 HIS A 8 -26.216 41.287 -4.539 1.00 3.24 C ATOM 125 CE1 HIS A 8 -25.496 42.538 -6.182 1.00 20.24 C ATOM 126 NE2 HIS A 8 -26.333 42.499 -5.168 1.00 72.25 N ATOM 0 H HIS A 8 -26.425 38.376 -3.285 1.00 23.13 H new ATOM 0 HA HIS A 8 -26.196 38.269 -6.193 1.00 73.13 H new ATOM 0 HB2 HIS A 8 -24.362 39.133 -3.930 1.00 34.23 H new ATOM 0 HB3 HIS A 8 -23.829 39.063 -5.598 1.00 34.23 H new ATOM 0 HD2 HIS A 8 -26.776 40.956 -3.677 1.00 3.24 H new ATOM 0 HE1 HIS A 8 -25.368 43.367 -6.862 1.00 20.24 H new ATOM 0 HE2 HIS A 8 -26.967 43.250 -4.894 1.00 72.25 H new ATOM 135 N SER A 9 -24.901 36.166 -6.543 1.00 43.35 N ATOM 136 CA SER A 9 -24.294 34.855 -6.795 1.00 70.25 C ATOM 137 C SER A 9 -22.761 34.957 -6.734 1.00 33.02 C ATOM 138 O SER A 9 -22.160 35.819 -7.394 1.00 31.32 O ATOM 139 CB SER A 9 -24.760 34.314 -8.172 1.00 14.44 C ATOM 140 OG SER A 9 -24.488 35.237 -9.221 1.00 45.11 O ATOM 0 H SER A 9 -25.241 36.629 -7.386 1.00 43.35 H new ATOM 0 HA SER A 9 -24.617 34.157 -6.023 1.00 70.25 H new ATOM 0 HB2 SER A 9 -24.258 33.369 -8.380 1.00 14.44 H new ATOM 0 HB3 SER A 9 -25.830 34.107 -8.138 1.00 14.44 H new ATOM 0 HG SER A 9 -23.654 35.714 -9.029 1.00 45.11 H new ATOM 146 N HIS A 10 -22.146 34.105 -5.893 1.00 61.30 N ATOM 147 CA HIS A 10 -20.685 33.965 -5.821 1.00 71.22 C ATOM 148 C HIS A 10 -20.178 33.299 -7.111 1.00 31.43 C ATOM 149 O HIS A 10 -20.398 32.094 -7.316 1.00 34.31 O ATOM 150 CB HIS A 10 -20.247 33.110 -4.595 1.00 45.14 C ATOM 151 CG HIS A 10 -20.557 33.700 -3.245 1.00 55.35 C ATOM 152 ND1 HIS A 10 -21.155 32.978 -2.235 1.00 73.21 N ATOM 153 CD2 HIS A 10 -20.259 34.904 -2.710 1.00 34.24 C ATOM 154 CE1 HIS A 10 -21.209 33.713 -1.146 1.00 71.54 C ATOM 155 NE2 HIS A 10 -20.673 34.882 -1.409 1.00 31.02 N ATOM 0 H HIS A 10 -22.649 33.497 -5.247 1.00 61.30 H new ATOM 0 HA HIS A 10 -20.255 34.960 -5.708 1.00 71.22 H new ATOM 0 HB2 HIS A 10 -20.729 32.135 -4.664 1.00 45.14 H new ATOM 0 HB3 HIS A 10 -19.172 32.940 -4.659 1.00 45.14 H new ATOM 0 HD2 HIS A 10 -19.782 35.730 -3.217 1.00 34.24 H new ATOM 0 HE1 HIS A 10 -21.624 33.407 -0.197 1.00 71.54 H new ATOM 0 HE2 HIS A 10 -20.580 35.652 -0.746 1.00 31.02 H new ATOM 164 N MET A 11 -19.566 34.101 -8.004 1.00 23.03 N ATOM 165 CA MET A 11 -18.860 33.570 -9.180 1.00 52.01 C ATOM 166 C MET A 11 -17.681 32.712 -8.694 1.00 32.12 C ATOM 167 O MET A 11 -16.722 33.239 -8.105 1.00 11.10 O ATOM 168 CB MET A 11 -18.359 34.709 -10.110 1.00 51.11 C ATOM 169 CG MET A 11 -17.528 34.235 -11.319 1.00 23.11 C ATOM 170 SD MET A 11 -16.908 35.615 -12.310 1.00 14.43 S ATOM 171 CE MET A 11 -15.846 34.771 -13.485 1.00 5.41 C ATOM 0 H MET A 11 -19.548 35.118 -7.931 1.00 23.03 H new ATOM 0 HA MET A 11 -19.550 32.963 -9.766 1.00 52.01 H new ATOM 0 HB2 MET A 11 -19.221 35.267 -10.475 1.00 51.11 H new ATOM 0 HB3 MET A 11 -17.757 35.402 -9.522 1.00 51.11 H new ATOM 0 HG2 MET A 11 -16.687 33.637 -10.967 1.00 23.11 H new ATOM 0 HG3 MET A 11 -18.140 33.587 -11.946 1.00 23.11 H new ATOM 0 HE1 MET A 11 -15.397 35.501 -14.159 1.00 5.41 H new ATOM 0 HE2 MET A 11 -15.060 34.240 -12.949 1.00 5.41 H new ATOM 0 HE3 MET A 11 -16.436 34.059 -14.062 1.00 5.41 H new ATOM 181 N GLN A 12 -17.806 31.392 -8.884 1.00 12.25 N ATOM 182 CA GLN A 12 -16.774 30.421 -8.499 1.00 61.20 C ATOM 183 C GLN A 12 -15.496 30.644 -9.324 1.00 31.43 C ATOM 184 O GLN A 12 -15.561 31.028 -10.498 1.00 34.32 O ATOM 185 CB GLN A 12 -17.303 28.962 -8.661 1.00 34.01 C ATOM 186 CG GLN A 12 -17.797 28.596 -10.081 1.00 1.02 C ATOM 187 CD GLN A 12 -18.455 27.211 -10.171 1.00 45.41 C ATOM 188 OE1 GLN A 12 -18.101 26.277 -9.443 1.00 34.31 O ATOM 189 NE2 GLN A 12 -19.433 27.066 -11.054 1.00 34.33 N ATOM 0 H GLN A 12 -18.629 30.966 -9.311 1.00 12.25 H new ATOM 0 HA GLN A 12 -16.529 30.571 -7.448 1.00 61.20 H new ATOM 0 HB2 GLN A 12 -16.508 28.271 -8.380 1.00 34.01 H new ATOM 0 HB3 GLN A 12 -18.122 28.809 -7.958 1.00 34.01 H new ATOM 0 HG2 GLN A 12 -18.511 29.350 -10.412 1.00 1.02 H new ATOM 0 HG3 GLN A 12 -16.953 28.632 -10.770 1.00 1.02 H new ATOM 0 HE21 GLN A 12 -19.708 27.851 -11.644 1.00 34.33 H new ATOM 0 HE22 GLN A 12 -19.911 26.169 -11.143 1.00 34.33 H new ATOM 198 N GLU A 13 -14.347 30.450 -8.672 1.00 23.33 N ATOM 199 CA GLU A 13 -13.024 30.484 -9.319 1.00 64.42 C ATOM 200 C GLU A 13 -12.778 29.162 -10.080 1.00 4.30 C ATOM 201 O GLU A 13 -13.645 28.273 -10.088 1.00 71.42 O ATOM 202 CB GLU A 13 -11.929 30.720 -8.240 1.00 72.30 C ATOM 203 CG GLU A 13 -11.937 29.676 -7.103 1.00 34.30 C ATOM 204 CD GLU A 13 -10.884 29.934 -6.020 1.00 31.43 C ATOM 205 OE1 GLU A 13 -11.129 30.772 -5.126 1.00 34.51 O ATOM 206 OE2 GLU A 13 -9.813 29.289 -6.045 1.00 14.31 O ATOM 0 H GLU A 13 -14.304 30.263 -7.670 1.00 23.33 H new ATOM 0 HA GLU A 13 -12.985 31.301 -10.039 1.00 64.42 H new ATOM 0 HB2 GLU A 13 -10.951 30.712 -8.721 1.00 72.30 H new ATOM 0 HB3 GLU A 13 -12.064 31.712 -7.810 1.00 72.30 H new ATOM 0 HG2 GLU A 13 -12.924 29.663 -6.641 1.00 34.30 H new ATOM 0 HG3 GLU A 13 -11.771 28.687 -7.529 1.00 34.30 H new ATOM 213 N LEU A 14 -11.611 29.044 -10.733 1.00 41.04 N ATOM 214 CA LEU A 14 -11.224 27.814 -11.456 1.00 1.13 C ATOM 215 C LEU A 14 -10.902 26.693 -10.436 1.00 24.43 C ATOM 216 O LEU A 14 -10.390 26.996 -9.359 1.00 12.42 O ATOM 217 CB LEU A 14 -10.016 28.075 -12.417 1.00 54.43 C ATOM 218 CG LEU A 14 -10.307 28.948 -13.693 1.00 72.53 C ATOM 219 CD1 LEU A 14 -10.620 30.421 -13.352 1.00 24.54 C ATOM 220 CD2 LEU A 14 -9.153 28.846 -14.715 1.00 31.23 C ATOM 0 H LEU A 14 -10.914 29.787 -10.777 1.00 41.04 H new ATOM 0 HA LEU A 14 -12.060 27.493 -12.078 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -9.225 28.560 -11.846 1.00 54.43 H new ATOM 0 HB3 LEU A 14 -9.627 27.111 -12.745 1.00 54.43 H new ATOM 0 HG LEU A 14 -11.207 28.537 -14.150 1.00 72.53 H new ATOM 0 HD11 LEU A 14 -10.812 30.974 -14.271 1.00 24.54 H new ATOM 0 HD12 LEU A 14 -11.500 30.467 -12.710 1.00 24.54 H new ATOM 0 HD13 LEU A 14 -9.769 30.863 -12.834 1.00 24.54 H new ATOM 0 HD21 LEU A 14 -9.383 29.460 -15.586 1.00 31.23 H new ATOM 0 HD22 LEU A 14 -8.229 29.198 -14.257 1.00 31.23 H new ATOM 0 HD23 LEU A 14 -9.032 27.808 -15.025 1.00 31.23 H new ATOM 232 N PRO A 15 -11.261 25.397 -10.733 1.00 12.03 N ATOM 233 CA PRO A 15 -10.974 24.243 -9.832 1.00 52.45 C ATOM 234 C PRO A 15 -9.496 24.166 -9.373 1.00 43.22 C ATOM 235 O PRO A 15 -8.582 24.108 -10.203 1.00 71.34 O ATOM 236 CB PRO A 15 -11.366 23.017 -10.700 1.00 72.44 C ATOM 237 CG PRO A 15 -12.439 23.534 -11.617 1.00 31.12 C ATOM 238 CD PRO A 15 -12.029 24.959 -11.943 1.00 11.31 C ATOM 0 HA PRO A 15 -11.525 24.314 -8.894 1.00 52.45 H new ATOM 0 HB2 PRO A 15 -10.512 22.639 -11.262 1.00 72.44 H new ATOM 0 HB3 PRO A 15 -11.732 22.195 -10.084 1.00 72.44 H new ATOM 0 HG2 PRO A 15 -12.511 22.928 -12.520 1.00 31.12 H new ATOM 0 HG3 PRO A 15 -13.416 23.506 -11.135 1.00 31.12 H new ATOM 0 HD2 PRO A 15 -11.416 25.003 -12.843 1.00 11.31 H new ATOM 0 HD3 PRO A 15 -12.897 25.595 -12.117 1.00 11.31 H new ATOM 246 N ASP A 16 -9.287 24.208 -8.040 1.00 2.34 N ATOM 247 CA ASP A 16 -7.955 24.090 -7.417 1.00 5.32 C ATOM 248 C ASP A 16 -7.553 22.607 -7.379 1.00 21.42 C ATOM 249 O ASP A 16 -6.669 22.181 -8.137 1.00 0.20 O ATOM 250 CB ASP A 16 -7.979 24.704 -5.984 1.00 45.41 C ATOM 251 CG ASP A 16 -6.640 24.587 -5.222 1.00 73.02 C ATOM 252 OD1 ASP A 16 -5.757 25.449 -5.411 1.00 12.14 O ATOM 253 OD2 ASP A 16 -6.459 23.636 -4.426 1.00 61.23 O ATOM 0 H ASP A 16 -10.042 24.325 -7.364 1.00 2.34 H new ATOM 0 HA ASP A 16 -7.218 24.641 -8.002 1.00 5.32 H new ATOM 0 HB2 ASP A 16 -8.252 25.757 -6.057 1.00 45.41 H new ATOM 0 HB3 ASP A 16 -8.759 24.212 -5.403 1.00 45.41 H new ATOM 258 N SER A 17 -8.245 21.831 -6.502 1.00 52.25 N ATOM 259 CA SER A 17 -8.073 20.362 -6.358 1.00 53.34 C ATOM 260 C SER A 17 -6.598 19.974 -6.053 1.00 52.01 C ATOM 261 O SER A 17 -5.853 20.776 -5.481 1.00 4.34 O ATOM 262 CB SER A 17 -8.623 19.655 -7.622 1.00 60.34 C ATOM 263 OG SER A 17 -9.954 20.069 -7.896 1.00 0.11 O ATOM 0 H SER A 17 -8.946 22.214 -5.868 1.00 52.25 H new ATOM 0 HA SER A 17 -8.647 20.022 -5.496 1.00 53.34 H new ATOM 0 HB2 SER A 17 -7.985 19.880 -8.476 1.00 60.34 H new ATOM 0 HB3 SER A 17 -8.596 18.575 -7.480 1.00 60.34 H new ATOM 0 HG SER A 17 -10.280 19.611 -8.699 1.00 0.11 H new ATOM 269 N GLY A 18 -6.198 18.731 -6.394 1.00 34.43 N ATOM 270 CA GLY A 18 -4.807 18.293 -6.258 1.00 44.30 C ATOM 271 C GLY A 18 -4.434 17.233 -7.289 1.00 64.33 C ATOM 272 O GLY A 18 -5.235 16.906 -8.164 1.00 34.31 O ATOM 0 H GLY A 18 -6.825 18.018 -6.765 1.00 34.43 H new ATOM 0 HA2 GLY A 18 -4.145 19.152 -6.367 1.00 44.30 H new ATOM 0 HA3 GLY A 18 -4.650 17.894 -5.256 1.00 44.30 H new ATOM 276 N ALA A 19 -3.211 16.697 -7.172 1.00 63.33 N ATOM 277 CA ALA A 19 -2.687 15.642 -8.056 1.00 11.40 C ATOM 278 C ALA A 19 -1.660 14.814 -7.273 1.00 12.35 C ATOM 279 O ALA A 19 -0.825 15.385 -6.557 1.00 54.21 O ATOM 280 CB ALA A 19 -2.059 16.253 -9.327 1.00 44.13 C ATOM 0 H ALA A 19 -2.548 16.986 -6.452 1.00 63.33 H new ATOM 0 HA ALA A 19 -3.502 14.995 -8.381 1.00 11.40 H new ATOM 0 HB1 ALA A 19 -1.679 15.455 -9.965 1.00 44.13 H new ATOM 0 HB2 ALA A 19 -2.815 16.822 -9.869 1.00 44.13 H new ATOM 0 HB3 ALA A 19 -1.239 16.914 -9.046 1.00 44.13 H new ATOM 286 N LEU A 20 -1.721 13.477 -7.413 1.00 61.02 N ATOM 287 CA LEU A 20 -0.848 12.561 -6.664 1.00 62.53 C ATOM 288 C LEU A 20 0.618 12.724 -7.127 1.00 13.01 C ATOM 289 O LEU A 20 1.021 12.206 -8.173 1.00 43.40 O ATOM 290 CB LEU A 20 -1.303 11.094 -6.878 1.00 11.30 C ATOM 291 CG LEU A 20 -0.535 10.006 -6.055 1.00 35.13 C ATOM 292 CD1 LEU A 20 -0.996 9.976 -4.596 1.00 24.34 C ATOM 293 CD2 LEU A 20 -0.653 8.620 -6.706 1.00 10.21 C ATOM 0 H LEU A 20 -2.371 13.007 -8.043 1.00 61.02 H new ATOM 0 HA LEU A 20 -0.916 12.805 -5.604 1.00 62.53 H new ATOM 0 HB2 LEU A 20 -2.363 11.025 -6.633 1.00 11.30 H new ATOM 0 HB3 LEU A 20 -1.205 10.856 -7.937 1.00 11.30 H new ATOM 0 HG LEU A 20 0.520 10.282 -6.060 1.00 35.13 H new ATOM 0 HD11 LEU A 20 -0.442 9.209 -4.055 1.00 24.34 H new ATOM 0 HD12 LEU A 20 -0.814 10.948 -4.137 1.00 24.34 H new ATOM 0 HD13 LEU A 20 -2.062 9.750 -4.556 1.00 24.34 H new ATOM 0 HD21 LEU A 20 -0.108 7.890 -6.108 1.00 10.21 H new ATOM 0 HD22 LEU A 20 -1.703 8.332 -6.762 1.00 10.21 H new ATOM 0 HD23 LEU A 20 -0.232 8.653 -7.711 1.00 10.21 H new ATOM 305 N MET A 21 1.386 13.487 -6.350 1.00 52.12 N ATOM 306 CA MET A 21 2.838 13.630 -6.532 1.00 53.10 C ATOM 307 C MET A 21 3.511 12.889 -5.390 1.00 63.13 C ATOM 308 O MET A 21 3.587 13.430 -4.277 1.00 2.31 O ATOM 309 CB MET A 21 3.241 15.130 -6.519 1.00 4.30 C ATOM 310 CG MET A 21 2.763 15.930 -7.734 1.00 0.05 C ATOM 311 SD MET A 21 3.525 15.374 -9.273 1.00 34.52 S ATOM 312 CE MET A 21 5.269 15.638 -8.931 1.00 0.20 C ATOM 0 H MET A 21 1.019 14.030 -5.568 1.00 52.12 H new ATOM 0 HA MET A 21 3.147 13.217 -7.492 1.00 53.10 H new ATOM 0 HB2 MET A 21 2.841 15.592 -5.616 1.00 4.30 H new ATOM 0 HB3 MET A 21 4.327 15.200 -6.459 1.00 4.30 H new ATOM 0 HG2 MET A 21 1.680 15.845 -7.818 1.00 0.05 H new ATOM 0 HG3 MET A 21 2.989 16.985 -7.581 1.00 0.05 H new ATOM 0 HE1 MET A 21 5.823 15.667 -9.869 1.00 0.20 H new ATOM 0 HE2 MET A 21 5.397 16.584 -8.405 1.00 0.20 H new ATOM 0 HE3 MET A 21 5.646 14.824 -8.312 1.00 0.20 H new ATOM 322 N LEU A 22 3.996 11.661 -5.672 1.00 42.22 N ATOM 323 CA LEU A 22 4.462 10.732 -4.636 1.00 54.42 C ATOM 324 C LEU A 22 5.835 11.170 -4.124 1.00 31.21 C ATOM 325 O LEU A 22 6.867 11.004 -4.787 1.00 32.53 O ATOM 326 CB LEU A 22 4.487 9.272 -5.197 1.00 54.05 C ATOM 327 CG LEU A 22 3.080 8.628 -5.403 1.00 51.41 C ATOM 328 CD1 LEU A 22 3.155 7.317 -6.209 1.00 2.43 C ATOM 329 CD2 LEU A 22 2.371 8.414 -4.045 1.00 12.21 C ATOM 0 H LEU A 22 4.073 11.293 -6.620 1.00 42.22 H new ATOM 0 HA LEU A 22 3.773 10.748 -3.792 1.00 54.42 H new ATOM 0 HB2 LEU A 22 5.014 9.273 -6.151 1.00 54.05 H new ATOM 0 HB3 LEU A 22 5.062 8.645 -4.515 1.00 54.05 H new ATOM 0 HG LEU A 22 2.485 9.326 -5.992 1.00 51.41 H new ATOM 0 HD11 LEU A 22 2.153 6.905 -6.327 1.00 2.43 H new ATOM 0 HD12 LEU A 22 3.583 7.518 -7.191 1.00 2.43 H new ATOM 0 HD13 LEU A 22 3.782 6.600 -5.679 1.00 2.43 H new ATOM 0 HD21 LEU A 22 1.392 7.964 -4.212 1.00 12.21 H new ATOM 0 HD22 LEU A 22 2.972 7.753 -3.421 1.00 12.21 H new ATOM 0 HD23 LEU A 22 2.248 9.374 -3.543 1.00 12.21 H new ATOM 341 N VAL A 23 5.796 11.756 -2.930 1.00 14.05 N ATOM 342 CA VAL A 23 6.952 12.238 -2.195 1.00 63.53 C ATOM 343 C VAL A 23 7.007 11.442 -0.863 1.00 20.22 C ATOM 344 O VAL A 23 6.164 11.642 0.015 1.00 62.14 O ATOM 345 CB VAL A 23 6.849 13.812 -1.979 1.00 62.21 C ATOM 346 CG1 VAL A 23 6.946 14.553 -3.336 1.00 4.33 C ATOM 347 CG2 VAL A 23 5.543 14.234 -1.264 1.00 34.13 C ATOM 0 H VAL A 23 4.920 11.912 -2.432 1.00 14.05 H new ATOM 0 HA VAL A 23 7.880 12.076 -2.743 1.00 63.53 H new ATOM 0 HB VAL A 23 7.685 14.089 -1.337 1.00 62.21 H new ATOM 0 HG11 VAL A 23 6.874 15.628 -3.170 1.00 4.33 H new ATOM 0 HG12 VAL A 23 7.901 14.322 -3.809 1.00 4.33 H new ATOM 0 HG13 VAL A 23 6.132 14.231 -3.985 1.00 4.33 H new ATOM 0 HG21 VAL A 23 5.528 15.317 -1.144 1.00 34.13 H new ATOM 0 HG22 VAL A 23 4.685 13.923 -1.860 1.00 34.13 H new ATOM 0 HG23 VAL A 23 5.495 13.760 -0.284 1.00 34.13 H new ATOM 357 N PRO A 24 7.951 10.448 -0.722 1.00 74.23 N ATOM 358 CA PRO A 24 8.041 9.588 0.487 1.00 10.24 C ATOM 359 C PRO A 24 8.222 10.438 1.761 1.00 0.21 C ATOM 360 O PRO A 24 7.548 10.191 2.764 1.00 5.11 O ATOM 361 CB PRO A 24 9.257 8.658 0.194 1.00 2.43 C ATOM 362 CG PRO A 24 10.017 9.345 -0.899 1.00 1.40 C ATOM 363 CD PRO A 24 8.982 10.083 -1.722 1.00 74.22 C ATOM 0 HA PRO A 24 7.136 9.011 0.677 1.00 10.24 H new ATOM 0 HB2 PRO A 24 9.876 8.526 1.082 1.00 2.43 H new ATOM 0 HB3 PRO A 24 8.929 7.666 -0.117 1.00 2.43 H new ATOM 0 HG2 PRO A 24 10.754 10.035 -0.488 1.00 1.40 H new ATOM 0 HG3 PRO A 24 10.561 8.624 -1.510 1.00 1.40 H new ATOM 0 HD2 PRO A 24 9.405 10.964 -2.204 1.00 74.22 H new ATOM 0 HD3 PRO A 24 8.572 9.453 -2.512 1.00 74.22 H new ATOM 371 N ASN A 25 9.147 11.432 1.679 1.00 21.22 N ATOM 372 CA ASN A 25 9.235 12.586 2.609 1.00 11.15 C ATOM 373 C ASN A 25 9.573 12.176 4.068 1.00 70.10 C ATOM 374 O ASN A 25 10.707 12.355 4.526 1.00 21.33 O ATOM 375 CB ASN A 25 7.920 13.420 2.525 1.00 3.33 C ATOM 376 CG ASN A 25 7.914 14.679 3.392 1.00 50.53 C ATOM 377 OD1 ASN A 25 8.934 15.351 3.557 1.00 3.33 O ATOM 378 ND2 ASN A 25 6.765 15.003 3.958 1.00 42.41 N ATOM 0 H ASN A 25 9.863 11.452 0.953 1.00 21.22 H new ATOM 0 HA ASN A 25 10.073 13.206 2.291 1.00 11.15 H new ATOM 0 HB2 ASN A 25 7.752 13.708 1.487 1.00 3.33 H new ATOM 0 HB3 ASN A 25 7.083 12.787 2.820 1.00 3.33 H new ATOM 0 HD21 ASN A 25 6.704 15.830 4.551 1.00 42.41 H new ATOM 0 HD22 ASN A 25 5.939 14.426 3.801 1.00 42.41 H new ATOM 385 N ARG A 26 8.580 11.638 4.785 1.00 3.20 N ATOM 386 CA ARG A 26 8.706 11.195 6.187 1.00 63.31 C ATOM 387 C ARG A 26 8.819 9.664 6.252 1.00 23.41 C ATOM 388 O ARG A 26 7.862 8.961 5.880 1.00 1.00 O ATOM 389 CB ARG A 26 7.472 11.681 7.003 1.00 31.10 C ATOM 390 CG ARG A 26 7.336 13.215 7.110 1.00 50.01 C ATOM 391 CD ARG A 26 8.540 13.849 7.833 1.00 61.20 C ATOM 392 NE ARG A 26 8.416 15.307 7.992 1.00 73.24 N ATOM 393 CZ ARG A 26 7.757 15.930 8.984 1.00 50.30 C ATOM 394 NH1 ARG A 26 7.117 15.237 9.930 1.00 14.13 N ATOM 395 NH2 ARG A 26 7.771 17.251 9.041 1.00 4.11 N ATOM 0 H ARG A 26 7.645 11.493 4.403 1.00 3.20 H new ATOM 0 HA ARG A 26 9.609 11.626 6.618 1.00 63.31 H new ATOM 0 HB2 ARG A 26 6.568 11.280 6.543 1.00 31.10 H new ATOM 0 HB3 ARG A 26 7.530 11.264 8.008 1.00 31.10 H new ATOM 0 HG2 ARG A 26 7.246 13.642 6.111 1.00 50.01 H new ATOM 0 HG3 ARG A 26 6.419 13.462 7.646 1.00 50.01 H new ATOM 0 HD2 ARG A 26 8.649 13.390 8.816 1.00 61.20 H new ATOM 0 HD3 ARG A 26 9.450 13.626 7.275 1.00 61.20 H new ATOM 0 HE ARG A 26 8.868 15.894 7.291 1.00 73.24 H new ATOM 0 HH11 ARG A 26 7.123 14.217 9.907 1.00 14.13 H new ATOM 0 HH12 ARG A 26 6.622 15.728 10.675 1.00 14.13 H new ATOM 0 HH21 ARG A 26 8.278 17.787 8.337 1.00 4.11 H new ATOM 0 HH22 ARG A 26 7.274 17.734 9.789 1.00 4.11 H new ATOM 409 N GLN A 27 9.989 9.150 6.696 1.00 72.14 N ATOM 410 CA GLN A 27 10.192 7.704 6.906 1.00 4.01 C ATOM 411 C GLN A 27 9.389 7.255 8.151 1.00 72.32 C ATOM 412 O GLN A 27 9.802 7.466 9.298 1.00 2.12 O ATOM 413 CB GLN A 27 11.715 7.346 7.024 1.00 64.32 C ATOM 414 CG GLN A 27 12.506 8.146 8.084 1.00 12.42 C ATOM 415 CD GLN A 27 13.927 7.623 8.314 1.00 1.14 C ATOM 416 OE1 GLN A 27 14.156 6.765 9.167 1.00 20.11 O ATOM 417 NE2 GLN A 27 14.893 8.122 7.561 1.00 52.12 N ATOM 0 H GLN A 27 10.806 9.719 6.915 1.00 72.14 H new ATOM 0 HA GLN A 27 9.822 7.160 6.037 1.00 4.01 H new ATOM 0 HB2 GLN A 27 11.804 6.284 7.254 1.00 64.32 H new ATOM 0 HB3 GLN A 27 12.183 7.502 6.052 1.00 64.32 H new ATOM 0 HG2 GLN A 27 12.558 9.190 7.775 1.00 12.42 H new ATOM 0 HG3 GLN A 27 11.961 8.120 9.028 1.00 12.42 H new ATOM 0 HE21 GLN A 27 14.679 8.832 6.861 1.00 52.12 H new ATOM 0 HE22 GLN A 27 15.852 7.797 7.680 1.00 52.12 H new ATOM 426 N LEU A 28 8.201 6.679 7.910 1.00 23.43 N ATOM 427 CA LEU A 28 7.294 6.250 8.983 1.00 33.41 C ATOM 428 C LEU A 28 7.712 4.868 9.489 1.00 45.03 C ATOM 429 O LEU A 28 7.902 3.941 8.696 1.00 33.24 O ATOM 430 CB LEU A 28 5.828 6.224 8.480 1.00 43.00 C ATOM 431 CG LEU A 28 5.309 7.540 7.831 1.00 73.55 C ATOM 432 CD1 LEU A 28 3.816 7.426 7.504 1.00 62.14 C ATOM 433 CD2 LEU A 28 5.603 8.775 8.709 1.00 30.23 C ATOM 0 H LEU A 28 7.845 6.499 6.971 1.00 23.43 H new ATOM 0 HA LEU A 28 7.357 6.963 9.805 1.00 33.41 H new ATOM 0 HB2 LEU A 28 5.728 5.419 7.752 1.00 43.00 H new ATOM 0 HB3 LEU A 28 5.180 5.976 9.321 1.00 43.00 H new ATOM 0 HG LEU A 28 5.853 7.685 6.898 1.00 73.55 H new ATOM 0 HD11 LEU A 28 3.471 8.355 7.051 1.00 62.14 H new ATOM 0 HD12 LEU A 28 3.658 6.602 6.808 1.00 62.14 H new ATOM 0 HD13 LEU A 28 3.256 7.239 8.420 1.00 62.14 H new ATOM 0 HD21 LEU A 28 5.223 9.670 8.217 1.00 30.23 H new ATOM 0 HD22 LEU A 28 5.115 8.658 9.676 1.00 30.23 H new ATOM 0 HD23 LEU A 28 6.679 8.870 8.855 1.00 30.23 H new ATOM 445 N THR A 29 7.874 4.747 10.808 1.00 74.33 N ATOM 446 CA THR A 29 8.203 3.470 11.448 1.00 0.14 C ATOM 447 C THR A 29 6.961 2.565 11.451 1.00 41.15 C ATOM 448 O THR A 29 5.837 3.061 11.320 1.00 11.33 O ATOM 449 CB THR A 29 8.738 3.686 12.900 1.00 1.43 C ATOM 450 OG1 THR A 29 7.732 4.332 13.707 1.00 52.25 O ATOM 451 CG2 THR A 29 10.028 4.534 12.900 1.00 1.21 C ATOM 0 H THR A 29 7.782 5.526 11.460 1.00 74.33 H new ATOM 0 HA THR A 29 8.997 2.986 10.879 1.00 0.14 H new ATOM 0 HB THR A 29 8.971 2.708 13.321 1.00 1.43 H new ATOM 0 HG1 THR A 29 8.075 4.462 14.616 1.00 52.25 H new ATOM 0 HG21 THR A 29 10.376 4.667 13.924 1.00 1.21 H new ATOM 0 HG22 THR A 29 10.797 4.026 12.319 1.00 1.21 H new ATOM 0 HG23 THR A 29 9.823 5.509 12.457 1.00 1.21 H new ATOM 459 N ALA A 30 7.174 1.246 11.586 1.00 4.23 N ATOM 460 CA ALA A 30 6.089 0.249 11.606 1.00 72.15 C ATOM 461 C ALA A 30 5.110 0.510 12.765 1.00 31.30 C ATOM 462 O ALA A 30 3.901 0.306 12.618 1.00 2.24 O ATOM 463 CB ALA A 30 6.675 -1.173 11.667 1.00 30.02 C ATOM 0 H ALA A 30 8.104 0.839 11.685 1.00 4.23 H new ATOM 0 HA ALA A 30 5.518 0.341 10.682 1.00 72.15 H new ATOM 0 HB1 ALA A 30 5.864 -1.901 11.681 1.00 30.02 H new ATOM 0 HB2 ALA A 30 7.302 -1.346 10.792 1.00 30.02 H new ATOM 0 HB3 ALA A 30 7.275 -1.281 12.571 1.00 30.02 H new ATOM 469 N ASP A 31 5.652 0.983 13.904 1.00 31.00 N ATOM 470 CA ASP A 31 4.853 1.364 15.083 1.00 24.42 C ATOM 471 C ASP A 31 3.957 2.580 14.793 1.00 52.32 C ATOM 472 O ASP A 31 2.787 2.596 15.196 1.00 42.24 O ATOM 473 CB ASP A 31 5.765 1.659 16.302 1.00 55.34 C ATOM 474 CG ASP A 31 6.452 0.402 16.855 1.00 72.44 C ATOM 475 OD1 ASP A 31 5.762 -0.422 17.485 1.00 21.15 O ATOM 476 OD2 ASP A 31 7.672 0.224 16.657 1.00 12.53 O ATOM 0 H ASP A 31 6.656 1.111 14.032 1.00 31.00 H new ATOM 0 HA ASP A 31 4.210 0.516 15.320 1.00 24.42 H new ATOM 0 HB2 ASP A 31 6.525 2.385 16.013 1.00 55.34 H new ATOM 0 HB3 ASP A 31 5.170 2.118 17.091 1.00 55.34 H new ATOM 481 N TYR A 32 4.518 3.596 14.096 1.00 11.24 N ATOM 482 CA TYR A 32 3.767 4.812 13.726 1.00 63.43 C ATOM 483 C TYR A 32 2.663 4.457 12.729 1.00 4.25 C ATOM 484 O TYR A 32 1.530 4.914 12.871 1.00 44.12 O ATOM 485 CB TYR A 32 4.686 5.896 13.102 1.00 43.43 C ATOM 486 CG TYR A 32 3.947 7.197 12.709 1.00 33.20 C ATOM 487 CD1 TYR A 32 3.720 8.207 13.646 1.00 52.33 C ATOM 488 CD2 TYR A 32 3.453 7.402 11.408 1.00 21.43 C ATOM 489 CE1 TYR A 32 3.037 9.359 13.305 1.00 15.12 C ATOM 490 CE2 TYR A 32 2.768 8.553 11.072 1.00 3.42 C ATOM 491 CZ TYR A 32 2.566 9.525 12.023 1.00 70.11 C ATOM 492 OH TYR A 32 1.882 10.670 11.697 1.00 64.12 O ATOM 0 H TYR A 32 5.488 3.595 13.780 1.00 11.24 H new ATOM 0 HA TYR A 32 3.336 5.219 14.641 1.00 63.43 H new ATOM 0 HB2 TYR A 32 5.477 6.140 13.812 1.00 43.43 H new ATOM 0 HB3 TYR A 32 5.169 5.483 12.216 1.00 43.43 H new ATOM 0 HD1 TYR A 32 4.085 8.086 14.655 1.00 52.33 H new ATOM 0 HD2 TYR A 32 3.613 6.643 10.656 1.00 21.43 H new ATOM 0 HE1 TYR A 32 2.873 10.129 14.045 1.00 15.12 H new ATOM 0 HE2 TYR A 32 2.393 8.689 10.068 1.00 3.42 H new ATOM 0 HH TYR A 32 1.617 10.636 10.754 1.00 64.12 H new ATOM 502 N PHE A 33 3.035 3.649 11.714 1.00 60.44 N ATOM 503 CA PHE A 33 2.125 3.212 10.644 1.00 63.23 C ATOM 504 C PHE A 33 0.892 2.529 11.250 1.00 63.31 C ATOM 505 O PHE A 33 -0.228 2.903 10.940 1.00 62.42 O ATOM 506 CB PHE A 33 2.850 2.237 9.665 1.00 24.02 C ATOM 507 CG PHE A 33 2.016 1.820 8.439 1.00 72.54 C ATOM 508 CD1 PHE A 33 1.027 0.834 8.527 1.00 72.40 C ATOM 509 CD2 PHE A 33 2.210 2.427 7.204 1.00 24.15 C ATOM 510 CE1 PHE A 33 0.266 0.488 7.428 1.00 40.50 C ATOM 511 CE2 PHE A 33 1.453 2.065 6.108 1.00 3.02 C ATOM 512 CZ PHE A 33 0.481 1.098 6.222 1.00 12.11 C ATOM 0 H PHE A 33 3.982 3.282 11.617 1.00 60.44 H new ATOM 0 HA PHE A 33 1.807 4.090 10.082 1.00 63.23 H new ATOM 0 HB2 PHE A 33 3.770 2.708 9.319 1.00 24.02 H new ATOM 0 HB3 PHE A 33 3.138 1.340 10.214 1.00 24.02 H new ATOM 0 HD1 PHE A 33 0.856 0.336 9.470 1.00 72.40 H new ATOM 0 HD2 PHE A 33 2.964 3.193 7.100 1.00 24.15 H new ATOM 0 HE1 PHE A 33 -0.501 -0.266 7.520 1.00 40.50 H new ATOM 0 HE2 PHE A 33 1.625 2.544 5.155 1.00 3.02 H new ATOM 0 HZ PHE A 33 -0.111 0.821 5.362 1.00 12.11 H new ATOM 522 N GLU A 34 1.155 1.532 12.124 1.00 72.24 N ATOM 523 CA GLU A 34 0.121 0.715 12.790 1.00 25.02 C ATOM 524 C GLU A 34 -0.795 1.588 13.669 1.00 5.13 C ATOM 525 O GLU A 34 -2.014 1.405 13.676 1.00 1.12 O ATOM 526 CB GLU A 34 0.804 -0.390 13.644 1.00 55.11 C ATOM 527 CG GLU A 34 -0.167 -1.340 14.380 1.00 41.33 C ATOM 528 CD GLU A 34 0.552 -2.312 15.332 1.00 1.24 C ATOM 529 OE1 GLU A 34 0.998 -1.871 16.412 1.00 61.40 O ATOM 530 OE2 GLU A 34 0.694 -3.510 15.010 1.00 54.11 O ATOM 0 H GLU A 34 2.105 1.270 12.389 1.00 72.24 H new ATOM 0 HA GLU A 34 -0.501 0.248 12.027 1.00 25.02 H new ATOM 0 HB2 GLU A 34 1.447 -0.984 12.995 1.00 55.11 H new ATOM 0 HB3 GLU A 34 1.449 0.088 14.381 1.00 55.11 H new ATOM 0 HG2 GLU A 34 -0.885 -0.749 14.948 1.00 41.33 H new ATOM 0 HG3 GLU A 34 -0.734 -1.912 13.646 1.00 41.33 H new ATOM 537 N LYS A 35 -0.181 2.553 14.382 1.00 64.22 N ATOM 538 CA LYS A 35 -0.896 3.496 15.266 1.00 73.45 C ATOM 539 C LYS A 35 -1.882 4.365 14.462 1.00 62.24 C ATOM 540 O LYS A 35 -3.067 4.448 14.794 1.00 23.00 O ATOM 541 CB LYS A 35 0.124 4.397 16.010 1.00 61.24 C ATOM 542 CG LYS A 35 -0.511 5.453 16.943 1.00 63.52 C ATOM 543 CD LYS A 35 0.536 6.319 17.680 1.00 20.30 C ATOM 544 CE LYS A 35 1.417 5.519 18.649 1.00 4.24 C ATOM 545 NZ LYS A 35 2.401 6.387 19.353 1.00 71.42 N ATOM 0 H LYS A 35 0.828 2.701 14.361 1.00 64.22 H new ATOM 0 HA LYS A 35 -1.467 2.920 15.995 1.00 73.45 H new ATOM 0 HB2 LYS A 35 0.787 3.763 16.599 1.00 61.24 H new ATOM 0 HB3 LYS A 35 0.743 4.908 15.273 1.00 61.24 H new ATOM 0 HG2 LYS A 35 -1.163 6.101 16.357 1.00 63.52 H new ATOM 0 HG3 LYS A 35 -1.139 4.949 17.678 1.00 63.52 H new ATOM 0 HD2 LYS A 35 1.172 6.811 16.944 1.00 20.30 H new ATOM 0 HD3 LYS A 35 0.022 7.105 18.233 1.00 20.30 H new ATOM 0 HE2 LYS A 35 0.786 5.017 19.383 1.00 4.24 H new ATOM 0 HE3 LYS A 35 1.947 4.741 18.099 1.00 4.24 H new ATOM 0 HZ1 LYS A 35 2.976 5.808 19.998 1.00 71.42 H new ATOM 0 HZ2 LYS A 35 3.020 6.847 18.655 1.00 71.42 H new ATOM 0 HZ3 LYS A 35 1.895 7.114 19.899 1.00 71.42 H new ATOM 559 N THR A 36 -1.363 4.983 13.385 1.00 25.24 N ATOM 560 CA THR A 36 -2.128 5.887 12.510 1.00 21.14 C ATOM 561 C THR A 36 -3.163 5.084 11.681 1.00 3.42 C ATOM 562 O THR A 36 -4.237 5.592 11.353 1.00 1.34 O ATOM 563 CB THR A 36 -1.155 6.706 11.586 1.00 5.31 C ATOM 564 OG1 THR A 36 -0.135 7.321 12.398 1.00 41.14 O ATOM 565 CG2 THR A 36 -1.868 7.814 10.779 1.00 31.22 C ATOM 0 H THR A 36 -0.392 4.867 13.096 1.00 25.24 H new ATOM 0 HA THR A 36 -2.677 6.599 13.126 1.00 21.14 H new ATOM 0 HB THR A 36 -0.732 5.999 10.872 1.00 5.31 H new ATOM 0 HG1 THR A 36 0.518 6.643 12.672 1.00 41.14 H new ATOM 0 HG21 THR A 36 -1.140 8.341 10.162 1.00 31.22 H new ATOM 0 HG22 THR A 36 -2.629 7.366 10.140 1.00 31.22 H new ATOM 0 HG23 THR A 36 -2.339 8.518 11.465 1.00 31.22 H new ATOM 573 N TRP A 37 -2.824 3.810 11.384 1.00 55.44 N ATOM 574 CA TRP A 37 -3.707 2.855 10.680 1.00 42.05 C ATOM 575 C TRP A 37 -4.979 2.610 11.505 1.00 50.11 C ATOM 576 O TRP A 37 -6.088 2.720 10.988 1.00 14.10 O ATOM 577 CB TRP A 37 -2.942 1.519 10.405 1.00 45.13 C ATOM 578 CG TRP A 37 -3.766 0.432 9.738 1.00 31.42 C ATOM 579 CD1 TRP A 37 -4.492 -0.541 10.359 1.00 74.33 C ATOM 580 CD2 TRP A 37 -3.945 0.208 8.329 1.00 51.54 C ATOM 581 NE1 TRP A 37 -5.138 -1.318 9.435 1.00 23.11 N ATOM 582 CE2 TRP A 37 -4.813 -0.889 8.185 1.00 31.34 C ATOM 583 CE3 TRP A 37 -3.463 0.829 7.181 1.00 31.25 C ATOM 584 CZ2 TRP A 37 -5.211 -1.370 6.944 1.00 71.34 C ATOM 585 CZ3 TRP A 37 -3.859 0.354 5.947 1.00 60.24 C ATOM 586 CH2 TRP A 37 -4.731 -0.731 5.837 1.00 75.55 C ATOM 0 H TRP A 37 -1.918 3.411 11.630 1.00 55.44 H new ATOM 0 HA TRP A 37 -4.003 3.277 9.720 1.00 42.05 H new ATOM 0 HB2 TRP A 37 -2.078 1.736 9.777 1.00 45.13 H new ATOM 0 HB3 TRP A 37 -2.560 1.135 11.351 1.00 45.13 H new ATOM 0 HD1 TRP A 37 -4.549 -0.679 11.429 1.00 74.33 H new ATOM 0 HE1 TRP A 37 -5.763 -2.095 9.649 1.00 23.11 H new ATOM 0 HE3 TRP A 37 -2.789 1.670 7.254 1.00 31.25 H new ATOM 0 HZ2 TRP A 37 -5.875 -2.217 6.858 1.00 71.34 H new ATOM 0 HZ3 TRP A 37 -3.488 0.830 5.051 1.00 60.24 H new ATOM 0 HH2 TRP A 37 -5.032 -1.071 4.857 1.00 75.55 H new ATOM 597 N LEU A 38 -4.792 2.304 12.801 1.00 11.45 N ATOM 598 CA LEU A 38 -5.906 2.040 13.729 1.00 33.15 C ATOM 599 C LEU A 38 -6.622 3.355 14.112 1.00 0.25 C ATOM 600 O LEU A 38 -7.797 3.337 14.497 1.00 52.34 O ATOM 601 CB LEU A 38 -5.389 1.287 14.988 1.00 23.44 C ATOM 602 CG LEU A 38 -4.704 -0.097 14.721 1.00 73.13 C ATOM 603 CD1 LEU A 38 -4.239 -0.764 16.030 1.00 44.25 C ATOM 604 CD2 LEU A 38 -5.614 -1.041 13.906 1.00 61.21 C ATOM 0 H LEU A 38 -3.871 2.233 13.233 1.00 11.45 H new ATOM 0 HA LEU A 38 -6.636 1.403 13.230 1.00 33.15 H new ATOM 0 HB2 LEU A 38 -4.677 1.930 15.506 1.00 23.44 H new ATOM 0 HB3 LEU A 38 -6.229 1.131 15.665 1.00 23.44 H new ATOM 0 HG LEU A 38 -3.817 0.100 14.119 1.00 73.13 H new ATOM 0 HD11 LEU A 38 -3.769 -1.721 15.804 1.00 44.25 H new ATOM 0 HD12 LEU A 38 -3.520 -0.117 16.533 1.00 44.25 H new ATOM 0 HD13 LEU A 38 -5.098 -0.926 16.681 1.00 44.25 H new ATOM 0 HD21 LEU A 38 -5.102 -1.989 13.743 1.00 61.21 H new ATOM 0 HD22 LEU A 38 -6.539 -1.218 14.455 1.00 61.21 H new ATOM 0 HD23 LEU A 38 -5.845 -0.583 12.944 1.00 61.21 H new ATOM 616 N SER A 39 -5.902 4.490 13.983 1.00 42.05 N ATOM 617 CA SER A 39 -6.457 5.840 14.212 1.00 53.33 C ATOM 618 C SER A 39 -7.361 6.282 13.041 1.00 64.15 C ATOM 619 O SER A 39 -8.263 7.109 13.230 1.00 21.55 O ATOM 620 CB SER A 39 -5.310 6.868 14.410 1.00 2.34 C ATOM 621 OG SER A 39 -5.804 8.173 14.696 1.00 74.44 O ATOM 0 H SER A 39 -4.917 4.495 13.717 1.00 42.05 H new ATOM 0 HA SER A 39 -7.065 5.800 15.116 1.00 53.33 H new ATOM 0 HB2 SER A 39 -4.665 6.538 15.224 1.00 2.34 H new ATOM 0 HB3 SER A 39 -4.695 6.903 13.511 1.00 2.34 H new ATOM 0 HG SER A 39 -5.051 8.789 14.815 1.00 74.44 H new ATOM 627 N LEU A 40 -7.124 5.724 11.835 1.00 65.14 N ATOM 628 CA LEU A 40 -7.878 6.081 10.616 1.00 63.32 C ATOM 629 C LEU A 40 -8.779 4.911 10.205 1.00 20.21 C ATOM 630 O LEU A 40 -8.516 3.756 10.550 1.00 52.55 O ATOM 631 CB LEU A 40 -6.898 6.441 9.461 1.00 53.43 C ATOM 632 CG LEU A 40 -6.015 7.706 9.686 1.00 13.54 C ATOM 633 CD1 LEU A 40 -4.996 7.877 8.552 1.00 25.43 C ATOM 634 CD2 LEU A 40 -6.879 8.970 9.855 1.00 53.31 C ATOM 0 H LEU A 40 -6.407 5.016 11.680 1.00 65.14 H new ATOM 0 HA LEU A 40 -8.499 6.952 10.824 1.00 63.32 H new ATOM 0 HB2 LEU A 40 -6.241 5.589 9.290 1.00 53.43 H new ATOM 0 HB3 LEU A 40 -7.478 6.584 8.550 1.00 53.43 H new ATOM 0 HG LEU A 40 -5.460 7.561 10.613 1.00 13.54 H new ATOM 0 HD11 LEU A 40 -4.394 8.767 8.735 1.00 25.43 H new ATOM 0 HD12 LEU A 40 -4.347 7.002 8.511 1.00 25.43 H new ATOM 0 HD13 LEU A 40 -5.522 7.984 7.603 1.00 25.43 H new ATOM 0 HD21 LEU A 40 -6.233 9.834 10.010 1.00 53.31 H new ATOM 0 HD22 LEU A 40 -7.480 9.122 8.959 1.00 53.31 H new ATOM 0 HD23 LEU A 40 -7.536 8.849 10.716 1.00 53.31 H new ATOM 646 N LYS A 41 -9.828 5.217 9.446 1.00 15.22 N ATOM 647 CA LYS A 41 -10.772 4.213 8.936 1.00 73.32 C ATOM 648 C LYS A 41 -10.427 3.902 7.480 1.00 63.00 C ATOM 649 O LYS A 41 -9.855 4.753 6.792 1.00 50.35 O ATOM 650 CB LYS A 41 -12.213 4.749 9.058 1.00 72.53 C ATOM 651 CG LYS A 41 -12.640 5.063 10.507 1.00 51.22 C ATOM 652 CD LYS A 41 -14.049 5.688 10.583 1.00 63.22 C ATOM 653 CE LYS A 41 -15.163 4.741 10.110 1.00 31.22 C ATOM 654 NZ LYS A 41 -16.502 5.397 10.161 1.00 54.10 N ATOM 0 H LYS A 41 -10.053 6.171 9.163 1.00 15.22 H new ATOM 0 HA LYS A 41 -10.699 3.296 9.520 1.00 73.32 H new ATOM 0 HB2 LYS A 41 -12.306 5.654 8.457 1.00 72.53 H new ATOM 0 HB3 LYS A 41 -12.901 4.015 8.637 1.00 72.53 H new ATOM 0 HG2 LYS A 41 -12.620 4.146 11.096 1.00 51.22 H new ATOM 0 HG3 LYS A 41 -11.918 5.745 10.956 1.00 51.22 H new ATOM 0 HD2 LYS A 41 -14.250 5.989 11.611 1.00 63.22 H new ATOM 0 HD3 LYS A 41 -14.070 6.593 9.976 1.00 63.22 H new ATOM 0 HE2 LYS A 41 -14.956 4.415 9.091 1.00 31.22 H new ATOM 0 HE3 LYS A 41 -15.171 3.848 10.735 1.00 31.22 H new ATOM 0 HZ1 LYS A 41 -17.229 4.728 9.835 1.00 54.10 H new ATOM 0 HZ2 LYS A 41 -16.710 5.685 11.138 1.00 54.10 H new ATOM 0 HZ3 LYS A 41 -16.502 6.235 9.545 1.00 54.10 H new ATOM 668 N VAL A 42 -10.751 2.679 7.029 1.00 41.55 N ATOM 669 CA VAL A 42 -10.477 2.229 5.651 1.00 25.31 C ATOM 670 C VAL A 42 -11.229 3.127 4.647 1.00 65.34 C ATOM 671 O VAL A 42 -12.462 3.199 4.677 1.00 4.30 O ATOM 672 CB VAL A 42 -10.874 0.712 5.454 1.00 52.22 C ATOM 673 CG1 VAL A 42 -10.650 0.239 3.999 1.00 64.23 C ATOM 674 CG2 VAL A 42 -10.110 -0.195 6.448 1.00 2.03 C ATOM 0 H VAL A 42 -11.209 1.974 7.607 1.00 41.55 H new ATOM 0 HA VAL A 42 -9.406 2.313 5.467 1.00 25.31 H new ATOM 0 HB VAL A 42 -11.941 0.631 5.663 1.00 52.22 H new ATOM 0 HG11 VAL A 42 -10.936 -0.809 3.909 1.00 64.23 H new ATOM 0 HG12 VAL A 42 -11.258 0.840 3.323 1.00 64.23 H new ATOM 0 HG13 VAL A 42 -9.598 0.352 3.738 1.00 64.23 H new ATOM 0 HG21 VAL A 42 -10.402 -1.233 6.291 1.00 2.03 H new ATOM 0 HG22 VAL A 42 -9.037 -0.091 6.285 1.00 2.03 H new ATOM 0 HG23 VAL A 42 -10.352 0.099 7.469 1.00 2.03 H new ATOM 684 N ALA A 43 -10.468 3.813 3.774 1.00 41.22 N ATOM 685 CA ALA A 43 -11.024 4.776 2.800 1.00 33.23 C ATOM 686 C ALA A 43 -11.511 4.021 1.564 1.00 43.22 C ATOM 687 O ALA A 43 -12.573 4.322 1.007 1.00 12.44 O ATOM 688 CB ALA A 43 -9.964 5.827 2.420 1.00 52.45 C ATOM 0 H ALA A 43 -9.454 3.717 3.722 1.00 41.22 H new ATOM 0 HA ALA A 43 -11.868 5.300 3.249 1.00 33.23 H new ATOM 0 HB1 ALA A 43 -10.389 6.529 1.702 1.00 52.45 H new ATOM 0 HB2 ALA A 43 -9.650 6.367 3.313 1.00 52.45 H new ATOM 0 HB3 ALA A 43 -9.102 5.330 1.975 1.00 52.45 H new ATOM 694 N HIS A 44 -10.709 3.032 1.147 1.00 20.31 N ATOM 695 CA HIS A 44 -11.038 2.129 0.044 1.00 60.45 C ATOM 696 C HIS A 44 -10.603 0.695 0.386 1.00 2.33 C ATOM 697 O HIS A 44 -9.534 0.482 0.957 1.00 41.31 O ATOM 698 CB HIS A 44 -10.336 2.606 -1.249 1.00 41.30 C ATOM 699 CG HIS A 44 -10.634 1.752 -2.454 1.00 21.12 C ATOM 700 ND1 HIS A 44 -11.872 1.769 -3.039 1.00 63.33 N ATOM 701 CD2 HIS A 44 -9.834 0.897 -3.139 1.00 70.13 C ATOM 702 CE1 HIS A 44 -11.802 0.936 -4.057 1.00 14.52 C ATOM 703 NE2 HIS A 44 -10.586 0.387 -4.159 1.00 40.24 N ATOM 0 H HIS A 44 -9.803 2.837 1.574 1.00 20.31 H new ATOM 0 HA HIS A 44 -12.117 2.137 -0.114 1.00 60.45 H new ATOM 0 HB2 HIS A 44 -10.639 3.632 -1.459 1.00 41.30 H new ATOM 0 HB3 HIS A 44 -9.259 2.620 -1.083 1.00 41.30 H new ATOM 0 HD2 HIS A 44 -8.802 0.665 -2.920 1.00 70.13 H new ATOM 0 HE1 HIS A 44 -12.623 0.723 -4.725 1.00 14.52 H new ATOM 0 HE2 HIS A 44 -10.279 -0.284 -4.863 1.00 40.24 H new ATOM 711 N GLN A 45 -11.445 -0.275 0.015 1.00 63.40 N ATOM 712 CA GLN A 45 -11.149 -1.707 0.127 1.00 25.41 C ATOM 713 C GLN A 45 -11.534 -2.366 -1.203 1.00 51.44 C ATOM 714 O GLN A 45 -12.697 -2.303 -1.616 1.00 44.42 O ATOM 715 CB GLN A 45 -11.932 -2.352 1.305 1.00 12.33 C ATOM 716 CG GLN A 45 -11.643 -3.856 1.521 1.00 32.21 C ATOM 717 CD GLN A 45 -12.482 -4.470 2.645 1.00 32.20 C ATOM 718 OE1 GLN A 45 -13.587 -4.969 2.419 1.00 71.33 O ATOM 719 NE2 GLN A 45 -11.978 -4.421 3.868 1.00 41.45 N ATOM 0 H GLN A 45 -12.367 -0.084 -0.378 1.00 63.40 H new ATOM 0 HA GLN A 45 -10.089 -1.853 0.333 1.00 25.41 H new ATOM 0 HB2 GLN A 45 -11.692 -1.814 2.222 1.00 12.33 H new ATOM 0 HB3 GLN A 45 -13.000 -2.222 1.129 1.00 12.33 H new ATOM 0 HG2 GLN A 45 -11.838 -4.395 0.594 1.00 32.21 H new ATOM 0 HG3 GLN A 45 -10.586 -3.988 1.750 1.00 32.21 H new ATOM 0 HE21 GLN A 45 -11.061 -4.002 4.025 1.00 41.45 H new ATOM 0 HE22 GLN A 45 -12.506 -4.802 4.653 1.00 41.45 H new ATOM 728 N GLN A 46 -10.544 -2.959 -1.864 1.00 32.24 N ATOM 729 CA GLN A 46 -10.694 -3.636 -3.156 1.00 2.22 C ATOM 730 C GLN A 46 -9.988 -4.989 -3.091 1.00 12.55 C ATOM 731 O GLN A 46 -8.818 -5.050 -2.742 1.00 64.21 O ATOM 732 CB GLN A 46 -10.050 -2.744 -4.243 1.00 74.21 C ATOM 733 CG GLN A 46 -9.979 -3.344 -5.657 1.00 70.12 C ATOM 734 CD GLN A 46 -9.382 -2.372 -6.682 1.00 64.41 C ATOM 735 OE1 GLN A 46 -9.542 -1.155 -6.580 1.00 55.24 O ATOM 736 NE2 GLN A 46 -8.686 -2.894 -7.670 1.00 53.03 N ATOM 0 H GLN A 46 -9.588 -2.985 -1.509 1.00 32.24 H new ATOM 0 HA GLN A 46 -11.745 -3.800 -3.393 1.00 2.22 H new ATOM 0 HB2 GLN A 46 -10.608 -1.809 -4.295 1.00 74.21 H new ATOM 0 HB3 GLN A 46 -9.038 -2.493 -3.926 1.00 74.21 H new ATOM 0 HG2 GLN A 46 -9.379 -4.253 -5.632 1.00 70.12 H new ATOM 0 HG3 GLN A 46 -10.981 -3.632 -5.976 1.00 70.12 H new ATOM 0 HE21 GLN A 46 -8.568 -3.905 -7.732 1.00 53.03 H new ATOM 0 HE22 GLN A 46 -8.265 -2.287 -8.373 1.00 53.03 H new ATOM 745 N VAL A 47 -10.699 -6.063 -3.429 1.00 24.13 N ATOM 746 CA VAL A 47 -10.128 -7.419 -3.497 1.00 53.35 C ATOM 747 C VAL A 47 -9.908 -7.777 -4.979 1.00 64.53 C ATOM 748 O VAL A 47 -10.732 -7.415 -5.827 1.00 41.14 O ATOM 749 CB VAL A 47 -11.074 -8.472 -2.792 1.00 61.34 C ATOM 750 CG1 VAL A 47 -10.428 -9.871 -2.744 1.00 65.43 C ATOM 751 CG2 VAL A 47 -11.476 -8.004 -1.367 1.00 61.24 C ATOM 0 H VAL A 47 -11.691 -6.024 -3.665 1.00 24.13 H new ATOM 0 HA VAL A 47 -9.176 -7.444 -2.966 1.00 53.35 H new ATOM 0 HB VAL A 47 -11.980 -8.543 -3.393 1.00 61.34 H new ATOM 0 HG11 VAL A 47 -11.107 -10.568 -2.253 1.00 65.43 H new ATOM 0 HG12 VAL A 47 -10.227 -10.214 -3.759 1.00 65.43 H new ATOM 0 HG13 VAL A 47 -9.493 -9.821 -2.186 1.00 65.43 H new ATOM 0 HG21 VAL A 47 -12.126 -8.749 -0.909 1.00 61.24 H new ATOM 0 HG22 VAL A 47 -10.580 -7.881 -0.758 1.00 61.24 H new ATOM 0 HG23 VAL A 47 -12.004 -7.053 -1.432 1.00 61.24 H new ATOM 761 N LEU A 48 -8.791 -8.458 -5.292 1.00 52.51 N ATOM 762 CA LEU A 48 -8.393 -8.784 -6.675 1.00 42.45 C ATOM 763 C LEU A 48 -7.991 -10.270 -6.794 1.00 33.31 C ATOM 764 O LEU A 48 -7.233 -10.761 -5.949 1.00 43.41 O ATOM 765 CB LEU A 48 -7.211 -7.866 -7.122 1.00 54.50 C ATOM 766 CG LEU A 48 -7.578 -6.378 -7.402 1.00 11.04 C ATOM 767 CD1 LEU A 48 -6.331 -5.554 -7.778 1.00 10.41 C ATOM 768 CD2 LEU A 48 -8.673 -6.274 -8.487 1.00 23.21 C ATOM 0 H LEU A 48 -8.135 -8.800 -4.590 1.00 52.51 H new ATOM 0 HA LEU A 48 -9.246 -8.608 -7.330 1.00 42.45 H new ATOM 0 HB2 LEU A 48 -6.443 -7.892 -6.349 1.00 54.50 H new ATOM 0 HB3 LEU A 48 -6.769 -8.288 -8.025 1.00 54.50 H new ATOM 0 HG LEU A 48 -7.981 -5.954 -6.482 1.00 11.04 H new ATOM 0 HD11 LEU A 48 -6.621 -4.521 -7.967 1.00 10.41 H new ATOM 0 HD12 LEU A 48 -5.613 -5.585 -6.958 1.00 10.41 H new ATOM 0 HD13 LEU A 48 -5.875 -5.973 -8.675 1.00 10.41 H new ATOM 0 HD21 LEU A 48 -8.911 -5.225 -8.664 1.00 23.21 H new ATOM 0 HD22 LEU A 48 -8.313 -6.725 -9.412 1.00 23.21 H new ATOM 0 HD23 LEU A 48 -9.568 -6.798 -8.152 1.00 23.21 H new ATOM 780 N PRO A 49 -8.480 -11.010 -7.850 1.00 41.43 N ATOM 781 CA PRO A 49 -8.076 -12.414 -8.092 1.00 23.14 C ATOM 782 C PRO A 49 -6.611 -12.487 -8.593 1.00 1.11 C ATOM 783 O PRO A 49 -6.298 -12.064 -9.713 1.00 71.12 O ATOM 784 CB PRO A 49 -9.100 -12.904 -9.156 1.00 21.02 C ATOM 785 CG PRO A 49 -9.508 -11.666 -9.901 1.00 53.24 C ATOM 786 CD PRO A 49 -9.450 -10.531 -8.889 1.00 1.21 C ATOM 0 HA PRO A 49 -8.091 -13.036 -7.197 1.00 23.14 H new ATOM 0 HB2 PRO A 49 -8.652 -13.638 -9.826 1.00 21.02 H new ATOM 0 HB3 PRO A 49 -9.959 -13.383 -8.686 1.00 21.02 H new ATOM 0 HG2 PRO A 49 -8.838 -11.476 -10.739 1.00 53.24 H new ATOM 0 HG3 PRO A 49 -10.512 -11.771 -10.313 1.00 53.24 H new ATOM 0 HD2 PRO A 49 -9.112 -9.603 -9.351 1.00 1.21 H new ATOM 0 HD3 PRO A 49 -10.431 -10.333 -8.456 1.00 1.21 H new ATOM 794 N TRP A 50 -5.717 -12.996 -7.733 1.00 60.04 N ATOM 795 CA TRP A 50 -4.264 -12.970 -7.980 1.00 64.15 C ATOM 796 C TRP A 50 -3.797 -14.190 -8.816 1.00 21.44 C ATOM 797 O TRP A 50 -4.457 -15.237 -8.827 1.00 32.21 O ATOM 798 CB TRP A 50 -3.498 -12.886 -6.625 1.00 73.32 C ATOM 799 CG TRP A 50 -2.019 -12.671 -6.812 1.00 62.52 C ATOM 800 CD1 TRP A 50 -1.005 -13.557 -6.595 1.00 24.32 C ATOM 801 CD2 TRP A 50 -1.411 -11.482 -7.305 1.00 22.01 C ATOM 802 NE1 TRP A 50 0.187 -13.002 -6.968 1.00 71.50 N ATOM 803 CE2 TRP A 50 -0.035 -11.722 -7.394 1.00 42.34 C ATOM 804 CE3 TRP A 50 -1.907 -10.241 -7.690 1.00 23.13 C ATOM 805 CZ2 TRP A 50 0.855 -10.765 -7.856 1.00 24.22 C ATOM 806 CZ3 TRP A 50 -1.026 -9.293 -8.138 1.00 14.33 C ATOM 807 CH2 TRP A 50 0.345 -9.558 -8.214 1.00 73.11 C ATOM 0 H TRP A 50 -5.977 -13.436 -6.850 1.00 60.04 H new ATOM 0 HA TRP A 50 -4.035 -12.082 -8.569 1.00 64.15 H new ATOM 0 HB2 TRP A 50 -3.908 -12.071 -6.029 1.00 73.32 H new ATOM 0 HB3 TRP A 50 -3.660 -13.805 -6.062 1.00 73.32 H new ATOM 0 HD1 TRP A 50 -1.126 -14.550 -6.189 1.00 24.32 H new ATOM 0 HE1 TRP A 50 1.094 -13.467 -6.934 1.00 71.50 H new ATOM 0 HE3 TRP A 50 -2.965 -10.029 -7.637 1.00 23.13 H new ATOM 0 HZ2 TRP A 50 1.913 -10.971 -7.928 1.00 24.22 H new ATOM 0 HZ3 TRP A 50 -1.397 -8.324 -8.438 1.00 14.33 H new ATOM 0 HH2 TRP A 50 1.013 -8.786 -8.565 1.00 73.11 H new ATOM 818 N ARG A 51 -2.660 -14.003 -9.531 1.00 23.31 N ATOM 819 CA ARG A 51 -1.975 -15.060 -10.313 1.00 65.55 C ATOM 820 C ARG A 51 -1.527 -16.239 -9.410 1.00 23.05 C ATOM 821 O ARG A 51 -1.359 -16.074 -8.199 1.00 62.25 O ATOM 822 CB ARG A 51 -0.746 -14.422 -11.050 1.00 1.04 C ATOM 823 CG ARG A 51 0.068 -15.397 -11.936 1.00 62.12 C ATOM 824 CD ARG A 51 1.242 -14.737 -12.680 1.00 43.01 C ATOM 825 NE ARG A 51 2.097 -15.741 -13.353 1.00 53.21 N ATOM 826 CZ ARG A 51 2.252 -15.899 -14.676 1.00 13.23 C ATOM 827 NH1 ARG A 51 1.617 -15.125 -15.553 1.00 5.53 N ATOM 828 NH2 ARG A 51 3.070 -16.842 -15.118 1.00 12.53 N ATOM 0 H ARG A 51 -2.187 -13.101 -9.581 1.00 23.31 H new ATOM 0 HA ARG A 51 -2.672 -15.471 -11.044 1.00 65.55 H new ATOM 0 HB2 ARG A 51 -1.102 -13.601 -11.672 1.00 1.04 H new ATOM 0 HB3 ARG A 51 -0.079 -13.990 -10.304 1.00 1.04 H new ATOM 0 HG2 ARG A 51 0.454 -16.202 -11.311 1.00 62.12 H new ATOM 0 HG3 ARG A 51 -0.601 -15.853 -12.666 1.00 62.12 H new ATOM 0 HD2 ARG A 51 0.856 -14.034 -13.418 1.00 43.01 H new ATOM 0 HD3 ARG A 51 1.842 -14.162 -11.975 1.00 43.01 H new ATOM 0 HE ARG A 51 2.620 -16.376 -12.750 1.00 53.21 H new ATOM 0 HH11 ARG A 51 0.993 -14.388 -15.225 1.00 5.53 H new ATOM 0 HH12 ARG A 51 1.755 -15.269 -16.553 1.00 5.53 H new ATOM 0 HH21 ARG A 51 3.570 -17.435 -14.456 1.00 12.53 H new ATOM 0 HH22 ARG A 51 3.200 -16.976 -16.121 1.00 12.53 H new ATOM 842 N GLY A 52 -1.309 -17.420 -10.027 1.00 5.33 N ATOM 843 CA GLY A 52 -0.858 -18.626 -9.311 1.00 65.01 C ATOM 844 C GLY A 52 0.530 -18.502 -8.657 1.00 34.21 C ATOM 845 O GLY A 52 0.934 -19.404 -7.916 1.00 64.21 O ATOM 0 H GLY A 52 -1.440 -17.561 -11.029 1.00 5.33 H new ATOM 0 HA2 GLY A 52 -1.588 -18.869 -8.539 1.00 65.01 H new ATOM 0 HA3 GLY A 52 -0.843 -19.463 -10.009 1.00 65.01 H new ATOM 849 N GLU A 53 1.251 -17.386 -8.930 1.00 64.54 N ATOM 850 CA GLU A 53 2.556 -17.065 -8.303 1.00 21.00 C ATOM 851 C GLU A 53 2.619 -15.561 -7.927 1.00 75.42 C ATOM 852 O GLU A 53 1.981 -14.715 -8.578 1.00 1.32 O ATOM 853 CB GLU A 53 3.723 -17.442 -9.257 1.00 50.33 C ATOM 854 CG GLU A 53 3.782 -16.599 -10.548 1.00 24.24 C ATOM 855 CD GLU A 53 4.837 -17.073 -11.559 1.00 63.25 C ATOM 856 OE1 GLU A 53 6.037 -16.807 -11.341 1.00 43.45 O ATOM 857 OE2 GLU A 53 4.466 -17.703 -12.579 1.00 3.41 O ATOM 0 H GLU A 53 0.940 -16.679 -9.596 1.00 64.54 H new ATOM 0 HA GLU A 53 2.657 -17.651 -7.390 1.00 21.00 H new ATOM 0 HB2 GLU A 53 4.666 -17.332 -8.721 1.00 50.33 H new ATOM 0 HB3 GLU A 53 3.631 -18.494 -9.527 1.00 50.33 H new ATOM 0 HG2 GLU A 53 2.803 -16.617 -11.026 1.00 24.24 H new ATOM 0 HG3 GLU A 53 3.988 -15.562 -10.283 1.00 24.24 H new ATOM 864 N PHE A 54 3.364 -15.254 -6.854 1.00 42.10 N ATOM 865 CA PHE A 54 3.617 -13.872 -6.398 1.00 35.44 C ATOM 866 C PHE A 54 5.125 -13.558 -6.442 1.00 33.14 C ATOM 867 O PHE A 54 5.947 -14.445 -6.197 1.00 74.43 O ATOM 868 CB PHE A 54 3.064 -13.667 -4.962 1.00 41.12 C ATOM 869 CG PHE A 54 3.212 -12.236 -4.449 1.00 71.22 C ATOM 870 CD1 PHE A 54 2.447 -11.221 -4.994 1.00 14.32 C ATOM 871 CD2 PHE A 54 4.139 -11.899 -3.481 1.00 53.04 C ATOM 872 CE1 PHE A 54 2.590 -9.914 -4.593 1.00 65.45 C ATOM 873 CE2 PHE A 54 4.287 -10.592 -3.088 1.00 60.14 C ATOM 874 CZ PHE A 54 3.515 -9.599 -3.646 1.00 3.31 C ATOM 0 H PHE A 54 3.813 -15.961 -6.272 1.00 42.10 H new ATOM 0 HA PHE A 54 3.101 -13.186 -7.070 1.00 35.44 H new ATOM 0 HB2 PHE A 54 2.010 -13.943 -4.945 1.00 41.12 H new ATOM 0 HB3 PHE A 54 3.582 -14.343 -4.282 1.00 41.12 H new ATOM 0 HD1 PHE A 54 1.719 -11.461 -5.754 1.00 14.32 H new ATOM 0 HD2 PHE A 54 4.750 -12.668 -3.031 1.00 53.04 H new ATOM 0 HE1 PHE A 54 1.972 -9.142 -5.027 1.00 65.45 H new ATOM 0 HE2 PHE A 54 5.017 -10.341 -2.333 1.00 60.14 H new ATOM 0 HZ PHE A 54 3.643 -8.573 -3.333 1.00 3.31 H new ATOM 884 N HIS A 55 5.479 -12.286 -6.740 1.00 5.13 N ATOM 885 CA HIS A 55 6.885 -11.813 -6.786 1.00 34.55 C ATOM 886 C HIS A 55 7.106 -10.647 -5.767 1.00 4.13 C ATOM 887 O HIS A 55 6.936 -9.478 -6.130 1.00 63.24 O ATOM 888 CB HIS A 55 7.237 -11.346 -8.228 1.00 14.05 C ATOM 889 CG HIS A 55 7.031 -12.370 -9.318 1.00 2.53 C ATOM 890 ND1 HIS A 55 6.370 -12.097 -10.499 1.00 54.22 N ATOM 891 CD2 HIS A 55 7.428 -13.656 -9.415 1.00 42.15 C ATOM 892 CE1 HIS A 55 6.371 -13.169 -11.264 1.00 41.40 C ATOM 893 NE2 HIS A 55 7.006 -14.124 -10.627 1.00 52.40 N ATOM 0 H HIS A 55 4.798 -11.557 -6.956 1.00 5.13 H new ATOM 0 HA HIS A 55 7.542 -12.637 -6.509 1.00 34.55 H new ATOM 0 HB2 HIS A 55 6.636 -10.468 -8.462 1.00 14.05 H new ATOM 0 HB3 HIS A 55 8.280 -11.031 -8.243 1.00 14.05 H new ATOM 0 HD2 HIS A 55 7.978 -14.213 -8.671 1.00 42.15 H new ATOM 0 HE1 HIS A 55 5.926 -13.248 -12.245 1.00 41.40 H new ATOM 0 HE2 HIS A 55 7.160 -15.068 -10.981 1.00 52.40 H new ATOM 902 N PRO A 56 7.470 -10.940 -4.474 1.00 5.22 N ATOM 903 CA PRO A 56 7.609 -9.891 -3.413 1.00 22.51 C ATOM 904 C PRO A 56 8.787 -8.936 -3.655 1.00 3.24 C ATOM 905 O PRO A 56 8.693 -7.735 -3.373 1.00 53.03 O ATOM 906 CB PRO A 56 7.768 -10.719 -2.109 1.00 2.12 C ATOM 907 CG PRO A 56 8.306 -12.052 -2.549 1.00 30.01 C ATOM 908 CD PRO A 56 7.755 -12.304 -3.940 1.00 61.25 C ATOM 0 HA PRO A 56 6.753 -9.217 -3.384 1.00 22.51 H new ATOM 0 HB2 PRO A 56 8.450 -10.230 -1.413 1.00 2.12 H new ATOM 0 HB3 PRO A 56 6.813 -10.830 -1.595 1.00 2.12 H new ATOM 0 HG2 PRO A 56 9.396 -12.046 -2.559 1.00 30.01 H new ATOM 0 HG3 PRO A 56 7.998 -12.840 -1.862 1.00 30.01 H new ATOM 0 HD2 PRO A 56 8.475 -12.833 -4.564 1.00 61.25 H new ATOM 0 HD3 PRO A 56 6.853 -12.915 -3.906 1.00 61.25 H new ATOM 916 N ASP A 57 9.882 -9.497 -4.181 1.00 62.45 N ATOM 917 CA ASP A 57 11.094 -8.744 -4.543 1.00 34.41 C ATOM 918 C ASP A 57 10.815 -7.768 -5.692 1.00 12.45 C ATOM 919 O ASP A 57 11.262 -6.622 -5.660 1.00 3.41 O ATOM 920 CB ASP A 57 12.235 -9.721 -4.918 1.00 75.24 C ATOM 921 CG ASP A 57 12.547 -10.711 -3.786 1.00 53.22 C ATOM 922 OD1 ASP A 57 11.865 -11.763 -3.696 1.00 54.23 O ATOM 923 OD2 ASP A 57 13.448 -10.435 -2.961 1.00 75.21 O ATOM 0 H ASP A 57 9.955 -10.497 -4.370 1.00 62.45 H new ATOM 0 HA ASP A 57 11.405 -8.157 -3.679 1.00 34.41 H new ATOM 0 HB2 ASP A 57 11.957 -10.274 -5.815 1.00 75.24 H new ATOM 0 HB3 ASP A 57 13.133 -9.152 -5.159 1.00 75.24 H new ATOM 928 N THR A 58 10.046 -8.237 -6.691 1.00 63.45 N ATOM 929 CA THR A 58 9.654 -7.431 -7.856 1.00 23.35 C ATOM 930 C THR A 58 8.749 -6.264 -7.409 1.00 54.32 C ATOM 931 O THR A 58 8.914 -5.131 -7.880 1.00 14.02 O ATOM 932 CB THR A 58 8.923 -8.317 -8.915 1.00 63.54 C ATOM 933 OG1 THR A 58 9.727 -9.470 -9.210 1.00 10.42 O ATOM 934 CG2 THR A 58 8.615 -7.572 -10.224 1.00 34.13 C ATOM 0 H THR A 58 9.679 -9.189 -6.711 1.00 63.45 H new ATOM 0 HA THR A 58 10.553 -7.021 -8.317 1.00 23.35 H new ATOM 0 HB THR A 58 7.967 -8.605 -8.477 1.00 63.54 H new ATOM 0 HG1 THR A 58 9.269 -10.027 -9.873 1.00 10.42 H new ATOM 0 HG21 THR A 58 8.107 -8.245 -10.915 1.00 34.13 H new ATOM 0 HG22 THR A 58 7.973 -6.716 -10.013 1.00 34.13 H new ATOM 0 HG23 THR A 58 9.546 -7.225 -10.673 1.00 34.13 H new ATOM 942 N LEU A 59 7.817 -6.560 -6.458 1.00 63.23 N ATOM 943 CA LEU A 59 6.923 -5.546 -5.873 1.00 71.21 C ATOM 944 C LEU A 59 7.744 -4.479 -5.158 1.00 25.52 C ATOM 945 O LEU A 59 7.592 -3.299 -5.449 1.00 65.52 O ATOM 946 CB LEU A 59 5.883 -6.167 -4.896 1.00 31.11 C ATOM 947 CG LEU A 59 4.875 -5.149 -4.248 1.00 34.13 C ATOM 948 CD1 LEU A 59 4.004 -4.442 -5.307 1.00 23.11 C ATOM 949 CD2 LEU A 59 3.999 -5.822 -3.184 1.00 35.33 C ATOM 0 H LEU A 59 7.674 -7.499 -6.087 1.00 63.23 H new ATOM 0 HA LEU A 59 6.365 -5.093 -6.692 1.00 71.21 H new ATOM 0 HB2 LEU A 59 5.313 -6.925 -5.433 1.00 31.11 H new ATOM 0 HB3 LEU A 59 6.420 -6.679 -4.097 1.00 31.11 H new ATOM 0 HG LEU A 59 5.477 -4.385 -3.756 1.00 34.13 H new ATOM 0 HD11 LEU A 59 3.323 -3.748 -4.814 1.00 23.11 H new ATOM 0 HD12 LEU A 59 4.644 -3.893 -5.997 1.00 23.11 H new ATOM 0 HD13 LEU A 59 3.428 -5.185 -5.859 1.00 23.11 H new ATOM 0 HD21 LEU A 59 3.315 -5.088 -2.758 1.00 35.33 H new ATOM 0 HD22 LEU A 59 3.426 -6.629 -3.641 1.00 35.33 H new ATOM 0 HD23 LEU A 59 4.632 -6.228 -2.395 1.00 35.33 H new ATOM 961 N GLN A 60 8.670 -4.934 -4.293 1.00 23.23 N ATOM 962 CA GLN A 60 9.460 -4.052 -3.429 1.00 64.50 C ATOM 963 C GLN A 60 10.322 -3.100 -4.274 1.00 30.24 C ATOM 964 O GLN A 60 10.264 -1.885 -4.084 1.00 33.40 O ATOM 965 CB GLN A 60 10.333 -4.885 -2.460 1.00 12.52 C ATOM 966 CG GLN A 60 10.899 -4.076 -1.275 1.00 2.24 C ATOM 967 CD GLN A 60 11.760 -4.900 -0.318 1.00 3.45 C ATOM 968 OE1 GLN A 60 12.457 -5.823 -0.723 1.00 65.55 O ATOM 969 NE2 GLN A 60 11.719 -4.577 0.960 1.00 32.42 N ATOM 0 H GLN A 60 8.888 -5.924 -4.177 1.00 23.23 H new ATOM 0 HA GLN A 60 8.778 -3.446 -2.832 1.00 64.50 H new ATOM 0 HB2 GLN A 60 9.739 -5.712 -2.072 1.00 12.52 H new ATOM 0 HB3 GLN A 60 11.162 -5.322 -3.018 1.00 12.52 H new ATOM 0 HG2 GLN A 60 11.494 -3.249 -1.663 1.00 2.24 H new ATOM 0 HG3 GLN A 60 10.071 -3.638 -0.718 1.00 2.24 H new ATOM 0 HE21 GLN A 60 11.131 -3.804 1.272 1.00 32.42 H new ATOM 0 HE22 GLN A 60 12.276 -5.100 1.636 1.00 32.42 H new ATOM 978 N MET A 61 11.071 -3.665 -5.250 1.00 61.24 N ATOM 979 CA MET A 61 11.908 -2.876 -6.180 1.00 5.21 C ATOM 980 C MET A 61 11.070 -1.839 -6.956 1.00 13.43 C ATOM 981 O MET A 61 11.520 -0.707 -7.146 1.00 61.34 O ATOM 982 CB MET A 61 12.688 -3.800 -7.159 1.00 73.11 C ATOM 983 CG MET A 61 13.808 -4.619 -6.500 1.00 53.15 C ATOM 984 SD MET A 61 14.726 -5.643 -7.674 1.00 13.23 S ATOM 985 CE MET A 61 13.464 -6.792 -8.239 1.00 14.22 C ATOM 0 H MET A 61 11.111 -4.671 -5.413 1.00 61.24 H new ATOM 0 HA MET A 61 12.635 -2.332 -5.578 1.00 5.21 H new ATOM 0 HB2 MET A 61 11.984 -4.484 -7.632 1.00 73.11 H new ATOM 0 HB3 MET A 61 13.119 -3.188 -7.951 1.00 73.11 H new ATOM 0 HG2 MET A 61 14.500 -3.941 -6.001 1.00 53.15 H new ATOM 0 HG3 MET A 61 13.377 -5.258 -5.730 1.00 53.15 H new ATOM 0 HE1 MET A 61 13.919 -7.544 -8.884 1.00 14.22 H new ATOM 0 HE2 MET A 61 13.005 -7.280 -7.379 1.00 14.22 H new ATOM 0 HE3 MET A 61 12.701 -6.249 -8.797 1.00 14.22 H new ATOM 995 N ALA A 62 9.833 -2.224 -7.346 1.00 62.32 N ATOM 996 CA ALA A 62 8.898 -1.322 -8.046 1.00 34.12 C ATOM 997 C ALA A 62 8.505 -0.146 -7.134 1.00 73.54 C ATOM 998 O ALA A 62 8.476 1.003 -7.584 1.00 44.23 O ATOM 999 CB ALA A 62 7.648 -2.086 -8.512 1.00 15.42 C ATOM 0 H ALA A 62 9.460 -3.160 -7.185 1.00 62.32 H new ATOM 0 HA ALA A 62 9.400 -0.925 -8.928 1.00 34.12 H new ATOM 0 HB1 ALA A 62 6.973 -1.401 -9.025 1.00 15.42 H new ATOM 0 HB2 ALA A 62 7.942 -2.884 -9.194 1.00 15.42 H new ATOM 0 HB3 ALA A 62 7.141 -2.515 -7.648 1.00 15.42 H new ATOM 1005 N LEU A 63 8.275 -0.461 -5.830 1.00 70.33 N ATOM 1006 CA LEU A 63 7.858 0.521 -4.810 1.00 34.22 C ATOM 1007 C LEU A 63 8.885 1.649 -4.681 1.00 51.00 C ATOM 1008 O LEU A 63 8.512 2.820 -4.736 1.00 43.31 O ATOM 1009 CB LEU A 63 7.626 -0.164 -3.437 1.00 70.20 C ATOM 1010 CG LEU A 63 6.510 -1.244 -3.417 1.00 32.24 C ATOM 1011 CD1 LEU A 63 6.504 -2.015 -2.092 1.00 71.43 C ATOM 1012 CD2 LEU A 63 5.128 -0.641 -3.738 1.00 73.21 C ATOM 0 H LEU A 63 8.376 -1.407 -5.463 1.00 70.33 H new ATOM 0 HA LEU A 63 6.913 0.956 -5.137 1.00 34.22 H new ATOM 0 HB2 LEU A 63 8.561 -0.624 -3.116 1.00 70.20 H new ATOM 0 HB3 LEU A 63 7.380 0.603 -2.703 1.00 70.20 H new ATOM 0 HG LEU A 63 6.733 -1.961 -4.207 1.00 32.24 H new ATOM 0 HD11 LEU A 63 5.712 -2.763 -2.110 1.00 71.43 H new ATOM 0 HD12 LEU A 63 7.466 -2.509 -1.954 1.00 71.43 H new ATOM 0 HD13 LEU A 63 6.330 -1.322 -1.269 1.00 71.43 H new ATOM 0 HD21 LEU A 63 4.374 -1.427 -3.714 1.00 73.21 H new ATOM 0 HD22 LEU A 63 4.882 0.120 -2.997 1.00 73.21 H new ATOM 0 HD23 LEU A 63 5.150 -0.189 -4.729 1.00 73.21 H new ATOM 1024 N GLN A 64 10.182 1.279 -4.552 1.00 32.50 N ATOM 1025 CA GLN A 64 11.288 2.267 -4.522 1.00 30.54 C ATOM 1026 C GLN A 64 11.232 3.200 -5.760 1.00 53.41 C ATOM 1027 O GLN A 64 11.309 4.429 -5.613 1.00 62.13 O ATOM 1028 CB GLN A 64 12.697 1.588 -4.421 1.00 2.41 C ATOM 1029 CG GLN A 64 13.076 1.017 -3.023 1.00 24.30 C ATOM 1030 CD GLN A 64 12.434 -0.331 -2.684 1.00 75.52 C ATOM 1031 OE1 GLN A 64 12.999 -1.392 -2.957 1.00 4.22 O ATOM 1032 NE2 GLN A 64 11.250 -0.312 -2.091 1.00 33.00 N ATOM 0 H GLN A 64 10.487 0.309 -4.467 1.00 32.50 H new ATOM 0 HA GLN A 64 11.148 2.863 -3.620 1.00 30.54 H new ATOM 0 HB2 GLN A 64 12.741 0.777 -5.148 1.00 2.41 H new ATOM 0 HB3 GLN A 64 13.453 2.318 -4.711 1.00 2.41 H new ATOM 0 HG2 GLN A 64 14.160 0.911 -2.971 1.00 24.30 H new ATOM 0 HG3 GLN A 64 12.790 1.742 -2.261 1.00 24.30 H new ATOM 0 HE21 GLN A 64 10.802 0.579 -1.875 1.00 33.00 H new ATOM 0 HE22 GLN A 64 10.786 -1.188 -1.850 1.00 33.00 H new ATOM 1041 N VAL A 65 11.005 2.620 -6.966 1.00 33.24 N ATOM 1042 CA VAL A 65 10.996 3.389 -8.234 1.00 15.31 C ATOM 1043 C VAL A 65 9.770 4.339 -8.297 1.00 53.43 C ATOM 1044 O VAL A 65 9.864 5.435 -8.853 1.00 73.43 O ATOM 1045 CB VAL A 65 11.020 2.431 -9.497 1.00 2.05 C ATOM 1046 CG1 VAL A 65 11.094 3.219 -10.832 1.00 43.43 C ATOM 1047 CG2 VAL A 65 12.184 1.417 -9.410 1.00 70.12 C ATOM 0 H VAL A 65 10.826 1.623 -7.085 1.00 33.24 H new ATOM 0 HA VAL A 65 11.904 3.992 -8.255 1.00 15.31 H new ATOM 0 HB VAL A 65 10.077 1.884 -9.488 1.00 2.05 H new ATOM 0 HG11 VAL A 65 11.108 2.519 -11.667 1.00 43.43 H new ATOM 0 HG12 VAL A 65 10.224 3.870 -10.919 1.00 43.43 H new ATOM 0 HG13 VAL A 65 12.002 3.822 -10.849 1.00 43.43 H new ATOM 0 HG21 VAL A 65 12.173 0.774 -10.290 1.00 70.12 H new ATOM 0 HG22 VAL A 65 13.132 1.954 -9.364 1.00 70.12 H new ATOM 0 HG23 VAL A 65 12.069 0.807 -8.514 1.00 70.12 H new ATOM 1057 N VAL A 66 8.633 3.929 -7.683 1.00 44.21 N ATOM 1058 CA VAL A 66 7.382 4.738 -7.673 1.00 55.34 C ATOM 1059 C VAL A 66 7.242 5.534 -6.349 1.00 15.44 C ATOM 1060 O VAL A 66 6.192 6.131 -6.092 1.00 0.31 O ATOM 1061 CB VAL A 66 6.095 3.853 -7.939 1.00 35.13 C ATOM 1062 CG1 VAL A 66 6.176 3.147 -9.306 1.00 61.55 C ATOM 1063 CG2 VAL A 66 5.856 2.823 -6.820 1.00 32.42 C ATOM 0 H VAL A 66 8.553 3.042 -7.186 1.00 44.21 H new ATOM 0 HA VAL A 66 7.458 5.450 -8.495 1.00 55.34 H new ATOM 0 HB VAL A 66 5.244 4.535 -7.948 1.00 35.13 H new ATOM 0 HG11 VAL A 66 5.279 2.547 -9.460 1.00 61.55 H new ATOM 0 HG12 VAL A 66 6.254 3.893 -10.097 1.00 61.55 H new ATOM 0 HG13 VAL A 66 7.053 2.500 -9.330 1.00 61.55 H new ATOM 0 HG21 VAL A 66 4.963 2.240 -7.047 1.00 32.42 H new ATOM 0 HG22 VAL A 66 6.716 2.157 -6.749 1.00 32.42 H new ATOM 0 HG23 VAL A 66 5.720 3.342 -5.871 1.00 32.42 H new ATOM 1073 N ASN A 67 8.332 5.528 -5.533 1.00 24.34 N ATOM 1074 CA ASN A 67 8.474 6.351 -4.304 1.00 13.52 C ATOM 1075 C ASN A 67 7.449 5.979 -3.198 1.00 32.33 C ATOM 1076 O ASN A 67 7.138 6.802 -2.326 1.00 2.23 O ATOM 1077 CB ASN A 67 8.414 7.883 -4.645 1.00 33.25 C ATOM 1078 CG ASN A 67 9.610 8.419 -5.451 1.00 63.42 C ATOM 1079 OD1 ASN A 67 10.067 9.548 -5.233 1.00 31.34 O ATOM 1080 ND2 ASN A 67 10.104 7.655 -6.418 1.00 52.40 N ATOM 0 H ASN A 67 9.147 4.942 -5.715 1.00 24.34 H new ATOM 0 HA ASN A 67 9.458 6.125 -3.892 1.00 13.52 H new ATOM 0 HB2 ASN A 67 7.500 8.079 -5.206 1.00 33.25 H new ATOM 0 HB3 ASN A 67 8.343 8.444 -3.713 1.00 33.25 H new ATOM 0 HD21 ASN A 67 10.873 7.996 -6.995 1.00 52.40 H new ATOM 0 HD22 ASN A 67 9.715 6.727 -6.584 1.00 52.40 H new ATOM 1087 N ILE A 68 6.981 4.714 -3.202 1.00 42.31 N ATOM 1088 CA ILE A 68 6.135 4.160 -2.125 1.00 42.14 C ATOM 1089 C ILE A 68 7.059 3.491 -1.092 1.00 13.43 C ATOM 1090 O ILE A 68 7.812 2.573 -1.436 1.00 2.54 O ATOM 1091 CB ILE A 68 5.099 3.095 -2.660 1.00 50.32 C ATOM 1092 CG1 ILE A 68 4.216 3.682 -3.802 1.00 21.32 C ATOM 1093 CG2 ILE A 68 4.209 2.536 -1.510 1.00 64.22 C ATOM 1094 CD1 ILE A 68 3.350 4.855 -3.416 1.00 24.25 C ATOM 0 H ILE A 68 7.178 4.049 -3.950 1.00 42.31 H new ATOM 0 HA ILE A 68 5.561 4.975 -1.685 1.00 42.14 H new ATOM 0 HB ILE A 68 5.676 2.267 -3.072 1.00 50.32 H new ATOM 0 HG12 ILE A 68 4.868 3.988 -4.621 1.00 21.32 H new ATOM 0 HG13 ILE A 68 3.574 2.889 -4.185 1.00 21.32 H new ATOM 0 HG21 ILE A 68 3.508 1.806 -1.915 1.00 64.22 H new ATOM 0 HG22 ILE A 68 4.840 2.057 -0.761 1.00 64.22 H new ATOM 0 HG23 ILE A 68 3.655 3.353 -1.048 1.00 64.22 H new ATOM 0 HD11 ILE A 68 2.778 5.185 -4.283 1.00 24.25 H new ATOM 0 HD12 ILE A 68 2.666 4.556 -2.622 1.00 24.25 H new ATOM 0 HD13 ILE A 68 3.980 5.672 -3.064 1.00 24.25 H new ATOM 1106 N GLN A 69 7.003 3.975 0.153 1.00 55.11 N ATOM 1107 CA GLN A 69 7.815 3.459 1.266 1.00 41.24 C ATOM 1108 C GLN A 69 7.382 2.017 1.621 1.00 53.00 C ATOM 1109 O GLN A 69 6.185 1.743 1.760 1.00 43.10 O ATOM 1110 CB GLN A 69 7.661 4.384 2.510 1.00 61.24 C ATOM 1111 CG GLN A 69 8.707 4.128 3.617 1.00 72.34 C ATOM 1112 CD GLN A 69 8.405 4.822 4.945 1.00 4.32 C ATOM 1113 OE1 GLN A 69 7.728 5.851 4.999 1.00 23.35 O ATOM 1114 NE2 GLN A 69 8.936 4.282 6.026 1.00 4.54 N ATOM 0 H GLN A 69 6.388 4.743 0.422 1.00 55.11 H new ATOM 0 HA GLN A 69 8.861 3.445 0.961 1.00 41.24 H new ATOM 0 HB2 GLN A 69 7.734 5.423 2.189 1.00 61.24 H new ATOM 0 HB3 GLN A 69 6.664 4.249 2.929 1.00 61.24 H new ATOM 0 HG2 GLN A 69 8.779 3.054 3.790 1.00 72.34 H new ATOM 0 HG3 GLN A 69 9.683 4.460 3.262 1.00 72.34 H new ATOM 0 HE21 GLN A 69 9.492 3.430 5.950 1.00 4.54 H new ATOM 0 HE22 GLN A 69 8.791 4.717 6.937 1.00 4.54 H new ATOM 1123 N THR A 70 8.357 1.106 1.751 1.00 11.32 N ATOM 1124 CA THR A 70 8.102 -0.277 2.180 1.00 24.02 C ATOM 1125 C THR A 70 8.278 -0.343 3.711 1.00 44.20 C ATOM 1126 O THR A 70 9.406 -0.277 4.216 1.00 42.43 O ATOM 1127 CB THR A 70 9.070 -1.280 1.463 1.00 75.24 C ATOM 1128 OG1 THR A 70 9.080 -1.023 0.041 1.00 1.10 O ATOM 1129 CG2 THR A 70 8.666 -2.753 1.712 1.00 62.55 C ATOM 0 H THR A 70 9.340 1.305 1.563 1.00 11.32 H new ATOM 0 HA THR A 70 7.087 -0.566 1.907 1.00 24.02 H new ATOM 0 HB THR A 70 10.065 -1.127 1.881 1.00 75.24 H new ATOM 0 HG1 THR A 70 9.530 -0.170 -0.134 1.00 1.10 H new ATOM 0 HG21 THR A 70 9.363 -3.414 1.197 1.00 62.55 H new ATOM 0 HG22 THR A 70 8.691 -2.961 2.782 1.00 62.55 H new ATOM 0 HG23 THR A 70 7.658 -2.923 1.333 1.00 62.55 H new ATOM 1137 N ILE A 71 7.153 -0.422 4.438 1.00 50.24 N ATOM 1138 CA ILE A 71 7.133 -0.441 5.915 1.00 0.44 C ATOM 1139 C ILE A 71 7.475 -1.854 6.403 1.00 14.43 C ATOM 1140 O ILE A 71 8.432 -2.062 7.162 1.00 74.23 O ATOM 1141 CB ILE A 71 5.710 -0.009 6.443 1.00 62.44 C ATOM 1142 CG1 ILE A 71 5.333 1.404 5.909 1.00 35.14 C ATOM 1143 CG2 ILE A 71 5.611 -0.081 7.986 1.00 45.23 C ATOM 1144 CD1 ILE A 71 6.157 2.539 6.474 1.00 35.13 C ATOM 0 H ILE A 71 6.225 -0.475 4.019 1.00 50.24 H new ATOM 0 HA ILE A 71 7.871 0.263 6.300 1.00 0.44 H new ATOM 0 HB ILE A 71 4.985 -0.724 6.054 1.00 62.44 H new ATOM 0 HG12 ILE A 71 5.435 1.405 4.824 1.00 35.14 H new ATOM 0 HG13 ILE A 71 4.282 1.592 6.131 1.00 35.14 H new ATOM 0 HG21 ILE A 71 4.614 0.226 8.301 1.00 45.23 H new ATOM 0 HG22 ILE A 71 5.798 -1.103 8.315 1.00 45.23 H new ATOM 0 HG23 ILE A 71 6.352 0.584 8.430 1.00 45.23 H new ATOM 0 HD11 ILE A 71 5.821 3.482 6.043 1.00 35.13 H new ATOM 0 HD12 ILE A 71 6.037 2.572 7.557 1.00 35.13 H new ATOM 0 HD13 ILE A 71 7.208 2.382 6.230 1.00 35.13 H new ATOM 1156 N ALA A 72 6.678 -2.814 5.926 1.00 43.34 N ATOM 1157 CA ALA A 72 6.841 -4.237 6.225 1.00 1.41 C ATOM 1158 C ALA A 72 6.414 -5.051 4.999 1.00 72.13 C ATOM 1159 O ALA A 72 5.639 -4.564 4.163 1.00 72.21 O ATOM 1160 CB ALA A 72 6.012 -4.615 7.469 1.00 63.30 C ATOM 0 H ALA A 72 5.888 -2.619 5.311 1.00 43.34 H new ATOM 0 HA ALA A 72 7.885 -4.458 6.447 1.00 1.41 H new ATOM 0 HB1 ALA A 72 6.140 -5.676 7.683 1.00 63.30 H new ATOM 0 HB2 ALA A 72 6.350 -4.029 8.324 1.00 63.30 H new ATOM 0 HB3 ALA A 72 4.959 -4.408 7.281 1.00 63.30 H new ATOM 1166 N MET A 73 6.953 -6.267 4.883 1.00 42.10 N ATOM 1167 CA MET A 73 6.619 -7.208 3.803 1.00 3.01 C ATOM 1168 C MET A 73 6.929 -8.630 4.278 1.00 74.15 C ATOM 1169 O MET A 73 8.011 -8.875 4.828 1.00 1.53 O ATOM 1170 CB MET A 73 7.411 -6.865 2.502 1.00 64.34 C ATOM 1171 CG MET A 73 7.141 -7.804 1.309 1.00 64.11 C ATOM 1172 SD MET A 73 7.903 -7.244 -0.233 1.00 24.43 S ATOM 1173 CE MET A 73 7.014 -5.719 -0.563 1.00 35.43 C ATOM 0 H MET A 73 7.641 -6.633 5.541 1.00 42.10 H new ATOM 0 HA MET A 73 5.558 -7.129 3.564 1.00 3.01 H new ATOM 0 HB2 MET A 73 7.168 -5.845 2.205 1.00 64.34 H new ATOM 0 HB3 MET A 73 8.477 -6.886 2.727 1.00 64.34 H new ATOM 0 HG2 MET A 73 7.513 -8.800 1.549 1.00 64.11 H new ATOM 0 HG3 MET A 73 6.065 -7.893 1.162 1.00 64.11 H new ATOM 0 HE1 MET A 73 7.143 -5.442 -1.609 1.00 35.43 H new ATOM 0 HE2 MET A 73 5.954 -5.863 -0.353 1.00 35.43 H new ATOM 0 HE3 MET A 73 7.405 -4.925 0.073 1.00 35.43 H new ATOM 1183 N SER A 74 5.974 -9.558 4.085 1.00 53.10 N ATOM 1184 CA SER A 74 6.174 -10.974 4.422 1.00 53.40 C ATOM 1185 C SER A 74 7.170 -11.620 3.442 1.00 31.13 C ATOM 1186 O SER A 74 7.323 -11.163 2.297 1.00 33.20 O ATOM 1187 CB SER A 74 4.825 -11.730 4.444 1.00 31.32 C ATOM 1188 OG SER A 74 3.965 -11.207 5.446 1.00 42.35 O ATOM 0 H SER A 74 5.055 -9.349 3.696 1.00 53.10 H new ATOM 0 HA SER A 74 6.599 -11.039 5.424 1.00 53.40 H new ATOM 0 HB2 SER A 74 4.344 -11.651 3.469 1.00 31.32 H new ATOM 0 HB3 SER A 74 5.001 -12.790 4.628 1.00 31.32 H new ATOM 0 HG SER A 74 3.767 -10.268 5.249 1.00 42.35 H new ATOM 1194 N ARG A 75 7.819 -12.693 3.906 1.00 4.11 N ATOM 1195 CA ARG A 75 8.918 -13.356 3.184 1.00 24.22 C ATOM 1196 C ARG A 75 8.373 -14.160 1.986 1.00 30.23 C ATOM 1197 O ARG A 75 7.196 -14.541 1.974 1.00 45.33 O ATOM 1198 CB ARG A 75 9.691 -14.273 4.167 1.00 70.55 C ATOM 1199 CG ARG A 75 10.383 -13.511 5.325 1.00 71.03 C ATOM 1200 CD ARG A 75 11.021 -14.452 6.363 1.00 65.54 C ATOM 1201 NE ARG A 75 11.941 -15.422 5.741 1.00 61.23 N ATOM 1202 CZ ARG A 75 12.226 -16.650 6.210 1.00 50.21 C ATOM 1203 NH1 ARG A 75 11.678 -17.107 7.335 1.00 3.52 N ATOM 1204 NH2 ARG A 75 13.030 -17.443 5.508 1.00 62.12 N ATOM 0 H ARG A 75 7.597 -13.132 4.800 1.00 4.11 H new ATOM 0 HA ARG A 75 9.601 -12.604 2.789 1.00 24.22 H new ATOM 0 HB2 ARG A 75 8.999 -15.003 4.588 1.00 70.55 H new ATOM 0 HB3 ARG A 75 10.444 -14.831 3.611 1.00 70.55 H new ATOM 0 HG2 ARG A 75 11.152 -12.856 4.914 1.00 71.03 H new ATOM 0 HG3 ARG A 75 9.652 -12.873 5.821 1.00 71.03 H new ATOM 0 HD2 ARG A 75 11.563 -13.862 7.102 1.00 65.54 H new ATOM 0 HD3 ARG A 75 10.236 -14.988 6.896 1.00 65.54 H new ATOM 0 HE ARG A 75 12.403 -15.136 4.878 1.00 61.23 H new ATOM 0 HH11 ARG A 75 11.028 -16.522 7.860 1.00 3.52 H new ATOM 0 HH12 ARG A 75 11.909 -18.042 7.672 1.00 3.52 H new ATOM 0 HH21 ARG A 75 13.423 -17.118 4.625 1.00 62.12 H new ATOM 0 HH22 ARG A 75 13.254 -18.376 5.853 1.00 62.12 H new ATOM 1218 N ALA A 76 9.238 -14.382 0.980 1.00 34.01 N ATOM 1219 CA ALA A 76 8.909 -15.167 -0.226 1.00 11.11 C ATOM 1220 C ALA A 76 8.598 -16.628 0.157 1.00 3.24 C ATOM 1221 O ALA A 76 9.450 -17.311 0.730 1.00 64.03 O ATOM 1222 CB ALA A 76 10.087 -15.097 -1.219 1.00 62.33 C ATOM 0 H ALA A 76 10.192 -14.020 0.980 1.00 34.01 H new ATOM 0 HA ALA A 76 8.022 -14.749 -0.702 1.00 11.11 H new ATOM 0 HB1 ALA A 76 9.846 -15.676 -2.111 1.00 62.33 H new ATOM 0 HB2 ALA A 76 10.266 -14.059 -1.498 1.00 62.33 H new ATOM 0 HB3 ALA A 76 10.982 -15.507 -0.751 1.00 62.33 H new ATOM 1228 N GLY A 77 7.375 -17.092 -0.159 1.00 63.11 N ATOM 1229 CA GLY A 77 6.917 -18.431 0.237 1.00 3.24 C ATOM 1230 C GLY A 77 6.081 -18.434 1.519 1.00 0.20 C ATOM 1231 O GLY A 77 5.371 -19.412 1.784 1.00 41.43 O ATOM 0 H GLY A 77 6.687 -16.556 -0.688 1.00 63.11 H new ATOM 0 HA2 GLY A 77 6.327 -18.859 -0.573 1.00 3.24 H new ATOM 0 HA3 GLY A 77 7.784 -19.077 0.376 1.00 3.24 H new ATOM 1235 N SER A 78 6.168 -17.354 2.322 1.00 2.35 N ATOM 1236 CA SER A 78 5.406 -17.228 3.575 1.00 60.12 C ATOM 1237 C SER A 78 3.981 -16.704 3.289 1.00 73.42 C ATOM 1238 O SER A 78 3.803 -15.565 2.832 1.00 54.13 O ATOM 1239 CB SER A 78 6.149 -16.273 4.544 1.00 10.32 C ATOM 1240 OG SER A 78 7.479 -16.708 4.782 1.00 61.42 O ATOM 0 H SER A 78 6.765 -16.552 2.120 1.00 2.35 H new ATOM 0 HA SER A 78 5.322 -18.210 4.040 1.00 60.12 H new ATOM 0 HB2 SER A 78 6.163 -15.267 4.126 1.00 10.32 H new ATOM 0 HB3 SER A 78 5.608 -16.218 5.489 1.00 10.32 H new ATOM 0 HG SER A 78 7.780 -16.377 5.654 1.00 61.42 H new ATOM 1246 N ARG A 79 2.975 -17.544 3.576 1.00 74.55 N ATOM 1247 CA ARG A 79 1.541 -17.220 3.410 1.00 61.34 C ATOM 1248 C ARG A 79 0.809 -17.355 4.781 1.00 55.43 C ATOM 1249 O ARG A 79 1.192 -18.214 5.584 1.00 21.42 O ATOM 1250 CB ARG A 79 0.875 -18.128 2.313 1.00 45.32 C ATOM 1251 CG ARG A 79 0.886 -17.555 0.866 1.00 52.23 C ATOM 1252 CD ARG A 79 2.286 -17.439 0.236 1.00 3.52 C ATOM 1253 NE ARG A 79 2.930 -18.756 0.025 1.00 71.14 N ATOM 1254 CZ ARG A 79 3.591 -19.135 -1.088 1.00 52.53 C ATOM 1255 NH1 ARG A 79 3.716 -18.316 -2.130 1.00 1.21 N ATOM 1256 NH2 ARG A 79 4.150 -20.339 -1.142 1.00 24.33 N ATOM 0 H ARG A 79 3.133 -18.485 3.937 1.00 74.55 H new ATOM 0 HA ARG A 79 1.452 -16.189 3.068 1.00 61.34 H new ATOM 0 HB2 ARG A 79 1.385 -19.092 2.307 1.00 45.32 H new ATOM 0 HB3 ARG A 79 -0.159 -18.316 2.602 1.00 45.32 H new ATOM 0 HG2 ARG A 79 0.268 -18.191 0.232 1.00 52.23 H new ATOM 0 HG3 ARG A 79 0.423 -16.568 0.876 1.00 52.23 H new ATOM 0 HD2 ARG A 79 2.208 -16.920 -0.720 1.00 3.52 H new ATOM 0 HD3 ARG A 79 2.920 -16.828 0.879 1.00 3.52 H new ATOM 0 HE ARG A 79 2.868 -19.433 0.785 1.00 71.14 H new ATOM 0 HH11 ARG A 79 3.308 -17.382 -2.096 1.00 1.21 H new ATOM 0 HH12 ARG A 79 4.220 -18.623 -2.962 1.00 1.21 H new ATOM 0 HH21 ARG A 79 4.078 -20.971 -0.345 1.00 24.33 H new ATOM 0 HH22 ARG A 79 4.651 -20.631 -1.981 1.00 24.33 H new ATOM 1270 N PRO A 80 -0.249 -16.512 5.091 1.00 3.12 N ATOM 1271 CA PRO A 80 -0.760 -15.434 4.203 1.00 50.24 C ATOM 1272 C PRO A 80 0.219 -14.243 4.097 1.00 62.12 C ATOM 1273 O PRO A 80 0.584 -13.638 5.115 1.00 74.11 O ATOM 1274 CB PRO A 80 -2.104 -15.025 4.870 1.00 13.42 C ATOM 1275 CG PRO A 80 -1.934 -15.357 6.320 1.00 34.31 C ATOM 1276 CD PRO A 80 -1.033 -16.583 6.365 1.00 24.41 C ATOM 0 HA PRO A 80 -0.882 -15.767 3.172 1.00 50.24 H new ATOM 0 HB2 PRO A 80 -2.307 -13.963 4.729 1.00 13.42 H new ATOM 0 HB3 PRO A 80 -2.942 -15.570 4.436 1.00 13.42 H new ATOM 0 HG2 PRO A 80 -1.487 -14.524 6.862 1.00 34.31 H new ATOM 0 HG3 PRO A 80 -2.896 -15.562 6.789 1.00 34.31 H new ATOM 0 HD2 PRO A 80 -0.379 -16.564 7.237 1.00 24.41 H new ATOM 0 HD3 PRO A 80 -1.615 -17.503 6.423 1.00 24.41 H new ATOM 1284 N TRP A 81 0.663 -13.958 2.854 1.00 1.34 N ATOM 1285 CA TRP A 81 1.598 -12.865 2.576 1.00 43.22 C ATOM 1286 C TRP A 81 0.909 -11.523 2.867 1.00 22.33 C ATOM 1287 O TRP A 81 -0.128 -11.221 2.288 1.00 62.34 O ATOM 1288 CB TRP A 81 2.107 -12.917 1.102 1.00 24.33 C ATOM 1289 CG TRP A 81 3.055 -11.779 0.759 1.00 25.32 C ATOM 1290 CD1 TRP A 81 4.415 -11.751 0.905 1.00 40.33 C ATOM 1291 CD2 TRP A 81 2.693 -10.491 0.237 1.00 53.11 C ATOM 1292 NE1 TRP A 81 4.906 -10.522 0.543 1.00 51.45 N ATOM 1293 CE2 TRP A 81 3.869 -9.737 0.122 1.00 63.21 C ATOM 1294 CE3 TRP A 81 1.478 -9.912 -0.139 1.00 23.00 C ATOM 1295 CZ2 TRP A 81 3.866 -8.432 -0.354 1.00 43.12 C ATOM 1296 CZ3 TRP A 81 1.475 -8.621 -0.601 1.00 53.22 C ATOM 1297 CH2 TRP A 81 2.658 -7.893 -0.710 1.00 42.02 C ATOM 0 H TRP A 81 0.381 -14.480 2.025 1.00 1.34 H new ATOM 0 HA TRP A 81 2.468 -12.973 3.223 1.00 43.22 H new ATOM 0 HB2 TRP A 81 2.613 -13.867 0.932 1.00 24.33 H new ATOM 0 HB3 TRP A 81 1.252 -12.886 0.427 1.00 24.33 H new ATOM 0 HD1 TRP A 81 5.016 -12.577 1.255 1.00 40.33 H new ATOM 0 HE1 TRP A 81 5.885 -10.240 0.582 1.00 51.45 H new ATOM 0 HE3 TRP A 81 0.557 -10.472 -0.067 1.00 23.00 H new ATOM 0 HZ2 TRP A 81 4.781 -7.864 -0.440 1.00 43.12 H new ATOM 0 HZ3 TRP A 81 0.540 -8.161 -0.885 1.00 53.22 H new ATOM 0 HH2 TRP A 81 2.622 -6.880 -1.084 1.00 42.02 H new ATOM 1308 N LYS A 82 1.479 -10.745 3.780 1.00 73.10 N ATOM 1309 CA LYS A 82 0.973 -9.414 4.117 1.00 51.13 C ATOM 1310 C LYS A 82 2.100 -8.380 4.044 1.00 12.53 C ATOM 1311 O LYS A 82 3.251 -8.679 4.367 1.00 21.02 O ATOM 1312 CB LYS A 82 0.332 -9.464 5.519 1.00 51.23 C ATOM 1313 CG LYS A 82 -0.320 -8.151 6.000 1.00 52.45 C ATOM 1314 CD LYS A 82 -1.085 -8.342 7.330 1.00 11.44 C ATOM 1315 CE LYS A 82 -0.191 -8.867 8.469 1.00 73.02 C ATOM 1316 NZ LYS A 82 -0.977 -9.165 9.699 1.00 24.05 N ATOM 0 H LYS A 82 2.307 -11.017 4.310 1.00 73.10 H new ATOM 0 HA LYS A 82 0.213 -9.110 3.397 1.00 51.13 H new ATOM 0 HB2 LYS A 82 -0.425 -10.248 5.525 1.00 51.23 H new ATOM 0 HB3 LYS A 82 1.097 -9.754 6.239 1.00 51.23 H new ATOM 0 HG2 LYS A 82 0.449 -7.390 6.129 1.00 52.45 H new ATOM 0 HG3 LYS A 82 -1.006 -7.785 5.236 1.00 52.45 H new ATOM 0 HD2 LYS A 82 -1.524 -7.391 7.630 1.00 11.44 H new ATOM 0 HD3 LYS A 82 -1.909 -9.038 7.172 1.00 11.44 H new ATOM 0 HE2 LYS A 82 0.324 -9.769 8.140 1.00 73.02 H new ATOM 0 HE3 LYS A 82 0.576 -8.128 8.699 1.00 73.02 H new ATOM 0 HZ1 LYS A 82 -0.339 -9.516 10.442 1.00 24.05 H new ATOM 0 HZ2 LYS A 82 -1.448 -8.298 10.028 1.00 24.05 H new ATOM 0 HZ3 LYS A 82 -1.693 -9.889 9.487 1.00 24.05 H new ATOM 1330 N ALA A 83 1.747 -7.157 3.635 1.00 41.23 N ATOM 1331 CA ALA A 83 2.695 -6.048 3.499 1.00 24.54 C ATOM 1332 C ALA A 83 2.014 -4.745 3.891 1.00 75.42 C ATOM 1333 O ALA A 83 0.818 -4.561 3.652 1.00 34.45 O ATOM 1334 CB ALA A 83 3.250 -5.942 2.073 1.00 65.24 C ATOM 0 H ALA A 83 0.789 -6.908 3.388 1.00 41.23 H new ATOM 0 HA ALA A 83 3.536 -6.242 4.164 1.00 24.54 H new ATOM 0 HB1 ALA A 83 3.949 -5.107 2.016 1.00 65.24 H new ATOM 0 HB2 ALA A 83 3.767 -6.866 1.814 1.00 65.24 H new ATOM 0 HB3 ALA A 83 2.430 -5.777 1.375 1.00 65.24 H new ATOM 1340 N TYR A 84 2.788 -3.862 4.511 1.00 51.31 N ATOM 1341 CA TYR A 84 2.360 -2.518 4.887 1.00 4.44 C ATOM 1342 C TYR A 84 3.166 -1.517 4.057 1.00 11.21 C ATOM 1343 O TYR A 84 4.403 -1.557 4.061 1.00 72.23 O ATOM 1344 CB TYR A 84 2.567 -2.315 6.407 1.00 1.25 C ATOM 1345 CG TYR A 84 1.692 -3.255 7.249 1.00 44.12 C ATOM 1346 CD1 TYR A 84 0.401 -2.882 7.625 1.00 74.31 C ATOM 1347 CD2 TYR A 84 2.138 -4.519 7.645 1.00 3.24 C ATOM 1348 CE1 TYR A 84 -0.402 -3.715 8.362 1.00 4.12 C ATOM 1349 CE2 TYR A 84 1.330 -5.362 8.384 1.00 65.41 C ATOM 1350 CZ TYR A 84 0.060 -4.952 8.740 1.00 72.42 C ATOM 1351 OH TYR A 84 -0.755 -5.788 9.478 1.00 0.50 O ATOM 0 H TYR A 84 3.753 -4.064 4.773 1.00 51.31 H new ATOM 0 HA TYR A 84 1.300 -2.368 4.684 1.00 4.44 H new ATOM 0 HB2 TYR A 84 3.616 -2.482 6.653 1.00 1.25 H new ATOM 0 HB3 TYR A 84 2.339 -1.281 6.667 1.00 1.25 H new ATOM 0 HD1 TYR A 84 0.025 -1.914 7.329 1.00 74.31 H new ATOM 0 HD2 TYR A 84 3.131 -4.842 7.369 1.00 3.24 H new ATOM 0 HE1 TYR A 84 -1.395 -3.399 8.644 1.00 4.12 H new ATOM 0 HE2 TYR A 84 1.690 -6.336 8.682 1.00 65.41 H new ATOM 0 HH TYR A 84 -1.677 -5.714 9.155 1.00 0.50 H new ATOM 1361 N LEU A 85 2.461 -0.681 3.285 1.00 71.42 N ATOM 1362 CA LEU A 85 3.066 0.293 2.364 1.00 45.22 C ATOM 1363 C LEU A 85 2.578 1.700 2.718 1.00 3.34 C ATOM 1364 O LEU A 85 1.391 1.893 2.975 1.00 72.12 O ATOM 1365 CB LEU A 85 2.667 -0.048 0.897 1.00 2.23 C ATOM 1366 CG LEU A 85 2.964 -1.503 0.414 1.00 31.44 C ATOM 1367 CD1 LEU A 85 2.579 -1.688 -1.071 1.00 1.12 C ATOM 1368 CD2 LEU A 85 4.434 -1.888 0.682 1.00 74.54 C ATOM 0 H LEU A 85 1.441 -0.661 3.281 1.00 71.42 H new ATOM 0 HA LEU A 85 4.151 0.251 2.456 1.00 45.22 H new ATOM 0 HB2 LEU A 85 1.599 0.138 0.782 1.00 2.23 H new ATOM 0 HB3 LEU A 85 3.185 0.644 0.233 1.00 2.23 H new ATOM 0 HG LEU A 85 2.342 -2.185 0.994 1.00 31.44 H new ATOM 0 HD11 LEU A 85 2.797 -2.711 -1.379 1.00 1.12 H new ATOM 0 HD12 LEU A 85 1.515 -1.490 -1.198 1.00 1.12 H new ATOM 0 HD13 LEU A 85 3.153 -0.994 -1.685 1.00 1.12 H new ATOM 0 HD21 LEU A 85 4.612 -2.906 0.336 1.00 74.54 H new ATOM 0 HD22 LEU A 85 5.093 -1.203 0.149 1.00 74.54 H new ATOM 0 HD23 LEU A 85 4.637 -1.828 1.751 1.00 74.54 H new ATOM 1380 N SER A 86 3.478 2.679 2.680 1.00 50.23 N ATOM 1381 CA SER A 86 3.168 4.064 3.054 1.00 71.42 C ATOM 1382 C SER A 86 3.626 5.003 1.950 1.00 2.31 C ATOM 1383 O SER A 86 4.551 4.685 1.203 1.00 74.03 O ATOM 1384 CB SER A 86 3.844 4.450 4.386 1.00 31.00 C ATOM 1385 OG SER A 86 3.469 5.756 4.794 1.00 4.04 O ATOM 0 H SER A 86 4.445 2.538 2.389 1.00 50.23 H new ATOM 0 HA SER A 86 2.090 4.150 3.188 1.00 71.42 H new ATOM 0 HB2 SER A 86 3.568 3.732 5.158 1.00 31.00 H new ATOM 0 HB3 SER A 86 4.927 4.398 4.275 1.00 31.00 H new ATOM 0 HG SER A 86 2.532 5.917 4.556 1.00 4.04 H new ATOM 1391 N ALA A 87 2.955 6.142 1.844 1.00 45.33 N ATOM 1392 CA ALA A 87 3.339 7.215 0.934 1.00 3.22 C ATOM 1393 C ALA A 87 2.775 8.540 1.431 1.00 32.04 C ATOM 1394 O ALA A 87 1.971 8.579 2.367 1.00 52.21 O ATOM 1395 CB ALA A 87 2.849 6.913 -0.493 1.00 11.32 C ATOM 0 H ALA A 87 2.120 6.350 2.392 1.00 45.33 H new ATOM 0 HA ALA A 87 4.426 7.286 0.908 1.00 3.22 H new ATOM 0 HB1 ALA A 87 3.144 7.724 -1.158 1.00 11.32 H new ATOM 0 HB2 ALA A 87 3.292 5.979 -0.840 1.00 11.32 H new ATOM 0 HB3 ALA A 87 1.763 6.821 -0.493 1.00 11.32 H new ATOM 1401 N GLN A 88 3.236 9.620 0.814 1.00 2.23 N ATOM 1402 CA GLN A 88 2.679 10.967 0.972 1.00 25.33 C ATOM 1403 C GLN A 88 2.655 11.605 -0.408 1.00 13.33 C ATOM 1404 O GLN A 88 3.523 11.298 -1.232 1.00 74.40 O ATOM 1405 CB GLN A 88 3.542 11.820 1.940 1.00 74.30 C ATOM 1406 CG GLN A 88 3.628 11.284 3.371 1.00 53.14 C ATOM 1407 CD GLN A 88 4.560 12.098 4.255 1.00 22.23 C ATOM 1408 OE1 GLN A 88 5.735 11.798 4.360 1.00 70.53 O ATOM 1409 NE2 GLN A 88 4.056 13.154 4.866 1.00 23.44 N ATOM 0 H GLN A 88 4.028 9.588 0.172 1.00 2.23 H new ATOM 0 HA GLN A 88 1.677 10.912 1.398 1.00 25.33 H new ATOM 0 HB2 GLN A 88 4.551 11.894 1.534 1.00 74.30 H new ATOM 0 HB3 GLN A 88 3.136 12.831 1.970 1.00 74.30 H new ATOM 0 HG2 GLN A 88 2.631 11.278 3.812 1.00 53.14 H new ATOM 0 HG3 GLN A 88 3.971 10.250 3.346 1.00 53.14 H new ATOM 0 HE21 GLN A 88 3.067 13.381 4.760 1.00 23.44 H new ATOM 0 HE22 GLN A 88 4.655 13.743 5.444 1.00 23.44 H new ATOM 1418 N ASP A 89 1.649 12.433 -0.709 1.00 55.44 N ATOM 1419 CA ASP A 89 1.681 13.243 -1.941 1.00 42.42 C ATOM 1420 C ASP A 89 1.964 14.722 -1.583 1.00 33.50 C ATOM 1421 O ASP A 89 2.082 15.068 -0.400 1.00 73.13 O ATOM 1422 CB ASP A 89 0.367 13.063 -2.772 1.00 14.35 C ATOM 1423 CG ASP A 89 -0.725 14.083 -2.442 1.00 31.40 C ATOM 1424 OD1 ASP A 89 -1.255 14.074 -1.313 1.00 63.23 O ATOM 1425 OD2 ASP A 89 -0.993 14.956 -3.291 1.00 71.50 O ATOM 0 H ASP A 89 0.817 12.562 -0.133 1.00 55.44 H new ATOM 0 HA ASP A 89 2.492 12.895 -2.581 1.00 42.42 H new ATOM 0 HB2 ASP A 89 0.608 13.135 -3.833 1.00 14.35 H new ATOM 0 HB3 ASP A 89 -0.024 12.060 -2.601 1.00 14.35 H new ATOM 1430 N ASP A 90 2.125 15.555 -2.619 1.00 31.34 N ATOM 1431 CA ASP A 90 2.383 17.011 -2.474 1.00 42.22 C ATOM 1432 C ASP A 90 1.313 17.793 -1.626 1.00 40.14 C ATOM 1433 O ASP A 90 1.672 18.767 -0.949 1.00 55.21 O ATOM 1434 CB ASP A 90 2.544 17.637 -3.886 1.00 53.33 C ATOM 1435 CG ASP A 90 2.788 19.158 -3.879 1.00 30.11 C ATOM 1436 OD1 ASP A 90 3.954 19.578 -3.719 1.00 62.41 O ATOM 1437 OD2 ASP A 90 1.824 19.938 -4.053 1.00 11.40 O ATOM 0 H ASP A 90 2.081 15.246 -3.590 1.00 31.34 H new ATOM 0 HA ASP A 90 3.304 17.109 -1.899 1.00 42.22 H new ATOM 0 HB2 ASP A 90 3.376 17.149 -4.395 1.00 53.33 H new ATOM 0 HB3 ASP A 90 1.647 17.427 -4.469 1.00 53.33 H new ATOM 1442 N THR A 91 0.017 17.357 -1.612 1.00 74.30 N ATOM 1443 CA THR A 91 -1.032 18.023 -0.764 1.00 11.01 C ATOM 1444 C THR A 91 -1.004 17.480 0.669 1.00 25.53 C ATOM 1445 O THR A 91 -1.790 17.925 1.525 1.00 42.13 O ATOM 1446 CB THR A 91 -2.495 17.924 -1.341 1.00 33.35 C ATOM 1447 OG1 THR A 91 -2.857 16.567 -1.618 1.00 33.24 O ATOM 1448 CG2 THR A 91 -2.675 18.788 -2.603 1.00 34.02 C ATOM 0 H THR A 91 -0.324 16.568 -2.162 1.00 74.30 H new ATOM 0 HA THR A 91 -0.770 19.081 -0.770 1.00 11.01 H new ATOM 0 HB THR A 91 -3.161 18.310 -0.570 1.00 33.35 H new ATOM 0 HG1 THR A 91 -2.245 16.195 -2.287 1.00 33.24 H new ATOM 0 HG21 THR A 91 -3.697 18.691 -2.968 1.00 34.02 H new ATOM 0 HG22 THR A 91 -2.474 19.832 -2.361 1.00 34.02 H new ATOM 0 HG23 THR A 91 -1.981 18.454 -3.374 1.00 34.02 H new ATOM 1456 N GLY A 92 -0.107 16.519 0.918 1.00 42.35 N ATOM 1457 CA GLY A 92 0.200 16.061 2.261 1.00 22.05 C ATOM 1458 C GLY A 92 -0.720 14.969 2.760 1.00 12.42 C ATOM 1459 O GLY A 92 -0.799 14.764 3.970 1.00 63.00 O ATOM 0 H GLY A 92 0.422 16.042 0.188 1.00 42.35 H new ATOM 0 HA2 GLY A 92 1.227 15.697 2.284 1.00 22.05 H new ATOM 0 HA3 GLY A 92 0.147 16.908 2.945 1.00 22.05 H new ATOM 1463 N CYS A 93 -1.418 14.267 1.842 1.00 4.41 N ATOM 1464 CA CYS A 93 -2.231 13.097 2.212 1.00 22.31 C ATOM 1465 C CYS A 93 -1.299 11.979 2.699 1.00 21.43 C ATOM 1466 O CYS A 93 -0.375 11.595 1.980 1.00 15.31 O ATOM 1467 CB CYS A 93 -3.066 12.591 1.021 1.00 24.31 C ATOM 1468 SG CYS A 93 -4.089 13.845 0.249 1.00 51.33 S ATOM 0 H CYS A 93 -1.433 14.491 0.847 1.00 4.41 H new ATOM 0 HA CYS A 93 -2.921 13.390 3.003 1.00 22.31 H new ATOM 0 HB2 CYS A 93 -2.393 12.176 0.271 1.00 24.31 H new ATOM 0 HB3 CYS A 93 -3.705 11.776 1.361 1.00 24.31 H new ATOM 0 HG CYS A 93 -5.280 13.815 0.770 1.00 51.33 H new ATOM 1474 N LEU A 94 -1.517 11.504 3.928 1.00 24.33 N ATOM 1475 CA LEU A 94 -0.738 10.400 4.499 1.00 72.50 C ATOM 1476 C LEU A 94 -1.426 9.080 4.089 1.00 40.40 C ATOM 1477 O LEU A 94 -2.499 8.765 4.594 1.00 72.31 O ATOM 1478 CB LEU A 94 -0.664 10.579 6.056 1.00 65.15 C ATOM 1479 CG LEU A 94 0.508 9.878 6.826 1.00 23.10 C ATOM 1480 CD1 LEU A 94 0.448 8.348 6.730 1.00 20.42 C ATOM 1481 CD2 LEU A 94 1.867 10.425 6.353 1.00 61.52 C ATOM 0 H LEU A 94 -2.234 11.871 4.553 1.00 24.33 H new ATOM 0 HA LEU A 94 0.286 10.387 4.127 1.00 72.50 H new ATOM 0 HB2 LEU A 94 -0.609 11.647 6.266 1.00 65.15 H new ATOM 0 HB3 LEU A 94 -1.602 10.219 6.478 1.00 65.15 H new ATOM 0 HG LEU A 94 0.390 10.117 7.883 1.00 23.10 H new ATOM 0 HD11 LEU A 94 1.283 7.916 7.281 1.00 20.42 H new ATOM 0 HD12 LEU A 94 -0.490 7.993 7.156 1.00 20.42 H new ATOM 0 HD13 LEU A 94 0.508 8.046 5.684 1.00 20.42 H new ATOM 0 HD21 LEU A 94 2.669 9.927 6.898 1.00 61.52 H new ATOM 0 HD22 LEU A 94 1.983 10.238 5.285 1.00 61.52 H new ATOM 0 HD23 LEU A 94 1.912 11.498 6.540 1.00 61.52 H new ATOM 1493 N PHE A 95 -0.771 8.315 3.207 1.00 34.11 N ATOM 1494 CA PHE A 95 -1.324 7.084 2.615 1.00 32.34 C ATOM 1495 C PHE A 95 -0.833 5.867 3.402 1.00 52.54 C ATOM 1496 O PHE A 95 0.375 5.670 3.571 1.00 22.23 O ATOM 1497 CB PHE A 95 -0.897 6.947 1.132 1.00 42.41 C ATOM 1498 CG PHE A 95 -1.405 8.065 0.231 1.00 50.21 C ATOM 1499 CD1 PHE A 95 -2.692 8.016 -0.309 1.00 23.04 C ATOM 1500 CD2 PHE A 95 -0.598 9.156 -0.082 1.00 72.21 C ATOM 1501 CE1 PHE A 95 -3.151 9.024 -1.130 1.00 15.41 C ATOM 1502 CE2 PHE A 95 -1.059 10.162 -0.900 1.00 51.35 C ATOM 1503 CZ PHE A 95 -2.335 10.094 -1.425 1.00 70.34 C ATOM 0 H PHE A 95 0.170 8.534 2.878 1.00 34.11 H new ATOM 0 HA PHE A 95 -2.412 7.138 2.661 1.00 32.34 H new ATOM 0 HB2 PHE A 95 0.191 6.920 1.080 1.00 42.41 H new ATOM 0 HB3 PHE A 95 -1.259 5.993 0.748 1.00 42.41 H new ATOM 0 HD1 PHE A 95 -3.335 7.179 -0.081 1.00 23.04 H new ATOM 0 HD2 PHE A 95 0.402 9.213 0.322 1.00 72.21 H new ATOM 0 HE1 PHE A 95 -4.148 8.975 -1.541 1.00 15.41 H new ATOM 0 HE2 PHE A 95 -0.424 11.004 -1.131 1.00 51.35 H new ATOM 0 HZ PHE A 95 -2.694 10.883 -2.069 1.00 70.34 H new ATOM 1513 N LEU A 96 -1.782 5.085 3.902 1.00 15.41 N ATOM 1514 CA LEU A 96 -1.536 3.821 4.594 1.00 60.42 C ATOM 1515 C LEU A 96 -2.212 2.688 3.797 1.00 31.40 C ATOM 1516 O LEU A 96 -3.418 2.742 3.554 1.00 51.54 O ATOM 1517 CB LEU A 96 -2.142 3.905 6.014 1.00 10.12 C ATOM 1518 CG LEU A 96 -1.680 5.092 6.912 1.00 31.41 C ATOM 1519 CD1 LEU A 96 -2.594 5.235 8.130 1.00 50.13 C ATOM 1520 CD2 LEU A 96 -0.214 4.947 7.348 1.00 65.44 C ATOM 0 H LEU A 96 -2.773 5.317 3.837 1.00 15.41 H new ATOM 0 HA LEU A 96 -0.467 3.624 4.671 1.00 60.42 H new ATOM 0 HB2 LEU A 96 -3.226 3.956 5.917 1.00 10.12 H new ATOM 0 HB3 LEU A 96 -1.912 2.976 6.536 1.00 10.12 H new ATOM 0 HG LEU A 96 -1.752 5.999 6.312 1.00 31.41 H new ATOM 0 HD11 LEU A 96 -2.254 6.069 8.744 1.00 50.13 H new ATOM 0 HD12 LEU A 96 -3.616 5.421 7.798 1.00 50.13 H new ATOM 0 HD13 LEU A 96 -2.564 4.317 8.717 1.00 50.13 H new ATOM 0 HD21 LEU A 96 0.066 5.796 7.972 1.00 65.44 H new ATOM 0 HD22 LEU A 96 -0.093 4.024 7.915 1.00 65.44 H new ATOM 0 HD23 LEU A 96 0.427 4.918 6.467 1.00 65.44 H new ATOM 1532 N THR A 97 -1.434 1.679 3.383 1.00 63.42 N ATOM 1533 CA THR A 97 -1.934 0.527 2.599 1.00 10.13 C ATOM 1534 C THR A 97 -1.513 -0.808 3.258 1.00 23.44 C ATOM 1535 O THR A 97 -0.434 -0.905 3.842 1.00 64.04 O ATOM 1536 CB THR A 97 -1.394 0.607 1.126 1.00 42.54 C ATOM 1537 OG1 THR A 97 -1.743 1.882 0.570 1.00 44.21 O ATOM 1538 CG2 THR A 97 -1.944 -0.511 0.205 1.00 64.00 C ATOM 0 H THR A 97 -0.434 1.633 3.580 1.00 63.42 H new ATOM 0 HA THR A 97 -3.023 0.566 2.579 1.00 10.13 H new ATOM 0 HB THR A 97 -0.313 0.473 1.177 1.00 42.54 H new ATOM 0 HG1 THR A 97 -0.948 2.295 0.173 1.00 44.21 H new ATOM 0 HG21 THR A 97 -1.530 -0.394 -0.796 1.00 64.00 H new ATOM 0 HG22 THR A 97 -1.659 -1.484 0.604 1.00 64.00 H new ATOM 0 HG23 THR A 97 -3.031 -0.442 0.158 1.00 64.00 H new ATOM 1546 N GLU A 98 -2.394 -1.817 3.172 1.00 52.51 N ATOM 1547 CA GLU A 98 -2.114 -3.197 3.597 1.00 74.24 C ATOM 1548 C GLU A 98 -2.603 -4.155 2.500 1.00 53.44 C ATOM 1549 O GLU A 98 -3.742 -4.046 2.034 1.00 43.43 O ATOM 1550 CB GLU A 98 -2.800 -3.537 4.944 1.00 5.50 C ATOM 1551 CG GLU A 98 -2.530 -4.970 5.468 1.00 23.33 C ATOM 1552 CD GLU A 98 -3.462 -5.374 6.627 1.00 32.04 C ATOM 1553 OE1 GLU A 98 -3.297 -4.852 7.749 1.00 54.25 O ATOM 1554 OE2 GLU A 98 -4.374 -6.208 6.420 1.00 24.52 O ATOM 0 H GLU A 98 -3.336 -1.695 2.799 1.00 52.51 H new ATOM 0 HA GLU A 98 -1.040 -3.305 3.748 1.00 74.24 H new ATOM 0 HB2 GLU A 98 -2.467 -2.822 5.696 1.00 5.50 H new ATOM 0 HB3 GLU A 98 -3.876 -3.403 4.832 1.00 5.50 H new ATOM 0 HG2 GLU A 98 -2.650 -5.679 4.649 1.00 23.33 H new ATOM 0 HG3 GLU A 98 -1.494 -5.040 5.801 1.00 23.33 H new ATOM 1561 N LEU A 99 -1.722 -5.063 2.081 1.00 42.00 N ATOM 1562 CA LEU A 99 -2.019 -6.108 1.095 1.00 24.23 C ATOM 1563 C LEU A 99 -2.034 -7.460 1.835 1.00 14.24 C ATOM 1564 O LEU A 99 -1.157 -7.690 2.662 1.00 25.51 O ATOM 1565 CB LEU A 99 -0.933 -6.091 -0.022 1.00 31.12 C ATOM 1566 CG LEU A 99 -0.669 -4.715 -0.718 1.00 35.13 C ATOM 1567 CD1 LEU A 99 0.472 -4.818 -1.757 1.00 51.44 C ATOM 1568 CD2 LEU A 99 -1.953 -4.149 -1.352 1.00 3.41 C ATOM 0 H LEU A 99 -0.762 -5.095 2.423 1.00 42.00 H new ATOM 0 HA LEU A 99 -2.987 -5.941 0.622 1.00 24.23 H new ATOM 0 HB2 LEU A 99 0.005 -6.441 0.409 1.00 31.12 H new ATOM 0 HB3 LEU A 99 -1.220 -6.811 -0.788 1.00 31.12 H new ATOM 0 HG LEU A 99 -0.349 -4.015 0.054 1.00 35.13 H new ATOM 0 HD11 LEU A 99 0.630 -3.845 -2.222 1.00 51.44 H new ATOM 0 HD12 LEU A 99 1.389 -5.136 -1.260 1.00 51.44 H new ATOM 0 HD13 LEU A 99 0.203 -5.546 -2.522 1.00 51.44 H new ATOM 0 HD21 LEU A 99 -1.733 -3.193 -1.827 1.00 3.41 H new ATOM 0 HD22 LEU A 99 -2.328 -4.848 -2.100 1.00 3.41 H new ATOM 0 HD23 LEU A 99 -2.708 -4.005 -0.579 1.00 3.41 H new ATOM 1580 N LEU A 100 -3.032 -8.321 1.562 1.00 43.23 N ATOM 1581 CA LEU A 100 -3.156 -9.654 2.208 1.00 11.12 C ATOM 1582 C LEU A 100 -3.459 -10.710 1.127 1.00 1.44 C ATOM 1583 O LEU A 100 -4.494 -10.654 0.482 1.00 11.41 O ATOM 1584 CB LEU A 100 -4.268 -9.605 3.317 1.00 1.14 C ATOM 1585 CG LEU A 100 -4.417 -10.836 4.300 1.00 34.11 C ATOM 1586 CD1 LEU A 100 -5.127 -12.054 3.656 1.00 74.23 C ATOM 1587 CD2 LEU A 100 -3.048 -11.240 4.902 1.00 50.53 C ATOM 0 H LEU A 100 -3.774 -8.120 0.892 1.00 43.23 H new ATOM 0 HA LEU A 100 -2.222 -9.930 2.697 1.00 11.12 H new ATOM 0 HB2 LEU A 100 -4.090 -8.717 3.924 1.00 1.14 H new ATOM 0 HB3 LEU A 100 -5.226 -9.463 2.818 1.00 1.14 H new ATOM 0 HG LEU A 100 -5.066 -10.501 5.109 1.00 34.11 H new ATOM 0 HD11 LEU A 100 -5.196 -12.862 4.384 1.00 74.23 H new ATOM 0 HD12 LEU A 100 -6.129 -11.765 3.339 1.00 74.23 H new ATOM 0 HD13 LEU A 100 -4.556 -12.393 2.791 1.00 74.23 H new ATOM 0 HD21 LEU A 100 -3.182 -12.088 5.573 1.00 50.53 H new ATOM 0 HD22 LEU A 100 -2.365 -11.517 4.099 1.00 50.53 H new ATOM 0 HD23 LEU A 100 -2.633 -10.399 5.458 1.00 50.53 H new ATOM 1599 N LEU A 101 -2.567 -11.692 0.986 1.00 20.40 N ATOM 1600 CA LEU A 101 -2.612 -12.723 -0.062 1.00 41.44 C ATOM 1601 C LEU A 101 -2.687 -14.099 0.625 1.00 53.14 C ATOM 1602 O LEU A 101 -1.758 -14.489 1.338 1.00 44.12 O ATOM 1603 CB LEU A 101 -1.352 -12.603 -0.963 1.00 32.52 C ATOM 1604 CG LEU A 101 -1.181 -13.681 -2.083 1.00 71.10 C ATOM 1605 CD1 LEU A 101 -2.331 -13.654 -3.098 1.00 20.24 C ATOM 1606 CD2 LEU A 101 0.170 -13.519 -2.788 1.00 44.24 C ATOM 0 H LEU A 101 -1.770 -11.798 1.613 1.00 20.40 H new ATOM 0 HA LEU A 101 -3.486 -12.596 -0.700 1.00 41.44 H new ATOM 0 HB2 LEU A 101 -1.365 -11.621 -1.436 1.00 32.52 H new ATOM 0 HB3 LEU A 101 -0.471 -12.637 -0.322 1.00 32.52 H new ATOM 0 HG LEU A 101 -1.208 -14.656 -1.596 1.00 71.10 H new ATOM 0 HD11 LEU A 101 -2.166 -14.421 -3.855 1.00 20.24 H new ATOM 0 HD12 LEU A 101 -3.273 -13.847 -2.585 1.00 20.24 H new ATOM 0 HD13 LEU A 101 -2.372 -12.675 -3.576 1.00 20.24 H new ATOM 0 HD21 LEU A 101 0.269 -14.279 -3.564 1.00 44.24 H new ATOM 0 HD22 LEU A 101 0.228 -12.529 -3.240 1.00 44.24 H new ATOM 0 HD23 LEU A 101 0.975 -13.634 -2.062 1.00 44.24 H new ATOM 1618 N GLU A 102 -3.801 -14.815 0.399 1.00 11.11 N ATOM 1619 CA GLU A 102 -4.162 -16.037 1.158 1.00 73.34 C ATOM 1620 C GLU A 102 -3.265 -17.270 0.822 1.00 52.22 C ATOM 1621 O GLU A 102 -2.702 -17.350 -0.273 1.00 44.02 O ATOM 1622 CB GLU A 102 -5.645 -16.381 0.885 1.00 52.52 C ATOM 1623 CG GLU A 102 -6.640 -15.271 1.263 1.00 23.31 C ATOM 1624 CD GLU A 102 -8.084 -15.619 0.858 1.00 41.42 C ATOM 1625 OE1 GLU A 102 -8.724 -16.447 1.553 1.00 73.41 O ATOM 1626 OE2 GLU A 102 -8.586 -15.074 -0.156 1.00 34.01 O ATOM 0 H GLU A 102 -4.483 -14.566 -0.317 1.00 11.11 H new ATOM 0 HA GLU A 102 -3.997 -15.817 2.213 1.00 73.34 H new ATOM 0 HB2 GLU A 102 -5.762 -16.610 -0.174 1.00 52.52 H new ATOM 0 HB3 GLU A 102 -5.902 -17.285 1.437 1.00 52.52 H new ATOM 0 HG2 GLU A 102 -6.598 -15.099 2.339 1.00 23.31 H new ATOM 0 HG3 GLU A 102 -6.344 -14.340 0.780 1.00 23.31 H new ATOM 1633 N PRO A 103 -3.122 -18.248 1.793 1.00 10.13 N ATOM 1634 CA PRO A 103 -2.481 -19.567 1.545 1.00 42.14 C ATOM 1635 C PRO A 103 -3.331 -20.466 0.618 1.00 14.20 C ATOM 1636 O PRO A 103 -4.470 -20.821 0.964 1.00 72.04 O ATOM 1637 CB PRO A 103 -2.351 -20.195 2.973 1.00 5.41 C ATOM 1638 CG PRO A 103 -2.585 -19.062 3.928 1.00 12.53 C ATOM 1639 CD PRO A 103 -3.538 -18.133 3.215 1.00 15.21 C ATOM 0 HA PRO A 103 -1.524 -19.465 1.034 1.00 42.14 H new ATOM 0 HB2 PRO A 103 -3.081 -20.991 3.120 1.00 5.41 H new ATOM 0 HB3 PRO A 103 -1.365 -20.636 3.120 1.00 5.41 H new ATOM 0 HG2 PRO A 103 -3.011 -19.419 4.866 1.00 12.53 H new ATOM 0 HG3 PRO A 103 -1.652 -18.556 4.174 1.00 12.53 H new ATOM 0 HD2 PRO A 103 -4.576 -18.434 3.357 1.00 15.21 H new ATOM 0 HD3 PRO A 103 -3.451 -17.109 3.579 1.00 15.21 H new ATOM 1647 N GLY A 104 -2.777 -20.814 -0.558 1.00 14.13 N ATOM 1648 CA GLY A 104 -3.456 -21.676 -1.529 1.00 71.41 C ATOM 1649 C GLY A 104 -4.362 -20.879 -2.456 1.00 40.43 C ATOM 1650 O GLY A 104 -4.174 -20.888 -3.679 1.00 33.01 O ATOM 0 H GLY A 104 -1.852 -20.505 -0.856 1.00 14.13 H new ATOM 0 HA2 GLY A 104 -2.714 -22.213 -2.120 1.00 71.41 H new ATOM 0 HA3 GLY A 104 -4.045 -22.425 -1.000 1.00 71.41 H new ATOM 1654 N ASN A 105 -5.348 -20.188 -1.860 1.00 32.41 N ATOM 1655 CA ASN A 105 -6.249 -19.279 -2.584 1.00 55.32 C ATOM 1656 C ASN A 105 -5.468 -18.020 -2.998 1.00 52.12 C ATOM 1657 O ASN A 105 -5.216 -17.137 -2.174 1.00 53.13 O ATOM 1658 CB ASN A 105 -7.470 -18.896 -1.698 1.00 32.44 C ATOM 1659 CG ASN A 105 -8.261 -20.114 -1.202 1.00 72.53 C ATOM 1660 OD1 ASN A 105 -7.963 -20.679 -0.146 1.00 0.31 O ATOM 1661 ND2 ASN A 105 -9.272 -20.534 -1.947 1.00 11.24 N ATOM 0 H ASN A 105 -5.542 -20.245 -0.860 1.00 32.41 H new ATOM 0 HA ASN A 105 -6.627 -19.781 -3.475 1.00 55.32 H new ATOM 0 HB2 ASN A 105 -7.122 -18.322 -0.839 1.00 32.44 H new ATOM 0 HB3 ASN A 105 -8.135 -18.246 -2.267 1.00 32.44 H new ATOM 0 HD21 ASN A 105 -9.823 -21.340 -1.652 1.00 11.24 H new ATOM 0 HD22 ASN A 105 -9.500 -20.051 -2.816 1.00 11.24 H new ATOM 1668 N SER A 106 -5.036 -17.973 -4.265 1.00 0.13 N ATOM 1669 CA SER A 106 -4.282 -16.832 -4.807 1.00 33.20 C ATOM 1670 C SER A 106 -5.237 -15.645 -5.063 1.00 35.03 C ATOM 1671 O SER A 106 -5.783 -15.480 -6.160 1.00 0.43 O ATOM 1672 CB SER A 106 -3.521 -17.243 -6.092 1.00 32.54 C ATOM 1673 OG SER A 106 -4.394 -17.772 -7.076 1.00 34.34 O ATOM 0 H SER A 106 -5.197 -18.720 -4.941 1.00 0.13 H new ATOM 0 HA SER A 106 -3.537 -16.515 -4.077 1.00 33.20 H new ATOM 0 HB2 SER A 106 -2.999 -16.376 -6.498 1.00 32.54 H new ATOM 0 HB3 SER A 106 -2.762 -17.985 -5.843 1.00 32.54 H new ATOM 0 HG SER A 106 -5.213 -17.235 -7.109 1.00 34.34 H new ATOM 1679 N GLU A 107 -5.500 -14.874 -4.001 1.00 30.21 N ATOM 1680 CA GLU A 107 -6.317 -13.660 -4.065 1.00 64.31 C ATOM 1681 C GLU A 107 -5.802 -12.661 -3.016 1.00 32.02 C ATOM 1682 O GLU A 107 -5.449 -13.063 -1.897 1.00 5.23 O ATOM 1683 CB GLU A 107 -7.806 -14.024 -3.835 1.00 2.21 C ATOM 1684 CG GLU A 107 -8.778 -12.844 -3.989 1.00 74.11 C ATOM 1685 CD GLU A 107 -10.253 -13.272 -4.039 1.00 44.41 C ATOM 1686 OE1 GLU A 107 -10.733 -13.643 -5.131 1.00 14.25 O ATOM 1687 OE2 GLU A 107 -10.930 -13.262 -2.990 1.00 52.41 O ATOM 0 H GLU A 107 -5.148 -15.079 -3.066 1.00 30.21 H new ATOM 0 HA GLU A 107 -6.241 -13.195 -5.048 1.00 64.31 H new ATOM 0 HB2 GLU A 107 -8.089 -14.807 -4.539 1.00 2.21 H new ATOM 0 HB3 GLU A 107 -7.915 -14.441 -2.834 1.00 2.21 H new ATOM 0 HG2 GLU A 107 -8.635 -12.154 -3.157 1.00 74.11 H new ATOM 0 HG3 GLU A 107 -8.534 -12.299 -4.901 1.00 74.11 H new ATOM 1694 N MET A 108 -5.746 -11.371 -3.381 1.00 11.13 N ATOM 1695 CA MET A 108 -5.152 -10.310 -2.545 1.00 1.54 C ATOM 1696 C MET A 108 -6.209 -9.257 -2.176 1.00 61.24 C ATOM 1697 O MET A 108 -6.992 -8.837 -3.025 1.00 12.12 O ATOM 1698 CB MET A 108 -3.967 -9.646 -3.295 1.00 33.42 C ATOM 1699 CG MET A 108 -3.219 -8.563 -2.492 1.00 2.14 C ATOM 1700 SD MET A 108 -1.855 -7.817 -3.412 1.00 44.24 S ATOM 1701 CE MET A 108 -0.814 -9.237 -3.751 1.00 45.21 C ATOM 0 H MET A 108 -6.113 -11.030 -4.269 1.00 11.13 H new ATOM 0 HA MET A 108 -4.780 -10.758 -1.624 1.00 1.54 H new ATOM 0 HB2 MET A 108 -3.257 -10.421 -3.582 1.00 33.42 H new ATOM 0 HB3 MET A 108 -4.342 -9.201 -4.217 1.00 33.42 H new ATOM 0 HG2 MET A 108 -3.923 -7.783 -2.201 1.00 2.14 H new ATOM 0 HG3 MET A 108 -2.832 -9.003 -1.573 1.00 2.14 H new ATOM 0 HE1 MET A 108 0.228 -8.977 -3.564 1.00 45.21 H new ATOM 0 HE2 MET A 108 -1.104 -10.064 -3.103 1.00 45.21 H new ATOM 0 HE3 MET A 108 -0.932 -9.534 -4.793 1.00 45.21 H new ATOM 1711 N GLN A 109 -6.222 -8.841 -0.898 1.00 61.33 N ATOM 1712 CA GLN A 109 -7.040 -7.732 -0.406 1.00 34.15 C ATOM 1713 C GLN A 109 -6.159 -6.481 -0.358 1.00 74.22 C ATOM 1714 O GLN A 109 -5.141 -6.463 0.341 1.00 70.14 O ATOM 1715 CB GLN A 109 -7.601 -8.025 1.016 1.00 71.42 C ATOM 1716 CG GLN A 109 -8.593 -9.194 1.090 1.00 63.42 C ATOM 1717 CD GLN A 109 -9.203 -9.410 2.484 1.00 23.44 C ATOM 1718 OE1 GLN A 109 -10.360 -9.833 2.605 1.00 53.42 O ATOM 1719 NE2 GLN A 109 -8.436 -9.162 3.548 1.00 41.42 N ATOM 0 H GLN A 109 -5.654 -9.276 -0.171 1.00 61.33 H new ATOM 0 HA GLN A 109 -7.890 -7.590 -1.074 1.00 34.15 H new ATOM 0 HB2 GLN A 109 -6.766 -8.233 1.685 1.00 71.42 H new ATOM 0 HB3 GLN A 109 -8.092 -7.126 1.390 1.00 71.42 H new ATOM 0 HG2 GLN A 109 -9.398 -9.020 0.376 1.00 63.42 H new ATOM 0 HG3 GLN A 109 -8.085 -10.108 0.781 1.00 63.42 H new ATOM 0 HE21 GLN A 109 -7.486 -8.814 3.422 1.00 41.42 H new ATOM 0 HE22 GLN A 109 -8.800 -9.321 4.487 1.00 41.42 H new ATOM 1728 N ILE A 110 -6.550 -5.464 -1.118 1.00 14.24 N ATOM 1729 CA ILE A 110 -5.900 -4.154 -1.132 1.00 1.03 C ATOM 1730 C ILE A 110 -6.771 -3.241 -0.253 1.00 62.40 C ATOM 1731 O ILE A 110 -7.917 -2.959 -0.599 1.00 70.30 O ATOM 1732 CB ILE A 110 -5.788 -3.541 -2.604 1.00 11.35 C ATOM 1733 CG1 ILE A 110 -4.959 -4.458 -3.582 1.00 33.55 C ATOM 1734 CG2 ILE A 110 -5.188 -2.107 -2.567 1.00 2.25 C ATOM 1735 CD1 ILE A 110 -5.651 -5.741 -4.047 1.00 72.43 C ATOM 0 H ILE A 110 -7.344 -5.526 -1.755 1.00 14.24 H new ATOM 0 HA ILE A 110 -4.878 -4.242 -0.763 1.00 1.03 H new ATOM 0 HB ILE A 110 -6.804 -3.489 -2.995 1.00 11.35 H new ATOM 0 HG12 ILE A 110 -4.695 -3.872 -4.462 1.00 33.55 H new ATOM 0 HG13 ILE A 110 -4.026 -4.730 -3.089 1.00 33.55 H new ATOM 0 HG21 ILE A 110 -5.123 -1.714 -3.581 1.00 2.25 H new ATOM 0 HG22 ILE A 110 -5.828 -1.460 -1.967 1.00 2.25 H new ATOM 0 HG23 ILE A 110 -4.192 -2.141 -2.126 1.00 2.25 H new ATOM 0 HD11 ILE A 110 -4.988 -6.291 -4.715 1.00 72.43 H new ATOM 0 HD12 ILE A 110 -5.890 -6.360 -3.182 1.00 72.43 H new ATOM 0 HD13 ILE A 110 -6.570 -5.488 -4.576 1.00 72.43 H new ATOM 1747 N SER A 111 -6.237 -2.812 0.892 1.00 74.53 N ATOM 1748 CA SER A 111 -6.957 -1.942 1.832 1.00 1.12 C ATOM 1749 C SER A 111 -6.150 -0.655 2.012 1.00 3.42 C ATOM 1750 O SER A 111 -5.070 -0.661 2.606 1.00 51.53 O ATOM 1751 CB SER A 111 -7.191 -2.690 3.176 1.00 11.43 C ATOM 1752 OG SER A 111 -5.989 -3.224 3.705 1.00 11.31 O ATOM 0 H SER A 111 -5.294 -3.056 1.196 1.00 74.53 H new ATOM 0 HA SER A 111 -7.941 -1.679 1.444 1.00 1.12 H new ATOM 0 HB2 SER A 111 -7.632 -2.005 3.900 1.00 11.43 H new ATOM 0 HB3 SER A 111 -7.908 -3.496 3.022 1.00 11.43 H new ATOM 0 HG SER A 111 -5.367 -3.418 2.973 1.00 11.31 H new ATOM 1758 N VAL A 112 -6.668 0.432 1.437 1.00 44.21 N ATOM 1759 CA VAL A 112 -6.040 1.754 1.478 1.00 43.23 C ATOM 1760 C VAL A 112 -6.860 2.669 2.401 1.00 72.01 C ATOM 1761 O VAL A 112 -8.087 2.545 2.497 1.00 72.23 O ATOM 1762 CB VAL A 112 -5.947 2.397 0.039 1.00 44.34 C ATOM 1763 CG1 VAL A 112 -5.146 3.723 0.052 1.00 23.14 C ATOM 1764 CG2 VAL A 112 -5.350 1.402 -0.980 1.00 12.01 C ATOM 0 H VAL A 112 -7.548 0.418 0.922 1.00 44.21 H new ATOM 0 HA VAL A 112 -5.025 1.642 1.859 1.00 43.23 H new ATOM 0 HB VAL A 112 -6.964 2.633 -0.274 1.00 44.34 H new ATOM 0 HG11 VAL A 112 -5.105 4.133 -0.957 1.00 23.14 H new ATOM 0 HG12 VAL A 112 -5.635 4.437 0.715 1.00 23.14 H new ATOM 0 HG13 VAL A 112 -4.133 3.533 0.408 1.00 23.14 H new ATOM 0 HG21 VAL A 112 -5.299 1.873 -1.961 1.00 12.01 H new ATOM 0 HG22 VAL A 112 -4.348 1.114 -0.663 1.00 12.01 H new ATOM 0 HG23 VAL A 112 -5.982 0.515 -1.036 1.00 12.01 H new ATOM 1774 N LYS A 113 -6.159 3.550 3.105 1.00 20.32 N ATOM 1775 CA LYS A 113 -6.750 4.639 3.883 1.00 32.43 C ATOM 1776 C LYS A 113 -5.801 5.833 3.835 1.00 61.00 C ATOM 1777 O LYS A 113 -4.626 5.680 3.468 1.00 63.52 O ATOM 1778 CB LYS A 113 -7.055 4.196 5.338 1.00 51.41 C ATOM 1779 CG LYS A 113 -5.841 3.713 6.150 1.00 44.03 C ATOM 1780 CD LYS A 113 -6.221 3.215 7.568 1.00 22.41 C ATOM 1781 CE LYS A 113 -7.179 2.013 7.551 1.00 52.24 C ATOM 1782 NZ LYS A 113 -7.448 1.491 8.924 1.00 3.20 N ATOM 0 H LYS A 113 -5.140 3.529 3.154 1.00 20.32 H new ATOM 0 HA LYS A 113 -7.708 4.925 3.450 1.00 32.43 H new ATOM 0 HB2 LYS A 113 -7.514 5.032 5.866 1.00 51.41 H new ATOM 0 HB3 LYS A 113 -7.793 3.394 5.308 1.00 51.41 H new ATOM 0 HG2 LYS A 113 -5.346 2.907 5.608 1.00 44.03 H new ATOM 0 HG3 LYS A 113 -5.122 4.527 6.237 1.00 44.03 H new ATOM 0 HD2 LYS A 113 -5.313 2.940 8.105 1.00 22.41 H new ATOM 0 HD3 LYS A 113 -6.684 4.032 8.121 1.00 22.41 H new ATOM 0 HE2 LYS A 113 -8.119 2.306 7.084 1.00 52.24 H new ATOM 0 HE3 LYS A 113 -6.753 1.219 6.938 1.00 52.24 H new ATOM 0 HZ1 LYS A 113 -6.951 0.587 9.055 1.00 3.20 H new ATOM 0 HZ2 LYS A 113 -7.110 2.177 9.629 1.00 3.20 H new ATOM 0 HZ3 LYS A 113 -8.470 1.345 9.046 1.00 3.20 H new ATOM 1796 N GLN A 114 -6.300 7.021 4.183 1.00 13.53 N ATOM 1797 CA GLN A 114 -5.487 8.240 4.180 1.00 35.12 C ATOM 1798 C GLN A 114 -5.980 9.237 5.236 1.00 60.34 C ATOM 1799 O GLN A 114 -7.161 9.248 5.598 1.00 54.31 O ATOM 1800 CB GLN A 114 -5.422 8.872 2.763 1.00 43.32 C ATOM 1801 CG GLN A 114 -6.779 9.263 2.152 1.00 4.21 C ATOM 1802 CD GLN A 114 -6.647 9.924 0.775 1.00 54.10 C ATOM 1803 OE1 GLN A 114 -5.645 10.560 0.468 1.00 24.14 O ATOM 1804 NE2 GLN A 114 -7.679 9.831 -0.041 1.00 4.11 N ATOM 0 H GLN A 114 -7.268 7.165 4.472 1.00 13.53 H new ATOM 0 HA GLN A 114 -4.468 7.965 4.451 1.00 35.12 H new ATOM 0 HB2 GLN A 114 -4.794 9.761 2.809 1.00 43.32 H new ATOM 0 HB3 GLN A 114 -4.930 8.168 2.092 1.00 43.32 H new ATOM 0 HG2 GLN A 114 -7.402 8.373 2.063 1.00 4.21 H new ATOM 0 HG3 GLN A 114 -7.293 9.945 2.829 1.00 4.21 H new ATOM 0 HE21 GLN A 114 -8.502 9.296 0.236 1.00 4.11 H new ATOM 0 HE22 GLN A 114 -7.654 10.294 -0.950 1.00 4.11 H new ATOM 1813 N ASN A 115 -5.041 10.061 5.723 1.00 55.01 N ATOM 1814 CA ASN A 115 -5.263 10.994 6.849 1.00 43.22 C ATOM 1815 C ASN A 115 -6.137 12.168 6.395 1.00 25.14 C ATOM 1816 O ASN A 115 -7.214 12.395 6.951 1.00 75.14 O ATOM 1817 CB ASN A 115 -3.875 11.426 7.400 1.00 52.10 C ATOM 1818 CG ASN A 115 -3.871 12.430 8.565 1.00 64.43 C ATOM 1819 OD1 ASN A 115 -4.699 13.334 8.668 1.00 62.52 O ATOM 1820 ND2 ASN A 115 -2.903 12.285 9.452 1.00 72.41 N ATOM 0 H ASN A 115 -4.094 10.103 5.346 1.00 55.01 H new ATOM 0 HA ASN A 115 -5.809 10.516 7.662 1.00 43.22 H new ATOM 0 HB2 ASN A 115 -3.344 10.530 7.722 1.00 52.10 H new ATOM 0 HB3 ASN A 115 -3.303 11.857 6.578 1.00 52.10 H new ATOM 0 HD21 ASN A 115 -2.833 12.929 10.240 1.00 72.41 H new ATOM 0 HD22 ASN A 115 -2.226 11.529 9.349 1.00 72.41 H new ATOM 1827 N GLU A 116 -5.674 12.907 5.384 1.00 75.33 N ATOM 1828 CA GLU A 116 -6.506 13.907 4.698 1.00 75.53 C ATOM 1829 C GLU A 116 -7.039 13.270 3.415 1.00 74.55 C ATOM 1830 O GLU A 116 -6.285 13.084 2.447 1.00 13.10 O ATOM 1831 CB GLU A 116 -5.690 15.175 4.368 1.00 4.40 C ATOM 1832 CG GLU A 116 -5.121 15.908 5.589 1.00 31.53 C ATOM 1833 CD GLU A 116 -4.296 17.143 5.203 1.00 24.20 C ATOM 1834 OE1 GLU A 116 -3.276 16.986 4.491 1.00 2.44 O ATOM 1835 OE2 GLU A 116 -4.661 18.274 5.599 1.00 31.33 O ATOM 0 H GLU A 116 -4.724 12.834 5.019 1.00 75.33 H new ATOM 0 HA GLU A 116 -7.329 14.211 5.345 1.00 75.53 H new ATOM 0 HB2 GLU A 116 -4.866 14.899 3.711 1.00 4.40 H new ATOM 0 HB3 GLU A 116 -6.325 15.864 3.811 1.00 4.40 H new ATOM 0 HG2 GLU A 116 -5.940 16.212 6.240 1.00 31.53 H new ATOM 0 HG3 GLU A 116 -4.496 15.222 6.161 1.00 31.53 H new ATOM 1842 N ALA A 117 -8.328 12.924 3.423 1.00 73.24 N ATOM 1843 CA ALA A 117 -8.981 12.265 2.296 1.00 74.03 C ATOM 1844 C ALA A 117 -9.311 13.264 1.181 1.00 10.35 C ATOM 1845 O ALA A 117 -10.106 14.188 1.384 1.00 43.24 O ATOM 1846 CB ALA A 117 -10.255 11.556 2.789 1.00 75.42 C ATOM 0 H ALA A 117 -8.948 13.095 4.215 1.00 73.24 H new ATOM 0 HA ALA A 117 -8.297 11.527 1.877 1.00 74.03 H new ATOM 0 HB1 ALA A 117 -10.745 11.063 1.949 1.00 75.42 H new ATOM 0 HB2 ALA A 117 -9.990 10.813 3.542 1.00 75.42 H new ATOM 0 HB3 ALA A 117 -10.934 12.289 3.226 1.00 75.42 H new ATOM 1852 N ARG A 118 -8.658 13.104 0.013 1.00 55.43 N ATOM 1853 CA ARG A 118 -9.138 13.678 -1.246 1.00 42.14 C ATOM 1854 C ARG A 118 -9.604 12.506 -2.122 1.00 51.34 C ATOM 1855 O ARG A 118 -8.946 11.457 -2.148 1.00 62.42 O ATOM 1856 CB ARG A 118 -8.055 14.525 -1.992 1.00 31.15 C ATOM 1857 CG ARG A 118 -7.645 15.873 -1.325 1.00 3.33 C ATOM 1858 CD ARG A 118 -6.761 15.728 -0.060 1.00 11.42 C ATOM 1859 NE ARG A 118 -6.327 17.041 0.459 1.00 25.30 N ATOM 1860 CZ ARG A 118 -5.256 17.272 1.248 1.00 22.45 C ATOM 1861 NH1 ARG A 118 -4.463 16.286 1.660 1.00 14.45 N ATOM 1862 NH2 ARG A 118 -4.969 18.513 1.605 1.00 12.25 N ATOM 0 H ARG A 118 -7.790 12.576 -0.078 1.00 55.43 H new ATOM 0 HA ARG A 118 -9.950 14.373 -1.033 1.00 42.14 H new ATOM 0 HB2 ARG A 118 -7.160 13.913 -2.103 1.00 31.15 H new ATOM 0 HB3 ARG A 118 -8.421 14.739 -2.996 1.00 31.15 H new ATOM 0 HG2 ARG A 118 -7.110 16.477 -2.058 1.00 3.33 H new ATOM 0 HG3 ARG A 118 -8.549 16.421 -1.059 1.00 3.33 H new ATOM 0 HD2 ARG A 118 -7.317 15.197 0.713 1.00 11.42 H new ATOM 0 HD3 ARG A 118 -5.886 15.123 -0.296 1.00 11.42 H new ATOM 0 HE ARG A 118 -6.890 17.850 0.196 1.00 25.30 H new ATOM 0 HH11 ARG A 118 -4.657 15.325 1.380 1.00 14.45 H new ATOM 0 HH12 ARG A 118 -3.661 16.492 2.256 1.00 14.45 H new ATOM 0 HH21 ARG A 118 -5.555 19.284 1.284 1.00 12.25 H new ATOM 0 HH22 ARG A 118 -4.162 18.699 2.201 1.00 12.25 H new ATOM 1876 N THR A 119 -10.746 12.676 -2.805 1.00 31.43 N ATOM 1877 CA THR A 119 -11.249 11.710 -3.794 1.00 14.21 C ATOM 1878 C THR A 119 -10.202 11.518 -4.912 1.00 54.30 C ATOM 1879 O THR A 119 -9.902 10.391 -5.312 1.00 2.35 O ATOM 1880 CB THR A 119 -12.614 12.215 -4.382 1.00 24.04 C ATOM 1881 OG1 THR A 119 -13.572 12.359 -3.312 1.00 52.10 O ATOM 1882 CG2 THR A 119 -13.199 11.286 -5.464 1.00 14.32 C ATOM 0 H THR A 119 -11.349 13.490 -2.687 1.00 31.43 H new ATOM 0 HA THR A 119 -11.419 10.747 -3.313 1.00 14.21 H new ATOM 0 HB THR A 119 -12.412 13.172 -4.863 1.00 24.04 H new ATOM 0 HG1 THR A 119 -14.425 12.676 -3.677 1.00 52.10 H new ATOM 0 HG21 THR A 119 -14.142 11.697 -5.825 1.00 14.32 H new ATOM 0 HG22 THR A 119 -12.496 11.206 -6.294 1.00 14.32 H new ATOM 0 HG23 THR A 119 -13.373 10.297 -5.039 1.00 14.32 H new ATOM 1890 N GLU A 120 -9.615 12.650 -5.331 1.00 15.33 N ATOM 1891 CA GLU A 120 -8.587 12.715 -6.374 1.00 51.51 C ATOM 1892 C GLU A 120 -7.332 11.899 -5.991 1.00 13.34 C ATOM 1893 O GLU A 120 -6.871 11.065 -6.781 1.00 51.42 O ATOM 1894 CB GLU A 120 -8.204 14.196 -6.611 1.00 3.42 C ATOM 1895 CG GLU A 120 -7.265 14.450 -7.805 1.00 45.14 C ATOM 1896 CD GLU A 120 -7.915 14.135 -9.161 1.00 22.03 C ATOM 1897 OE1 GLU A 120 -7.810 12.980 -9.630 1.00 50.35 O ATOM 1898 OE2 GLU A 120 -8.559 15.030 -9.756 1.00 42.31 O ATOM 0 H GLU A 120 -9.849 13.564 -4.944 1.00 15.33 H new ATOM 0 HA GLU A 120 -8.993 12.280 -7.287 1.00 51.51 H new ATOM 0 HB2 GLU A 120 -9.118 14.771 -6.760 1.00 3.42 H new ATOM 0 HB3 GLU A 120 -7.729 14.580 -5.708 1.00 3.42 H new ATOM 0 HG2 GLU A 120 -6.948 15.493 -7.795 1.00 45.14 H new ATOM 0 HG3 GLU A 120 -6.367 13.842 -7.689 1.00 45.14 H new ATOM 1905 N THR A 121 -6.808 12.141 -4.767 1.00 51.33 N ATOM 1906 CA THR A 121 -5.572 11.497 -4.282 1.00 63.21 C ATOM 1907 C THR A 121 -5.753 9.984 -4.147 1.00 34.43 C ATOM 1908 O THR A 121 -4.869 9.222 -4.548 1.00 43.31 O ATOM 1909 CB THR A 121 -5.094 12.083 -2.911 1.00 23.22 C ATOM 1910 OG1 THR A 121 -6.143 12.012 -1.924 1.00 64.35 O ATOM 1911 CG2 THR A 121 -4.621 13.533 -3.050 1.00 42.03 C ATOM 0 H THR A 121 -7.228 12.783 -4.095 1.00 51.33 H new ATOM 0 HA THR A 121 -4.807 11.707 -5.029 1.00 63.21 H new ATOM 0 HB THR A 121 -4.252 11.474 -2.583 1.00 23.22 H new ATOM 0 HG1 THR A 121 -5.842 11.470 -1.165 1.00 64.35 H new ATOM 0 HG21 THR A 121 -4.297 13.905 -2.078 1.00 42.03 H new ATOM 0 HG22 THR A 121 -3.788 13.578 -3.752 1.00 42.03 H new ATOM 0 HG23 THR A 121 -5.441 14.149 -3.420 1.00 42.03 H new ATOM 1919 N LEU A 122 -6.914 9.572 -3.588 1.00 23.04 N ATOM 1920 CA LEU A 122 -7.234 8.159 -3.364 1.00 45.15 C ATOM 1921 C LEU A 122 -7.281 7.399 -4.701 1.00 11.45 C ATOM 1922 O LEU A 122 -6.548 6.431 -4.877 1.00 55.14 O ATOM 1923 CB LEU A 122 -8.581 7.998 -2.612 1.00 45.32 C ATOM 1924 CG LEU A 122 -8.933 6.538 -2.171 1.00 50.44 C ATOM 1925 CD1 LEU A 122 -7.904 5.976 -1.170 1.00 54.22 C ATOM 1926 CD2 LEU A 122 -10.365 6.437 -1.617 1.00 62.42 C ATOM 0 H LEU A 122 -7.647 10.213 -3.284 1.00 23.04 H new ATOM 0 HA LEU A 122 -6.446 7.735 -2.742 1.00 45.15 H new ATOM 0 HB2 LEU A 122 -8.561 8.632 -1.726 1.00 45.32 H new ATOM 0 HB3 LEU A 122 -9.382 8.369 -3.252 1.00 45.32 H new ATOM 0 HG LEU A 122 -8.886 5.919 -3.067 1.00 50.44 H new ATOM 0 HD11 LEU A 122 -8.186 4.961 -0.890 1.00 54.22 H new ATOM 0 HD12 LEU A 122 -6.917 5.964 -1.631 1.00 54.22 H new ATOM 0 HD13 LEU A 122 -7.881 6.605 -0.280 1.00 54.22 H new ATOM 0 HD21 LEU A 122 -10.569 5.408 -1.322 1.00 62.42 H new ATOM 0 HD22 LEU A 122 -10.467 7.090 -0.750 1.00 62.42 H new ATOM 0 HD23 LEU A 122 -11.075 6.742 -2.386 1.00 62.42 H new ATOM 1938 N ASN A 123 -8.106 7.900 -5.653 1.00 74.12 N ATOM 1939 CA ASN A 123 -8.338 7.248 -6.970 1.00 41.53 C ATOM 1940 C ASN A 123 -7.022 7.083 -7.747 1.00 0.25 C ATOM 1941 O ASN A 123 -6.748 6.018 -8.317 1.00 14.24 O ATOM 1942 CB ASN A 123 -9.337 8.081 -7.821 1.00 30.52 C ATOM 1943 CG ASN A 123 -10.762 8.088 -7.266 1.00 53.14 C ATOM 1944 OD1 ASN A 123 -11.215 7.131 -6.634 1.00 71.03 O ATOM 1945 ND2 ASN A 123 -11.484 9.166 -7.504 1.00 1.22 N ATOM 0 H ASN A 123 -8.630 8.767 -5.532 1.00 74.12 H new ATOM 0 HA ASN A 123 -8.759 6.261 -6.779 1.00 41.53 H new ATOM 0 HB2 ASN A 123 -8.977 9.108 -7.886 1.00 30.52 H new ATOM 0 HB3 ASN A 123 -9.354 7.685 -8.836 1.00 30.52 H new ATOM 0 HD21 ASN A 123 -12.443 9.223 -7.162 1.00 1.22 H new ATOM 0 HD22 ASN A 123 -11.083 9.943 -8.030 1.00 1.22 H new ATOM 1952 N SER A 124 -6.217 8.153 -7.732 1.00 73.21 N ATOM 1953 CA SER A 124 -4.925 8.200 -8.416 1.00 34.44 C ATOM 1954 C SER A 124 -3.939 7.197 -7.792 1.00 23.30 C ATOM 1955 O SER A 124 -3.167 6.549 -8.504 1.00 0.00 O ATOM 1956 CB SER A 124 -4.360 9.629 -8.354 1.00 21.22 C ATOM 1957 OG SER A 124 -3.182 9.751 -9.137 1.00 71.15 O ATOM 0 H SER A 124 -6.449 9.016 -7.240 1.00 73.21 H new ATOM 0 HA SER A 124 -5.068 7.920 -9.460 1.00 34.44 H new ATOM 0 HB2 SER A 124 -5.110 10.335 -8.709 1.00 21.22 H new ATOM 0 HB3 SER A 124 -4.140 9.891 -7.319 1.00 21.22 H new ATOM 0 HG SER A 124 -2.935 10.696 -9.211 1.00 71.15 H new ATOM 1963 N PHE A 125 -4.003 7.062 -6.457 1.00 73.25 N ATOM 1964 CA PHE A 125 -3.126 6.166 -5.692 1.00 22.54 C ATOM 1965 C PHE A 125 -3.451 4.691 -6.000 1.00 23.42 C ATOM 1966 O PHE A 125 -2.541 3.880 -6.174 1.00 4.43 O ATOM 1967 CB PHE A 125 -3.256 6.468 -4.177 1.00 25.43 C ATOM 1968 CG PHE A 125 -2.251 5.731 -3.303 1.00 23.02 C ATOM 1969 CD1 PHE A 125 -0.925 6.165 -3.227 1.00 32.42 C ATOM 1970 CD2 PHE A 125 -2.615 4.601 -2.571 1.00 60.31 C ATOM 1971 CE1 PHE A 125 -0.008 5.496 -2.443 1.00 42.20 C ATOM 1972 CE2 PHE A 125 -1.693 3.935 -1.790 1.00 32.54 C ATOM 1973 CZ PHE A 125 -0.389 4.380 -1.726 1.00 42.01 C ATOM 0 H PHE A 125 -4.668 7.574 -5.878 1.00 73.25 H new ATOM 0 HA PHE A 125 -2.092 6.342 -5.989 1.00 22.54 H new ATOM 0 HB2 PHE A 125 -3.138 7.540 -4.021 1.00 25.43 H new ATOM 0 HB3 PHE A 125 -4.263 6.207 -3.852 1.00 25.43 H new ATOM 0 HD1 PHE A 125 -0.615 7.034 -3.788 1.00 32.42 H new ATOM 0 HD2 PHE A 125 -3.633 4.242 -2.616 1.00 60.31 H new ATOM 0 HE1 PHE A 125 1.012 5.847 -2.390 1.00 42.20 H new ATOM 0 HE2 PHE A 125 -1.993 3.063 -1.227 1.00 32.54 H new ATOM 0 HZ PHE A 125 0.332 3.856 -1.116 1.00 42.01 H new ATOM 1983 N ILE A 126 -4.764 4.385 -6.097 1.00 11.23 N ATOM 1984 CA ILE A 126 -5.272 3.027 -6.372 1.00 41.15 C ATOM 1985 C ILE A 126 -4.875 2.587 -7.795 1.00 71.52 C ATOM 1986 O ILE A 126 -4.482 1.448 -7.996 1.00 53.51 O ATOM 1987 CB ILE A 126 -6.842 2.955 -6.213 1.00 44.20 C ATOM 1988 CG1 ILE A 126 -7.295 3.447 -4.803 1.00 2.04 C ATOM 1989 CG2 ILE A 126 -7.382 1.524 -6.474 1.00 32.34 C ATOM 1990 CD1 ILE A 126 -8.768 3.811 -4.719 1.00 70.52 C ATOM 0 H ILE A 126 -5.503 5.079 -5.986 1.00 11.23 H new ATOM 0 HA ILE A 126 -4.823 2.352 -5.643 1.00 41.15 H new ATOM 0 HB ILE A 126 -7.264 3.621 -6.966 1.00 44.20 H new ATOM 0 HG12 ILE A 126 -7.082 2.667 -4.072 1.00 2.04 H new ATOM 0 HG13 ILE A 126 -6.700 4.317 -4.525 1.00 2.04 H new ATOM 0 HG21 ILE A 126 -8.465 1.517 -6.355 1.00 32.34 H new ATOM 0 HG22 ILE A 126 -7.126 1.218 -7.489 1.00 32.34 H new ATOM 0 HG23 ILE A 126 -6.934 0.831 -5.762 1.00 32.34 H new ATOM 0 HD11 ILE A 126 -9.004 4.143 -3.708 1.00 70.52 H new ATOM 0 HD12 ILE A 126 -8.985 4.613 -5.424 1.00 70.52 H new ATOM 0 HD13 ILE A 126 -9.373 2.938 -4.964 1.00 70.52 H new ATOM 2002 N SER A 127 -4.966 3.517 -8.773 1.00 12.21 N ATOM 2003 CA SER A 127 -4.595 3.236 -10.174 1.00 65.12 C ATOM 2004 C SER A 127 -3.066 3.037 -10.334 1.00 40.33 C ATOM 2005 O SER A 127 -2.627 2.246 -11.179 1.00 53.43 O ATOM 2006 CB SER A 127 -5.138 4.336 -11.112 1.00 42.24 C ATOM 2007 OG SER A 127 -4.809 5.632 -10.649 1.00 71.24 O ATOM 0 H SER A 127 -5.294 4.470 -8.614 1.00 12.21 H new ATOM 0 HA SER A 127 -5.061 2.294 -10.464 1.00 65.12 H new ATOM 0 HB2 SER A 127 -4.731 4.194 -12.113 1.00 42.24 H new ATOM 0 HB3 SER A 127 -6.221 4.243 -11.192 1.00 42.24 H new ATOM 0 HG SER A 127 -4.148 5.564 -9.928 1.00 71.24 H new ATOM 2013 N VAL A 128 -2.257 3.738 -9.504 1.00 34.51 N ATOM 2014 CA VAL A 128 -0.805 3.475 -9.410 1.00 52.52 C ATOM 2015 C VAL A 128 -0.575 2.038 -8.886 1.00 4.11 C ATOM 2016 O VAL A 128 0.235 1.303 -9.447 1.00 53.13 O ATOM 2017 CB VAL A 128 -0.061 4.550 -8.515 1.00 33.53 C ATOM 2018 CG1 VAL A 128 1.404 4.147 -8.193 1.00 2.41 C ATOM 2019 CG2 VAL A 128 -0.096 5.936 -9.203 1.00 73.41 C ATOM 0 H VAL A 128 -2.586 4.486 -8.893 1.00 34.51 H new ATOM 0 HA VAL A 128 -0.373 3.561 -10.407 1.00 52.52 H new ATOM 0 HB VAL A 128 -0.595 4.600 -7.566 1.00 33.53 H new ATOM 0 HG11 VAL A 128 1.867 4.919 -7.578 1.00 2.41 H new ATOM 0 HG12 VAL A 128 1.411 3.200 -7.653 1.00 2.41 H new ATOM 0 HG13 VAL A 128 1.964 4.039 -9.122 1.00 2.41 H new ATOM 0 HG21 VAL A 128 0.419 6.666 -8.578 1.00 73.41 H new ATOM 0 HG22 VAL A 128 0.400 5.874 -10.172 1.00 73.41 H new ATOM 0 HG23 VAL A 128 -1.131 6.246 -9.345 1.00 73.41 H new ATOM 2029 N LEU A 129 -1.334 1.648 -7.834 1.00 30.12 N ATOM 2030 CA LEU A 129 -1.341 0.263 -7.311 1.00 23.32 C ATOM 2031 C LEU A 129 -1.759 -0.760 -8.399 1.00 12.42 C ATOM 2032 O LEU A 129 -1.169 -1.823 -8.478 1.00 54.25 O ATOM 2033 CB LEU A 129 -2.267 0.132 -6.063 1.00 52.32 C ATOM 2034 CG LEU A 129 -1.883 0.993 -4.815 1.00 50.41 C ATOM 2035 CD1 LEU A 129 -2.921 0.832 -3.688 1.00 24.42 C ATOM 2036 CD2 LEU A 129 -0.458 0.670 -4.307 1.00 71.53 C ATOM 0 H LEU A 129 -1.954 2.280 -7.328 1.00 30.12 H new ATOM 0 HA LEU A 129 -0.319 0.035 -7.008 1.00 23.32 H new ATOM 0 HB2 LEU A 129 -3.281 0.397 -6.361 1.00 52.32 H new ATOM 0 HB3 LEU A 129 -2.287 -0.915 -5.762 1.00 52.32 H new ATOM 0 HG LEU A 129 -1.885 2.036 -5.131 1.00 50.41 H new ATOM 0 HD11 LEU A 129 -2.628 1.442 -2.834 1.00 24.42 H new ATOM 0 HD12 LEU A 129 -3.899 1.154 -4.045 1.00 24.42 H new ATOM 0 HD13 LEU A 129 -2.972 -0.214 -3.387 1.00 24.42 H new ATOM 0 HD21 LEU A 129 -0.232 1.290 -3.440 1.00 71.53 H new ATOM 0 HD22 LEU A 129 -0.402 -0.382 -4.026 1.00 71.53 H new ATOM 0 HD23 LEU A 129 0.265 0.874 -5.097 1.00 71.53 H new ATOM 2048 N GLU A 130 -2.755 -0.418 -9.251 1.00 1.30 N ATOM 2049 CA GLU A 130 -3.227 -1.321 -10.338 1.00 71.25 C ATOM 2050 C GLU A 130 -2.089 -1.623 -11.330 1.00 12.13 C ATOM 2051 O GLU A 130 -1.922 -2.771 -11.762 1.00 71.24 O ATOM 2052 CB GLU A 130 -4.446 -0.716 -11.089 1.00 22.23 C ATOM 2053 CG GLU A 130 -5.699 -0.510 -10.218 1.00 73.53 C ATOM 2054 CD GLU A 130 -6.235 -1.811 -9.598 1.00 33.11 C ATOM 2055 OE1 GLU A 130 -6.964 -2.563 -10.299 1.00 22.43 O ATOM 2056 OE2 GLU A 130 -5.949 -2.088 -8.415 1.00 64.22 O ATOM 0 H GLU A 130 -3.249 0.474 -9.210 1.00 1.30 H new ATOM 0 HA GLU A 130 -3.544 -2.254 -9.873 1.00 71.25 H new ATOM 0 HB2 GLU A 130 -4.154 0.244 -11.514 1.00 22.23 H new ATOM 0 HB3 GLU A 130 -4.703 -1.369 -11.923 1.00 22.23 H new ATOM 0 HG2 GLU A 130 -5.465 0.194 -9.420 1.00 73.53 H new ATOM 0 HG3 GLU A 130 -6.483 -0.056 -10.824 1.00 73.53 H new ATOM 2063 N THR A 131 -1.304 -0.579 -11.661 1.00 52.40 N ATOM 2064 CA THR A 131 -0.149 -0.706 -12.551 1.00 45.34 C ATOM 2065 C THR A 131 0.962 -1.556 -11.889 1.00 73.33 C ATOM 2066 O THR A 131 1.367 -2.574 -12.447 1.00 13.33 O ATOM 2067 CB THR A 131 0.420 0.697 -12.931 1.00 43.14 C ATOM 2068 OG1 THR A 131 -0.651 1.548 -13.369 1.00 54.43 O ATOM 2069 CG2 THR A 131 1.496 0.615 -14.035 1.00 24.21 C ATOM 0 H THR A 131 -1.457 0.369 -11.317 1.00 52.40 H new ATOM 0 HA THR A 131 -0.485 -1.206 -13.459 1.00 45.34 H new ATOM 0 HB THR A 131 0.894 1.109 -12.040 1.00 43.14 H new ATOM 0 HG1 THR A 131 -1.187 1.823 -12.596 1.00 54.43 H new ATOM 0 HG21 THR A 131 1.860 1.617 -14.263 1.00 24.21 H new ATOM 0 HG22 THR A 131 2.325 -0.002 -13.690 1.00 24.21 H new ATOM 0 HG23 THR A 131 1.064 0.173 -14.932 1.00 24.21 H new ATOM 2077 N VAL A 132 1.387 -1.150 -10.662 1.00 22.35 N ATOM 2078 CA VAL A 132 2.520 -1.777 -9.941 1.00 41.02 C ATOM 2079 C VAL A 132 2.222 -3.255 -9.632 1.00 12.34 C ATOM 2080 O VAL A 132 2.959 -4.138 -10.064 1.00 54.41 O ATOM 2081 CB VAL A 132 2.861 -1.014 -8.591 1.00 12.20 C ATOM 2082 CG1 VAL A 132 3.992 -1.721 -7.804 1.00 74.24 C ATOM 2083 CG2 VAL A 132 3.239 0.461 -8.857 1.00 63.13 C ATOM 0 H VAL A 132 0.953 -0.382 -10.150 1.00 22.35 H new ATOM 0 HA VAL A 132 3.386 -1.711 -10.599 1.00 41.02 H new ATOM 0 HB VAL A 132 1.958 -1.034 -7.980 1.00 12.20 H new ATOM 0 HG11 VAL A 132 4.197 -1.169 -6.887 1.00 74.24 H new ATOM 0 HG12 VAL A 132 3.683 -2.736 -7.555 1.00 74.24 H new ATOM 0 HG13 VAL A 132 4.894 -1.756 -8.415 1.00 74.24 H new ATOM 0 HG21 VAL A 132 3.467 0.954 -7.912 1.00 63.13 H new ATOM 0 HG22 VAL A 132 4.113 0.501 -9.507 1.00 63.13 H new ATOM 0 HG23 VAL A 132 2.404 0.969 -9.340 1.00 63.13 H new ATOM 2093 N ILE A 133 1.094 -3.496 -8.937 1.00 24.12 N ATOM 2094 CA ILE A 133 0.651 -4.842 -8.508 1.00 1.34 C ATOM 2095 C ILE A 133 0.311 -5.717 -9.750 1.00 61.44 C ATOM 2096 O ILE A 133 0.597 -6.912 -9.770 1.00 31.51 O ATOM 2097 CB ILE A 133 -0.575 -4.721 -7.503 1.00 20.42 C ATOM 2098 CG1 ILE A 133 -0.169 -3.891 -6.231 1.00 2.44 C ATOM 2099 CG2 ILE A 133 -1.148 -6.093 -7.089 1.00 21.45 C ATOM 2100 CD1 ILE A 133 -1.311 -3.622 -5.258 1.00 4.13 C ATOM 0 H ILE A 133 0.455 -2.754 -8.653 1.00 24.12 H new ATOM 0 HA ILE A 133 1.461 -5.339 -7.974 1.00 1.34 H new ATOM 0 HB ILE A 133 -1.366 -4.196 -8.038 1.00 20.42 H new ATOM 0 HG12 ILE A 133 0.623 -4.423 -5.703 1.00 2.44 H new ATOM 0 HG13 ILE A 133 0.248 -2.937 -6.554 1.00 2.44 H new ATOM 0 HG21 ILE A 133 -1.982 -5.947 -6.403 1.00 21.45 H new ATOM 0 HG22 ILE A 133 -1.496 -6.624 -7.975 1.00 21.45 H new ATOM 0 HG23 ILE A 133 -0.371 -6.678 -6.597 1.00 21.45 H new ATOM 0 HD11 ILE A 133 -0.939 -3.044 -4.412 1.00 4.13 H new ATOM 0 HD12 ILE A 133 -2.096 -3.060 -5.764 1.00 4.13 H new ATOM 0 HD13 ILE A 133 -1.716 -4.569 -4.901 1.00 4.13 H new ATOM 2112 N GLY A 134 -0.234 -5.073 -10.800 1.00 24.22 N ATOM 2113 CA GLY A 134 -0.478 -5.736 -12.093 1.00 11.21 C ATOM 2114 C GLY A 134 0.816 -6.251 -12.742 1.00 71.31 C ATOM 2115 O GLY A 134 0.841 -7.340 -13.336 1.00 5.21 O ATOM 0 H GLY A 134 -0.514 -4.092 -10.777 1.00 24.22 H new ATOM 0 HA2 GLY A 134 -1.164 -6.570 -11.946 1.00 11.21 H new ATOM 0 HA3 GLY A 134 -0.967 -5.036 -12.770 1.00 11.21 H new ATOM 2119 N THR A 135 1.901 -5.458 -12.593 1.00 45.31 N ATOM 2120 CA THR A 135 3.241 -5.776 -13.130 1.00 54.14 C ATOM 2121 C THR A 135 3.879 -6.983 -12.397 1.00 52.12 C ATOM 2122 O THR A 135 4.728 -7.688 -12.956 1.00 53.22 O ATOM 2123 CB THR A 135 4.174 -4.519 -13.043 1.00 3.41 C ATOM 2124 OG1 THR A 135 3.553 -3.420 -13.728 1.00 4.33 O ATOM 2125 CG2 THR A 135 5.571 -4.743 -13.656 1.00 1.21 C ATOM 0 H THR A 135 1.869 -4.571 -12.091 1.00 45.31 H new ATOM 0 HA THR A 135 3.123 -6.055 -14.177 1.00 54.14 H new ATOM 0 HB THR A 135 4.313 -4.312 -11.982 1.00 3.41 H new ATOM 0 HG1 THR A 135 2.996 -2.915 -13.099 1.00 4.33 H new ATOM 0 HG21 THR A 135 6.161 -3.832 -13.560 1.00 1.21 H new ATOM 0 HG22 THR A 135 6.072 -5.557 -13.132 1.00 1.21 H new ATOM 0 HG23 THR A 135 5.469 -4.999 -14.710 1.00 1.21 H new ATOM 2133 N ILE A 136 3.446 -7.222 -11.147 1.00 33.40 N ATOM 2134 CA ILE A 136 3.982 -8.303 -10.284 1.00 61.02 C ATOM 2135 C ILE A 136 3.452 -9.697 -10.722 1.00 31.55 C ATOM 2136 O ILE A 136 3.903 -10.739 -10.226 1.00 41.11 O ATOM 2137 CB ILE A 136 3.661 -7.990 -8.766 1.00 13.25 C ATOM 2138 CG1 ILE A 136 4.059 -6.518 -8.415 1.00 23.31 C ATOM 2139 CG2 ILE A 136 4.332 -8.983 -7.795 1.00 3.52 C ATOM 2140 CD1 ILE A 136 5.411 -6.045 -8.946 1.00 53.33 C ATOM 0 H ILE A 136 2.712 -6.672 -10.700 1.00 33.40 H new ATOM 0 HA ILE A 136 5.065 -8.338 -10.398 1.00 61.02 H new ATOM 0 HB ILE A 136 2.585 -8.110 -8.639 1.00 13.25 H new ATOM 0 HG12 ILE A 136 3.287 -5.852 -8.800 1.00 23.31 H new ATOM 0 HG13 ILE A 136 4.060 -6.412 -7.330 1.00 23.31 H new ATOM 0 HG21 ILE A 136 4.076 -8.718 -6.769 1.00 3.52 H new ATOM 0 HG22 ILE A 136 3.981 -9.993 -8.007 1.00 3.52 H new ATOM 0 HG23 ILE A 136 5.414 -8.941 -7.921 1.00 3.52 H new ATOM 0 HD11 ILE A 136 5.580 -5.012 -8.642 1.00 53.33 H new ATOM 0 HD12 ILE A 136 6.202 -6.677 -8.542 1.00 53.33 H new ATOM 0 HD13 ILE A 136 5.417 -6.108 -10.034 1.00 53.33 H new ATOM 2152 N GLU A 137 2.506 -9.703 -11.676 1.00 52.53 N ATOM 2153 CA GLU A 137 2.042 -10.933 -12.342 1.00 34.21 C ATOM 2154 C GLU A 137 2.866 -11.149 -13.630 1.00 51.41 C ATOM 2155 O GLU A 137 3.594 -12.148 -13.763 1.00 43.11 O ATOM 2156 CB GLU A 137 0.525 -10.829 -12.650 1.00 63.45 C ATOM 2157 CG GLU A 137 -0.338 -10.507 -11.418 1.00 13.51 C ATOM 2158 CD GLU A 137 -1.857 -10.514 -11.674 1.00 50.41 C ATOM 2159 OE1 GLU A 137 -2.337 -9.670 -12.462 1.00 25.32 O ATOM 2160 OE2 GLU A 137 -2.576 -11.380 -11.114 1.00 53.11 O ATOM 0 H GLU A 137 2.042 -8.857 -12.007 1.00 52.53 H new ATOM 0 HA GLU A 137 2.188 -11.792 -11.687 1.00 34.21 H new ATOM 0 HB2 GLU A 137 0.369 -10.057 -13.403 1.00 63.45 H new ATOM 0 HB3 GLU A 137 0.186 -11.770 -13.083 1.00 63.45 H new ATOM 0 HG2 GLU A 137 -0.112 -11.231 -10.635 1.00 13.51 H new ATOM 0 HG3 GLU A 137 -0.052 -9.526 -11.038 1.00 13.51 H new ATOM 2167 N GLU A 138 2.757 -10.173 -14.553 1.00 75.13 N ATOM 2168 CA GLU A 138 3.522 -10.116 -15.832 1.00 31.34 C ATOM 2169 C GLU A 138 3.892 -8.654 -16.139 1.00 33.11 C ATOM 2170 O GLU A 138 3.384 -7.746 -15.490 1.00 10.40 O ATOM 2171 CB GLU A 138 2.707 -10.710 -17.015 1.00 43.13 C ATOM 2172 CG GLU A 138 2.565 -12.243 -16.999 1.00 74.21 C ATOM 2173 CD GLU A 138 1.703 -12.779 -18.149 1.00 22.24 C ATOM 2174 OE1 GLU A 138 0.459 -12.756 -18.024 1.00 4.14 O ATOM 2175 OE2 GLU A 138 2.255 -13.205 -19.188 1.00 33.53 O ATOM 0 H GLU A 138 2.124 -9.382 -14.436 1.00 75.13 H new ATOM 0 HA GLU A 138 4.425 -10.716 -15.715 1.00 31.34 H new ATOM 0 HB2 GLU A 138 1.711 -10.267 -17.009 1.00 43.13 H new ATOM 0 HB3 GLU A 138 3.182 -10.413 -17.950 1.00 43.13 H new ATOM 0 HG2 GLU A 138 3.556 -12.694 -17.054 1.00 74.21 H new ATOM 0 HG3 GLU A 138 2.127 -12.552 -16.050 1.00 74.21 H new ATOM 2182 N ILE A 139 4.758 -8.443 -17.153 1.00 12.33 N ATOM 2183 CA ILE A 139 5.244 -7.100 -17.542 1.00 31.33 C ATOM 2184 C ILE A 139 4.082 -6.164 -18.010 1.00 45.24 C ATOM 2185 O ILE A 139 3.648 -6.197 -19.166 1.00 3.44 O ATOM 2186 CB ILE A 139 6.396 -7.192 -18.633 1.00 11.24 C ATOM 2187 CG1 ILE A 139 5.984 -8.082 -19.858 1.00 54.01 C ATOM 2188 CG2 ILE A 139 7.712 -7.709 -18.005 1.00 55.34 C ATOM 2189 CD1 ILE A 139 7.039 -8.183 -20.963 1.00 22.22 C ATOM 0 H ILE A 139 5.140 -9.197 -17.725 1.00 12.33 H new ATOM 0 HA ILE A 139 5.672 -6.647 -16.648 1.00 31.33 H new ATOM 0 HB ILE A 139 6.560 -6.181 -19.007 1.00 11.24 H new ATOM 0 HG12 ILE A 139 5.757 -9.086 -19.499 1.00 54.01 H new ATOM 0 HG13 ILE A 139 5.066 -7.681 -20.287 1.00 54.01 H new ATOM 0 HG21 ILE A 139 8.485 -7.763 -18.772 1.00 55.34 H new ATOM 0 HG22 ILE A 139 8.031 -7.028 -17.216 1.00 55.34 H new ATOM 0 HG23 ILE A 139 7.549 -8.701 -17.584 1.00 55.34 H new ATOM 0 HD11 ILE A 139 6.665 -8.818 -21.766 1.00 22.22 H new ATOM 0 HD12 ILE A 139 7.251 -7.188 -21.355 1.00 22.22 H new ATOM 0 HD13 ILE A 139 7.953 -8.615 -20.555 1.00 22.22 H new ATOM 2201 N LYS A 140 3.561 -5.354 -17.063 1.00 51.43 N ATOM 2202 CA LYS A 140 2.412 -4.445 -17.306 1.00 31.40 C ATOM 2203 C LYS A 140 2.813 -2.970 -17.136 1.00 52.33 C ATOM 2204 O LYS A 140 3.759 -2.657 -16.410 1.00 24.25 O ATOM 2205 CB LYS A 140 1.231 -4.789 -16.341 1.00 1.03 C ATOM 2206 CG LYS A 140 0.652 -6.220 -16.482 1.00 65.33 C ATOM 2207 CD LYS A 140 0.234 -6.579 -17.925 1.00 11.34 C ATOM 2208 CE LYS A 140 -0.858 -5.662 -18.491 1.00 44.34 C ATOM 2209 NZ LYS A 140 -1.137 -5.956 -19.926 1.00 12.22 N ATOM 0 H LYS A 140 3.922 -5.309 -16.110 1.00 51.43 H new ATOM 0 HA LYS A 140 2.089 -4.592 -18.337 1.00 31.40 H new ATOM 0 HB2 LYS A 140 1.571 -4.653 -15.315 1.00 1.03 H new ATOM 0 HB3 LYS A 140 0.427 -4.072 -16.508 1.00 1.03 H new ATOM 0 HG2 LYS A 140 1.396 -6.939 -16.139 1.00 65.33 H new ATOM 0 HG3 LYS A 140 -0.213 -6.319 -15.827 1.00 65.33 H new ATOM 0 HD2 LYS A 140 1.110 -6.530 -18.572 1.00 11.34 H new ATOM 0 HD3 LYS A 140 -0.121 -7.609 -17.947 1.00 11.34 H new ATOM 0 HE2 LYS A 140 -1.772 -5.784 -17.910 1.00 44.34 H new ATOM 0 HE3 LYS A 140 -0.550 -4.622 -18.386 1.00 44.34 H new ATOM 0 HZ1 LYS A 140 -1.880 -5.317 -20.273 1.00 12.22 H new ATOM 0 HZ2 LYS A 140 -0.271 -5.815 -20.484 1.00 12.22 H new ATOM 0 HZ3 LYS A 140 -1.455 -6.941 -20.023 1.00 12.22 H new ATOM 2223 N SER A 141 2.068 -2.085 -17.822 1.00 23.44 N ATOM 2224 CA SER A 141 2.233 -0.626 -17.749 1.00 72.24 C ATOM 2225 C SER A 141 0.878 0.042 -18.123 1.00 63.04 C ATOM 2226 O SER A 141 0.675 0.419 -19.296 1.00 23.42 O ATOM 2227 CB SER A 141 3.391 -0.150 -18.674 1.00 12.02 C ATOM 2228 OG SER A 141 4.646 -0.645 -18.242 1.00 64.43 O ATOM 2229 OXT SER A 141 -0.005 0.129 -17.246 1.00 38.17 O ATOM 0 H SER A 141 1.321 -2.372 -18.454 1.00 23.44 H new ATOM 0 HA SER A 141 2.507 -0.331 -16.736 1.00 72.24 H new ATOM 0 HB2 SER A 141 3.201 -0.482 -19.695 1.00 12.02 H new ATOM 0 HB3 SER A 141 3.417 0.940 -18.693 1.00 12.02 H new ATOM 0 HG SER A 141 4.514 -1.258 -17.489 1.00 64.43 H new TER 2235 SER A 141