USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 518 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 18 THR OG1 : rot 118:sc= -2.33 USER MOD Set 1.2: A 21 MET CE :methyl -167:sc= -4.99! (180deg=-6.15!) USER MOD Set 2.1: A 14 ASN : amide:sc= -4.8! C(o=-5.6!,f=-19!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -133:sc= -0.781! (180deg=-0.873) USER MOD Set 3.1: A 2 GLN : amide:sc= -5.66! C(o=-4.8!,f=-14!) USER MOD Set 3.2: A 4 SER OG : rot -72:sc= 0.853 USER MOD Single : A 0 MET CE :methyl -165:sc= 0 (180deg=-0.287) USER MOD Single : A 0 MET N :NH3+ 164:sc= -0.0158 (180deg=-0.268) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 68:sc= 0.104 USER MOD Single : A 22 MET CE :methyl -178:sc= -4.07! (180deg=-4.17!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 111:sc= 0.917 USER MOD Single : A 28 SER OG : rot 180:sc= -0.383 USER MOD Single : A 30 THR OG1 : rot 50:sc= 0.185 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -140:sc= -9.5! (180deg=-17.9!) USER MOD Single : A 44 GLN : amide:sc= 0.0516 X(o=0.052,f=0) USER MOD Single : A 46 ASN : amide:sc= -9.02! C(o=-9!,f=-7.3!) USER MOD Single : A 47 GLN : amide:sc= -2.15! K(o=-2.2!,f=-0.86) USER MOD Single : A 51 MET CE :methyl 174:sc= -3.75! (180deg=-4.34!) USER MOD Single : A 53 THR OG1 : rot -130:sc= -0.861 USER MOD Single : A 54 THR OG1 : rot 150:sc= -4.49! USER MOD Single : A 56 MET CE :methyl 175:sc= -3.81! (180deg=-4.1!) USER MOD Single : A 59 MET CE :methyl -176:sc= -4.19 (180deg=-4.25!) USER MOD Single : A 63 TYR OH : rot 139:sc= -0.197 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.323 -0.023 0.221 1.00 1.33 N ATOM 2 CA MET A 0 2.034 -0.380 -0.994 1.00 42.15 C ATOM 3 C MET A 0 1.093 -1.034 -2.008 1.00 40.22 C ATOM 4 O MET A 0 1.482 -1.967 -2.709 1.00 54.34 O ATOM 5 CB MET A 0 3.171 -1.346 -0.656 1.00 20.32 C ATOM 6 CG MET A 0 2.634 -2.757 -0.402 1.00 45.43 C ATOM 7 SD MET A 0 3.687 -3.611 0.759 1.00 42.40 S ATOM 8 CE MET A 0 5.230 -3.577 -0.138 1.00 50.42 C ATOM 0 H1 MET A 0 2.007 0.162 0.982 1.00 1.33 H new ATOM 0 H2 MET A 0 0.754 0.831 0.052 1.00 1.33 H new ATOM 0 H3 MET A 0 0.698 -0.806 0.500 1.00 1.33 H new ATOM 0 HA MET A 0 2.439 0.530 -1.436 1.00 42.15 H new ATOM 0 HB2 MET A 0 3.890 -1.368 -1.475 1.00 20.32 H new ATOM 0 HB3 MET A 0 3.704 -0.992 0.226 1.00 20.32 H new ATOM 0 HG2 MET A 0 1.617 -2.703 -0.012 1.00 45.43 H new ATOM 0 HG3 MET A 0 2.587 -3.311 -1.339 1.00 45.43 H new ATOM 0 HE1 MET A 0 5.926 -4.288 0.308 1.00 50.42 H new ATOM 0 HE2 MET A 0 5.052 -3.848 -1.179 1.00 50.42 H new ATOM 0 HE3 MET A 0 5.656 -2.575 -0.092 1.00 50.42 H new ATOM 18 N ASN A 1 -0.127 -0.518 -2.053 1.00 63.44 N ATOM 19 CA ASN A 1 -1.126 -1.040 -2.970 1.00 33.54 C ATOM 20 C ASN A 1 -1.776 0.121 -3.725 1.00 24.11 C ATOM 21 O ASN A 1 -2.790 0.662 -3.286 1.00 64.33 O ATOM 22 CB ASN A 1 -2.227 -1.788 -2.216 1.00 34.55 C ATOM 23 CG ASN A 1 -1.641 -2.918 -1.367 1.00 24.12 C ATOM 24 OD1 ASN A 1 -1.637 -2.876 -0.147 1.00 42.25 O ATOM 25 ND2 ASN A 1 -1.146 -3.928 -2.077 1.00 53.13 N ATOM 0 H ASN A 1 -0.446 0.256 -1.470 1.00 63.44 H new ATOM 0 HA ASN A 1 -0.628 -1.725 -3.656 1.00 33.54 H new ATOM 0 HB2 ASN A 1 -2.771 -1.093 -1.577 1.00 34.55 H new ATOM 0 HB3 ASN A 1 -2.945 -2.197 -2.926 1.00 34.55 H new ATOM 0 HD21 ASN A 1 -0.731 -4.730 -1.602 1.00 53.13 H new ATOM 0 HD22 ASN A 1 -1.181 -3.900 -3.096 1.00 53.13 H new ATOM 32 N GLN A 2 -1.165 0.470 -4.847 1.00 44.24 N ATOM 33 CA GLN A 2 -1.671 1.558 -5.668 1.00 25.52 C ATOM 34 C GLN A 2 -2.428 1.003 -6.876 1.00 65.13 C ATOM 35 O GLN A 2 -1.946 0.095 -7.552 1.00 23.23 O ATOM 36 CB GLN A 2 -0.536 2.485 -6.110 1.00 35.44 C ATOM 37 CG GLN A 2 0.162 1.941 -7.358 1.00 34.23 C ATOM 38 CD GLN A 2 -0.655 2.239 -8.617 1.00 33.04 C ATOM 39 OE1 GLN A 2 -0.981 1.361 -9.399 1.00 44.32 O ATOM 40 NE2 GLN A 2 -0.968 3.523 -8.767 1.00 64.04 N ATOM 0 H GLN A 2 -0.324 0.019 -5.208 1.00 44.24 H new ATOM 0 HA GLN A 2 -2.365 2.148 -5.069 1.00 25.52 H new ATOM 0 HB2 GLN A 2 -0.933 3.479 -6.315 1.00 35.44 H new ATOM 0 HB3 GLN A 2 0.187 2.591 -5.302 1.00 35.44 H new ATOM 0 HG2 GLN A 2 1.152 2.387 -7.449 1.00 34.23 H new ATOM 0 HG3 GLN A 2 0.305 0.865 -7.259 1.00 34.23 H new ATOM 0 HE21 GLN A 2 -0.663 4.207 -8.074 1.00 64.04 H new ATOM 0 HE22 GLN A 2 -1.513 3.824 -9.575 1.00 64.04 H new ATOM 49 N GLU A 3 -3.600 1.572 -7.112 1.00 13.41 N ATOM 50 CA GLU A 3 -4.429 1.146 -8.227 1.00 44.22 C ATOM 51 C GLU A 3 -3.792 1.569 -9.553 1.00 31.41 C ATOM 52 O GLU A 3 -3.394 2.721 -9.715 1.00 51.10 O ATOM 53 CB GLU A 3 -5.848 1.701 -8.099 1.00 55.42 C ATOM 54 CG GLU A 3 -6.770 0.697 -7.404 1.00 64.45 C ATOM 55 CD GLU A 3 -8.156 1.299 -7.164 1.00 64.50 C ATOM 56 OE1 GLU A 3 -9.141 0.846 -7.765 1.00 70.51 O ATOM 57 OE2 GLU A 3 -8.188 2.271 -6.317 1.00 72.00 O ATOM 0 H GLU A 3 -3.996 2.325 -6.550 1.00 13.41 H new ATOM 0 HA GLU A 3 -4.497 0.058 -8.209 1.00 44.22 H new ATOM 0 HB2 GLU A 3 -5.828 2.633 -7.534 1.00 55.42 H new ATOM 0 HB3 GLU A 3 -6.241 1.936 -9.088 1.00 55.42 H new ATOM 0 HG2 GLU A 3 -6.861 -0.202 -8.014 1.00 64.45 H new ATOM 0 HG3 GLU A 3 -6.332 0.394 -6.453 1.00 64.45 H new ATOM 65 N SER A 4 -3.716 0.613 -10.467 1.00 61.31 N ATOM 66 CA SER A 4 -3.135 0.871 -11.773 1.00 45.25 C ATOM 67 C SER A 4 -4.184 0.656 -12.865 1.00 75.34 C ATOM 68 O SER A 4 -5.016 -0.245 -12.763 1.00 10.11 O ATOM 69 CB SER A 4 -1.919 -0.024 -12.022 1.00 42.31 C ATOM 70 OG SER A 4 -1.399 -0.566 -10.811 1.00 61.44 O ATOM 0 H SER A 4 -4.047 -0.342 -10.329 1.00 61.31 H new ATOM 0 HA SER A 4 -2.801 1.908 -11.799 1.00 45.25 H new ATOM 0 HB2 SER A 4 -2.198 -0.837 -12.693 1.00 42.31 H new ATOM 0 HB3 SER A 4 -1.142 0.552 -12.525 1.00 42.31 H new ATOM 0 HG SER A 4 -0.956 0.143 -10.299 1.00 61.44 H new ATOM 76 N VAL A 5 -4.112 1.498 -13.886 1.00 21.52 N ATOM 77 CA VAL A 5 -5.046 1.411 -14.996 1.00 23.53 C ATOM 78 C VAL A 5 -5.017 -0.007 -15.571 1.00 1.01 C ATOM 79 O VAL A 5 -3.946 -0.578 -15.771 1.00 1.12 O ATOM 80 CB VAL A 5 -4.723 2.485 -16.036 1.00 70.35 C ATOM 81 CG1 VAL A 5 -5.592 2.317 -17.285 1.00 2.14 C ATOM 82 CG2 VAL A 5 -4.879 3.887 -15.444 1.00 21.41 C ATOM 0 H VAL A 5 -3.421 2.244 -13.968 1.00 21.52 H new ATOM 0 HA VAL A 5 -6.064 1.603 -14.656 1.00 23.53 H new ATOM 0 HB VAL A 5 -3.681 2.361 -16.333 1.00 70.35 H new ATOM 0 HG11 VAL A 5 -5.343 3.093 -18.009 1.00 2.14 H new ATOM 0 HG12 VAL A 5 -5.409 1.337 -17.726 1.00 2.14 H new ATOM 0 HG13 VAL A 5 -6.644 2.401 -17.011 1.00 2.14 H new ATOM 0 HG21 VAL A 5 -4.643 4.631 -16.205 1.00 21.41 H new ATOM 0 HG22 VAL A 5 -5.906 4.027 -15.105 1.00 21.41 H new ATOM 0 HG23 VAL A 5 -4.199 4.003 -14.600 1.00 21.41 H new ATOM 92 N VAL A 6 -6.206 -0.534 -15.821 1.00 34.13 N ATOM 93 CA VAL A 6 -6.331 -1.874 -16.369 1.00 11.01 C ATOM 94 C VAL A 6 -7.418 -1.881 -17.445 1.00 55.12 C ATOM 95 O VAL A 6 -8.582 -1.603 -17.159 1.00 0.11 O ATOM 96 CB VAL A 6 -6.597 -2.877 -15.244 1.00 44.13 C ATOM 97 CG1 VAL A 6 -6.954 -4.253 -15.810 1.00 0.21 C ATOM 98 CG2 VAL A 6 -5.399 -2.968 -14.297 1.00 1.34 C ATOM 0 H VAL A 6 -7.092 -0.057 -15.654 1.00 34.13 H new ATOM 0 HA VAL A 6 -5.400 -2.180 -16.846 1.00 11.01 H new ATOM 0 HB VAL A 6 -7.452 -2.519 -14.670 1.00 44.13 H new ATOM 0 HG11 VAL A 6 -7.138 -4.947 -14.990 1.00 0.21 H new ATOM 0 HG12 VAL A 6 -7.850 -4.172 -16.425 1.00 0.21 H new ATOM 0 HG13 VAL A 6 -6.128 -4.621 -16.419 1.00 0.21 H new ATOM 0 HG21 VAL A 6 -5.614 -3.687 -13.507 1.00 1.34 H new ATOM 0 HG22 VAL A 6 -4.519 -3.292 -14.853 1.00 1.34 H new ATOM 0 HG23 VAL A 6 -5.209 -1.990 -13.855 1.00 1.34 H new ATOM 108 N ALA A 7 -7.001 -2.201 -18.661 1.00 21.50 N ATOM 109 CA ALA A 7 -7.925 -2.248 -19.782 1.00 22.25 C ATOM 110 C ALA A 7 -9.180 -3.019 -19.370 1.00 34.42 C ATOM 111 O ALA A 7 -9.157 -4.246 -19.275 1.00 3.55 O ATOM 112 CB ALA A 7 -7.228 -2.872 -20.992 1.00 61.32 C ATOM 0 H ALA A 7 -6.035 -2.430 -18.895 1.00 21.50 H new ATOM 0 HA ALA A 7 -8.235 -1.243 -20.067 1.00 22.25 H new ATOM 0 HB1 ALA A 7 -7.921 -2.907 -21.833 1.00 61.32 H new ATOM 0 HB2 ALA A 7 -6.360 -2.271 -21.262 1.00 61.32 H new ATOM 0 HB3 ALA A 7 -6.906 -3.883 -20.745 1.00 61.32 H new ATOM 118 N ALA A 8 -10.247 -2.269 -19.137 1.00 32.11 N ATOM 119 CA ALA A 8 -11.510 -2.867 -18.738 1.00 0.14 C ATOM 120 C ALA A 8 -12.090 -3.656 -19.913 1.00 62.21 C ATOM 121 O ALA A 8 -13.075 -4.376 -19.756 1.00 63.13 O ATOM 122 CB ALA A 8 -12.459 -1.773 -18.245 1.00 35.12 C ATOM 0 H ALA A 8 -10.263 -1.252 -19.217 1.00 32.11 H new ATOM 0 HA ALA A 8 -11.361 -3.565 -17.914 1.00 0.14 H new ATOM 0 HB1 ALA A 8 -13.406 -2.221 -17.946 1.00 35.12 H new ATOM 0 HB2 ALA A 8 -12.013 -1.262 -17.391 1.00 35.12 H new ATOM 0 HB3 ALA A 8 -12.634 -1.055 -19.046 1.00 35.12 H new ATOM 128 N VAL A 9 -11.454 -3.494 -21.064 1.00 71.32 N ATOM 129 CA VAL A 9 -11.895 -4.183 -22.266 1.00 5.34 C ATOM 130 C VAL A 9 -10.729 -4.272 -23.253 1.00 32.41 C ATOM 131 O VAL A 9 -9.680 -3.668 -23.037 1.00 51.31 O ATOM 132 CB VAL A 9 -13.121 -3.481 -22.851 1.00 55.31 C ATOM 133 CG1 VAL A 9 -14.309 -3.560 -21.890 1.00 11.23 C ATOM 134 CG2 VAL A 9 -12.803 -2.028 -23.210 1.00 65.25 C ATOM 0 H VAL A 9 -10.637 -2.896 -21.190 1.00 71.32 H new ATOM 0 HA VAL A 9 -12.202 -5.202 -22.032 1.00 5.34 H new ATOM 0 HB VAL A 9 -13.397 -4.000 -23.769 1.00 55.31 H new ATOM 0 HG11 VAL A 9 -15.168 -3.053 -22.330 1.00 11.23 H new ATOM 0 HG12 VAL A 9 -14.559 -4.605 -21.706 1.00 11.23 H new ATOM 0 HG13 VAL A 9 -14.047 -3.078 -20.948 1.00 11.23 H new ATOM 0 HG21 VAL A 9 -13.692 -1.552 -23.624 1.00 65.25 H new ATOM 0 HG22 VAL A 9 -12.489 -1.492 -22.314 1.00 65.25 H new ATOM 0 HG23 VAL A 9 -12.001 -2.003 -23.948 1.00 65.25 H new ATOM 144 N LEU A 10 -10.953 -5.032 -24.315 1.00 43.23 N ATOM 145 CA LEU A 10 -9.934 -5.208 -25.337 1.00 33.54 C ATOM 146 C LEU A 10 -9.650 -3.862 -26.006 1.00 32.14 C ATOM 147 O LEU A 10 -10.454 -3.379 -26.802 1.00 5.22 O ATOM 148 CB LEU A 10 -10.345 -6.308 -26.318 1.00 24.41 C ATOM 149 CG LEU A 10 -9.508 -6.414 -27.595 1.00 33.22 C ATOM 150 CD1 LEU A 10 -8.335 -7.378 -27.404 1.00 14.33 C ATOM 151 CD2 LEU A 10 -10.380 -6.802 -28.791 1.00 32.54 C ATOM 0 H LEU A 10 -11.824 -5.533 -24.490 1.00 43.23 H new ATOM 0 HA LEU A 10 -8.999 -5.544 -24.889 1.00 33.54 H new ATOM 0 HB2 LEU A 10 -10.302 -7.265 -25.799 1.00 24.41 H new ATOM 0 HB3 LEU A 10 -11.385 -6.145 -26.601 1.00 24.41 H new ATOM 0 HG LEU A 10 -9.086 -5.432 -27.809 1.00 33.22 H new ATOM 0 HD11 LEU A 10 -7.757 -7.435 -28.326 1.00 14.33 H new ATOM 0 HD12 LEU A 10 -7.697 -7.019 -26.597 1.00 14.33 H new ATOM 0 HD13 LEU A 10 -8.715 -8.368 -27.153 1.00 14.33 H new ATOM 0 HD21 LEU A 10 -9.761 -6.871 -29.686 1.00 32.54 H new ATOM 0 HD22 LEU A 10 -10.851 -7.767 -28.601 1.00 32.54 H new ATOM 0 HD23 LEU A 10 -11.151 -6.046 -28.940 1.00 32.54 H new ATOM 163 N ILE A 11 -8.505 -3.295 -25.658 1.00 4.33 N ATOM 164 CA ILE A 11 -8.104 -2.014 -26.215 1.00 15.45 C ATOM 165 C ILE A 11 -7.060 -2.242 -27.309 1.00 70.00 C ATOM 166 O ILE A 11 -5.914 -2.580 -27.018 1.00 21.24 O ATOM 167 CB ILE A 11 -7.636 -1.070 -25.105 1.00 53.20 C ATOM 168 CG1 ILE A 11 -8.308 -1.413 -23.774 1.00 23.13 C ATOM 169 CG2 ILE A 11 -7.858 0.392 -25.499 1.00 31.12 C ATOM 170 CD1 ILE A 11 -8.266 -0.221 -22.815 1.00 63.32 C ATOM 0 H ILE A 11 -7.842 -3.699 -24.997 1.00 4.33 H new ATOM 0 HA ILE A 11 -8.955 -1.520 -26.684 1.00 15.45 H new ATOM 0 HB ILE A 11 -6.563 -1.208 -24.969 1.00 53.20 H new ATOM 0 HG12 ILE A 11 -9.343 -1.706 -23.950 1.00 23.13 H new ATOM 0 HG13 ILE A 11 -7.807 -2.268 -23.319 1.00 23.13 H new ATOM 0 HG21 ILE A 11 -7.517 1.042 -24.693 1.00 31.12 H new ATOM 0 HG22 ILE A 11 -7.296 0.614 -26.406 1.00 31.12 H new ATOM 0 HG23 ILE A 11 -8.919 0.563 -25.679 1.00 31.12 H new ATOM 0 HD11 ILE A 11 -8.750 -0.492 -21.877 1.00 63.32 H new ATOM 0 HD12 ILE A 11 -7.229 0.054 -22.622 1.00 63.32 H new ATOM 0 HD13 ILE A 11 -8.789 0.624 -23.262 1.00 63.32 H new ATOM 182 N PRO A 12 -7.505 -2.043 -28.579 1.00 10.03 N ATOM 183 CA PRO A 12 -6.622 -2.224 -29.718 1.00 41.42 C ATOM 184 C PRO A 12 -5.641 -1.056 -29.842 1.00 62.11 C ATOM 185 O PRO A 12 -5.748 -0.070 -29.114 1.00 71.41 O ATOM 186 CB PRO A 12 -7.548 -2.351 -30.917 1.00 25.40 C ATOM 187 CG PRO A 12 -8.883 -1.776 -30.475 1.00 53.34 C ATOM 188 CD PRO A 12 -8.856 -1.642 -28.962 1.00 23.24 C ATOM 0 HA PRO A 12 -5.990 -3.107 -29.624 1.00 41.42 H new ATOM 0 HB2 PRO A 12 -7.153 -1.807 -31.775 1.00 25.40 H new ATOM 0 HB3 PRO A 12 -7.653 -3.392 -31.221 1.00 25.40 H new ATOM 0 HG2 PRO A 12 -9.053 -0.805 -30.941 1.00 53.34 H new ATOM 0 HG3 PRO A 12 -9.700 -2.427 -30.786 1.00 53.34 H new ATOM 0 HD2 PRO A 12 -9.069 -0.619 -28.651 1.00 23.24 H new ATOM 0 HD3 PRO A 12 -9.606 -2.280 -28.494 1.00 23.24 H new ATOM 196 N ILE A 13 -4.707 -1.206 -30.770 1.00 4.24 N ATOM 197 CA ILE A 13 -3.707 -0.176 -30.998 1.00 53.03 C ATOM 198 C ILE A 13 -4.387 1.070 -31.571 1.00 64.51 C ATOM 199 O ILE A 13 -5.451 0.976 -32.180 1.00 33.22 O ATOM 200 CB ILE A 13 -2.573 -0.715 -31.872 1.00 50.14 C ATOM 201 CG1 ILE A 13 -1.493 0.347 -32.085 1.00 44.51 C ATOM 202 CG2 ILE A 13 -3.112 -1.257 -33.198 1.00 34.35 C ATOM 203 CD1 ILE A 13 -0.424 -0.145 -33.063 1.00 20.41 C ATOM 0 H ILE A 13 -4.622 -2.025 -31.372 1.00 4.24 H new ATOM 0 HA ILE A 13 -3.241 0.118 -30.058 1.00 53.03 H new ATOM 0 HB ILE A 13 -2.106 -1.549 -31.349 1.00 50.14 H new ATOM 0 HG12 ILE A 13 -1.947 1.261 -32.467 1.00 44.51 H new ATOM 0 HG13 ILE A 13 -1.030 0.596 -31.130 1.00 44.51 H new ATOM 0 HG21 ILE A 13 -2.285 -1.634 -33.800 1.00 34.35 H new ATOM 0 HG22 ILE A 13 -3.816 -2.066 -33.001 1.00 34.35 H new ATOM 0 HG23 ILE A 13 -3.619 -0.458 -33.738 1.00 34.35 H new ATOM 0 HD11 ILE A 13 0.331 0.629 -33.196 1.00 20.41 H new ATOM 0 HD12 ILE A 13 0.045 -1.045 -32.666 1.00 20.41 H new ATOM 0 HD13 ILE A 13 -0.886 -0.370 -34.024 1.00 20.41 H new ATOM 215 N ASN A 14 -3.743 2.207 -31.356 1.00 2.40 N ATOM 216 CA ASN A 14 -4.272 3.470 -31.843 1.00 45.13 C ATOM 217 C ASN A 14 -5.783 3.510 -31.609 1.00 21.33 C ATOM 218 O ASN A 14 -6.550 3.793 -32.527 1.00 51.44 O ATOM 219 CB ASN A 14 -4.022 3.629 -33.344 1.00 43.22 C ATOM 220 CG ASN A 14 -2.596 3.212 -33.710 1.00 61.01 C ATOM 221 OD1 ASN A 14 -1.648 3.439 -32.977 1.00 24.33 O ATOM 222 ND2 ASN A 14 -2.498 2.591 -34.882 1.00 42.32 N ATOM 0 H ASN A 14 -2.860 2.281 -30.851 1.00 2.40 H new ATOM 0 HA ASN A 14 -3.770 4.275 -31.306 1.00 45.13 H new ATOM 0 HB2 ASN A 14 -4.736 3.023 -33.901 1.00 43.22 H new ATOM 0 HB3 ASN A 14 -4.188 4.666 -33.636 1.00 43.22 H new ATOM 0 HD21 ASN A 14 -1.588 2.273 -35.216 1.00 42.32 H new ATOM 0 HD22 ASN A 14 -3.333 2.433 -35.447 1.00 42.32 H new ATOM 229 N THR A 15 -6.166 3.221 -30.374 1.00 4.05 N ATOM 230 CA THR A 15 -7.572 3.220 -30.007 1.00 5.14 C ATOM 231 C THR A 15 -7.833 4.239 -28.896 1.00 33.25 C ATOM 232 O THR A 15 -7.301 4.112 -27.794 1.00 30.21 O ATOM 233 CB THR A 15 -7.959 1.790 -29.624 1.00 13.41 C ATOM 234 OG1 THR A 15 -7.827 1.058 -30.839 1.00 31.21 O ATOM 235 CG2 THR A 15 -9.442 1.661 -29.270 1.00 72.30 C ATOM 0 H THR A 15 -5.527 2.986 -29.615 1.00 4.05 H new ATOM 0 HA THR A 15 -8.200 3.529 -30.843 1.00 5.14 H new ATOM 0 HB THR A 15 -7.354 1.464 -28.778 1.00 13.41 H new ATOM 0 HG1 THR A 15 -6.881 1.010 -31.091 1.00 31.21 H new ATOM 0 HG21 THR A 15 -9.664 0.627 -29.006 1.00 72.30 H new ATOM 0 HG22 THR A 15 -9.672 2.309 -28.424 1.00 72.30 H new ATOM 0 HG23 THR A 15 -10.048 1.955 -30.127 1.00 72.30 H new ATOM 243 N ALA A 16 -8.653 5.226 -29.223 1.00 54.44 N ATOM 244 CA ALA A 16 -8.992 6.266 -28.267 1.00 13.41 C ATOM 245 C ALA A 16 -9.423 5.620 -26.949 1.00 0.24 C ATOM 246 O ALA A 16 -10.310 4.768 -26.931 1.00 52.54 O ATOM 247 CB ALA A 16 -10.079 7.168 -28.857 1.00 3.15 C ATOM 0 H ALA A 16 -9.093 5.328 -30.138 1.00 54.44 H new ATOM 0 HA ALA A 16 -8.125 6.893 -28.059 1.00 13.41 H new ATOM 0 HB1 ALA A 16 -10.333 7.948 -28.140 1.00 3.15 H new ATOM 0 HB2 ALA A 16 -9.713 7.625 -29.776 1.00 3.15 H new ATOM 0 HB3 ALA A 16 -10.966 6.573 -29.076 1.00 3.15 H new ATOM 253 N LEU A 17 -8.774 6.050 -25.876 1.00 54.12 N ATOM 254 CA LEU A 17 -9.079 5.524 -24.556 1.00 52.05 C ATOM 255 C LEU A 17 -10.274 6.281 -23.974 1.00 10.42 C ATOM 256 O LEU A 17 -10.375 7.498 -24.123 1.00 3.35 O ATOM 257 CB LEU A 17 -7.836 5.558 -23.666 1.00 4.22 C ATOM 258 CG LEU A 17 -6.692 4.628 -24.075 1.00 43.10 C ATOM 259 CD1 LEU A 17 -5.411 4.964 -23.309 1.00 1.50 C ATOM 260 CD2 LEU A 17 -7.091 3.161 -23.907 1.00 74.23 C ATOM 0 H LEU A 17 -8.038 6.756 -25.894 1.00 54.12 H new ATOM 0 HA LEU A 17 -9.367 4.475 -24.621 1.00 52.05 H new ATOM 0 HB2 LEU A 17 -7.457 6.580 -23.644 1.00 4.22 H new ATOM 0 HB3 LEU A 17 -8.135 5.307 -22.648 1.00 4.22 H new ATOM 0 HG LEU A 17 -6.486 4.787 -25.133 1.00 43.10 H new ATOM 0 HD11 LEU A 17 -4.614 4.288 -23.619 1.00 1.50 H new ATOM 0 HD12 LEU A 17 -5.118 5.992 -23.523 1.00 1.50 H new ATOM 0 HD13 LEU A 17 -5.587 4.852 -22.239 1.00 1.50 H new ATOM 0 HD21 LEU A 17 -6.260 2.522 -24.205 1.00 74.23 H new ATOM 0 HD22 LEU A 17 -7.341 2.969 -22.864 1.00 74.23 H new ATOM 0 HD23 LEU A 17 -7.957 2.945 -24.533 1.00 74.23 H new ATOM 272 N THR A 18 -11.150 5.530 -23.323 1.00 3.15 N ATOM 273 CA THR A 18 -12.334 6.115 -22.717 1.00 3.33 C ATOM 274 C THR A 18 -12.421 5.731 -21.238 1.00 55.34 C ATOM 275 O THR A 18 -11.633 4.920 -20.756 1.00 44.11 O ATOM 276 CB THR A 18 -13.550 5.673 -23.533 1.00 0.03 C ATOM 277 OG1 THR A 18 -13.375 4.267 -23.682 1.00 61.24 O ATOM 278 CG2 THR A 18 -13.519 6.207 -24.966 1.00 50.02 C ATOM 0 H THR A 18 -11.063 4.521 -23.202 1.00 3.15 H new ATOM 0 HA THR A 18 -12.291 7.204 -22.735 1.00 3.33 H new ATOM 0 HB THR A 18 -14.461 6.012 -23.040 1.00 0.03 H new ATOM 0 HG1 THR A 18 -14.120 3.797 -23.252 1.00 61.24 H new ATOM 0 HG21 THR A 18 -14.404 5.864 -25.501 1.00 50.02 H new ATOM 0 HG22 THR A 18 -13.505 7.297 -24.948 1.00 50.02 H new ATOM 0 HG23 THR A 18 -12.625 5.841 -25.471 1.00 50.02 H new ATOM 286 N VAL A 19 -13.388 6.332 -20.560 1.00 50.43 N ATOM 287 CA VAL A 19 -13.589 6.064 -19.147 1.00 33.44 C ATOM 288 C VAL A 19 -14.319 4.729 -18.985 1.00 32.25 C ATOM 289 O VAL A 19 -14.339 4.156 -17.896 1.00 41.01 O ATOM 290 CB VAL A 19 -14.328 7.232 -18.492 1.00 12.44 C ATOM 291 CG1 VAL A 19 -15.844 7.056 -18.605 1.00 64.25 C ATOM 292 CG2 VAL A 19 -13.904 7.400 -17.031 1.00 43.13 C ATOM 0 H VAL A 19 -14.041 7.004 -20.964 1.00 50.43 H new ATOM 0 HA VAL A 19 -12.631 5.976 -18.635 1.00 33.44 H new ATOM 0 HB VAL A 19 -14.055 8.142 -19.027 1.00 12.44 H new ATOM 0 HG11 VAL A 19 -16.345 7.900 -18.131 1.00 64.25 H new ATOM 0 HG12 VAL A 19 -16.128 7.009 -19.656 1.00 64.25 H new ATOM 0 HG13 VAL A 19 -16.141 6.133 -18.108 1.00 64.25 H new ATOM 0 HG21 VAL A 19 -14.444 8.237 -16.589 1.00 43.13 H new ATOM 0 HG22 VAL A 19 -14.133 6.489 -16.479 1.00 43.13 H new ATOM 0 HG23 VAL A 19 -12.832 7.594 -16.983 1.00 43.13 H new ATOM 302 N GLY A 20 -14.902 4.272 -20.083 1.00 45.05 N ATOM 303 CA GLY A 20 -15.631 3.015 -20.077 1.00 1.30 C ATOM 304 C GLY A 20 -14.793 1.892 -20.691 1.00 52.05 C ATOM 305 O GLY A 20 -15.304 0.804 -20.954 1.00 50.30 O ATOM 0 H GLY A 20 -14.884 4.750 -20.984 1.00 45.05 H new ATOM 0 HA2 GLY A 20 -15.903 2.753 -19.054 1.00 1.30 H new ATOM 0 HA3 GLY A 20 -16.560 3.127 -20.635 1.00 1.30 H new ATOM 309 N MET A 21 -13.521 2.194 -20.903 1.00 44.00 N ATOM 310 CA MET A 21 -12.607 1.223 -21.482 1.00 13.43 C ATOM 311 C MET A 21 -11.512 0.839 -20.485 1.00 32.42 C ATOM 312 O MET A 21 -10.990 -0.274 -20.529 1.00 73.35 O ATOM 313 CB MET A 21 -11.968 1.812 -22.741 1.00 63.50 C ATOM 314 CG MET A 21 -12.715 1.360 -23.998 1.00 22.45 C ATOM 315 SD MET A 21 -11.550 0.969 -25.293 1.00 14.22 S ATOM 316 CE MET A 21 -10.544 2.443 -25.260 1.00 10.25 C ATOM 0 H MET A 21 -13.101 3.097 -20.684 1.00 44.00 H new ATOM 0 HA MET A 21 -13.172 0.326 -21.736 1.00 13.43 H new ATOM 0 HB2 MET A 21 -11.975 2.900 -22.681 1.00 63.50 H new ATOM 0 HB3 MET A 21 -10.925 1.502 -22.803 1.00 63.50 H new ATOM 0 HG2 MET A 21 -13.328 0.487 -23.773 1.00 22.45 H new ATOM 0 HG3 MET A 21 -13.392 2.147 -24.332 1.00 22.45 H new ATOM 0 HE1 MET A 21 -9.915 2.474 -26.149 1.00 10.25 H new ATOM 0 HE2 MET A 21 -11.188 3.322 -25.240 1.00 10.25 H new ATOM 0 HE3 MET A 21 -9.914 2.434 -24.370 1.00 10.25 H new ATOM 326 N MET A 22 -11.197 1.781 -19.609 1.00 25.14 N ATOM 327 CA MET A 22 -10.173 1.555 -18.602 1.00 60.53 C ATOM 328 C MET A 22 -10.801 1.251 -17.240 1.00 43.23 C ATOM 329 O MET A 22 -12.022 1.285 -17.094 1.00 65.11 O ATOM 330 CB MET A 22 -9.284 2.795 -18.490 1.00 71.31 C ATOM 331 CG MET A 22 -8.473 3.006 -19.770 1.00 73.34 C ATOM 332 SD MET A 22 -7.733 4.630 -19.764 1.00 13.03 S ATOM 333 CE MET A 22 -9.166 5.625 -20.143 1.00 62.15 C ATOM 0 H MET A 22 -11.632 2.703 -19.575 1.00 25.14 H new ATOM 0 HA MET A 22 -9.575 0.695 -18.905 1.00 60.53 H new ATOM 0 HB2 MET A 22 -9.901 3.673 -18.297 1.00 71.31 H new ATOM 0 HB3 MET A 22 -8.609 2.687 -17.641 1.00 71.31 H new ATOM 0 HG2 MET A 22 -7.697 2.244 -19.848 1.00 73.34 H new ATOM 0 HG3 MET A 22 -9.118 2.895 -20.641 1.00 73.34 H new ATOM 0 HE1 MET A 22 -8.873 6.673 -20.213 1.00 62.15 H new ATOM 0 HE2 MET A 22 -9.592 5.303 -21.093 1.00 62.15 H new ATOM 0 HE3 MET A 22 -9.909 5.508 -19.354 1.00 62.15 H new ATOM 343 N THR A 23 -9.937 0.962 -16.278 1.00 33.21 N ATOM 344 CA THR A 23 -10.392 0.653 -14.933 1.00 22.32 C ATOM 345 C THR A 23 -9.213 0.659 -13.957 1.00 74.42 C ATOM 346 O THR A 23 -8.058 0.727 -14.374 1.00 31.30 O ATOM 347 CB THR A 23 -11.135 -0.684 -14.980 1.00 43.03 C ATOM 348 OG1 THR A 23 -12.074 -0.597 -13.912 1.00 22.40 O ATOM 349 CG2 THR A 23 -10.241 -1.865 -14.596 1.00 2.32 C ATOM 0 H THR A 23 -8.925 0.935 -16.403 1.00 33.21 H new ATOM 0 HA THR A 23 -11.082 1.412 -14.565 1.00 22.32 H new ATOM 0 HB THR A 23 -11.534 -0.842 -15.982 1.00 43.03 H new ATOM 0 HG1 THR A 23 -12.600 -1.423 -13.871 1.00 22.40 H new ATOM 0 HG21 THR A 23 -10.817 -2.789 -14.646 1.00 2.32 H new ATOM 0 HG22 THR A 23 -9.400 -1.924 -15.287 1.00 2.32 H new ATOM 0 HG23 THR A 23 -9.868 -1.724 -13.582 1.00 2.32 H new ATOM 357 N THR A 24 -9.546 0.586 -12.677 1.00 12.32 N ATOM 358 CA THR A 24 -8.530 0.582 -11.638 1.00 42.54 C ATOM 359 C THR A 24 -8.455 -0.792 -10.971 1.00 21.03 C ATOM 360 O THR A 24 -9.482 -1.389 -10.653 1.00 55.30 O ATOM 361 CB THR A 24 -8.848 1.716 -10.661 1.00 42.14 C ATOM 362 OG1 THR A 24 -10.006 1.261 -9.967 1.00 52.41 O ATOM 363 CG2 THR A 24 -9.315 2.988 -11.372 1.00 42.02 C ATOM 0 H THR A 24 -10.505 0.529 -12.335 1.00 12.32 H new ATOM 0 HA THR A 24 -7.538 0.761 -12.054 1.00 42.54 H new ATOM 0 HB THR A 24 -7.964 1.939 -10.063 1.00 42.14 H new ATOM 0 HG1 THR A 24 -9.774 1.070 -9.034 1.00 52.41 H new ATOM 0 HG21 THR A 24 -9.527 3.761 -10.633 1.00 42.02 H new ATOM 0 HG22 THR A 24 -8.533 3.336 -12.046 1.00 42.02 H new ATOM 0 HG23 THR A 24 -10.218 2.775 -11.944 1.00 42.02 H new ATOM 371 N ARG A 25 -7.228 -1.254 -10.778 1.00 34.55 N ATOM 372 CA ARG A 25 -7.006 -2.548 -10.153 1.00 42.43 C ATOM 373 C ARG A 25 -5.554 -2.669 -9.686 1.00 41.42 C ATOM 374 O ARG A 25 -4.645 -2.152 -10.334 1.00 3.35 O ATOM 375 CB ARG A 25 -7.319 -3.689 -11.123 1.00 50.43 C ATOM 376 CG ARG A 25 -8.455 -4.565 -10.591 1.00 1.41 C ATOM 377 CD ARG A 25 -9.706 -4.430 -11.462 1.00 65.11 C ATOM 378 NE ARG A 25 -10.298 -5.764 -11.707 1.00 23.23 N ATOM 379 CZ ARG A 25 -11.534 -5.962 -12.212 1.00 21.54 C ATOM 380 NH1 ARG A 25 -12.320 -4.913 -12.530 1.00 54.52 N ATOM 381 NH2 ARG A 25 -11.962 -7.198 -12.389 1.00 32.40 N ATOM 0 H ARG A 25 -6.378 -0.756 -11.043 1.00 34.55 H new ATOM 0 HA ARG A 25 -7.675 -2.622 -9.296 1.00 42.43 H new ATOM 0 HB2 ARG A 25 -7.595 -3.280 -12.095 1.00 50.43 H new ATOM 0 HB3 ARG A 25 -6.427 -4.297 -11.275 1.00 50.43 H new ATOM 0 HG2 ARG A 25 -8.135 -5.607 -10.567 1.00 1.41 H new ATOM 0 HG3 ARG A 25 -8.689 -4.280 -9.565 1.00 1.41 H new ATOM 0 HD2 ARG A 25 -10.434 -3.785 -10.970 1.00 65.11 H new ATOM 0 HD3 ARG A 25 -9.450 -3.957 -12.410 1.00 65.11 H new ATOM 0 HE ARG A 25 -9.737 -6.585 -11.480 1.00 23.23 H new ATOM 0 HH11 ARG A 25 -11.982 -3.961 -12.389 1.00 54.52 H new ATOM 0 HH12 ARG A 25 -13.253 -5.072 -12.911 1.00 54.52 H new ATOM 0 HH21 ARG A 25 -11.361 -7.986 -12.145 1.00 32.40 H new ATOM 0 HH22 ARG A 25 -12.893 -7.366 -12.770 1.00 32.40 H new ATOM 394 N VAL A 26 -5.381 -3.355 -8.566 1.00 15.41 N ATOM 395 CA VAL A 26 -4.056 -3.550 -8.005 1.00 25.04 C ATOM 396 C VAL A 26 -3.351 -4.682 -8.754 1.00 61.44 C ATOM 397 O VAL A 26 -3.325 -5.820 -8.286 1.00 41.43 O ATOM 398 CB VAL A 26 -4.157 -3.802 -6.499 1.00 24.22 C ATOM 399 CG1 VAL A 26 -2.770 -3.992 -5.881 1.00 31.15 C ATOM 400 CG2 VAL A 26 -4.917 -2.671 -5.803 1.00 70.25 C ATOM 0 H VAL A 26 -6.137 -3.783 -8.032 1.00 15.41 H new ATOM 0 HA VAL A 26 -3.452 -2.651 -8.131 1.00 25.04 H new ATOM 0 HB VAL A 26 -4.719 -4.724 -6.351 1.00 24.22 H new ATOM 0 HG11 VAL A 26 -2.870 -4.169 -4.810 1.00 31.15 H new ATOM 0 HG12 VAL A 26 -2.278 -4.846 -6.346 1.00 31.15 H new ATOM 0 HG13 VAL A 26 -2.172 -3.096 -6.046 1.00 31.15 H new ATOM 0 HG21 VAL A 26 -4.974 -2.875 -4.734 1.00 70.25 H new ATOM 0 HG22 VAL A 26 -4.395 -1.728 -5.965 1.00 70.25 H new ATOM 0 HG23 VAL A 26 -5.924 -2.603 -6.214 1.00 70.25 H new ATOM 410 N VAL A 27 -2.797 -4.332 -9.906 1.00 2.14 N ATOM 411 CA VAL A 27 -2.094 -5.305 -10.725 1.00 2.43 C ATOM 412 C VAL A 27 -0.587 -5.056 -10.624 1.00 75.11 C ATOM 413 O VAL A 27 -0.158 -3.958 -10.275 1.00 41.44 O ATOM 414 CB VAL A 27 -2.614 -5.251 -12.163 1.00 23.22 C ATOM 415 CG1 VAL A 27 -4.143 -5.204 -12.192 1.00 3.15 C ATOM 416 CG2 VAL A 27 -2.014 -4.064 -12.919 1.00 0.12 C ATOM 0 H VAL A 27 -2.821 -3.388 -10.291 1.00 2.14 H new ATOM 0 HA VAL A 27 -2.281 -6.316 -10.363 1.00 2.43 H new ATOM 0 HB VAL A 27 -2.298 -6.164 -12.668 1.00 23.22 H new ATOM 0 HG11 VAL A 27 -4.486 -5.166 -13.226 1.00 3.15 H new ATOM 0 HG12 VAL A 27 -4.544 -6.095 -11.709 1.00 3.15 H new ATOM 0 HG13 VAL A 27 -4.490 -4.317 -11.662 1.00 3.15 H new ATOM 0 HG21 VAL A 27 -2.400 -4.049 -13.938 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -2.285 -3.137 -12.415 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -0.928 -4.159 -12.944 1.00 0.12 H new ATOM 426 N SER A 28 0.173 -6.095 -10.936 1.00 24.04 N ATOM 427 CA SER A 28 1.623 -6.003 -10.885 1.00 33.34 C ATOM 428 C SER A 28 2.225 -6.490 -12.205 1.00 15.35 C ATOM 429 O SER A 28 1.802 -7.511 -12.745 1.00 1.33 O ATOM 430 CB SER A 28 2.185 -6.813 -9.715 1.00 31.14 C ATOM 431 OG SER A 28 3.367 -6.225 -9.178 1.00 32.33 O ATOM 0 H SER A 28 -0.187 -7.005 -11.225 1.00 24.04 H new ATOM 0 HA SER A 28 1.894 -4.958 -10.733 1.00 33.34 H new ATOM 0 HB2 SER A 28 1.431 -6.890 -8.932 1.00 31.14 H new ATOM 0 HB3 SER A 28 2.404 -7.827 -10.048 1.00 31.14 H new ATOM 0 HG SER A 28 3.694 -6.770 -8.432 1.00 32.33 H new ATOM 437 N PRO A 29 3.228 -5.715 -12.699 1.00 33.55 N ATOM 438 CA PRO A 29 3.667 -4.522 -11.996 1.00 24.22 C ATOM 439 C PRO A 29 2.659 -3.384 -12.164 1.00 41.22 C ATOM 440 O PRO A 29 1.926 -3.340 -13.151 1.00 41.10 O ATOM 441 CB PRO A 29 5.031 -4.199 -12.584 1.00 23.51 C ATOM 442 CG PRO A 29 5.101 -4.943 -13.908 1.00 52.30 C ATOM 443 CD PRO A 29 3.967 -5.955 -13.934 1.00 41.25 C ATOM 0 HA PRO A 29 3.737 -4.671 -10.918 1.00 24.22 H new ATOM 0 HB2 PRO A 29 5.148 -3.126 -12.733 1.00 23.51 H new ATOM 0 HB3 PRO A 29 5.830 -4.517 -11.915 1.00 23.51 H new ATOM 0 HG2 PRO A 29 5.011 -4.247 -14.742 1.00 52.30 H new ATOM 0 HG3 PRO A 29 6.063 -5.445 -14.014 1.00 52.30 H new ATOM 0 HD2 PRO A 29 3.332 -5.816 -14.809 1.00 41.25 H new ATOM 0 HD3 PRO A 29 4.348 -6.975 -13.976 1.00 41.25 H new ATOM 451 N THR A 30 2.655 -2.490 -11.186 1.00 34.52 N ATOM 452 CA THR A 30 1.749 -1.355 -11.213 1.00 55.13 C ATOM 453 C THR A 30 2.110 -0.412 -12.362 1.00 43.33 C ATOM 454 O THR A 30 3.208 0.142 -12.393 1.00 50.51 O ATOM 455 CB THR A 30 1.791 -0.683 -9.839 1.00 52.04 C ATOM 456 OG1 THR A 30 3.177 -0.647 -9.513 1.00 44.42 O ATOM 457 CG2 THR A 30 1.173 -1.553 -8.743 1.00 12.11 C ATOM 0 H THR A 30 3.265 -2.529 -10.370 1.00 34.52 H new ATOM 0 HA THR A 30 0.724 -1.672 -11.404 1.00 55.13 H new ATOM 0 HB THR A 30 1.265 0.271 -9.885 1.00 52.04 H new ATOM 0 HG1 THR A 30 3.681 -0.280 -10.269 1.00 44.42 H new ATOM 0 HG21 THR A 30 1.228 -1.030 -7.788 1.00 12.11 H new ATOM 0 HG22 THR A 30 0.130 -1.757 -8.985 1.00 12.11 H new ATOM 0 HG23 THR A 30 1.720 -2.493 -8.673 1.00 12.11 H new ATOM 465 N GLY A 31 1.166 -0.259 -13.279 1.00 43.52 N ATOM 466 CA GLY A 31 1.372 0.608 -14.427 1.00 52.04 C ATOM 467 C GLY A 31 0.779 1.997 -14.179 1.00 60.44 C ATOM 468 O GLY A 31 0.724 2.458 -13.040 1.00 63.24 O ATOM 0 H GLY A 31 0.257 -0.721 -13.250 1.00 43.52 H new ATOM 0 HA2 GLY A 31 2.439 0.696 -14.634 1.00 52.04 H new ATOM 0 HA3 GLY A 31 0.911 0.164 -15.310 1.00 52.04 H new ATOM 472 N ILE A 32 0.350 2.624 -15.264 1.00 40.25 N ATOM 473 CA ILE A 32 -0.237 3.951 -15.179 1.00 64.21 C ATOM 474 C ILE A 32 -1.145 4.024 -13.950 1.00 70.11 C ATOM 475 O ILE A 32 -1.833 3.058 -13.624 1.00 24.34 O ATOM 476 CB ILE A 32 -0.943 4.310 -16.488 1.00 61.40 C ATOM 477 CG1 ILE A 32 0.053 4.380 -17.647 1.00 63.32 C ATOM 478 CG2 ILE A 32 -1.744 5.605 -16.342 1.00 30.15 C ATOM 479 CD1 ILE A 32 -0.674 4.441 -18.992 1.00 62.00 C ATOM 0 H ILE A 32 0.397 2.238 -16.207 1.00 40.25 H new ATOM 0 HA ILE A 32 0.540 4.704 -15.047 1.00 64.21 H new ATOM 0 HB ILE A 32 -1.653 3.517 -16.721 1.00 61.40 H new ATOM 0 HG12 ILE A 32 0.688 5.258 -17.533 1.00 63.32 H new ATOM 0 HG13 ILE A 32 0.707 3.508 -17.622 1.00 63.32 H new ATOM 0 HG21 ILE A 32 -2.236 5.837 -17.287 1.00 30.15 H new ATOM 0 HG22 ILE A 32 -2.496 5.482 -15.562 1.00 30.15 H new ATOM 0 HG23 ILE A 32 -1.072 6.420 -16.073 1.00 30.15 H new ATOM 0 HD11 ILE A 32 0.057 4.490 -19.799 1.00 62.00 H new ATOM 0 HD12 ILE A 32 -1.289 3.550 -19.114 1.00 62.00 H new ATOM 0 HD13 ILE A 32 -1.308 5.327 -19.023 1.00 62.00 H new ATOM 491 N PRO A 33 -1.118 5.210 -13.285 1.00 24.32 N ATOM 492 CA PRO A 33 -1.930 5.421 -12.099 1.00 11.51 C ATOM 493 C PRO A 33 -3.400 5.624 -12.471 1.00 13.44 C ATOM 494 O PRO A 33 -3.707 6.137 -13.546 1.00 15.45 O ATOM 495 CB PRO A 33 -1.318 6.632 -11.414 1.00 1.32 C ATOM 496 CG PRO A 33 -0.482 7.332 -12.473 1.00 12.40 C ATOM 497 CD PRO A 33 -0.315 6.376 -13.642 1.00 74.05 C ATOM 0 HA PRO A 33 -1.931 4.560 -11.431 1.00 11.51 H new ATOM 0 HB2 PRO A 33 -2.092 7.294 -11.027 1.00 1.32 H new ATOM 0 HB3 PRO A 33 -0.702 6.331 -10.566 1.00 1.32 H new ATOM 0 HG2 PRO A 33 -0.970 8.251 -12.798 1.00 12.40 H new ATOM 0 HG3 PRO A 33 0.490 7.613 -12.068 1.00 12.40 H new ATOM 0 HD2 PRO A 33 -0.661 6.825 -14.573 1.00 74.05 H new ATOM 0 HD3 PRO A 33 0.731 6.107 -13.787 1.00 74.05 H new ATOM 505 N ALA A 34 -4.270 5.211 -11.560 1.00 51.45 N ATOM 506 CA ALA A 34 -5.701 5.342 -11.779 1.00 63.40 C ATOM 507 C ALA A 34 -6.065 6.825 -11.871 1.00 34.44 C ATOM 508 O ALA A 34 -7.168 7.172 -12.291 1.00 61.44 O ATOM 509 CB ALA A 34 -6.456 4.624 -10.659 1.00 22.53 C ATOM 0 H ALA A 34 -4.012 4.786 -10.670 1.00 51.45 H new ATOM 0 HA ALA A 34 -5.990 4.873 -12.720 1.00 63.40 H new ATOM 0 HB1 ALA A 34 -7.529 4.722 -10.823 1.00 22.53 H new ATOM 0 HB2 ALA A 34 -6.184 3.568 -10.656 1.00 22.53 H new ATOM 0 HB3 ALA A 34 -6.193 5.069 -9.699 1.00 22.53 H new ATOM 515 N GLU A 35 -5.118 7.660 -11.470 1.00 33.13 N ATOM 516 CA GLU A 35 -5.326 9.098 -11.501 1.00 70.32 C ATOM 517 C GLU A 35 -5.100 9.636 -12.916 1.00 32.25 C ATOM 518 O GLU A 35 -5.424 10.786 -13.205 1.00 15.51 O ATOM 519 CB GLU A 35 -4.417 9.805 -10.494 1.00 14.21 C ATOM 520 CG GLU A 35 -2.985 9.906 -11.023 1.00 74.52 C ATOM 521 CD GLU A 35 -1.975 9.904 -9.874 1.00 61.34 C ATOM 522 OE1 GLU A 35 -1.319 8.881 -9.627 1.00 34.50 O ATOM 523 OE2 GLU A 35 -1.882 11.016 -9.228 1.00 43.44 O ATOM 0 H GLU A 35 -4.205 7.369 -11.122 1.00 33.13 H new ATOM 0 HA GLU A 35 -6.358 9.303 -11.216 1.00 70.32 H new ATOM 0 HB2 GLU A 35 -4.804 10.803 -10.288 1.00 14.21 H new ATOM 0 HB3 GLU A 35 -4.422 9.261 -9.550 1.00 14.21 H new ATOM 0 HG2 GLU A 35 -2.781 9.071 -11.693 1.00 74.52 H new ATOM 0 HG3 GLU A 35 -2.873 10.819 -11.609 1.00 74.52 H new ATOM 531 N ASP A 36 -4.546 8.778 -13.759 1.00 64.22 N ATOM 532 CA ASP A 36 -4.273 9.153 -15.136 1.00 64.43 C ATOM 533 C ASP A 36 -5.400 8.638 -16.033 1.00 54.43 C ATOM 534 O ASP A 36 -5.407 8.894 -17.237 1.00 24.34 O ATOM 535 CB ASP A 36 -2.961 8.535 -15.625 1.00 41.43 C ATOM 536 CG ASP A 36 -1.696 9.288 -15.207 1.00 15.40 C ATOM 537 OD1 ASP A 36 -0.638 9.160 -15.840 1.00 1.12 O ATOM 538 OD2 ASP A 36 -1.830 10.044 -14.170 1.00 23.43 O ATOM 0 H ASP A 36 -4.279 7.824 -13.515 1.00 64.22 H new ATOM 0 HA ASP A 36 -4.200 10.240 -15.181 1.00 64.43 H new ATOM 0 HB2 ASP A 36 -2.897 7.513 -15.252 1.00 41.43 H new ATOM 0 HB3 ASP A 36 -2.988 8.476 -16.713 1.00 41.43 H new ATOM 544 N ILE A 37 -6.327 7.923 -15.413 1.00 55.51 N ATOM 545 CA ILE A 37 -7.458 7.371 -16.140 1.00 43.23 C ATOM 546 C ILE A 37 -8.149 8.488 -16.924 1.00 15.50 C ATOM 547 O ILE A 37 -8.420 8.341 -18.115 1.00 33.34 O ATOM 548 CB ILE A 37 -8.391 6.618 -15.189 1.00 45.45 C ATOM 549 CG1 ILE A 37 -8.021 5.135 -15.119 1.00 51.30 C ATOM 550 CG2 ILE A 37 -9.855 6.826 -15.580 1.00 13.44 C ATOM 551 CD1 ILE A 37 -9.165 4.313 -14.523 1.00 34.00 C ATOM 0 H ILE A 37 -6.318 7.713 -14.415 1.00 55.51 H new ATOM 0 HA ILE A 37 -7.120 6.633 -16.867 1.00 43.23 H new ATOM 0 HB ILE A 37 -8.264 7.029 -14.188 1.00 45.45 H new ATOM 0 HG12 ILE A 37 -7.786 4.767 -16.118 1.00 51.30 H new ATOM 0 HG13 ILE A 37 -7.123 5.008 -14.514 1.00 51.30 H new ATOM 0 HG21 ILE A 37 -10.497 6.281 -14.889 1.00 13.44 H new ATOM 0 HG22 ILE A 37 -10.096 7.888 -15.537 1.00 13.44 H new ATOM 0 HG23 ILE A 37 -10.017 6.458 -16.593 1.00 13.44 H new ATOM 0 HD11 ILE A 37 -8.877 3.263 -14.484 1.00 34.00 H new ATOM 0 HD12 ILE A 37 -9.381 4.667 -13.515 1.00 34.00 H new ATOM 0 HD13 ILE A 37 -10.054 4.423 -15.144 1.00 34.00 H new ATOM 563 N PRO A 38 -8.423 9.610 -16.205 1.00 43.45 N ATOM 564 CA PRO A 38 -9.078 10.752 -16.821 1.00 4.23 C ATOM 565 C PRO A 38 -8.108 11.522 -17.719 1.00 42.14 C ATOM 566 O PRO A 38 -8.515 12.425 -18.449 1.00 33.23 O ATOM 567 CB PRO A 38 -9.596 11.582 -15.658 1.00 0.24 C ATOM 568 CG PRO A 38 -8.815 11.123 -14.437 1.00 70.11 C ATOM 569 CD PRO A 38 -8.116 9.821 -14.794 1.00 34.15 C ATOM 0 HA PRO A 38 -9.895 10.462 -17.482 1.00 4.23 H new ATOM 0 HB2 PRO A 38 -9.446 12.646 -15.840 1.00 0.24 H new ATOM 0 HB3 PRO A 38 -10.666 11.431 -15.517 1.00 0.24 H new ATOM 0 HG2 PRO A 38 -8.087 11.879 -14.143 1.00 70.11 H new ATOM 0 HG3 PRO A 38 -9.484 10.977 -13.589 1.00 70.11 H new ATOM 0 HD2 PRO A 38 -7.041 9.891 -14.629 1.00 34.15 H new ATOM 0 HD3 PRO A 38 -8.480 8.996 -14.182 1.00 34.15 H new ATOM 577 N ARG A 39 -6.843 11.137 -17.637 1.00 62.25 N ATOM 578 CA ARG A 39 -5.812 11.779 -18.434 1.00 44.54 C ATOM 579 C ARG A 39 -5.526 10.960 -19.694 1.00 74.34 C ATOM 580 O ARG A 39 -4.928 11.462 -20.644 1.00 40.41 O ATOM 581 CB ARG A 39 -4.517 11.940 -17.635 1.00 32.44 C ATOM 582 CG ARG A 39 -4.779 12.650 -16.305 1.00 24.11 C ATOM 583 CD ARG A 39 -3.474 12.877 -15.539 1.00 3.21 C ATOM 584 NE ARG A 39 -2.548 13.700 -16.349 1.00 13.51 N ATOM 585 CZ ARG A 39 -1.674 13.196 -17.245 1.00 43.22 C ATOM 586 NH1 ARG A 39 -1.598 11.865 -17.454 1.00 71.42 N ATOM 587 NH2 ARG A 39 -0.894 14.025 -17.914 1.00 64.41 N ATOM 0 H ARG A 39 -6.509 10.388 -17.030 1.00 62.25 H new ATOM 0 HA ARG A 39 -6.178 12.767 -18.714 1.00 44.54 H new ATOM 0 HB2 ARG A 39 -4.076 10.961 -17.448 1.00 32.44 H new ATOM 0 HB3 ARG A 39 -3.793 12.509 -18.219 1.00 32.44 H new ATOM 0 HG2 ARG A 39 -5.268 13.607 -16.489 1.00 24.11 H new ATOM 0 HG3 ARG A 39 -5.462 12.055 -15.699 1.00 24.11 H new ATOM 0 HD2 ARG A 39 -3.681 13.374 -14.591 1.00 3.21 H new ATOM 0 HD3 ARG A 39 -3.010 11.919 -15.302 1.00 3.21 H new ATOM 0 HE ARG A 39 -2.572 14.712 -16.222 1.00 13.51 H new ATOM 0 HH11 ARG A 39 -2.204 11.231 -16.933 1.00 71.42 H new ATOM 0 HH12 ARG A 39 -0.934 11.492 -18.133 1.00 71.42 H new ATOM 0 HH21 ARG A 39 -0.958 15.030 -17.750 1.00 64.41 H new ATOM 0 HH22 ARG A 39 -0.228 13.661 -18.595 1.00 64.41 H new ATOM 600 N LEU A 40 -5.968 9.711 -19.662 1.00 13.01 N ATOM 601 CA LEU A 40 -5.768 8.817 -20.790 1.00 30.35 C ATOM 602 C LEU A 40 -6.927 8.979 -21.776 1.00 4.04 C ATOM 603 O LEU A 40 -6.784 8.682 -22.961 1.00 20.03 O ATOM 604 CB LEU A 40 -5.570 7.379 -20.305 1.00 1.23 C ATOM 605 CG LEU A 40 -4.311 7.119 -19.474 1.00 74.25 C ATOM 606 CD1 LEU A 40 -4.461 5.848 -18.636 1.00 61.10 C ATOM 607 CD2 LEU A 40 -3.067 7.076 -20.364 1.00 31.32 C ATOM 0 H LEU A 40 -6.464 9.297 -18.873 1.00 13.01 H new ATOM 0 HA LEU A 40 -4.855 9.078 -21.325 1.00 30.35 H new ATOM 0 HB2 LEU A 40 -6.439 7.094 -19.711 1.00 1.23 H new ATOM 0 HB3 LEU A 40 -5.549 6.723 -21.175 1.00 1.23 H new ATOM 0 HG LEU A 40 -4.181 7.949 -18.779 1.00 74.25 H new ATOM 0 HD11 LEU A 40 -3.553 5.686 -18.055 1.00 61.10 H new ATOM 0 HD12 LEU A 40 -5.310 5.956 -17.960 1.00 61.10 H new ATOM 0 HD13 LEU A 40 -4.627 4.996 -19.295 1.00 61.10 H new ATOM 0 HD21 LEU A 40 -2.186 6.890 -19.749 1.00 31.32 H new ATOM 0 HD22 LEU A 40 -3.172 6.277 -21.098 1.00 31.32 H new ATOM 0 HD23 LEU A 40 -2.955 8.030 -20.879 1.00 31.32 H new ATOM 619 N ILE A 41 -8.048 9.450 -21.250 1.00 3.03 N ATOM 620 CA ILE A 41 -9.230 9.655 -22.069 1.00 12.42 C ATOM 621 C ILE A 41 -8.880 10.575 -23.241 1.00 30.52 C ATOM 622 O ILE A 41 -8.205 11.587 -23.060 1.00 54.01 O ATOM 623 CB ILE A 41 -10.392 10.164 -21.214 1.00 14.51 C ATOM 624 CG1 ILE A 41 -10.615 9.263 -19.998 1.00 61.41 C ATOM 625 CG2 ILE A 41 -11.663 10.320 -22.052 1.00 42.03 C ATOM 626 CD1 ILE A 41 -12.051 9.381 -19.483 1.00 62.43 C ATOM 0 H ILE A 41 -8.163 9.695 -20.267 1.00 3.03 H new ATOM 0 HA ILE A 41 -9.567 8.710 -22.495 1.00 12.42 H new ATOM 0 HB ILE A 41 -10.130 11.153 -20.838 1.00 14.51 H new ATOM 0 HG12 ILE A 41 -10.405 8.227 -20.265 1.00 61.41 H new ATOM 0 HG13 ILE A 41 -9.917 9.536 -19.206 1.00 61.41 H new ATOM 0 HG21 ILE A 41 -12.473 10.683 -21.420 1.00 42.03 H new ATOM 0 HG22 ILE A 41 -11.483 11.033 -22.857 1.00 42.03 H new ATOM 0 HG23 ILE A 41 -11.939 9.355 -22.477 1.00 42.03 H new ATOM 0 HD11 ILE A 41 -12.182 8.730 -18.618 1.00 62.43 H new ATOM 0 HD12 ILE A 41 -12.250 10.413 -19.194 1.00 62.43 H new ATOM 0 HD13 ILE A 41 -12.745 9.084 -20.269 1.00 62.43 H new ATOM 638 N SER A 42 -9.354 10.189 -24.416 1.00 75.31 N ATOM 639 CA SER A 42 -9.100 10.965 -25.617 1.00 50.45 C ATOM 640 C SER A 42 -7.746 10.577 -26.215 1.00 1.14 C ATOM 641 O SER A 42 -7.425 10.963 -27.338 1.00 10.04 O ATOM 642 CB SER A 42 -9.139 12.466 -25.322 1.00 20.04 C ATOM 643 OG SER A 42 -9.567 13.222 -26.451 1.00 71.12 O ATOM 0 H SER A 42 -9.913 9.348 -24.562 1.00 75.31 H new ATOM 0 HA SER A 42 -9.886 10.743 -26.339 1.00 50.45 H new ATOM 0 HB2 SER A 42 -9.811 12.653 -24.485 1.00 20.04 H new ATOM 0 HB3 SER A 42 -8.148 12.801 -25.016 1.00 20.04 H new ATOM 0 HG SER A 42 -9.580 14.175 -26.221 1.00 71.12 H new ATOM 649 N MET A 43 -6.988 9.818 -25.437 1.00 0.21 N ATOM 650 CA MET A 43 -5.676 9.373 -25.875 1.00 2.42 C ATOM 651 C MET A 43 -5.725 7.927 -26.371 1.00 24.21 C ATOM 652 O MET A 43 -6.267 7.053 -25.696 1.00 10.21 O ATOM 653 CB MET A 43 -4.686 9.482 -24.713 1.00 60.22 C ATOM 654 CG MET A 43 -4.877 10.795 -23.951 1.00 22.40 C ATOM 655 SD MET A 43 -3.302 11.391 -23.359 1.00 12.14 S ATOM 656 CE MET A 43 -2.566 9.853 -22.831 1.00 75.32 C ATOM 0 H MET A 43 -7.257 9.500 -24.506 1.00 0.21 H new ATOM 0 HA MET A 43 -5.353 10.009 -26.699 1.00 2.42 H new ATOM 0 HB2 MET A 43 -4.823 8.640 -24.034 1.00 60.22 H new ATOM 0 HB3 MET A 43 -3.666 9.423 -25.093 1.00 60.22 H new ATOM 0 HG2 MET A 43 -5.336 11.539 -24.602 1.00 22.40 H new ATOM 0 HG3 MET A 43 -5.556 10.643 -23.112 1.00 22.40 H new ATOM 0 HE1 MET A 43 -2.026 10.010 -21.897 1.00 75.32 H new ATOM 0 HE2 MET A 43 -3.348 9.109 -22.678 1.00 75.32 H new ATOM 0 HE3 MET A 43 -1.874 9.500 -23.595 1.00 75.32 H new ATOM 666 N GLN A 44 -5.150 7.718 -27.547 1.00 14.54 N ATOM 667 CA GLN A 44 -5.122 6.393 -28.141 1.00 24.20 C ATOM 668 C GLN A 44 -3.849 5.652 -27.724 1.00 74.14 C ATOM 669 O GLN A 44 -2.803 6.269 -27.530 1.00 70.43 O ATOM 670 CB GLN A 44 -5.236 6.473 -29.665 1.00 23.54 C ATOM 671 CG GLN A 44 -6.317 7.472 -30.082 1.00 63.50 C ATOM 672 CD GLN A 44 -6.159 7.868 -31.552 1.00 32.35 C ATOM 673 OE1 GLN A 44 -5.763 8.973 -31.884 1.00 71.43 O ATOM 674 NE2 GLN A 44 -6.490 6.907 -32.409 1.00 72.33 N ATOM 0 H GLN A 44 -4.700 8.445 -28.104 1.00 14.54 H new ATOM 0 HA GLN A 44 -5.982 5.833 -27.774 1.00 24.20 H new ATOM 0 HB2 GLN A 44 -4.277 6.771 -30.090 1.00 23.54 H new ATOM 0 HB3 GLN A 44 -5.471 5.488 -30.068 1.00 23.54 H new ATOM 0 HG2 GLN A 44 -7.303 7.034 -29.923 1.00 63.50 H new ATOM 0 HG3 GLN A 44 -6.258 8.361 -29.454 1.00 63.50 H new ATOM 0 HE21 GLN A 44 -6.814 6.004 -32.062 1.00 72.33 H new ATOM 0 HE22 GLN A 44 -6.419 7.073 -33.413 1.00 72.33 H new ATOM 683 N VAL A 45 -3.981 4.340 -27.599 1.00 73.54 N ATOM 684 CA VAL A 45 -2.855 3.508 -27.209 1.00 52.04 C ATOM 685 C VAL A 45 -1.915 3.337 -28.404 1.00 74.35 C ATOM 686 O VAL A 45 -2.351 3.389 -29.554 1.00 3.23 O ATOM 687 CB VAL A 45 -3.358 2.176 -26.648 1.00 43.32 C ATOM 688 CG1 VAL A 45 -3.967 2.362 -25.257 1.00 51.53 C ATOM 689 CG2 VAL A 45 -4.359 1.522 -27.603 1.00 2.05 C ATOM 0 H VAL A 45 -4.851 3.832 -27.761 1.00 73.54 H new ATOM 0 HA VAL A 45 -2.285 3.986 -26.413 1.00 52.04 H new ATOM 0 HB VAL A 45 -2.502 1.508 -26.552 1.00 43.32 H new ATOM 0 HG11 VAL A 45 -4.317 1.400 -24.881 1.00 51.53 H new ATOM 0 HG12 VAL A 45 -3.213 2.763 -24.580 1.00 51.53 H new ATOM 0 HG13 VAL A 45 -4.806 3.055 -25.317 1.00 51.53 H new ATOM 0 HG21 VAL A 45 -4.701 0.577 -27.181 1.00 2.05 H new ATOM 0 HG22 VAL A 45 -5.212 2.185 -27.746 1.00 2.05 H new ATOM 0 HG23 VAL A 45 -3.878 1.337 -28.564 1.00 2.05 H new ATOM 699 N ASN A 46 -0.644 3.135 -28.092 1.00 44.22 N ATOM 700 CA ASN A 46 0.361 2.956 -29.126 1.00 65.21 C ATOM 701 C ASN A 46 0.707 1.470 -29.243 1.00 71.11 C ATOM 702 O ASN A 46 1.835 1.116 -29.581 1.00 44.14 O ATOM 703 CB ASN A 46 1.645 3.714 -28.784 1.00 3.14 C ATOM 704 CG ASN A 46 2.254 3.200 -27.478 1.00 22.24 C ATOM 705 OD1 ASN A 46 2.578 2.033 -27.331 1.00 35.44 O ATOM 706 ND2 ASN A 46 2.392 4.133 -26.540 1.00 52.24 N ATOM 0 H ASN A 46 -0.287 3.091 -27.138 1.00 44.22 H new ATOM 0 HA ASN A 46 -0.046 3.340 -30.061 1.00 65.21 H new ATOM 0 HB2 ASN A 46 2.365 3.601 -29.594 1.00 3.14 H new ATOM 0 HB3 ASN A 46 1.430 4.779 -28.695 1.00 3.14 H new ATOM 0 HD21 ASN A 46 2.789 3.889 -25.633 1.00 52.24 H new ATOM 0 HD22 ASN A 46 2.100 5.092 -26.728 1.00 52.24 H new ATOM 713 N GLN A 47 -0.285 0.640 -28.957 1.00 14.12 N ATOM 714 CA GLN A 47 -0.101 -0.799 -29.026 1.00 23.54 C ATOM 715 C GLN A 47 -1.406 -1.519 -28.682 1.00 33.23 C ATOM 716 O GLN A 47 -2.292 -0.940 -28.054 1.00 62.22 O ATOM 717 CB GLN A 47 1.034 -1.251 -28.104 1.00 33.41 C ATOM 718 CG GLN A 47 0.960 -2.757 -27.841 1.00 41.13 C ATOM 719 CD GLN A 47 2.108 -3.213 -26.939 1.00 5.22 C ATOM 720 OE1 GLN A 47 2.830 -4.151 -27.235 1.00 1.01 O ATOM 721 NE2 GLN A 47 2.237 -2.499 -25.824 1.00 51.52 N ATOM 0 H GLN A 47 -1.220 0.937 -28.677 1.00 14.12 H new ATOM 0 HA GLN A 47 0.177 -1.061 -30.047 1.00 23.54 H new ATOM 0 HB2 GLN A 47 1.995 -1.004 -28.556 1.00 33.41 H new ATOM 0 HB3 GLN A 47 0.977 -0.710 -27.159 1.00 33.41 H new ATOM 0 HG2 GLN A 47 0.006 -3.002 -27.373 1.00 41.13 H new ATOM 0 HG3 GLN A 47 0.999 -3.297 -28.787 1.00 41.13 H new ATOM 0 HE21 GLN A 47 1.599 -1.726 -25.637 1.00 51.52 H new ATOM 0 HE22 GLN A 47 2.974 -2.725 -25.156 1.00 51.52 H new ATOM 730 N VAL A 48 -1.484 -2.771 -29.108 1.00 35.33 N ATOM 731 CA VAL A 48 -2.667 -3.576 -28.853 1.00 31.23 C ATOM 732 C VAL A 48 -2.643 -4.066 -27.403 1.00 43.43 C ATOM 733 O VAL A 48 -1.859 -4.948 -27.055 1.00 54.14 O ATOM 734 CB VAL A 48 -2.752 -4.718 -29.868 1.00 11.22 C ATOM 735 CG1 VAL A 48 -3.522 -5.908 -29.292 1.00 10.34 C ATOM 736 CG2 VAL A 48 -3.381 -4.240 -31.178 1.00 61.34 C ATOM 0 H VAL A 48 -0.747 -3.248 -29.628 1.00 35.33 H new ATOM 0 HA VAL A 48 -3.570 -2.978 -28.980 1.00 31.23 H new ATOM 0 HB VAL A 48 -1.737 -5.050 -30.085 1.00 11.22 H new ATOM 0 HG11 VAL A 48 -3.568 -6.705 -30.034 1.00 10.34 H new ATOM 0 HG12 VAL A 48 -3.014 -6.272 -28.399 1.00 10.34 H new ATOM 0 HG13 VAL A 48 -4.534 -5.596 -29.033 1.00 10.34 H new ATOM 0 HG21 VAL A 48 -3.430 -5.070 -31.882 1.00 61.34 H new ATOM 0 HG22 VAL A 48 -4.387 -3.869 -30.984 1.00 61.34 H new ATOM 0 HG23 VAL A 48 -2.775 -3.440 -31.602 1.00 61.34 H new ATOM 746 N VAL A 49 -3.510 -3.471 -26.597 1.00 30.40 N ATOM 747 CA VAL A 49 -3.598 -3.836 -25.193 1.00 41.11 C ATOM 748 C VAL A 49 -4.917 -4.569 -24.943 1.00 30.43 C ATOM 749 O VAL A 49 -5.992 -3.991 -25.094 1.00 43.40 O ATOM 750 CB VAL A 49 -3.430 -2.592 -24.318 1.00 60.11 C ATOM 751 CG1 VAL A 49 -3.729 -1.319 -25.112 1.00 44.20 C ATOM 752 CG2 VAL A 49 -4.309 -2.678 -23.069 1.00 22.14 C ATOM 0 H VAL A 49 -4.158 -2.739 -26.889 1.00 30.40 H new ATOM 0 HA VAL A 49 -2.791 -4.518 -24.924 1.00 41.11 H new ATOM 0 HB VAL A 49 -2.390 -2.548 -23.994 1.00 60.11 H new ATOM 0 HG11 VAL A 49 -3.602 -0.450 -24.467 1.00 44.20 H new ATOM 0 HG12 VAL A 49 -3.043 -1.247 -25.956 1.00 44.20 H new ATOM 0 HG13 VAL A 49 -4.755 -1.352 -25.479 1.00 44.20 H new ATOM 0 HG21 VAL A 49 -4.171 -1.782 -22.464 1.00 22.14 H new ATOM 0 HG22 VAL A 49 -5.355 -2.758 -23.365 1.00 22.14 H new ATOM 0 HG23 VAL A 49 -4.028 -3.555 -22.486 1.00 22.14 H new ATOM 762 N PRO A 50 -4.789 -5.866 -24.554 1.00 23.33 N ATOM 763 CA PRO A 50 -5.958 -6.685 -24.281 1.00 4.11 C ATOM 764 C PRO A 50 -6.589 -6.309 -22.939 1.00 54.21 C ATOM 765 O PRO A 50 -5.967 -5.629 -22.125 1.00 22.25 O ATOM 766 CB PRO A 50 -5.452 -8.118 -24.319 1.00 1.25 C ATOM 767 CG PRO A 50 -3.944 -8.032 -24.149 1.00 23.10 C ATOM 768 CD PRO A 50 -3.532 -6.585 -24.364 1.00 50.11 C ATOM 0 HA PRO A 50 -6.754 -6.539 -25.011 1.00 4.11 H new ATOM 0 HB2 PRO A 50 -5.901 -8.712 -23.523 1.00 1.25 H new ATOM 0 HB3 PRO A 50 -5.712 -8.599 -25.262 1.00 1.25 H new ATOM 0 HG2 PRO A 50 -3.652 -8.368 -23.154 1.00 23.10 H new ATOM 0 HG3 PRO A 50 -3.442 -8.682 -24.865 1.00 23.10 H new ATOM 0 HD2 PRO A 50 -2.981 -6.199 -23.507 1.00 50.11 H new ATOM 0 HD3 PRO A 50 -2.882 -6.483 -25.233 1.00 50.11 H new ATOM 776 N MET A 51 -7.818 -6.767 -22.751 1.00 30.54 N ATOM 777 CA MET A 51 -8.541 -6.488 -21.522 1.00 1.15 C ATOM 778 C MET A 51 -7.848 -7.132 -20.319 1.00 71.52 C ATOM 779 O MET A 51 -7.623 -8.342 -20.302 1.00 55.34 O ATOM 780 CB MET A 51 -9.969 -7.024 -21.636 1.00 32.11 C ATOM 781 CG MET A 51 -10.737 -6.823 -20.328 1.00 2.23 C ATOM 782 SD MET A 51 -12.113 -7.957 -20.247 1.00 11.52 S ATOM 783 CE MET A 51 -13.050 -7.409 -21.664 1.00 44.23 C ATOM 0 H MET A 51 -8.331 -7.330 -23.429 1.00 30.54 H new ATOM 0 HA MET A 51 -8.560 -5.409 -21.371 1.00 1.15 H new ATOM 0 HB2 MET A 51 -10.488 -6.515 -22.448 1.00 32.11 H new ATOM 0 HB3 MET A 51 -9.944 -8.084 -21.888 1.00 32.11 H new ATOM 0 HG2 MET A 51 -10.073 -6.983 -19.479 1.00 2.23 H new ATOM 0 HG3 MET A 51 -11.097 -5.796 -20.262 1.00 2.23 H new ATOM 0 HE1 MET A 51 -13.893 -8.081 -21.825 1.00 44.23 H new ATOM 0 HE2 MET A 51 -13.420 -6.399 -21.487 1.00 44.23 H new ATOM 0 HE3 MET A 51 -12.410 -7.412 -22.546 1.00 44.23 H new ATOM 793 N GLY A 52 -7.529 -6.296 -19.342 1.00 62.33 N ATOM 794 CA GLY A 52 -6.866 -6.769 -18.139 1.00 32.42 C ATOM 795 C GLY A 52 -5.378 -6.416 -18.158 1.00 24.25 C ATOM 796 O GLY A 52 -4.712 -6.463 -17.124 1.00 41.22 O ATOM 0 H GLY A 52 -7.717 -5.294 -19.359 1.00 62.33 H new ATOM 0 HA2 GLY A 52 -7.337 -6.326 -17.262 1.00 32.42 H new ATOM 0 HA3 GLY A 52 -6.986 -7.849 -18.054 1.00 32.42 H new ATOM 800 N THR A 53 -4.899 -6.071 -19.344 1.00 1.23 N ATOM 801 CA THR A 53 -3.501 -5.710 -19.511 1.00 14.25 C ATOM 802 C THR A 53 -3.235 -4.324 -18.921 1.00 4.43 C ATOM 803 O THR A 53 -3.749 -3.324 -19.419 1.00 11.51 O ATOM 804 CB THR A 53 -3.161 -5.813 -20.999 1.00 2.15 C ATOM 805 OG1 THR A 53 -3.170 -7.214 -21.261 1.00 14.54 O ATOM 806 CG2 THR A 53 -1.723 -5.387 -21.301 1.00 63.10 C ATOM 0 H THR A 53 -5.454 -6.034 -20.199 1.00 1.23 H new ATOM 0 HA THR A 53 -2.848 -6.392 -18.966 1.00 14.25 H new ATOM 0 HB THR A 53 -3.851 -5.195 -21.573 1.00 2.15 H new ATOM 0 HG1 THR A 53 -2.347 -7.464 -21.731 1.00 14.54 H new ATOM 0 HG21 THR A 53 -1.533 -5.479 -22.370 1.00 63.10 H new ATOM 0 HG22 THR A 53 -1.578 -4.351 -20.995 1.00 63.10 H new ATOM 0 HG23 THR A 53 -1.031 -6.027 -20.754 1.00 63.10 H new ATOM 814 N THR A 54 -2.431 -4.308 -17.868 1.00 23.43 N ATOM 815 CA THR A 54 -2.089 -3.061 -17.205 1.00 33.33 C ATOM 816 C THR A 54 -1.630 -2.021 -18.228 1.00 61.45 C ATOM 817 O THR A 54 -0.840 -2.329 -19.120 1.00 75.41 O ATOM 818 CB THR A 54 -1.039 -3.367 -16.135 1.00 44.33 C ATOM 819 OG1 THR A 54 -1.534 -4.534 -15.485 1.00 40.11 O ATOM 820 CG2 THR A 54 -1.005 -2.310 -15.029 1.00 64.12 C ATOM 0 H THR A 54 -2.006 -5.139 -17.457 1.00 23.43 H new ATOM 0 HA THR A 54 -2.958 -2.624 -16.713 1.00 33.33 H new ATOM 0 HB THR A 54 -0.056 -3.437 -16.601 1.00 44.33 H new ATOM 0 HG1 THR A 54 -0.782 -5.068 -15.153 1.00 40.11 H new ATOM 0 HG21 THR A 54 -0.243 -2.575 -14.296 1.00 64.12 H new ATOM 0 HG22 THR A 54 -0.769 -1.338 -15.462 1.00 64.12 H new ATOM 0 HG23 THR A 54 -1.978 -2.263 -14.540 1.00 64.12 H new ATOM 828 N LEU A 55 -2.144 -0.811 -18.066 1.00 61.13 N ATOM 829 CA LEU A 55 -1.796 0.276 -18.965 1.00 53.24 C ATOM 830 C LEU A 55 -0.447 0.865 -18.549 1.00 64.43 C ATOM 831 O LEU A 55 -0.165 1.002 -17.360 1.00 33.42 O ATOM 832 CB LEU A 55 -2.926 1.307 -19.021 1.00 64.02 C ATOM 833 CG LEU A 55 -3.794 1.283 -20.280 1.00 74.55 C ATOM 834 CD1 LEU A 55 -4.724 2.497 -20.329 1.00 31.42 C ATOM 835 CD2 LEU A 55 -2.932 1.170 -21.539 1.00 51.44 C ATOM 0 H LEU A 55 -2.799 -0.559 -17.326 1.00 61.13 H new ATOM 0 HA LEU A 55 -1.682 -0.094 -19.984 1.00 53.24 H new ATOM 0 HB2 LEU A 55 -3.572 1.156 -18.156 1.00 64.02 H new ATOM 0 HB3 LEU A 55 -2.489 2.301 -18.924 1.00 64.02 H new ATOM 0 HG LEU A 55 -4.426 0.395 -20.242 1.00 74.55 H new ATOM 0 HD11 LEU A 55 -5.330 2.455 -21.234 1.00 31.42 H new ATOM 0 HD12 LEU A 55 -5.376 2.491 -19.455 1.00 31.42 H new ATOM 0 HD13 LEU A 55 -4.130 3.411 -20.332 1.00 31.42 H new ATOM 0 HD21 LEU A 55 -3.574 1.155 -22.420 1.00 51.44 H new ATOM 0 HD22 LEU A 55 -2.258 2.024 -21.596 1.00 51.44 H new ATOM 0 HD23 LEU A 55 -2.349 0.250 -21.499 1.00 51.44 H new ATOM 847 N MET A 56 0.353 1.197 -19.553 1.00 34.45 N ATOM 848 CA MET A 56 1.666 1.767 -19.306 1.00 10.12 C ATOM 849 C MET A 56 1.770 3.177 -19.890 1.00 50.24 C ATOM 850 O MET A 56 0.995 3.547 -20.771 1.00 34.22 O ATOM 851 CB MET A 56 2.737 0.873 -19.934 1.00 41.42 C ATOM 852 CG MET A 56 2.860 -0.450 -19.177 1.00 21.33 C ATOM 853 SD MET A 56 4.262 -0.394 -18.073 1.00 15.14 S ATOM 854 CE MET A 56 3.420 -0.460 -16.500 1.00 11.31 C ATOM 0 H MET A 56 0.116 1.082 -20.538 1.00 34.45 H new ATOM 0 HA MET A 56 1.818 1.829 -18.228 1.00 10.12 H new ATOM 0 HB2 MET A 56 2.487 0.677 -20.977 1.00 41.42 H new ATOM 0 HB3 MET A 56 3.697 1.390 -19.928 1.00 41.42 H new ATOM 0 HG2 MET A 56 1.948 -0.641 -18.611 1.00 21.33 H new ATOM 0 HG3 MET A 56 2.975 -1.273 -19.883 1.00 21.33 H new ATOM 0 HE1 MET A 56 4.154 -0.524 -15.697 1.00 11.31 H new ATOM 0 HE2 MET A 56 2.818 0.440 -16.371 1.00 11.31 H new ATOM 0 HE3 MET A 56 2.773 -1.337 -16.470 1.00 11.31 H new ATOM 864 N PRO A 57 2.760 3.946 -19.364 1.00 2.24 N ATOM 865 CA PRO A 57 2.976 5.307 -19.824 1.00 13.53 C ATOM 866 C PRO A 57 3.648 5.322 -21.198 1.00 23.21 C ATOM 867 O PRO A 57 3.589 6.322 -21.911 1.00 63.05 O ATOM 868 CB PRO A 57 3.821 5.959 -18.742 1.00 1.33 C ATOM 869 CG PRO A 57 4.436 4.818 -17.948 1.00 73.55 C ATOM 870 CD PRO A 57 3.697 3.542 -18.320 1.00 25.22 C ATOM 0 HA PRO A 57 2.045 5.855 -19.967 1.00 13.53 H new ATOM 0 HB2 PRO A 57 4.594 6.592 -19.178 1.00 1.33 H new ATOM 0 HB3 PRO A 57 3.211 6.596 -18.101 1.00 1.33 H new ATOM 0 HG2 PRO A 57 5.498 4.724 -18.174 1.00 73.55 H new ATOM 0 HG3 PRO A 57 4.354 5.009 -16.878 1.00 73.55 H new ATOM 0 HD2 PRO A 57 4.385 2.777 -18.680 1.00 25.22 H new ATOM 0 HD3 PRO A 57 3.175 3.122 -17.460 1.00 25.22 H new ATOM 878 N ASP A 58 4.272 4.200 -21.528 1.00 1.43 N ATOM 879 CA ASP A 58 4.955 4.071 -22.804 1.00 0.33 C ATOM 880 C ASP A 58 4.064 3.299 -23.779 1.00 14.35 C ATOM 881 O ASP A 58 4.491 2.960 -24.881 1.00 23.12 O ATOM 882 CB ASP A 58 6.267 3.300 -22.651 1.00 22.34 C ATOM 883 CG ASP A 58 7.531 4.107 -22.953 1.00 62.14 C ATOM 884 OD1 ASP A 58 8.564 3.550 -23.353 1.00 62.24 O ATOM 885 OD2 ASP A 58 7.426 5.378 -22.760 1.00 54.02 O ATOM 0 H ASP A 58 4.319 3.372 -20.934 1.00 1.43 H new ATOM 0 HA ASP A 58 5.167 5.074 -23.175 1.00 0.33 H new ATOM 0 HB2 ASP A 58 6.331 2.921 -21.631 1.00 22.34 H new ATOM 0 HB3 ASP A 58 6.241 2.434 -23.312 1.00 22.34 H new ATOM 891 N MET A 59 2.841 3.044 -23.337 1.00 53.41 N ATOM 892 CA MET A 59 1.885 2.319 -24.157 1.00 23.32 C ATOM 893 C MET A 59 0.695 3.206 -24.527 1.00 41.01 C ATOM 894 O MET A 59 -0.370 2.705 -24.884 1.00 60.12 O ATOM 895 CB MET A 59 1.388 1.089 -23.394 1.00 11.41 C ATOM 896 CG MET A 59 2.408 -0.049 -23.463 1.00 2.30 C ATOM 897 SD MET A 59 1.611 -1.606 -23.109 1.00 52.13 S ATOM 898 CE MET A 59 0.425 -1.076 -21.885 1.00 10.11 C ATOM 0 H MET A 59 2.490 3.326 -22.422 1.00 53.41 H new ATOM 0 HA MET A 59 2.383 2.011 -25.076 1.00 23.32 H new ATOM 0 HB2 MET A 59 1.203 1.353 -22.353 1.00 11.41 H new ATOM 0 HB3 MET A 59 0.438 0.756 -23.813 1.00 11.41 H new ATOM 0 HG2 MET A 59 2.863 -0.081 -24.453 1.00 2.30 H new ATOM 0 HG3 MET A 59 3.212 0.128 -22.748 1.00 2.30 H new ATOM 0 HE1 MET A 59 -0.114 -1.942 -21.501 1.00 10.11 H new ATOM 0 HE2 MET A 59 0.945 -0.580 -21.066 1.00 10.11 H new ATOM 0 HE3 MET A 59 -0.282 -0.382 -22.340 1.00 10.11 H new ATOM 908 N VAL A 60 0.916 4.509 -24.429 1.00 60.32 N ATOM 909 CA VAL A 60 -0.125 5.471 -24.749 1.00 70.55 C ATOM 910 C VAL A 60 0.469 6.594 -25.602 1.00 20.40 C ATOM 911 O VAL A 60 1.595 7.028 -25.365 1.00 11.50 O ATOM 912 CB VAL A 60 -0.781 5.979 -23.464 1.00 72.22 C ATOM 913 CG1 VAL A 60 -1.914 6.959 -23.777 1.00 62.42 C ATOM 914 CG2 VAL A 60 -1.284 4.815 -22.608 1.00 20.21 C ATOM 0 H VAL A 60 1.801 4.921 -24.132 1.00 60.32 H new ATOM 0 HA VAL A 60 -0.913 5.000 -25.336 1.00 70.55 H new ATOM 0 HB VAL A 60 -0.024 6.514 -22.890 1.00 72.22 H new ATOM 0 HG11 VAL A 60 -2.363 7.305 -22.846 1.00 62.42 H new ATOM 0 HG12 VAL A 60 -1.516 7.812 -24.327 1.00 62.42 H new ATOM 0 HG13 VAL A 60 -2.671 6.459 -24.381 1.00 62.42 H new ATOM 0 HG21 VAL A 60 -1.746 5.204 -21.700 1.00 20.21 H new ATOM 0 HG22 VAL A 60 -2.019 4.240 -23.171 1.00 20.21 H new ATOM 0 HG23 VAL A 60 -0.446 4.171 -22.341 1.00 20.21 H new ATOM 924 N LYS A 61 -0.315 7.031 -26.577 1.00 3.14 N ATOM 925 CA LYS A 61 0.120 8.095 -27.466 1.00 13.24 C ATOM 926 C LYS A 61 -0.231 9.448 -26.844 1.00 11.42 C ATOM 927 O LYS A 61 -1.202 9.559 -26.096 1.00 45.11 O ATOM 928 CB LYS A 61 -0.461 7.893 -28.867 1.00 3.13 C ATOM 929 CG LYS A 61 0.154 6.666 -29.543 1.00 51.02 C ATOM 930 CD LYS A 61 -0.119 6.675 -31.049 1.00 12.54 C ATOM 931 CE LYS A 61 -1.245 5.704 -31.408 1.00 30.34 C ATOM 932 NZ LYS A 61 -1.703 5.931 -32.796 1.00 50.54 N ATOM 0 H LYS A 61 -1.248 6.668 -26.771 1.00 3.14 H new ATOM 0 HA LYS A 61 1.203 8.071 -27.588 1.00 13.24 H new ATOM 0 HB2 LYS A 61 -1.542 7.773 -28.802 1.00 3.13 H new ATOM 0 HB3 LYS A 61 -0.274 8.779 -29.474 1.00 3.13 H new ATOM 0 HG2 LYS A 61 1.229 6.649 -29.365 1.00 51.02 H new ATOM 0 HG3 LYS A 61 -0.257 5.758 -29.101 1.00 51.02 H new ATOM 0 HD2 LYS A 61 -0.387 7.682 -31.367 1.00 12.54 H new ATOM 0 HD3 LYS A 61 0.788 6.401 -31.588 1.00 12.54 H new ATOM 0 HE2 LYS A 61 -0.897 4.677 -31.297 1.00 30.34 H new ATOM 0 HE3 LYS A 61 -2.079 5.834 -30.718 1.00 30.34 H new ATOM 0 HZ1 LYS A 61 -2.742 5.966 -32.817 1.00 50.54 H new ATOM 0 HZ2 LYS A 61 -1.319 6.832 -33.145 1.00 50.54 H new ATOM 0 HZ3 LYS A 61 -1.370 5.155 -33.403 1.00 50.54 H new ATOM 945 N GLY A 62 0.578 10.444 -27.176 1.00 32.20 N ATOM 946 CA GLY A 62 0.365 11.785 -26.660 1.00 10.25 C ATOM 947 C GLY A 62 0.167 11.764 -25.142 1.00 64.34 C ATOM 948 O GLY A 62 -0.407 12.691 -24.574 1.00 41.45 O ATOM 0 H GLY A 62 1.382 10.349 -27.796 1.00 32.20 H new ATOM 0 HA2 GLY A 62 1.219 12.415 -26.910 1.00 10.25 H new ATOM 0 HA3 GLY A 62 -0.509 12.228 -27.138 1.00 10.25 H new ATOM 952 N TYR A 63 0.654 10.695 -24.529 1.00 64.24 N ATOM 953 CA TYR A 63 0.538 10.540 -23.089 1.00 45.33 C ATOM 954 C TYR A 63 1.656 11.294 -22.365 1.00 51.12 C ATOM 955 O TYR A 63 2.572 11.814 -23.001 1.00 14.42 O ATOM 956 CB TYR A 63 0.687 9.043 -22.813 1.00 22.05 C ATOM 957 CG TYR A 63 0.913 8.702 -21.338 1.00 42.12 C ATOM 958 CD1 TYR A 63 2.193 8.687 -20.822 1.00 21.32 C ATOM 959 CD2 TYR A 63 -0.163 8.410 -20.525 1.00 4.13 C ATOM 960 CE1 TYR A 63 2.406 8.366 -19.434 1.00 72.12 C ATOM 961 CE2 TYR A 63 0.050 8.089 -19.137 1.00 41.31 C ATOM 962 CZ TYR A 63 1.324 8.083 -18.660 1.00 52.13 C ATOM 963 OH TYR A 63 1.525 7.780 -17.350 1.00 13.12 O ATOM 0 H TYR A 63 1.130 9.928 -25.004 1.00 64.24 H new ATOM 0 HA TYR A 63 -0.413 10.938 -22.735 1.00 45.33 H new ATOM 0 HB2 TYR A 63 -0.209 8.529 -23.161 1.00 22.05 H new ATOM 0 HB3 TYR A 63 1.523 8.658 -23.397 1.00 22.05 H new ATOM 0 HD1 TYR A 63 3.035 8.916 -21.459 1.00 21.32 H new ATOM 0 HD2 TYR A 63 -1.164 8.422 -20.929 1.00 4.13 H new ATOM 0 HE1 TYR A 63 3.402 8.350 -19.017 1.00 72.12 H new ATOM 0 HE2 TYR A 63 -0.783 7.858 -18.490 1.00 41.31 H new ATOM 0 HH TYR A 63 0.836 8.213 -16.805 1.00 13.12 H new ATOM 973 N ALA A 64 1.544 11.329 -21.046 1.00 10.05 N ATOM 974 CA ALA A 64 2.533 12.010 -20.228 1.00 44.53 C ATOM 975 C ALA A 64 2.034 12.082 -18.784 1.00 13.30 C ATOM 976 O ALA A 64 0.830 12.157 -18.543 1.00 32.41 O ATOM 977 CB ALA A 64 2.817 13.394 -20.817 1.00 15.12 C ATOM 0 H ALA A 64 0.783 10.896 -20.523 1.00 10.05 H new ATOM 0 HA ALA A 64 3.473 11.458 -20.224 1.00 44.53 H new ATOM 0 HB1 ALA A 64 3.559 13.905 -20.204 1.00 15.12 H new ATOM 0 HB2 ALA A 64 3.198 13.286 -21.833 1.00 15.12 H new ATOM 0 HB3 ALA A 64 1.897 13.978 -20.835 1.00 15.12 H new ATOM 983 N PRO A 65 3.009 12.057 -17.836 1.00 71.04 N ATOM 984 CA PRO A 65 2.680 12.118 -16.422 1.00 43.44 C ATOM 985 C PRO A 65 2.273 13.536 -16.015 1.00 61.11 C ATOM 986 O PRO A 65 2.614 14.503 -16.694 1.00 62.14 O ATOM 987 CB PRO A 65 3.929 11.630 -15.707 1.00 1.23 C ATOM 988 CG PRO A 65 5.062 11.756 -16.713 1.00 31.44 C ATOM 989 CD PRO A 65 4.445 11.970 -18.085 1.00 71.41 C ATOM 0 HA PRO A 65 1.821 11.499 -16.162 1.00 43.44 H new ATOM 0 HB2 PRO A 65 4.128 12.228 -14.818 1.00 1.23 H new ATOM 0 HB3 PRO A 65 3.812 10.598 -15.378 1.00 1.23 H new ATOM 0 HG2 PRO A 65 5.713 12.591 -16.453 1.00 31.44 H new ATOM 0 HG3 PRO A 65 5.679 10.857 -16.708 1.00 31.44 H new ATOM 0 HD2 PRO A 65 4.822 12.880 -18.551 1.00 71.41 H new ATOM 0 HD3 PRO A 65 4.681 11.146 -18.758 1.00 71.41 H new ATOM 997 N ALA A 66 1.550 13.614 -14.908 1.00 13.31 N ATOM 998 CA ALA A 66 1.093 14.897 -14.402 1.00 14.41 C ATOM 999 C ALA A 66 1.171 14.895 -12.874 1.00 11.31 C ATOM 1000 O ALA A 66 1.094 13.840 -12.246 1.00 52.32 O ATOM 1001 CB ALA A 66 -0.323 15.173 -14.913 1.00 30.13 C ATOM 0 H ALA A 66 1.269 12.810 -14.347 1.00 13.31 H new ATOM 0 HA ALA A 66 1.733 15.702 -14.764 1.00 14.41 H new ATOM 0 HB1 ALA A 66 -0.666 16.136 -14.533 1.00 30.13 H new ATOM 0 HB2 ALA A 66 -0.319 15.193 -16.003 1.00 30.13 H new ATOM 0 HB3 ALA A 66 -0.994 14.387 -14.567 1.00 30.13 H new TER 1007 ALA A 66