USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 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 120:sc= -2.39 USER MOD Set 1.2: A 21 MET CE :methyl -172:sc= -4.46! (180deg=-5.23!) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.463 K(o=1.5,f=-12!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 158:sc= 0.994 (180deg=0) USER MOD Set 3.1: A 2 GLN : amide:sc= -6.03! C(o=-5.3!,f=-15!) USER MOD Set 3.2: A 4 SER OG : rot -41:sc= 0.755 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -120:sc= 0.0919 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.121 USER MOD Single : A 22 MET CE :methyl -173:sc= -4.49! (180deg=-4.78!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 24 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= -0.355 USER MOD Single : A 30 THR OG1 : rot 49:sc= 0.192 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -140:sc= -8.22! (180deg=-17.9!) USER MOD Single : A 44 GLN : amide:sc= 0.013 X(o=0.013,f=0) USER MOD Single : A 46 ASN : amide:sc= -2.72! C(o=-2.7!,f=-4.4!) USER MOD Single : A 47 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.33) USER MOD Single : A 51 MET CE :methyl 143:sc= -0.23 (180deg=-1.18) USER MOD Single : A 53 THR OG1 : rot -141:sc= -0.633 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.27! USER MOD Single : A 56 MET CE :methyl -149:sc= -3.9! (180deg=-4.83!) USER MOD Single : A 59 MET CE :methyl 170:sc= -4.96! (180deg=-5.35!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.96 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 3.498 -1.090 -1.201 1.00 73.31 N ATOM 2 CA MET A 0 2.153 -0.554 -1.078 1.00 72.32 C ATOM 3 C MET A 0 1.223 -1.161 -2.131 1.00 15.42 C ATOM 4 O MET A 0 1.668 -1.902 -3.006 1.00 4.45 O ATOM 5 CB MET A 0 2.192 0.966 -1.246 1.00 34.00 C ATOM 6 CG MET A 0 0.943 1.616 -0.647 1.00 31.25 C ATOM 7 SD MET A 0 1.333 3.252 -0.050 1.00 11.22 S ATOM 8 CE MET A 0 -0.309 3.848 0.317 1.00 53.24 C ATOM 0 H1 MET A 0 3.764 -1.566 -0.316 1.00 73.31 H new ATOM 0 H2 MET A 0 3.529 -1.773 -1.985 1.00 73.31 H new ATOM 0 H3 MET A 0 4.165 -0.315 -1.391 1.00 73.31 H new ATOM 0 HA MET A 0 1.769 -0.809 -0.090 1.00 72.32 H new ATOM 0 HB2 MET A 0 3.083 1.366 -0.761 1.00 34.00 H new ATOM 0 HB3 MET A 0 2.265 1.217 -2.304 1.00 34.00 H new ATOM 0 HG2 MET A 0 0.156 1.672 -1.399 1.00 31.25 H new ATOM 0 HG3 MET A 0 0.560 1.004 0.169 1.00 31.25 H new ATOM 0 HE1 MET A 0 -0.249 4.865 0.704 1.00 53.24 H new ATOM 0 HE2 MET A 0 -0.911 3.840 -0.592 1.00 53.24 H new ATOM 0 HE3 MET A 0 -0.772 3.203 1.064 1.00 53.24 H new ATOM 18 N ASN A 1 -0.053 -0.823 -2.012 1.00 32.34 N ATOM 19 CA ASN A 1 -1.050 -1.325 -2.942 1.00 31.31 C ATOM 20 C ASN A 1 -1.677 -0.150 -3.694 1.00 42.34 C ATOM 21 O ASN A 1 -2.690 0.398 -3.264 1.00 12.34 O ATOM 22 CB ASN A 1 -2.168 -2.065 -2.205 1.00 13.12 C ATOM 23 CG ASN A 1 -1.604 -3.204 -1.353 1.00 41.40 C ATOM 24 OD1 ASN A 1 -1.891 -3.333 -0.174 1.00 42.23 O ATOM 25 ND2 ASN A 1 -0.787 -4.020 -2.013 1.00 52.44 N ATOM 0 H ASN A 1 -0.419 -0.208 -1.286 1.00 32.34 H new ATOM 0 HA ASN A 1 -0.555 -2.012 -3.629 1.00 31.31 H new ATOM 0 HB2 ASN A 1 -2.714 -1.367 -1.570 1.00 13.12 H new ATOM 0 HB3 ASN A 1 -2.881 -2.464 -2.926 1.00 13.12 H new ATOM 0 HD21 ASN A 1 -0.358 -4.811 -1.532 1.00 52.44 H new ATOM 0 HD22 ASN A 1 -0.589 -3.855 -3.000 1.00 52.44 H new ATOM 32 N GLN A 2 -1.048 0.203 -4.806 1.00 23.02 N ATOM 33 CA GLN A 2 -1.531 1.303 -5.622 1.00 50.53 C ATOM 34 C GLN A 2 -2.277 0.769 -6.846 1.00 72.42 C ATOM 35 O GLN A 2 -1.797 -0.139 -7.523 1.00 23.53 O ATOM 36 CB GLN A 2 -0.381 2.223 -6.040 1.00 34.34 C ATOM 37 CG GLN A 2 0.330 1.682 -7.282 1.00 13.02 C ATOM 38 CD GLN A 2 -0.465 1.999 -8.550 1.00 40.41 C ATOM 39 OE1 GLN A 2 -0.788 1.132 -9.344 1.00 74.35 O ATOM 40 NE2 GLN A 2 -0.760 3.288 -8.695 1.00 55.01 N ATOM 0 H GLN A 2 -0.208 -0.254 -5.160 1.00 23.02 H new ATOM 0 HA GLN A 2 -2.227 1.893 -5.025 1.00 50.53 H new ATOM 0 HB2 GLN A 2 -0.766 3.222 -6.243 1.00 34.34 H new ATOM 0 HB3 GLN A 2 0.331 2.316 -5.220 1.00 34.34 H new ATOM 0 HG2 GLN A 2 1.326 2.119 -7.354 1.00 13.02 H new ATOM 0 HG3 GLN A 2 0.460 0.604 -7.190 1.00 13.02 H new ATOM 0 HE21 GLN A 2 -0.459 3.962 -7.992 1.00 55.01 H new ATOM 0 HE22 GLN A 2 -1.288 3.602 -9.510 1.00 55.01 H new ATOM 49 N GLU A 3 -3.440 1.354 -7.093 1.00 44.35 N ATOM 50 CA GLU A 3 -4.257 0.948 -8.224 1.00 61.11 C ATOM 51 C GLU A 3 -3.600 1.381 -9.536 1.00 74.15 C ATOM 52 O GLU A 3 -3.091 2.495 -9.642 1.00 1.53 O ATOM 53 CB GLU A 3 -5.674 1.513 -8.107 1.00 61.25 C ATOM 54 CG GLU A 3 -6.599 0.529 -7.387 1.00 42.25 C ATOM 55 CD GLU A 3 -8.012 1.100 -7.259 1.00 15.04 C ATOM 56 OE1 GLU A 3 -8.259 1.957 -6.397 1.00 42.32 O ATOM 57 OE2 GLU A 3 -8.871 0.623 -8.094 1.00 74.24 O ATOM 0 H GLU A 3 -3.836 2.106 -6.529 1.00 44.35 H new ATOM 0 HA GLU A 3 -4.333 -0.139 -8.221 1.00 61.11 H new ATOM 0 HB2 GLU A 3 -5.649 2.458 -7.564 1.00 61.25 H new ATOM 0 HB3 GLU A 3 -6.067 1.727 -9.101 1.00 61.25 H new ATOM 0 HG2 GLU A 3 -6.632 -0.413 -7.935 1.00 42.25 H new ATOM 0 HG3 GLU A 3 -6.201 0.308 -6.397 1.00 42.25 H new ATOM 65 N SER A 4 -3.634 0.477 -10.504 1.00 62.33 N ATOM 66 CA SER A 4 -3.048 0.751 -11.806 1.00 13.24 C ATOM 67 C SER A 4 -4.096 0.552 -12.903 1.00 44.51 C ATOM 68 O SER A 4 -4.937 -0.339 -12.809 1.00 34.43 O ATOM 69 CB SER A 4 -1.834 -0.143 -12.063 1.00 2.13 C ATOM 70 OG SER A 4 -1.293 -0.670 -10.854 1.00 74.10 O ATOM 0 H SER A 4 -4.058 -0.446 -10.413 1.00 62.33 H new ATOM 0 HA SER A 4 -2.710 1.787 -11.818 1.00 13.24 H new ATOM 0 HB2 SER A 4 -2.121 -0.964 -12.720 1.00 2.13 H new ATOM 0 HB3 SER A 4 -1.067 0.429 -12.585 1.00 2.13 H new ATOM 0 HG SER A 4 -1.295 0.026 -10.164 1.00 74.10 H new ATOM 76 N VAL A 5 -4.009 1.399 -13.919 1.00 74.50 N ATOM 77 CA VAL A 5 -4.939 1.327 -15.033 1.00 52.14 C ATOM 78 C VAL A 5 -4.924 -0.088 -15.615 1.00 20.02 C ATOM 79 O VAL A 5 -3.859 -0.669 -15.815 1.00 24.54 O ATOM 80 CB VAL A 5 -4.600 2.402 -16.068 1.00 3.11 C ATOM 81 CG1 VAL A 5 -5.451 2.238 -17.328 1.00 52.33 C ATOM 82 CG2 VAL A 5 -4.761 3.803 -15.475 1.00 41.53 C ATOM 0 H VAL A 5 -3.310 2.138 -13.994 1.00 74.50 H new ATOM 0 HA VAL A 5 -5.955 1.528 -14.695 1.00 52.14 H new ATOM 0 HB VAL A 5 -3.555 2.277 -16.352 1.00 3.11 H new ATOM 0 HG11 VAL A 5 -5.190 3.015 -18.047 1.00 52.33 H new ATOM 0 HG12 VAL A 5 -5.264 1.258 -17.768 1.00 52.33 H new ATOM 0 HG13 VAL A 5 -6.506 2.324 -17.068 1.00 52.33 H new ATOM 0 HG21 VAL A 5 -4.514 4.549 -16.231 1.00 41.53 H new ATOM 0 HG22 VAL A 5 -5.792 3.944 -15.149 1.00 41.53 H new ATOM 0 HG23 VAL A 5 -4.092 3.916 -14.622 1.00 41.53 H new ATOM 92 N VAL A 6 -6.118 -0.601 -15.870 1.00 34.41 N ATOM 93 CA VAL A 6 -6.256 -1.937 -16.424 1.00 61.44 C ATOM 94 C VAL A 6 -7.349 -1.930 -17.495 1.00 63.53 C ATOM 95 O VAL A 6 -8.508 -1.644 -17.202 1.00 13.40 O ATOM 96 CB VAL A 6 -6.523 -2.944 -15.304 1.00 34.12 C ATOM 97 CG1 VAL A 6 -6.889 -4.316 -15.875 1.00 3.24 C ATOM 98 CG2 VAL A 6 -5.324 -3.045 -14.359 1.00 42.15 C ATOM 0 H VAL A 6 -6.999 -0.115 -15.703 1.00 34.41 H new ATOM 0 HA VAL A 6 -5.329 -2.247 -16.907 1.00 61.44 H new ATOM 0 HB VAL A 6 -7.374 -2.584 -14.727 1.00 34.12 H new ATOM 0 HG11 VAL A 6 -7.074 -5.013 -15.057 1.00 3.24 H new ATOM 0 HG12 VAL A 6 -7.787 -4.228 -16.487 1.00 3.24 H new ATOM 0 HG13 VAL A 6 -6.067 -4.686 -16.488 1.00 3.24 H new ATOM 0 HG21 VAL A 6 -5.541 -3.768 -13.572 1.00 42.15 H new ATOM 0 HG22 VAL A 6 -4.446 -3.369 -14.918 1.00 42.15 H new ATOM 0 HG23 VAL A 6 -5.130 -2.070 -13.912 1.00 42.15 H new ATOM 108 N ALA A 7 -6.940 -2.250 -18.714 1.00 50.24 N ATOM 109 CA ALA A 7 -7.870 -2.284 -19.830 1.00 61.05 C ATOM 110 C ALA A 7 -9.124 -3.059 -19.421 1.00 25.44 C ATOM 111 O ALA A 7 -9.122 -4.289 -19.412 1.00 71.45 O ATOM 112 CB ALA A 7 -7.180 -2.895 -21.052 1.00 3.04 C ATOM 0 H ALA A 7 -5.977 -2.488 -18.953 1.00 50.24 H new ATOM 0 HA ALA A 7 -8.180 -1.275 -20.101 1.00 61.05 H new ATOM 0 HB1 ALA A 7 -7.878 -2.920 -21.889 1.00 3.04 H new ATOM 0 HB2 ALA A 7 -6.313 -2.291 -21.320 1.00 3.04 H new ATOM 0 HB3 ALA A 7 -6.857 -3.909 -20.818 1.00 3.04 H new ATOM 118 N ALA A 8 -10.164 -2.308 -19.090 1.00 44.03 N ATOM 119 CA ALA A 8 -11.421 -2.909 -18.680 1.00 72.33 C ATOM 120 C ALA A 8 -12.014 -3.692 -19.854 1.00 1.20 C ATOM 121 O ALA A 8 -12.954 -4.465 -19.678 1.00 30.15 O ATOM 122 CB ALA A 8 -12.366 -1.819 -18.170 1.00 21.52 C ATOM 0 H ALA A 8 -10.162 -1.288 -19.098 1.00 44.03 H new ATOM 0 HA ALA A 8 -11.262 -3.611 -17.862 1.00 72.33 H new ATOM 0 HB1 ALA A 8 -13.309 -2.270 -17.862 1.00 21.52 H new ATOM 0 HB2 ALA A 8 -11.911 -1.312 -17.319 1.00 21.52 H new ATOM 0 HB3 ALA A 8 -12.551 -1.097 -18.965 1.00 21.52 H new ATOM 128 N VAL A 9 -11.440 -3.464 -21.026 1.00 4.31 N ATOM 129 CA VAL A 9 -11.899 -4.138 -22.228 1.00 53.34 C ATOM 130 C VAL A 9 -10.745 -4.231 -23.228 1.00 52.25 C ATOM 131 O VAL A 9 -9.698 -3.617 -23.032 1.00 3.31 O ATOM 132 CB VAL A 9 -13.125 -3.418 -22.795 1.00 70.43 C ATOM 133 CG1 VAL A 9 -14.255 -3.365 -21.765 1.00 5.13 C ATOM 134 CG2 VAL A 9 -12.760 -2.015 -23.283 1.00 13.22 C ATOM 0 H VAL A 9 -10.661 -2.822 -21.169 1.00 4.31 H new ATOM 0 HA VAL A 9 -12.213 -5.156 -21.999 1.00 53.34 H new ATOM 0 HB VAL A 9 -13.481 -3.988 -23.653 1.00 70.43 H new ATOM 0 HG11 VAL A 9 -15.114 -2.848 -22.193 1.00 5.13 H new ATOM 0 HG12 VAL A 9 -14.543 -4.379 -21.488 1.00 5.13 H new ATOM 0 HG13 VAL A 9 -13.915 -2.830 -20.879 1.00 5.13 H new ATOM 0 HG21 VAL A 9 -13.649 -1.525 -23.681 1.00 13.22 H new ATOM 0 HG22 VAL A 9 -12.366 -1.431 -22.451 1.00 13.22 H new ATOM 0 HG23 VAL A 9 -12.005 -2.087 -24.065 1.00 13.22 H new ATOM 144 N LEU A 10 -10.976 -5.004 -24.280 1.00 11.44 N ATOM 145 CA LEU A 10 -9.969 -5.185 -25.311 1.00 24.02 C ATOM 146 C LEU A 10 -9.711 -3.847 -26.007 1.00 22.12 C ATOM 147 O LEU A 10 -10.511 -3.408 -26.832 1.00 25.31 O ATOM 148 CB LEU A 10 -10.377 -6.307 -26.267 1.00 71.23 C ATOM 149 CG LEU A 10 -9.562 -6.418 -27.558 1.00 34.33 C ATOM 150 CD1 LEU A 10 -8.360 -7.345 -27.369 1.00 5.54 C ATOM 151 CD2 LEU A 10 -10.445 -6.857 -28.728 1.00 35.35 C ATOM 0 H LEU A 10 -11.846 -5.512 -24.440 1.00 11.44 H new ATOM 0 HA LEU A 10 -9.024 -5.502 -24.869 1.00 24.02 H new ATOM 0 HB2 LEU A 10 -10.307 -7.255 -25.734 1.00 71.23 H new ATOM 0 HB3 LEU A 10 -11.425 -6.168 -26.533 1.00 71.23 H new ATOM 0 HG LEU A 10 -9.172 -5.430 -27.802 1.00 34.33 H new ATOM 0 HD11 LEU A 10 -7.798 -7.406 -28.301 1.00 5.54 H new ATOM 0 HD12 LEU A 10 -7.717 -6.951 -26.582 1.00 5.54 H new ATOM 0 HD13 LEU A 10 -8.708 -8.339 -27.089 1.00 5.54 H new ATOM 0 HD21 LEU A 10 -9.841 -6.928 -29.633 1.00 35.35 H new ATOM 0 HD22 LEU A 10 -10.884 -7.830 -28.507 1.00 35.35 H new ATOM 0 HD23 LEU A 10 -11.240 -6.126 -28.878 1.00 35.35 H new ATOM 163 N ILE A 11 -8.591 -3.236 -25.648 1.00 71.25 N ATOM 164 CA ILE A 11 -8.218 -1.957 -26.228 1.00 62.23 C ATOM 165 C ILE A 11 -7.197 -2.187 -27.345 1.00 14.31 C ATOM 166 O ILE A 11 -6.051 -2.546 -27.079 1.00 75.22 O ATOM 167 CB ILE A 11 -7.733 -0.997 -25.140 1.00 54.33 C ATOM 168 CG1 ILE A 11 -8.388 -1.317 -23.795 1.00 54.31 C ATOM 169 CG2 ILE A 11 -7.957 0.459 -25.555 1.00 10.01 C ATOM 170 CD1 ILE A 11 -8.390 -0.090 -22.880 1.00 65.33 C ATOM 0 H ILE A 11 -7.930 -3.603 -24.963 1.00 71.25 H new ATOM 0 HA ILE A 11 -9.085 -1.477 -26.682 1.00 62.23 H new ATOM 0 HB ILE A 11 -6.659 -1.135 -25.016 1.00 54.33 H new ATOM 0 HG12 ILE A 11 -9.411 -1.656 -23.956 1.00 54.31 H new ATOM 0 HG13 ILE A 11 -7.853 -2.135 -23.312 1.00 54.31 H new ATOM 0 HG21 ILE A 11 -7.604 1.121 -24.764 1.00 10.01 H new ATOM 0 HG22 ILE A 11 -7.407 0.664 -26.473 1.00 10.01 H new ATOM 0 HG23 ILE A 11 -9.020 0.630 -25.723 1.00 10.01 H new ATOM 0 HD11 ILE A 11 -8.861 -0.345 -21.931 1.00 65.33 H new ATOM 0 HD12 ILE A 11 -7.364 0.232 -22.701 1.00 65.33 H new ATOM 0 HD13 ILE A 11 -8.946 0.718 -23.356 1.00 65.33 H new ATOM 182 N PRO A 12 -7.662 -1.964 -28.603 1.00 55.33 N ATOM 183 CA PRO A 12 -6.803 -2.142 -29.761 1.00 73.33 C ATOM 184 C PRO A 12 -5.807 -0.988 -29.888 1.00 24.31 C ATOM 185 O PRO A 12 -5.884 -0.012 -29.144 1.00 12.12 O ATOM 186 CB PRO A 12 -7.753 -2.240 -30.944 1.00 43.33 C ATOM 187 CG PRO A 12 -9.071 -1.650 -30.470 1.00 50.34 C ATOM 188 CD PRO A 12 -9.014 -1.537 -28.956 1.00 25.13 C ATOM 0 HA PRO A 12 -6.182 -3.035 -29.691 1.00 73.33 H new ATOM 0 HB2 PRO A 12 -7.366 -1.691 -31.802 1.00 43.33 H new ATOM 0 HB3 PRO A 12 -7.879 -3.276 -31.259 1.00 43.33 H new ATOM 0 HG2 PRO A 12 -9.234 -0.671 -30.920 1.00 50.34 H new ATOM 0 HG3 PRO A 12 -9.904 -2.284 -30.774 1.00 50.34 H new ATOM 0 HD2 PRO A 12 -9.205 -0.515 -28.628 1.00 25.13 H new ATOM 0 HD3 PRO A 12 -9.765 -2.170 -28.483 1.00 25.13 H new ATOM 196 N ILE A 13 -4.893 -1.139 -30.836 1.00 13.22 N ATOM 197 CA ILE A 13 -3.883 -0.121 -31.070 1.00 24.34 C ATOM 198 C ILE A 13 -4.553 1.143 -31.611 1.00 35.14 C ATOM 199 O ILE A 13 -5.639 1.077 -32.185 1.00 33.52 O ATOM 200 CB ILE A 13 -2.774 -0.665 -31.974 1.00 15.41 C ATOM 201 CG1 ILE A 13 -1.713 0.404 -32.243 1.00 22.15 C ATOM 202 CG2 ILE A 13 -3.355 -1.235 -33.270 1.00 4.13 C ATOM 203 CD1 ILE A 13 -0.422 -0.226 -32.769 1.00 24.24 C ATOM 0 H ILE A 13 -4.831 -1.951 -31.451 1.00 13.22 H new ATOM 0 HA ILE A 13 -3.395 0.153 -30.135 1.00 24.34 H new ATOM 0 HB ILE A 13 -2.280 -1.485 -31.454 1.00 15.41 H new ATOM 0 HG12 ILE A 13 -2.092 1.124 -32.968 1.00 22.15 H new ATOM 0 HG13 ILE A 13 -1.506 0.955 -31.326 1.00 22.15 H new ATOM 0 HG21 ILE A 13 -2.547 -1.615 -33.895 1.00 4.13 H new ATOM 0 HG22 ILE A 13 -4.044 -2.046 -33.034 1.00 4.13 H new ATOM 0 HG23 ILE A 13 -3.889 -0.450 -33.805 1.00 4.13 H new ATOM 0 HD11 ILE A 13 0.316 0.555 -32.952 1.00 24.24 H new ATOM 0 HD12 ILE A 13 -0.032 -0.927 -32.031 1.00 24.24 H new ATOM 0 HD13 ILE A 13 -0.628 -0.756 -33.699 1.00 24.24 H new ATOM 215 N ASN A 14 -3.879 2.265 -31.408 1.00 41.13 N ATOM 216 CA ASN A 14 -4.396 3.543 -31.869 1.00 31.53 C ATOM 217 C ASN A 14 -5.903 3.600 -31.612 1.00 13.00 C ATOM 218 O ASN A 14 -6.679 3.907 -32.516 1.00 33.42 O ATOM 219 CB ASN A 14 -4.165 3.721 -33.371 1.00 12.25 C ATOM 220 CG ASN A 14 -2.784 4.318 -33.646 1.00 4.33 C ATOM 221 OD1 ASN A 14 -2.411 5.355 -33.121 1.00 52.03 O ATOM 222 ND2 ASN A 14 -2.047 3.608 -34.495 1.00 41.23 N ATOM 0 H ASN A 14 -2.979 2.316 -30.930 1.00 41.13 H new ATOM 0 HA ASN A 14 -3.875 4.333 -31.328 1.00 31.53 H new ATOM 0 HB2 ASN A 14 -4.255 2.758 -33.873 1.00 12.25 H new ATOM 0 HB3 ASN A 14 -4.935 4.371 -33.787 1.00 12.25 H new ATOM 0 HD21 ASN A 14 -1.109 3.923 -34.743 1.00 41.23 H new ATOM 0 HD22 ASN A 14 -2.420 2.749 -34.899 1.00 41.23 H new ATOM 229 N THR A 15 -6.272 3.300 -30.375 1.00 54.34 N ATOM 230 CA THR A 15 -7.673 3.314 -29.988 1.00 41.03 C ATOM 231 C THR A 15 -7.905 4.322 -28.861 1.00 42.32 C ATOM 232 O THR A 15 -7.339 4.188 -27.777 1.00 41.23 O ATOM 233 CB THR A 15 -8.075 1.885 -29.618 1.00 0.24 C ATOM 234 OG1 THR A 15 -7.960 1.164 -30.841 1.00 25.41 O ATOM 235 CG2 THR A 15 -9.557 1.769 -29.255 1.00 40.21 C ATOM 0 H THR A 15 -5.626 3.046 -29.628 1.00 54.34 H new ATOM 0 HA THR A 15 -8.308 3.643 -30.811 1.00 41.03 H new ATOM 0 HB THR A 15 -7.468 1.543 -28.780 1.00 0.24 H new ATOM 0 HG1 THR A 15 -7.013 1.042 -31.061 1.00 25.41 H new ATOM 0 HG21 THR A 15 -9.789 0.735 -29.001 1.00 40.21 H new ATOM 0 HG22 THR A 15 -9.774 2.410 -28.401 1.00 40.21 H new ATOM 0 HG23 THR A 15 -10.165 2.079 -30.105 1.00 40.21 H new ATOM 243 N ALA A 16 -8.738 5.309 -29.156 1.00 10.42 N ATOM 244 CA ALA A 16 -9.052 6.340 -28.181 1.00 2.03 C ATOM 245 C ALA A 16 -9.483 5.681 -26.869 1.00 75.22 C ATOM 246 O ALA A 16 -10.377 4.835 -26.860 1.00 2.31 O ATOM 247 CB ALA A 16 -10.127 7.269 -28.748 1.00 0.13 C ATOM 0 H ALA A 16 -9.205 5.417 -30.056 1.00 10.42 H new ATOM 0 HA ALA A 16 -8.173 6.949 -27.970 1.00 2.03 H new ATOM 0 HB1 ALA A 16 -10.362 8.042 -28.017 1.00 0.13 H new ATOM 0 HB2 ALA A 16 -9.760 7.734 -29.663 1.00 0.13 H new ATOM 0 HB3 ALA A 16 -11.026 6.693 -28.969 1.00 0.13 H new ATOM 253 N LEU A 17 -8.829 6.093 -25.794 1.00 22.45 N ATOM 254 CA LEU A 17 -9.134 5.553 -24.479 1.00 63.44 C ATOM 255 C LEU A 17 -10.320 6.313 -23.883 1.00 22.00 C ATOM 256 O LEU A 17 -10.413 7.532 -24.021 1.00 20.34 O ATOM 257 CB LEU A 17 -7.887 5.565 -23.593 1.00 22.42 C ATOM 258 CG LEU A 17 -6.733 4.667 -24.045 1.00 73.13 C ATOM 259 CD1 LEU A 17 -5.450 4.996 -23.280 1.00 31.42 C ATOM 260 CD2 LEU A 17 -7.109 3.189 -23.926 1.00 35.32 C ATOM 0 H LEU A 17 -8.089 6.795 -25.806 1.00 22.45 H new ATOM 0 HA LEU A 17 -9.432 4.507 -24.556 1.00 63.44 H new ATOM 0 HB2 LEU A 17 -7.520 6.590 -23.530 1.00 22.42 H new ATOM 0 HB3 LEU A 17 -8.179 5.268 -22.586 1.00 22.42 H new ATOM 0 HG LEU A 17 -6.539 4.865 -25.099 1.00 73.13 H new ATOM 0 HD11 LEU A 17 -4.646 4.344 -23.620 1.00 31.42 H new ATOM 0 HD12 LEU A 17 -5.175 6.035 -23.460 1.00 31.42 H new ATOM 0 HD13 LEU A 17 -5.613 4.844 -22.213 1.00 31.42 H new ATOM 0 HD21 LEU A 17 -6.272 2.573 -24.253 1.00 35.32 H new ATOM 0 HD22 LEU A 17 -7.346 2.956 -22.888 1.00 35.32 H new ATOM 0 HD23 LEU A 17 -7.977 2.983 -24.552 1.00 35.32 H new ATOM 272 N THR A 18 -11.197 5.562 -23.233 1.00 63.10 N ATOM 273 CA THR A 18 -12.373 6.150 -22.615 1.00 70.11 C ATOM 274 C THR A 18 -12.444 5.770 -21.135 1.00 32.41 C ATOM 275 O THR A 18 -11.656 4.952 -20.662 1.00 0.54 O ATOM 276 CB THR A 18 -13.599 5.707 -23.416 1.00 31.01 C ATOM 277 OG1 THR A 18 -13.466 4.291 -23.499 1.00 71.34 O ATOM 278 CG2 THR A 18 -13.547 6.173 -24.872 1.00 63.34 C ATOM 0 H THR A 18 -11.117 4.551 -23.121 1.00 63.10 H new ATOM 0 HA THR A 18 -12.329 7.239 -22.637 1.00 70.11 H new ATOM 0 HB THR A 18 -14.501 6.095 -22.943 1.00 31.01 H new ATOM 0 HG1 THR A 18 -14.242 3.864 -23.080 1.00 71.34 H new ATOM 0 HG21 THR A 18 -14.440 5.832 -25.395 1.00 63.34 H new ATOM 0 HG22 THR A 18 -13.501 7.262 -24.904 1.00 63.34 H new ATOM 0 HG23 THR A 18 -12.663 5.758 -25.356 1.00 63.34 H new ATOM 286 N VAL A 19 -13.396 6.380 -20.445 1.00 52.41 N ATOM 287 CA VAL A 19 -13.581 6.116 -19.028 1.00 43.12 C ATOM 288 C VAL A 19 -14.331 4.794 -18.854 1.00 25.12 C ATOM 289 O VAL A 19 -14.389 4.250 -17.752 1.00 63.33 O ATOM 290 CB VAL A 19 -14.290 7.298 -18.363 1.00 61.34 C ATOM 291 CG1 VAL A 19 -15.809 7.130 -18.424 1.00 33.31 C ATOM 292 CG2 VAL A 19 -13.815 7.481 -16.920 1.00 72.35 C ATOM 0 H VAL A 19 -14.048 7.057 -20.841 1.00 52.41 H new ATOM 0 HA VAL A 19 -12.617 6.011 -18.530 1.00 43.12 H new ATOM 0 HB VAL A 19 -14.030 8.200 -18.917 1.00 61.34 H new ATOM 0 HG11 VAL A 19 -16.289 7.983 -17.945 1.00 33.31 H new ATOM 0 HG12 VAL A 19 -16.127 7.072 -19.465 1.00 33.31 H new ATOM 0 HG13 VAL A 19 -16.095 6.215 -17.906 1.00 33.31 H new ATOM 0 HG21 VAL A 19 -14.334 8.327 -16.471 1.00 72.35 H new ATOM 0 HG22 VAL A 19 -14.031 6.578 -16.349 1.00 72.35 H new ATOM 0 HG23 VAL A 19 -12.741 7.668 -16.911 1.00 72.35 H new ATOM 302 N GLY A 20 -14.886 4.315 -19.958 1.00 3.35 N ATOM 303 CA GLY A 20 -15.629 3.067 -19.941 1.00 14.24 C ATOM 304 C GLY A 20 -14.816 1.936 -20.572 1.00 71.43 C ATOM 305 O GLY A 20 -15.344 0.854 -20.828 1.00 12.52 O ATOM 0 H GLY A 20 -14.836 4.769 -20.870 1.00 3.35 H new ATOM 0 HA2 GLY A 20 -15.885 2.806 -18.914 1.00 14.24 H new ATOM 0 HA3 GLY A 20 -16.567 3.191 -20.482 1.00 14.24 H new ATOM 309 N MET A 21 -13.544 2.223 -20.806 1.00 51.31 N ATOM 310 CA MET A 21 -12.653 1.243 -21.403 1.00 43.31 C ATOM 311 C MET A 21 -11.550 0.836 -20.423 1.00 52.23 C ATOM 312 O MET A 21 -11.080 -0.300 -20.450 1.00 20.03 O ATOM 313 CB MET A 21 -12.021 1.831 -22.667 1.00 73.50 C ATOM 314 CG MET A 21 -12.797 1.406 -23.915 1.00 54.25 C ATOM 315 SD MET A 21 -11.663 1.042 -25.245 1.00 33.53 S ATOM 316 CE MET A 21 -10.725 2.560 -25.277 1.00 21.43 C ATOM 0 H MET A 21 -13.109 3.121 -20.593 1.00 51.31 H new ATOM 0 HA MET A 21 -13.235 0.356 -21.655 1.00 43.31 H new ATOM 0 HB2 MET A 21 -12.004 2.919 -22.598 1.00 73.50 H new ATOM 0 HB3 MET A 21 -10.985 1.501 -22.748 1.00 73.50 H new ATOM 0 HG2 MET A 21 -13.405 0.529 -23.694 1.00 54.25 H new ATOM 0 HG3 MET A 21 -13.481 2.200 -24.216 1.00 54.25 H new ATOM 0 HE1 MET A 21 -10.064 2.561 -26.144 1.00 21.43 H new ATOM 0 HE2 MET A 21 -11.407 3.408 -25.339 1.00 21.43 H new ATOM 0 HE3 MET A 21 -10.130 2.639 -24.367 1.00 21.43 H new ATOM 326 N MET A 22 -11.170 1.786 -19.582 1.00 0.50 N ATOM 327 CA MET A 22 -10.132 1.541 -18.596 1.00 3.05 C ATOM 328 C MET A 22 -10.739 1.235 -17.225 1.00 21.41 C ATOM 329 O MET A 22 -11.957 1.272 -17.060 1.00 32.55 O ATOM 330 CB MET A 22 -9.227 2.770 -18.490 1.00 2.21 C ATOM 331 CG MET A 22 -8.430 2.977 -19.780 1.00 21.33 C ATOM 332 SD MET A 22 -7.702 4.606 -19.793 1.00 3.30 S ATOM 333 CE MET A 22 -9.158 5.594 -20.093 1.00 42.12 C ATOM 0 H MET A 22 -11.563 2.727 -19.563 1.00 0.50 H new ATOM 0 HA MET A 22 -9.550 0.677 -18.917 1.00 3.05 H new ATOM 0 HB2 MET A 22 -9.831 3.654 -18.286 1.00 2.21 H new ATOM 0 HB3 MET A 22 -8.542 2.651 -17.650 1.00 2.21 H new ATOM 0 HG2 MET A 22 -7.650 2.220 -19.860 1.00 21.33 H new ATOM 0 HG3 MET A 22 -9.083 2.855 -20.644 1.00 21.33 H new ATOM 0 HE1 MET A 22 -8.866 6.632 -20.255 1.00 42.12 H new ATOM 0 HE2 MET A 22 -9.676 5.220 -20.977 1.00 42.12 H new ATOM 0 HE3 MET A 22 -9.822 5.534 -19.231 1.00 42.12 H new ATOM 343 N THR A 23 -9.862 0.939 -16.277 1.00 65.03 N ATOM 344 CA THR A 23 -10.296 0.626 -14.926 1.00 41.43 C ATOM 345 C THR A 23 -9.103 0.629 -13.969 1.00 22.44 C ATOM 346 O THR A 23 -7.954 0.702 -14.402 1.00 71.54 O ATOM 347 CB THR A 23 -11.040 -0.710 -14.966 1.00 55.44 C ATOM 348 OG1 THR A 23 -11.734 -0.758 -13.722 1.00 62.14 O ATOM 349 CG2 THR A 23 -10.093 -1.910 -14.912 1.00 12.20 C ATOM 0 H THR A 23 -8.852 0.909 -16.418 1.00 65.03 H new ATOM 0 HA THR A 23 -10.980 1.384 -14.545 1.00 41.43 H new ATOM 0 HB THR A 23 -11.641 -0.764 -15.874 1.00 55.44 H new ATOM 0 HG1 THR A 23 -12.245 -1.592 -13.664 1.00 62.14 H new ATOM 0 HG21 THR A 23 -10.673 -2.833 -14.943 1.00 12.20 H new ATOM 0 HG22 THR A 23 -9.416 -1.878 -15.766 1.00 12.20 H new ATOM 0 HG23 THR A 23 -9.515 -1.876 -13.989 1.00 12.20 H new ATOM 357 N THR A 24 -9.416 0.548 -12.684 1.00 31.32 N ATOM 358 CA THR A 24 -8.384 0.539 -11.661 1.00 11.50 C ATOM 359 C THR A 24 -8.338 -0.820 -10.961 1.00 13.04 C ATOM 360 O THR A 24 -9.362 -1.316 -10.492 1.00 41.23 O ATOM 361 CB THR A 24 -8.654 1.705 -10.708 1.00 1.33 C ATOM 362 OG1 THR A 24 -9.940 1.419 -10.164 1.00 43.03 O ATOM 363 CG2 THR A 24 -8.848 3.032 -11.445 1.00 71.21 C ATOM 0 H THR A 24 -10.370 0.488 -12.328 1.00 31.32 H new ATOM 0 HA THR A 24 -7.394 0.678 -12.096 1.00 11.50 H new ATOM 0 HB THR A 24 -7.826 1.798 -10.006 1.00 1.33 H new ATOM 0 HG1 THR A 24 -9.842 0.841 -9.378 1.00 43.03 H new ATOM 0 HG21 THR A 24 -9.036 3.826 -10.722 1.00 71.21 H new ATOM 0 HG22 THR A 24 -7.949 3.266 -12.015 1.00 71.21 H new ATOM 0 HG23 THR A 24 -9.697 2.951 -12.124 1.00 71.21 H new ATOM 371 N ARG A 25 -7.141 -1.384 -10.911 1.00 64.21 N ATOM 372 CA ARG A 25 -6.948 -2.677 -10.276 1.00 2.32 C ATOM 373 C ARG A 25 -5.493 -2.837 -9.829 1.00 13.21 C ATOM 374 O ARG A 25 -4.575 -2.410 -10.527 1.00 11.40 O ATOM 375 CB ARG A 25 -7.310 -3.818 -11.228 1.00 51.01 C ATOM 376 CG ARG A 25 -8.442 -4.672 -10.654 1.00 73.43 C ATOM 377 CD ARG A 25 -9.715 -4.531 -11.492 1.00 64.14 C ATOM 378 NE ARG A 25 -10.285 -5.867 -11.775 1.00 15.01 N ATOM 379 CZ ARG A 25 -11.584 -6.088 -12.070 1.00 32.23 C ATOM 380 NH1 ARG A 25 -12.459 -5.061 -12.123 1.00 71.42 N ATOM 381 NH2 ARG A 25 -11.986 -7.323 -12.305 1.00 22.42 N ATOM 0 H ARG A 25 -6.294 -0.969 -11.300 1.00 64.21 H new ATOM 0 HA ARG A 25 -7.606 -2.721 -9.408 1.00 2.32 H new ATOM 0 HB2 ARG A 25 -7.611 -3.410 -12.193 1.00 51.01 H new ATOM 0 HB3 ARG A 25 -6.433 -4.441 -11.405 1.00 51.01 H new ATOM 0 HG2 ARG A 25 -8.135 -5.717 -10.626 1.00 73.43 H new ATOM 0 HG3 ARG A 25 -8.644 -4.371 -9.626 1.00 73.43 H new ATOM 0 HD2 ARG A 25 -10.445 -3.920 -10.960 1.00 64.14 H new ATOM 0 HD3 ARG A 25 -9.490 -4.017 -12.427 1.00 64.14 H new ATOM 0 HE ARG A 25 -9.658 -6.671 -11.745 1.00 15.01 H new ATOM 0 HH11 ARG A 25 -12.140 -4.110 -11.939 1.00 71.42 H new ATOM 0 HH12 ARG A 25 -13.439 -5.237 -12.347 1.00 71.42 H new ATOM 0 HH21 ARG A 25 -11.319 -8.093 -12.262 1.00 22.42 H new ATOM 0 HH22 ARG A 25 -12.964 -7.507 -12.529 1.00 22.42 H new ATOM 394 N VAL A 26 -5.329 -3.454 -8.668 1.00 0.52 N ATOM 395 CA VAL A 26 -4.002 -3.675 -8.120 1.00 23.45 C ATOM 396 C VAL A 26 -3.329 -4.825 -8.873 1.00 0.50 C ATOM 397 O VAL A 26 -3.329 -5.962 -8.405 1.00 71.35 O ATOM 398 CB VAL A 26 -4.093 -3.921 -6.612 1.00 44.11 C ATOM 399 CG1 VAL A 26 -2.705 -4.145 -6.009 1.00 23.34 C ATOM 400 CG2 VAL A 26 -4.816 -2.769 -5.912 1.00 5.25 C ATOM 0 H VAL A 26 -6.093 -3.808 -8.092 1.00 0.52 H new ATOM 0 HA VAL A 26 -3.381 -2.790 -8.255 1.00 23.45 H new ATOM 0 HB VAL A 26 -4.677 -4.828 -6.454 1.00 44.11 H new ATOM 0 HG11 VAL A 26 -2.798 -4.317 -4.937 1.00 23.34 H new ATOM 0 HG12 VAL A 26 -2.241 -5.013 -6.477 1.00 23.34 H new ATOM 0 HG13 VAL A 26 -2.086 -3.265 -6.183 1.00 23.34 H new ATOM 0 HG21 VAL A 26 -4.867 -2.968 -4.842 1.00 5.25 H new ATOM 0 HG22 VAL A 26 -4.271 -1.840 -6.082 1.00 5.25 H new ATOM 0 HG23 VAL A 26 -5.825 -2.676 -6.312 1.00 5.25 H new ATOM 410 N VAL A 27 -2.772 -4.487 -10.027 1.00 24.33 N ATOM 411 CA VAL A 27 -2.097 -5.477 -10.849 1.00 42.14 C ATOM 412 C VAL A 27 -0.585 -5.252 -10.773 1.00 33.42 C ATOM 413 O VAL A 27 -0.133 -4.174 -10.392 1.00 41.33 O ATOM 414 CB VAL A 27 -2.637 -5.425 -12.280 1.00 12.52 C ATOM 415 CG1 VAL A 27 -4.166 -5.355 -12.286 1.00 64.13 C ATOM 416 CG2 VAL A 27 -2.032 -4.251 -13.052 1.00 44.31 C ATOM 0 H VAL A 27 -2.774 -3.542 -10.412 1.00 24.33 H new ATOM 0 HA VAL A 27 -2.296 -6.482 -10.476 1.00 42.14 H new ATOM 0 HB VAL A 27 -2.341 -6.345 -12.784 1.00 12.52 H new ATOM 0 HG11 VAL A 27 -4.525 -5.319 -13.315 1.00 64.13 H new ATOM 0 HG12 VAL A 27 -4.573 -6.237 -11.791 1.00 64.13 H new ATOM 0 HG13 VAL A 27 -4.491 -4.459 -11.757 1.00 64.13 H new ATOM 0 HG21 VAL A 27 -2.432 -4.237 -14.066 1.00 44.31 H new ATOM 0 HG22 VAL A 27 -2.284 -3.317 -12.550 1.00 44.31 H new ATOM 0 HG23 VAL A 27 -0.948 -4.361 -13.091 1.00 44.31 H new ATOM 426 N SER A 28 0.154 -6.289 -11.140 1.00 50.43 N ATOM 427 CA SER A 28 1.605 -6.218 -11.118 1.00 61.00 C ATOM 428 C SER A 28 2.173 -6.695 -12.456 1.00 71.23 C ATOM 429 O SER A 28 1.728 -7.705 -12.999 1.00 35.10 O ATOM 430 CB SER A 28 2.179 -7.051 -9.971 1.00 24.24 C ATOM 431 OG SER A 28 3.383 -6.490 -9.454 1.00 64.41 O ATOM 0 H SER A 28 -0.225 -7.182 -11.454 1.00 50.43 H new ATOM 0 HA SER A 28 1.894 -5.179 -10.958 1.00 61.00 H new ATOM 0 HB2 SER A 28 1.441 -7.125 -9.172 1.00 24.24 H new ATOM 0 HB3 SER A 28 2.373 -8.065 -10.321 1.00 24.24 H new ATOM 0 HG SER A 28 3.717 -7.050 -8.722 1.00 64.41 H new ATOM 437 N PRO A 29 3.174 -5.926 -12.963 1.00 75.10 N ATOM 438 CA PRO A 29 3.642 -4.746 -12.256 1.00 74.03 C ATOM 439 C PRO A 29 2.643 -3.595 -12.389 1.00 55.24 C ATOM 440 O PRO A 29 1.891 -3.530 -13.361 1.00 42.51 O ATOM 441 CB PRO A 29 4.996 -4.431 -12.870 1.00 70.21 C ATOM 442 CG PRO A 29 5.028 -5.159 -14.204 1.00 65.30 C ATOM 443 CD PRO A 29 3.883 -6.159 -14.217 1.00 43.35 C ATOM 0 HA PRO A 29 3.734 -4.908 -11.182 1.00 74.03 H new ATOM 0 HB2 PRO A 29 5.122 -3.357 -13.008 1.00 70.21 H new ATOM 0 HB3 PRO A 29 5.806 -4.766 -12.222 1.00 70.21 H new ATOM 0 HG2 PRO A 29 4.927 -4.452 -15.027 1.00 65.30 H new ATOM 0 HG3 PRO A 29 5.982 -5.669 -14.338 1.00 65.30 H new ATOM 0 HD2 PRO A 29 3.230 -6.003 -15.076 1.00 43.35 H new ATOM 0 HD3 PRO A 29 4.252 -7.183 -14.279 1.00 43.35 H new ATOM 451 N THR A 30 2.667 -2.715 -11.399 1.00 35.31 N ATOM 452 CA THR A 30 1.772 -1.570 -11.393 1.00 43.02 C ATOM 453 C THR A 30 2.141 -0.600 -12.518 1.00 33.32 C ATOM 454 O THR A 30 3.250 -0.071 -12.547 1.00 45.22 O ATOM 455 CB THR A 30 1.826 -0.935 -10.002 1.00 73.40 C ATOM 456 OG1 THR A 30 3.215 -0.910 -9.685 1.00 53.43 O ATOM 457 CG2 THR A 30 1.215 -1.834 -8.925 1.00 15.12 C ATOM 0 H THR A 30 3.292 -2.772 -10.595 1.00 35.31 H new ATOM 0 HA THR A 30 0.743 -1.871 -11.589 1.00 43.02 H new ATOM 0 HB THR A 30 1.302 0.021 -10.019 1.00 73.40 H new ATOM 0 HG1 THR A 30 3.716 -0.532 -10.438 1.00 53.43 H new ATOM 0 HG21 THR A 30 1.279 -1.337 -7.957 1.00 15.12 H new ATOM 0 HG22 THR A 30 0.170 -2.030 -9.164 1.00 15.12 H new ATOM 0 HG23 THR A 30 1.761 -2.777 -8.885 1.00 15.12 H new ATOM 465 N GLY A 31 1.188 -0.397 -13.416 1.00 63.22 N ATOM 466 CA GLY A 31 1.399 0.499 -14.540 1.00 55.41 C ATOM 467 C GLY A 31 0.827 1.888 -14.248 1.00 4.53 C ATOM 468 O GLY A 31 0.782 2.315 -13.095 1.00 25.01 O ATOM 0 H GLY A 31 0.268 -0.837 -13.388 1.00 63.22 H new ATOM 0 HA2 GLY A 31 2.465 0.578 -14.752 1.00 55.41 H new ATOM 0 HA3 GLY A 31 0.927 0.087 -15.432 1.00 55.41 H new ATOM 472 N ILE A 32 0.405 2.556 -15.312 1.00 24.33 N ATOM 473 CA ILE A 32 -0.161 3.888 -15.184 1.00 30.43 C ATOM 474 C ILE A 32 -1.057 3.939 -13.945 1.00 14.12 C ATOM 475 O ILE A 32 -1.752 2.972 -13.637 1.00 14.35 O ATOM 476 CB ILE A 32 -0.873 4.293 -16.476 1.00 14.35 C ATOM 477 CG1 ILE A 32 0.114 4.386 -17.641 1.00 21.25 C ATOM 478 CG2 ILE A 32 -1.658 5.593 -16.284 1.00 45.22 C ATOM 479 CD1 ILE A 32 -0.623 4.477 -18.978 1.00 61.02 C ATOM 0 H ILE A 32 0.444 2.199 -16.267 1.00 24.33 H new ATOM 0 HA ILE A 32 0.628 4.626 -15.038 1.00 30.43 H new ATOM 0 HB ILE A 32 -1.594 3.515 -16.727 1.00 14.35 H new ATOM 0 HG12 ILE A 32 0.752 5.261 -17.513 1.00 21.25 H new ATOM 0 HG13 ILE A 32 0.766 3.513 -17.640 1.00 21.25 H new ATOM 0 HG21 ILE A 32 -2.155 5.859 -17.217 1.00 45.22 H new ATOM 0 HG22 ILE A 32 -2.404 5.455 -15.502 1.00 45.22 H new ATOM 0 HG23 ILE A 32 -0.974 6.392 -15.996 1.00 45.22 H new ATOM 0 HD11 ILE A 32 0.102 4.542 -19.789 1.00 61.02 H new ATOM 0 HD12 ILE A 32 -1.241 3.589 -19.114 1.00 61.02 H new ATOM 0 HD13 ILE A 32 -1.256 5.364 -18.985 1.00 61.02 H new ATOM 491 N PRO A 33 -1.011 5.107 -13.250 1.00 51.31 N ATOM 492 CA PRO A 33 -1.810 5.298 -12.052 1.00 34.42 C ATOM 493 C PRO A 33 -3.282 5.525 -12.404 1.00 43.55 C ATOM 494 O PRO A 33 -3.593 6.056 -13.469 1.00 55.43 O ATOM 495 CB PRO A 33 -1.179 6.484 -11.342 1.00 11.10 C ATOM 496 CG PRO A 33 -0.345 7.202 -12.391 1.00 34.11 C ATOM 497 CD PRO A 33 -0.200 6.274 -13.586 1.00 24.33 C ATOM 0 HA PRO A 33 -1.814 4.420 -11.405 1.00 34.42 H new ATOM 0 HB2 PRO A 33 -1.942 7.144 -10.931 1.00 11.10 H new ATOM 0 HB3 PRO A 33 -0.559 6.155 -10.508 1.00 11.10 H new ATOM 0 HG2 PRO A 33 -0.825 8.134 -12.688 1.00 34.11 H new ATOM 0 HG3 PRO A 33 0.634 7.462 -11.988 1.00 34.11 H new ATOM 0 HD2 PRO A 33 -0.551 6.750 -14.502 1.00 24.33 H new ATOM 0 HD3 PRO A 33 0.842 5.998 -13.749 1.00 24.33 H new ATOM 505 N ALA A 34 -4.147 5.113 -11.490 1.00 31.20 N ATOM 506 CA ALA A 34 -5.578 5.265 -11.691 1.00 11.40 C ATOM 507 C ALA A 34 -5.922 6.754 -11.769 1.00 42.21 C ATOM 508 O ALA A 34 -7.024 7.120 -12.175 1.00 42.11 O ATOM 509 CB ALA A 34 -6.331 4.551 -10.566 1.00 43.54 C ATOM 0 H ALA A 34 -3.885 4.674 -10.608 1.00 31.20 H new ATOM 0 HA ALA A 34 -5.884 4.806 -12.631 1.00 11.40 H new ATOM 0 HB1 ALA A 34 -7.404 4.665 -10.717 1.00 43.54 H new ATOM 0 HB2 ALA A 34 -6.074 3.492 -10.572 1.00 43.54 H new ATOM 0 HB3 ALA A 34 -6.051 4.987 -9.607 1.00 43.54 H new ATOM 515 N GLU A 35 -4.958 7.573 -11.374 1.00 20.12 N ATOM 516 CA GLU A 35 -5.145 9.014 -11.394 1.00 22.30 C ATOM 517 C GLU A 35 -4.939 9.556 -12.810 1.00 24.03 C ATOM 518 O GLU A 35 -5.219 10.723 -13.078 1.00 53.13 O ATOM 519 CB GLU A 35 -4.206 9.702 -10.401 1.00 52.21 C ATOM 520 CG GLU A 35 -2.793 9.823 -10.976 1.00 13.24 C ATOM 521 CD GLU A 35 -1.753 9.919 -9.858 1.00 32.04 C ATOM 522 OE1 GLU A 35 -0.557 10.085 -10.137 1.00 4.53 O ATOM 523 OE2 GLU A 35 -2.227 9.815 -8.662 1.00 43.31 O ATOM 0 H GLU A 35 -4.045 7.266 -11.038 1.00 20.12 H new ATOM 0 HA GLU A 35 -6.168 9.233 -11.088 1.00 22.30 H new ATOM 0 HB2 GLU A 35 -4.590 10.693 -10.159 1.00 52.21 H new ATOM 0 HB3 GLU A 35 -4.176 9.135 -9.470 1.00 52.21 H new ATOM 0 HG2 GLU A 35 -2.577 8.959 -11.605 1.00 13.24 H new ATOM 0 HG3 GLU A 35 -2.730 10.705 -11.613 1.00 13.24 H new ATOM 531 N ASP A 36 -4.450 8.683 -13.678 1.00 63.11 N ATOM 532 CA ASP A 36 -4.203 9.059 -15.060 1.00 3.54 C ATOM 533 C ASP A 36 -5.352 8.555 -15.934 1.00 50.15 C ATOM 534 O ASP A 36 -5.396 8.837 -17.131 1.00 10.10 O ATOM 535 CB ASP A 36 -2.905 8.435 -15.577 1.00 54.01 C ATOM 536 CG ASP A 36 -2.158 9.268 -16.620 1.00 41.22 C ATOM 537 OD1 ASP A 36 -2.482 9.234 -17.817 1.00 22.34 O ATOM 538 OD2 ASP A 36 -1.192 9.985 -16.155 1.00 1.43 O ATOM 0 H ASP A 36 -4.218 7.716 -13.451 1.00 63.11 H new ATOM 0 HA ASP A 36 -4.123 10.145 -15.105 1.00 3.54 H new ATOM 0 HB2 ASP A 36 -2.241 8.260 -14.730 1.00 54.01 H new ATOM 0 HB3 ASP A 36 -3.135 7.461 -16.009 1.00 54.01 H new ATOM 544 N ILE A 37 -6.254 7.818 -15.304 1.00 31.14 N ATOM 545 CA ILE A 37 -7.401 7.272 -16.010 1.00 24.44 C ATOM 546 C ILE A 37 -8.116 8.397 -16.759 1.00 50.15 C ATOM 547 O ILE A 37 -8.418 8.265 -17.944 1.00 61.55 O ATOM 548 CB ILE A 37 -8.306 6.502 -15.046 1.00 73.01 C ATOM 549 CG1 ILE A 37 -7.922 5.022 -14.997 1.00 21.25 C ATOM 550 CG2 ILE A 37 -9.781 6.700 -15.403 1.00 62.35 C ATOM 551 CD1 ILE A 37 -9.013 4.195 -14.313 1.00 64.30 C ATOM 0 H ILE A 37 -6.214 7.586 -14.312 1.00 31.14 H new ATOM 0 HA ILE A 37 -7.079 6.546 -16.757 1.00 24.44 H new ATOM 0 HB ILE A 37 -8.160 6.906 -14.044 1.00 73.01 H new ATOM 0 HG12 ILE A 37 -7.760 4.651 -16.009 1.00 21.25 H new ATOM 0 HG13 ILE A 37 -6.981 4.904 -14.460 1.00 21.25 H new ATOM 0 HG21 ILE A 37 -10.403 6.142 -14.703 1.00 62.35 H new ATOM 0 HG22 ILE A 37 -10.030 7.760 -15.345 1.00 62.35 H new ATOM 0 HG23 ILE A 37 -9.962 6.339 -16.416 1.00 62.35 H new ATOM 0 HD11 ILE A 37 -8.715 3.147 -14.291 1.00 64.30 H new ATOM 0 HD12 ILE A 37 -9.155 4.553 -13.293 1.00 64.30 H new ATOM 0 HD13 ILE A 37 -9.947 4.296 -14.867 1.00 64.30 H new ATOM 563 N PRO A 38 -8.373 9.508 -16.019 1.00 12.41 N ATOM 564 CA PRO A 38 -9.047 10.656 -16.601 1.00 54.31 C ATOM 565 C PRO A 38 -8.104 11.441 -17.515 1.00 1.34 C ATOM 566 O PRO A 38 -8.532 12.358 -18.215 1.00 22.51 O ATOM 567 CB PRO A 38 -9.537 11.469 -15.414 1.00 31.14 C ATOM 568 CG PRO A 38 -8.723 10.996 -14.220 1.00 62.34 C ATOM 569 CD PRO A 38 -8.030 9.701 -14.613 1.00 33.12 C ATOM 0 HA PRO A 38 -9.881 10.372 -17.244 1.00 54.31 H new ATOM 0 HB2 PRO A 38 -9.394 12.536 -15.586 1.00 31.14 H new ATOM 0 HB3 PRO A 38 -10.603 11.313 -15.247 1.00 31.14 H new ATOM 0 HG2 PRO A 38 -7.990 11.750 -13.935 1.00 62.34 H new ATOM 0 HG3 PRO A 38 -9.369 10.837 -13.356 1.00 62.34 H new ATOM 0 HD2 PRO A 38 -6.951 9.772 -14.475 1.00 33.12 H new ATOM 0 HD3 PRO A 38 -8.375 8.866 -14.003 1.00 33.12 H new ATOM 577 N ARG A 39 -6.838 11.053 -17.478 1.00 4.21 N ATOM 578 CA ARG A 39 -5.830 11.709 -18.294 1.00 1.12 C ATOM 579 C ARG A 39 -5.584 10.912 -19.576 1.00 73.15 C ATOM 580 O ARG A 39 -5.120 11.462 -20.574 1.00 20.20 O ATOM 581 CB ARG A 39 -4.512 11.853 -17.531 1.00 3.22 C ATOM 582 CG ARG A 39 -4.668 12.801 -16.340 1.00 34.22 C ATOM 583 CD ARG A 39 -3.427 12.768 -15.446 1.00 44.54 C ATOM 584 NE ARG A 39 -2.414 13.722 -15.953 1.00 30.34 N ATOM 585 CZ ARG A 39 -1.536 13.440 -16.938 1.00 43.24 C ATOM 586 NH1 ARG A 39 -1.539 12.228 -17.533 1.00 44.33 N ATOM 587 NH2 ARG A 39 -0.674 14.368 -17.312 1.00 22.32 N ATOM 0 H ARG A 39 -6.487 10.293 -16.896 1.00 4.21 H new ATOM 0 HA ARG A 39 -6.202 12.702 -18.545 1.00 1.12 H new ATOM 0 HB2 ARG A 39 -4.182 10.875 -17.181 1.00 3.22 H new ATOM 0 HB3 ARG A 39 -3.739 12.229 -18.201 1.00 3.22 H new ATOM 0 HG2 ARG A 39 -4.835 13.817 -16.699 1.00 34.22 H new ATOM 0 HG3 ARG A 39 -5.546 12.519 -15.759 1.00 34.22 H new ATOM 0 HD2 ARG A 39 -3.699 13.023 -14.422 1.00 44.54 H new ATOM 0 HD3 ARG A 39 -3.011 11.761 -15.423 1.00 44.54 H new ATOM 0 HE ARG A 39 -2.378 14.650 -15.531 1.00 30.34 H new ATOM 0 HH11 ARG A 39 -2.209 11.517 -17.239 1.00 44.33 H new ATOM 0 HH12 ARG A 39 -0.872 12.023 -18.277 1.00 44.33 H new ATOM 0 HH21 ARG A 39 -0.679 15.281 -16.858 1.00 22.32 H new ATOM 0 HH22 ARG A 39 -0.003 14.171 -18.055 1.00 22.32 H new ATOM 600 N LEU A 40 -5.907 9.629 -19.509 1.00 30.33 N ATOM 601 CA LEU A 40 -5.727 8.750 -20.652 1.00 52.43 C ATOM 602 C LEU A 40 -6.892 8.943 -21.626 1.00 21.34 C ATOM 603 O LEU A 40 -6.767 8.650 -22.814 1.00 14.02 O ATOM 604 CB LEU A 40 -5.543 7.303 -20.192 1.00 63.13 C ATOM 605 CG LEU A 40 -4.299 7.021 -19.347 1.00 11.35 C ATOM 606 CD1 LEU A 40 -4.468 5.735 -18.535 1.00 2.40 C ATOM 607 CD2 LEU A 40 -3.040 6.989 -20.216 1.00 15.41 C ATOM 0 H LEU A 40 -6.293 9.177 -18.680 1.00 30.33 H new ATOM 0 HA LEU A 40 -4.815 9.007 -21.190 1.00 52.43 H new ATOM 0 HB2 LEU A 40 -6.422 7.011 -19.618 1.00 63.13 H new ATOM 0 HB3 LEU A 40 -5.511 6.663 -21.074 1.00 63.13 H new ATOM 0 HG LEU A 40 -4.178 7.838 -18.636 1.00 11.35 H new ATOM 0 HD11 LEU A 40 -3.570 5.558 -17.943 1.00 2.40 H new ATOM 0 HD12 LEU A 40 -5.326 5.834 -17.871 1.00 2.40 H new ATOM 0 HD13 LEU A 40 -4.628 4.896 -19.212 1.00 2.40 H new ATOM 0 HD21 LEU A 40 -2.171 6.787 -19.590 1.00 15.41 H new ATOM 0 HD22 LEU A 40 -3.136 6.205 -20.967 1.00 15.41 H new ATOM 0 HD23 LEU A 40 -2.915 7.952 -20.711 1.00 15.41 H new ATOM 619 N ILE A 41 -7.998 9.433 -21.086 1.00 2.55 N ATOM 620 CA ILE A 41 -9.184 9.668 -21.891 1.00 42.25 C ATOM 621 C ILE A 41 -8.830 10.600 -23.052 1.00 12.40 C ATOM 622 O ILE A 41 -8.139 11.600 -22.862 1.00 14.25 O ATOM 623 CB ILE A 41 -10.332 10.180 -21.019 1.00 43.30 C ATOM 624 CG1 ILE A 41 -10.537 9.280 -19.799 1.00 73.34 C ATOM 625 CG2 ILE A 41 -11.614 10.338 -21.838 1.00 14.21 C ATOM 626 CD1 ILE A 41 -11.969 9.391 -19.271 1.00 21.21 C ATOM 0 H ILE A 41 -8.098 9.674 -20.100 1.00 2.55 H new ATOM 0 HA ILE A 41 -9.539 8.734 -22.327 1.00 42.25 H new ATOM 0 HB ILE A 41 -10.064 11.169 -20.647 1.00 43.30 H new ATOM 0 HG12 ILE A 41 -10.323 8.245 -20.066 1.00 73.34 H new ATOM 0 HG13 ILE A 41 -9.834 9.559 -19.014 1.00 73.34 H new ATOM 0 HG21 ILE A 41 -12.414 10.703 -21.194 1.00 14.21 H new ATOM 0 HG22 ILE A 41 -11.444 11.050 -22.646 1.00 14.21 H new ATOM 0 HG23 ILE A 41 -11.898 9.373 -22.259 1.00 14.21 H new ATOM 0 HD11 ILE A 41 -12.088 8.741 -18.404 1.00 21.21 H new ATOM 0 HD12 ILE A 41 -12.171 10.422 -18.982 1.00 21.21 H new ATOM 0 HD13 ILE A 41 -12.669 9.088 -20.050 1.00 21.21 H new ATOM 638 N SER A 42 -9.320 10.240 -24.229 1.00 71.10 N ATOM 639 CA SER A 42 -9.064 11.032 -25.420 1.00 75.53 C ATOM 640 C SER A 42 -7.721 10.633 -26.035 1.00 11.41 C ATOM 641 O SER A 42 -7.404 11.032 -27.154 1.00 42.53 O ATOM 642 CB SER A 42 -9.079 12.528 -25.101 1.00 34.30 C ATOM 643 OG SER A 42 -9.501 13.308 -26.217 1.00 33.54 O ATOM 0 H SER A 42 -9.893 9.410 -24.383 1.00 71.10 H new ATOM 0 HA SER A 42 -9.859 10.834 -26.139 1.00 75.53 H new ATOM 0 HB2 SER A 42 -9.745 12.712 -24.258 1.00 34.30 H new ATOM 0 HB3 SER A 42 -8.082 12.843 -24.795 1.00 34.30 H new ATOM 0 HG SER A 42 -9.499 14.257 -25.972 1.00 33.54 H new ATOM 649 N MET A 43 -6.968 9.851 -25.276 1.00 1.33 N ATOM 650 CA MET A 43 -5.666 9.395 -25.732 1.00 21.34 C ATOM 651 C MET A 43 -5.743 7.963 -26.266 1.00 11.03 C ATOM 652 O MET A 43 -6.320 7.087 -25.623 1.00 52.21 O ATOM 653 CB MET A 43 -4.669 9.454 -24.572 1.00 52.33 C ATOM 654 CG MET A 43 -4.881 10.715 -23.732 1.00 21.05 C ATOM 655 SD MET A 43 -3.318 11.288 -23.087 1.00 52.52 S ATOM 656 CE MET A 43 -2.532 9.723 -22.742 1.00 40.54 C ATOM 0 H MET A 43 -7.235 9.521 -24.348 1.00 1.33 H new ATOM 0 HA MET A 43 -5.336 10.048 -26.540 1.00 21.34 H new ATOM 0 HB2 MET A 43 -4.783 8.571 -23.944 1.00 52.33 H new ATOM 0 HB3 MET A 43 -3.651 9.439 -24.961 1.00 52.33 H new ATOM 0 HG2 MET A 43 -5.341 11.494 -24.340 1.00 21.05 H new ATOM 0 HG3 MET A 43 -5.567 10.505 -22.912 1.00 21.05 H new ATOM 0 HE1 MET A 43 -1.987 9.789 -21.800 1.00 40.54 H new ATOM 0 HE2 MET A 43 -3.290 8.943 -22.669 1.00 40.54 H new ATOM 0 HE3 MET A 43 -1.838 9.479 -23.546 1.00 40.54 H new ATOM 666 N GLN A 44 -5.153 7.769 -27.436 1.00 52.51 N ATOM 667 CA GLN A 44 -5.148 6.459 -28.064 1.00 1.10 C ATOM 668 C GLN A 44 -3.875 5.696 -27.690 1.00 13.40 C ATOM 669 O GLN A 44 -2.826 6.301 -27.474 1.00 31.14 O ATOM 670 CB GLN A 44 -5.289 6.578 -29.583 1.00 13.23 C ATOM 671 CG GLN A 44 -6.409 7.552 -29.954 1.00 40.44 C ATOM 672 CD GLN A 44 -6.245 8.054 -31.390 1.00 42.15 C ATOM 673 OE1 GLN A 44 -5.907 9.200 -31.641 1.00 32.45 O ATOM 674 NE2 GLN A 44 -6.502 7.135 -32.317 1.00 43.42 N ATOM 0 H GLN A 44 -4.675 8.498 -27.966 1.00 52.51 H new ATOM 0 HA GLN A 44 -6.007 5.898 -27.695 1.00 1.10 H new ATOM 0 HB2 GLN A 44 -4.348 6.919 -30.014 1.00 13.23 H new ATOM 0 HB3 GLN A 44 -5.498 5.597 -30.011 1.00 13.23 H new ATOM 0 HG2 GLN A 44 -7.375 7.059 -29.845 1.00 40.44 H new ATOM 0 HG3 GLN A 44 -6.403 8.398 -29.266 1.00 40.44 H new ATOM 0 HE21 GLN A 44 -6.780 6.194 -32.039 1.00 43.42 H new ATOM 0 HE22 GLN A 44 -6.421 7.371 -33.306 1.00 43.42 H new ATOM 683 N VAL A 45 -4.010 4.380 -27.625 1.00 70.03 N ATOM 684 CA VAL A 45 -2.884 3.528 -27.281 1.00 50.51 C ATOM 685 C VAL A 45 -1.985 3.359 -28.508 1.00 32.45 C ATOM 686 O VAL A 45 -2.456 3.432 -29.642 1.00 21.14 O ATOM 687 CB VAL A 45 -3.387 2.197 -26.720 1.00 11.14 C ATOM 688 CG1 VAL A 45 -3.939 2.373 -25.304 1.00 31.04 C ATOM 689 CG2 VAL A 45 -4.435 1.574 -27.643 1.00 73.44 C ATOM 0 H VAL A 45 -4.882 3.882 -27.805 1.00 70.03 H new ATOM 0 HA VAL A 45 -2.282 3.988 -26.498 1.00 50.51 H new ATOM 0 HB VAL A 45 -2.539 1.514 -26.667 1.00 11.14 H new ATOM 0 HG11 VAL A 45 -4.290 1.412 -24.928 1.00 31.04 H new ATOM 0 HG12 VAL A 45 -3.153 2.752 -24.651 1.00 31.04 H new ATOM 0 HG13 VAL A 45 -4.768 3.080 -25.322 1.00 31.04 H new ATOM 0 HG21 VAL A 45 -4.776 0.629 -27.221 1.00 73.44 H new ATOM 0 HG22 VAL A 45 -5.282 2.253 -27.743 1.00 73.44 H new ATOM 0 HG23 VAL A 45 -3.995 1.395 -28.624 1.00 73.44 H new ATOM 699 N ASN A 46 -0.707 3.135 -28.238 1.00 73.25 N ATOM 700 CA ASN A 46 0.262 2.954 -29.306 1.00 73.20 C ATOM 701 C ASN A 46 0.584 1.465 -29.449 1.00 44.11 C ATOM 702 O ASN A 46 1.694 1.101 -29.836 1.00 11.12 O ATOM 703 CB ASN A 46 1.565 3.693 -28.997 1.00 64.45 C ATOM 704 CG ASN A 46 2.273 3.075 -27.790 1.00 22.21 C ATOM 705 OD1 ASN A 46 2.478 1.875 -27.704 1.00 54.04 O ATOM 706 ND2 ASN A 46 2.635 3.959 -26.864 1.00 73.42 N ATOM 0 H ASN A 46 -0.320 3.075 -27.296 1.00 73.25 H new ATOM 0 HA ASN A 46 -0.169 3.352 -30.225 1.00 73.20 H new ATOM 0 HB2 ASN A 46 2.222 3.658 -29.866 1.00 64.45 H new ATOM 0 HB3 ASN A 46 1.353 4.744 -28.800 1.00 64.45 H new ATOM 0 HD21 ASN A 46 3.115 3.646 -26.020 1.00 73.42 H new ATOM 0 HD22 ASN A 46 2.433 4.950 -26.998 1.00 73.42 H new ATOM 713 N GLN A 47 -0.405 0.644 -29.129 1.00 54.44 N ATOM 714 CA GLN A 47 -0.241 -0.797 -29.217 1.00 42.44 C ATOM 715 C GLN A 47 -1.546 -1.504 -28.846 1.00 42.42 C ATOM 716 O GLN A 47 -2.407 -0.920 -28.191 1.00 15.24 O ATOM 717 CB GLN A 47 0.912 -1.272 -28.331 1.00 12.04 C ATOM 718 CG GLN A 47 0.820 -2.777 -28.072 1.00 70.22 C ATOM 719 CD GLN A 47 1.983 -3.256 -27.201 1.00 10.12 C ATOM 720 OE1 GLN A 47 2.679 -4.207 -27.517 1.00 1.30 O ATOM 721 NE2 GLN A 47 2.154 -2.546 -26.089 1.00 50.02 N ATOM 0 H GLN A 47 -1.324 0.950 -28.808 1.00 54.44 H new ATOM 0 HA GLN A 47 0.007 -1.053 -30.247 1.00 42.44 H new ATOM 0 HB2 GLN A 47 1.863 -1.039 -28.810 1.00 12.04 H new ATOM 0 HB3 GLN A 47 0.892 -0.734 -27.383 1.00 12.04 H new ATOM 0 HG2 GLN A 47 -0.126 -3.008 -27.581 1.00 70.22 H new ATOM 0 HG3 GLN A 47 0.826 -3.314 -29.021 1.00 70.22 H new ATOM 0 HE21 GLN A 47 1.535 -1.761 -25.885 1.00 50.02 H new ATOM 0 HE22 GLN A 47 2.904 -2.786 -25.441 1.00 50.02 H new ATOM 730 N VAL A 48 -1.651 -2.751 -29.281 1.00 44.43 N ATOM 731 CA VAL A 48 -2.836 -3.543 -29.003 1.00 31.41 C ATOM 732 C VAL A 48 -2.769 -4.066 -27.566 1.00 51.15 C ATOM 733 O VAL A 48 -1.969 -4.948 -27.260 1.00 21.32 O ATOM 734 CB VAL A 48 -2.974 -4.660 -30.040 1.00 31.24 C ATOM 735 CG1 VAL A 48 -3.732 -5.856 -29.460 1.00 12.14 C ATOM 736 CG2 VAL A 48 -3.651 -4.147 -31.312 1.00 42.40 C ATOM 0 H VAL A 48 -0.934 -3.232 -29.824 1.00 44.43 H new ATOM 0 HA VAL A 48 -3.733 -2.930 -29.084 1.00 31.41 H new ATOM 0 HB VAL A 48 -1.972 -4.995 -30.306 1.00 31.24 H new ATOM 0 HG11 VAL A 48 -3.816 -6.635 -30.217 1.00 12.14 H new ATOM 0 HG12 VAL A 48 -3.192 -6.245 -28.597 1.00 12.14 H new ATOM 0 HG13 VAL A 48 -4.729 -5.540 -29.152 1.00 12.14 H new ATOM 0 HG21 VAL A 48 -3.737 -4.961 -32.032 1.00 42.40 H new ATOM 0 HG22 VAL A 48 -4.645 -3.771 -31.069 1.00 42.40 H new ATOM 0 HG23 VAL A 48 -3.055 -3.343 -31.743 1.00 42.40 H new ATOM 746 N VAL A 49 -3.620 -3.499 -26.724 1.00 52.02 N ATOM 747 CA VAL A 49 -3.668 -3.897 -25.327 1.00 43.44 C ATOM 748 C VAL A 49 -4.984 -4.628 -25.054 1.00 43.23 C ATOM 749 O VAL A 49 -6.061 -4.056 -25.214 1.00 3.41 O ATOM 750 CB VAL A 49 -3.465 -2.675 -24.428 1.00 63.34 C ATOM 751 CG1 VAL A 49 -3.822 -1.385 -25.168 1.00 42.42 C ATOM 752 CG2 VAL A 49 -4.271 -2.807 -23.135 1.00 3.24 C ATOM 0 H VAL A 49 -4.282 -2.767 -26.982 1.00 52.02 H new ATOM 0 HA VAL A 49 -2.858 -4.590 -25.099 1.00 43.44 H new ATOM 0 HB VAL A 49 -2.409 -2.626 -24.161 1.00 63.34 H new ATOM 0 HG11 VAL A 49 -3.669 -0.532 -24.507 1.00 42.42 H new ATOM 0 HG12 VAL A 49 -3.186 -1.282 -26.047 1.00 42.42 H new ATOM 0 HG13 VAL A 49 -4.866 -1.421 -25.478 1.00 42.42 H new ATOM 0 HG21 VAL A 49 -4.109 -1.926 -22.514 1.00 3.24 H new ATOM 0 HG22 VAL A 49 -5.331 -2.893 -23.374 1.00 3.24 H new ATOM 0 HG23 VAL A 49 -3.948 -3.696 -22.594 1.00 3.24 H new ATOM 762 N PRO A 50 -4.850 -5.915 -24.636 1.00 61.03 N ATOM 763 CA PRO A 50 -6.015 -6.730 -24.339 1.00 73.54 C ATOM 764 C PRO A 50 -6.642 -6.325 -23.004 1.00 31.42 C ATOM 765 O PRO A 50 -6.024 -5.612 -22.215 1.00 32.11 O ATOM 766 CB PRO A 50 -5.506 -8.162 -24.347 1.00 24.45 C ATOM 767 CG PRO A 50 -3.997 -8.069 -24.186 1.00 0.32 C ATOM 768 CD PRO A 50 -3.590 -6.626 -24.436 1.00 14.31 C ATOM 0 HA PRO A 50 -6.815 -6.602 -25.068 1.00 73.54 H new ATOM 0 HB2 PRO A 50 -5.950 -8.739 -23.536 1.00 24.45 H new ATOM 0 HB3 PRO A 50 -5.769 -8.665 -25.278 1.00 24.45 H new ATOM 0 HG2 PRO A 50 -3.700 -8.382 -23.185 1.00 0.32 H new ATOM 0 HG3 PRO A 50 -3.496 -8.734 -24.889 1.00 0.32 H new ATOM 0 HD2 PRO A 50 -3.035 -6.219 -23.591 1.00 14.31 H new ATOM 0 HD3 PRO A 50 -2.945 -6.542 -25.311 1.00 14.31 H new ATOM 776 N MET A 51 -7.861 -6.798 -22.791 1.00 74.42 N ATOM 777 CA MET A 51 -8.579 -6.495 -21.565 1.00 4.44 C ATOM 778 C MET A 51 -7.900 -7.144 -20.357 1.00 63.42 C ATOM 779 O MET A 51 -7.739 -8.363 -20.312 1.00 71.12 O ATOM 780 CB MET A 51 -10.018 -7.002 -21.676 1.00 2.14 C ATOM 781 CG MET A 51 -10.782 -6.773 -20.370 1.00 21.21 C ATOM 782 SD MET A 51 -12.472 -7.320 -20.548 1.00 24.44 S ATOM 783 CE MET A 51 -12.204 -9.060 -20.846 1.00 54.23 C ATOM 0 H MET A 51 -8.370 -7.390 -23.448 1.00 74.42 H new ATOM 0 HA MET A 51 -8.576 -5.414 -21.423 1.00 4.44 H new ATOM 0 HB2 MET A 51 -10.526 -6.490 -22.493 1.00 2.14 H new ATOM 0 HB3 MET A 51 -10.015 -8.065 -21.918 1.00 2.14 H new ATOM 0 HG2 MET A 51 -10.299 -7.315 -19.557 1.00 21.21 H new ATOM 0 HG3 MET A 51 -10.759 -5.716 -20.106 1.00 21.21 H new ATOM 0 HE1 MET A 51 -12.989 -9.638 -20.358 1.00 54.23 H new ATOM 0 HE2 MET A 51 -12.225 -9.253 -21.919 1.00 54.23 H new ATOM 0 HE3 MET A 51 -11.234 -9.353 -20.444 1.00 54.23 H new ATOM 793 N GLY A 52 -7.519 -6.302 -19.408 1.00 54.20 N ATOM 794 CA GLY A 52 -6.862 -6.779 -18.203 1.00 45.25 C ATOM 795 C GLY A 52 -5.371 -6.434 -18.219 1.00 40.24 C ATOM 796 O GLY A 52 -4.712 -6.463 -17.181 1.00 72.21 O ATOM 0 H GLY A 52 -7.653 -5.292 -19.449 1.00 54.20 H new ATOM 0 HA2 GLY A 52 -7.333 -6.333 -17.327 1.00 45.25 H new ATOM 0 HA3 GLY A 52 -6.988 -7.858 -18.118 1.00 45.25 H new ATOM 800 N THR A 53 -4.883 -6.115 -19.409 1.00 41.41 N ATOM 801 CA THR A 53 -3.482 -5.764 -19.574 1.00 33.21 C ATOM 802 C THR A 53 -3.205 -4.383 -18.978 1.00 45.31 C ATOM 803 O THR A 53 -3.732 -3.379 -19.455 1.00 71.34 O ATOM 804 CB THR A 53 -3.142 -5.864 -21.062 1.00 52.32 C ATOM 805 OG1 THR A 53 -3.005 -7.263 -21.294 1.00 43.12 O ATOM 806 CG2 THR A 53 -1.759 -5.295 -21.386 1.00 52.31 C ATOM 0 H THR A 53 -5.432 -6.092 -20.268 1.00 41.41 H new ATOM 0 HA THR A 53 -2.835 -6.453 -19.031 1.00 33.21 H new ATOM 0 HB THR A 53 -3.897 -5.335 -21.643 1.00 52.32 H new ATOM 0 HG1 THR A 53 -2.261 -7.421 -21.912 1.00 43.12 H new ATOM 0 HG21 THR A 53 -1.567 -5.391 -22.455 1.00 52.31 H new ATOM 0 HG22 THR A 53 -1.723 -4.243 -21.104 1.00 52.31 H new ATOM 0 HG23 THR A 53 -1.000 -5.846 -20.831 1.00 52.31 H new ATOM 814 N THR A 54 -2.377 -4.375 -17.944 1.00 23.43 N ATOM 815 CA THR A 54 -2.022 -3.134 -17.278 1.00 14.55 C ATOM 816 C THR A 54 -1.590 -2.083 -18.302 1.00 74.05 C ATOM 817 O THR A 54 -0.787 -2.369 -19.189 1.00 10.01 O ATOM 818 CB THR A 54 -0.945 -3.446 -16.237 1.00 14.12 C ATOM 819 OG1 THR A 54 -1.371 -4.675 -15.655 1.00 12.14 O ATOM 820 CG2 THR A 54 -0.955 -2.457 -15.069 1.00 72.40 C ATOM 0 H THR A 54 -1.941 -5.209 -17.551 1.00 23.43 H new ATOM 0 HA THR A 54 -2.880 -2.705 -16.760 1.00 14.55 H new ATOM 0 HB THR A 54 0.035 -3.434 -16.714 1.00 14.12 H new ATOM 0 HG1 THR A 54 -0.609 -5.113 -15.221 1.00 12.14 H new ATOM 0 HG21 THR A 54 -0.172 -2.724 -14.360 1.00 72.40 H new ATOM 0 HG22 THR A 54 -0.777 -1.449 -15.444 1.00 72.40 H new ATOM 0 HG23 THR A 54 -1.924 -2.493 -14.570 1.00 72.40 H new ATOM 828 N LEU A 55 -2.143 -0.889 -18.147 1.00 41.11 N ATOM 829 CA LEU A 55 -1.825 0.206 -19.048 1.00 62.10 C ATOM 830 C LEU A 55 -0.484 0.821 -18.643 1.00 21.03 C ATOM 831 O LEU A 55 -0.253 1.096 -17.466 1.00 72.32 O ATOM 832 CB LEU A 55 -2.975 1.214 -19.094 1.00 31.35 C ATOM 833 CG LEU A 55 -3.125 2.002 -20.396 1.00 42.32 C ATOM 834 CD1 LEU A 55 -2.995 1.082 -21.612 1.00 13.52 C ATOM 835 CD2 LEU A 55 -4.435 2.792 -20.412 1.00 33.33 C ATOM 0 H LEU A 55 -2.809 -0.656 -17.411 1.00 41.11 H new ATOM 0 HA LEU A 55 -1.713 -0.161 -20.068 1.00 62.10 H new ATOM 0 HB2 LEU A 55 -3.907 0.681 -18.906 1.00 31.35 H new ATOM 0 HB3 LEU A 55 -2.843 1.923 -18.277 1.00 31.35 H new ATOM 0 HG LEU A 55 -2.312 2.726 -20.452 1.00 42.32 H new ATOM 0 HD11 LEU A 55 -3.106 1.668 -22.525 1.00 13.52 H new ATOM 0 HD12 LEU A 55 -2.015 0.604 -21.604 1.00 13.52 H new ATOM 0 HD13 LEU A 55 -3.771 0.318 -21.575 1.00 13.52 H new ATOM 0 HD21 LEU A 55 -4.516 3.343 -21.349 1.00 33.33 H new ATOM 0 HD22 LEU A 55 -5.276 2.104 -20.322 1.00 33.33 H new ATOM 0 HD23 LEU A 55 -4.448 3.492 -19.577 1.00 33.33 H new ATOM 847 N MET A 56 0.365 1.019 -19.640 1.00 45.21 N ATOM 848 CA MET A 56 1.677 1.597 -19.402 1.00 64.22 C ATOM 849 C MET A 56 1.755 3.025 -19.946 1.00 74.21 C ATOM 850 O MET A 56 0.937 3.422 -20.775 1.00 4.30 O ATOM 851 CB MET A 56 2.745 0.734 -20.078 1.00 42.42 C ATOM 852 CG MET A 56 3.057 -0.508 -19.242 1.00 32.25 C ATOM 853 SD MET A 56 4.373 -0.154 -18.089 1.00 15.44 S ATOM 854 CE MET A 56 3.561 -0.571 -16.554 1.00 63.34 C ATOM 0 H MET A 56 0.170 0.790 -20.615 1.00 45.21 H new ATOM 0 HA MET A 56 1.849 1.629 -18.326 1.00 64.22 H new ATOM 0 HB2 MET A 56 2.402 0.433 -21.068 1.00 42.42 H new ATOM 0 HB3 MET A 56 3.654 1.319 -20.220 1.00 42.42 H new ATOM 0 HG2 MET A 56 2.165 -0.826 -18.702 1.00 32.25 H new ATOM 0 HG3 MET A 56 3.346 -1.332 -19.894 1.00 32.25 H new ATOM 0 HE1 MET A 56 3.953 0.056 -15.753 1.00 63.34 H new ATOM 0 HE2 MET A 56 2.488 -0.405 -16.653 1.00 63.34 H new ATOM 0 HE3 MET A 56 3.746 -1.619 -16.318 1.00 63.34 H new ATOM 864 N PRO A 57 2.771 3.777 -19.445 1.00 31.34 N ATOM 865 CA PRO A 57 2.966 5.152 -19.871 1.00 75.12 C ATOM 866 C PRO A 57 3.570 5.210 -21.276 1.00 14.02 C ATOM 867 O PRO A 57 3.402 6.199 -21.987 1.00 53.41 O ATOM 868 CB PRO A 57 3.864 5.769 -18.812 1.00 62.01 C ATOM 869 CG PRO A 57 4.515 4.603 -18.087 1.00 24.52 C ATOM 870 CD PRO A 57 3.758 3.339 -18.462 1.00 12.23 C ATOM 0 HA PRO A 57 2.030 5.705 -19.950 1.00 75.12 H new ATOM 0 HB2 PRO A 57 4.615 6.416 -19.265 1.00 62.01 H new ATOM 0 HB3 PRO A 57 3.288 6.385 -18.122 1.00 62.01 H new ATOM 0 HG2 PRO A 57 5.565 4.517 -18.368 1.00 24.52 H new ATOM 0 HG3 PRO A 57 4.486 4.760 -17.009 1.00 24.52 H new ATOM 0 HD2 PRO A 57 4.426 2.586 -18.880 1.00 12.23 H new ATOM 0 HD3 PRO A 57 3.278 2.891 -17.591 1.00 12.23 H new ATOM 878 N ASP A 58 4.260 4.137 -21.633 1.00 50.22 N ATOM 879 CA ASP A 58 4.890 4.054 -22.940 1.00 33.40 C ATOM 880 C ASP A 58 3.977 3.279 -23.893 1.00 20.35 C ATOM 881 O ASP A 58 4.384 2.925 -24.998 1.00 43.20 O ATOM 882 CB ASP A 58 6.227 3.314 -22.861 1.00 11.54 C ATOM 883 CG ASP A 58 6.900 3.048 -24.209 1.00 13.42 C ATOM 884 OD1 ASP A 58 7.656 2.078 -24.365 1.00 34.11 O ATOM 885 OD2 ASP A 58 6.617 3.899 -25.136 1.00 50.14 O ATOM 0 H ASP A 58 4.397 3.318 -21.040 1.00 50.22 H new ATOM 0 HA ASP A 58 5.060 5.070 -23.297 1.00 33.40 H new ATOM 0 HB2 ASP A 58 6.910 3.893 -22.239 1.00 11.54 H new ATOM 0 HB3 ASP A 58 6.068 2.361 -22.357 1.00 11.54 H new ATOM 891 N MET A 59 2.760 3.037 -23.429 1.00 14.31 N ATOM 892 CA MET A 59 1.786 2.311 -24.226 1.00 33.32 C ATOM 893 C MET A 59 0.622 3.218 -24.631 1.00 43.01 C ATOM 894 O MET A 59 -0.431 2.736 -25.045 1.00 22.41 O ATOM 895 CB MET A 59 1.252 1.124 -23.422 1.00 35.32 C ATOM 896 CG MET A 59 2.134 -0.111 -23.616 1.00 34.41 C ATOM 897 SD MET A 59 1.166 -1.594 -23.388 1.00 64.22 S ATOM 898 CE MET A 59 0.203 -1.120 -21.962 1.00 24.20 C ATOM 0 H MET A 59 2.426 3.331 -22.511 1.00 14.31 H new ATOM 0 HA MET A 59 2.278 1.957 -25.132 1.00 33.32 H new ATOM 0 HB2 MET A 59 1.213 1.385 -22.364 1.00 35.32 H new ATOM 0 HB3 MET A 59 0.232 0.899 -23.733 1.00 35.32 H new ATOM 0 HG2 MET A 59 2.572 -0.102 -24.614 1.00 34.41 H new ATOM 0 HG3 MET A 59 2.960 -0.093 -22.905 1.00 34.41 H new ATOM 0 HE1 MET A 59 -0.580 -1.858 -21.790 1.00 24.20 H new ATOM 0 HE2 MET A 59 0.851 -1.068 -21.087 1.00 24.20 H new ATOM 0 HE3 MET A 59 -0.250 -0.144 -22.137 1.00 24.20 H new ATOM 908 N VAL A 60 0.852 4.516 -24.498 1.00 51.10 N ATOM 909 CA VAL A 60 -0.164 5.495 -24.845 1.00 40.23 C ATOM 910 C VAL A 60 0.490 6.658 -25.594 1.00 12.51 C ATOM 911 O VAL A 60 1.602 7.068 -25.263 1.00 35.30 O ATOM 912 CB VAL A 60 -0.914 5.940 -23.588 1.00 21.42 C ATOM 913 CG1 VAL A 60 -2.124 6.803 -23.948 1.00 14.21 C ATOM 914 CG2 VAL A 60 -1.332 4.734 -22.744 1.00 20.21 C ATOM 0 H VAL A 60 1.727 4.912 -24.155 1.00 51.10 H new ATOM 0 HA VAL A 60 -0.906 5.055 -25.511 1.00 40.23 H new ATOM 0 HB VAL A 60 -0.235 6.548 -22.990 1.00 21.42 H new ATOM 0 HG11 VAL A 60 -2.639 7.106 -23.036 1.00 14.21 H new ATOM 0 HG12 VAL A 60 -1.791 7.689 -24.488 1.00 14.21 H new ATOM 0 HG13 VAL A 60 -2.806 6.230 -24.577 1.00 14.21 H new ATOM 0 HG21 VAL A 60 -1.863 5.078 -21.856 1.00 20.21 H new ATOM 0 HG22 VAL A 60 -1.985 4.088 -23.331 1.00 20.21 H new ATOM 0 HG23 VAL A 60 -0.446 4.176 -22.443 1.00 20.21 H new ATOM 924 N LYS A 61 -0.228 7.158 -26.589 1.00 14.22 N ATOM 925 CA LYS A 61 0.268 8.266 -27.387 1.00 51.30 C ATOM 926 C LYS A 61 -0.155 9.586 -26.738 1.00 65.03 C ATOM 927 O LYS A 61 -1.188 9.653 -26.075 1.00 31.22 O ATOM 928 CB LYS A 61 -0.184 8.124 -28.842 1.00 34.53 C ATOM 929 CG LYS A 61 0.349 6.828 -29.457 1.00 44.42 C ATOM 930 CD LYS A 61 0.206 6.846 -30.980 1.00 70.44 C ATOM 931 CE LYS A 61 0.112 5.424 -31.538 1.00 53.02 C ATOM 932 NZ LYS A 61 0.229 5.437 -33.014 1.00 4.45 N ATOM 0 H LYS A 61 -1.150 6.816 -26.861 1.00 14.22 H new ATOM 0 HA LYS A 61 1.358 8.258 -27.414 1.00 51.30 H new ATOM 0 HB2 LYS A 61 -1.273 8.133 -28.891 1.00 34.53 H new ATOM 0 HB3 LYS A 61 0.168 8.978 -29.421 1.00 34.53 H new ATOM 0 HG2 LYS A 61 1.397 6.697 -29.188 1.00 44.42 H new ATOM 0 HG3 LYS A 61 -0.194 5.976 -29.047 1.00 44.42 H new ATOM 0 HD2 LYS A 61 -0.684 7.410 -31.259 1.00 70.44 H new ATOM 0 HD3 LYS A 61 1.060 7.359 -31.423 1.00 70.44 H new ATOM 0 HE2 LYS A 61 0.902 4.806 -31.110 1.00 53.02 H new ATOM 0 HE3 LYS A 61 -0.837 4.975 -31.247 1.00 53.02 H new ATOM 0 HZ1 LYS A 61 0.534 4.500 -33.346 1.00 4.45 H new ATOM 0 HZ2 LYS A 61 -0.694 5.669 -33.433 1.00 4.45 H new ATOM 0 HZ3 LYS A 61 0.929 6.151 -33.300 1.00 4.45 H new ATOM 945 N GLY A 62 0.667 10.603 -26.953 1.00 14.42 N ATOM 946 CA GLY A 62 0.391 11.917 -26.397 1.00 40.53 C ATOM 947 C GLY A 62 0.197 11.842 -24.881 1.00 45.44 C ATOM 948 O GLY A 62 -0.369 12.753 -24.278 1.00 65.15 O ATOM 0 H GLY A 62 1.523 10.544 -27.504 1.00 14.42 H new ATOM 0 HA2 GLY A 62 1.213 12.594 -26.629 1.00 40.53 H new ATOM 0 HA3 GLY A 62 -0.504 12.332 -26.862 1.00 40.53 H new ATOM 952 N TYR A 63 0.678 10.749 -24.309 1.00 65.41 N ATOM 953 CA TYR A 63 0.565 10.543 -22.875 1.00 65.21 C ATOM 954 C TYR A 63 1.704 11.242 -22.129 1.00 70.14 C ATOM 955 O TYR A 63 2.629 11.764 -22.750 1.00 31.11 O ATOM 956 CB TYR A 63 0.680 9.033 -22.656 1.00 35.14 C ATOM 957 CG TYR A 63 0.937 8.633 -21.201 1.00 44.34 C ATOM 958 CD1 TYR A 63 2.228 8.597 -20.714 1.00 61.02 C ATOM 959 CD2 TYR A 63 -0.121 8.309 -20.377 1.00 1.12 C ATOM 960 CE1 TYR A 63 2.471 8.221 -19.346 1.00 33.24 C ATOM 961 CE2 TYR A 63 0.122 7.933 -19.008 1.00 52.01 C ATOM 962 CZ TYR A 63 1.406 7.907 -18.560 1.00 54.41 C ATOM 963 OH TYR A 63 1.635 7.552 -17.267 1.00 52.15 O ATOM 0 H TYR A 63 1.147 9.996 -24.812 1.00 65.41 H new ATOM 0 HA TYR A 63 -0.375 10.950 -22.502 1.00 65.21 H new ATOM 0 HB2 TYR A 63 -0.239 8.556 -22.996 1.00 35.14 H new ATOM 0 HB3 TYR A 63 1.489 8.647 -23.277 1.00 35.14 H new ATOM 0 HD1 TYR A 63 3.056 8.851 -21.359 1.00 61.02 H new ATOM 0 HD2 TYR A 63 -1.131 8.337 -20.758 1.00 1.12 H new ATOM 0 HE1 TYR A 63 3.476 8.189 -18.952 1.00 33.24 H new ATOM 0 HE2 TYR A 63 -0.697 7.677 -18.352 1.00 52.01 H new ATOM 0 HH TYR A 63 0.782 7.356 -16.826 1.00 52.15 H new ATOM 973 N ALA A 64 1.599 11.230 -20.809 1.00 31.43 N ATOM 974 CA ALA A 64 2.608 11.856 -19.972 1.00 2.12 C ATOM 975 C ALA A 64 2.113 11.893 -18.525 1.00 1.44 C ATOM 976 O ALA A 64 0.910 11.963 -18.278 1.00 21.01 O ATOM 977 CB ALA A 64 2.928 13.250 -20.515 1.00 2.33 C ATOM 0 H ALA A 64 0.830 10.796 -20.298 1.00 31.43 H new ATOM 0 HA ALA A 64 3.533 11.279 -19.989 1.00 2.12 H new ATOM 0 HB1 ALA A 64 3.685 13.720 -19.887 1.00 2.33 H new ATOM 0 HB2 ALA A 64 3.303 13.166 -21.535 1.00 2.33 H new ATOM 0 HB3 ALA A 64 2.024 13.859 -20.510 1.00 2.33 H new ATOM 983 N PRO A 65 3.091 11.844 -17.581 1.00 43.11 N ATOM 984 CA PRO A 65 2.767 11.871 -16.165 1.00 2.50 C ATOM 985 C PRO A 65 2.363 13.279 -15.722 1.00 50.11 C ATOM 986 O PRO A 65 2.464 14.230 -16.496 1.00 0.14 O ATOM 987 CB PRO A 65 4.018 11.365 -15.465 1.00 72.23 C ATOM 988 CG PRO A 65 5.148 11.513 -16.471 1.00 55.45 C ATOM 989 CD PRO A 65 4.526 11.761 -17.836 1.00 44.24 C ATOM 0 HA PRO A 65 1.908 11.247 -15.918 1.00 2.50 H new ATOM 0 HB2 PRO A 65 4.221 11.942 -14.562 1.00 72.23 H new ATOM 0 HB3 PRO A 65 3.901 10.325 -15.159 1.00 72.23 H new ATOM 0 HG2 PRO A 65 5.801 12.340 -16.193 1.00 55.45 H new ATOM 0 HG3 PRO A 65 5.763 10.613 -16.489 1.00 55.45 H new ATOM 0 HD2 PRO A 65 4.903 12.682 -18.281 1.00 44.24 H new ATOM 0 HD3 PRO A 65 4.759 10.953 -18.530 1.00 44.24 H new ATOM 997 N ALA A 66 1.914 13.367 -14.479 1.00 12.52 N ATOM 998 CA ALA A 66 1.494 14.643 -13.924 1.00 20.04 C ATOM 999 C ALA A 66 1.920 14.721 -12.456 1.00 63.42 C ATOM 1000 O ALA A 66 1.701 13.782 -11.692 1.00 10.11 O ATOM 1001 CB ALA A 66 -0.017 14.805 -14.101 1.00 60.32 C ATOM 0 H ALA A 66 1.832 12.576 -13.840 1.00 12.52 H new ATOM 0 HA ALA A 66 1.974 15.467 -14.452 1.00 20.04 H new ATOM 0 HB1 ALA A 66 -0.332 15.762 -13.685 1.00 60.32 H new ATOM 0 HB2 ALA A 66 -0.265 14.772 -15.162 1.00 60.32 H new ATOM 0 HB3 ALA A 66 -0.533 13.997 -13.583 1.00 60.32 H new TER 1007 ALA A 66