USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 111:sc= -2.23 USER MOD Set 1.2: A 21 MET CE :methyl -165:sc= -5.38! (180deg=-7.1!) USER MOD Set 2.1: A 2 GLN : amide:sc= -5.72! C(o=-5!,f=-14!) USER MOD Set 2.2: A 4 SER OG : rot -38:sc= 0.726 USER MOD Single : A 14 ASN : amide:sc= -6.36! C(o=-6.4!,f=-4.8!) USER MOD Single : A 15 THR OG1 : rot 71:sc= -0.104 USER MOD Single : A 22 MET CE :methyl -169:sc= -4.27! (180deg=-4.73!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 22:sc= 0.189 USER MOD Single : A 28 SER OG : rot 180:sc= -0.355 USER MOD Single : A 30 THR OG1 : rot 49:sc= 0.185 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -138:sc= -9.02! (180deg=-17.7!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.52! C(o=-4.5!,f=-9.3!) USER MOD Single : A 47 GLN : amide:sc= -2.03 K(o=-2,f=-0.72) USER MOD Single : A 51 MET CE :methyl 174:sc= -3.87! (180deg=-4.32!) USER MOD Single : A 53 THR OG1 : rot -120:sc= -1.27 USER MOD Single : A 54 THR OG1 : rot 170:sc= -1.94! USER MOD Single : A 56 MET CE :methyl 170:sc= -4.82! (180deg=-5.24!) USER MOD Single : A 59 MET CE :methyl 168:sc= -6.38! (180deg=-6.56!) USER MOD Single : A 61 LYS NZ :NH3+ -133:sc= -0.0701 (180deg=-2.41!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.675 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.294 0.278 -4.761 1.00 21.54 N ATOM 33 CA GLN A 2 -1.794 1.385 -5.557 1.00 13.11 C ATOM 34 C GLN A 2 -2.519 0.861 -6.798 1.00 55.42 C ATOM 35 O GLN A 2 -2.015 -0.022 -7.490 1.00 1.22 O ATOM 36 CB GLN A 2 -0.661 2.337 -5.945 1.00 14.32 C ATOM 37 CG GLN A 2 0.071 1.839 -7.192 1.00 52.15 C ATOM 38 CD GLN A 2 -0.720 2.169 -8.460 1.00 64.03 C ATOM 39 OE1 GLN A 2 -1.019 1.313 -9.277 1.00 5.12 O ATOM 40 NE2 GLN A 2 -1.040 3.454 -8.579 1.00 14.32 N ATOM 0 HA GLN A 2 -2.507 1.948 -4.954 1.00 13.11 H new ATOM 0 HB2 GLN A 2 -1.065 3.332 -6.129 1.00 14.32 H new ATOM 0 HB3 GLN A 2 0.043 2.427 -5.117 1.00 14.32 H new ATOM 0 HG2 GLN A 2 1.059 2.297 -7.246 1.00 52.15 H new ATOM 0 HG3 GLN A 2 0.222 0.762 -7.123 1.00 52.15 H new ATOM 0 HE21 GLN A 2 -0.758 4.119 -7.858 1.00 14.32 H new ATOM 0 HE22 GLN A 2 -1.567 3.775 -9.391 1.00 14.32 H new ATOM 49 N GLU A 3 -3.692 1.428 -7.043 1.00 2.23 N ATOM 50 CA GLU A 3 -4.491 1.030 -8.189 1.00 34.55 C ATOM 51 C GLU A 3 -3.814 1.470 -9.488 1.00 0.13 C ATOM 52 O GLU A 3 -3.353 2.605 -9.598 1.00 14.33 O ATOM 53 CB GLU A 3 -5.910 1.595 -8.091 1.00 23.22 C ATOM 54 CG GLU A 3 -6.838 0.623 -7.361 1.00 34.55 C ATOM 55 CD GLU A 3 -8.260 1.183 -7.274 1.00 24.44 C ATOM 56 OE1 GLU A 3 -8.438 2.393 -7.069 1.00 63.44 O ATOM 57 OE2 GLU A 3 -9.199 0.312 -7.428 1.00 10.13 O ATOM 0 H GLU A 3 -4.108 2.160 -6.467 1.00 2.23 H new ATOM 0 HA GLU A 3 -4.568 -0.057 -8.193 1.00 34.55 H new ATOM 0 HB2 GLU A 3 -5.890 2.549 -7.564 1.00 23.22 H new ATOM 0 HB3 GLU A 3 -6.297 1.791 -9.091 1.00 23.22 H new ATOM 0 HG2 GLU A 3 -6.851 -0.334 -7.883 1.00 34.55 H new ATOM 0 HG3 GLU A 3 -6.456 0.434 -6.358 1.00 34.55 H new ATOM 65 N SER A 4 -3.775 0.549 -10.439 1.00 64.21 N ATOM 66 CA SER A 4 -3.161 0.828 -11.726 1.00 52.14 C ATOM 67 C SER A 4 -4.180 0.619 -12.848 1.00 74.11 C ATOM 68 O SER A 4 -5.006 -0.290 -12.780 1.00 61.41 O ATOM 69 CB SER A 4 -1.933 -0.055 -11.954 1.00 43.10 C ATOM 70 OG SER A 4 -1.401 -0.556 -10.730 1.00 41.44 O ATOM 0 H SER A 4 -4.159 -0.391 -10.344 1.00 64.21 H new ATOM 0 HA SER A 4 -2.833 1.868 -11.730 1.00 52.14 H new ATOM 0 HB2 SER A 4 -2.202 -0.890 -12.601 1.00 43.10 H new ATOM 0 HB3 SER A 4 -1.166 0.518 -12.475 1.00 43.10 H new ATOM 0 HG SER A 4 -1.457 0.138 -10.040 1.00 41.44 H new ATOM 76 N VAL A 5 -4.089 1.476 -13.854 1.00 53.13 N ATOM 77 CA VAL A 5 -4.993 1.397 -14.989 1.00 72.22 C ATOM 78 C VAL A 5 -4.936 -0.012 -15.584 1.00 2.31 C ATOM 79 O VAL A 5 -3.855 -0.572 -15.758 1.00 61.14 O ATOM 80 CB VAL A 5 -4.654 2.489 -16.006 1.00 13.15 C ATOM 81 CG1 VAL A 5 -5.455 2.305 -17.296 1.00 70.31 C ATOM 82 CG2 VAL A 5 -4.884 3.880 -15.412 1.00 5.52 C ATOM 0 H VAL A 5 -3.403 2.229 -13.907 1.00 53.13 H new ATOM 0 HA VAL A 5 -6.020 1.575 -14.671 1.00 72.22 H new ATOM 0 HB VAL A 5 -3.596 2.400 -16.253 1.00 13.15 H new ATOM 0 HG11 VAL A 5 -5.195 3.094 -18.001 1.00 70.31 H new ATOM 0 HG12 VAL A 5 -5.221 1.335 -17.734 1.00 70.31 H new ATOM 0 HG13 VAL A 5 -6.521 2.355 -17.073 1.00 70.31 H new ATOM 0 HG21 VAL A 5 -4.636 4.638 -16.155 1.00 5.52 H new ATOM 0 HG22 VAL A 5 -5.930 3.984 -15.123 1.00 5.52 H new ATOM 0 HG23 VAL A 5 -4.250 4.010 -14.535 1.00 5.52 H new ATOM 92 N VAL A 6 -6.113 -0.543 -15.879 1.00 20.42 N ATOM 93 CA VAL A 6 -6.210 -1.876 -16.450 1.00 54.22 C ATOM 94 C VAL A 6 -7.278 -1.879 -17.546 1.00 63.14 C ATOM 95 O VAL A 6 -8.420 -1.489 -17.307 1.00 64.41 O ATOM 96 CB VAL A 6 -6.484 -2.900 -15.347 1.00 5.13 C ATOM 97 CG1 VAL A 6 -6.833 -4.266 -15.941 1.00 1.23 C ATOM 98 CG2 VAL A 6 -5.294 -3.006 -14.390 1.00 50.43 C ATOM 0 H VAL A 6 -7.007 -0.075 -15.734 1.00 20.42 H new ATOM 0 HA VAL A 6 -5.266 -2.162 -16.913 1.00 54.22 H new ATOM 0 HB VAL A 6 -7.345 -2.554 -14.775 1.00 5.13 H new ATOM 0 HG11 VAL A 6 -7.023 -4.975 -15.135 1.00 1.23 H new ATOM 0 HG12 VAL A 6 -7.724 -4.176 -16.563 1.00 1.23 H new ATOM 0 HG13 VAL A 6 -6.001 -4.622 -16.549 1.00 1.23 H new ATOM 0 HG21 VAL A 6 -5.514 -3.740 -13.615 1.00 50.43 H new ATOM 0 HG22 VAL A 6 -4.408 -3.317 -14.944 1.00 50.43 H new ATOM 0 HG23 VAL A 6 -5.111 -2.036 -13.928 1.00 50.43 H new ATOM 108 N ALA A 7 -6.868 -2.323 -18.725 1.00 71.45 N ATOM 109 CA ALA A 7 -7.775 -2.383 -19.859 1.00 40.42 C ATOM 110 C ALA A 7 -9.052 -3.117 -19.447 1.00 72.54 C ATOM 111 O ALA A 7 -9.085 -4.347 -19.422 1.00 43.25 O ATOM 112 CB ALA A 7 -7.072 -3.053 -21.041 1.00 62.11 C ATOM 0 H ALA A 7 -5.920 -2.645 -18.920 1.00 71.45 H new ATOM 0 HA ALA A 7 -8.060 -1.380 -20.176 1.00 40.42 H new ATOM 0 HB1 ALA A 7 -7.753 -3.098 -21.891 1.00 62.11 H new ATOM 0 HB2 ALA A 7 -6.188 -2.476 -21.313 1.00 62.11 H new ATOM 0 HB3 ALA A 7 -6.773 -4.063 -20.762 1.00 62.11 H new ATOM 118 N ALA A 8 -10.073 -2.333 -19.134 1.00 72.34 N ATOM 119 CA ALA A 8 -11.350 -2.894 -18.725 1.00 25.11 C ATOM 120 C ALA A 8 -11.940 -3.704 -19.881 1.00 31.34 C ATOM 121 O ALA A 8 -12.884 -4.469 -19.689 1.00 14.23 O ATOM 122 CB ALA A 8 -12.279 -1.768 -18.267 1.00 61.15 C ATOM 0 H ALA A 8 -10.042 -1.314 -19.155 1.00 72.34 H new ATOM 0 HA ALA A 8 -11.219 -3.572 -17.881 1.00 25.11 H new ATOM 0 HB1 ALA A 8 -13.237 -2.189 -17.960 1.00 61.15 H new ATOM 0 HB2 ALA A 8 -11.827 -1.243 -17.425 1.00 61.15 H new ATOM 0 HB3 ALA A 8 -12.436 -1.069 -19.089 1.00 61.15 H new ATOM 128 N VAL A 9 -11.359 -3.509 -21.055 1.00 73.24 N ATOM 129 CA VAL A 9 -11.816 -4.212 -22.242 1.00 72.21 C ATOM 130 C VAL A 9 -10.671 -4.295 -23.253 1.00 62.31 C ATOM 131 O VAL A 9 -9.611 -3.706 -23.046 1.00 30.45 O ATOM 132 CB VAL A 9 -13.064 -3.530 -22.807 1.00 3.41 C ATOM 133 CG1 VAL A 9 -14.213 -3.565 -21.797 1.00 63.22 C ATOM 134 CG2 VAL A 9 -12.756 -2.094 -23.237 1.00 61.01 C ATOM 0 H VAL A 9 -10.576 -2.874 -21.210 1.00 73.24 H new ATOM 0 HA VAL A 9 -12.105 -5.233 -21.993 1.00 72.21 H new ATOM 0 HB VAL A 9 -13.378 -4.085 -23.691 1.00 3.41 H new ATOM 0 HG11 VAL A 9 -15.088 -3.074 -22.224 1.00 63.22 H new ATOM 0 HG12 VAL A 9 -14.458 -4.600 -21.560 1.00 63.22 H new ATOM 0 HG13 VAL A 9 -13.913 -3.046 -20.887 1.00 63.22 H new ATOM 0 HG21 VAL A 9 -13.659 -1.632 -23.635 1.00 61.01 H new ATOM 0 HG22 VAL A 9 -12.405 -1.524 -22.377 1.00 61.01 H new ATOM 0 HG23 VAL A 9 -11.984 -2.102 -24.006 1.00 61.01 H new ATOM 144 N LEU A 10 -10.923 -5.031 -24.326 1.00 21.35 N ATOM 145 CA LEU A 10 -9.926 -5.199 -25.369 1.00 61.02 C ATOM 146 C LEU A 10 -9.645 -3.844 -26.023 1.00 34.50 C ATOM 147 O LEU A 10 -10.449 -3.355 -26.815 1.00 72.21 O ATOM 148 CB LEU A 10 -10.363 -6.281 -26.359 1.00 12.21 C ATOM 149 CG LEU A 10 -9.565 -6.360 -27.662 1.00 30.01 C ATOM 150 CD1 LEU A 10 -8.363 -7.294 -27.512 1.00 61.35 C ATOM 151 CD2 LEU A 10 -10.464 -6.765 -28.832 1.00 20.22 C ATOM 0 H LEU A 10 -11.803 -5.518 -24.495 1.00 21.35 H new ATOM 0 HA LEU A 10 -8.985 -5.550 -24.944 1.00 61.02 H new ATOM 0 HB2 LEU A 10 -10.302 -7.248 -25.860 1.00 12.21 H new ATOM 0 HB3 LEU A 10 -11.411 -6.116 -26.608 1.00 12.21 H new ATOM 0 HG LEU A 10 -9.175 -5.367 -27.885 1.00 30.01 H new ATOM 0 HD11 LEU A 10 -7.813 -7.333 -28.452 1.00 61.35 H new ATOM 0 HD12 LEU A 10 -7.709 -6.922 -26.724 1.00 61.35 H new ATOM 0 HD13 LEU A 10 -8.710 -8.294 -27.253 1.00 61.35 H new ATOM 0 HD21 LEU A 10 -9.872 -6.814 -29.746 1.00 20.22 H new ATOM 0 HD22 LEU A 10 -10.904 -7.742 -28.632 1.00 20.22 H new ATOM 0 HD23 LEU A 10 -11.258 -6.028 -28.953 1.00 20.22 H new ATOM 163 N ILE A 11 -8.502 -3.277 -25.667 1.00 53.00 N ATOM 164 CA ILE A 11 -8.106 -1.989 -26.209 1.00 43.52 C ATOM 165 C ILE A 11 -7.091 -2.204 -27.334 1.00 52.11 C ATOM 166 O ILE A 11 -5.947 -2.576 -27.080 1.00 3.42 O ATOM 167 CB ILE A 11 -7.602 -1.070 -25.094 1.00 62.20 C ATOM 168 CG1 ILE A 11 -8.237 -1.438 -23.752 1.00 22.54 C ATOM 169 CG2 ILE A 11 -7.828 0.400 -25.451 1.00 2.42 C ATOM 170 CD1 ILE A 11 -8.152 -0.271 -22.766 1.00 63.12 C ATOM 0 H ILE A 11 -7.838 -3.686 -25.010 1.00 53.00 H new ATOM 0 HA ILE A 11 -8.965 -1.480 -26.646 1.00 43.52 H new ATOM 0 HB ILE A 11 -6.526 -1.215 -24.992 1.00 62.20 H new ATOM 0 HG12 ILE A 11 -9.280 -1.715 -23.903 1.00 22.54 H new ATOM 0 HG13 ILE A 11 -7.733 -2.309 -23.334 1.00 22.54 H new ATOM 0 HG21 ILE A 11 -7.461 1.031 -24.642 1.00 2.42 H new ATOM 0 HG22 ILE A 11 -7.291 0.638 -26.369 1.00 2.42 H new ATOM 0 HG23 ILE A 11 -8.893 0.579 -25.597 1.00 2.42 H new ATOM 0 HD11 ILE A 11 -8.611 -0.560 -21.820 1.00 63.12 H new ATOM 0 HD12 ILE A 11 -7.107 -0.012 -22.598 1.00 63.12 H new ATOM 0 HD13 ILE A 11 -8.678 0.591 -23.176 1.00 63.12 H new ATOM 182 N PRO A 12 -7.560 -1.955 -28.586 1.00 42.42 N ATOM 183 CA PRO A 12 -6.706 -2.117 -29.751 1.00 35.22 C ATOM 184 C PRO A 12 -5.703 -0.968 -29.860 1.00 42.41 C ATOM 185 O PRO A 12 -5.778 0.001 -29.105 1.00 71.24 O ATOM 186 CB PRO A 12 -7.661 -2.187 -30.932 1.00 12.45 C ATOM 187 CG PRO A 12 -8.974 -1.597 -30.441 1.00 43.04 C ATOM 188 CD PRO A 12 -8.909 -1.513 -28.925 1.00 55.11 C ATOM 0 HA PRO A 12 -6.091 -3.015 -29.700 1.00 35.22 H new ATOM 0 HB2 PRO A 12 -7.274 -1.625 -31.782 1.00 12.45 H new ATOM 0 HB3 PRO A 12 -7.795 -3.216 -31.265 1.00 12.45 H new ATOM 0 HG2 PRO A 12 -9.133 -0.608 -30.872 1.00 43.04 H new ATOM 0 HG3 PRO A 12 -9.813 -2.219 -30.753 1.00 43.04 H new ATOM 0 HD2 PRO A 12 -9.092 -0.496 -28.577 1.00 55.11 H new ATOM 0 HD3 PRO A 12 -9.662 -2.149 -28.461 1.00 55.11 H new ATOM 196 N ILE A 13 -4.786 -1.112 -30.806 1.00 33.42 N ATOM 197 CA ILE A 13 -3.769 -0.098 -31.024 1.00 21.12 C ATOM 198 C ILE A 13 -4.430 1.175 -31.557 1.00 21.40 C ATOM 199 O ILE A 13 -5.504 1.117 -32.153 1.00 51.43 O ATOM 200 CB ILE A 13 -2.658 -0.639 -31.926 1.00 51.33 C ATOM 201 CG1 ILE A 13 -1.558 0.406 -32.128 1.00 74.10 C ATOM 202 CG2 ILE A 13 -3.226 -1.137 -33.257 1.00 13.13 C ATOM 203 CD1 ILE A 13 -0.304 -0.228 -32.731 1.00 64.42 C ATOM 0 H ILE A 13 -4.727 -1.916 -31.430 1.00 33.42 H new ATOM 0 HA ILE A 13 -3.284 0.164 -30.084 1.00 21.12 H new ATOM 0 HB ILE A 13 -2.202 -1.495 -31.430 1.00 51.33 H new ATOM 0 HG12 ILE A 13 -1.920 1.198 -32.783 1.00 74.10 H new ATOM 0 HG13 ILE A 13 -1.312 0.870 -31.173 1.00 74.10 H new ATOM 0 HG21 ILE A 13 -2.415 -1.516 -33.879 1.00 13.13 H new ATOM 0 HG22 ILE A 13 -3.944 -1.935 -33.070 1.00 13.13 H new ATOM 0 HG23 ILE A 13 -3.724 -0.314 -33.771 1.00 13.13 H new ATOM 0 HD11 ILE A 13 0.462 0.536 -32.864 1.00 64.42 H new ATOM 0 HD12 ILE A 13 0.069 -1.003 -32.062 1.00 64.42 H new ATOM 0 HD13 ILE A 13 -0.548 -0.669 -33.697 1.00 64.42 H new ATOM 215 N ASN A 14 -3.760 2.294 -31.323 1.00 31.51 N ATOM 216 CA ASN A 14 -4.269 3.578 -31.772 1.00 50.33 C ATOM 217 C ASN A 14 -5.781 3.631 -31.545 1.00 31.23 C ATOM 218 O ASN A 14 -6.540 3.944 -32.461 1.00 2.01 O ATOM 219 CB ASN A 14 -4.008 3.782 -33.266 1.00 14.00 C ATOM 220 CG ASN A 14 -4.522 2.593 -34.080 1.00 33.55 C ATOM 221 OD1 ASN A 14 -5.714 2.363 -34.208 1.00 3.24 O ATOM 222 ND2 ASN A 14 -3.560 1.851 -34.620 1.00 61.14 N ATOM 0 H ASN A 14 -2.869 2.338 -30.828 1.00 31.51 H new ATOM 0 HA ASN A 14 -3.760 4.358 -31.207 1.00 50.33 H new ATOM 0 HB2 ASN A 14 -4.497 4.696 -33.603 1.00 14.00 H new ATOM 0 HB3 ASN A 14 -2.939 3.910 -33.438 1.00 14.00 H new ATOM 0 HD21 ASN A 14 -3.800 1.033 -35.181 1.00 61.14 H new ATOM 0 HD22 ASN A 14 -2.582 2.099 -34.474 1.00 61.14 H new ATOM 229 N THR A 15 -6.174 3.320 -30.318 1.00 61.53 N ATOM 230 CA THR A 15 -7.582 3.327 -29.959 1.00 2.33 C ATOM 231 C THR A 15 -7.843 4.347 -28.848 1.00 22.50 C ATOM 232 O THR A 15 -7.293 4.232 -27.753 1.00 74.45 O ATOM 233 CB THR A 15 -7.981 1.900 -29.580 1.00 22.24 C ATOM 234 OG1 THR A 15 -7.830 1.164 -30.790 1.00 64.15 O ATOM 235 CG2 THR A 15 -9.470 1.776 -29.252 1.00 31.43 C ATOM 0 H THR A 15 -5.542 3.062 -29.560 1.00 61.53 H new ATOM 0 HA THR A 15 -8.203 3.641 -30.798 1.00 2.33 H new ATOM 0 HB THR A 15 -7.392 1.574 -28.723 1.00 22.24 H new ATOM 0 HG1 THR A 15 -6.877 1.075 -31.002 1.00 64.15 H new ATOM 0 HG21 THR A 15 -9.700 0.743 -28.990 1.00 31.43 H new ATOM 0 HG22 THR A 15 -9.713 2.427 -28.412 1.00 31.43 H new ATOM 0 HG23 THR A 15 -10.060 2.070 -30.120 1.00 31.43 H new ATOM 243 N ALA A 16 -8.681 5.321 -29.168 1.00 75.01 N ATOM 244 CA ALA A 16 -9.022 6.360 -28.211 1.00 31.21 C ATOM 245 C ALA A 16 -9.449 5.712 -26.892 1.00 52.02 C ATOM 246 O ALA A 16 -10.343 4.867 -26.872 1.00 51.33 O ATOM 247 CB ALA A 16 -10.112 7.258 -28.799 1.00 1.51 C ATOM 0 H ALA A 16 -9.134 5.413 -30.077 1.00 75.01 H new ATOM 0 HA ALA A 16 -8.157 6.990 -28.004 1.00 31.21 H new ATOM 0 HB1 ALA A 16 -10.368 8.037 -28.081 1.00 1.51 H new ATOM 0 HB2 ALA A 16 -9.749 7.717 -29.719 1.00 1.51 H new ATOM 0 HB3 ALA A 16 -10.997 6.661 -29.017 1.00 1.51 H new ATOM 253 N LEU A 17 -8.790 6.133 -25.823 1.00 31.54 N ATOM 254 CA LEU A 17 -9.090 5.604 -24.503 1.00 33.12 C ATOM 255 C LEU A 17 -10.295 6.347 -23.923 1.00 35.24 C ATOM 256 O LEU A 17 -10.414 7.561 -24.077 1.00 41.33 O ATOM 257 CB LEU A 17 -7.849 5.655 -23.610 1.00 63.52 C ATOM 258 CG LEU A 17 -6.691 4.741 -24.019 1.00 34.45 C ATOM 259 CD1 LEU A 17 -5.410 5.111 -23.270 1.00 3.31 C ATOM 260 CD2 LEU A 17 -7.062 3.268 -23.827 1.00 44.52 C ATOM 0 H LEU A 17 -8.050 6.834 -25.844 1.00 31.54 H new ATOM 0 HA LEU A 17 -9.364 4.551 -24.568 1.00 33.12 H new ATOM 0 HB2 LEU A 17 -7.484 6.682 -23.586 1.00 63.52 H new ATOM 0 HB3 LEU A 17 -8.146 5.399 -22.593 1.00 63.52 H new ATOM 0 HG LEU A 17 -6.497 4.889 -25.081 1.00 34.45 H new ATOM 0 HD11 LEU A 17 -4.603 4.447 -23.579 1.00 3.31 H new ATOM 0 HD12 LEU A 17 -5.139 6.142 -23.499 1.00 3.31 H new ATOM 0 HD13 LEU A 17 -5.573 5.009 -22.197 1.00 3.31 H new ATOM 0 HD21 LEU A 17 -6.223 2.640 -24.125 1.00 44.52 H new ATOM 0 HD22 LEU A 17 -7.298 3.086 -22.779 1.00 44.52 H new ATOM 0 HD23 LEU A 17 -7.930 3.028 -24.441 1.00 44.52 H new ATOM 272 N THR A 18 -11.160 5.586 -23.267 1.00 5.12 N ATOM 273 CA THR A 18 -12.351 6.157 -22.663 1.00 13.13 C ATOM 274 C THR A 18 -12.452 5.748 -21.192 1.00 72.41 C ATOM 275 O THR A 18 -11.685 4.908 -20.724 1.00 1.13 O ATOM 276 CB THR A 18 -13.558 5.725 -23.498 1.00 31.00 C ATOM 277 OG1 THR A 18 -13.345 4.334 -23.722 1.00 32.11 O ATOM 278 CG2 THR A 18 -13.547 6.334 -24.901 1.00 53.25 C ATOM 0 H THR A 18 -11.059 4.579 -23.141 1.00 5.12 H new ATOM 0 HA THR A 18 -12.311 7.246 -22.663 1.00 13.13 H new ATOM 0 HB THR A 18 -14.476 6.012 -22.985 1.00 31.00 H new ATOM 0 HG1 THR A 18 -14.011 3.817 -23.223 1.00 32.11 H new ATOM 0 HG21 THR A 18 -14.425 5.995 -25.451 1.00 53.25 H new ATOM 0 HG22 THR A 18 -13.563 7.421 -24.826 1.00 53.25 H new ATOM 0 HG23 THR A 18 -12.645 6.020 -25.427 1.00 53.25 H new ATOM 286 N VAL A 19 -13.405 6.360 -20.505 1.00 31.24 N ATOM 287 CA VAL A 19 -13.616 6.069 -19.097 1.00 14.54 C ATOM 288 C VAL A 19 -14.364 4.741 -18.961 1.00 4.33 C ATOM 289 O VAL A 19 -14.442 4.178 -17.870 1.00 54.11 O ATOM 290 CB VAL A 19 -14.344 7.236 -18.425 1.00 42.12 C ATOM 291 CG1 VAL A 19 -15.861 7.063 -18.518 1.00 70.35 C ATOM 292 CG2 VAL A 19 -13.898 7.395 -16.970 1.00 54.42 C ATOM 0 H VAL A 19 -14.040 7.056 -20.897 1.00 31.24 H new ATOM 0 HA VAL A 19 -12.661 5.959 -18.583 1.00 14.54 H new ATOM 0 HB VAL A 19 -14.078 8.149 -18.959 1.00 42.12 H new ATOM 0 HG11 VAL A 19 -16.354 7.906 -18.033 1.00 70.35 H new ATOM 0 HG12 VAL A 19 -16.159 7.022 -19.566 1.00 70.35 H new ATOM 0 HG13 VAL A 19 -16.153 6.137 -18.022 1.00 70.35 H new ATOM 0 HG21 VAL A 19 -14.430 8.231 -16.516 1.00 54.42 H new ATOM 0 HG22 VAL A 19 -14.120 6.481 -16.419 1.00 54.42 H new ATOM 0 HG23 VAL A 19 -12.826 7.587 -16.937 1.00 54.42 H new ATOM 302 N GLY A 20 -14.893 4.279 -20.084 1.00 12.31 N ATOM 303 CA GLY A 20 -15.631 3.028 -20.104 1.00 33.11 C ATOM 304 C GLY A 20 -14.798 1.910 -20.734 1.00 73.11 C ATOM 305 O GLY A 20 -15.316 0.831 -21.020 1.00 5.12 O ATOM 0 H GLY A 20 -14.825 4.749 -20.987 1.00 12.31 H new ATOM 0 HA2 GLY A 20 -15.910 2.750 -19.088 1.00 33.11 H new ATOM 0 HA3 GLY A 20 -16.557 3.157 -20.665 1.00 33.11 H new ATOM 309 N MET A 21 -13.522 2.206 -20.933 1.00 13.35 N ATOM 310 CA MET A 21 -12.613 1.240 -21.524 1.00 24.33 C ATOM 311 C MET A 21 -11.521 0.835 -20.531 1.00 1.52 C ATOM 312 O MET A 21 -11.043 -0.298 -20.556 1.00 1.44 O ATOM 313 CB MET A 21 -11.968 1.843 -22.774 1.00 33.25 C ATOM 314 CG MET A 21 -12.729 1.431 -24.036 1.00 13.25 C ATOM 315 SD MET A 21 -11.581 1.121 -25.367 1.00 32.44 S ATOM 316 CE MET A 21 -10.442 2.471 -25.114 1.00 45.03 C ATOM 0 H MET A 21 -13.096 3.102 -20.695 1.00 13.35 H new ATOM 0 HA MET A 21 -13.183 0.350 -21.792 1.00 24.33 H new ATOM 0 HB2 MET A 21 -11.954 2.930 -22.692 1.00 33.25 H new ATOM 0 HB3 MET A 21 -10.931 1.515 -22.847 1.00 33.25 H new ATOM 0 HG2 MET A 21 -13.320 0.537 -23.839 1.00 13.25 H new ATOM 0 HG3 MET A 21 -13.427 2.217 -24.323 1.00 13.25 H new ATOM 0 HE1 MET A 21 -9.819 2.592 -26.000 1.00 45.03 H new ATOM 0 HE2 MET A 21 -11.001 3.390 -24.935 1.00 45.03 H new ATOM 0 HE3 MET A 21 -9.810 2.257 -24.252 1.00 45.03 H new ATOM 326 N MET A 22 -11.158 1.784 -19.680 1.00 54.53 N ATOM 327 CA MET A 22 -10.132 1.542 -18.681 1.00 30.52 C ATOM 328 C MET A 22 -10.756 1.217 -17.322 1.00 2.42 C ATOM 329 O MET A 22 -11.975 1.272 -17.165 1.00 44.52 O ATOM 330 CB MET A 22 -9.242 2.779 -18.552 1.00 3.11 C ATOM 331 CG MET A 22 -8.400 2.983 -19.813 1.00 71.24 C ATOM 332 SD MET A 22 -7.701 4.625 -19.822 1.00 52.24 S ATOM 333 CE MET A 22 -9.164 5.582 -20.184 1.00 1.41 C ATOM 0 H MET A 22 -11.557 2.723 -19.662 1.00 54.53 H new ATOM 0 HA MET A 22 -9.536 0.687 -19.000 1.00 30.52 H new ATOM 0 HB2 MET A 22 -9.860 3.659 -18.377 1.00 3.11 H new ATOM 0 HB3 MET A 22 -8.588 2.672 -17.687 1.00 3.11 H new ATOM 0 HG2 MET A 22 -7.604 2.240 -19.853 1.00 71.24 H new ATOM 0 HG3 MET A 22 -9.017 2.837 -20.700 1.00 71.24 H new ATOM 0 HE1 MET A 22 -8.879 6.608 -20.419 1.00 1.41 H new ATOM 0 HE2 MET A 22 -9.683 5.145 -21.037 1.00 1.41 H new ATOM 0 HE3 MET A 22 -9.825 5.579 -19.317 1.00 1.41 H new ATOM 343 N THR A 23 -9.892 0.886 -16.374 1.00 4.43 N ATOM 344 CA THR A 23 -10.342 0.553 -15.033 1.00 55.31 C ATOM 345 C THR A 23 -9.170 0.594 -14.051 1.00 32.51 C ATOM 346 O THR A 23 -8.016 0.705 -14.461 1.00 2.14 O ATOM 347 CB THR A 23 -11.039 -0.808 -15.093 1.00 43.30 C ATOM 348 OG1 THR A 23 -11.977 -0.765 -14.021 1.00 62.23 O ATOM 349 CG2 THR A 23 -10.103 -1.961 -14.724 1.00 12.22 C ATOM 0 H THR A 23 -8.882 0.841 -16.508 1.00 4.43 H new ATOM 0 HA THR A 23 -11.059 1.285 -14.663 1.00 55.31 H new ATOM 0 HB THR A 23 -11.436 -0.969 -16.095 1.00 43.30 H new ATOM 0 HG1 THR A 23 -12.475 -1.609 -13.988 1.00 62.23 H new ATOM 0 HG21 THR A 23 -10.647 -2.904 -14.782 1.00 12.22 H new ATOM 0 HG22 THR A 23 -9.262 -1.983 -15.417 1.00 12.22 H new ATOM 0 HG23 THR A 23 -9.732 -1.818 -13.709 1.00 12.22 H new ATOM 357 N THR A 24 -9.507 0.500 -12.773 1.00 12.41 N ATOM 358 CA THR A 24 -8.497 0.525 -11.729 1.00 21.31 C ATOM 359 C THR A 24 -8.432 -0.829 -11.018 1.00 42.33 C ATOM 360 O THR A 24 -9.453 -1.349 -10.570 1.00 44.55 O ATOM 361 CB THR A 24 -8.816 1.689 -10.790 1.00 2.55 C ATOM 362 OG1 THR A 24 -10.127 1.401 -10.312 1.00 1.23 O ATOM 363 CG2 THR A 24 -8.974 3.016 -11.535 1.00 11.32 C ATOM 0 H THR A 24 -10.466 0.406 -12.437 1.00 12.41 H new ATOM 0 HA THR A 24 -7.502 0.687 -12.145 1.00 21.31 H new ATOM 0 HB THR A 24 -8.025 1.782 -10.046 1.00 2.55 H new ATOM 0 HG1 THR A 24 -10.306 0.442 -10.406 1.00 1.23 H new ATOM 0 HG21 THR A 24 -9.200 3.809 -10.822 1.00 11.32 H new ATOM 0 HG22 THR A 24 -8.048 3.252 -12.059 1.00 11.32 H new ATOM 0 HG23 THR A 24 -9.788 2.934 -12.256 1.00 11.32 H new ATOM 371 N ARG A 25 -7.221 -1.361 -10.937 1.00 51.41 N ATOM 372 CA ARG A 25 -7.009 -2.644 -10.289 1.00 13.44 C ATOM 373 C ARG A 25 -5.566 -2.756 -9.793 1.00 60.24 C ATOM 374 O ARG A 25 -4.641 -2.282 -10.452 1.00 14.03 O ATOM 375 CB ARG A 25 -7.304 -3.800 -11.246 1.00 15.01 C ATOM 376 CG ARG A 25 -8.434 -4.682 -10.709 1.00 1.50 C ATOM 377 CD ARG A 25 -9.686 -4.560 -11.580 1.00 1.40 C ATOM 378 NE ARG A 25 -10.229 -5.904 -11.876 1.00 51.15 N ATOM 379 CZ ARG A 25 -11.523 -6.149 -12.174 1.00 1.20 C ATOM 380 NH1 ARG A 25 -12.419 -5.140 -12.217 1.00 42.21 N ATOM 381 NH2 ARG A 25 -11.899 -7.390 -12.422 1.00 1.40 N ATOM 0 H ARG A 25 -6.377 -0.927 -11.309 1.00 51.41 H new ATOM 0 HA ARG A 25 -7.693 -2.705 -9.443 1.00 13.44 H new ATOM 0 HB2 ARG A 25 -7.579 -3.406 -12.224 1.00 15.01 H new ATOM 0 HB3 ARG A 25 -6.405 -4.400 -11.386 1.00 15.01 H new ATOM 0 HG2 ARG A 25 -8.107 -5.721 -10.680 1.00 1.50 H new ATOM 0 HG3 ARG A 25 -8.670 -4.394 -9.685 1.00 1.50 H new ATOM 0 HD2 ARG A 25 -10.438 -3.959 -11.068 1.00 1.40 H new ATOM 0 HD3 ARG A 25 -9.444 -4.044 -12.509 1.00 1.40 H new ATOM 0 HE ARG A 25 -9.586 -6.695 -11.854 1.00 51.15 H new ATOM 0 HH11 ARG A 25 -12.120 -4.184 -12.024 1.00 42.21 H new ATOM 0 HH12 ARG A 25 -13.395 -5.334 -12.443 1.00 42.21 H new ATOM 0 HH21 ARG A 25 -11.216 -8.147 -12.387 1.00 1.40 H new ATOM 0 HH22 ARG A 25 -12.873 -7.592 -12.649 1.00 1.40 H new ATOM 394 N VAL A 26 -5.418 -3.387 -8.638 1.00 11.34 N ATOM 395 CA VAL A 26 -4.103 -3.568 -8.047 1.00 10.43 C ATOM 396 C VAL A 26 -3.382 -4.714 -8.759 1.00 31.15 C ATOM 397 O VAL A 26 -3.372 -5.843 -8.271 1.00 62.30 O ATOM 398 CB VAL A 26 -4.233 -3.788 -6.538 1.00 60.12 C ATOM 399 CG1 VAL A 26 -2.857 -3.830 -5.870 1.00 34.22 C ATOM 400 CG2 VAL A 26 -5.119 -2.716 -5.902 1.00 15.33 C ATOM 0 H VAL A 26 -6.187 -3.780 -8.095 1.00 11.34 H new ATOM 0 HA VAL A 26 -3.498 -2.671 -8.180 1.00 10.43 H new ATOM 0 HB VAL A 26 -4.712 -4.754 -6.380 1.00 60.12 H new ATOM 0 HG11 VAL A 26 -2.978 -3.987 -4.798 1.00 34.22 H new ATOM 0 HG12 VAL A 26 -2.272 -4.647 -6.293 1.00 34.22 H new ATOM 0 HG13 VAL A 26 -2.340 -2.886 -6.042 1.00 34.22 H new ATOM 0 HG21 VAL A 26 -5.195 -2.896 -4.830 1.00 15.33 H new ATOM 0 HG22 VAL A 26 -4.682 -1.733 -6.075 1.00 15.33 H new ATOM 0 HG23 VAL A 26 -6.113 -2.754 -6.347 1.00 15.33 H new ATOM 410 N VAL A 27 -2.797 -4.384 -9.900 1.00 62.24 N ATOM 411 CA VAL A 27 -2.075 -5.372 -10.684 1.00 72.33 C ATOM 412 C VAL A 27 -0.572 -5.116 -10.560 1.00 61.34 C ATOM 413 O VAL A 27 -0.154 -4.022 -10.186 1.00 43.20 O ATOM 414 CB VAL A 27 -2.568 -5.352 -12.133 1.00 23.42 C ATOM 415 CG1 VAL A 27 -4.096 -5.320 -12.192 1.00 12.23 C ATOM 416 CG2 VAL A 27 -1.964 -4.175 -12.901 1.00 20.00 C ATOM 0 H VAL A 27 -2.808 -3.446 -10.301 1.00 62.24 H new ATOM 0 HA VAL A 27 -2.266 -6.375 -10.304 1.00 72.33 H new ATOM 0 HB VAL A 27 -2.234 -6.272 -12.613 1.00 23.42 H new ATOM 0 HG11 VAL A 27 -4.420 -5.306 -13.233 1.00 12.23 H new ATOM 0 HG12 VAL A 27 -4.498 -6.205 -11.699 1.00 12.23 H new ATOM 0 HG13 VAL A 27 -4.461 -4.426 -11.687 1.00 12.23 H new ATOM 0 HG21 VAL A 27 -2.330 -4.184 -13.928 1.00 20.00 H new ATOM 0 HG22 VAL A 27 -2.253 -3.240 -12.421 1.00 20.00 H new ATOM 0 HG23 VAL A 27 -0.877 -4.261 -12.903 1.00 20.00 H new ATOM 426 N SER A 28 0.199 -6.144 -10.882 1.00 65.41 N ATOM 427 CA SER A 28 1.647 -6.045 -10.812 1.00 4.55 C ATOM 428 C SER A 28 2.270 -6.524 -12.125 1.00 35.05 C ATOM 429 O SER A 28 1.864 -7.549 -12.670 1.00 72.01 O ATOM 430 CB SER A 28 2.199 -6.854 -9.636 1.00 74.12 C ATOM 431 OG SER A 28 3.380 -6.271 -9.094 1.00 2.23 O ATOM 0 H SER A 28 -0.152 -7.050 -11.192 1.00 65.41 H new ATOM 0 HA SER A 28 1.910 -4.999 -10.654 1.00 4.55 H new ATOM 0 HB2 SER A 28 1.440 -6.925 -8.857 1.00 74.12 H new ATOM 0 HB3 SER A 28 2.415 -7.871 -9.965 1.00 74.12 H new ATOM 0 HG SER A 28 3.700 -6.816 -8.345 1.00 2.23 H new ATOM 437 N PRO A 29 3.271 -5.740 -12.606 1.00 55.54 N ATOM 438 CA PRO A 29 3.690 -4.542 -11.898 1.00 71.21 C ATOM 439 C PRO A 29 2.672 -3.414 -12.078 1.00 3.13 C ATOM 440 O PRO A 29 1.954 -3.374 -13.075 1.00 71.24 O ATOM 441 CB PRO A 29 5.057 -4.205 -12.470 1.00 24.51 C ATOM 442 CG PRO A 29 5.150 -4.947 -13.794 1.00 32.25 C ATOM 443 CD PRO A 29 4.027 -5.971 -13.834 1.00 13.43 C ATOM 0 HA PRO A 29 3.749 -4.690 -10.820 1.00 71.21 H new ATOM 0 HB2 PRO A 29 5.165 -3.130 -12.616 1.00 24.51 H new ATOM 0 HB3 PRO A 29 5.852 -4.516 -11.792 1.00 24.51 H new ATOM 0 HG2 PRO A 29 5.062 -4.251 -14.629 1.00 32.25 H new ATOM 0 HG3 PRO A 29 6.118 -5.438 -13.889 1.00 32.25 H new ATOM 0 HD2 PRO A 29 3.400 -5.837 -14.716 1.00 13.43 H new ATOM 0 HD3 PRO A 29 4.419 -6.987 -13.873 1.00 13.43 H new ATOM 451 N THR A 30 2.643 -2.524 -11.096 1.00 64.43 N ATOM 452 CA THR A 30 1.726 -1.398 -11.134 1.00 32.34 C ATOM 453 C THR A 30 2.101 -0.442 -12.267 1.00 71.15 C ATOM 454 O THR A 30 3.199 0.112 -12.279 1.00 70.04 O ATOM 455 CB THR A 30 1.733 -0.737 -9.754 1.00 34.11 C ATOM 456 OG1 THR A 30 3.112 -0.683 -9.401 1.00 62.25 O ATOM 457 CG2 THR A 30 1.107 -1.625 -8.676 1.00 41.10 C ATOM 0 H THR A 30 3.240 -2.560 -10.270 1.00 64.43 H new ATOM 0 HA THR A 30 0.708 -1.724 -11.350 1.00 32.34 H new ATOM 0 HB THR A 30 1.194 0.209 -9.803 1.00 34.11 H new ATOM 0 HG1 THR A 30 3.626 -0.308 -10.146 1.00 62.25 H new ATOM 0 HG21 THR A 30 1.137 -1.109 -7.716 1.00 41.10 H new ATOM 0 HG22 THR A 30 0.072 -1.841 -8.939 1.00 41.10 H new ATOM 0 HG23 THR A 30 1.666 -2.558 -8.604 1.00 41.10 H new ATOM 465 N GLY A 31 1.167 -0.278 -13.193 1.00 44.11 N ATOM 466 CA GLY A 31 1.386 0.602 -14.329 1.00 21.32 C ATOM 467 C GLY A 31 0.789 1.987 -14.073 1.00 33.24 C ATOM 468 O GLY A 31 0.734 2.442 -12.931 1.00 72.40 O ATOM 0 H GLY A 31 0.257 -0.739 -13.180 1.00 44.11 H new ATOM 0 HA2 GLY A 31 2.455 0.693 -14.522 1.00 21.32 H new ATOM 0 HA3 GLY A 31 0.936 0.168 -15.222 1.00 21.32 H new ATOM 472 N ILE A 32 0.356 2.619 -15.154 1.00 21.23 N ATOM 473 CA ILE A 32 -0.235 3.943 -15.060 1.00 72.23 C ATOM 474 C ILE A 32 -1.158 4.000 -13.842 1.00 34.54 C ATOM 475 O ILE A 32 -1.846 3.027 -13.533 1.00 43.32 O ATOM 476 CB ILE A 32 -0.927 4.315 -16.374 1.00 24.45 C ATOM 477 CG1 ILE A 32 0.081 4.386 -17.523 1.00 0.33 C ATOM 478 CG2 ILE A 32 -1.721 5.614 -16.226 1.00 73.20 C ATOM 479 CD1 ILE A 32 -0.616 4.222 -18.875 1.00 14.55 C ATOM 0 H ILE A 32 0.403 2.239 -16.099 1.00 21.23 H new ATOM 0 HA ILE A 32 0.539 4.696 -14.909 1.00 72.23 H new ATOM 0 HB ILE A 32 -1.640 3.528 -16.620 1.00 24.45 H new ATOM 0 HG12 ILE A 32 0.605 5.341 -17.493 1.00 0.33 H new ATOM 0 HG13 ILE A 32 0.833 3.606 -17.401 1.00 0.33 H new ATOM 0 HG21 ILE A 32 -2.203 5.856 -17.173 1.00 73.20 H new ATOM 0 HG22 ILE A 32 -2.480 5.490 -15.454 1.00 73.20 H new ATOM 0 HG23 ILE A 32 -1.046 6.423 -15.945 1.00 73.20 H new ATOM 0 HD11 ILE A 32 0.123 4.276 -19.674 1.00 14.55 H new ATOM 0 HD12 ILE A 32 -1.118 3.255 -18.910 1.00 14.55 H new ATOM 0 HD13 ILE A 32 -1.350 5.017 -19.005 1.00 14.55 H new ATOM 491 N PRO A 33 -1.144 5.179 -13.164 1.00 60.30 N ATOM 492 CA PRO A 33 -1.971 5.375 -11.986 1.00 34.01 C ATOM 493 C PRO A 33 -3.438 5.576 -12.373 1.00 70.41 C ATOM 494 O PRO A 33 -3.735 6.084 -13.453 1.00 63.01 O ATOM 495 CB PRO A 33 -1.373 6.581 -11.281 1.00 43.33 C ATOM 496 CG PRO A 33 -0.527 7.296 -12.323 1.00 74.43 C ATOM 497 CD PRO A 33 -0.343 6.352 -13.500 1.00 64.23 C ATOM 0 HA PRO A 33 -1.976 4.507 -11.327 1.00 34.01 H new ATOM 0 HB2 PRO A 33 -2.155 7.236 -10.896 1.00 43.33 H new ATOM 0 HB3 PRO A 33 -0.766 6.274 -10.429 1.00 43.33 H new ATOM 0 HG2 PRO A 33 -1.014 8.217 -12.644 1.00 74.43 H new ATOM 0 HG3 PRO A 33 0.439 7.576 -11.904 1.00 74.43 H new ATOM 0 HD2 PRO A 33 -0.681 6.809 -14.430 1.00 64.23 H new ATOM 0 HD3 PRO A 33 0.706 6.089 -13.636 1.00 64.23 H new ATOM 505 N ALA A 34 -4.317 5.166 -11.470 1.00 24.20 N ATOM 506 CA ALA A 34 -5.745 5.294 -11.703 1.00 40.23 C ATOM 507 C ALA A 34 -6.109 6.777 -11.807 1.00 71.40 C ATOM 508 O ALA A 34 -7.210 7.121 -12.235 1.00 20.45 O ATOM 509 CB ALA A 34 -6.511 4.582 -10.586 1.00 41.44 C ATOM 0 H ALA A 34 -4.067 4.745 -10.575 1.00 24.20 H new ATOM 0 HA ALA A 34 -6.025 4.819 -12.643 1.00 40.23 H new ATOM 0 HB1 ALA A 34 -7.583 4.678 -10.761 1.00 41.44 H new ATOM 0 HB2 ALA A 34 -6.239 3.527 -10.574 1.00 41.44 H new ATOM 0 HB3 ALA A 34 -6.258 5.033 -9.627 1.00 41.44 H new ATOM 515 N GLU A 35 -5.163 7.615 -11.409 1.00 35.35 N ATOM 516 CA GLU A 35 -5.371 9.052 -11.451 1.00 41.23 C ATOM 517 C GLU A 35 -5.139 9.580 -12.868 1.00 51.15 C ATOM 518 O GLU A 35 -5.464 10.728 -13.168 1.00 75.22 O ATOM 519 CB GLU A 35 -4.466 9.767 -10.445 1.00 75.23 C ATOM 520 CG GLU A 35 -3.026 9.837 -10.956 1.00 61.31 C ATOM 521 CD GLU A 35 -2.032 9.841 -9.793 1.00 65.03 C ATOM 522 OE1 GLU A 35 -2.267 9.176 -8.773 1.00 53.25 O ATOM 523 OE2 GLU A 35 -0.981 10.567 -9.977 1.00 12.12 O ATOM 0 H GLU A 35 -4.251 7.326 -11.056 1.00 35.35 H new ATOM 0 HA GLU A 35 -6.404 9.258 -11.171 1.00 41.23 H new ATOM 0 HB2 GLU A 35 -4.841 10.774 -10.265 1.00 75.23 H new ATOM 0 HB3 GLU A 35 -4.492 9.242 -9.490 1.00 75.23 H new ATOM 0 HG2 GLU A 35 -2.826 8.986 -11.608 1.00 61.31 H new ATOM 0 HG3 GLU A 35 -2.893 10.737 -11.556 1.00 61.31 H new ATOM 531 N ASP A 36 -4.578 8.717 -13.703 1.00 35.02 N ATOM 532 CA ASP A 36 -4.299 9.082 -15.081 1.00 73.13 C ATOM 533 C ASP A 36 -5.438 8.587 -15.976 1.00 24.01 C ATOM 534 O ASP A 36 -5.465 8.878 -17.171 1.00 5.44 O ATOM 535 CB ASP A 36 -3.000 8.438 -15.569 1.00 72.13 C ATOM 536 CG ASP A 36 -2.206 9.269 -16.579 1.00 22.03 C ATOM 537 OD1 ASP A 36 -2.470 9.226 -17.790 1.00 5.14 O ATOM 538 OD2 ASP A 36 -1.268 9.994 -16.070 1.00 22.10 O ATOM 0 H ASP A 36 -4.309 7.766 -13.451 1.00 35.02 H new ATOM 0 HA ASP A 36 -4.204 10.167 -15.130 1.00 73.13 H new ATOM 0 HB2 ASP A 36 -2.365 8.238 -14.706 1.00 72.13 H new ATOM 0 HB3 ASP A 36 -3.237 7.474 -16.020 1.00 72.13 H new ATOM 544 N ILE A 37 -6.350 7.847 -15.363 1.00 62.22 N ATOM 545 CA ILE A 37 -7.488 7.309 -16.089 1.00 64.52 C ATOM 546 C ILE A 37 -8.175 8.437 -16.861 1.00 30.15 C ATOM 547 O ILE A 37 -8.448 8.303 -18.052 1.00 63.34 O ATOM 548 CB ILE A 37 -8.421 6.555 -15.140 1.00 32.13 C ATOM 549 CG1 ILE A 37 -8.058 5.070 -15.078 1.00 21.14 C ATOM 550 CG2 ILE A 37 -9.886 6.771 -15.525 1.00 50.10 C ATOM 551 CD1 ILE A 37 -9.191 4.254 -14.451 1.00 44.13 C ATOM 0 H ILE A 37 -6.324 7.607 -14.372 1.00 62.22 H new ATOM 0 HA ILE A 37 -7.158 6.575 -16.824 1.00 64.52 H new ATOM 0 HB ILE A 37 -8.288 6.961 -14.137 1.00 32.13 H new ATOM 0 HG12 ILE A 37 -7.851 4.700 -16.082 1.00 21.14 H new ATOM 0 HG13 ILE A 37 -7.146 4.939 -14.496 1.00 21.14 H new ATOM 0 HG21 ILE A 37 -10.528 6.224 -14.835 1.00 50.10 H new ATOM 0 HG22 ILE A 37 -10.122 7.834 -15.476 1.00 50.10 H new ATOM 0 HG23 ILE A 37 -10.053 6.409 -16.540 1.00 50.10 H new ATOM 0 HD11 ILE A 37 -8.907 3.202 -14.419 1.00 44.13 H new ATOM 0 HD12 ILE A 37 -9.379 4.610 -13.438 1.00 44.13 H new ATOM 0 HD13 ILE A 37 -10.095 4.368 -15.049 1.00 44.13 H new ATOM 563 N PRO A 38 -8.442 9.553 -16.130 1.00 75.41 N ATOM 564 CA PRO A 38 -9.093 10.704 -16.733 1.00 22.42 C ATOM 565 C PRO A 38 -8.120 11.478 -17.624 1.00 54.45 C ATOM 566 O PRO A 38 -8.527 12.379 -18.357 1.00 12.12 O ATOM 567 CB PRO A 38 -9.606 11.524 -15.561 1.00 33.23 C ATOM 568 CG PRO A 38 -8.826 11.048 -14.346 1.00 12.42 C ATOM 569 CD PRO A 38 -8.134 9.747 -14.716 1.00 41.04 C ATOM 0 HA PRO A 38 -9.912 10.426 -17.396 1.00 22.42 H new ATOM 0 HB2 PRO A 38 -9.451 12.589 -15.732 1.00 33.23 H new ATOM 0 HB3 PRO A 38 -10.677 11.377 -15.420 1.00 33.23 H new ATOM 0 HG2 PRO A 38 -8.094 11.797 -14.045 1.00 12.42 H new ATOM 0 HG3 PRO A 38 -9.495 10.897 -13.498 1.00 12.42 H new ATOM 0 HD2 PRO A 38 -7.059 9.809 -14.550 1.00 41.04 H new ATOM 0 HD3 PRO A 38 -8.502 8.917 -14.113 1.00 41.04 H new ATOM 577 N ARG A 39 -6.854 11.100 -17.533 1.00 71.44 N ATOM 578 CA ARG A 39 -5.820 11.747 -18.323 1.00 14.42 C ATOM 579 C ARG A 39 -5.525 10.931 -19.582 1.00 65.15 C ATOM 580 O ARG A 39 -4.909 11.433 -20.522 1.00 11.13 O ATOM 581 CB ARG A 39 -4.532 11.911 -17.515 1.00 24.22 C ATOM 582 CG ARG A 39 -4.729 12.897 -16.362 1.00 24.13 C ATOM 583 CD ARG A 39 -3.526 12.881 -15.415 1.00 54.45 C ATOM 584 NE ARG A 39 -2.477 13.798 -15.915 1.00 53.00 N ATOM 585 CZ ARG A 39 -1.564 13.465 -16.852 1.00 34.40 C ATOM 586 NH1 ARG A 39 -1.564 12.231 -17.400 1.00 32.21 N ATOM 587 NH2 ARG A 39 -0.672 14.363 -17.224 1.00 62.02 N ATOM 0 H ARG A 39 -6.520 10.353 -16.924 1.00 71.44 H new ATOM 0 HA ARG A 39 -6.187 12.734 -18.605 1.00 14.42 H new ATOM 0 HB2 ARG A 39 -4.220 10.944 -17.121 1.00 24.22 H new ATOM 0 HB3 ARG A 39 -3.732 12.263 -18.167 1.00 24.22 H new ATOM 0 HG2 ARG A 39 -4.871 13.902 -16.759 1.00 24.13 H new ATOM 0 HG3 ARG A 39 -5.634 12.641 -15.811 1.00 24.13 H new ATOM 0 HD2 ARG A 39 -3.836 13.181 -14.414 1.00 54.45 H new ATOM 0 HD3 ARG A 39 -3.129 11.869 -15.335 1.00 54.45 H new ATOM 0 HE ARG A 39 -2.442 14.741 -15.527 1.00 53.00 H new ATOM 0 HH11 ARG A 39 -2.257 11.543 -17.107 1.00 32.21 H new ATOM 0 HH12 ARG A 39 -0.871 11.987 -18.107 1.00 32.21 H new ATOM 0 HH21 ARG A 39 -0.679 15.293 -16.805 1.00 62.02 H new ATOM 0 HH22 ARG A 39 0.025 14.127 -17.931 1.00 62.02 H new ATOM 600 N LEU A 40 -5.977 9.686 -19.562 1.00 23.33 N ATOM 601 CA LEU A 40 -5.768 8.795 -20.691 1.00 31.25 C ATOM 602 C LEU A 40 -6.922 8.956 -21.682 1.00 12.01 C ATOM 603 O LEU A 40 -6.778 8.647 -22.864 1.00 22.03 O ATOM 604 CB LEU A 40 -5.568 7.357 -20.208 1.00 60.32 C ATOM 605 CG LEU A 40 -4.323 7.102 -19.356 1.00 43.14 C ATOM 606 CD1 LEU A 40 -4.486 5.838 -18.510 1.00 15.30 C ATOM 607 CD2 LEU A 40 -3.065 7.051 -20.226 1.00 22.41 C ATOM 0 H LEU A 40 -6.487 9.273 -18.782 1.00 23.33 H new ATOM 0 HA LEU A 40 -4.853 9.059 -21.221 1.00 31.25 H new ATOM 0 HB2 LEU A 40 -6.445 7.063 -19.631 1.00 60.32 H new ATOM 0 HB3 LEU A 40 -5.527 6.704 -21.080 1.00 60.32 H new ATOM 0 HG LEU A 40 -4.205 7.937 -18.666 1.00 43.14 H new ATOM 0 HD11 LEU A 40 -3.587 5.680 -17.914 1.00 15.30 H new ATOM 0 HD12 LEU A 40 -5.345 5.951 -17.848 1.00 15.30 H new ATOM 0 HD13 LEU A 40 -4.643 4.980 -19.164 1.00 15.30 H new ATOM 0 HD21 LEU A 40 -2.194 6.869 -19.596 1.00 22.41 H new ATOM 0 HD22 LEU A 40 -3.160 6.247 -20.956 1.00 22.41 H new ATOM 0 HD23 LEU A 40 -2.944 8.001 -20.746 1.00 22.41 H new ATOM 619 N ILE A 41 -8.042 9.440 -21.164 1.00 62.41 N ATOM 620 CA ILE A 41 -9.220 9.646 -21.989 1.00 70.41 C ATOM 621 C ILE A 41 -8.867 10.575 -23.152 1.00 61.11 C ATOM 622 O ILE A 41 -8.192 11.585 -22.961 1.00 51.41 O ATOM 623 CB ILE A 41 -10.390 10.143 -21.138 1.00 1.13 C ATOM 624 CG1 ILE A 41 -10.605 9.241 -19.920 1.00 44.34 C ATOM 625 CG2 ILE A 41 -11.660 10.282 -21.979 1.00 52.22 C ATOM 626 CD1 ILE A 41 -12.045 9.338 -19.414 1.00 31.31 C ATOM 0 H ILE A 41 -8.158 9.695 -20.183 1.00 62.41 H new ATOM 0 HA ILE A 41 -9.550 8.702 -22.423 1.00 70.41 H new ATOM 0 HB ILE A 41 -10.142 11.136 -20.763 1.00 1.13 H new ATOM 0 HG12 ILE A 41 -10.377 8.208 -20.183 1.00 44.34 H new ATOM 0 HG13 ILE A 41 -9.916 9.527 -19.125 1.00 44.34 H new ATOM 0 HG21 ILE A 41 -12.476 10.637 -21.350 1.00 52.22 H new ATOM 0 HG22 ILE A 41 -11.487 10.995 -22.785 1.00 52.22 H new ATOM 0 HG23 ILE A 41 -11.924 9.313 -22.403 1.00 52.22 H new ATOM 0 HD11 ILE A 41 -12.171 8.688 -18.548 1.00 31.31 H new ATOM 0 HD12 ILE A 41 -12.262 10.367 -19.129 1.00 31.31 H new ATOM 0 HD13 ILE A 41 -12.730 9.028 -20.203 1.00 31.31 H new ATOM 638 N SER A 42 -9.339 10.200 -24.332 1.00 31.32 N ATOM 639 CA SER A 42 -9.082 10.987 -25.526 1.00 24.03 C ATOM 640 C SER A 42 -7.724 10.606 -26.121 1.00 14.52 C ATOM 641 O SER A 42 -7.400 11.002 -27.240 1.00 32.15 O ATOM 642 CB SER A 42 -9.125 12.485 -25.218 1.00 21.15 C ATOM 643 OG SER A 42 -9.530 13.251 -26.349 1.00 10.23 O ATOM 0 H SER A 42 -9.898 9.361 -24.487 1.00 31.32 H new ATOM 0 HA SER A 42 -9.864 10.771 -26.254 1.00 24.03 H new ATOM 0 HB2 SER A 42 -9.813 12.666 -24.392 1.00 21.15 H new ATOM 0 HB3 SER A 42 -8.140 12.816 -24.890 1.00 21.15 H new ATOM 0 HG SER A 42 -9.546 14.202 -26.111 1.00 10.23 H new ATOM 649 N MET A 43 -6.968 9.843 -25.346 1.00 44.31 N ATOM 650 CA MET A 43 -5.653 9.405 -25.783 1.00 23.04 C ATOM 651 C MET A 43 -5.704 7.975 -26.325 1.00 44.34 C ATOM 652 O MET A 43 -6.284 7.090 -25.699 1.00 40.00 O ATOM 653 CB MET A 43 -4.676 9.470 -24.607 1.00 13.35 C ATOM 654 CG MET A 43 -4.886 10.747 -23.790 1.00 33.02 C ATOM 655 SD MET A 43 -3.321 11.339 -23.169 1.00 31.22 S ATOM 656 CE MET A 43 -2.552 9.787 -22.737 1.00 71.10 C ATOM 0 H MET A 43 -7.240 9.517 -24.419 1.00 44.31 H new ATOM 0 HA MET A 43 -5.318 10.066 -26.583 1.00 23.04 H new ATOM 0 HB2 MET A 43 -4.813 8.598 -23.967 1.00 13.35 H new ATOM 0 HB3 MET A 43 -3.652 9.436 -24.978 1.00 13.35 H new ATOM 0 HG2 MET A 43 -5.354 11.512 -24.410 1.00 33.02 H new ATOM 0 HG3 MET A 43 -5.565 10.550 -22.960 1.00 33.02 H new ATOM 0 HE1 MET A 43 -2.041 9.888 -21.780 1.00 71.10 H new ATOM 0 HE2 MET A 43 -3.315 9.012 -22.661 1.00 71.10 H new ATOM 0 HE3 MET A 43 -1.831 9.512 -23.506 1.00 71.10 H new ATOM 666 N GLN A 44 -5.088 7.794 -27.485 1.00 11.44 N ATOM 667 CA GLN A 44 -5.056 6.487 -28.119 1.00 1.42 C ATOM 668 C GLN A 44 -3.798 5.724 -27.698 1.00 15.01 C ATOM 669 O GLN A 44 -2.745 6.323 -27.490 1.00 45.34 O ATOM 670 CB GLN A 44 -5.136 6.615 -29.641 1.00 71.33 C ATOM 671 CG GLN A 44 -6.280 7.543 -30.054 1.00 72.35 C ATOM 672 CD GLN A 44 -6.042 8.118 -31.452 1.00 72.43 C ATOM 673 OE1 GLN A 44 -5.520 9.207 -31.623 1.00 61.11 O ATOM 674 NE2 GLN A 44 -6.453 7.327 -32.440 1.00 34.04 N ATOM 0 H GLN A 44 -4.608 8.531 -28.002 1.00 11.44 H new ATOM 0 HA GLN A 44 -5.928 5.922 -27.788 1.00 1.42 H new ATOM 0 HB2 GLN A 44 -4.193 7.001 -30.027 1.00 71.33 H new ATOM 0 HB3 GLN A 44 -5.283 5.631 -30.085 1.00 71.33 H new ATOM 0 HG2 GLN A 44 -7.222 6.995 -30.038 1.00 72.35 H new ATOM 0 HG3 GLN A 44 -6.372 8.356 -29.333 1.00 72.35 H new ATOM 0 HE21 GLN A 44 -6.883 6.427 -32.227 1.00 34.04 H new ATOM 0 HE22 GLN A 44 -6.338 7.621 -33.410 1.00 34.04 H new ATOM 683 N VAL A 45 -3.951 4.413 -27.584 1.00 72.14 N ATOM 684 CA VAL A 45 -2.841 3.561 -27.192 1.00 11.31 C ATOM 685 C VAL A 45 -1.916 3.352 -28.392 1.00 62.42 C ATOM 686 O VAL A 45 -2.344 3.470 -29.539 1.00 52.41 O ATOM 687 CB VAL A 45 -3.369 2.250 -26.608 1.00 21.55 C ATOM 688 CG1 VAL A 45 -3.965 2.470 -25.216 1.00 21.12 C ATOM 689 CG2 VAL A 45 -4.390 1.603 -27.546 1.00 13.24 C ATOM 0 H VAL A 45 -4.827 3.920 -27.756 1.00 72.14 H new ATOM 0 HA VAL A 45 -2.253 4.037 -26.407 1.00 11.31 H new ATOM 0 HB VAL A 45 -2.527 1.566 -26.507 1.00 21.55 H new ATOM 0 HG11 VAL A 45 -4.333 1.522 -24.824 1.00 21.12 H new ATOM 0 HG12 VAL A 45 -3.198 2.865 -24.550 1.00 21.12 H new ATOM 0 HG13 VAL A 45 -4.789 3.180 -25.281 1.00 21.12 H new ATOM 0 HG21 VAL A 45 -4.749 0.672 -27.107 1.00 13.24 H new ATOM 0 HG22 VAL A 45 -5.230 2.282 -27.694 1.00 13.24 H new ATOM 0 HG23 VAL A 45 -3.920 1.393 -28.507 1.00 13.24 H new ATOM 699 N ASN A 46 -0.664 3.043 -28.087 1.00 41.20 N ATOM 700 CA ASN A 46 0.326 2.816 -29.127 1.00 34.25 C ATOM 701 C ASN A 46 0.623 1.318 -29.223 1.00 0.05 C ATOM 702 O ASN A 46 1.742 0.923 -29.546 1.00 2.30 O ATOM 703 CB ASN A 46 1.636 3.538 -28.807 1.00 53.43 C ATOM 704 CG ASN A 46 2.272 2.982 -27.532 1.00 65.23 C ATOM 705 OD1 ASN A 46 2.277 1.788 -27.280 1.00 15.24 O ATOM 706 ND2 ASN A 46 2.809 3.910 -26.746 1.00 13.34 N ATOM 0 H ASN A 46 -0.312 2.944 -27.135 1.00 41.20 H new ATOM 0 HA ASN A 46 -0.076 3.198 -30.065 1.00 34.25 H new ATOM 0 HB2 ASN A 46 2.329 3.428 -29.641 1.00 53.43 H new ATOM 0 HB3 ASN A 46 1.447 4.605 -28.688 1.00 53.43 H new ATOM 0 HD21 ASN A 46 3.260 3.639 -25.872 1.00 13.34 H new ATOM 0 HD22 ASN A 46 2.770 4.893 -27.017 1.00 13.34 H new ATOM 713 N GLN A 47 -0.399 0.525 -28.936 1.00 24.24 N ATOM 714 CA GLN A 47 -0.261 -0.921 -28.986 1.00 2.14 C ATOM 715 C GLN A 47 -1.593 -1.593 -28.647 1.00 61.24 C ATOM 716 O GLN A 47 -2.438 -1.002 -27.977 1.00 21.22 O ATOM 717 CB GLN A 47 0.848 -1.399 -28.046 1.00 44.44 C ATOM 718 CG GLN A 47 0.694 -2.887 -27.727 1.00 73.05 C ATOM 719 CD GLN A 47 1.887 -3.402 -26.920 1.00 12.45 C ATOM 720 OE1 GLN A 47 2.475 -4.428 -27.217 1.00 72.25 O ATOM 721 NE2 GLN A 47 2.210 -2.633 -25.883 1.00 61.22 N ATOM 0 H GLN A 47 -1.326 0.856 -28.668 1.00 24.24 H new ATOM 0 HA GLN A 47 0.020 -1.205 -30.000 1.00 2.14 H new ATOM 0 HB2 GLN A 47 1.820 -1.221 -28.505 1.00 44.44 H new ATOM 0 HB3 GLN A 47 0.821 -0.821 -27.122 1.00 44.44 H new ATOM 0 HG2 GLN A 47 -0.226 -3.049 -27.166 1.00 73.05 H new ATOM 0 HG3 GLN A 47 0.606 -3.454 -28.654 1.00 73.05 H new ATOM 0 HE21 GLN A 47 1.675 -1.786 -25.690 1.00 61.22 H new ATOM 0 HE22 GLN A 47 2.992 -2.891 -25.281 1.00 61.22 H new ATOM 730 N VAL A 48 -1.739 -2.820 -29.127 1.00 41.51 N ATOM 731 CA VAL A 48 -2.954 -3.578 -28.884 1.00 61.50 C ATOM 732 C VAL A 48 -2.951 -4.090 -27.442 1.00 64.01 C ATOM 733 O VAL A 48 -2.355 -5.126 -27.148 1.00 53.44 O ATOM 734 CB VAL A 48 -3.085 -4.700 -29.916 1.00 75.31 C ATOM 735 CG1 VAL A 48 -3.967 -5.832 -29.386 1.00 34.42 C ATOM 736 CG2 VAL A 48 -3.622 -4.163 -31.244 1.00 72.23 C ATOM 0 H VAL A 48 -1.036 -3.307 -29.683 1.00 41.51 H new ATOM 0 HA VAL A 48 -3.831 -2.942 -29.001 1.00 61.50 H new ATOM 0 HB VAL A 48 -2.090 -5.107 -30.097 1.00 75.31 H new ATOM 0 HG11 VAL A 48 -4.044 -6.616 -30.139 1.00 34.42 H new ATOM 0 HG12 VAL A 48 -3.526 -6.242 -28.478 1.00 34.42 H new ATOM 0 HG13 VAL A 48 -4.961 -5.445 -29.163 1.00 34.42 H new ATOM 0 HG21 VAL A 48 -3.706 -4.981 -31.960 1.00 72.23 H new ATOM 0 HG22 VAL A 48 -4.604 -3.717 -31.086 1.00 72.23 H new ATOM 0 HG23 VAL A 48 -2.939 -3.408 -31.634 1.00 72.23 H new ATOM 746 N VAL A 49 -3.622 -3.341 -26.581 1.00 14.55 N ATOM 747 CA VAL A 49 -3.704 -3.705 -25.176 1.00 75.24 C ATOM 748 C VAL A 49 -4.988 -4.503 -24.935 1.00 42.51 C ATOM 749 O VAL A 49 -6.088 -3.967 -25.060 1.00 72.30 O ATOM 750 CB VAL A 49 -3.606 -2.452 -24.304 1.00 32.33 C ATOM 751 CG1 VAL A 49 -3.713 -2.808 -22.820 1.00 22.14 C ATOM 752 CG2 VAL A 49 -2.315 -1.683 -24.592 1.00 32.30 C ATOM 0 H VAL A 49 -4.115 -2.483 -26.828 1.00 14.55 H new ATOM 0 HA VAL A 49 -2.866 -4.344 -24.897 1.00 75.24 H new ATOM 0 HB VAL A 49 -4.445 -1.803 -24.554 1.00 32.33 H new ATOM 0 HG11 VAL A 49 -3.640 -1.900 -22.222 1.00 22.14 H new ATOM 0 HG12 VAL A 49 -4.671 -3.292 -22.630 1.00 22.14 H new ATOM 0 HG13 VAL A 49 -2.904 -3.486 -22.549 1.00 22.14 H new ATOM 0 HG21 VAL A 49 -2.270 -0.797 -23.959 1.00 32.30 H new ATOM 0 HG22 VAL A 49 -1.457 -2.322 -24.383 1.00 32.30 H new ATOM 0 HG23 VAL A 49 -2.297 -1.382 -25.639 1.00 32.30 H new ATOM 762 N PRO A 50 -4.799 -5.803 -24.585 1.00 12.02 N ATOM 763 CA PRO A 50 -5.929 -6.679 -24.325 1.00 24.41 C ATOM 764 C PRO A 50 -6.562 -6.369 -22.967 1.00 72.52 C ATOM 765 O PRO A 50 -5.918 -5.786 -22.096 1.00 74.33 O ATOM 766 CB PRO A 50 -5.361 -8.087 -24.408 1.00 74.23 C ATOM 767 CG PRO A 50 -3.857 -7.940 -24.250 1.00 63.41 C ATOM 768 CD PRO A 50 -3.511 -6.471 -24.427 1.00 64.03 C ATOM 0 HA PRO A 50 -6.738 -6.547 -25.043 1.00 24.41 H new ATOM 0 HB2 PRO A 50 -5.776 -8.722 -23.625 1.00 74.23 H new ATOM 0 HB3 PRO A 50 -5.610 -8.553 -25.362 1.00 74.23 H new ATOM 0 HG2 PRO A 50 -3.540 -8.291 -23.268 1.00 63.41 H new ATOM 0 HG3 PRO A 50 -3.334 -8.547 -24.989 1.00 63.41 H new ATOM 0 HD2 PRO A 50 -2.968 -6.085 -23.564 1.00 64.03 H new ATOM 0 HD3 PRO A 50 -2.875 -6.316 -25.299 1.00 64.03 H new ATOM 776 N MET A 51 -7.816 -6.774 -22.829 1.00 54.33 N ATOM 777 CA MET A 51 -8.544 -6.547 -21.592 1.00 52.43 C ATOM 778 C MET A 51 -7.847 -7.227 -20.413 1.00 25.12 C ATOM 779 O MET A 51 -7.653 -8.442 -20.418 1.00 14.20 O ATOM 780 CB MET A 51 -9.967 -7.093 -21.729 1.00 25.41 C ATOM 781 CG MET A 51 -10.744 -6.932 -20.421 1.00 50.21 C ATOM 782 SD MET A 51 -12.137 -8.048 -20.397 1.00 51.51 S ATOM 783 CE MET A 51 -13.061 -7.419 -21.789 1.00 73.41 C ATOM 0 H MET A 51 -8.346 -7.258 -23.553 1.00 54.33 H new ATOM 0 HA MET A 51 -8.574 -5.474 -21.402 1.00 52.43 H new ATOM 0 HB2 MET A 51 -10.486 -6.569 -22.531 1.00 25.41 H new ATOM 0 HB3 MET A 51 -9.931 -8.146 -22.008 1.00 25.41 H new ATOM 0 HG2 MET A 51 -10.090 -7.135 -19.573 1.00 50.21 H new ATOM 0 HG3 MET A 51 -11.090 -5.903 -20.318 1.00 50.21 H new ATOM 0 HE1 MET A 51 -13.913 -8.070 -21.984 1.00 73.41 H new ATOM 0 HE2 MET A 51 -13.416 -6.413 -21.565 1.00 73.41 H new ATOM 0 HE3 MET A 51 -12.418 -7.389 -22.669 1.00 73.41 H new ATOM 793 N GLY A 52 -7.487 -6.414 -19.430 1.00 35.30 N ATOM 794 CA GLY A 52 -6.815 -6.923 -18.246 1.00 54.32 C ATOM 795 C GLY A 52 -5.326 -6.575 -18.270 1.00 25.22 C ATOM 796 O GLY A 52 -4.634 -6.722 -17.263 1.00 13.21 O ATOM 0 H GLY A 52 -7.648 -5.407 -19.429 1.00 35.30 H new ATOM 0 HA2 GLY A 52 -7.276 -6.502 -17.352 1.00 54.32 H new ATOM 0 HA3 GLY A 52 -6.939 -8.004 -18.190 1.00 54.32 H new ATOM 800 N THR A 53 -4.875 -6.121 -19.430 1.00 63.40 N ATOM 801 CA THR A 53 -3.479 -5.752 -19.598 1.00 15.10 C ATOM 802 C THR A 53 -3.217 -4.371 -18.994 1.00 52.23 C ATOM 803 O THR A 53 -3.765 -3.372 -19.459 1.00 21.23 O ATOM 804 CB THR A 53 -3.144 -5.837 -21.088 1.00 61.42 C ATOM 805 OG1 THR A 53 -3.201 -7.232 -21.378 1.00 0.55 O ATOM 806 CG2 THR A 53 -1.692 -5.455 -21.385 1.00 14.55 C ATOM 0 H THR A 53 -5.451 -6.000 -20.263 1.00 63.40 H new ATOM 0 HA THR A 53 -2.821 -6.437 -19.063 1.00 15.10 H new ATOM 0 HB THR A 53 -3.813 -5.184 -21.648 1.00 61.42 H new ATOM 0 HG1 THR A 53 -2.329 -7.533 -21.708 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.507 -5.532 -22.456 1.00 14.55 H new ATOM 0 HG22 THR A 53 -1.511 -4.431 -21.059 1.00 14.55 H new ATOM 0 HG23 THR A 53 -1.022 -6.129 -20.852 1.00 14.55 H new ATOM 814 N THR A 54 -2.379 -4.358 -17.968 1.00 74.40 N ATOM 815 CA THR A 54 -2.038 -3.116 -17.296 1.00 22.22 C ATOM 816 C THR A 54 -1.626 -2.054 -18.316 1.00 43.54 C ATOM 817 O THR A 54 -0.895 -2.346 -19.261 1.00 45.43 O ATOM 818 CB THR A 54 -0.951 -3.421 -16.263 1.00 43.13 C ATOM 819 OG1 THR A 54 -1.353 -4.663 -15.692 1.00 11.33 O ATOM 820 CG2 THR A 54 -0.972 -2.444 -15.086 1.00 25.55 C ATOM 0 H THR A 54 -1.926 -5.188 -17.586 1.00 74.40 H new ATOM 0 HA THR A 54 -2.898 -2.701 -16.771 1.00 22.22 H new ATOM 0 HB THR A 54 0.027 -3.388 -16.744 1.00 43.13 H new ATOM 0 HG1 THR A 54 -0.630 -5.015 -15.132 1.00 11.33 H new ATOM 0 HG21 THR A 54 -0.181 -2.705 -14.383 1.00 25.55 H new ATOM 0 HG22 THR A 54 -0.812 -1.430 -15.452 1.00 25.55 H new ATOM 0 HG23 THR A 54 -1.938 -2.500 -14.584 1.00 25.55 H new ATOM 828 N LEU A 55 -2.113 -0.842 -18.091 1.00 60.20 N ATOM 829 CA LEU A 55 -1.805 0.266 -18.979 1.00 64.31 C ATOM 830 C LEU A 55 -0.467 0.886 -18.569 1.00 35.24 C ATOM 831 O LEU A 55 -0.256 1.193 -17.397 1.00 3.44 O ATOM 832 CB LEU A 55 -2.962 1.265 -19.011 1.00 13.44 C ATOM 833 CG LEU A 55 -3.025 2.181 -20.235 1.00 4.22 C ATOM 834 CD1 LEU A 55 -2.669 1.416 -21.511 1.00 33.42 C ATOM 835 CD2 LEU A 55 -4.389 2.866 -20.338 1.00 61.04 C ATOM 0 H LEU A 55 -2.719 -0.603 -17.306 1.00 60.20 H new ATOM 0 HA LEU A 55 -1.692 -0.087 -20.004 1.00 64.31 H new ATOM 0 HB2 LEU A 55 -3.898 0.709 -18.950 1.00 13.44 H new ATOM 0 HB3 LEU A 55 -2.902 1.888 -18.119 1.00 13.44 H new ATOM 0 HG LEU A 55 -2.279 2.967 -20.112 1.00 4.22 H new ATOM 0 HD11 LEU A 55 -2.721 2.090 -22.366 1.00 33.42 H new ATOM 0 HD12 LEU A 55 -1.659 1.016 -21.426 1.00 33.42 H new ATOM 0 HD13 LEU A 55 -3.373 0.596 -21.652 1.00 33.42 H new ATOM 0 HD21 LEU A 55 -4.407 3.511 -21.216 1.00 61.04 H new ATOM 0 HD22 LEU A 55 -5.170 2.111 -20.427 1.00 61.04 H new ATOM 0 HD23 LEU A 55 -4.564 3.465 -19.444 1.00 61.04 H new ATOM 847 N MET A 56 0.400 1.051 -19.556 1.00 71.03 N ATOM 848 CA MET A 56 1.711 1.629 -19.313 1.00 34.15 C ATOM 849 C MET A 56 1.801 3.044 -19.887 1.00 4.00 C ATOM 850 O MET A 56 1.024 3.412 -20.766 1.00 15.23 O ATOM 851 CB MET A 56 2.785 0.748 -19.954 1.00 35.44 C ATOM 852 CG MET A 56 2.887 -0.600 -19.237 1.00 23.32 C ATOM 853 SD MET A 56 4.115 -0.512 -17.944 1.00 62.32 S ATOM 854 CE MET A 56 3.054 -0.513 -16.509 1.00 25.24 C ATOM 0 H MET A 56 0.221 0.794 -20.527 1.00 71.03 H new ATOM 0 HA MET A 56 1.869 1.683 -18.236 1.00 34.15 H new ATOM 0 HB2 MET A 56 2.549 0.588 -21.006 1.00 35.44 H new ATOM 0 HB3 MET A 56 3.748 1.257 -19.917 1.00 35.44 H new ATOM 0 HG2 MET A 56 1.920 -0.870 -18.813 1.00 23.32 H new ATOM 0 HG3 MET A 56 3.152 -1.381 -19.949 1.00 23.32 H new ATOM 0 HE1 MET A 56 3.658 -0.641 -15.610 1.00 25.24 H new ATOM 0 HE2 MET A 56 2.516 0.433 -16.454 1.00 25.24 H new ATOM 0 HE3 MET A 56 2.339 -1.332 -16.585 1.00 25.24 H new ATOM 864 N PRO A 57 2.783 3.819 -19.353 1.00 44.14 N ATOM 865 CA PRO A 57 2.986 5.186 -19.804 1.00 30.44 C ATOM 866 C PRO A 57 3.660 5.216 -21.177 1.00 1.43 C ATOM 867 O PRO A 57 3.568 6.210 -21.895 1.00 41.53 O ATOM 868 CB PRO A 57 3.824 5.838 -18.716 1.00 15.01 C ATOM 869 CG PRO A 57 4.448 4.697 -17.930 1.00 23.30 C ATOM 870 CD PRO A 57 3.723 3.416 -18.311 1.00 43.53 C ATOM 0 HA PRO A 57 2.050 5.726 -19.945 1.00 30.44 H new ATOM 0 HB2 PRO A 57 4.592 6.481 -19.147 1.00 15.01 H new ATOM 0 HB3 PRO A 57 3.208 6.465 -18.072 1.00 15.01 H new ATOM 0 HG2 PRO A 57 5.511 4.615 -18.155 1.00 23.30 H new ATOM 0 HG3 PRO A 57 4.362 4.880 -16.859 1.00 23.30 H new ATOM 0 HD2 PRO A 57 4.419 2.661 -18.676 1.00 43.53 H new ATOM 0 HD3 PRO A 57 3.204 2.985 -17.455 1.00 43.53 H new ATOM 878 N ASP A 58 4.323 4.115 -21.500 1.00 55.41 N ATOM 879 CA ASP A 58 5.012 4.004 -22.774 1.00 73.34 C ATOM 880 C ASP A 58 4.134 3.226 -23.757 1.00 63.22 C ATOM 881 O ASP A 58 4.584 2.863 -24.843 1.00 72.02 O ATOM 882 CB ASP A 58 6.334 3.249 -22.621 1.00 53.02 C ATOM 883 CG ASP A 58 6.474 2.446 -21.327 1.00 34.15 C ATOM 884 OD1 ASP A 58 6.289 2.978 -20.222 1.00 5.12 O ATOM 885 OD2 ASP A 58 6.790 1.206 -21.486 1.00 23.50 O ATOM 0 H ASP A 58 4.397 3.292 -20.901 1.00 55.41 H new ATOM 0 HA ASP A 58 5.212 5.012 -23.138 1.00 73.34 H new ATOM 0 HB2 ASP A 58 6.447 2.570 -23.466 1.00 53.02 H new ATOM 0 HB3 ASP A 58 7.153 3.966 -22.676 1.00 53.02 H new ATOM 891 N MET A 59 2.898 2.992 -23.341 1.00 4.51 N ATOM 892 CA MET A 59 1.954 2.264 -24.171 1.00 50.20 C ATOM 893 C MET A 59 0.769 3.151 -24.561 1.00 23.43 C ATOM 894 O MET A 59 -0.259 2.653 -25.016 1.00 15.21 O ATOM 895 CB MET A 59 1.446 1.038 -23.411 1.00 33.34 C ATOM 896 CG MET A 59 2.447 -0.116 -23.498 1.00 44.50 C ATOM 897 SD MET A 59 1.627 -1.664 -23.158 1.00 1.23 S ATOM 898 CE MET A 59 0.553 -1.159 -21.824 1.00 51.04 C ATOM 0 H MET A 59 2.529 3.294 -22.439 1.00 4.51 H new ATOM 0 HA MET A 59 2.465 1.952 -25.082 1.00 50.20 H new ATOM 0 HB2 MET A 59 1.276 1.298 -22.366 1.00 33.34 H new ATOM 0 HB3 MET A 59 0.487 0.723 -23.821 1.00 33.34 H new ATOM 0 HG2 MET A 59 2.897 -0.144 -24.491 1.00 44.50 H new ATOM 0 HG3 MET A 59 3.257 0.040 -22.785 1.00 44.50 H new ATOM 0 HE1 MET A 59 -0.181 -1.942 -21.631 1.00 51.04 H new ATOM 0 HE2 MET A 59 1.145 -0.987 -20.925 1.00 51.04 H new ATOM 0 HE3 MET A 59 0.038 -0.239 -22.100 1.00 51.04 H new ATOM 908 N VAL A 60 0.954 4.448 -24.368 1.00 13.43 N ATOM 909 CA VAL A 60 -0.087 5.409 -24.693 1.00 70.33 C ATOM 910 C VAL A 60 0.516 6.549 -25.516 1.00 64.21 C ATOM 911 O VAL A 60 1.622 7.007 -25.231 1.00 51.04 O ATOM 912 CB VAL A 60 -0.772 5.893 -23.413 1.00 63.54 C ATOM 913 CG1 VAL A 60 -1.897 6.878 -23.733 1.00 12.42 C ATOM 914 CG2 VAL A 60 -1.293 4.712 -22.591 1.00 12.50 C ATOM 0 H VAL A 60 1.809 4.857 -23.991 1.00 13.43 H new ATOM 0 HA VAL A 60 -0.861 4.942 -25.302 1.00 70.33 H new ATOM 0 HB VAL A 60 -0.029 6.418 -22.812 1.00 63.54 H new ATOM 0 HG11 VAL A 60 -2.367 7.207 -22.806 1.00 12.42 H new ATOM 0 HG12 VAL A 60 -1.487 7.741 -24.258 1.00 12.42 H new ATOM 0 HG13 VAL A 60 -2.640 6.390 -24.364 1.00 12.42 H new ATOM 0 HG21 VAL A 60 -1.775 5.083 -21.687 1.00 12.50 H new ATOM 0 HG22 VAL A 60 -2.014 4.148 -23.182 1.00 12.50 H new ATOM 0 HG23 VAL A 60 -0.461 4.063 -22.318 1.00 12.50 H new ATOM 924 N LYS A 61 -0.236 6.974 -26.520 1.00 72.02 N ATOM 925 CA LYS A 61 0.211 8.052 -27.386 1.00 74.22 C ATOM 926 C LYS A 61 -0.192 9.394 -26.772 1.00 74.02 C ATOM 927 O LYS A 61 -1.197 9.482 -26.067 1.00 65.33 O ATOM 928 CB LYS A 61 -0.310 7.846 -28.810 1.00 71.21 C ATOM 929 CG LYS A 61 0.300 6.593 -29.441 1.00 64.13 C ATOM 930 CD LYS A 61 0.133 6.608 -30.962 1.00 44.11 C ATOM 931 CE LYS A 61 -0.948 5.620 -31.405 1.00 1.32 C ATOM 932 NZ LYS A 61 -1.442 5.965 -32.757 1.00 34.24 N ATOM 0 H LYS A 61 -1.152 6.591 -26.753 1.00 72.02 H new ATOM 0 HA LYS A 61 1.298 8.051 -27.466 1.00 74.22 H new ATOM 0 HB2 LYS A 61 -1.396 7.758 -28.794 1.00 71.21 H new ATOM 0 HB3 LYS A 61 -0.070 8.718 -29.419 1.00 71.21 H new ATOM 0 HG2 LYS A 61 1.359 6.533 -29.188 1.00 64.13 H new ATOM 0 HG3 LYS A 61 -0.177 5.704 -29.028 1.00 64.13 H new ATOM 0 HD2 LYS A 61 -0.130 7.613 -31.293 1.00 44.11 H new ATOM 0 HD3 LYS A 61 1.080 6.354 -31.438 1.00 44.11 H new ATOM 0 HE2 LYS A 61 -0.545 4.607 -31.406 1.00 1.32 H new ATOM 0 HE3 LYS A 61 -1.775 5.634 -30.695 1.00 1.32 H new ATOM 0 HZ1 LYS A 61 -2.482 5.947 -32.762 1.00 34.24 H new ATOM 0 HZ2 LYS A 61 -1.111 6.917 -33.015 1.00 34.24 H new ATOM 0 HZ3 LYS A 61 -1.081 5.274 -33.445 1.00 34.24 H new ATOM 945 N GLY A 62 0.612 10.406 -27.062 1.00 54.33 N ATOM 946 CA GLY A 62 0.351 11.740 -26.547 1.00 64.04 C ATOM 947 C GLY A 62 0.161 11.714 -25.030 1.00 13.25 C ATOM 948 O GLY A 62 -0.410 12.641 -24.456 1.00 63.02 O ATOM 0 H GLY A 62 1.444 10.330 -27.647 1.00 54.33 H new ATOM 0 HA2 GLY A 62 1.180 12.401 -26.802 1.00 64.04 H new ATOM 0 HA3 GLY A 62 -0.541 12.149 -27.022 1.00 64.04 H new ATOM 952 N TYR A 63 0.649 10.643 -24.422 1.00 21.11 N ATOM 953 CA TYR A 63 0.540 10.484 -22.982 1.00 14.23 C ATOM 954 C TYR A 63 1.672 11.219 -22.261 1.00 51.15 C ATOM 955 O TYR A 63 2.591 11.730 -22.900 1.00 75.25 O ATOM 956 CB TYR A 63 0.669 8.984 -22.712 1.00 34.22 C ATOM 957 CG TYR A 63 0.913 8.635 -21.242 1.00 62.35 C ATOM 958 CD1 TYR A 63 2.201 8.593 -20.748 1.00 50.31 C ATOM 959 CD2 TYR A 63 -0.154 8.361 -20.411 1.00 52.12 C ATOM 960 CE1 TYR A 63 2.431 8.265 -19.365 1.00 62.32 C ATOM 961 CE2 TYR A 63 0.076 8.033 -19.028 1.00 60.52 C ATOM 962 CZ TYR A 63 1.357 8.000 -18.573 1.00 44.55 C ATOM 963 OH TYR A 63 1.575 7.690 -17.267 1.00 52.23 O ATOM 0 H TYR A 63 1.121 9.876 -24.901 1.00 21.11 H new ATOM 0 HA TYR A 63 -0.403 10.894 -22.622 1.00 14.23 H new ATOM 0 HB2 TYR A 63 -0.241 8.485 -23.047 1.00 34.22 H new ATOM 0 HB3 TYR A 63 1.489 8.587 -23.310 1.00 34.22 H new ATOM 0 HD1 TYR A 63 3.036 8.806 -21.399 1.00 50.31 H new ATOM 0 HD2 TYR A 63 -1.162 8.393 -20.798 1.00 52.12 H new ATOM 0 HE1 TYR A 63 3.434 8.230 -18.965 1.00 62.32 H new ATOM 0 HE2 TYR A 63 -0.750 7.818 -18.367 1.00 60.52 H new ATOM 0 HH TYR A 63 0.717 7.526 -16.822 1.00 52.23 H new ATOM 973 N ALA A 64 1.569 11.249 -20.941 1.00 0.11 N ATOM 974 CA ALA A 64 2.573 11.913 -20.127 1.00 20.01 C ATOM 975 C ALA A 64 2.081 11.990 -18.680 1.00 51.33 C ATOM 976 O ALA A 64 0.879 12.082 -18.434 1.00 4.14 O ATOM 977 CB ALA A 64 2.876 13.293 -20.714 1.00 70.23 C ATOM 0 H ALA A 64 0.806 10.824 -20.414 1.00 0.11 H new ATOM 0 HA ALA A 64 3.504 11.347 -20.129 1.00 20.01 H new ATOM 0 HB1 ALA A 64 3.629 13.791 -20.103 1.00 70.23 H new ATOM 0 HB2 ALA A 64 3.250 13.181 -21.732 1.00 70.23 H new ATOM 0 HB3 ALA A 64 1.965 13.891 -20.726 1.00 70.23 H new ATOM 983 N PRO A 65 3.060 11.949 -17.737 1.00 51.42 N ATOM 984 CA PRO A 65 2.739 12.014 -16.322 1.00 35.14 C ATOM 985 C PRO A 65 2.354 13.437 -15.911 1.00 23.22 C ATOM 986 O PRO A 65 2.410 14.358 -16.724 1.00 71.10 O ATOM 987 CB PRO A 65 3.983 11.506 -15.612 1.00 43.41 C ATOM 988 CG PRO A 65 5.113 11.616 -16.623 1.00 2.30 C ATOM 989 CD PRO A 65 4.493 11.841 -17.992 1.00 43.14 C ATOM 0 HA PRO A 65 1.872 11.408 -16.060 1.00 35.14 H new ATOM 0 HB2 PRO A 65 4.195 12.100 -14.723 1.00 43.41 H new ATOM 0 HB3 PRO A 65 3.852 10.475 -15.283 1.00 43.41 H new ATOM 0 HG2 PRO A 65 5.777 12.441 -16.365 1.00 2.30 H new ATOM 0 HG3 PRO A 65 5.716 10.708 -16.622 1.00 2.30 H new ATOM 0 HD2 PRO A 65 4.881 12.746 -18.459 1.00 43.14 H new ATOM 0 HD3 PRO A 65 4.714 11.014 -18.667 1.00 43.14 H new