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 -140:sc= -1.61 USER MOD Set 1.2: A 21 MET CE :methyl -168:sc= -5.08! (180deg=-6.36!) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.232 K(o=0.44,f=-15!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 163:sc= 0.672 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.03 K(o=-1,f=-0.12) USER MOD Single : A 4 SER OG : rot 110:sc= -0.0375 USER MOD Single : A 15 THR OG1 : rot 67:sc= -0.0477 USER MOD Single : A 22 MET CE :methyl -175:sc= -2.58 (180deg=-2.71) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 24 THR OG1 : rot 29:sc= 0.285 USER MOD Single : A 28 SER OG : rot 180:sc= -0.352 USER MOD Single : A 30 THR OG1 : rot 40:sc= 0.329 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -147:sc= -9.39! (180deg=-18.1!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -3.8! C(o=-3.8!,f=-5.4!) USER MOD Single : A 47 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.56) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.228 (180deg=-1.03) USER MOD Single : A 53 THR OG1 : rot -126:sc= -1.19 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.53! USER MOD Single : A 56 MET CE :methyl 168:sc= -4.07! (180deg=-4.2!) USER MOD Single : A 59 MET CE :methyl 173:sc= -5.4! (180deg=-5.8!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.924 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.130 0.440 -4.971 1.00 2.14 N ATOM 33 CA GLN A 2 -1.661 1.526 -5.777 1.00 1.23 C ATOM 34 C GLN A 2 -2.381 0.971 -7.007 1.00 63.14 C ATOM 35 O GLN A 2 -1.829 0.145 -7.734 1.00 12.54 O ATOM 36 CB GLN A 2 -0.553 2.500 -6.183 1.00 11.35 C ATOM 37 CG GLN A 2 0.503 1.802 -7.041 1.00 43.33 C ATOM 38 CD GLN A 2 0.675 2.513 -8.385 1.00 54.23 C ATOM 39 OE1 GLN A 2 1.775 2.761 -8.850 1.00 1.53 O ATOM 40 NE2 GLN A 2 -0.472 2.826 -8.982 1.00 73.30 N ATOM 0 HA GLN A 2 -2.383 2.079 -5.176 1.00 1.23 H new ATOM 0 HB2 GLN A 2 -0.983 3.335 -6.737 1.00 11.35 H new ATOM 0 HB3 GLN A 2 -0.085 2.916 -5.291 1.00 11.35 H new ATOM 0 HG2 GLN A 2 1.455 1.785 -6.510 1.00 43.33 H new ATOM 0 HG3 GLN A 2 0.213 0.765 -7.209 1.00 43.33 H new ATOM 0 HE21 GLN A 2 -1.359 2.589 -8.538 1.00 73.30 H new ATOM 0 HE22 GLN A 2 -0.464 3.302 -9.884 1.00 73.30 H new ATOM 49 N GLU A 3 -3.602 1.446 -7.204 1.00 3.21 N ATOM 50 CA GLU A 3 -4.403 1.008 -8.334 1.00 64.41 C ATOM 51 C GLU A 3 -3.763 1.464 -9.647 1.00 11.31 C ATOM 52 O GLU A 3 -3.369 2.622 -9.780 1.00 33.11 O ATOM 53 CB GLU A 3 -5.840 1.518 -8.218 1.00 74.31 C ATOM 54 CG GLU A 3 -6.744 0.468 -7.567 1.00 4.41 C ATOM 55 CD GLU A 3 -8.175 0.989 -7.425 1.00 11.53 C ATOM 56 OE1 GLU A 3 -8.400 2.207 -7.483 1.00 11.51 O ATOM 57 OE2 GLU A 3 -9.072 0.079 -7.249 1.00 21.11 O ATOM 0 H GLU A 3 -4.056 2.130 -6.599 1.00 3.21 H new ATOM 0 HA GLU A 3 -4.438 -0.081 -8.329 1.00 64.41 H new ATOM 0 HB2 GLU A 3 -5.858 2.434 -7.628 1.00 74.31 H new ATOM 0 HB3 GLU A 3 -6.222 1.768 -9.208 1.00 74.31 H new ATOM 0 HG2 GLU A 3 -6.742 -0.441 -8.168 1.00 4.41 H new ATOM 0 HG3 GLU A 3 -6.351 0.202 -6.586 1.00 4.41 H new ATOM 65 N SER A 4 -3.680 0.531 -10.584 1.00 23.15 N ATOM 66 CA SER A 4 -3.095 0.823 -11.881 1.00 43.12 C ATOM 67 C SER A 4 -4.134 0.610 -12.984 1.00 11.34 C ATOM 68 O SER A 4 -4.966 -0.291 -12.892 1.00 14.35 O ATOM 69 CB SER A 4 -1.863 -0.047 -12.138 1.00 43.23 C ATOM 70 OG SER A 4 -1.187 -0.386 -10.930 1.00 73.42 O ATOM 0 H SER A 4 -4.008 -0.428 -10.470 1.00 23.15 H new ATOM 0 HA SER A 4 -2.778 1.866 -11.886 1.00 43.12 H new ATOM 0 HB2 SER A 4 -2.164 -0.959 -12.653 1.00 43.23 H new ATOM 0 HB3 SER A 4 -1.178 0.482 -12.801 1.00 43.23 H new ATOM 0 HG SER A 4 -1.308 -1.341 -10.744 1.00 73.42 H new ATOM 76 N VAL A 5 -4.052 1.455 -14.001 1.00 10.00 N ATOM 77 CA VAL A 5 -4.975 1.371 -15.120 1.00 32.11 C ATOM 78 C VAL A 5 -4.941 -0.045 -15.698 1.00 71.23 C ATOM 79 O VAL A 5 -3.869 -0.621 -15.876 1.00 61.22 O ATOM 80 CB VAL A 5 -4.643 2.448 -16.155 1.00 24.41 C ATOM 81 CG1 VAL A 5 -5.463 2.253 -17.431 1.00 51.14 C ATOM 82 CG2 VAL A 5 -4.853 3.848 -15.576 1.00 3.11 C ATOM 0 H VAL A 5 -3.361 2.201 -14.074 1.00 10.00 H new ATOM 0 HA VAL A 5 -5.996 1.562 -14.788 1.00 32.11 H new ATOM 0 HB VAL A 5 -3.589 2.349 -16.416 1.00 24.41 H new ATOM 0 HG11 VAL A 5 -5.208 3.032 -18.150 1.00 51.14 H new ATOM 0 HG12 VAL A 5 -5.241 1.276 -17.860 1.00 51.14 H new ATOM 0 HG13 VAL A 5 -6.525 2.312 -17.194 1.00 51.14 H new ATOM 0 HG21 VAL A 5 -4.610 4.595 -16.332 1.00 3.11 H new ATOM 0 HG22 VAL A 5 -5.894 3.964 -15.273 1.00 3.11 H new ATOM 0 HG23 VAL A 5 -4.205 3.984 -14.710 1.00 3.11 H new ATOM 92 N VAL A 6 -6.128 -0.565 -15.976 1.00 24.43 N ATOM 93 CA VAL A 6 -6.247 -1.903 -16.530 1.00 71.13 C ATOM 94 C VAL A 6 -7.339 -1.911 -17.602 1.00 50.40 C ATOM 95 O VAL A 6 -8.500 -1.627 -17.312 1.00 52.11 O ATOM 96 CB VAL A 6 -6.502 -2.913 -15.410 1.00 32.32 C ATOM 97 CG1 VAL A 6 -6.899 -4.276 -15.980 1.00 73.24 C ATOM 98 CG2 VAL A 6 -5.282 -3.036 -14.494 1.00 75.24 C ATOM 0 H VAL A 6 -7.015 -0.084 -15.828 1.00 24.43 H new ATOM 0 HA VAL A 6 -5.316 -2.201 -17.012 1.00 71.13 H new ATOM 0 HB VAL A 6 -7.335 -2.545 -14.811 1.00 32.32 H new ATOM 0 HG11 VAL A 6 -7.074 -4.975 -15.162 1.00 73.24 H new ATOM 0 HG12 VAL A 6 -7.809 -4.172 -16.570 1.00 73.24 H new ATOM 0 HG13 VAL A 6 -6.096 -4.653 -16.614 1.00 73.24 H new ATOM 0 HG21 VAL A 6 -5.490 -3.760 -13.706 1.00 75.24 H new ATOM 0 HG22 VAL A 6 -4.422 -3.369 -15.076 1.00 75.24 H new ATOM 0 HG23 VAL A 6 -5.064 -2.066 -14.047 1.00 75.24 H new ATOM 108 N ALA A 7 -6.928 -2.238 -18.818 1.00 62.11 N ATOM 109 CA ALA A 7 -7.857 -2.286 -19.935 1.00 25.34 C ATOM 110 C ALA A 7 -9.117 -3.043 -19.511 1.00 52.23 C ATOM 111 O ALA A 7 -9.135 -4.273 -19.507 1.00 13.34 O ATOM 112 CB ALA A 7 -7.170 -2.927 -21.143 1.00 11.24 C ATOM 0 H ALA A 7 -5.964 -2.472 -19.055 1.00 62.11 H new ATOM 0 HA ALA A 7 -8.159 -1.280 -20.228 1.00 25.34 H new ATOM 0 HB1 ALA A 7 -7.866 -2.963 -21.981 1.00 11.24 H new ATOM 0 HB2 ALA A 7 -6.298 -2.336 -21.422 1.00 11.24 H new ATOM 0 HB3 ALA A 7 -6.856 -3.939 -20.888 1.00 11.24 H new ATOM 118 N ALA A 8 -10.141 -2.276 -19.166 1.00 70.01 N ATOM 119 CA ALA A 8 -11.403 -2.859 -18.742 1.00 41.52 C ATOM 120 C ALA A 8 -12.004 -3.659 -19.899 1.00 53.12 C ATOM 121 O ALA A 8 -12.937 -4.436 -19.702 1.00 53.13 O ATOM 122 CB ALA A 8 -12.337 -1.751 -18.252 1.00 15.14 C ATOM 0 H ALA A 8 -10.123 -1.256 -19.171 1.00 70.01 H new ATOM 0 HA ALA A 8 -11.249 -3.547 -17.911 1.00 41.52 H new ATOM 0 HB1 ALA A 8 -13.284 -2.187 -17.934 1.00 15.14 H new ATOM 0 HB2 ALA A 8 -11.876 -1.232 -17.412 1.00 15.14 H new ATOM 0 HB3 ALA A 8 -12.518 -1.043 -19.061 1.00 15.14 H new ATOM 128 N VAL A 9 -11.445 -3.441 -21.081 1.00 34.54 N ATOM 129 CA VAL A 9 -11.915 -4.133 -22.269 1.00 41.12 C ATOM 130 C VAL A 9 -10.776 -4.217 -23.288 1.00 75.10 C ATOM 131 O VAL A 9 -9.725 -3.607 -23.101 1.00 22.32 O ATOM 132 CB VAL A 9 -13.161 -3.438 -22.821 1.00 40.53 C ATOM 133 CG1 VAL A 9 -14.338 -3.571 -21.852 1.00 44.45 C ATOM 134 CG2 VAL A 9 -12.874 -1.968 -23.137 1.00 72.23 C ATOM 0 H VAL A 9 -10.672 -2.795 -21.241 1.00 34.54 H new ATOM 0 HA VAL A 9 -12.210 -5.154 -22.025 1.00 41.12 H new ATOM 0 HB VAL A 9 -13.436 -3.933 -23.752 1.00 40.53 H new ATOM 0 HG11 VAL A 9 -15.211 -3.068 -22.269 1.00 44.45 H new ATOM 0 HG12 VAL A 9 -14.566 -4.626 -21.699 1.00 44.45 H new ATOM 0 HG13 VAL A 9 -14.077 -3.114 -20.898 1.00 44.45 H new ATOM 0 HG21 VAL A 9 -13.776 -1.497 -23.528 1.00 72.23 H new ATOM 0 HG22 VAL A 9 -12.562 -1.455 -22.228 1.00 72.23 H new ATOM 0 HG23 VAL A 9 -12.080 -1.904 -23.881 1.00 72.23 H new ATOM 144 N LEU A 10 -11.025 -4.978 -24.344 1.00 12.21 N ATOM 145 CA LEU A 10 -10.034 -5.150 -25.393 1.00 11.35 C ATOM 146 C LEU A 10 -9.755 -3.797 -26.051 1.00 21.20 C ATOM 147 O LEU A 10 -10.569 -3.301 -26.829 1.00 21.45 O ATOM 148 CB LEU A 10 -10.479 -6.233 -26.377 1.00 65.03 C ATOM 149 CG LEU A 10 -9.719 -6.285 -27.705 1.00 14.02 C ATOM 150 CD1 LEU A 10 -8.506 -7.212 -27.607 1.00 11.35 C ATOM 151 CD2 LEU A 10 -10.650 -6.679 -28.853 1.00 71.05 C ATOM 0 H LEU A 10 -11.899 -5.482 -24.496 1.00 12.21 H new ATOM 0 HA LEU A 10 -9.091 -5.501 -24.974 1.00 11.35 H new ATOM 0 HB2 LEU A 10 -10.383 -7.202 -25.888 1.00 65.03 H new ATOM 0 HB3 LEU A 10 -11.538 -6.088 -26.592 1.00 65.03 H new ATOM 0 HG LEU A 10 -9.343 -5.285 -27.923 1.00 14.02 H new ATOM 0 HD11 LEU A 10 -7.984 -7.231 -28.564 1.00 11.35 H new ATOM 0 HD12 LEU A 10 -7.831 -6.847 -26.833 1.00 11.35 H new ATOM 0 HD13 LEU A 10 -8.837 -8.219 -27.355 1.00 11.35 H new ATOM 0 HD21 LEU A 10 -10.086 -6.709 -29.785 1.00 71.05 H new ATOM 0 HD22 LEU A 10 -11.076 -7.663 -28.655 1.00 71.05 H new ATOM 0 HD23 LEU A 10 -11.453 -5.947 -28.938 1.00 71.05 H new ATOM 163 N ILE A 11 -8.601 -3.239 -25.715 1.00 53.44 N ATOM 164 CA ILE A 11 -8.204 -1.953 -26.264 1.00 74.14 C ATOM 165 C ILE A 11 -7.212 -2.176 -27.407 1.00 4.11 C ATOM 166 O ILE A 11 -6.066 -2.557 -27.173 1.00 22.31 O ATOM 167 CB ILE A 11 -7.674 -1.039 -25.158 1.00 50.22 C ATOM 168 CG1 ILE A 11 -8.318 -1.376 -23.812 1.00 75.10 C ATOM 169 CG2 ILE A 11 -7.858 0.434 -25.529 1.00 13.11 C ATOM 170 CD1 ILE A 11 -8.196 -0.204 -22.837 1.00 14.33 C ATOM 0 H ILE A 11 -7.928 -3.654 -25.070 1.00 53.44 H new ATOM 0 HA ILE A 11 -9.066 -1.436 -26.686 1.00 74.14 H new ATOM 0 HB ILE A 11 -6.603 -1.214 -25.055 1.00 50.22 H new ATOM 0 HG12 ILE A 11 -9.369 -1.623 -23.960 1.00 75.10 H new ATOM 0 HG13 ILE A 11 -7.840 -2.259 -23.387 1.00 75.10 H new ATOM 0 HG21 ILE A 11 -7.473 1.062 -24.726 1.00 13.11 H new ATOM 0 HG22 ILE A 11 -7.315 0.648 -26.449 1.00 13.11 H new ATOM 0 HG23 ILE A 11 -8.918 0.642 -25.676 1.00 13.11 H new ATOM 0 HD11 ILE A 11 -8.662 -0.470 -21.888 1.00 14.33 H new ATOM 0 HD12 ILE A 11 -7.143 0.025 -22.673 1.00 14.33 H new ATOM 0 HD13 ILE A 11 -8.696 0.670 -23.254 1.00 14.33 H new ATOM 182 N PRO A 12 -7.700 -1.922 -28.650 1.00 41.25 N ATOM 183 CA PRO A 12 -6.868 -2.091 -29.830 1.00 14.40 C ATOM 184 C PRO A 12 -5.857 -0.949 -29.956 1.00 73.10 C ATOM 185 O PRO A 12 -5.907 0.016 -29.195 1.00 23.44 O ATOM 186 CB PRO A 12 -7.844 -2.151 -30.994 1.00 31.12 C ATOM 187 CG PRO A 12 -9.143 -1.551 -30.480 1.00 60.15 C ATOM 188 CD PRO A 12 -9.052 -1.469 -28.966 1.00 4.35 C ATOM 0 HA PRO A 12 -6.260 -2.995 -29.790 1.00 14.40 H new ATOM 0 HB2 PRO A 12 -7.467 -1.591 -31.849 1.00 31.12 H new ATOM 0 HB3 PRO A 12 -7.993 -3.178 -31.326 1.00 31.12 H new ATOM 0 HG2 PRO A 12 -9.301 -0.561 -30.907 1.00 60.15 H new ATOM 0 HG3 PRO A 12 -9.992 -2.166 -30.779 1.00 60.15 H new ATOM 0 HD2 PRO A 12 -9.221 -0.451 -28.614 1.00 4.35 H new ATOM 0 HD3 PRO A 12 -9.802 -2.100 -28.490 1.00 4.35 H new ATOM 196 N ILE A 13 -4.964 -1.097 -30.923 1.00 50.33 N ATOM 197 CA ILE A 13 -3.943 -0.090 -31.159 1.00 61.10 C ATOM 198 C ILE A 13 -4.603 1.187 -31.682 1.00 13.23 C ATOM 199 O ILE A 13 -5.686 1.137 -32.263 1.00 13.42 O ATOM 200 CB ILE A 13 -2.852 -0.639 -32.080 1.00 24.40 C ATOM 201 CG1 ILE A 13 -1.760 0.406 -32.321 1.00 74.31 C ATOM 202 CG2 ILE A 13 -3.449 -1.157 -33.390 1.00 20.10 C ATOM 203 CD1 ILE A 13 -0.467 -0.253 -32.806 1.00 34.43 C ATOM 0 H ILE A 13 -4.926 -1.899 -31.552 1.00 50.33 H new ATOM 0 HA ILE A 13 -3.441 0.169 -30.227 1.00 61.10 H new ATOM 0 HB ILE A 13 -2.381 -1.487 -31.583 1.00 24.40 H new ATOM 0 HG12 ILE A 13 -2.102 1.131 -33.060 1.00 74.31 H new ATOM 0 HG13 ILE A 13 -1.569 0.956 -31.400 1.00 74.31 H new ATOM 0 HG21 ILE A 13 -2.652 -1.542 -34.026 1.00 20.10 H new ATOM 0 HG22 ILE A 13 -4.159 -1.956 -33.176 1.00 20.10 H new ATOM 0 HG23 ILE A 13 -3.962 -0.343 -33.903 1.00 20.10 H new ATOM 0 HD11 ILE A 13 0.292 0.512 -32.970 1.00 34.43 H new ATOM 0 HD12 ILE A 13 -0.114 -0.959 -32.054 1.00 34.43 H new ATOM 0 HD13 ILE A 13 -0.656 -0.782 -33.740 1.00 34.43 H new ATOM 215 N ASN A 14 -3.923 2.302 -31.456 1.00 72.33 N ATOM 216 CA ASN A 14 -4.430 3.590 -31.897 1.00 53.02 C ATOM 217 C ASN A 14 -5.936 3.657 -31.635 1.00 11.51 C ATOM 218 O ASN A 14 -6.712 3.982 -32.532 1.00 72.24 O ATOM 219 CB ASN A 14 -4.202 3.788 -33.397 1.00 73.41 C ATOM 220 CG ASN A 14 -2.814 4.369 -33.669 1.00 3.52 C ATOM 221 OD1 ASN A 14 -2.380 5.326 -33.047 1.00 75.13 O ATOM 222 ND2 ASN A 14 -2.142 3.741 -34.629 1.00 53.05 N ATOM 0 H ASN A 14 -3.025 2.340 -30.973 1.00 72.33 H new ATOM 0 HA ASN A 14 -3.900 4.367 -31.346 1.00 53.02 H new ATOM 0 HB2 ASN A 14 -4.308 2.834 -33.914 1.00 73.41 H new ATOM 0 HB3 ASN A 14 -4.964 4.455 -33.799 1.00 73.41 H new ATOM 0 HD21 ASN A 14 -1.205 4.054 -34.884 1.00 53.05 H new ATOM 0 HD22 ASN A 14 -2.563 2.946 -35.110 1.00 53.05 H new ATOM 229 N THR A 15 -6.304 3.346 -30.401 1.00 20.11 N ATOM 230 CA THR A 15 -7.703 3.367 -30.009 1.00 51.01 C ATOM 231 C THR A 15 -7.925 4.373 -28.878 1.00 21.11 C ATOM 232 O THR A 15 -7.360 4.229 -27.795 1.00 1.12 O ATOM 233 CB THR A 15 -8.113 1.939 -29.642 1.00 2.41 C ATOM 234 OG1 THR A 15 -7.980 1.215 -30.862 1.00 2.40 O ATOM 235 CG2 THR A 15 -9.600 1.826 -29.302 1.00 13.32 C ATOM 0 H THR A 15 -5.657 3.078 -29.659 1.00 20.11 H new ATOM 0 HA THR A 15 -8.338 3.702 -30.829 1.00 51.01 H new ATOM 0 HB THR A 15 -7.520 1.598 -28.794 1.00 2.41 H new ATOM 0 HG1 THR A 15 -7.034 1.172 -31.116 1.00 2.40 H new ATOM 0 HG21 THR A 15 -9.838 0.793 -29.049 1.00 13.32 H new ATOM 0 HG22 THR A 15 -9.829 2.470 -28.453 1.00 13.32 H new ATOM 0 HG23 THR A 15 -10.194 2.135 -30.162 1.00 13.32 H new ATOM 243 N ALA A 16 -8.749 5.369 -29.168 1.00 60.01 N ATOM 244 CA ALA A 16 -9.053 6.399 -28.189 1.00 24.43 C ATOM 245 C ALA A 16 -9.476 5.738 -26.875 1.00 73.03 C ATOM 246 O ALA A 16 -10.367 4.890 -26.862 1.00 73.01 O ATOM 247 CB ALA A 16 -10.129 7.332 -28.746 1.00 33.20 C ATOM 0 H ALA A 16 -9.216 5.485 -30.067 1.00 60.01 H new ATOM 0 HA ALA A 16 -8.171 7.006 -27.984 1.00 24.43 H new ATOM 0 HB1 ALA A 16 -10.357 8.104 -28.011 1.00 33.20 H new ATOM 0 HB2 ALA A 16 -9.767 7.798 -29.662 1.00 33.20 H new ATOM 0 HB3 ALA A 16 -11.031 6.759 -28.962 1.00 33.20 H new ATOM 253 N LEU A 17 -8.818 6.152 -25.803 1.00 20.44 N ATOM 254 CA LEU A 17 -9.115 5.611 -24.487 1.00 73.42 C ATOM 255 C LEU A 17 -10.327 6.340 -23.903 1.00 22.44 C ATOM 256 O LEU A 17 -10.443 7.558 -24.028 1.00 61.34 O ATOM 257 CB LEU A 17 -7.875 5.664 -23.593 1.00 0.00 C ATOM 258 CG LEU A 17 -6.713 4.758 -24.004 1.00 25.24 C ATOM 259 CD1 LEU A 17 -5.444 5.105 -23.222 1.00 32.13 C ATOM 260 CD2 LEU A 17 -7.090 3.282 -23.858 1.00 42.22 C ATOM 0 H LEU A 17 -8.080 6.856 -25.818 1.00 20.44 H new ATOM 0 HA LEU A 17 -9.381 4.556 -24.560 1.00 73.42 H new ATOM 0 HB2 LEU A 17 -7.515 6.693 -23.565 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.172 5.402 -22.577 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.500 4.933 -25.058 1.00 25.24 H new ATOM 0 HD11 LEU A 17 -4.633 4.446 -23.533 1.00 32.13 H new ATOM 0 HD12 LEU A 17 -5.166 6.140 -23.420 1.00 32.13 H new ATOM 0 HD13 LEU A 17 -5.627 4.976 -22.155 1.00 32.13 H new ATOM 0 HD21 LEU A 17 -6.246 2.660 -24.157 1.00 42.22 H new ATOM 0 HD22 LEU A 17 -7.345 3.073 -22.819 1.00 42.22 H new ATOM 0 HD23 LEU A 17 -7.947 3.061 -24.494 1.00 42.22 H new ATOM 272 N THR A 18 -11.199 5.563 -23.276 1.00 4.42 N ATOM 273 CA THR A 18 -12.397 6.120 -22.671 1.00 50.05 C ATOM 274 C THR A 18 -12.510 5.682 -21.210 1.00 2.21 C ATOM 275 O THR A 18 -11.781 4.797 -20.765 1.00 63.12 O ATOM 276 CB THR A 18 -13.595 5.701 -23.525 1.00 54.24 C ATOM 277 OG1 THR A 18 -13.295 4.363 -23.912 1.00 53.13 O ATOM 278 CG2 THR A 18 -13.666 6.465 -24.849 1.00 74.14 C ATOM 0 H THR A 18 -11.100 4.553 -23.174 1.00 4.42 H new ATOM 0 HA THR A 18 -12.359 7.209 -22.649 1.00 50.05 H new ATOM 0 HB THR A 18 -14.515 5.862 -22.963 1.00 54.24 H new ATOM 0 HG1 THR A 18 -13.561 4.225 -24.845 1.00 53.13 H new ATOM 0 HG21 THR A 18 -14.534 6.130 -25.417 1.00 74.14 H new ATOM 0 HG22 THR A 18 -13.754 7.533 -24.649 1.00 74.14 H new ATOM 0 HG23 THR A 18 -12.761 6.278 -25.426 1.00 74.14 H new ATOM 286 N VAL A 19 -13.429 6.323 -20.503 1.00 33.40 N ATOM 287 CA VAL A 19 -13.647 6.010 -19.101 1.00 10.44 C ATOM 288 C VAL A 19 -14.401 4.684 -18.989 1.00 73.11 C ATOM 289 O VAL A 19 -14.477 4.098 -17.910 1.00 71.34 O ATOM 290 CB VAL A 19 -14.371 7.170 -18.413 1.00 31.42 C ATOM 291 CG1 VAL A 19 -15.883 7.077 -18.629 1.00 42.43 C ATOM 292 CG2 VAL A 19 -14.033 7.220 -16.921 1.00 63.45 C ATOM 0 H VAL A 19 -14.031 7.058 -20.875 1.00 33.40 H new ATOM 0 HA VAL A 19 -12.695 5.886 -18.585 1.00 10.44 H new ATOM 0 HB VAL A 19 -14.023 8.098 -18.867 1.00 31.42 H new ATOM 0 HG11 VAL A 19 -16.374 7.913 -18.130 1.00 42.43 H new ATOM 0 HG12 VAL A 19 -16.101 7.113 -19.696 1.00 42.43 H new ATOM 0 HG13 VAL A 19 -16.253 6.139 -18.214 1.00 42.43 H new ATOM 0 HG21 VAL A 19 -14.560 8.053 -16.456 1.00 63.45 H new ATOM 0 HG22 VAL A 19 -14.339 6.287 -16.447 1.00 63.45 H new ATOM 0 HG23 VAL A 19 -12.959 7.355 -16.796 1.00 63.45 H new ATOM 302 N GLY A 20 -14.940 4.249 -20.119 1.00 11.52 N ATOM 303 CA GLY A 20 -15.686 3.003 -20.162 1.00 3.15 C ATOM 304 C GLY A 20 -14.851 1.886 -20.793 1.00 15.44 C ATOM 305 O GLY A 20 -15.372 0.814 -21.098 1.00 0.55 O ATOM 0 H GLY A 20 -14.875 4.738 -21.012 1.00 11.52 H new ATOM 0 HA2 GLY A 20 -15.980 2.716 -19.152 1.00 3.15 H new ATOM 0 HA3 GLY A 20 -16.603 3.144 -20.734 1.00 3.15 H new ATOM 309 N MET A 21 -13.571 2.176 -20.970 1.00 2.04 N ATOM 310 CA MET A 21 -12.659 1.210 -21.559 1.00 35.32 C ATOM 311 C MET A 21 -11.564 0.813 -20.567 1.00 11.42 C ATOM 312 O MET A 21 -11.102 -0.327 -20.570 1.00 0.44 O ATOM 313 CB MET A 21 -12.020 1.809 -22.813 1.00 11.42 C ATOM 314 CG MET A 21 -12.783 1.390 -24.071 1.00 62.11 C ATOM 315 SD MET A 21 -11.644 1.157 -25.426 1.00 12.11 S ATOM 316 CE MET A 21 -10.526 2.516 -25.128 1.00 40.10 C ATOM 0 H MET A 21 -13.143 3.066 -20.716 1.00 2.04 H new ATOM 0 HA MET A 21 -13.226 0.317 -21.821 1.00 35.32 H new ATOM 0 HB2 MET A 21 -12.008 2.896 -22.736 1.00 11.42 H new ATOM 0 HB3 MET A 21 -10.982 1.484 -22.888 1.00 11.42 H new ATOM 0 HG2 MET A 21 -13.331 0.467 -23.883 1.00 62.11 H new ATOM 0 HG3 MET A 21 -13.519 2.151 -24.330 1.00 62.11 H new ATOM 0 HE1 MET A 21 -9.879 2.651 -25.994 1.00 40.10 H new ATOM 0 HE2 MET A 21 -11.099 3.428 -24.957 1.00 40.10 H new ATOM 0 HE3 MET A 21 -9.917 2.300 -24.250 1.00 40.10 H new ATOM 326 N MET A 22 -11.181 1.777 -19.742 1.00 25.41 N ATOM 327 CA MET A 22 -10.148 1.542 -18.747 1.00 11.45 C ATOM 328 C MET A 22 -10.764 1.233 -17.380 1.00 62.34 C ATOM 329 O MET A 22 -11.982 1.287 -17.218 1.00 22.22 O ATOM 330 CB MET A 22 -9.256 2.780 -18.636 1.00 4.13 C ATOM 331 CG MET A 22 -8.431 2.977 -19.909 1.00 42.13 C ATOM 332 SD MET A 22 -7.652 4.583 -19.890 1.00 54.22 S ATOM 333 CE MET A 22 -9.088 5.626 -20.088 1.00 63.33 C ATOM 0 H MET A 22 -11.567 2.721 -19.742 1.00 25.41 H new ATOM 0 HA MET A 22 -9.556 0.683 -19.061 1.00 11.45 H new ATOM 0 HB2 MET A 22 -9.872 3.661 -18.457 1.00 4.13 H new ATOM 0 HB3 MET A 22 -8.590 2.677 -17.779 1.00 4.13 H new ATOM 0 HG2 MET A 22 -7.673 2.197 -19.985 1.00 42.13 H new ATOM 0 HG3 MET A 22 -9.072 2.885 -20.786 1.00 42.13 H new ATOM 0 HE1 MET A 22 -8.772 6.665 -20.186 1.00 63.33 H new ATOM 0 HE2 MET A 22 -9.635 5.327 -20.982 1.00 63.33 H new ATOM 0 HE3 MET A 22 -9.735 5.524 -19.216 1.00 63.33 H new ATOM 343 N THR A 23 -9.894 0.915 -16.433 1.00 64.12 N ATOM 344 CA THR A 23 -10.336 0.597 -15.086 1.00 74.54 C ATOM 345 C THR A 23 -9.156 0.635 -14.114 1.00 10.11 C ATOM 346 O THR A 23 -8.005 0.749 -14.533 1.00 13.51 O ATOM 347 CB THR A 23 -11.044 -0.759 -15.130 1.00 31.24 C ATOM 348 OG1 THR A 23 -11.726 -0.835 -13.881 1.00 2.15 O ATOM 349 CG2 THR A 23 -10.064 -1.933 -15.091 1.00 24.14 C ATOM 0 H THR A 23 -8.884 0.871 -16.572 1.00 64.12 H new ATOM 0 HA THR A 23 -11.044 1.339 -14.716 1.00 74.54 H new ATOM 0 HB THR A 23 -11.650 -0.822 -16.033 1.00 31.24 H new ATOM 0 HG1 THR A 23 -12.214 -1.683 -13.826 1.00 2.15 H new ATOM 0 HG21 THR A 23 -10.618 -2.871 -15.125 1.00 24.14 H new ATOM 0 HG22 THR A 23 -9.394 -1.876 -15.949 1.00 24.14 H new ATOM 0 HG23 THR A 23 -9.480 -1.889 -14.172 1.00 24.14 H new ATOM 357 N THR A 24 -9.482 0.538 -12.833 1.00 72.45 N ATOM 358 CA THR A 24 -8.463 0.560 -11.798 1.00 32.12 C ATOM 359 C THR A 24 -8.383 -0.799 -11.099 1.00 52.21 C ATOM 360 O THR A 24 -9.396 -1.326 -10.642 1.00 20.32 O ATOM 361 CB THR A 24 -8.782 1.715 -10.846 1.00 64.22 C ATOM 362 OG1 THR A 24 -10.083 1.410 -10.353 1.00 31.51 O ATOM 363 CG2 THR A 24 -8.964 3.045 -11.580 1.00 42.00 C ATOM 0 H THR A 24 -10.438 0.444 -12.489 1.00 72.45 H new ATOM 0 HA THR A 24 -7.473 0.731 -12.221 1.00 32.12 H new ATOM 0 HB THR A 24 -7.982 1.812 -10.112 1.00 64.22 H new ATOM 0 HG1 THR A 24 -10.212 0.439 -10.350 1.00 31.51 H new ATOM 0 HG21 THR A 24 -9.189 3.831 -10.859 1.00 42.00 H new ATOM 0 HG22 THR A 24 -8.047 3.294 -12.114 1.00 42.00 H new ATOM 0 HG23 THR A 24 -9.786 2.959 -12.290 1.00 42.00 H new ATOM 371 N ARG A 25 -7.169 -1.326 -11.038 1.00 75.54 N ATOM 372 CA ARG A 25 -6.944 -2.614 -10.403 1.00 40.31 C ATOM 373 C ARG A 25 -5.487 -2.735 -9.951 1.00 52.25 C ATOM 374 O ARG A 25 -4.577 -2.307 -10.659 1.00 44.21 O ATOM 375 CB ARG A 25 -7.272 -3.764 -11.357 1.00 52.22 C ATOM 376 CG ARG A 25 -8.412 -4.624 -10.807 1.00 65.31 C ATOM 377 CD ARG A 25 -9.708 -4.377 -11.581 1.00 12.24 C ATOM 378 NE ARG A 25 -10.395 -5.662 -11.842 1.00 3.41 N ATOM 379 CZ ARG A 25 -11.726 -5.784 -12.031 1.00 42.21 C ATOM 380 NH1 ARG A 25 -12.526 -4.698 -11.989 1.00 53.53 N ATOM 381 NH2 ARG A 25 -12.233 -6.981 -12.257 1.00 61.33 N ATOM 0 H ARG A 25 -6.331 -0.885 -11.418 1.00 75.54 H new ATOM 0 HA ARG A 25 -7.603 -2.677 -9.537 1.00 40.31 H new ATOM 0 HB2 ARG A 25 -7.551 -3.364 -12.332 1.00 52.22 H new ATOM 0 HB3 ARG A 25 -6.386 -4.381 -11.507 1.00 52.22 H new ATOM 0 HG2 ARG A 25 -8.141 -5.678 -10.872 1.00 65.31 H new ATOM 0 HG3 ARG A 25 -8.566 -4.398 -9.752 1.00 65.31 H new ATOM 0 HD2 ARG A 25 -10.361 -3.715 -11.012 1.00 12.24 H new ATOM 0 HD3 ARG A 25 -9.488 -3.875 -12.523 1.00 12.24 H new ATOM 0 HE ARG A 25 -9.827 -6.508 -11.882 1.00 3.41 H new ATOM 0 HH11 ARG A 25 -12.126 -3.776 -11.813 1.00 53.53 H new ATOM 0 HH12 ARG A 25 -13.531 -4.799 -12.133 1.00 53.53 H new ATOM 0 HH21 ARG A 25 -11.621 -7.797 -12.287 1.00 61.33 H new ATOM 0 HH22 ARG A 25 -13.237 -7.091 -12.402 1.00 61.33 H new ATOM 394 N VAL A 26 -5.312 -3.320 -8.776 1.00 12.03 N ATOM 395 CA VAL A 26 -3.982 -3.503 -8.221 1.00 45.24 C ATOM 396 C VAL A 26 -3.300 -4.681 -8.921 1.00 2.44 C ATOM 397 O VAL A 26 -3.304 -5.798 -8.407 1.00 62.55 O ATOM 398 CB VAL A 26 -4.066 -3.676 -6.704 1.00 32.24 C ATOM 399 CG1 VAL A 26 -2.672 -3.681 -6.074 1.00 1.23 C ATOM 400 CG2 VAL A 26 -4.948 -2.594 -6.076 1.00 62.35 C ATOM 0 H VAL A 26 -6.070 -3.674 -8.192 1.00 12.03 H new ATOM 0 HA VAL A 26 -3.369 -2.619 -8.399 1.00 45.24 H new ATOM 0 HB VAL A 26 -4.528 -4.643 -6.503 1.00 32.24 H new ATOM 0 HG11 VAL A 26 -2.761 -3.805 -4.995 1.00 1.23 H new ATOM 0 HG12 VAL A 26 -2.089 -4.504 -6.487 1.00 1.23 H new ATOM 0 HG13 VAL A 26 -2.172 -2.737 -6.290 1.00 1.23 H new ATOM 0 HG21 VAL A 26 -4.991 -2.740 -4.997 1.00 62.35 H new ATOM 0 HG22 VAL A 26 -4.528 -1.612 -6.293 1.00 62.35 H new ATOM 0 HG23 VAL A 26 -5.954 -2.658 -6.491 1.00 62.35 H new ATOM 410 N VAL A 27 -2.731 -4.390 -10.081 1.00 42.42 N ATOM 411 CA VAL A 27 -2.046 -5.411 -10.856 1.00 55.30 C ATOM 412 C VAL A 27 -0.535 -5.191 -10.760 1.00 14.41 C ATOM 413 O VAL A 27 -0.084 -4.105 -10.398 1.00 54.01 O ATOM 414 CB VAL A 27 -2.561 -5.407 -12.297 1.00 42.50 C ATOM 415 CG1 VAL A 27 -4.089 -5.348 -12.333 1.00 51.35 C ATOM 416 CG2 VAL A 27 -1.948 -4.253 -13.094 1.00 73.23 C ATOM 0 H VAL A 27 -2.730 -3.462 -10.503 1.00 42.42 H new ATOM 0 HA VAL A 27 -2.256 -6.402 -10.453 1.00 55.30 H new ATOM 0 HB VAL A 27 -2.251 -6.341 -12.767 1.00 42.50 H new ATOM 0 HG11 VAL A 27 -4.429 -5.346 -13.369 1.00 51.35 H new ATOM 0 HG12 VAL A 27 -4.499 -6.217 -11.818 1.00 51.35 H new ATOM 0 HG13 VAL A 27 -4.430 -4.439 -11.838 1.00 51.35 H new ATOM 0 HG21 VAL A 27 -2.330 -4.272 -14.115 1.00 73.23 H new ATOM 0 HG22 VAL A 27 -2.214 -3.306 -12.625 1.00 73.23 H new ATOM 0 HG23 VAL A 27 -0.863 -4.358 -13.111 1.00 73.23 H new ATOM 426 N SER A 28 0.205 -6.238 -11.090 1.00 61.43 N ATOM 427 CA SER A 28 1.656 -6.173 -11.046 1.00 20.32 C ATOM 428 C SER A 28 2.242 -6.649 -12.377 1.00 23.05 C ATOM 429 O SER A 28 1.808 -7.661 -12.924 1.00 20.42 O ATOM 430 CB SER A 28 2.210 -7.012 -9.892 1.00 12.51 C ATOM 431 OG SER A 28 3.576 -6.709 -9.620 1.00 35.03 O ATOM 0 H SER A 28 -0.173 -7.137 -11.389 1.00 61.43 H new ATOM 0 HA SER A 28 1.947 -5.136 -10.878 1.00 20.32 H new ATOM 0 HB2 SER A 28 1.614 -6.835 -8.997 1.00 12.51 H new ATOM 0 HB3 SER A 28 2.115 -8.070 -10.135 1.00 12.51 H new ATOM 0 HG SER A 28 3.892 -7.264 -8.876 1.00 35.03 H new ATOM 437 N PRO A 29 3.246 -5.876 -12.872 1.00 32.15 N ATOM 438 CA PRO A 29 3.700 -4.693 -12.160 1.00 60.41 C ATOM 439 C PRO A 29 2.698 -3.547 -12.307 1.00 12.35 C ATOM 440 O PRO A 29 1.962 -3.483 -13.290 1.00 52.50 O ATOM 441 CB PRO A 29 5.061 -4.373 -12.757 1.00 75.24 C ATOM 442 CG PRO A 29 5.113 -5.102 -14.090 1.00 74.42 C ATOM 443 CD PRO A 29 3.972 -6.107 -14.117 1.00 0.41 C ATOM 0 HA PRO A 29 3.779 -4.853 -11.085 1.00 60.41 H new ATOM 0 HB2 PRO A 29 5.185 -3.299 -12.894 1.00 75.24 H new ATOM 0 HB3 PRO A 29 5.864 -4.705 -12.099 1.00 75.24 H new ATOM 0 HG2 PRO A 29 5.019 -4.396 -14.915 1.00 74.42 H new ATOM 0 HG3 PRO A 29 6.071 -5.608 -14.211 1.00 74.42 H new ATOM 0 HD2 PRO A 29 3.330 -5.954 -14.984 1.00 0.41 H new ATOM 0 HD3 PRO A 29 4.346 -7.129 -14.174 1.00 0.41 H new ATOM 451 N THR A 30 2.702 -2.669 -11.314 1.00 34.54 N ATOM 452 CA THR A 30 1.802 -1.528 -11.320 1.00 20.44 C ATOM 453 C THR A 30 2.179 -0.558 -12.440 1.00 44.33 C ATOM 454 O THR A 30 3.286 -0.022 -12.456 1.00 4.44 O ATOM 455 CB THR A 30 1.835 -0.893 -9.928 1.00 44.23 C ATOM 456 OG1 THR A 30 3.224 -0.743 -9.648 1.00 45.44 O ATOM 457 CG2 THR A 30 1.336 -1.843 -8.838 1.00 63.31 C ATOM 0 H THR A 30 3.314 -2.725 -10.500 1.00 34.54 H new ATOM 0 HA THR A 30 0.777 -1.833 -11.529 1.00 20.44 H new ATOM 0 HB THR A 30 1.226 0.011 -9.928 1.00 44.23 H new ATOM 0 HG1 THR A 30 3.691 -0.449 -10.458 1.00 45.44 H new ATOM 0 HG21 THR A 30 1.380 -1.342 -7.871 1.00 63.31 H new ATOM 0 HG22 THR A 30 0.307 -2.132 -9.050 1.00 63.31 H new ATOM 0 HG23 THR A 30 1.965 -2.733 -8.815 1.00 63.31 H new ATOM 465 N GLY A 31 1.238 -0.361 -13.351 1.00 73.13 N ATOM 466 CA GLY A 31 1.458 0.536 -14.473 1.00 75.33 C ATOM 467 C GLY A 31 0.867 1.919 -14.194 1.00 14.05 C ATOM 468 O GLY A 31 0.817 2.356 -13.045 1.00 4.22 O ATOM 0 H GLY A 31 0.321 -0.807 -13.335 1.00 73.13 H new ATOM 0 HA2 GLY A 31 2.527 0.626 -14.667 1.00 75.33 H new ATOM 0 HA3 GLY A 31 1.005 0.118 -15.372 1.00 75.33 H new ATOM 472 N ILE A 32 0.433 2.569 -15.263 1.00 51.42 N ATOM 473 CA ILE A 32 -0.153 3.894 -15.147 1.00 43.23 C ATOM 474 C ILE A 32 -1.063 3.939 -13.918 1.00 63.01 C ATOM 475 O ILE A 32 -1.748 2.964 -13.613 1.00 13.40 O ATOM 476 CB ILE A 32 -0.857 4.284 -16.448 1.00 41.53 C ATOM 477 CG1 ILE A 32 0.140 4.376 -17.605 1.00 43.52 C ATOM 478 CG2 ILE A 32 -1.653 5.579 -16.274 1.00 13.23 C ATOM 479 CD1 ILE A 32 -0.581 4.344 -18.954 1.00 43.33 C ATOM 0 H ILE A 32 0.475 2.203 -16.214 1.00 51.42 H new ATOM 0 HA ILE A 32 0.625 4.642 -14.996 1.00 43.23 H new ATOM 0 HB ILE A 32 -1.570 3.499 -16.699 1.00 41.53 H new ATOM 0 HG12 ILE A 32 0.718 5.296 -17.519 1.00 43.52 H new ATOM 0 HG13 ILE A 32 0.847 3.549 -17.547 1.00 43.52 H new ATOM 0 HG21 ILE A 32 -2.143 5.834 -17.214 1.00 13.23 H new ATOM 0 HG22 ILE A 32 -2.405 5.442 -15.497 1.00 13.23 H new ATOM 0 HG23 ILE A 32 -0.978 6.385 -15.987 1.00 13.23 H new ATOM 0 HD11 ILE A 32 0.151 4.411 -19.759 1.00 43.33 H new ATOM 0 HD12 ILE A 32 -1.138 3.412 -19.047 1.00 43.33 H new ATOM 0 HD13 ILE A 32 -1.270 5.186 -19.019 1.00 43.33 H new ATOM 491 N PRO A 33 -1.039 5.111 -13.228 1.00 31.41 N ATOM 492 CA PRO A 33 -1.853 5.295 -12.039 1.00 14.32 C ATOM 493 C PRO A 33 -3.324 5.502 -12.408 1.00 2.31 C ATOM 494 O PRO A 33 -3.631 6.038 -13.472 1.00 1.13 O ATOM 495 CB PRO A 33 -1.245 6.493 -11.328 1.00 32.15 C ATOM 496 CG PRO A 33 -0.410 7.217 -12.371 1.00 1.33 C ATOM 497 CD PRO A 33 -0.239 6.286 -13.560 1.00 14.11 C ATOM 0 HA PRO A 33 -1.852 4.420 -11.389 1.00 14.32 H new ATOM 0 HB2 PRO A 33 -2.021 7.145 -10.928 1.00 32.15 H new ATOM 0 HB3 PRO A 33 -0.629 6.176 -10.486 1.00 32.15 H new ATOM 0 HG2 PRO A 33 -0.900 8.141 -12.677 1.00 1.33 H new ATOM 0 HG3 PRO A 33 0.561 7.492 -11.959 1.00 1.33 H new ATOM 0 HD2 PRO A 33 -0.585 6.753 -14.482 1.00 14.11 H new ATOM 0 HD3 PRO A 33 0.808 6.023 -13.710 1.00 14.11 H new ATOM 505 N ALA A 34 -4.194 5.067 -11.508 1.00 65.13 N ATOM 506 CA ALA A 34 -5.624 5.198 -11.726 1.00 32.01 C ATOM 507 C ALA A 34 -5.995 6.682 -11.774 1.00 65.33 C ATOM 508 O ALA A 34 -7.101 7.036 -12.179 1.00 2.14 O ATOM 509 CB ALA A 34 -6.379 4.444 -10.629 1.00 3.10 C ATOM 0 H ALA A 34 -3.936 4.624 -10.626 1.00 65.13 H new ATOM 0 HA ALA A 34 -5.908 4.756 -12.681 1.00 32.01 H new ATOM 0 HB1 ALA A 34 -7.452 4.542 -10.792 1.00 3.10 H new ATOM 0 HB2 ALA A 34 -6.103 3.390 -10.656 1.00 3.10 H new ATOM 0 HB3 ALA A 34 -6.120 4.862 -9.656 1.00 3.10 H new ATOM 515 N GLU A 35 -5.048 7.509 -11.356 1.00 61.02 N ATOM 516 CA GLU A 35 -5.261 8.946 -11.347 1.00 3.33 C ATOM 517 C GLU A 35 -5.061 9.522 -12.750 1.00 65.22 C ATOM 518 O GLU A 35 -5.372 10.686 -12.998 1.00 22.22 O ATOM 519 CB GLU A 35 -4.338 9.631 -10.337 1.00 25.42 C ATOM 520 CG GLU A 35 -2.911 9.735 -10.881 1.00 32.25 C ATOM 521 CD GLU A 35 -1.886 9.660 -9.748 1.00 24.55 C ATOM 522 OE1 GLU A 35 -0.693 9.437 -10.005 1.00 11.15 O ATOM 523 OE2 GLU A 35 -2.366 9.843 -8.564 1.00 61.24 O ATOM 0 H GLU A 35 -4.132 7.211 -11.021 1.00 61.02 H new ATOM 0 HA GLU A 35 -6.289 9.139 -11.040 1.00 3.33 H new ATOM 0 HB2 GLU A 35 -4.718 10.627 -10.109 1.00 25.42 H new ATOM 0 HB3 GLU A 35 -4.335 9.070 -9.403 1.00 25.42 H new ATOM 0 HG2 GLU A 35 -2.730 8.930 -11.594 1.00 32.25 H new ATOM 0 HG3 GLU A 35 -2.792 10.673 -11.423 1.00 32.25 H new ATOM 531 N ASP A 36 -4.542 8.680 -13.632 1.00 31.20 N ATOM 532 CA ASP A 36 -4.297 9.090 -15.004 1.00 43.31 C ATOM 533 C ASP A 36 -5.425 8.570 -15.897 1.00 11.10 C ATOM 534 O ASP A 36 -5.489 8.902 -17.080 1.00 10.55 O ATOM 535 CB ASP A 36 -2.978 8.514 -15.524 1.00 75.31 C ATOM 536 CG ASP A 36 -1.732 9.329 -15.172 1.00 35.35 C ATOM 537 OD1 ASP A 36 -1.569 9.784 -14.030 1.00 21.33 O ATOM 538 OD2 ASP A 36 -0.896 9.493 -16.140 1.00 73.21 O ATOM 0 H ASP A 36 -4.284 7.715 -13.423 1.00 31.20 H new ATOM 0 HA ASP A 36 -4.249 10.179 -15.027 1.00 43.31 H new ATOM 0 HB2 ASP A 36 -2.858 7.506 -15.127 1.00 75.31 H new ATOM 0 HB3 ASP A 36 -3.041 8.425 -16.609 1.00 75.31 H new ATOM 544 N ILE A 37 -6.287 7.763 -15.297 1.00 31.23 N ATOM 545 CA ILE A 37 -7.410 7.193 -16.023 1.00 3.43 C ATOM 546 C ILE A 37 -8.177 8.314 -16.727 1.00 40.12 C ATOM 547 O ILE A 37 -8.486 8.210 -17.913 1.00 64.52 O ATOM 548 CB ILE A 37 -8.277 6.346 -15.089 1.00 52.54 C ATOM 549 CG1 ILE A 37 -7.811 4.889 -15.079 1.00 44.32 C ATOM 550 CG2 ILE A 37 -9.758 6.472 -15.454 1.00 30.44 C ATOM 551 CD1 ILE A 37 -8.830 3.992 -14.374 1.00 51.14 C ATOM 0 H ILE A 37 -6.231 7.490 -14.316 1.00 31.23 H new ATOM 0 HA ILE A 37 -7.058 6.512 -16.798 1.00 3.43 H new ATOM 0 HB ILE A 37 -8.161 6.727 -14.074 1.00 52.54 H new ATOM 0 HG12 ILE A 37 -7.664 4.544 -16.102 1.00 44.32 H new ATOM 0 HG13 ILE A 37 -6.847 4.815 -14.576 1.00 44.32 H new ATOM 0 HG21 ILE A 37 -10.353 5.861 -14.776 1.00 30.44 H new ATOM 0 HG22 ILE A 37 -10.066 7.514 -15.369 1.00 30.44 H new ATOM 0 HG23 ILE A 37 -9.911 6.131 -16.478 1.00 30.44 H new ATOM 0 HD11 ILE A 37 -8.474 2.962 -14.381 1.00 51.14 H new ATOM 0 HD12 ILE A 37 -8.957 4.325 -13.344 1.00 51.14 H new ATOM 0 HD13 ILE A 37 -9.786 4.049 -14.894 1.00 51.14 H new ATOM 563 N PRO A 38 -8.470 9.388 -15.947 1.00 14.53 N ATOM 564 CA PRO A 38 -9.196 10.527 -16.483 1.00 43.43 C ATOM 565 C PRO A 38 -8.294 11.380 -17.378 1.00 4.01 C ATOM 566 O PRO A 38 -8.764 12.303 -18.041 1.00 35.11 O ATOM 567 CB PRO A 38 -9.705 11.279 -15.264 1.00 41.23 C ATOM 568 CG PRO A 38 -8.860 10.799 -14.095 1.00 51.05 C ATOM 569 CD PRO A 38 -8.121 9.547 -14.538 1.00 62.11 C ATOM 0 HA PRO A 38 -10.025 10.232 -17.127 1.00 43.43 H new ATOM 0 HB2 PRO A 38 -9.607 12.356 -15.400 1.00 41.23 H new ATOM 0 HB3 PRO A 38 -10.762 11.074 -15.092 1.00 41.23 H new ATOM 0 HG2 PRO A 38 -8.154 11.572 -13.792 1.00 51.05 H new ATOM 0 HG3 PRO A 38 -9.489 10.585 -13.231 1.00 51.05 H new ATOM 0 HD2 PRO A 38 -7.044 9.656 -14.407 1.00 62.11 H new ATOM 0 HD3 PRO A 38 -8.427 8.679 -13.954 1.00 62.11 H new ATOM 577 N ARG A 39 -7.013 11.040 -17.368 1.00 11.41 N ATOM 578 CA ARG A 39 -6.041 11.763 -18.170 1.00 42.03 C ATOM 579 C ARG A 39 -5.771 11.015 -19.478 1.00 2.43 C ATOM 580 O ARG A 39 -5.365 11.619 -20.470 1.00 23.15 O ATOM 581 CB ARG A 39 -4.724 11.942 -17.412 1.00 33.43 C ATOM 582 CG ARG A 39 -4.838 13.058 -16.371 1.00 71.41 C ATOM 583 CD ARG A 39 -3.665 13.015 -15.390 1.00 65.54 C ATOM 584 NE ARG A 39 -2.495 13.713 -15.969 1.00 53.04 N ATOM 585 CZ ARG A 39 -1.613 13.139 -16.815 1.00 53.21 C ATOM 586 NH1 ARG A 39 -1.761 11.850 -17.188 1.00 41.11 N ATOM 587 NH2 ARG A 39 -0.604 13.857 -17.272 1.00 12.33 N ATOM 0 H ARG A 39 -6.626 10.274 -16.817 1.00 11.41 H new ATOM 0 HA ARG A 39 -6.457 12.746 -18.388 1.00 42.03 H new ATOM 0 HB2 ARG A 39 -4.453 11.008 -16.920 1.00 33.43 H new ATOM 0 HB3 ARG A 39 -3.924 12.176 -18.115 1.00 33.43 H new ATOM 0 HG2 ARG A 39 -4.863 14.026 -16.872 1.00 71.41 H new ATOM 0 HG3 ARG A 39 -5.776 12.957 -15.826 1.00 71.41 H new ATOM 0 HD2 ARG A 39 -3.950 13.485 -14.449 1.00 65.54 H new ATOM 0 HD3 ARG A 39 -3.407 11.980 -15.164 1.00 65.54 H new ATOM 0 HE ARG A 39 -2.346 14.689 -15.713 1.00 53.04 H new ATOM 0 HH11 ARG A 39 -2.544 11.302 -16.830 1.00 41.11 H new ATOM 0 HH12 ARG A 39 -1.090 11.424 -17.828 1.00 41.11 H new ATOM 0 HH21 ARG A 39 -0.500 14.830 -16.985 1.00 12.33 H new ATOM 0 HH22 ARG A 39 0.071 13.439 -17.912 1.00 12.33 H new ATOM 600 N LEU A 40 -6.007 9.712 -19.437 1.00 11.43 N ATOM 601 CA LEU A 40 -5.794 8.876 -20.606 1.00 14.13 C ATOM 602 C LEU A 40 -6.958 9.064 -21.581 1.00 14.33 C ATOM 603 O LEU A 40 -6.829 8.778 -22.770 1.00 12.11 O ATOM 604 CB LEU A 40 -5.570 7.421 -20.190 1.00 22.12 C ATOM 605 CG LEU A 40 -4.356 7.159 -19.295 1.00 75.43 C ATOM 606 CD1 LEU A 40 -4.574 5.919 -18.426 1.00 13.15 C ATOM 607 CD2 LEU A 40 -3.075 7.059 -20.125 1.00 61.41 C ATOM 0 H LEU A 40 -6.344 9.215 -18.613 1.00 11.43 H new ATOM 0 HA LEU A 40 -4.887 9.177 -21.130 1.00 14.13 H new ATOM 0 HB2 LEU A 40 -6.462 7.071 -19.670 1.00 22.12 H new ATOM 0 HB3 LEU A 40 -5.469 6.817 -21.092 1.00 22.12 H new ATOM 0 HG LEU A 40 -4.238 8.008 -18.621 1.00 75.43 H new ATOM 0 HD11 LEU A 40 -3.697 5.755 -17.800 1.00 13.15 H new ATOM 0 HD12 LEU A 40 -5.449 6.067 -17.793 1.00 13.15 H new ATOM 0 HD13 LEU A 40 -4.731 5.050 -19.065 1.00 13.15 H new ATOM 0 HD21 LEU A 40 -2.228 6.873 -19.465 1.00 61.41 H new ATOM 0 HD22 LEU A 40 -3.167 6.240 -20.838 1.00 61.41 H new ATOM 0 HD23 LEU A 40 -2.917 7.993 -20.664 1.00 61.41 H new ATOM 619 N ILE A 41 -8.069 9.545 -21.041 1.00 21.42 N ATOM 620 CA ILE A 41 -9.255 9.774 -21.848 1.00 41.52 C ATOM 621 C ILE A 41 -8.896 10.680 -23.028 1.00 2.00 C ATOM 622 O ILE A 41 -8.216 11.690 -22.855 1.00 42.42 O ATOM 623 CB ILE A 41 -10.395 10.315 -20.983 1.00 75.32 C ATOM 624 CG1 ILE A 41 -10.621 9.428 -19.757 1.00 74.52 C ATOM 625 CG2 ILE A 41 -11.673 10.490 -21.807 1.00 43.01 C ATOM 626 CD1 ILE A 41 -11.882 8.577 -19.921 1.00 74.41 C ATOM 0 H ILE A 41 -8.172 9.782 -20.054 1.00 21.42 H new ATOM 0 HA ILE A 41 -9.619 8.835 -22.265 1.00 41.52 H new ATOM 0 HB ILE A 41 -10.109 11.302 -20.619 1.00 75.32 H new ATOM 0 HG12 ILE A 41 -9.757 8.780 -19.608 1.00 74.52 H new ATOM 0 HG13 ILE A 41 -10.710 10.049 -18.866 1.00 74.52 H new ATOM 0 HG21 ILE A 41 -12.468 10.876 -21.168 1.00 43.01 H new ATOM 0 HG22 ILE A 41 -11.488 11.192 -22.620 1.00 43.01 H new ATOM 0 HG23 ILE A 41 -11.974 9.527 -22.220 1.00 43.01 H new ATOM 0 HD11 ILE A 41 -12.019 7.956 -19.036 1.00 74.41 H new ATOM 0 HD12 ILE A 41 -12.747 9.228 -20.045 1.00 74.41 H new ATOM 0 HD13 ILE A 41 -11.779 7.940 -20.799 1.00 74.41 H new ATOM 638 N SER A 42 -9.369 10.285 -24.201 1.00 3.30 N ATOM 639 CA SER A 42 -9.106 11.049 -25.409 1.00 61.31 C ATOM 640 C SER A 42 -7.754 10.643 -26.001 1.00 14.33 C ATOM 641 O SER A 42 -7.430 11.013 -27.128 1.00 73.12 O ATOM 642 CB SER A 42 -9.132 12.552 -25.127 1.00 54.22 C ATOM 643 OG SER A 42 -9.399 13.311 -26.303 1.00 54.33 O ATOM 0 H SER A 42 -9.933 9.446 -24.341 1.00 3.30 H new ATOM 0 HA SER A 42 -9.893 10.829 -26.131 1.00 61.31 H new ATOM 0 HB2 SER A 42 -9.893 12.767 -24.376 1.00 54.22 H new ATOM 0 HB3 SER A 42 -8.174 12.859 -24.707 1.00 54.22 H new ATOM 0 HG SER A 42 -9.409 14.265 -26.081 1.00 54.33 H new ATOM 649 N MET A 43 -7.002 9.889 -25.213 1.00 72.32 N ATOM 650 CA MET A 43 -5.693 9.429 -25.645 1.00 11.12 C ATOM 651 C MET A 43 -5.763 7.997 -26.179 1.00 34.14 C ATOM 652 O MET A 43 -6.333 7.118 -25.534 1.00 71.31 O ATOM 653 CB MET A 43 -4.717 9.488 -24.468 1.00 15.12 C ATOM 654 CG MET A 43 -4.881 10.792 -23.685 1.00 14.43 C ATOM 655 SD MET A 43 -3.303 11.320 -23.040 1.00 23.32 S ATOM 656 CE MET A 43 -2.571 9.733 -22.677 1.00 24.24 C ATOM 0 H MET A 43 -7.274 9.585 -24.278 1.00 72.32 H new ATOM 0 HA MET A 43 -5.347 10.079 -26.448 1.00 11.12 H new ATOM 0 HB2 MET A 43 -4.887 8.639 -23.807 1.00 15.12 H new ATOM 0 HB3 MET A 43 -3.694 9.406 -24.835 1.00 15.12 H new ATOM 0 HG2 MET A 43 -5.295 11.565 -24.332 1.00 14.43 H new ATOM 0 HG3 MET A 43 -5.588 10.648 -22.868 1.00 14.43 H new ATOM 0 HE1 MET A 43 -1.927 9.821 -21.802 1.00 24.24 H new ATOM 0 HE2 MET A 43 -3.358 9.006 -22.477 1.00 24.24 H new ATOM 0 HE3 MET A 43 -1.980 9.401 -23.531 1.00 24.24 H new ATOM 666 N GLN A 44 -5.176 7.807 -27.351 1.00 31.21 N ATOM 667 CA GLN A 44 -5.165 6.496 -27.979 1.00 1.43 C ATOM 668 C GLN A 44 -3.917 5.717 -27.559 1.00 3.41 C ATOM 669 O GLN A 44 -2.909 6.311 -27.177 1.00 54.10 O ATOM 670 CB GLN A 44 -5.249 6.617 -29.501 1.00 54.25 C ATOM 671 CG GLN A 44 -6.344 7.604 -29.913 1.00 71.44 C ATOM 672 CD GLN A 44 -6.119 8.107 -31.340 1.00 54.45 C ATOM 673 OE1 GLN A 44 -5.545 9.158 -31.572 1.00 43.40 O ATOM 674 NE2 GLN A 44 -6.603 7.301 -32.281 1.00 52.43 N ATOM 0 H GLN A 44 -4.704 8.539 -27.883 1.00 31.21 H new ATOM 0 HA GLN A 44 -6.044 5.946 -27.642 1.00 1.43 H new ATOM 0 HB2 GLN A 44 -4.289 6.948 -29.897 1.00 54.25 H new ATOM 0 HB3 GLN A 44 -5.453 5.639 -29.936 1.00 54.25 H new ATOM 0 HG2 GLN A 44 -7.319 7.121 -29.843 1.00 71.44 H new ATOM 0 HG3 GLN A 44 -6.356 8.448 -29.224 1.00 71.44 H new ATOM 0 HE21 GLN A 44 -7.073 6.435 -32.018 1.00 52.43 H new ATOM 0 HE22 GLN A 44 -6.504 7.549 -33.265 1.00 52.43 H new ATOM 683 N VAL A 45 -4.024 4.400 -27.644 1.00 32.42 N ATOM 684 CA VAL A 45 -2.917 3.533 -27.278 1.00 3.25 C ATOM 685 C VAL A 45 -2.022 3.312 -28.499 1.00 53.00 C ATOM 686 O VAL A 45 -2.482 3.410 -29.636 1.00 34.44 O ATOM 687 CB VAL A 45 -3.448 2.228 -26.682 1.00 12.14 C ATOM 688 CG1 VAL A 45 -4.120 2.476 -25.330 1.00 11.43 C ATOM 689 CG2 VAL A 45 -4.406 1.533 -27.651 1.00 14.01 C ATOM 0 H VAL A 45 -4.861 3.911 -27.961 1.00 32.42 H new ATOM 0 HA VAL A 45 -2.305 4.001 -26.507 1.00 3.25 H new ATOM 0 HB VAL A 45 -2.599 1.565 -26.517 1.00 12.14 H new ATOM 0 HG11 VAL A 45 -4.489 1.532 -24.928 1.00 11.43 H new ATOM 0 HG12 VAL A 45 -3.397 2.907 -24.638 1.00 11.43 H new ATOM 0 HG13 VAL A 45 -4.954 3.166 -25.459 1.00 11.43 H new ATOM 0 HG21 VAL A 45 -4.769 0.608 -27.203 1.00 14.01 H new ATOM 0 HG22 VAL A 45 -5.250 2.190 -27.862 1.00 14.01 H new ATOM 0 HG23 VAL A 45 -3.883 1.305 -28.580 1.00 14.01 H new ATOM 699 N ASN A 46 -0.760 3.018 -28.223 1.00 12.40 N ATOM 700 CA ASN A 46 0.203 2.783 -29.285 1.00 71.52 C ATOM 701 C ASN A 46 0.492 1.283 -29.382 1.00 54.22 C ATOM 702 O ASN A 46 1.606 0.882 -29.714 1.00 41.24 O ATOM 703 CB ASN A 46 1.523 3.501 -29.001 1.00 24.12 C ATOM 704 CG ASN A 46 2.203 2.926 -27.756 1.00 41.42 C ATOM 705 OD1 ASN A 46 2.347 1.726 -27.594 1.00 61.21 O ATOM 706 ND2 ASN A 46 2.612 3.848 -26.889 1.00 13.21 N ATOM 0 H ASN A 46 -0.382 2.937 -27.279 1.00 12.40 H new ATOM 0 HA ASN A 46 -0.221 3.163 -30.215 1.00 71.52 H new ATOM 0 HB2 ASN A 46 2.187 3.403 -29.860 1.00 24.12 H new ATOM 0 HB3 ASN A 46 1.339 4.566 -28.860 1.00 24.12 H new ATOM 0 HD21 ASN A 46 3.078 3.566 -26.027 1.00 13.21 H new ATOM 0 HD22 ASN A 46 2.460 4.837 -27.087 1.00 13.21 H new ATOM 713 N GLN A 47 -0.532 0.496 -29.086 1.00 62.43 N ATOM 714 CA GLN A 47 -0.402 -0.951 -29.136 1.00 41.20 C ATOM 715 C GLN A 47 -1.735 -1.616 -28.787 1.00 2.25 C ATOM 716 O GLN A 47 -2.571 -1.020 -28.110 1.00 12.24 O ATOM 717 CB GLN A 47 0.712 -1.434 -28.205 1.00 43.43 C ATOM 718 CG GLN A 47 0.550 -2.920 -27.881 1.00 64.13 C ATOM 719 CD GLN A 47 1.747 -3.441 -27.083 1.00 3.43 C ATOM 720 OE1 GLN A 47 2.322 -4.475 -27.379 1.00 73.35 O ATOM 721 NE2 GLN A 47 2.090 -2.668 -26.056 1.00 12.12 N ATOM 0 H GLN A 47 -1.455 0.832 -28.811 1.00 62.43 H new ATOM 0 HA GLN A 47 -0.131 -1.237 -30.152 1.00 41.20 H new ATOM 0 HB2 GLN A 47 1.681 -1.264 -28.673 1.00 43.43 H new ATOM 0 HB3 GLN A 47 0.697 -0.853 -27.283 1.00 43.43 H new ATOM 0 HG2 GLN A 47 -0.366 -3.074 -27.311 1.00 64.13 H new ATOM 0 HG3 GLN A 47 0.449 -3.489 -28.806 1.00 64.13 H new ATOM 0 HE21 GLN A 47 1.566 -1.814 -25.863 1.00 12.12 H new ATOM 0 HE22 GLN A 47 2.877 -2.929 -25.462 1.00 12.12 H new ATOM 730 N VAL A 48 -1.891 -2.842 -29.264 1.00 12.31 N ATOM 731 CA VAL A 48 -3.108 -3.594 -29.010 1.00 72.13 C ATOM 732 C VAL A 48 -3.087 -4.120 -27.574 1.00 35.12 C ATOM 733 O VAL A 48 -2.493 -5.161 -27.299 1.00 32.33 O ATOM 734 CB VAL A 48 -3.263 -4.705 -30.051 1.00 54.54 C ATOM 735 CG1 VAL A 48 -4.139 -5.839 -29.516 1.00 62.31 C ATOM 736 CG2 VAL A 48 -3.824 -4.152 -31.363 1.00 41.43 C ATOM 0 H VAL A 48 -1.195 -3.333 -29.825 1.00 12.31 H new ATOM 0 HA VAL A 48 -3.982 -2.950 -29.108 1.00 72.13 H new ATOM 0 HB VAL A 48 -2.273 -5.114 -30.255 1.00 54.54 H new ATOM 0 HG11 VAL A 48 -4.233 -6.615 -30.275 1.00 62.31 H new ATOM 0 HG12 VAL A 48 -3.682 -6.260 -28.621 1.00 62.31 H new ATOM 0 HG13 VAL A 48 -5.127 -5.450 -29.270 1.00 62.31 H new ATOM 0 HG21 VAL A 48 -3.924 -4.962 -32.086 1.00 41.43 H new ATOM 0 HG22 VAL A 48 -4.801 -3.705 -31.181 1.00 41.43 H new ATOM 0 HG23 VAL A 48 -3.146 -3.395 -31.758 1.00 41.43 H new ATOM 746 N VAL A 49 -3.744 -3.376 -26.696 1.00 24.05 N ATOM 747 CA VAL A 49 -3.808 -3.754 -25.294 1.00 70.41 C ATOM 748 C VAL A 49 -5.095 -4.542 -25.042 1.00 13.25 C ATOM 749 O VAL A 49 -6.193 -4.005 -25.181 1.00 71.14 O ATOM 750 CB VAL A 49 -3.684 -2.512 -24.410 1.00 53.53 C ATOM 751 CG1 VAL A 49 -3.778 -2.881 -22.929 1.00 5.04 C ATOM 752 CG2 VAL A 49 -2.388 -1.755 -24.706 1.00 62.15 C ATOM 0 H VAL A 49 -4.237 -2.514 -26.928 1.00 24.05 H new ATOM 0 HA VAL A 49 -2.972 -4.404 -25.035 1.00 70.41 H new ATOM 0 HB VAL A 49 -4.518 -1.851 -24.643 1.00 53.53 H new ATOM 0 HG11 VAL A 49 -3.687 -1.980 -22.323 1.00 5.04 H new ATOM 0 HG12 VAL A 49 -4.740 -3.355 -22.732 1.00 5.04 H new ATOM 0 HG13 VAL A 49 -2.974 -3.572 -22.675 1.00 5.04 H new ATOM 0 HG21 VAL A 49 -2.325 -0.876 -24.064 1.00 62.15 H new ATOM 0 HG22 VAL A 49 -1.535 -2.406 -24.515 1.00 62.15 H new ATOM 0 HG23 VAL A 49 -2.380 -1.442 -25.750 1.00 62.15 H new ATOM 762 N PRO A 50 -4.913 -5.836 -24.664 1.00 40.50 N ATOM 763 CA PRO A 50 -6.047 -6.702 -24.391 1.00 24.34 C ATOM 764 C PRO A 50 -6.684 -6.362 -23.042 1.00 31.31 C ATOM 765 O PRO A 50 -6.042 -5.761 -22.182 1.00 55.30 O ATOM 766 CB PRO A 50 -5.485 -8.114 -24.443 1.00 44.51 C ATOM 767 CG PRO A 50 -3.980 -7.969 -24.282 1.00 60.23 C ATOM 768 CD PRO A 50 -3.628 -6.505 -24.488 1.00 65.11 C ATOM 0 HA PRO A 50 -6.853 -6.581 -25.115 1.00 24.34 H new ATOM 0 HB2 PRO A 50 -5.905 -8.731 -23.649 1.00 44.51 H new ATOM 0 HB3 PRO A 50 -5.732 -8.598 -25.388 1.00 44.51 H new ATOM 0 HG2 PRO A 50 -3.668 -8.301 -23.292 1.00 60.23 H new ATOM 0 HG3 PRO A 50 -3.457 -8.593 -25.007 1.00 60.23 H new ATOM 0 HD2 PRO A 50 -3.087 -6.104 -23.631 1.00 65.11 H new ATOM 0 HD3 PRO A 50 -2.989 -6.370 -25.361 1.00 65.11 H new ATOM 776 N MET A 51 -7.939 -6.763 -22.899 1.00 50.50 N ATOM 777 CA MET A 51 -8.670 -6.508 -21.669 1.00 53.05 C ATOM 778 C MET A 51 -7.995 -7.191 -20.478 1.00 50.14 C ATOM 779 O MET A 51 -7.850 -8.412 -20.459 1.00 32.22 O ATOM 780 CB MET A 51 -10.103 -7.027 -21.811 1.00 2.43 C ATOM 781 CG MET A 51 -10.892 -6.816 -20.517 1.00 11.10 C ATOM 782 SD MET A 51 -12.568 -7.394 -20.724 1.00 13.54 S ATOM 783 CE MET A 51 -12.269 -9.138 -20.956 1.00 43.21 C ATOM 0 H MET A 51 -8.468 -7.262 -23.614 1.00 50.50 H new ATOM 0 HA MET A 51 -8.679 -5.433 -21.489 1.00 53.05 H new ATOM 0 HB2 MET A 51 -10.601 -6.512 -22.633 1.00 2.43 H new ATOM 0 HB3 MET A 51 -10.087 -8.087 -22.063 1.00 2.43 H new ATOM 0 HG2 MET A 51 -10.412 -7.351 -19.697 1.00 11.10 H new ATOM 0 HG3 MET A 51 -10.893 -5.759 -20.250 1.00 11.10 H new ATOM 0 HE1 MET A 51 -13.167 -9.699 -20.697 1.00 43.21 H new ATOM 0 HE2 MET A 51 -12.011 -9.327 -21.998 1.00 43.21 H new ATOM 0 HE3 MET A 51 -11.446 -9.454 -20.315 1.00 43.21 H new ATOM 793 N GLY A 52 -7.600 -6.373 -19.514 1.00 42.32 N ATOM 794 CA GLY A 52 -6.943 -6.883 -18.322 1.00 52.44 C ATOM 795 C GLY A 52 -5.451 -6.545 -18.331 1.00 40.53 C ATOM 796 O GLY A 52 -4.780 -6.655 -17.306 1.00 43.25 O ATOM 0 H GLY A 52 -7.722 -5.361 -19.534 1.00 42.32 H new ATOM 0 HA2 GLY A 52 -7.411 -6.457 -17.434 1.00 52.44 H new ATOM 0 HA3 GLY A 52 -7.074 -7.964 -18.264 1.00 52.44 H new ATOM 800 N THR A 53 -4.976 -6.140 -19.500 1.00 4.42 N ATOM 801 CA THR A 53 -3.575 -5.785 -19.656 1.00 12.34 C ATOM 802 C THR A 53 -3.310 -4.393 -19.078 1.00 32.12 C ATOM 803 O THR A 53 -3.853 -3.402 -19.564 1.00 4.34 O ATOM 804 CB THR A 53 -3.219 -5.905 -21.139 1.00 13.22 C ATOM 805 OG1 THR A 53 -3.220 -7.309 -21.383 1.00 42.54 O ATOM 806 CG2 THR A 53 -1.780 -5.476 -21.432 1.00 52.12 C ATOM 0 H THR A 53 -5.536 -6.050 -20.348 1.00 4.42 H new ATOM 0 HA THR A 53 -2.931 -6.463 -19.096 1.00 12.34 H new ATOM 0 HB THR A 53 -3.906 -5.297 -21.728 1.00 13.22 H new ATOM 0 HG1 THR A 53 -2.365 -7.572 -21.783 1.00 42.54 H new ATOM 0 HG21 THR A 53 -1.579 -5.581 -22.498 1.00 52.12 H new ATOM 0 HG22 THR A 53 -1.643 -4.436 -21.137 1.00 52.12 H new ATOM 0 HG23 THR A 53 -1.091 -6.106 -20.870 1.00 52.12 H new ATOM 814 N THR A 54 -2.476 -4.364 -18.049 1.00 12.32 N ATOM 815 CA THR A 54 -2.133 -3.110 -17.400 1.00 4.04 C ATOM 816 C THR A 54 -1.714 -2.068 -18.439 1.00 71.30 C ATOM 817 O THR A 54 -1.034 -2.394 -19.411 1.00 32.31 O ATOM 818 CB THR A 54 -1.050 -3.398 -16.358 1.00 64.20 C ATOM 819 OG1 THR A 54 -1.456 -4.629 -15.766 1.00 71.00 O ATOM 820 CG2 THR A 54 -1.073 -2.401 -15.198 1.00 22.13 C ATOM 0 H THR A 54 -2.028 -5.188 -17.649 1.00 12.32 H new ATOM 0 HA THR A 54 -2.994 -2.682 -16.886 1.00 4.04 H new ATOM 0 HB THR A 54 -0.071 -3.375 -16.837 1.00 64.20 H new ATOM 0 HG1 THR A 54 -0.687 -5.051 -15.329 1.00 71.00 H new ATOM 0 HG21 THR A 54 -0.285 -2.651 -14.488 1.00 22.13 H new ATOM 0 HG22 THR A 54 -0.910 -1.394 -15.581 1.00 22.13 H new ATOM 0 HG23 THR A 54 -2.040 -2.447 -14.698 1.00 22.13 H new ATOM 828 N LEU A 55 -2.138 -0.836 -18.199 1.00 22.21 N ATOM 829 CA LEU A 55 -1.815 0.255 -19.102 1.00 55.41 C ATOM 830 C LEU A 55 -0.475 0.870 -18.695 1.00 24.40 C ATOM 831 O LEU A 55 -0.263 1.188 -17.526 1.00 11.11 O ATOM 832 CB LEU A 55 -2.964 1.265 -19.154 1.00 20.03 C ATOM 833 CG LEU A 55 -3.043 2.127 -20.415 1.00 43.41 C ATOM 834 CD1 LEU A 55 -2.785 1.290 -21.669 1.00 74.40 C ATOM 835 CD2 LEU A 55 -4.377 2.872 -20.487 1.00 51.54 C ATOM 0 H LEU A 55 -2.702 -0.569 -17.392 1.00 22.21 H new ATOM 0 HA LEU A 55 -1.699 -0.116 -20.120 1.00 55.41 H new ATOM 0 HB2 LEU A 55 -3.903 0.722 -19.050 1.00 20.03 H new ATOM 0 HB3 LEU A 55 -2.880 1.926 -18.291 1.00 20.03 H new ATOM 0 HG LEU A 55 -2.256 2.880 -20.364 1.00 43.41 H new ATOM 0 HD11 LEU A 55 -2.847 1.927 -22.551 1.00 74.40 H new ATOM 0 HD12 LEU A 55 -1.791 0.846 -21.612 1.00 74.40 H new ATOM 0 HD13 LEU A 55 -3.532 0.500 -21.739 1.00 74.40 H new ATOM 0 HD21 LEU A 55 -4.407 3.477 -21.393 1.00 51.54 H new ATOM 0 HD22 LEU A 55 -5.195 2.152 -20.504 1.00 51.54 H new ATOM 0 HD23 LEU A 55 -4.480 3.518 -19.615 1.00 51.54 H new ATOM 847 N MET A 56 0.396 1.017 -19.682 1.00 44.43 N ATOM 848 CA MET A 56 1.711 1.588 -19.442 1.00 31.35 C ATOM 849 C MET A 56 1.800 3.012 -19.994 1.00 65.32 C ATOM 850 O MET A 56 0.996 3.406 -20.837 1.00 10.11 O ATOM 851 CB MET A 56 2.776 0.714 -20.107 1.00 23.15 C ATOM 852 CG MET A 56 3.038 -0.551 -19.286 1.00 60.04 C ATOM 853 SD MET A 56 4.361 -0.262 -18.124 1.00 65.01 S ATOM 854 CE MET A 56 3.474 -0.459 -16.588 1.00 55.42 C ATOM 0 H MET A 56 0.217 0.751 -20.650 1.00 44.43 H new ATOM 0 HA MET A 56 1.879 1.625 -18.366 1.00 31.35 H new ATOM 0 HB2 MET A 56 2.452 0.440 -21.111 1.00 23.15 H new ATOM 0 HB3 MET A 56 3.701 1.280 -20.215 1.00 23.15 H new ATOM 0 HG2 MET A 56 2.133 -0.843 -18.754 1.00 60.04 H new ATOM 0 HG3 MET A 56 3.299 -1.377 -19.948 1.00 60.04 H new ATOM 0 HE1 MET A 56 4.184 -0.523 -15.763 1.00 55.42 H new ATOM 0 HE2 MET A 56 2.816 0.397 -16.435 1.00 55.42 H new ATOM 0 HE3 MET A 56 2.879 -1.371 -16.626 1.00 55.42 H new ATOM 864 N PRO A 57 2.812 3.764 -19.484 1.00 63.40 N ATOM 865 CA PRO A 57 3.018 5.135 -19.917 1.00 55.25 C ATOM 866 C PRO A 57 3.641 5.182 -21.314 1.00 72.50 C ATOM 867 O PRO A 57 3.514 6.180 -22.022 1.00 33.43 O ATOM 868 CB PRO A 57 3.904 5.757 -18.850 1.00 72.44 C ATOM 869 CG PRO A 57 4.541 4.593 -18.108 1.00 50.03 C ATOM 870 CD PRO A 57 3.784 3.330 -18.485 1.00 23.33 C ATOM 0 HA PRO A 57 2.085 5.690 -20.013 1.00 55.25 H new ATOM 0 HB2 PRO A 57 4.664 6.398 -19.298 1.00 72.44 H new ATOM 0 HB3 PRO A 57 3.321 6.380 -18.172 1.00 72.44 H new ATOM 0 HG2 PRO A 57 5.594 4.501 -18.374 1.00 50.03 H new ATOM 0 HG3 PRO A 57 4.498 4.757 -17.031 1.00 50.03 H new ATOM 0 HD2 PRO A 57 4.455 2.572 -18.889 1.00 23.33 H new ATOM 0 HD3 PRO A 57 3.291 2.890 -17.618 1.00 23.33 H new ATOM 878 N ASP A 58 4.301 4.089 -21.669 1.00 40.10 N ATOM 879 CA ASP A 58 4.944 3.992 -22.968 1.00 43.33 C ATOM 880 C ASP A 58 4.034 3.223 -23.927 1.00 54.24 C ATOM 881 O ASP A 58 4.441 2.882 -25.037 1.00 1.12 O ATOM 882 CB ASP A 58 6.272 3.239 -22.871 1.00 22.23 C ATOM 883 CG ASP A 58 7.144 3.299 -24.127 1.00 34.31 C ATOM 884 OD1 ASP A 58 8.258 2.757 -24.157 1.00 64.23 O ATOM 885 OD2 ASP A 58 6.628 3.944 -25.118 1.00 32.21 O ATOM 0 H ASP A 58 4.404 3.263 -21.079 1.00 40.10 H new ATOM 0 HA ASP A 58 5.129 5.004 -23.328 1.00 43.33 H new ATOM 0 HB2 ASP A 58 6.840 3.642 -22.033 1.00 22.23 H new ATOM 0 HB3 ASP A 58 6.064 2.194 -22.641 1.00 22.23 H new ATOM 891 N MET A 59 2.818 2.973 -23.465 1.00 74.50 N ATOM 892 CA MET A 59 1.846 2.250 -24.268 1.00 32.10 C ATOM 893 C MET A 59 0.669 3.151 -24.646 1.00 54.15 C ATOM 894 O MET A 59 -0.379 2.665 -25.069 1.00 72.12 O ATOM 895 CB MET A 59 1.332 1.042 -23.483 1.00 30.52 C ATOM 896 CG MET A 59 2.279 -0.151 -23.630 1.00 61.12 C ATOM 897 SD MET A 59 1.394 -1.673 -23.337 1.00 62.31 S ATOM 898 CE MET A 59 0.385 -1.183 -21.949 1.00 54.32 C ATOM 0 H MET A 59 2.483 3.258 -22.545 1.00 74.50 H new ATOM 0 HA MET A 59 2.335 1.918 -25.184 1.00 32.10 H new ATOM 0 HB2 MET A 59 1.232 1.304 -22.430 1.00 30.52 H new ATOM 0 HB3 MET A 59 0.339 0.768 -23.839 1.00 30.52 H new ATOM 0 HG2 MET A 59 2.713 -0.160 -24.630 1.00 61.12 H new ATOM 0 HG3 MET A 59 3.105 -0.059 -22.925 1.00 61.12 H new ATOM 0 HE1 MET A 59 -0.322 -1.978 -21.715 1.00 54.32 H new ATOM 0 HE2 MET A 59 1.022 -0.997 -21.084 1.00 54.32 H new ATOM 0 HE3 MET A 59 -0.161 -0.274 -22.199 1.00 54.32 H new ATOM 908 N VAL A 60 0.881 4.448 -24.481 1.00 12.40 N ATOM 909 CA VAL A 60 -0.150 5.422 -24.800 1.00 23.10 C ATOM 910 C VAL A 60 0.477 6.588 -25.567 1.00 13.53 C ATOM 911 O VAL A 60 1.561 7.053 -25.219 1.00 43.32 O ATOM 912 CB VAL A 60 -0.867 5.863 -23.522 1.00 62.43 C ATOM 913 CG1 VAL A 60 -2.003 6.837 -23.840 1.00 32.34 C ATOM 914 CG2 VAL A 60 -1.383 4.654 -22.739 1.00 10.23 C ATOM 0 H VAL A 60 1.751 4.848 -24.131 1.00 12.40 H new ATOM 0 HA VAL A 60 -0.908 4.979 -25.445 1.00 23.10 H new ATOM 0 HB VAL A 60 -0.145 6.385 -22.894 1.00 62.43 H new ATOM 0 HG11 VAL A 60 -2.496 7.135 -22.915 1.00 32.34 H new ATOM 0 HG12 VAL A 60 -1.598 7.719 -24.336 1.00 32.34 H new ATOM 0 HG13 VAL A 60 -2.725 6.352 -24.496 1.00 32.34 H new ATOM 0 HG21 VAL A 60 -1.888 4.995 -21.835 1.00 10.23 H new ATOM 0 HG22 VAL A 60 -2.084 4.092 -23.357 1.00 10.23 H new ATOM 0 HG23 VAL A 60 -0.545 4.013 -22.466 1.00 10.23 H new ATOM 924 N LYS A 61 -0.233 7.028 -26.595 1.00 53.03 N ATOM 925 CA LYS A 61 0.240 8.131 -27.414 1.00 55.41 C ATOM 926 C LYS A 61 -0.203 9.454 -26.785 1.00 22.14 C ATOM 927 O LYS A 61 -1.242 9.517 -26.129 1.00 25.32 O ATOM 928 CB LYS A 61 -0.217 7.957 -28.864 1.00 15.12 C ATOM 929 CG LYS A 61 0.331 6.659 -29.459 1.00 63.13 C ATOM 930 CD LYS A 61 0.212 6.662 -30.985 1.00 1.03 C ATOM 931 CE LYS A 61 0.070 5.238 -31.526 1.00 41.34 C ATOM 932 NZ LYS A 61 0.190 5.231 -33.002 1.00 24.45 N ATOM 0 H LYS A 61 -1.133 6.641 -26.880 1.00 53.03 H new ATOM 0 HA LYS A 61 1.329 8.141 -27.446 1.00 55.41 H new ATOM 0 HB2 LYS A 61 -1.306 7.950 -28.907 1.00 15.12 H new ATOM 0 HB3 LYS A 61 0.120 8.805 -29.460 1.00 15.12 H new ATOM 0 HG2 LYS A 61 1.375 6.536 -29.172 1.00 63.13 H new ATOM 0 HG3 LYS A 61 -0.214 5.809 -29.050 1.00 63.13 H new ATOM 0 HD2 LYS A 61 -0.651 7.257 -31.285 1.00 1.03 H new ATOM 0 HD3 LYS A 61 1.092 7.135 -31.421 1.00 1.03 H new ATOM 0 HE2 LYS A 61 0.837 4.598 -31.090 1.00 41.34 H new ATOM 0 HE3 LYS A 61 -0.895 4.825 -31.231 1.00 41.34 H new ATOM 0 HZ1 LYS A 61 0.380 4.263 -33.330 1.00 24.45 H new ATOM 0 HZ2 LYS A 61 -0.697 5.572 -33.424 1.00 24.45 H new ATOM 0 HZ3 LYS A 61 0.972 5.854 -33.290 1.00 24.45 H new ATOM 945 N GLY A 62 0.608 10.478 -27.006 1.00 52.33 N ATOM 946 CA GLY A 62 0.313 11.796 -26.469 1.00 21.20 C ATOM 947 C GLY A 62 0.125 11.740 -24.951 1.00 64.35 C ATOM 948 O GLY A 62 -0.439 12.657 -24.358 1.00 13.21 O ATOM 0 H GLY A 62 1.469 10.422 -27.550 1.00 52.33 H new ATOM 0 HA2 GLY A 62 1.124 12.482 -26.714 1.00 21.20 H new ATOM 0 HA3 GLY A 62 -0.590 12.190 -26.937 1.00 21.20 H new ATOM 952 N TYR A 63 0.610 10.654 -24.367 1.00 72.32 N ATOM 953 CA TYR A 63 0.502 10.466 -22.930 1.00 65.13 C ATOM 954 C TYR A 63 1.631 11.194 -22.196 1.00 75.04 C ATOM 955 O TYR A 63 2.543 11.727 -22.826 1.00 52.21 O ATOM 956 CB TYR A 63 0.642 8.961 -22.690 1.00 53.41 C ATOM 957 CG TYR A 63 0.929 8.588 -21.235 1.00 35.54 C ATOM 958 CD1 TYR A 63 2.229 8.552 -20.775 1.00 22.13 C ATOM 959 CD2 TYR A 63 -0.114 8.286 -20.381 1.00 64.13 C ATOM 960 CE1 TYR A 63 2.499 8.200 -19.405 1.00 1.03 C ATOM 961 CE2 TYR A 63 0.156 7.934 -19.011 1.00 43.03 C ATOM 962 CZ TYR A 63 1.449 7.908 -18.591 1.00 4.44 C ATOM 963 OH TYR A 63 1.704 7.576 -17.297 1.00 3.13 O ATOM 0 H TYR A 63 1.079 9.896 -24.863 1.00 72.32 H new ATOM 0 HA TYR A 63 -0.444 10.862 -22.561 1.00 65.13 H new ATOM 0 HB2 TYR A 63 -0.276 8.466 -23.007 1.00 53.41 H new ATOM 0 HB3 TYR A 63 1.445 8.576 -23.318 1.00 53.41 H new ATOM 0 HD1 TYR A 63 3.045 8.788 -21.443 1.00 22.13 H new ATOM 0 HD2 TYR A 63 -1.132 8.314 -20.741 1.00 64.13 H new ATOM 0 HE1 TYR A 63 3.512 8.169 -19.032 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -0.650 7.696 -18.333 1.00 43.03 H new ATOM 0 HH TYR A 63 0.860 7.394 -16.834 1.00 3.13 H new ATOM 973 N ALA A 64 1.531 11.193 -20.875 1.00 62.13 N ATOM 974 CA ALA A 64 2.532 11.847 -20.049 1.00 32.40 C ATOM 975 C ALA A 64 2.051 11.872 -18.597 1.00 35.21 C ATOM 976 O ALA A 64 0.849 11.919 -18.338 1.00 60.30 O ATOM 977 CB ALA A 64 2.809 13.248 -20.596 1.00 11.53 C ATOM 0 H ALA A 64 0.773 10.750 -20.356 1.00 62.13 H new ATOM 0 HA ALA A 64 3.472 11.295 -20.075 1.00 32.40 H new ATOM 0 HB1 ALA A 64 3.560 13.739 -19.977 1.00 11.53 H new ATOM 0 HB2 ALA A 64 3.176 13.173 -21.620 1.00 11.53 H new ATOM 0 HB3 ALA A 64 1.889 13.832 -20.582 1.00 11.53 H new ATOM 983 N PRO A 65 3.039 11.838 -17.663 1.00 52.42 N ATOM 984 CA PRO A 65 2.728 11.857 -16.244 1.00 25.11 C ATOM 985 C PRO A 65 2.303 13.256 -15.794 1.00 31.13 C ATOM 986 O PRO A 65 2.181 14.165 -16.613 1.00 42.30 O ATOM 987 CB PRO A 65 3.995 11.372 -15.558 1.00 21.22 C ATOM 988 CG PRO A 65 5.112 11.543 -16.575 1.00 12.32 C ATOM 989 CD PRO A 65 4.473 11.783 -17.933 1.00 34.41 C ATOM 0 HA PRO A 65 1.883 11.217 -15.990 1.00 25.11 H new ATOM 0 HB2 PRO A 65 4.196 11.950 -14.656 1.00 21.22 H new ATOM 0 HB3 PRO A 65 3.900 10.330 -15.254 1.00 21.22 H new ATOM 0 HG2 PRO A 65 5.753 12.381 -16.301 1.00 12.32 H new ATOM 0 HG3 PRO A 65 5.743 10.655 -16.602 1.00 12.32 H new ATOM 0 HD2 PRO A 65 4.828 12.712 -18.379 1.00 34.41 H new ATOM 0 HD3 PRO A 65 4.714 10.982 -18.631 1.00 34.41 H new