USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 505 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 -138:sc= -1.69 USER MOD Set 1.2: A 21 MET CE :methyl -159:sc= -2.25! (180deg=-2.73!) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0928 F(o=-0.77,f=-0.093) USER MOD Single : A 4 SER OG : rot -94:sc= -0.401 USER MOD Single : A 9 GLN : amide:sc= -2.64! C(o=-2.6!,f=-2.8!) USER MOD Single : A 14 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.5) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.98 USER MOD Single : A 22 MET CE :methyl -147:sc= -1.81 (180deg=-2.46) USER MOD Single : A 23 THR OG1 : rot 45:sc= 0.398! USER MOD Single : A 24 THR OG1 : rot -179:sc= 0.0175 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -139:sc= -4.12 (180deg=-8.87!) USER MOD Single : A 44 GLN : amide:sc=-0.00682 X(o=-0.0068,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.44! C(o=-4.4!,f=-4.6!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.971 F(o=-2.3!,f=-0.97) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 104:sc= 0.0271 USER MOD Single : A 54 THR OG1 : rot 159:sc= -5.16! USER MOD Single : A 56 MET CE :methyl -154:sc= -1.73 (180deg=-3.42!) USER MOD Single : A 59 MET CE :methyl -120:sc= -6.26! (180deg=-6.95!) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0689) USER MOD Single : A 63 TYR OH : rot 146:sc= 0.285 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.442 -1.066 -5.260 1.00 74.52 N ATOM 33 CA GLN A 2 -2.014 -0.140 -6.223 1.00 31.04 C ATOM 34 C GLN A 2 -3.513 -0.402 -6.386 1.00 3.44 C ATOM 35 O GLN A 2 -3.912 -1.450 -6.889 1.00 32.42 O ATOM 36 CB GLN A 2 -1.292 -0.232 -7.568 1.00 61.22 C ATOM 37 CG GLN A 2 -2.107 0.440 -8.675 1.00 44.20 C ATOM 38 CD GLN A 2 -2.226 1.946 -8.430 1.00 60.23 C ATOM 39 OE1 GLN A 2 -3.478 2.374 -8.293 1.00 74.34 O flip ATOM 40 NE2 GLN A 2 -1.246 2.671 -8.370 1.00 24.02 N flip ATOM 0 HA GLN A 2 -1.881 0.874 -5.846 1.00 31.04 H new ATOM 0 HB2 GLN A 2 -0.314 0.242 -7.493 1.00 61.22 H new ATOM 0 HB3 GLN A 2 -1.120 -1.278 -7.822 1.00 61.22 H new ATOM 0 HG2 GLN A 2 -1.633 0.261 -9.640 1.00 44.20 H new ATOM 0 HG3 GLN A 2 -3.101 -0.004 -8.721 1.00 44.20 H new ATOM 0 HE21 GLN A 2 -0.312 2.277 -8.484 1.00 24.02 H new ATOM 0 HE22 GLN A 2 -1.361 3.671 -8.206 1.00 24.02 H new ATOM 49 N GLU A 3 -4.301 0.570 -5.951 1.00 13.15 N ATOM 50 CA GLU A 3 -5.747 0.458 -6.042 1.00 12.11 C ATOM 51 C GLU A 3 -6.226 0.882 -7.432 1.00 4.31 C ATOM 52 O GLU A 3 -6.117 2.051 -7.800 1.00 22.11 O ATOM 53 CB GLU A 3 -6.431 1.284 -4.951 1.00 12.21 C ATOM 54 CG GLU A 3 -6.852 0.399 -3.776 1.00 3.54 C ATOM 55 CD GLU A 3 -7.930 1.083 -2.933 1.00 1.53 C ATOM 56 OE1 GLU A 3 -8.532 0.443 -2.058 1.00 5.34 O ATOM 57 OE2 GLU A 3 -8.134 2.326 -3.212 1.00 41.14 O ATOM 0 H GLU A 3 -3.966 1.439 -5.535 1.00 13.15 H new ATOM 0 HA GLU A 3 -6.021 -0.586 -5.887 1.00 12.11 H new ATOM 0 HB2 GLU A 3 -5.753 2.062 -4.600 1.00 12.21 H new ATOM 0 HB3 GLU A 3 -7.306 1.786 -5.365 1.00 12.21 H new ATOM 0 HG2 GLU A 3 -7.228 -0.553 -4.150 1.00 3.54 H new ATOM 0 HG3 GLU A 3 -5.985 0.178 -3.154 1.00 3.54 H new ATOM 65 N SER A 4 -6.745 -0.090 -8.166 1.00 72.43 N ATOM 66 CA SER A 4 -7.241 0.168 -9.508 1.00 24.43 C ATOM 67 C SER A 4 -8.768 0.260 -9.493 1.00 22.33 C ATOM 68 O SER A 4 -9.421 -0.339 -8.639 1.00 51.25 O ATOM 69 CB SER A 4 -6.784 -0.920 -10.482 1.00 50.01 C ATOM 70 OG SER A 4 -5.382 -1.160 -10.396 1.00 1.51 O ATOM 0 H SER A 4 -6.833 -1.058 -7.858 1.00 72.43 H new ATOM 0 HA SER A 4 -6.830 1.119 -9.848 1.00 24.43 H new ATOM 0 HB2 SER A 4 -7.323 -1.844 -10.272 1.00 50.01 H new ATOM 0 HB3 SER A 4 -7.040 -0.626 -11.500 1.00 50.01 H new ATOM 0 HG SER A 4 -4.916 -0.621 -11.069 1.00 1.51 H new ATOM 76 N VAL A 5 -9.293 1.014 -10.447 1.00 45.21 N ATOM 77 CA VAL A 5 -10.731 1.192 -10.554 1.00 44.44 C ATOM 78 C VAL A 5 -11.393 -0.167 -10.785 1.00 21.43 C ATOM 79 O VAL A 5 -10.881 -0.991 -11.541 1.00 25.44 O ATOM 80 CB VAL A 5 -11.052 2.207 -11.653 1.00 45.54 C ATOM 81 CG1 VAL A 5 -12.556 2.266 -11.924 1.00 33.44 C ATOM 82 CG2 VAL A 5 -10.504 3.591 -11.298 1.00 51.43 C ATOM 0 H VAL A 5 -8.748 1.509 -11.153 1.00 45.21 H new ATOM 0 HA VAL A 5 -11.135 1.597 -9.627 1.00 44.44 H new ATOM 0 HB VAL A 5 -10.560 1.876 -12.568 1.00 45.54 H new ATOM 0 HG11 VAL A 5 -12.756 2.995 -12.709 1.00 33.44 H new ATOM 0 HG12 VAL A 5 -12.907 1.284 -12.242 1.00 33.44 H new ATOM 0 HG13 VAL A 5 -13.078 2.561 -11.014 1.00 33.44 H new ATOM 0 HG21 VAL A 5 -10.746 4.294 -12.096 1.00 51.43 H new ATOM 0 HG22 VAL A 5 -10.953 3.932 -10.365 1.00 51.43 H new ATOM 0 HG23 VAL A 5 -9.422 3.535 -11.180 1.00 51.43 H new ATOM 92 N VAL A 6 -12.522 -0.360 -10.119 1.00 31.21 N ATOM 93 CA VAL A 6 -13.260 -1.606 -10.241 1.00 42.05 C ATOM 94 C VAL A 6 -14.753 -1.299 -10.376 1.00 4.42 C ATOM 95 O VAL A 6 -15.312 -0.556 -9.570 1.00 50.05 O ATOM 96 CB VAL A 6 -12.942 -2.521 -9.057 1.00 71.01 C ATOM 97 CG1 VAL A 6 -13.681 -3.855 -9.181 1.00 15.31 C ATOM 98 CG2 VAL A 6 -11.434 -2.740 -8.923 1.00 21.40 C ATOM 0 H VAL A 6 -12.944 0.326 -9.493 1.00 31.21 H new ATOM 0 HA VAL A 6 -12.956 -2.143 -11.140 1.00 42.05 H new ATOM 0 HB VAL A 6 -13.291 -2.028 -8.150 1.00 71.01 H new ATOM 0 HG11 VAL A 6 -13.437 -4.487 -8.327 1.00 15.31 H new ATOM 0 HG12 VAL A 6 -14.756 -3.675 -9.204 1.00 15.31 H new ATOM 0 HG13 VAL A 6 -13.377 -4.355 -10.100 1.00 15.31 H new ATOM 0 HG21 VAL A 6 -11.235 -3.394 -8.074 1.00 21.40 H new ATOM 0 HG22 VAL A 6 -11.051 -3.201 -9.833 1.00 21.40 H new ATOM 0 HG23 VAL A 6 -10.940 -1.781 -8.766 1.00 21.40 H new ATOM 108 N ALA A 7 -15.355 -1.885 -11.400 1.00 32.35 N ATOM 109 CA ALA A 7 -16.772 -1.683 -11.650 1.00 32.43 C ATOM 110 C ALA A 7 -17.553 -1.925 -10.357 1.00 14.35 C ATOM 111 O ALA A 7 -17.715 -3.066 -9.929 1.00 30.54 O ATOM 112 CB ALA A 7 -17.226 -2.603 -12.785 1.00 53.34 C ATOM 0 H ALA A 7 -14.888 -2.500 -12.066 1.00 32.35 H new ATOM 0 HA ALA A 7 -16.964 -0.657 -11.964 1.00 32.43 H new ATOM 0 HB1 ALA A 7 -18.289 -2.452 -12.973 1.00 53.34 H new ATOM 0 HB2 ALA A 7 -16.661 -2.372 -13.688 1.00 53.34 H new ATOM 0 HB3 ALA A 7 -17.051 -3.641 -12.504 1.00 53.34 H new ATOM 118 N ALA A 8 -18.017 -0.831 -9.770 1.00 54.13 N ATOM 119 CA ALA A 8 -18.778 -0.909 -8.535 1.00 22.24 C ATOM 120 C ALA A 8 -20.073 -1.685 -8.786 1.00 4.41 C ATOM 121 O ALA A 8 -20.630 -2.283 -7.867 1.00 53.21 O ATOM 122 CB ALA A 8 -19.037 0.502 -8.004 1.00 51.42 C ATOM 0 H ALA A 8 -17.880 0.114 -10.127 1.00 54.13 H new ATOM 0 HA ALA A 8 -18.215 -1.446 -7.771 1.00 22.24 H new ATOM 0 HB1 ALA A 8 -19.608 0.443 -7.077 1.00 51.42 H new ATOM 0 HB2 ALA A 8 -18.086 0.999 -7.813 1.00 51.42 H new ATOM 0 HB3 ALA A 8 -19.602 1.071 -8.743 1.00 51.42 H new ATOM 128 N GLN A 9 -20.513 -1.649 -10.035 1.00 31.01 N ATOM 129 CA GLN A 9 -21.732 -2.341 -10.419 1.00 22.04 C ATOM 130 C GLN A 9 -21.735 -2.616 -11.924 1.00 3.23 C ATOM 131 O GLN A 9 -20.815 -2.213 -12.634 1.00 3.33 O ATOM 132 CB GLN A 9 -22.969 -1.542 -10.005 1.00 33.43 C ATOM 133 CG GLN A 9 -22.802 -0.059 -10.341 1.00 34.12 C ATOM 134 CD GLN A 9 -24.143 0.675 -10.264 1.00 23.22 C ATOM 135 OE1 GLN A 9 -24.986 0.575 -11.140 1.00 44.23 O ATOM 136 NE2 GLN A 9 -24.292 1.415 -9.169 1.00 50.21 N ATOM 0 H GLN A 9 -20.048 -1.152 -10.794 1.00 31.01 H new ATOM 0 HA GLN A 9 -21.765 -3.296 -9.895 1.00 22.04 H new ATOM 0 HB2 GLN A 9 -23.848 -1.937 -10.514 1.00 33.43 H new ATOM 0 HB3 GLN A 9 -23.140 -1.659 -8.935 1.00 33.43 H new ATOM 0 HG2 GLN A 9 -22.094 0.397 -9.649 1.00 34.12 H new ATOM 0 HG3 GLN A 9 -22.383 0.046 -11.342 1.00 34.12 H new ATOM 0 HE21 GLN A 9 -23.546 1.454 -8.475 1.00 50.21 H new ATOM 0 HE22 GLN A 9 -25.152 1.943 -9.024 1.00 50.21 H new ATOM 145 N LEU A 10 -22.780 -3.300 -12.366 1.00 25.10 N ATOM 146 CA LEU A 10 -22.914 -3.633 -13.774 1.00 33.51 C ATOM 147 C LEU A 10 -22.879 -2.348 -14.603 1.00 73.34 C ATOM 148 O LEU A 10 -23.729 -1.474 -14.437 1.00 25.33 O ATOM 149 CB LEU A 10 -24.166 -4.481 -14.006 1.00 74.52 C ATOM 150 CG LEU A 10 -24.446 -4.881 -15.456 1.00 55.24 C ATOM 151 CD1 LEU A 10 -23.700 -6.164 -15.826 1.00 31.24 C ATOM 152 CD2 LEU A 10 -25.950 -4.999 -15.712 1.00 53.40 C ATOM 0 H LEU A 10 -23.541 -3.633 -11.774 1.00 25.10 H new ATOM 0 HA LEU A 10 -22.075 -4.247 -14.102 1.00 33.51 H new ATOM 0 HB2 LEU A 10 -24.081 -5.389 -13.409 1.00 74.52 H new ATOM 0 HB3 LEU A 10 -25.028 -3.931 -13.629 1.00 74.52 H new ATOM 0 HG LEU A 10 -24.069 -4.091 -16.106 1.00 55.24 H new ATOM 0 HD11 LEU A 10 -23.917 -6.425 -16.862 1.00 31.24 H new ATOM 0 HD12 LEU A 10 -22.628 -6.008 -15.708 1.00 31.24 H new ATOM 0 HD13 LEU A 10 -24.023 -6.974 -15.172 1.00 31.24 H new ATOM 0 HD21 LEU A 10 -26.121 -5.284 -16.750 1.00 53.40 H new ATOM 0 HD22 LEU A 10 -26.373 -5.757 -15.053 1.00 53.40 H new ATOM 0 HD23 LEU A 10 -26.429 -4.040 -15.516 1.00 53.40 H new ATOM 164 N ILE A 11 -21.888 -2.274 -15.479 1.00 71.24 N ATOM 165 CA ILE A 11 -21.731 -1.111 -16.335 1.00 52.54 C ATOM 166 C ILE A 11 -21.814 -1.545 -17.800 1.00 30.20 C ATOM 167 O ILE A 11 -20.903 -2.195 -18.311 1.00 10.21 O ATOM 168 CB ILE A 11 -20.444 -0.360 -15.988 1.00 41.15 C ATOM 169 CG1 ILE A 11 -20.466 0.125 -14.537 1.00 61.24 C ATOM 170 CG2 ILE A 11 -20.195 0.786 -16.972 1.00 34.33 C ATOM 171 CD1 ILE A 11 -19.069 0.063 -13.917 1.00 64.43 C ATOM 0 H ILE A 11 -21.186 -3.001 -15.614 1.00 71.24 H new ATOM 0 HA ILE A 11 -22.542 -0.402 -16.166 1.00 52.54 H new ATOM 0 HB ILE A 11 -19.608 -1.053 -16.083 1.00 41.15 H new ATOM 0 HG12 ILE A 11 -20.840 1.148 -14.497 1.00 61.24 H new ATOM 0 HG13 ILE A 11 -21.154 -0.489 -13.955 1.00 61.24 H new ATOM 0 HG21 ILE A 11 -19.274 1.303 -16.703 1.00 34.33 H new ATOM 0 HG22 ILE A 11 -20.104 0.385 -17.982 1.00 34.33 H new ATOM 0 HG23 ILE A 11 -21.029 1.486 -16.933 1.00 34.33 H new ATOM 0 HD11 ILE A 11 -19.113 0.413 -12.886 1.00 64.43 H new ATOM 0 HD12 ILE A 11 -18.708 -0.965 -13.936 1.00 64.43 H new ATOM 0 HD13 ILE A 11 -18.390 0.697 -14.487 1.00 64.43 H new ATOM 183 N PRO A 12 -22.944 -1.159 -18.451 1.00 61.30 N ATOM 184 CA PRO A 12 -23.158 -1.502 -19.847 1.00 24.23 C ATOM 185 C PRO A 12 -22.292 -0.635 -20.763 1.00 61.11 C ATOM 186 O PRO A 12 -21.668 0.323 -20.310 1.00 0.04 O ATOM 187 CB PRO A 12 -24.647 -1.306 -20.076 1.00 52.14 C ATOM 188 CG PRO A 12 -25.131 -0.421 -18.940 1.00 12.54 C ATOM 189 CD PRO A 12 -24.044 -0.389 -17.878 1.00 20.21 C ATOM 0 HA PRO A 12 -22.865 -2.526 -20.079 1.00 24.23 H new ATOM 0 HB2 PRO A 12 -24.835 -0.838 -21.042 1.00 52.14 H new ATOM 0 HB3 PRO A 12 -25.171 -2.262 -20.077 1.00 52.14 H new ATOM 0 HG2 PRO A 12 -25.340 0.585 -19.303 1.00 12.54 H new ATOM 0 HG3 PRO A 12 -26.060 -0.809 -18.523 1.00 12.54 H new ATOM 0 HD2 PRO A 12 -23.738 0.633 -17.655 1.00 20.21 H new ATOM 0 HD3 PRO A 12 -24.391 -0.829 -16.943 1.00 20.21 H new ATOM 197 N ILE A 13 -22.282 -1.002 -22.036 1.00 61.40 N ATOM 198 CA ILE A 13 -21.503 -0.270 -23.020 1.00 73.02 C ATOM 199 C ILE A 13 -22.183 1.071 -23.307 1.00 24.43 C ATOM 200 O ILE A 13 -23.407 1.142 -23.404 1.00 3.14 O ATOM 201 CB ILE A 13 -21.278 -1.125 -24.269 1.00 52.32 C ATOM 202 CG1 ILE A 13 -20.354 -0.414 -25.261 1.00 33.35 C ATOM 203 CG2 ILE A 13 -22.610 -1.521 -24.910 1.00 11.13 C ATOM 204 CD1 ILE A 13 -20.460 -1.039 -26.653 1.00 55.32 C ATOM 0 H ILE A 13 -22.801 -1.797 -22.409 1.00 61.40 H new ATOM 0 HA ILE A 13 -20.509 -0.048 -22.631 1.00 73.02 H new ATOM 0 HB ILE A 13 -20.779 -2.046 -23.967 1.00 52.32 H new ATOM 0 HG12 ILE A 13 -20.614 0.643 -25.312 1.00 33.35 H new ATOM 0 HG13 ILE A 13 -19.324 -0.472 -24.910 1.00 33.35 H new ATOM 0 HG21 ILE A 13 -22.421 -2.128 -25.795 1.00 11.13 H new ATOM 0 HG22 ILE A 13 -23.201 -2.095 -24.196 1.00 11.13 H new ATOM 0 HG23 ILE A 13 -23.158 -0.623 -25.196 1.00 11.13 H new ATOM 0 HD11 ILE A 13 -19.794 -0.515 -27.339 1.00 55.32 H new ATOM 0 HD12 ILE A 13 -20.176 -2.090 -26.602 1.00 55.32 H new ATOM 0 HD13 ILE A 13 -21.486 -0.957 -27.011 1.00 55.32 H new ATOM 216 N ASN A 14 -21.358 2.100 -23.434 1.00 53.10 N ATOM 217 CA ASN A 14 -21.864 3.434 -23.707 1.00 52.54 C ATOM 218 C ASN A 14 -22.598 3.960 -22.472 1.00 1.11 C ATOM 219 O ASN A 14 -23.555 4.723 -22.592 1.00 11.22 O ATOM 220 CB ASN A 14 -22.854 3.420 -24.874 1.00 43.12 C ATOM 221 CG ASN A 14 -22.351 2.524 -26.008 1.00 34.21 C ATOM 222 OD1 ASN A 14 -21.267 2.699 -26.538 1.00 62.14 O ATOM 223 ND2 ASN A 14 -23.198 1.557 -26.349 1.00 34.34 N ATOM 0 H ASN A 14 -20.343 2.037 -23.353 1.00 53.10 H new ATOM 0 HA ASN A 14 -21.016 4.070 -23.960 1.00 52.54 H new ATOM 0 HB2 ASN A 14 -23.825 3.065 -24.528 1.00 43.12 H new ATOM 0 HB3 ASN A 14 -23.000 4.435 -25.245 1.00 43.12 H new ATOM 0 HD21 ASN A 14 -22.955 0.906 -27.096 1.00 34.34 H new ATOM 0 HD22 ASN A 14 -24.091 1.466 -25.864 1.00 34.34 H new ATOM 230 N THR A 15 -22.121 3.531 -21.313 1.00 20.23 N ATOM 231 CA THR A 15 -22.720 3.949 -20.056 1.00 64.43 C ATOM 232 C THR A 15 -21.817 4.958 -19.345 1.00 45.31 C ATOM 233 O THR A 15 -20.733 4.608 -18.880 1.00 71.21 O ATOM 234 CB THR A 15 -23.000 2.694 -19.226 1.00 55.44 C ATOM 235 OG1 THR A 15 -23.746 1.856 -20.105 1.00 44.23 O ATOM 236 CG2 THR A 15 -23.960 2.963 -18.065 1.00 51.43 C ATOM 0 H THR A 15 -21.327 2.898 -21.217 1.00 20.23 H new ATOM 0 HA THR A 15 -23.666 4.466 -20.221 1.00 64.43 H new ATOM 0 HB THR A 15 -22.061 2.298 -18.838 1.00 55.44 H new ATOM 0 HG1 THR A 15 -24.572 2.312 -20.370 1.00 44.23 H new ATOM 0 HG21 THR A 15 -24.125 2.041 -17.508 1.00 51.43 H new ATOM 0 HG22 THR A 15 -23.529 3.714 -17.403 1.00 51.43 H new ATOM 0 HG23 THR A 15 -24.911 3.326 -18.456 1.00 51.43 H new ATOM 244 N ALA A 16 -22.296 6.192 -19.283 1.00 32.32 N ATOM 245 CA ALA A 16 -21.546 7.255 -18.636 1.00 62.21 C ATOM 246 C ALA A 16 -21.155 6.812 -17.225 1.00 31.42 C ATOM 247 O ALA A 16 -22.008 6.709 -16.344 1.00 43.51 O ATOM 248 CB ALA A 16 -22.377 8.539 -18.635 1.00 34.03 C ATOM 0 H ALA A 16 -23.195 6.479 -19.670 1.00 32.32 H new ATOM 0 HA ALA A 16 -20.626 7.463 -19.183 1.00 62.21 H new ATOM 0 HB1 ALA A 16 -21.814 9.336 -18.150 1.00 34.03 H new ATOM 0 HB2 ALA A 16 -22.603 8.827 -19.662 1.00 34.03 H new ATOM 0 HB3 ALA A 16 -23.307 8.370 -18.093 1.00 34.03 H new ATOM 254 N LEU A 17 -19.866 6.560 -17.054 1.00 4.23 N ATOM 255 CA LEU A 17 -19.352 6.130 -15.764 1.00 44.34 C ATOM 256 C LEU A 17 -19.763 7.142 -14.693 1.00 45.51 C ATOM 257 O LEU A 17 -19.901 8.331 -14.978 1.00 0.13 O ATOM 258 CB LEU A 17 -17.842 5.895 -15.841 1.00 63.20 C ATOM 259 CG LEU A 17 -17.386 4.757 -16.757 1.00 41.54 C ATOM 260 CD1 LEU A 17 -15.884 4.844 -17.033 1.00 43.44 C ATOM 261 CD2 LEU A 17 -17.785 3.397 -16.183 1.00 34.11 C ATOM 0 H LEU A 17 -19.162 6.645 -17.787 1.00 4.23 H new ATOM 0 HA LEU A 17 -19.787 5.171 -15.481 1.00 44.34 H new ATOM 0 HB2 LEU A 17 -17.367 6.817 -16.176 1.00 63.20 H new ATOM 0 HB3 LEU A 17 -17.474 5.695 -14.835 1.00 63.20 H new ATOM 0 HG LEU A 17 -17.896 4.864 -17.714 1.00 41.54 H new ATOM 0 HD11 LEU A 17 -15.586 4.024 -17.686 1.00 43.44 H new ATOM 0 HD12 LEU A 17 -15.657 5.794 -17.517 1.00 43.44 H new ATOM 0 HD13 LEU A 17 -15.337 4.776 -16.093 1.00 43.44 H new ATOM 0 HD21 LEU A 17 -17.449 2.606 -16.854 1.00 34.11 H new ATOM 0 HD22 LEU A 17 -17.322 3.265 -15.205 1.00 34.11 H new ATOM 0 HD23 LEU A 17 -18.869 3.349 -16.080 1.00 34.11 H new ATOM 273 N THR A 18 -19.946 6.634 -13.483 1.00 40.15 N ATOM 274 CA THR A 18 -20.338 7.479 -12.368 1.00 73.13 C ATOM 275 C THR A 18 -19.648 7.019 -11.082 1.00 53.25 C ATOM 276 O THR A 18 -19.160 5.893 -11.004 1.00 42.14 O ATOM 277 CB THR A 18 -21.866 7.463 -12.277 1.00 65.04 C ATOM 278 OG1 THR A 18 -22.200 6.078 -12.305 1.00 55.21 O ATOM 279 CG2 THR A 18 -22.533 8.033 -13.531 1.00 23.21 C ATOM 0 H THR A 18 -19.830 5.648 -13.250 1.00 40.15 H new ATOM 0 HA THR A 18 -20.018 8.510 -12.521 1.00 73.13 H new ATOM 0 HB THR A 18 -22.184 8.035 -11.405 1.00 65.04 H new ATOM 0 HG1 THR A 18 -22.981 5.941 -12.881 1.00 55.21 H new ATOM 0 HG21 THR A 18 -23.616 7.998 -13.415 1.00 23.21 H new ATOM 0 HG22 THR A 18 -22.216 9.066 -13.674 1.00 23.21 H new ATOM 0 HG23 THR A 18 -22.242 7.441 -14.399 1.00 23.21 H new ATOM 287 N LEU A 19 -19.630 7.914 -10.106 1.00 13.41 N ATOM 288 CA LEU A 19 -19.008 7.615 -8.827 1.00 72.14 C ATOM 289 C LEU A 19 -19.803 6.513 -8.124 1.00 71.32 C ATOM 290 O LEU A 19 -19.337 5.936 -7.143 1.00 1.01 O ATOM 291 CB LEU A 19 -18.855 8.889 -7.995 1.00 4.14 C ATOM 292 CG LEU A 19 -17.877 8.809 -6.820 1.00 53.11 C ATOM 293 CD1 LEU A 19 -16.552 8.179 -7.252 1.00 3.11 C ATOM 294 CD2 LEU A 19 -17.677 10.184 -6.179 1.00 62.30 C ATOM 0 H LEU A 19 -20.036 8.847 -10.175 1.00 13.41 H new ATOM 0 HA LEU A 19 -17.997 7.235 -8.974 1.00 72.14 H new ATOM 0 HB2 LEU A 19 -18.534 9.694 -8.656 1.00 4.14 H new ATOM 0 HB3 LEU A 19 -19.835 9.166 -7.608 1.00 4.14 H new ATOM 0 HG LEU A 19 -18.309 8.159 -6.059 1.00 53.11 H new ATOM 0 HD11 LEU A 19 -15.875 8.134 -6.399 1.00 3.11 H new ATOM 0 HD12 LEU A 19 -16.733 7.171 -7.625 1.00 3.11 H new ATOM 0 HD13 LEU A 19 -16.102 8.782 -8.040 1.00 3.11 H new ATOM 0 HD21 LEU A 19 -16.978 10.099 -5.347 1.00 62.30 H new ATOM 0 HD22 LEU A 19 -17.277 10.876 -6.920 1.00 62.30 H new ATOM 0 HD23 LEU A 19 -18.633 10.557 -5.813 1.00 62.30 H new ATOM 306 N VAL A 20 -20.990 6.253 -8.654 1.00 5.33 N ATOM 307 CA VAL A 20 -21.854 5.230 -8.089 1.00 44.52 C ATOM 308 C VAL A 20 -21.720 3.946 -8.910 1.00 53.32 C ATOM 309 O VAL A 20 -22.380 2.949 -8.621 1.00 50.20 O ATOM 310 CB VAL A 20 -23.293 5.745 -8.013 1.00 24.20 C ATOM 311 CG1 VAL A 20 -23.331 7.197 -7.535 1.00 0.55 C ATOM 312 CG2 VAL A 20 -24.001 5.592 -9.360 1.00 54.12 C ATOM 0 H VAL A 20 -21.373 6.733 -9.468 1.00 5.33 H new ATOM 0 HA VAL A 20 -21.553 4.995 -7.068 1.00 44.52 H new ATOM 0 HB VAL A 20 -23.828 5.138 -7.282 1.00 24.20 H new ATOM 0 HG11 VAL A 20 -24.365 7.538 -7.490 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -22.883 7.266 -6.544 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -22.772 7.824 -8.230 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -25.022 5.965 -9.279 1.00 54.12 H new ATOM 0 HG22 VAL A 20 -23.465 6.162 -10.119 1.00 54.12 H new ATOM 0 HG23 VAL A 20 -24.021 4.540 -9.643 1.00 54.12 H new ATOM 322 N MET A 21 -20.863 4.012 -9.918 1.00 4.43 N ATOM 323 CA MET A 21 -20.634 2.867 -10.783 1.00 14.33 C ATOM 324 C MET A 21 -19.146 2.518 -10.849 1.00 32.14 C ATOM 325 O MET A 21 -18.732 1.702 -11.671 1.00 53.42 O ATOM 326 CB MET A 21 -21.149 3.179 -12.189 1.00 45.44 C ATOM 327 CG MET A 21 -22.677 3.137 -12.236 1.00 73.34 C ATOM 328 SD MET A 21 -23.226 2.737 -13.887 1.00 73.21 S ATOM 329 CE MET A 21 -22.114 3.758 -14.840 1.00 31.45 C ATOM 0 H MET A 21 -20.318 4.841 -10.155 1.00 4.43 H new ATOM 0 HA MET A 21 -21.170 2.011 -10.372 1.00 14.33 H new ATOM 0 HB2 MET A 21 -20.799 4.164 -12.498 1.00 45.44 H new ATOM 0 HB3 MET A 21 -20.740 2.459 -12.898 1.00 45.44 H new ATOM 0 HG2 MET A 21 -23.051 2.395 -11.530 1.00 73.34 H new ATOM 0 HG3 MET A 21 -23.085 4.101 -11.932 1.00 73.34 H new ATOM 0 HE1 MET A 21 -22.535 3.928 -15.831 1.00 31.45 H new ATOM 0 HE2 MET A 21 -21.976 4.714 -14.336 1.00 31.45 H new ATOM 0 HE3 MET A 21 -21.151 3.256 -14.936 1.00 31.45 H new ATOM 339 N MET A 22 -18.383 3.152 -9.971 1.00 43.43 N ATOM 340 CA MET A 22 -16.949 2.919 -9.920 1.00 34.14 C ATOM 341 C MET A 22 -16.453 2.874 -8.473 1.00 40.40 C ATOM 342 O MET A 22 -17.082 3.439 -7.579 1.00 73.44 O ATOM 343 CB MET A 22 -16.223 4.034 -10.675 1.00 22.52 C ATOM 344 CG MET A 22 -16.421 3.891 -12.185 1.00 43.54 C ATOM 345 SD MET A 22 -15.349 5.026 -13.051 1.00 2.42 S ATOM 346 CE MET A 22 -16.121 6.576 -12.615 1.00 72.42 C ATOM 0 H MET A 22 -18.730 3.827 -9.289 1.00 43.43 H new ATOM 0 HA MET A 22 -16.739 1.957 -10.387 1.00 34.14 H new ATOM 0 HB2 MET A 22 -16.596 5.004 -10.346 1.00 22.52 H new ATOM 0 HB3 MET A 22 -15.159 4.005 -10.440 1.00 22.52 H new ATOM 0 HG2 MET A 22 -16.206 2.868 -12.493 1.00 43.54 H new ATOM 0 HG3 MET A 22 -17.461 4.090 -12.444 1.00 43.54 H new ATOM 0 HE1 MET A 22 -16.015 7.280 -13.440 1.00 72.42 H new ATOM 0 HE2 MET A 22 -17.179 6.411 -12.413 1.00 72.42 H new ATOM 0 HE3 MET A 22 -15.641 6.984 -11.726 1.00 72.42 H new ATOM 356 N THR A 23 -15.329 2.198 -8.287 1.00 42.44 N ATOM 357 CA THR A 23 -14.741 2.073 -6.965 1.00 24.14 C ATOM 358 C THR A 23 -13.271 1.661 -7.071 1.00 40.34 C ATOM 359 O THR A 23 -12.684 1.717 -8.151 1.00 4.53 O ATOM 360 CB THR A 23 -15.591 1.087 -6.161 1.00 2.22 C ATOM 361 OG1 THR A 23 -14.985 1.077 -4.871 1.00 42.31 O ATOM 362 CG2 THR A 23 -15.441 -0.353 -6.654 1.00 22.40 C ATOM 0 H THR A 23 -14.810 1.731 -9.030 1.00 42.44 H new ATOM 0 HA THR A 23 -14.741 3.029 -6.441 1.00 24.14 H new ATOM 0 HB THR A 23 -16.639 1.382 -6.217 1.00 2.22 H new ATOM 0 HG1 THR A 23 -14.791 1.997 -4.594 1.00 42.31 H new ATOM 0 HG21 THR A 23 -16.065 -1.011 -6.050 1.00 22.40 H new ATOM 0 HG22 THR A 23 -15.752 -0.415 -7.697 1.00 22.40 H new ATOM 0 HG23 THR A 23 -14.399 -0.661 -6.567 1.00 22.40 H new ATOM 370 N THR A 24 -12.719 1.257 -5.937 1.00 30.22 N ATOM 371 CA THR A 24 -11.329 0.836 -5.889 1.00 71.01 C ATOM 372 C THR A 24 -11.212 -0.545 -5.242 1.00 31.41 C ATOM 373 O THR A 24 -12.045 -0.921 -4.418 1.00 63.52 O ATOM 374 CB THR A 24 -10.532 1.919 -5.159 1.00 31.43 C ATOM 375 OG1 THR A 24 -10.916 1.772 -3.794 1.00 73.34 O ATOM 376 CG2 THR A 24 -10.991 3.331 -5.525 1.00 55.41 C ATOM 0 H THR A 24 -13.209 1.212 -5.044 1.00 30.22 H new ATOM 0 HA THR A 24 -10.914 0.727 -6.891 1.00 71.01 H new ATOM 0 HB THR A 24 -9.473 1.810 -5.393 1.00 31.43 H new ATOM 0 HG1 THR A 24 -10.456 2.446 -3.251 1.00 73.34 H new ATOM 0 HG21 THR A 24 -10.393 4.061 -4.979 1.00 55.41 H new ATOM 0 HG22 THR A 24 -10.866 3.488 -6.596 1.00 55.41 H new ATOM 0 HG23 THR A 24 -12.041 3.452 -5.260 1.00 55.41 H new ATOM 384 N ARG A 25 -10.172 -1.263 -5.639 1.00 60.51 N ATOM 385 CA ARG A 25 -9.935 -2.595 -5.108 1.00 72.10 C ATOM 386 C ARG A 25 -8.680 -3.202 -5.738 1.00 21.33 C ATOM 387 O ARG A 25 -8.448 -3.052 -6.936 1.00 63.32 O ATOM 388 CB ARG A 25 -11.128 -3.515 -5.376 1.00 61.12 C ATOM 389 CG ARG A 25 -11.375 -4.452 -4.192 1.00 64.43 C ATOM 390 CD ARG A 25 -10.712 -5.812 -4.422 1.00 65.01 C ATOM 391 NE ARG A 25 -11.399 -6.852 -3.624 1.00 40.40 N ATOM 392 CZ ARG A 25 -10.817 -7.998 -3.212 1.00 3.32 C ATOM 393 NH1 ARG A 25 -9.529 -8.261 -3.520 1.00 21.23 N ATOM 394 NH2 ARG A 25 -11.525 -8.857 -2.503 1.00 54.14 N ATOM 0 H ARG A 25 -9.484 -0.948 -6.322 1.00 60.51 H new ATOM 0 HA ARG A 25 -9.797 -2.503 -4.031 1.00 72.10 H new ATOM 0 HB2 ARG A 25 -12.019 -2.916 -5.562 1.00 61.12 H new ATOM 0 HB3 ARG A 25 -10.944 -4.101 -6.276 1.00 61.12 H new ATOM 0 HG2 ARG A 25 -10.983 -4.002 -3.280 1.00 64.43 H new ATOM 0 HG3 ARG A 25 -12.447 -4.586 -4.047 1.00 64.43 H new ATOM 0 HD2 ARG A 25 -10.750 -6.070 -5.480 1.00 65.01 H new ATOM 0 HD3 ARG A 25 -9.659 -5.764 -4.143 1.00 65.01 H new ATOM 0 HE ARG A 25 -12.374 -6.693 -3.369 1.00 40.40 H new ATOM 0 HH11 ARG A 25 -8.989 -7.591 -4.068 1.00 21.23 H new ATOM 0 HH12 ARG A 25 -9.096 -9.129 -3.205 1.00 21.23 H new ATOM 0 HH21 ARG A 25 -12.497 -8.650 -2.274 1.00 54.14 H new ATOM 0 HH22 ARG A 25 -11.100 -9.728 -2.184 1.00 54.14 H new ATOM 407 N VAL A 26 -7.903 -3.875 -4.901 1.00 73.12 N ATOM 408 CA VAL A 26 -6.678 -4.505 -5.361 1.00 65.50 C ATOM 409 C VAL A 26 -7.026 -5.735 -6.202 1.00 60.12 C ATOM 410 O VAL A 26 -7.200 -6.829 -5.667 1.00 14.31 O ATOM 411 CB VAL A 26 -5.778 -4.833 -4.167 1.00 61.05 C ATOM 412 CG1 VAL A 26 -4.337 -5.080 -4.618 1.00 41.55 C ATOM 413 CG2 VAL A 26 -5.841 -3.726 -3.113 1.00 40.14 C ATOM 0 H VAL A 26 -8.099 -3.997 -3.907 1.00 73.12 H new ATOM 0 HA VAL A 26 -6.115 -3.824 -5.999 1.00 65.50 H new ATOM 0 HB VAL A 26 -6.148 -5.751 -3.711 1.00 61.05 H new ATOM 0 HG11 VAL A 26 -3.719 -5.311 -3.750 1.00 41.55 H new ATOM 0 HG12 VAL A 26 -4.312 -5.918 -5.315 1.00 41.55 H new ATOM 0 HG13 VAL A 26 -3.952 -4.187 -5.111 1.00 41.55 H new ATOM 0 HG21 VAL A 26 -5.193 -3.984 -2.275 1.00 40.14 H new ATOM 0 HG22 VAL A 26 -5.509 -2.786 -3.553 1.00 40.14 H new ATOM 0 HG23 VAL A 26 -6.866 -3.619 -2.759 1.00 40.14 H new ATOM 423 N VAL A 27 -7.117 -5.514 -7.505 1.00 70.54 N ATOM 424 CA VAL A 27 -7.442 -6.591 -8.426 1.00 5.02 C ATOM 425 C VAL A 27 -6.233 -6.873 -9.320 1.00 64.40 C ATOM 426 O VAL A 27 -5.319 -6.055 -9.412 1.00 12.30 O ATOM 427 CB VAL A 27 -8.702 -6.240 -9.218 1.00 53.44 C ATOM 428 CG1 VAL A 27 -9.837 -5.816 -8.284 1.00 32.32 C ATOM 429 CG2 VAL A 27 -8.412 -5.153 -10.256 1.00 74.53 C ATOM 0 H VAL A 27 -6.971 -4.605 -7.945 1.00 70.54 H new ATOM 0 HA VAL A 27 -7.663 -7.508 -7.879 1.00 5.02 H new ATOM 0 HB VAL A 27 -9.023 -7.135 -9.750 1.00 53.44 H new ATOM 0 HG11 VAL A 27 -10.721 -5.572 -8.873 1.00 32.32 H new ATOM 0 HG12 VAL A 27 -10.070 -6.633 -7.601 1.00 32.32 H new ATOM 0 HG13 VAL A 27 -9.529 -4.941 -7.712 1.00 32.32 H new ATOM 0 HG21 VAL A 27 -9.325 -4.922 -10.805 1.00 74.53 H new ATOM 0 HG22 VAL A 27 -8.054 -4.255 -9.752 1.00 74.53 H new ATOM 0 HG23 VAL A 27 -7.650 -5.507 -10.950 1.00 74.53 H new ATOM 439 N SER A 28 -6.266 -8.035 -9.956 1.00 51.04 N ATOM 440 CA SER A 28 -5.184 -8.436 -10.840 1.00 55.31 C ATOM 441 C SER A 28 -5.754 -9.095 -12.098 1.00 45.22 C ATOM 442 O SER A 28 -6.605 -9.978 -12.010 1.00 23.34 O ATOM 443 CB SER A 28 -4.219 -9.388 -10.132 1.00 71.31 C ATOM 444 OG SER A 28 -2.891 -9.273 -10.634 1.00 45.44 O ATOM 0 H SER A 28 -7.025 -8.712 -9.877 1.00 51.04 H new ATOM 0 HA SER A 28 -4.626 -7.544 -11.126 1.00 55.31 H new ATOM 0 HB2 SER A 28 -4.222 -9.178 -9.063 1.00 71.31 H new ATOM 0 HB3 SER A 28 -4.566 -10.414 -10.256 1.00 71.31 H new ATOM 0 HG SER A 28 -2.305 -9.896 -10.155 1.00 45.44 H new ATOM 450 N PRO A 29 -5.247 -8.628 -13.271 1.00 13.32 N ATOM 451 CA PRO A 29 -4.242 -7.579 -13.287 1.00 24.21 C ATOM 452 C PRO A 29 -4.864 -6.217 -12.973 1.00 72.21 C ATOM 453 O PRO A 29 -6.080 -6.051 -13.062 1.00 23.12 O ATOM 454 CB PRO A 29 -3.626 -7.645 -14.675 1.00 74.42 C ATOM 455 CG PRO A 29 -4.619 -8.410 -15.535 1.00 75.21 C ATOM 456 CD PRO A 29 -5.618 -9.084 -14.607 1.00 44.45 C ATOM 0 HA PRO A 29 -3.480 -7.716 -12.520 1.00 24.21 H new ATOM 0 HB2 PRO A 29 -3.453 -6.645 -15.074 1.00 74.42 H new ATOM 0 HB3 PRO A 29 -2.660 -8.150 -14.650 1.00 74.42 H new ATOM 0 HG2 PRO A 29 -5.131 -7.734 -16.220 1.00 75.21 H new ATOM 0 HG3 PRO A 29 -4.104 -9.152 -16.145 1.00 75.21 H new ATOM 0 HD2 PRO A 29 -6.641 -8.800 -14.853 1.00 44.45 H new ATOM 0 HD3 PRO A 29 -5.561 -10.170 -14.685 1.00 44.45 H new ATOM 464 N THR A 30 -4.003 -5.277 -12.613 1.00 24.41 N ATOM 465 CA THR A 30 -4.453 -3.935 -12.286 1.00 22.24 C ATOM 466 C THR A 30 -4.801 -3.164 -13.560 1.00 41.12 C ATOM 467 O THR A 30 -4.258 -3.445 -14.628 1.00 11.53 O ATOM 468 CB THR A 30 -3.364 -3.263 -11.447 1.00 12.23 C ATOM 469 OG1 THR A 30 -2.146 -3.728 -12.022 1.00 11.34 O ATOM 470 CG2 THR A 30 -3.323 -3.789 -10.011 1.00 10.05 C ATOM 0 H THR A 30 -2.995 -5.418 -12.541 1.00 24.41 H new ATOM 0 HA THR A 30 -5.370 -3.958 -11.697 1.00 22.24 H new ATOM 0 HB THR A 30 -3.529 -2.186 -11.434 1.00 12.23 H new ATOM 0 HG1 THR A 30 -1.387 -3.339 -11.539 1.00 11.34 H new ATOM 0 HG21 THR A 30 -2.533 -3.279 -9.459 1.00 10.05 H new ATOM 0 HG22 THR A 30 -4.282 -3.602 -9.528 1.00 10.05 H new ATOM 0 HG23 THR A 30 -3.125 -4.861 -10.022 1.00 10.05 H new ATOM 478 N GLY A 31 -5.704 -2.207 -13.406 1.00 52.04 N ATOM 479 CA GLY A 31 -6.131 -1.393 -14.532 1.00 33.02 C ATOM 480 C GLY A 31 -6.025 0.097 -14.202 1.00 40.33 C ATOM 481 O GLY A 31 -5.074 0.526 -13.550 1.00 53.32 O ATOM 0 H GLY A 31 -6.152 -1.977 -12.519 1.00 52.04 H new ATOM 0 HA2 GLY A 31 -5.517 -1.621 -15.404 1.00 33.02 H new ATOM 0 HA3 GLY A 31 -7.160 -1.639 -14.794 1.00 33.02 H new ATOM 485 N ILE A 32 -7.014 0.846 -14.668 1.00 70.31 N ATOM 486 CA ILE A 32 -7.044 2.279 -14.431 1.00 63.01 C ATOM 487 C ILE A 32 -6.780 2.552 -12.949 1.00 22.01 C ATOM 488 O ILE A 32 -7.238 1.805 -12.085 1.00 43.44 O ATOM 489 CB ILE A 32 -8.354 2.880 -14.943 1.00 74.31 C ATOM 490 CG1 ILE A 32 -8.481 2.709 -16.458 1.00 62.23 C ATOM 491 CG2 ILE A 32 -8.490 4.343 -14.518 1.00 44.31 C ATOM 492 CD1 ILE A 32 -9.949 2.714 -16.890 1.00 64.41 C ATOM 0 H ILE A 32 -7.801 0.487 -15.209 1.00 70.31 H new ATOM 0 HA ILE A 32 -6.252 2.774 -14.993 1.00 63.01 H new ATOM 0 HB ILE A 32 -9.180 2.335 -14.487 1.00 74.31 H new ATOM 0 HG12 ILE A 32 -7.947 3.513 -16.964 1.00 62.23 H new ATOM 0 HG13 ILE A 32 -8.012 1.773 -16.762 1.00 62.23 H new ATOM 0 HG21 ILE A 32 -9.430 4.746 -14.895 1.00 44.31 H new ATOM 0 HG22 ILE A 32 -8.478 4.408 -13.430 1.00 44.31 H new ATOM 0 HG23 ILE A 32 -7.659 4.919 -14.925 1.00 44.31 H new ATOM 0 HD11 ILE A 32 -10.010 2.591 -17.971 1.00 64.41 H new ATOM 0 HD12 ILE A 32 -10.475 1.894 -16.401 1.00 64.41 H new ATOM 0 HD13 ILE A 32 -10.409 3.661 -16.606 1.00 64.41 H new ATOM 504 N PRO A 33 -6.023 3.652 -12.693 1.00 43.42 N ATOM 505 CA PRO A 33 -5.692 4.033 -11.330 1.00 52.35 C ATOM 506 C PRO A 33 -6.899 4.658 -10.628 1.00 33.34 C ATOM 507 O PRO A 33 -7.710 5.333 -11.260 1.00 43.02 O ATOM 508 CB PRO A 33 -4.520 4.992 -11.463 1.00 55.21 C ATOM 509 CG PRO A 33 -4.537 5.473 -12.905 1.00 1.51 C ATOM 510 CD PRO A 33 -5.463 4.560 -13.691 1.00 32.13 C ATOM 0 HA PRO A 33 -5.422 3.179 -10.708 1.00 52.35 H new ATOM 0 HB2 PRO A 33 -4.619 5.828 -10.771 1.00 55.21 H new ATOM 0 HB3 PRO A 33 -3.579 4.494 -11.228 1.00 55.21 H new ATOM 0 HG2 PRO A 33 -4.883 6.505 -12.959 1.00 1.51 H new ATOM 0 HG3 PRO A 33 -3.532 5.451 -13.326 1.00 1.51 H new ATOM 0 HD2 PRO A 33 -6.246 5.128 -14.194 1.00 32.13 H new ATOM 0 HD3 PRO A 33 -4.920 4.014 -14.463 1.00 32.13 H new ATOM 518 N ALA A 34 -6.981 4.410 -9.329 1.00 22.24 N ATOM 519 CA ALA A 34 -8.075 4.939 -8.533 1.00 12.51 C ATOM 520 C ALA A 34 -8.043 6.468 -8.582 1.00 42.34 C ATOM 521 O ALA A 34 -9.047 7.123 -8.307 1.00 41.31 O ATOM 522 CB ALA A 34 -7.976 4.400 -7.105 1.00 3.14 C ATOM 0 H ALA A 34 -6.307 3.849 -8.808 1.00 22.24 H new ATOM 0 HA ALA A 34 -9.034 4.616 -8.937 1.00 12.51 H new ATOM 0 HB1 ALA A 34 -8.797 4.797 -6.508 1.00 3.14 H new ATOM 0 HB2 ALA A 34 -8.033 3.312 -7.122 1.00 3.14 H new ATOM 0 HB3 ALA A 34 -7.027 4.706 -6.665 1.00 3.14 H new ATOM 528 N GLU A 35 -6.878 6.992 -8.935 1.00 53.54 N ATOM 529 CA GLU A 35 -6.702 8.432 -9.025 1.00 2.04 C ATOM 530 C GLU A 35 -7.423 8.980 -10.257 1.00 74.15 C ATOM 531 O GLU A 35 -7.486 10.192 -10.457 1.00 15.15 O ATOM 532 CB GLU A 35 -5.217 8.802 -9.049 1.00 35.05 C ATOM 533 CG GLU A 35 -4.396 7.827 -8.204 1.00 25.44 C ATOM 534 CD GLU A 35 -3.250 8.549 -7.491 1.00 70.24 C ATOM 535 OE1 GLU A 35 -3.450 9.105 -6.401 1.00 73.32 O ATOM 536 OE2 GLU A 35 -2.118 8.518 -8.110 1.00 13.53 O ATOM 0 H GLU A 35 -6.047 6.446 -9.162 1.00 53.54 H new ATOM 0 HA GLU A 35 -7.143 8.888 -8.138 1.00 2.04 H new ATOM 0 HB2 GLU A 35 -4.853 8.794 -10.076 1.00 35.05 H new ATOM 0 HB3 GLU A 35 -5.085 9.816 -8.672 1.00 35.05 H new ATOM 0 HG2 GLU A 35 -5.041 7.346 -7.469 1.00 25.44 H new ATOM 0 HG3 GLU A 35 -3.994 7.038 -8.840 1.00 25.44 H new ATOM 544 N ASP A 36 -7.950 8.060 -11.053 1.00 45.41 N ATOM 545 CA ASP A 36 -8.664 8.436 -12.261 1.00 52.21 C ATOM 546 C ASP A 36 -10.167 8.260 -12.035 1.00 71.21 C ATOM 547 O ASP A 36 -10.965 8.474 -12.946 1.00 41.44 O ATOM 548 CB ASP A 36 -8.256 7.551 -13.440 1.00 73.13 C ATOM 549 CG ASP A 36 -6.797 7.690 -13.879 1.00 20.54 C ATOM 550 OD1 ASP A 36 -6.396 7.179 -14.935 1.00 52.12 O ATOM 551 OD2 ASP A 36 -6.048 8.364 -13.074 1.00 2.13 O ATOM 0 H ASP A 36 -7.896 7.055 -10.884 1.00 45.41 H new ATOM 0 HA ASP A 36 -8.420 9.474 -12.488 1.00 52.21 H new ATOM 0 HB2 ASP A 36 -8.442 6.510 -13.175 1.00 73.13 H new ATOM 0 HB3 ASP A 36 -8.899 7.784 -14.289 1.00 73.13 H new ATOM 557 N ILE A 37 -10.508 7.870 -10.815 1.00 50.55 N ATOM 558 CA ILE A 37 -11.901 7.663 -10.458 1.00 71.32 C ATOM 559 C ILE A 37 -12.728 8.861 -10.930 1.00 30.45 C ATOM 560 O ILE A 37 -13.763 8.691 -11.572 1.00 33.35 O ATOM 561 CB ILE A 37 -12.033 7.375 -8.961 1.00 51.13 C ATOM 562 CG1 ILE A 37 -12.034 5.869 -8.690 1.00 53.24 C ATOM 563 CG2 ILE A 37 -13.269 8.063 -8.378 1.00 5.54 C ATOM 564 CD1 ILE A 37 -12.741 5.550 -7.372 1.00 31.15 C ATOM 0 H ILE A 37 -9.844 7.692 -10.062 1.00 50.55 H new ATOM 0 HA ILE A 37 -12.298 6.783 -10.964 1.00 71.32 H new ATOM 0 HB ILE A 37 -11.163 7.792 -8.455 1.00 51.13 H new ATOM 0 HG12 ILE A 37 -12.531 5.349 -9.509 1.00 53.24 H new ATOM 0 HG13 ILE A 37 -11.008 5.501 -8.655 1.00 53.24 H new ATOM 0 HG21 ILE A 37 -13.340 7.842 -7.313 1.00 5.54 H new ATOM 0 HG22 ILE A 37 -13.187 9.140 -8.521 1.00 5.54 H new ATOM 0 HG23 ILE A 37 -14.162 7.697 -8.884 1.00 5.54 H new ATOM 0 HD11 ILE A 37 -12.728 4.473 -7.203 1.00 31.15 H new ATOM 0 HD12 ILE A 37 -12.227 6.052 -6.552 1.00 31.15 H new ATOM 0 HD13 ILE A 37 -13.773 5.897 -7.420 1.00 31.15 H new ATOM 576 N PRO A 38 -12.227 10.077 -10.584 1.00 30.35 N ATOM 577 CA PRO A 38 -12.908 11.302 -10.964 1.00 50.52 C ATOM 578 C PRO A 38 -12.706 11.603 -12.451 1.00 5.34 C ATOM 579 O PRO A 38 -13.398 12.448 -13.017 1.00 30.24 O ATOM 580 CB PRO A 38 -12.326 12.374 -10.057 1.00 31.14 C ATOM 581 CG PRO A 38 -11.019 11.807 -9.527 1.00 70.20 C ATOM 582 CD PRO A 38 -11.004 10.316 -9.824 1.00 4.14 C ATOM 0 HA PRO A 38 -13.989 11.238 -10.840 1.00 50.52 H new ATOM 0 HB2 PRO A 38 -12.156 13.300 -10.606 1.00 31.14 H new ATOM 0 HB3 PRO A 38 -13.009 12.608 -9.241 1.00 31.14 H new ATOM 0 HG2 PRO A 38 -10.169 12.299 -10.000 1.00 70.20 H new ATOM 0 HG3 PRO A 38 -10.933 11.984 -8.455 1.00 70.20 H new ATOM 0 HD2 PRO A 38 -10.120 10.035 -10.397 1.00 4.14 H new ATOM 0 HD3 PRO A 38 -10.988 9.729 -8.905 1.00 4.14 H new ATOM 590 N ARG A 39 -11.753 10.896 -13.040 1.00 74.35 N ATOM 591 CA ARG A 39 -11.451 11.076 -14.450 1.00 51.32 C ATOM 592 C ARG A 39 -12.408 10.247 -15.309 1.00 21.42 C ATOM 593 O ARG A 39 -12.777 10.658 -16.408 1.00 24.12 O ATOM 594 CB ARG A 39 -10.011 10.665 -14.762 1.00 3.23 C ATOM 595 CG ARG A 39 -9.013 11.619 -14.102 1.00 13.54 C ATOM 596 CD ARG A 39 -7.686 11.637 -14.862 1.00 41.44 C ATOM 597 NE ARG A 39 -7.403 10.295 -15.419 1.00 12.44 N ATOM 598 CZ ARG A 39 -6.494 10.054 -16.387 1.00 73.32 C ATOM 599 NH1 ARG A 39 -5.771 11.064 -16.916 1.00 33.32 N ATOM 600 NH2 ARG A 39 -6.323 8.815 -16.810 1.00 34.24 N ATOM 0 H ARG A 39 -11.180 10.197 -12.567 1.00 74.35 H new ATOM 0 HA ARG A 39 -11.573 12.134 -14.682 1.00 51.32 H new ATOM 0 HB2 ARG A 39 -9.835 9.648 -14.410 1.00 3.23 H new ATOM 0 HB3 ARG A 39 -9.856 10.660 -15.841 1.00 3.23 H new ATOM 0 HG2 ARG A 39 -9.432 12.625 -14.071 1.00 13.54 H new ATOM 0 HG3 ARG A 39 -8.841 11.314 -13.070 1.00 13.54 H new ATOM 0 HD2 ARG A 39 -7.728 12.372 -15.666 1.00 41.44 H new ATOM 0 HD3 ARG A 39 -6.879 11.940 -14.195 1.00 41.44 H new ATOM 0 HE ARG A 39 -7.928 9.503 -15.048 1.00 12.44 H new ATOM 0 HH11 ARG A 39 -5.910 12.019 -16.584 1.00 33.32 H new ATOM 0 HH12 ARG A 39 -5.086 10.872 -17.647 1.00 33.32 H new ATOM 0 HH21 ARG A 39 -6.874 8.058 -16.406 1.00 34.24 H new ATOM 0 HH22 ARG A 39 -5.640 8.615 -17.541 1.00 34.24 H new ATOM 613 N LEU A 40 -12.783 9.094 -14.775 1.00 22.54 N ATOM 614 CA LEU A 40 -13.690 8.202 -15.478 1.00 44.52 C ATOM 615 C LEU A 40 -15.111 8.763 -15.400 1.00 51.14 C ATOM 616 O LEU A 40 -15.934 8.503 -16.277 1.00 22.51 O ATOM 617 CB LEU A 40 -13.561 6.775 -14.942 1.00 53.15 C ATOM 618 CG LEU A 40 -12.377 5.964 -15.472 1.00 71.22 C ATOM 619 CD1 LEU A 40 -12.583 5.589 -16.941 1.00 62.21 C ATOM 620 CD2 LEU A 40 -11.059 6.708 -15.250 1.00 11.32 C ATOM 0 H LEU A 40 -12.475 8.757 -13.863 1.00 22.54 H new ATOM 0 HA LEU A 40 -13.427 8.145 -16.534 1.00 44.52 H new ATOM 0 HB2 LEU A 40 -13.487 6.822 -13.856 1.00 53.15 H new ATOM 0 HB3 LEU A 40 -14.479 6.236 -15.176 1.00 53.15 H new ATOM 0 HG LEU A 40 -12.320 5.034 -14.907 1.00 71.22 H new ATOM 0 HD11 LEU A 40 -11.727 5.013 -17.293 1.00 62.21 H new ATOM 0 HD12 LEU A 40 -13.489 4.991 -17.040 1.00 62.21 H new ATOM 0 HD13 LEU A 40 -12.680 6.496 -17.538 1.00 62.21 H new ATOM 0 HD21 LEU A 40 -10.234 6.109 -15.636 1.00 11.32 H new ATOM 0 HD22 LEU A 40 -11.089 7.664 -15.772 1.00 11.32 H new ATOM 0 HD23 LEU A 40 -10.914 6.881 -14.184 1.00 11.32 H new ATOM 632 N ILE A 41 -15.356 9.523 -14.343 1.00 33.41 N ATOM 633 CA ILE A 41 -16.664 10.122 -14.139 1.00 51.22 C ATOM 634 C ILE A 41 -17.037 10.952 -15.369 1.00 73.35 C ATOM 635 O ILE A 41 -16.241 11.762 -15.841 1.00 60.12 O ATOM 636 CB ILE A 41 -16.692 10.915 -12.831 1.00 40.51 C ATOM 637 CG1 ILE A 41 -16.398 10.009 -11.634 1.00 12.11 C ATOM 638 CG2 ILE A 41 -18.017 11.664 -12.672 1.00 42.00 C ATOM 639 CD1 ILE A 41 -17.693 9.581 -10.940 1.00 3.24 C ATOM 0 H ILE A 41 -14.671 9.738 -13.619 1.00 33.41 H new ATOM 0 HA ILE A 41 -17.425 9.349 -14.032 1.00 51.22 H new ATOM 0 HB ILE A 41 -15.901 11.664 -12.869 1.00 40.51 H new ATOM 0 HG12 ILE A 41 -15.851 9.127 -11.967 1.00 12.11 H new ATOM 0 HG13 ILE A 41 -15.757 10.533 -10.925 1.00 12.11 H new ATOM 0 HG21 ILE A 41 -18.011 12.219 -11.734 1.00 42.00 H new ATOM 0 HG22 ILE A 41 -18.145 12.357 -13.503 1.00 42.00 H new ATOM 0 HG23 ILE A 41 -18.840 10.950 -12.665 1.00 42.00 H new ATOM 0 HD11 ILE A 41 -17.456 8.938 -10.093 1.00 3.24 H new ATOM 0 HD12 ILE A 41 -18.226 10.464 -10.587 1.00 3.24 H new ATOM 0 HD13 ILE A 41 -18.321 9.036 -11.645 1.00 3.24 H new ATOM 651 N SER A 42 -18.249 10.721 -15.854 1.00 65.21 N ATOM 652 CA SER A 42 -18.737 11.437 -17.020 1.00 60.45 C ATOM 653 C SER A 42 -18.297 10.718 -18.298 1.00 2.14 C ATOM 654 O SER A 42 -18.817 10.991 -19.378 1.00 61.13 O ATOM 655 CB SER A 42 -18.239 12.883 -17.027 1.00 15.30 C ATOM 656 OG SER A 42 -19.151 13.758 -17.685 1.00 54.53 O ATOM 0 H SER A 42 -18.907 10.048 -15.460 1.00 65.21 H new ATOM 0 HA SER A 42 -19.826 11.457 -16.978 1.00 60.45 H new ATOM 0 HB2 SER A 42 -18.089 13.220 -16.001 1.00 15.30 H new ATOM 0 HB3 SER A 42 -17.269 12.930 -17.523 1.00 15.30 H new ATOM 0 HG SER A 42 -18.798 14.672 -17.667 1.00 54.53 H new ATOM 662 N MET A 43 -17.343 9.814 -18.131 1.00 22.02 N ATOM 663 CA MET A 43 -16.827 9.054 -19.257 1.00 3.22 C ATOM 664 C MET A 43 -17.489 7.678 -19.339 1.00 74.43 C ATOM 665 O MET A 43 -17.508 6.934 -18.360 1.00 12.14 O ATOM 666 CB MET A 43 -15.314 8.884 -19.108 1.00 5.54 C ATOM 667 CG MET A 43 -14.683 10.125 -18.472 1.00 44.23 C ATOM 668 SD MET A 43 -13.071 10.422 -19.181 1.00 33.52 S ATOM 669 CE MET A 43 -12.418 8.760 -19.171 1.00 52.30 C ATOM 0 H MET A 43 -16.914 9.591 -17.233 1.00 22.02 H new ATOM 0 HA MET A 43 -17.052 9.600 -20.173 1.00 3.22 H new ATOM 0 HB2 MET A 43 -15.101 8.009 -18.494 1.00 5.54 H new ATOM 0 HB3 MET A 43 -14.867 8.704 -20.086 1.00 5.54 H new ATOM 0 HG2 MET A 43 -15.325 10.992 -18.631 1.00 44.23 H new ATOM 0 HG3 MET A 43 -14.596 9.987 -17.394 1.00 44.23 H new ATOM 0 HE1 MET A 43 -11.372 8.782 -18.866 1.00 52.30 H new ATOM 0 HE2 MET A 43 -12.988 8.149 -18.471 1.00 52.30 H new ATOM 0 HE3 MET A 43 -12.495 8.333 -20.171 1.00 52.30 H new ATOM 679 N GLN A 44 -18.017 7.380 -20.518 1.00 21.14 N ATOM 680 CA GLN A 44 -18.679 6.106 -20.741 1.00 21.32 C ATOM 681 C GLN A 44 -17.645 5.011 -21.015 1.00 13.35 C ATOM 682 O GLN A 44 -16.444 5.276 -21.028 1.00 52.45 O ATOM 683 CB GLN A 44 -19.688 6.205 -21.886 1.00 52.53 C ATOM 684 CG GLN A 44 -20.603 7.418 -21.707 1.00 14.34 C ATOM 685 CD GLN A 44 -20.873 8.105 -23.047 1.00 3.31 C ATOM 686 OE1 GLN A 44 -20.655 9.293 -23.220 1.00 10.33 O ATOM 687 NE2 GLN A 44 -21.357 7.294 -23.983 1.00 40.10 N ATOM 0 H GLN A 44 -18.000 7.999 -21.328 1.00 21.14 H new ATOM 0 HA GLN A 44 -19.229 5.842 -19.838 1.00 21.32 H new ATOM 0 HB2 GLN A 44 -19.159 6.281 -22.836 1.00 52.53 H new ATOM 0 HB3 GLN A 44 -20.288 5.296 -21.927 1.00 52.53 H new ATOM 0 HG2 GLN A 44 -21.546 7.104 -21.259 1.00 14.34 H new ATOM 0 HG3 GLN A 44 -20.143 8.126 -21.018 1.00 14.34 H new ATOM 0 HE21 GLN A 44 -21.516 6.309 -23.772 1.00 40.10 H new ATOM 0 HE22 GLN A 44 -21.569 7.657 -24.912 1.00 40.10 H new ATOM 696 N VAL A 45 -18.150 3.805 -21.225 1.00 61.44 N ATOM 697 CA VAL A 45 -17.285 2.669 -21.498 1.00 34.00 C ATOM 698 C VAL A 45 -17.468 2.232 -22.953 1.00 32.12 C ATOM 699 O VAL A 45 -18.545 2.397 -23.524 1.00 32.04 O ATOM 700 CB VAL A 45 -17.565 1.546 -20.497 1.00 1.32 C ATOM 701 CG1 VAL A 45 -16.954 1.865 -19.131 1.00 14.43 C ATOM 702 CG2 VAL A 45 -19.067 1.279 -20.378 1.00 2.55 C ATOM 0 H VAL A 45 -19.147 3.589 -21.212 1.00 61.44 H new ATOM 0 HA VAL A 45 -16.239 2.946 -21.371 1.00 34.00 H new ATOM 0 HB VAL A 45 -17.093 0.638 -20.871 1.00 1.32 H new ATOM 0 HG11 VAL A 45 -17.167 1.051 -18.438 1.00 14.43 H new ATOM 0 HG12 VAL A 45 -15.875 1.981 -19.233 1.00 14.43 H new ATOM 0 HG13 VAL A 45 -17.384 2.790 -18.747 1.00 14.43 H new ATOM 0 HG21 VAL A 45 -19.238 0.477 -19.660 1.00 2.55 H new ATOM 0 HG22 VAL A 45 -19.572 2.183 -20.038 1.00 2.55 H new ATOM 0 HG23 VAL A 45 -19.463 0.986 -21.351 1.00 2.55 H new ATOM 712 N ASN A 46 -16.399 1.683 -23.511 1.00 35.20 N ATOM 713 CA ASN A 46 -16.428 1.221 -24.888 1.00 75.33 C ATOM 714 C ASN A 46 -16.644 -0.294 -24.909 1.00 54.21 C ATOM 715 O ASN A 46 -16.221 -0.972 -25.844 1.00 21.02 O ATOM 716 CB ASN A 46 -15.106 1.519 -25.597 1.00 52.54 C ATOM 717 CG ASN A 46 -13.971 0.672 -25.020 1.00 63.23 C ATOM 718 OD1 ASN A 46 -14.069 -0.537 -24.888 1.00 72.00 O ATOM 719 ND2 ASN A 46 -12.890 1.371 -24.685 1.00 52.01 N ATOM 0 H ASN A 46 -15.507 1.548 -23.034 1.00 35.20 H new ATOM 0 HA ASN A 46 -17.238 1.741 -25.401 1.00 75.33 H new ATOM 0 HB2 ASN A 46 -15.208 1.318 -26.664 1.00 52.54 H new ATOM 0 HB3 ASN A 46 -14.864 2.577 -25.493 1.00 52.54 H new ATOM 0 HD21 ASN A 46 -12.077 0.896 -24.291 1.00 52.01 H new ATOM 0 HD22 ASN A 46 -12.874 2.382 -24.822 1.00 52.01 H new ATOM 726 N GLN A 47 -17.303 -0.780 -23.867 1.00 51.24 N ATOM 727 CA GLN A 47 -17.580 -2.202 -23.754 1.00 55.32 C ATOM 728 C GLN A 47 -18.379 -2.487 -22.480 1.00 65.25 C ATOM 729 O GLN A 47 -18.214 -1.800 -21.474 1.00 14.33 O ATOM 730 CB GLN A 47 -16.286 -3.017 -23.784 1.00 51.15 C ATOM 731 CG GLN A 47 -16.547 -4.474 -23.398 1.00 63.22 C ATOM 732 CD GLN A 47 -15.233 -5.231 -23.197 1.00 24.44 C ATOM 733 OE1 GLN A 47 -14.400 -4.651 -22.336 1.00 72.34 O flip ATOM 734 NE2 GLN A 47 -14.990 -6.273 -23.783 1.00 74.34 N flip ATOM 0 H GLN A 47 -17.653 -0.214 -23.094 1.00 51.24 H new ATOM 0 HA GLN A 47 -18.181 -2.505 -24.612 1.00 55.32 H new ATOM 0 HB2 GLN A 47 -15.848 -2.974 -24.781 1.00 51.15 H new ATOM 0 HB3 GLN A 47 -15.561 -2.580 -23.098 1.00 51.15 H new ATOM 0 HG2 GLN A 47 -17.136 -4.511 -22.482 1.00 63.22 H new ATOM 0 HG3 GLN A 47 -17.136 -4.960 -24.176 1.00 63.22 H new ATOM 0 HE21 GLN A 47 -15.673 -6.665 -24.431 1.00 74.34 H new ATOM 0 HE22 GLN A 47 -14.104 -6.752 -23.625 1.00 74.34 H new ATOM 743 N VAL A 48 -19.225 -3.502 -22.566 1.00 75.40 N ATOM 744 CA VAL A 48 -20.049 -3.887 -21.433 1.00 34.23 C ATOM 745 C VAL A 48 -19.150 -4.381 -20.298 1.00 62.31 C ATOM 746 O VAL A 48 -18.655 -5.507 -20.339 1.00 1.43 O ATOM 747 CB VAL A 48 -21.087 -4.924 -21.868 1.00 63.31 C ATOM 748 CG1 VAL A 48 -21.539 -5.779 -20.682 1.00 44.12 C ATOM 749 CG2 VAL A 48 -22.282 -4.253 -22.547 1.00 40.41 C ATOM 0 H VAL A 48 -19.358 -4.070 -23.403 1.00 75.40 H new ATOM 0 HA VAL A 48 -20.605 -3.028 -21.057 1.00 34.23 H new ATOM 0 HB VAL A 48 -20.615 -5.584 -22.596 1.00 63.31 H new ATOM 0 HG11 VAL A 48 -22.276 -6.508 -21.019 1.00 44.12 H new ATOM 0 HG12 VAL A 48 -20.680 -6.301 -20.261 1.00 44.12 H new ATOM 0 HG13 VAL A 48 -21.983 -5.139 -19.920 1.00 44.12 H new ATOM 0 HG21 VAL A 48 -23.004 -5.013 -22.846 1.00 40.41 H new ATOM 0 HG22 VAL A 48 -22.753 -3.558 -21.851 1.00 40.41 H new ATOM 0 HG23 VAL A 48 -21.942 -3.709 -23.428 1.00 40.41 H new ATOM 759 N VAL A 49 -18.965 -3.516 -19.312 1.00 55.42 N ATOM 760 CA VAL A 49 -18.134 -3.850 -18.168 1.00 51.24 C ATOM 761 C VAL A 49 -19.028 -4.144 -16.962 1.00 52.11 C ATOM 762 O VAL A 49 -19.590 -3.228 -16.363 1.00 70.14 O ATOM 763 CB VAL A 49 -17.128 -2.727 -17.907 1.00 63.41 C ATOM 764 CG1 VAL A 49 -16.082 -3.157 -16.876 1.00 35.32 C ATOM 765 CG2 VAL A 49 -16.461 -2.275 -19.208 1.00 11.12 C ATOM 0 H VAL A 49 -19.377 -2.583 -19.282 1.00 55.42 H new ATOM 0 HA VAL A 49 -17.552 -4.750 -18.368 1.00 51.24 H new ATOM 0 HB VAL A 49 -17.674 -1.877 -17.497 1.00 63.41 H new ATOM 0 HG11 VAL A 49 -15.379 -2.341 -16.709 1.00 35.32 H new ATOM 0 HG12 VAL A 49 -16.577 -3.407 -15.938 1.00 35.32 H new ATOM 0 HG13 VAL A 49 -15.544 -4.029 -17.246 1.00 35.32 H new ATOM 0 HG21 VAL A 49 -15.751 -1.476 -18.994 1.00 11.12 H new ATOM 0 HG22 VAL A 49 -15.936 -3.117 -19.659 1.00 11.12 H new ATOM 0 HG23 VAL A 49 -17.221 -1.910 -19.899 1.00 11.12 H new ATOM 775 N PRO A 50 -19.135 -5.459 -16.633 1.00 21.11 N ATOM 776 CA PRO A 50 -19.951 -5.885 -15.509 1.00 31.41 C ATOM 777 C PRO A 50 -19.260 -5.573 -14.180 1.00 32.11 C ATOM 778 O PRO A 50 -18.076 -5.240 -14.155 1.00 14.12 O ATOM 779 CB PRO A 50 -20.175 -7.373 -15.727 1.00 2.11 C ATOM 780 CG PRO A 50 -19.098 -7.818 -16.704 1.00 12.44 C ATOM 781 CD PRO A 50 -18.484 -6.571 -17.319 1.00 62.13 C ATOM 0 HA PRO A 50 -20.902 -5.356 -15.456 1.00 31.41 H new ATOM 0 HB2 PRO A 50 -20.101 -7.921 -14.788 1.00 2.11 H new ATOM 0 HB3 PRO A 50 -21.170 -7.563 -16.129 1.00 2.11 H new ATOM 0 HG2 PRO A 50 -18.336 -8.406 -16.191 1.00 12.44 H new ATOM 0 HG3 PRO A 50 -19.525 -8.455 -17.478 1.00 12.44 H new ATOM 0 HD2 PRO A 50 -17.404 -6.548 -17.173 1.00 62.13 H new ATOM 0 HD3 PRO A 50 -18.661 -6.531 -18.394 1.00 62.13 H new ATOM 789 N MET A 51 -20.029 -5.692 -13.108 1.00 33.04 N ATOM 790 CA MET A 51 -19.506 -5.427 -11.778 1.00 50.32 C ATOM 791 C MET A 51 -18.417 -6.435 -11.406 1.00 42.14 C ATOM 792 O MET A 51 -18.457 -7.586 -11.839 1.00 14.32 O ATOM 793 CB MET A 51 -20.643 -5.503 -10.757 1.00 60.43 C ATOM 794 CG MET A 51 -20.170 -5.050 -9.375 1.00 1.42 C ATOM 795 SD MET A 51 -21.455 -5.328 -8.168 1.00 53.30 S ATOM 796 CE MET A 51 -20.736 -6.683 -7.256 1.00 10.14 C ATOM 0 H MET A 51 -21.011 -5.968 -13.133 1.00 33.04 H new ATOM 0 HA MET A 51 -19.068 -4.429 -11.773 1.00 50.32 H new ATOM 0 HB2 MET A 51 -21.473 -4.877 -11.084 1.00 60.43 H new ATOM 0 HB3 MET A 51 -21.018 -6.525 -10.700 1.00 60.43 H new ATOM 0 HG2 MET A 51 -19.270 -5.596 -9.093 1.00 1.42 H new ATOM 0 HG3 MET A 51 -19.906 -3.993 -9.400 1.00 1.42 H new ATOM 0 HE1 MET A 51 -21.414 -6.984 -6.457 1.00 10.14 H new ATOM 0 HE2 MET A 51 -20.569 -7.525 -7.927 1.00 10.14 H new ATOM 0 HE3 MET A 51 -19.785 -6.368 -6.826 1.00 10.14 H new ATOM 806 N GLY A 52 -17.469 -5.966 -10.608 1.00 63.05 N ATOM 807 CA GLY A 52 -16.371 -6.812 -10.174 1.00 25.25 C ATOM 808 C GLY A 52 -15.284 -6.896 -11.248 1.00 33.22 C ATOM 809 O GLY A 52 -14.216 -7.459 -11.013 1.00 31.11 O ATOM 0 H GLY A 52 -17.439 -5.011 -10.251 1.00 63.05 H new ATOM 0 HA2 GLY A 52 -15.946 -6.417 -9.252 1.00 25.25 H new ATOM 0 HA3 GLY A 52 -16.744 -7.811 -9.950 1.00 25.25 H new ATOM 813 N THR A 53 -15.595 -6.328 -12.404 1.00 2.03 N ATOM 814 CA THR A 53 -14.658 -6.332 -13.515 1.00 14.52 C ATOM 815 C THR A 53 -13.742 -5.108 -13.444 1.00 33.30 C ATOM 816 O THR A 53 -14.212 -3.973 -13.497 1.00 1.45 O ATOM 817 CB THR A 53 -15.465 -6.412 -14.812 1.00 61.44 C ATOM 818 OG1 THR A 53 -16.247 -7.594 -14.662 1.00 64.32 O ATOM 819 CG2 THR A 53 -14.586 -6.700 -16.031 1.00 42.53 C ATOM 0 H THR A 53 -16.482 -5.862 -12.595 1.00 2.03 H new ATOM 0 HA THR A 53 -13.996 -7.197 -13.472 1.00 14.52 H new ATOM 0 HB THR A 53 -16.002 -5.476 -14.964 1.00 61.44 H new ATOM 0 HG1 THR A 53 -17.172 -7.350 -14.449 1.00 64.32 H new ATOM 0 HG21 THR A 53 -15.208 -6.747 -16.925 1.00 42.53 H new ATOM 0 HG22 THR A 53 -13.848 -5.906 -16.143 1.00 42.53 H new ATOM 0 HG23 THR A 53 -14.075 -7.653 -15.894 1.00 42.53 H new ATOM 827 N THR A 54 -12.451 -5.382 -13.326 1.00 13.22 N ATOM 828 CA THR A 54 -11.465 -4.318 -13.247 1.00 50.42 C ATOM 829 C THR A 54 -11.682 -3.306 -14.374 1.00 4.41 C ATOM 830 O THR A 54 -12.060 -3.678 -15.483 1.00 53.14 O ATOM 831 CB THR A 54 -10.076 -4.958 -13.265 1.00 22.43 C ATOM 832 OG1 THR A 54 -10.078 -5.822 -12.131 1.00 63.25 O ATOM 833 CG2 THR A 54 -8.963 -3.952 -12.964 1.00 60.24 C ATOM 0 H THR A 54 -12.065 -6.325 -13.283 1.00 13.22 H new ATOM 0 HA THR A 54 -11.566 -3.753 -12.320 1.00 50.42 H new ATOM 0 HB THR A 54 -9.899 -5.414 -14.239 1.00 22.43 H new ATOM 0 HG1 THR A 54 -9.388 -6.509 -12.242 1.00 63.25 H new ATOM 0 HG21 THR A 54 -7.998 -4.458 -12.989 1.00 60.24 H new ATOM 0 HG22 THR A 54 -8.977 -3.160 -13.712 1.00 60.24 H new ATOM 0 HG23 THR A 54 -9.120 -3.520 -11.976 1.00 60.24 H new ATOM 841 N LEU A 55 -11.432 -2.045 -14.050 1.00 61.41 N ATOM 842 CA LEU A 55 -11.595 -0.977 -15.021 1.00 42.22 C ATOM 843 C LEU A 55 -10.284 -0.786 -15.788 1.00 14.24 C ATOM 844 O LEU A 55 -9.233 -0.575 -15.184 1.00 54.14 O ATOM 845 CB LEU A 55 -12.099 0.296 -14.338 1.00 4.02 C ATOM 846 CG LEU A 55 -13.203 1.059 -15.072 1.00 1.32 C ATOM 847 CD1 LEU A 55 -13.153 0.784 -16.576 1.00 2.41 C ATOM 848 CD2 LEU A 55 -14.577 0.743 -14.477 1.00 4.12 C ATOM 0 H LEU A 55 -11.118 -1.740 -13.129 1.00 61.41 H new ATOM 0 HA LEU A 55 -12.358 -1.241 -15.753 1.00 42.22 H new ATOM 0 HB2 LEU A 55 -12.465 0.032 -13.346 1.00 4.02 H new ATOM 0 HB3 LEU A 55 -11.253 0.968 -14.197 1.00 4.02 H new ATOM 0 HG LEU A 55 -13.030 2.126 -14.934 1.00 1.32 H new ATOM 0 HD11 LEU A 55 -13.948 1.339 -17.074 1.00 2.41 H new ATOM 0 HD12 LEU A 55 -12.188 1.100 -16.972 1.00 2.41 H new ATOM 0 HD13 LEU A 55 -13.287 -0.283 -16.755 1.00 2.41 H new ATOM 0 HD21 LEU A 55 -15.344 1.298 -15.017 1.00 4.12 H new ATOM 0 HD22 LEU A 55 -14.774 -0.326 -14.564 1.00 4.12 H new ATOM 0 HD23 LEU A 55 -14.593 1.031 -13.426 1.00 4.12 H new ATOM 860 N MET A 56 -10.390 -0.867 -17.106 1.00 1.32 N ATOM 861 CA MET A 56 -9.226 -0.705 -17.961 1.00 73.40 C ATOM 862 C MET A 56 -9.279 0.626 -18.713 1.00 3.11 C ATOM 863 O MET A 56 -10.358 1.159 -18.965 1.00 73.53 O ATOM 864 CB MET A 56 -9.168 -1.857 -18.966 1.00 64.51 C ATOM 865 CG MET A 56 -9.026 -3.202 -18.251 1.00 24.54 C ATOM 866 SD MET A 56 -7.299 -3.602 -18.038 1.00 1.51 S ATOM 867 CE MET A 56 -7.263 -3.896 -16.278 1.00 33.22 C ATOM 0 H MET A 56 -11.263 -1.043 -17.603 1.00 1.32 H new ATOM 0 HA MET A 56 -8.334 -0.711 -17.335 1.00 73.40 H new ATOM 0 HB2 MET A 56 -10.072 -1.859 -19.575 1.00 64.51 H new ATOM 0 HB3 MET A 56 -8.327 -1.711 -19.644 1.00 64.51 H new ATOM 0 HG2 MET A 56 -9.521 -3.161 -17.280 1.00 24.54 H new ATOM 0 HG3 MET A 56 -9.520 -3.984 -18.828 1.00 24.54 H new ATOM 0 HE1 MET A 56 -6.260 -3.704 -15.897 1.00 33.22 H new ATOM 0 HE2 MET A 56 -7.972 -3.232 -15.784 1.00 33.22 H new ATOM 0 HE3 MET A 56 -7.535 -4.932 -16.077 1.00 33.22 H new ATOM 877 N PRO A 57 -8.067 1.139 -19.059 1.00 35.13 N ATOM 878 CA PRO A 57 -7.965 2.398 -19.777 1.00 12.03 C ATOM 879 C PRO A 57 -8.350 2.224 -21.247 1.00 60.42 C ATOM 880 O PRO A 57 -8.585 3.204 -21.952 1.00 1.14 O ATOM 881 CB PRO A 57 -6.524 2.842 -19.588 1.00 41.34 C ATOM 882 CG PRO A 57 -5.756 1.599 -19.171 1.00 23.04 C ATOM 883 CD PRO A 57 -6.768 0.536 -18.776 1.00 51.05 C ATOM 0 HA PRO A 57 -8.654 3.154 -19.400 1.00 12.03 H new ATOM 0 HB2 PRO A 57 -6.120 3.260 -20.510 1.00 41.34 H new ATOM 0 HB3 PRO A 57 -6.451 3.619 -18.827 1.00 41.34 H new ATOM 0 HG2 PRO A 57 -5.130 1.244 -19.990 1.00 23.04 H new ATOM 0 HG3 PRO A 57 -5.092 1.823 -18.336 1.00 23.04 H new ATOM 0 HD2 PRO A 57 -6.624 -0.380 -19.348 1.00 51.05 H new ATOM 0 HD3 PRO A 57 -6.675 0.272 -17.723 1.00 51.05 H new ATOM 891 N ASP A 58 -8.403 0.968 -21.667 1.00 45.01 N ATOM 892 CA ASP A 58 -8.755 0.652 -23.041 1.00 1.50 C ATOM 893 C ASP A 58 -10.218 0.210 -23.099 1.00 33.12 C ATOM 894 O ASP A 58 -10.669 -0.326 -24.110 1.00 21.31 O ATOM 895 CB ASP A 58 -7.894 -0.491 -23.582 1.00 4.52 C ATOM 896 CG ASP A 58 -8.282 -0.990 -24.975 1.00 51.50 C ATOM 897 OD1 ASP A 58 -8.649 -2.160 -25.155 1.00 34.23 O ATOM 898 OD2 ASP A 58 -8.195 -0.109 -25.914 1.00 4.25 O ATOM 0 H ASP A 58 -8.208 0.157 -21.080 1.00 45.01 H new ATOM 0 HA ASP A 58 -8.590 1.544 -23.645 1.00 1.50 H new ATOM 0 HB2 ASP A 58 -6.855 -0.163 -23.607 1.00 4.52 H new ATOM 0 HB3 ASP A 58 -7.948 -1.327 -22.885 1.00 4.52 H new ATOM 904 N MET A 59 -10.920 0.451 -22.001 1.00 60.10 N ATOM 905 CA MET A 59 -12.323 0.084 -21.914 1.00 72.11 C ATOM 906 C MET A 59 -13.196 1.312 -21.648 1.00 3.25 C ATOM 907 O MET A 59 -14.395 1.185 -21.406 1.00 52.53 O ATOM 908 CB MET A 59 -12.516 -0.934 -20.788 1.00 11.41 C ATOM 909 CG MET A 59 -12.106 -2.337 -21.240 1.00 51.55 C ATOM 910 SD MET A 59 -12.814 -3.561 -20.151 1.00 40.42 S ATOM 911 CE MET A 59 -12.465 -2.808 -18.571 1.00 21.13 C ATOM 0 H MET A 59 -10.543 0.896 -21.164 1.00 60.10 H new ATOM 0 HA MET A 59 -12.624 -0.353 -22.866 1.00 72.11 H new ATOM 0 HB2 MET A 59 -11.924 -0.640 -19.922 1.00 11.41 H new ATOM 0 HB3 MET A 59 -13.560 -0.940 -20.473 1.00 11.41 H new ATOM 0 HG2 MET A 59 -12.441 -2.511 -22.263 1.00 51.55 H new ATOM 0 HG3 MET A 59 -11.020 -2.425 -21.241 1.00 51.55 H new ATOM 0 HE1 MET A 59 -11.837 -3.475 -17.981 1.00 21.13 H new ATOM 0 HE2 MET A 59 -11.945 -1.863 -18.725 1.00 21.13 H new ATOM 0 HE3 MET A 59 -13.400 -2.625 -18.041 1.00 21.13 H new ATOM 921 N VAL A 60 -12.559 2.473 -21.700 1.00 54.10 N ATOM 922 CA VAL A 60 -13.263 3.723 -21.467 1.00 45.23 C ATOM 923 C VAL A 60 -13.114 4.623 -22.695 1.00 42.35 C ATOM 924 O VAL A 60 -12.020 4.757 -23.243 1.00 34.12 O ATOM 925 CB VAL A 60 -12.754 4.378 -20.181 1.00 73.11 C ATOM 926 CG1 VAL A 60 -13.552 5.643 -19.858 1.00 23.12 C ATOM 927 CG2 VAL A 60 -12.792 3.392 -19.012 1.00 33.31 C ATOM 0 H VAL A 60 -11.564 2.574 -21.900 1.00 54.10 H new ATOM 0 HA VAL A 60 -14.328 3.541 -21.324 1.00 45.23 H new ATOM 0 HB VAL A 60 -11.716 4.668 -20.340 1.00 73.11 H new ATOM 0 HG11 VAL A 60 -13.170 6.089 -18.940 1.00 23.12 H new ATOM 0 HG12 VAL A 60 -13.452 6.356 -20.677 1.00 23.12 H new ATOM 0 HG13 VAL A 60 -14.603 5.387 -19.727 1.00 23.12 H new ATOM 0 HG21 VAL A 60 -12.425 3.882 -18.110 1.00 33.31 H new ATOM 0 HG22 VAL A 60 -13.817 3.057 -18.852 1.00 33.31 H new ATOM 0 HG23 VAL A 60 -12.161 2.533 -19.240 1.00 33.31 H new ATOM 937 N LYS A 61 -14.229 5.218 -23.093 1.00 33.44 N ATOM 938 CA LYS A 61 -14.237 6.101 -24.246 1.00 1.30 C ATOM 939 C LYS A 61 -13.934 7.530 -23.790 1.00 41.13 C ATOM 940 O LYS A 61 -14.470 7.991 -22.784 1.00 4.24 O ATOM 941 CB LYS A 61 -15.553 5.967 -25.015 1.00 44.12 C ATOM 942 CG LYS A 61 -15.384 5.059 -26.235 1.00 34.20 C ATOM 943 CD LYS A 61 -16.532 4.051 -26.330 1.00 43.15 C ATOM 944 CE LYS A 61 -17.767 4.686 -26.972 1.00 70.01 C ATOM 945 NZ LYS A 61 -17.588 4.804 -28.436 1.00 44.34 N ATOM 0 H LYS A 61 -15.134 5.105 -22.636 1.00 33.44 H new ATOM 0 HA LYS A 61 -13.454 5.817 -24.949 1.00 1.30 H new ATOM 0 HB2 LYS A 61 -16.322 5.561 -24.358 1.00 44.12 H new ATOM 0 HB3 LYS A 61 -15.894 6.952 -25.334 1.00 44.12 H new ATOM 0 HG2 LYS A 61 -15.350 5.664 -27.141 1.00 34.20 H new ATOM 0 HG3 LYS A 61 -14.434 4.529 -26.170 1.00 34.20 H new ATOM 0 HD2 LYS A 61 -16.216 3.188 -26.916 1.00 43.15 H new ATOM 0 HD3 LYS A 61 -16.783 3.685 -25.334 1.00 43.15 H new ATOM 0 HE2 LYS A 61 -18.648 4.082 -26.755 1.00 70.01 H new ATOM 0 HE3 LYS A 61 -17.942 5.672 -26.541 1.00 70.01 H new ATOM 0 HZ1 LYS A 61 -18.501 5.026 -28.881 1.00 44.34 H new ATOM 0 HZ2 LYS A 61 -16.908 5.564 -28.643 1.00 44.34 H new ATOM 0 HZ3 LYS A 61 -17.228 3.905 -28.815 1.00 44.34 H new ATOM 958 N GLY A 62 -13.076 8.191 -24.553 1.00 40.14 N ATOM 959 CA GLY A 62 -12.695 9.558 -24.241 1.00 13.13 C ATOM 960 C GLY A 62 -11.696 9.598 -23.083 1.00 31.24 C ATOM 961 O GLY A 62 -11.472 10.651 -22.487 1.00 63.45 O ATOM 0 H GLY A 62 -12.634 7.805 -25.387 1.00 40.14 H new ATOM 0 HA2 GLY A 62 -12.256 10.027 -25.121 1.00 13.13 H new ATOM 0 HA3 GLY A 62 -13.582 10.136 -23.981 1.00 13.13 H new ATOM 965 N TYR A 63 -11.123 8.438 -22.798 1.00 23.22 N ATOM 966 CA TYR A 63 -10.153 8.327 -21.722 1.00 23.33 C ATOM 967 C TYR A 63 -8.740 8.633 -22.223 1.00 60.11 C ATOM 968 O TYR A 63 -8.530 8.825 -23.420 1.00 31.42 O ATOM 969 CB TYR A 63 -10.210 6.872 -21.251 1.00 41.00 C ATOM 970 CG TYR A 63 -9.136 6.508 -20.224 1.00 60.31 C ATOM 971 CD1 TYR A 63 -7.896 6.075 -20.647 1.00 25.03 C ATOM 972 CD2 TYR A 63 -9.408 6.612 -18.875 1.00 23.32 C ATOM 973 CE1 TYR A 63 -6.885 5.732 -19.680 1.00 42.01 C ATOM 974 CE2 TYR A 63 -8.397 6.269 -17.908 1.00 60.32 C ATOM 975 CZ TYR A 63 -7.185 5.846 -18.359 1.00 34.24 C ATOM 976 OH TYR A 63 -6.231 5.522 -17.446 1.00 22.14 O ATOM 0 H TYR A 63 -11.312 7.567 -23.294 1.00 23.22 H new ATOM 0 HA TYR A 63 -10.382 9.034 -20.925 1.00 23.33 H new ATOM 0 HB2 TYR A 63 -11.192 6.679 -20.819 1.00 41.00 H new ATOM 0 HB3 TYR A 63 -10.108 6.217 -22.116 1.00 41.00 H new ATOM 0 HD1 TYR A 63 -7.684 5.993 -21.703 1.00 25.03 H new ATOM 0 HD2 TYR A 63 -10.379 6.951 -18.544 1.00 23.32 H new ATOM 0 HE1 TYR A 63 -5.910 5.392 -19.997 1.00 42.01 H new ATOM 0 HE2 TYR A 63 -8.596 6.346 -16.849 1.00 60.32 H new ATOM 0 HH TYR A 63 -6.317 6.105 -16.663 1.00 22.14 H new ATOM 986 N ALA A 64 -7.808 8.669 -21.282 1.00 44.25 N ATOM 987 CA ALA A 64 -6.421 8.949 -21.614 1.00 23.22 C ATOM 988 C ALA A 64 -5.608 9.073 -20.324 1.00 24.43 C ATOM 989 O ALA A 64 -6.166 9.309 -19.254 1.00 35.53 O ATOM 990 CB ALA A 64 -6.346 10.212 -22.474 1.00 2.14 C ATOM 0 H ALA A 64 -7.986 8.509 -20.290 1.00 44.25 H new ATOM 0 HA ALA A 64 -5.994 8.133 -22.196 1.00 23.22 H new ATOM 0 HB1 ALA A 64 -5.306 10.422 -22.723 1.00 2.14 H new ATOM 0 HB2 ALA A 64 -6.915 10.062 -23.391 1.00 2.14 H new ATOM 0 HB3 ALA A 64 -6.764 11.054 -21.922 1.00 2.14 H new ATOM 996 N PRO A 65 -4.266 8.903 -20.471 1.00 53.32 N ATOM 997 CA PRO A 65 -3.371 8.994 -19.331 1.00 24.43 C ATOM 998 C PRO A 65 -3.175 10.449 -18.901 1.00 63.11 C ATOM 999 O PRO A 65 -3.964 11.319 -19.266 1.00 1.22 O ATOM 1000 CB PRO A 65 -2.082 8.331 -19.789 1.00 61.12 C ATOM 1001 CG PRO A 65 -2.141 8.311 -21.308 1.00 22.11 C ATOM 1002 CD PRO A 65 -3.569 8.623 -21.723 1.00 74.40 C ATOM 0 HA PRO A 65 -3.767 8.497 -18.445 1.00 24.43 H new ATOM 0 HB2 PRO A 65 -1.212 8.886 -19.439 1.00 61.12 H new ATOM 0 HB3 PRO A 65 -1.998 7.321 -19.388 1.00 61.12 H new ATOM 0 HG2 PRO A 65 -1.453 9.045 -21.726 1.00 22.11 H new ATOM 0 HG3 PRO A 65 -1.837 7.336 -21.689 1.00 22.11 H new ATOM 0 HD2 PRO A 65 -3.607 9.478 -22.397 1.00 74.40 H new ATOM 0 HD3 PRO A 65 -4.021 7.782 -22.249 1.00 74.40 H new