USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 620 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 1 MET CE :methyl 153:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 ASN : amide:sc= -0.0563 K(o=-0.056,f=-1.1) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.0451 (180deg=-0.425) USER MOD Single : A 3 ASN : amide:sc= -0.0106 X(o=-0.011,f=0.019) USER MOD Single : A 6 MET CE :methyl -159:sc= -0.0196 (180deg=-0.228) USER MOD Single : A 10 TYR OH : rot -173:sc= 0.938 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.316 F(o=-4.1!,f=-0.32) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-2.1,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.344 -35.367 1.559 1.00 0.00 N ATOM 2 CA MET A 1 -3.626 -34.008 1.131 1.00 0.00 C ATOM 3 C MET A 1 -4.532 -33.293 2.136 1.00 0.00 C ATOM 4 O MET A 1 -5.706 -33.054 1.858 1.00 0.00 O ATOM 5 CB MET A 1 -4.305 -34.035 -0.240 1.00 0.00 C ATOM 6 CG MET A 1 -3.323 -34.468 -1.330 1.00 0.00 C ATOM 7 SD MET A 1 -4.163 -35.465 -2.548 1.00 0.00 S ATOM 8 CE MET A 1 -3.094 -35.205 -3.954 1.00 0.00 C ATOM 0 H1 MET A 1 -2.421 -35.665 1.183 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.323 -35.407 2.598 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.085 -36.004 1.203 1.00 0.00 H new ATOM 0 HA MET A 1 -2.684 -33.464 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.153 -34.720 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.700 -33.046 -0.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.885 -33.591 -1.806 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.503 -35.034 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.155 -36.064 -4.622 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.407 -34.308 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.066 -35.084 -3.612 1.00 0.00 H new ATOM 18 N GLU A 2 -3.953 -32.975 3.283 1.00 0.00 N ATOM 19 CA GLU A 2 -4.693 -32.292 4.332 1.00 0.00 C ATOM 20 C GLU A 2 -3.819 -31.222 4.988 1.00 0.00 C ATOM 21 O GLU A 2 -4.163 -30.700 6.048 1.00 0.00 O ATOM 22 CB GLU A 2 -5.217 -33.287 5.369 1.00 0.00 C ATOM 23 CG GLU A 2 -6.736 -33.429 5.275 1.00 0.00 C ATOM 24 CD GLU A 2 -7.203 -34.752 5.887 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.504 -35.321 6.739 1.00 0.00 O ATOM 26 OE2 GLU A 2 -8.336 -35.186 5.450 1.00 0.00 O ATOM 0 H GLU A 2 -2.979 -33.177 3.510 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.555 -31.800 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.747 -34.259 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.941 -32.954 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.215 -32.597 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.046 -33.378 4.231 1.00 0.00 H new ATOM 34 N ASN A 3 -2.707 -30.928 4.333 1.00 0.00 N ATOM 35 CA ASN A 3 -1.780 -29.929 4.841 1.00 0.00 C ATOM 36 C ASN A 3 -0.608 -29.786 3.868 1.00 0.00 C ATOM 37 O ASN A 3 0.544 -29.686 4.289 1.00 0.00 O ATOM 38 CB ASN A 3 -1.217 -30.342 6.202 1.00 0.00 C ATOM 39 CG ASN A 3 -1.222 -29.164 7.177 1.00 0.00 C ATOM 40 OD1 ASN A 3 -0.491 -28.199 7.029 1.00 0.00 O ATOM 41 ND2 ASN A 3 -2.083 -29.296 8.182 1.00 0.00 N ATOM 0 H ASN A 3 -2.426 -31.363 3.455 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.321 -28.989 4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.809 -31.160 6.612 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.200 -30.714 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.160 -28.563 8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.667 -30.130 8.247 1.00 0.00 H new ATOM 48 N LEU A 4 -0.942 -29.780 2.586 1.00 0.00 N ATOM 49 CA LEU A 4 0.068 -29.651 1.550 1.00 0.00 C ATOM 50 C LEU A 4 -0.608 -29.296 0.225 1.00 0.00 C ATOM 51 O LEU A 4 -0.151 -28.405 -0.491 1.00 0.00 O ATOM 52 CB LEU A 4 0.931 -30.913 1.481 1.00 0.00 C ATOM 53 CG LEU A 4 2.408 -30.699 1.148 1.00 0.00 C ATOM 54 CD1 LEU A 4 3.297 -31.057 2.340 1.00 0.00 C ATOM 55 CD2 LEU A 4 2.803 -31.469 -0.113 1.00 0.00 C ATOM 0 H LEU A 4 -1.898 -29.862 2.241 1.00 0.00 H new ATOM 0 HA LEU A 4 0.753 -28.837 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.866 -31.426 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.504 -31.581 0.733 1.00 0.00 H new ATOM 0 HG LEU A 4 2.561 -29.640 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.342 -30.896 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.036 -30.427 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.147 -32.104 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.858 -31.299 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.631 -32.534 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.202 -31.123 -0.954 1.00 0.00 H new ATOM 67 N ASN A 5 -1.687 -30.010 -0.062 1.00 0.00 N ATOM 68 CA ASN A 5 -2.432 -29.781 -1.289 1.00 0.00 C ATOM 69 C ASN A 5 -3.099 -28.406 -1.227 1.00 0.00 C ATOM 70 O ASN A 5 -3.159 -27.695 -2.228 1.00 0.00 O ATOM 71 CB ASN A 5 -3.528 -30.831 -1.472 1.00 0.00 C ATOM 72 CG ASN A 5 -3.821 -31.067 -2.955 1.00 0.00 C ATOM 73 OD1 ASN A 5 -3.218 -31.903 -3.608 1.00 0.00 O ATOM 74 ND2 ASN A 5 -4.777 -30.285 -3.449 1.00 0.00 N ATOM 0 H ASN A 5 -2.063 -30.747 0.534 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.733 -29.841 -2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.221 -31.767 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.437 -30.505 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.045 -30.365 -4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.242 -29.605 -2.847 1.00 0.00 H new ATOM 81 N MET A 6 -3.584 -28.073 -0.039 1.00 0.00 N ATOM 82 CA MET A 6 -4.245 -26.795 0.167 1.00 0.00 C ATOM 83 C MET A 6 -3.238 -25.716 0.571 1.00 0.00 C ATOM 84 O MET A 6 -3.529 -24.525 0.474 1.00 0.00 O ATOM 85 CB MET A 6 -5.305 -26.939 1.261 1.00 0.00 C ATOM 86 CG MET A 6 -4.654 -27.128 2.633 1.00 0.00 C ATOM 87 SD MET A 6 -5.168 -28.682 3.345 1.00 0.00 S ATOM 88 CE MET A 6 -6.899 -28.342 3.616 1.00 0.00 C ATOM 0 H MET A 6 -3.532 -28.665 0.790 1.00 0.00 H new ATOM 0 HA MET A 6 -4.715 -26.495 -0.770 1.00 0.00 H new ATOM 0 HB2 MET A 6 -5.941 -26.054 1.275 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.948 -27.790 1.039 1.00 0.00 H new ATOM 0 HG2 MET A 6 -3.569 -27.105 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.933 -26.306 3.293 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.290 -29.025 4.370 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.019 -27.314 3.960 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.447 -28.479 2.684 1.00 0.00 H new ATOM 98 N ASP A 7 -2.076 -26.172 1.014 1.00 0.00 N ATOM 99 CA ASP A 7 -1.026 -25.259 1.433 1.00 0.00 C ATOM 100 C ASP A 7 -0.338 -24.678 0.194 1.00 0.00 C ATOM 101 O ASP A 7 -0.035 -23.487 0.151 1.00 0.00 O ATOM 102 CB ASP A 7 0.033 -25.984 2.264 1.00 0.00 C ATOM 103 CG ASP A 7 -0.463 -26.538 3.602 1.00 0.00 C ATOM 104 OD1 ASP A 7 -1.643 -26.890 3.749 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.431 -26.603 4.530 1.00 0.00 O ATOM 0 H ASP A 7 -1.838 -27.161 1.092 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.482 -24.473 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.436 -26.807 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.857 -25.296 2.455 1.00 0.00 H new ATOM 111 N LEU A 8 -0.112 -25.547 -0.780 1.00 0.00 N ATOM 112 CA LEU A 8 0.534 -25.135 -2.015 1.00 0.00 C ATOM 113 C LEU A 8 -0.364 -24.135 -2.746 1.00 0.00 C ATOM 114 O LEU A 8 0.044 -23.003 -3.003 1.00 0.00 O ATOM 115 CB LEU A 8 0.908 -26.356 -2.857 1.00 0.00 C ATOM 116 CG LEU A 8 1.780 -26.083 -4.085 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.198 -26.620 -3.880 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.132 -26.642 -5.353 1.00 0.00 C ATOM 0 H LEU A 8 -0.365 -26.534 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 8 1.473 -24.624 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.429 -27.068 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.011 -26.839 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 8 1.860 -25.004 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.797 -26.413 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.650 -26.134 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.159 -27.696 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.772 -26.434 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.001 -27.719 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.160 -26.171 -5.503 1.00 0.00 H new ATOM 130 N LEU A 9 -1.568 -24.588 -3.059 1.00 0.00 N ATOM 131 CA LEU A 9 -2.527 -23.748 -3.755 1.00 0.00 C ATOM 132 C LEU A 9 -2.591 -22.380 -3.071 1.00 0.00 C ATOM 133 O LEU A 9 -2.369 -21.352 -3.708 1.00 0.00 O ATOM 134 CB LEU A 9 -3.883 -24.450 -3.854 1.00 0.00 C ATOM 135 CG LEU A 9 -4.913 -23.791 -4.775 1.00 0.00 C ATOM 136 CD1 LEU A 9 -5.719 -24.845 -5.538 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.816 -22.835 -3.993 1.00 0.00 C ATOM 0 H LEU A 9 -1.902 -25.527 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.207 -23.577 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.717 -25.471 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.310 -24.517 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.378 -23.196 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.444 -24.351 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.045 -25.450 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.243 -25.486 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.538 -22.380 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.345 -23.388 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.209 -22.055 -3.534 1.00 0.00 H new ATOM 149 N TYR A 10 -2.896 -22.412 -1.782 1.00 0.00 N ATOM 150 CA TYR A 10 -2.992 -21.189 -1.004 1.00 0.00 C ATOM 151 C TYR A 10 -1.778 -20.289 -1.246 1.00 0.00 C ATOM 152 O TYR A 10 -1.920 -19.162 -1.715 1.00 0.00 O ATOM 153 CB TYR A 10 -3.007 -21.622 0.463 1.00 0.00 C ATOM 154 CG TYR A 10 -3.084 -20.459 1.454 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.956 -19.712 1.730 1.00 0.00 C ATOM 156 CD2 TYR A 10 -4.281 -20.156 2.071 1.00 0.00 C ATOM 157 CE1 TYR A 10 -2.030 -18.617 2.663 1.00 0.00 C ATOM 158 CE2 TYR A 10 -4.353 -19.062 3.004 1.00 0.00 C ATOM 159 CZ TYR A 10 -3.224 -18.346 3.254 1.00 0.00 C ATOM 160 OH TYR A 10 -3.293 -17.312 4.135 1.00 0.00 O ATOM 0 H TYR A 10 -3.080 -23.267 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.883 -20.626 -1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.858 -22.283 0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.108 -22.203 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.019 -19.948 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.163 -20.740 1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.156 -18.024 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.283 -18.815 3.495 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.175 -17.304 4.561 1.00 0.00 H new ATOM 170 N MET A 11 -0.611 -20.823 -0.914 1.00 0.00 N ATOM 171 CA MET A 11 0.627 -20.081 -1.089 1.00 0.00 C ATOM 172 C MET A 11 0.715 -19.486 -2.496 1.00 0.00 C ATOM 173 O MET A 11 1.141 -18.344 -2.664 1.00 0.00 O ATOM 174 CB MET A 11 1.817 -21.014 -0.852 1.00 0.00 C ATOM 175 CG MET A 11 2.969 -20.271 -0.171 1.00 0.00 C ATOM 176 SD MET A 11 4.097 -21.440 0.567 1.00 0.00 S ATOM 177 CE MET A 11 5.356 -21.496 -0.696 1.00 0.00 C ATOM 0 H MET A 11 -0.497 -21.759 -0.525 1.00 0.00 H new ATOM 0 HA MET A 11 0.645 -19.263 -0.368 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.506 -21.856 -0.233 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.156 -21.425 -1.803 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.496 -19.655 -0.899 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.578 -19.598 0.593 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.144 -22.185 -0.394 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.916 -21.836 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.778 -20.500 -0.834 1.00 0.00 H new ATOM 187 N ALA A 12 0.307 -20.287 -3.469 1.00 0.00 N ATOM 188 CA ALA A 12 0.336 -19.853 -4.855 1.00 0.00 C ATOM 189 C ALA A 12 -0.490 -18.573 -5.002 1.00 0.00 C ATOM 190 O ALA A 12 -0.006 -17.576 -5.535 1.00 0.00 O ATOM 191 CB ALA A 12 -0.174 -20.982 -5.754 1.00 0.00 C ATOM 0 H ALA A 12 -0.045 -21.233 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 12 1.356 -19.625 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.152 -20.657 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.463 -21.858 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.196 -21.236 -5.474 1.00 0.00 H new ATOM 197 N ALA A 13 -1.723 -18.644 -4.520 1.00 0.00 N ATOM 198 CA ALA A 13 -2.620 -17.504 -4.591 1.00 0.00 C ATOM 199 C ALA A 13 -2.037 -16.350 -3.771 1.00 0.00 C ATOM 200 O ALA A 13 -1.660 -15.319 -4.327 1.00 0.00 O ATOM 201 CB ALA A 13 -4.011 -17.918 -4.106 1.00 0.00 C ATOM 0 H ALA A 13 -2.121 -19.473 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.722 -17.160 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.684 -17.063 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.393 -18.720 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.948 -18.267 -3.075 1.00 0.00 H new ATOM 207 N ALA A 14 -1.982 -16.562 -2.465 1.00 0.00 N ATOM 208 CA ALA A 14 -1.451 -15.554 -1.565 1.00 0.00 C ATOM 209 C ALA A 14 -0.225 -14.899 -2.204 1.00 0.00 C ATOM 210 O ALA A 14 -0.258 -13.719 -2.552 1.00 0.00 O ATOM 211 CB ALA A 14 -1.131 -16.193 -0.212 1.00 0.00 C ATOM 0 H ALA A 14 -2.297 -17.418 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.189 -14.771 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.732 -15.436 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.040 -16.617 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.392 -16.983 -0.348 1.00 0.00 H new ATOM 217 N VAL A 15 0.827 -15.693 -2.340 1.00 0.00 N ATOM 218 CA VAL A 15 2.061 -15.205 -2.932 1.00 0.00 C ATOM 219 C VAL A 15 1.729 -14.302 -4.122 1.00 0.00 C ATOM 220 O VAL A 15 2.260 -13.199 -4.236 1.00 0.00 O ATOM 221 CB VAL A 15 2.962 -16.383 -3.308 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.184 -15.907 -4.096 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.382 -17.170 -2.065 1.00 0.00 C ATOM 0 H VAL A 15 0.850 -16.671 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 15 2.618 -14.603 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 15 2.390 -17.053 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.808 -16.763 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.857 -15.411 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.758 -15.207 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.022 -18.002 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.929 -16.515 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.495 -17.555 -1.561 1.00 0.00 H new ATOM 233 N MET A 16 0.851 -14.805 -4.978 1.00 0.00 N ATOM 234 CA MET A 16 0.442 -14.058 -6.155 1.00 0.00 C ATOM 235 C MET A 16 -0.115 -12.686 -5.768 1.00 0.00 C ATOM 236 O MET A 16 0.212 -11.680 -6.395 1.00 0.00 O ATOM 237 CB MET A 16 -0.626 -14.848 -6.915 1.00 0.00 C ATOM 238 CG MET A 16 -0.126 -15.250 -8.303 1.00 0.00 C ATOM 239 SD MET A 16 -0.926 -16.757 -8.827 1.00 0.00 S ATOM 240 CE MET A 16 -1.595 -16.224 -10.394 1.00 0.00 C ATOM 0 H MET A 16 0.412 -15.720 -4.880 1.00 0.00 H new ATOM 0 HA MET A 16 1.316 -13.908 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.895 -15.740 -6.349 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.530 -14.246 -7.010 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.331 -14.453 -9.017 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.955 -15.390 -8.283 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.131 -17.050 -10.861 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.280 -15.392 -10.233 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.783 -15.904 -11.046 1.00 0.00 H new ATOM 250 N MET A 17 -0.948 -12.691 -4.738 1.00 0.00 N ATOM 251 CA MET A 17 -1.554 -11.460 -4.260 1.00 0.00 C ATOM 252 C MET A 17 -0.495 -10.510 -3.695 1.00 0.00 C ATOM 253 O MET A 17 -0.630 -9.292 -3.797 1.00 0.00 O ATOM 254 CB MET A 17 -2.580 -11.785 -3.172 1.00 0.00 C ATOM 255 CG MET A 17 -3.783 -12.527 -3.758 1.00 0.00 C ATOM 256 SD MET A 17 -5.068 -12.672 -2.528 1.00 0.00 S ATOM 257 CE MET A 17 -6.158 -11.363 -3.063 1.00 0.00 C ATOM 0 H MET A 17 -1.218 -13.528 -4.221 1.00 0.00 H new ATOM 0 HA MET A 17 -2.045 -10.969 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.114 -12.395 -2.398 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.914 -10.864 -2.695 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.161 -11.993 -4.630 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.480 -13.517 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.021 -11.314 -2.399 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.625 -10.412 -3.037 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.494 -11.563 -4.080 1.00 0.00 H new ATOM 267 N GLY A 18 0.536 -11.105 -3.112 1.00 0.00 N ATOM 268 CA GLY A 18 1.618 -10.328 -2.531 1.00 0.00 C ATOM 269 C GLY A 18 2.326 -9.492 -3.598 1.00 0.00 C ATOM 270 O GLY A 18 2.287 -8.262 -3.557 1.00 0.00 O ATOM 0 H GLY A 18 0.645 -12.116 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.224 -9.674 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.334 -10.996 -2.053 1.00 0.00 H new ATOM 274 N LEU A 19 2.958 -10.191 -4.530 1.00 0.00 N ATOM 275 CA LEU A 19 3.675 -9.528 -5.607 1.00 0.00 C ATOM 276 C LEU A 19 2.759 -8.488 -6.257 1.00 0.00 C ATOM 277 O LEU A 19 2.996 -7.287 -6.137 1.00 0.00 O ATOM 278 CB LEU A 19 4.232 -10.557 -6.591 1.00 0.00 C ATOM 279 CG LEU A 19 3.270 -11.664 -7.023 1.00 0.00 C ATOM 280 CD1 LEU A 19 2.747 -11.417 -8.439 1.00 0.00 C ATOM 281 CD2 LEU A 19 3.921 -13.042 -6.885 1.00 0.00 C ATOM 0 H LEU A 19 2.988 -11.210 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 19 4.541 -8.993 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.571 -10.030 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.110 -11.021 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 19 2.409 -11.646 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.065 -12.220 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.219 -10.464 -8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.584 -11.391 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.215 -13.811 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.811 -13.088 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.201 -13.209 -5.845 1.00 0.00 H new ATOM 293 N ALA A 20 1.734 -8.987 -6.931 1.00 0.00 N ATOM 294 CA ALA A 20 0.784 -8.115 -7.601 1.00 0.00 C ATOM 295 C ALA A 20 0.498 -6.903 -6.713 1.00 0.00 C ATOM 296 O ALA A 20 0.764 -5.766 -7.104 1.00 0.00 O ATOM 297 CB ALA A 20 -0.484 -8.904 -7.936 1.00 0.00 C ATOM 0 H ALA A 20 1.540 -9.984 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 20 1.197 -7.746 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.197 -8.250 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.231 -9.738 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.928 -9.287 -7.017 1.00 0.00 H new ATOM 303 N ALA A 21 -0.040 -7.184 -5.536 1.00 0.00 N ATOM 304 CA ALA A 21 -0.365 -6.130 -4.590 1.00 0.00 C ATOM 305 C ALA A 21 0.779 -5.115 -4.552 1.00 0.00 C ATOM 306 O ALA A 21 0.596 -3.953 -4.913 1.00 0.00 O ATOM 307 CB ALA A 21 -0.645 -6.744 -3.217 1.00 0.00 C ATOM 0 H ALA A 21 -0.259 -8.127 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.266 -5.601 -4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.889 -5.953 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.484 -7.436 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.238 -7.281 -2.872 1.00 0.00 H new ATOM 313 N ILE A 22 1.935 -5.589 -4.111 1.00 0.00 N ATOM 314 CA ILE A 22 3.108 -4.738 -4.021 1.00 0.00 C ATOM 315 C ILE A 22 3.218 -3.893 -5.291 1.00 0.00 C ATOM 316 O ILE A 22 3.497 -2.696 -5.222 1.00 0.00 O ATOM 317 CB ILE A 22 4.356 -5.574 -3.729 1.00 0.00 C ATOM 318 CG1 ILE A 22 4.381 -6.031 -2.269 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.627 -4.816 -4.114 1.00 0.00 C ATOM 320 CD1 ILE A 22 5.030 -7.410 -2.137 1.00 0.00 C ATOM 0 H ILE A 22 2.084 -6.553 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 22 3.013 -4.046 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 22 4.317 -6.471 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.931 -5.307 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.364 -6.065 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.499 -5.433 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.604 -4.584 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.686 -3.890 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.035 -7.711 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.464 -8.136 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.054 -7.367 -2.507 1.00 0.00 H new ATOM 332 N GLY A 23 2.994 -4.547 -6.421 1.00 0.00 N ATOM 333 CA GLY A 23 3.064 -3.870 -7.705 1.00 0.00 C ATOM 334 C GLY A 23 2.249 -2.575 -7.688 1.00 0.00 C ATOM 335 O GLY A 23 2.810 -1.483 -7.762 1.00 0.00 O ATOM 0 H GLY A 23 2.764 -5.539 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.103 -3.647 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.690 -4.529 -8.488 1.00 0.00 H new ATOM 339 N ASP A 24 0.938 -2.741 -7.588 1.00 0.00 N ATOM 340 CA ASP A 24 0.040 -1.599 -7.560 1.00 0.00 C ATOM 341 C ASP A 24 0.403 -0.699 -6.377 1.00 0.00 C ATOM 342 O ASP A 24 0.721 0.476 -6.560 1.00 0.00 O ATOM 343 CB ASP A 24 -1.413 -2.045 -7.386 1.00 0.00 C ATOM 344 CG ASP A 24 -2.420 -1.339 -8.297 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.210 -1.228 -9.515 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.470 -0.887 -7.701 1.00 0.00 O ATOM 0 H ASP A 24 0.477 -3.649 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 24 0.143 -1.066 -8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.472 -3.118 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.706 -1.880 -6.349 1.00 0.00 H new ATOM 352 N ALA A 25 0.345 -1.284 -5.190 1.00 0.00 N ATOM 353 CA ALA A 25 0.664 -0.549 -3.978 1.00 0.00 C ATOM 354 C ALA A 25 1.880 0.343 -4.232 1.00 0.00 C ATOM 355 O ALA A 25 2.017 1.401 -3.620 1.00 0.00 O ATOM 356 CB ALA A 25 0.893 -1.535 -2.829 1.00 0.00 C ATOM 0 H ALA A 25 0.082 -2.258 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.165 0.099 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.132 -0.984 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.010 -2.124 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.720 -2.199 -3.079 1.00 0.00 H new ATOM 362 N ILE A 26 2.734 -0.118 -5.135 1.00 0.00 N ATOM 363 CA ILE A 26 3.934 0.625 -5.478 1.00 0.00 C ATOM 364 C ILE A 26 3.569 1.768 -6.426 1.00 0.00 C ATOM 365 O ILE A 26 3.938 2.917 -6.192 1.00 0.00 O ATOM 366 CB ILE A 26 5.006 -0.315 -6.032 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.935 -0.806 -4.919 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.780 0.348 -7.174 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.302 -1.201 -5.479 1.00 0.00 C ATOM 0 H ILE A 26 2.618 -0.997 -5.639 1.00 0.00 H new ATOM 0 HA ILE A 26 4.369 1.077 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 26 4.509 -1.192 -6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.057 -0.023 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.484 -1.661 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.536 -0.342 -7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.091 0.605 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.265 1.253 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.942 -1.546 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.179 -2.001 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.761 -0.338 -5.961 1.00 0.00 H new ATOM 381 N GLY A 27 2.846 1.412 -7.479 1.00 0.00 N ATOM 382 CA GLY A 27 2.426 2.394 -8.465 1.00 0.00 C ATOM 383 C GLY A 27 2.137 3.744 -7.804 1.00 0.00 C ATOM 384 O GLY A 27 2.576 4.785 -8.293 1.00 0.00 O ATOM 0 H GLY A 27 2.541 0.458 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.204 2.513 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.534 2.039 -8.981 1.00 0.00 H new ATOM 388 N ILE A 28 1.401 3.684 -6.705 1.00 0.00 N ATOM 389 CA ILE A 28 1.049 4.889 -5.973 1.00 0.00 C ATOM 390 C ILE A 28 2.263 5.371 -5.177 1.00 0.00 C ATOM 391 O ILE A 28 2.604 6.553 -5.212 1.00 0.00 O ATOM 392 CB ILE A 28 -0.195 4.651 -5.114 1.00 0.00 C ATOM 393 CG1 ILE A 28 -1.057 3.529 -5.698 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.988 5.945 -4.926 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.784 2.202 -4.987 1.00 0.00 C ATOM 0 H ILE A 28 1.038 2.820 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 28 0.783 5.689 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 28 0.129 4.327 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.111 3.788 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.851 3.424 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.867 5.747 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.361 6.688 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.303 6.323 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.409 1.421 -5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.266 1.934 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.014 2.303 -3.926 1.00 0.00 H new ATOM 407 N GLY A 29 2.883 4.431 -4.478 1.00 0.00 N ATOM 408 CA GLY A 29 4.053 4.745 -3.675 1.00 0.00 C ATOM 409 C GLY A 29 5.052 5.591 -4.467 1.00 0.00 C ATOM 410 O GLY A 29 5.455 6.663 -4.019 1.00 0.00 O ATOM 0 H GLY A 29 2.597 3.452 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.748 5.282 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.532 3.822 -3.348 1.00 0.00 H new ATOM 414 N ILE A 30 5.421 5.077 -5.631 1.00 0.00 N ATOM 415 CA ILE A 30 6.365 5.773 -6.489 1.00 0.00 C ATOM 416 C ILE A 30 5.737 7.080 -6.977 1.00 0.00 C ATOM 417 O ILE A 30 6.440 8.064 -7.199 1.00 0.00 O ATOM 418 CB ILE A 30 6.834 4.856 -7.622 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.730 3.738 -7.086 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.521 5.660 -8.728 1.00 0.00 C ATOM 421 CD1 ILE A 30 9.054 4.297 -6.563 1.00 0.00 C ATOM 0 H ILE A 30 5.084 4.188 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 30 7.263 6.039 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 30 5.957 4.383 -8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.215 3.207 -6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.925 3.013 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.845 4.985 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.821 6.390 -9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.387 6.178 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.671 3.480 -6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.578 4.807 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.857 5.003 -5.756 1.00 0.00 H new ATOM 433 N LEU A 31 4.422 7.047 -7.128 1.00 0.00 N ATOM 434 CA LEU A 31 3.692 8.218 -7.585 1.00 0.00 C ATOM 435 C LEU A 31 3.950 9.381 -6.626 1.00 0.00 C ATOM 436 O LEU A 31 4.230 10.498 -7.060 1.00 0.00 O ATOM 437 CB LEU A 31 2.209 7.887 -7.765 1.00 0.00 C ATOM 438 CG LEU A 31 1.581 8.321 -9.091 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.159 7.774 -9.231 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.627 9.843 -9.248 1.00 0.00 C ATOM 0 H LEU A 31 3.842 6.228 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 31 4.048 8.530 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.083 6.809 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.652 8.353 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 31 2.171 7.895 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.263 8.098 -10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.183 6.685 -9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.457 8.149 -8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.174 10.125 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.076 10.310 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.663 10.180 -9.226 1.00 0.00 H new ATOM 452 N GLY A 32 3.848 9.080 -5.340 1.00 0.00 N ATOM 453 CA GLY A 32 4.068 10.087 -4.315 1.00 0.00 C ATOM 454 C GLY A 32 5.389 10.823 -4.545 1.00 0.00 C ATOM 455 O GLY A 32 5.478 12.030 -4.323 1.00 0.00 O ATOM 0 H GLY A 32 3.616 8.153 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.244 10.801 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.077 9.615 -3.332 1.00 0.00 H new ATOM 459 N GLY A 33 6.383 10.067 -4.987 1.00 0.00 N ATOM 460 CA GLY A 33 7.695 10.633 -5.250 1.00 0.00 C ATOM 461 C GLY A 33 7.696 11.435 -6.553 1.00 0.00 C ATOM 462 O GLY A 33 8.278 12.516 -6.621 1.00 0.00 O ATOM 0 H GLY A 33 6.306 9.066 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.989 11.278 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.434 9.834 -5.310 1.00 0.00 H new ATOM 466 N LYS A 34 7.036 10.874 -7.556 1.00 0.00 N ATOM 467 CA LYS A 34 6.954 11.523 -8.853 1.00 0.00 C ATOM 468 C LYS A 34 6.023 12.734 -8.755 1.00 0.00 C ATOM 469 O LYS A 34 5.895 13.502 -9.706 1.00 0.00 O ATOM 470 CB LYS A 34 6.541 10.517 -9.929 1.00 0.00 C ATOM 471 CG LYS A 34 7.610 10.409 -11.019 1.00 0.00 C ATOM 472 CD LYS A 34 8.769 9.519 -10.565 1.00 0.00 C ATOM 473 CE LYS A 34 9.713 9.212 -11.728 1.00 0.00 C ATOM 474 NZ LYS A 34 10.731 8.218 -11.320 1.00 0.00 N ATOM 0 H LYS A 34 6.553 9.977 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 34 7.933 11.896 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.380 9.539 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.594 10.823 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.168 10.001 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.985 11.402 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.320 10.014 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.378 8.588 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.143 8.831 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.202 10.128 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.364 8.021 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.286 8.595 -10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.260 7.339 -11.027 1.00 0.00 H new ATOM 488 N PHE A 35 5.399 12.866 -7.593 1.00 0.00 N ATOM 489 CA PHE A 35 4.485 13.972 -7.357 1.00 0.00 C ATOM 490 C PHE A 35 5.220 15.172 -6.757 1.00 0.00 C ATOM 491 O PHE A 35 4.829 16.317 -6.977 1.00 0.00 O ATOM 492 CB PHE A 35 3.435 13.479 -6.360 1.00 0.00 C ATOM 493 CG PHE A 35 2.061 14.131 -6.528 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.511 14.245 -7.766 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.392 14.596 -5.440 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.236 14.851 -7.923 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.118 15.202 -5.596 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.434 15.317 -6.834 1.00 0.00 C ATOM 0 H PHE A 35 5.508 12.227 -6.806 1.00 0.00 H new ATOM 0 HA PHE A 35 4.034 14.290 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.328 12.399 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.794 13.667 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.043 13.875 -8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.830 14.504 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.202 14.942 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.413 15.572 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.403 15.778 -6.953 1.00 0.00 H new ATOM 508 N LEU A 36 6.269 14.868 -6.008 1.00 0.00 N ATOM 509 CA LEU A 36 7.062 15.908 -5.373 1.00 0.00 C ATOM 510 C LEU A 36 7.511 16.917 -6.431 1.00 0.00 C ATOM 511 O LEU A 36 7.339 18.123 -6.257 1.00 0.00 O ATOM 512 CB LEU A 36 8.216 15.293 -4.580 1.00 0.00 C ATOM 513 CG LEU A 36 8.029 15.228 -3.064 1.00 0.00 C ATOM 514 CD1 LEU A 36 7.949 16.631 -2.461 1.00 0.00 C ATOM 515 CD2 LEU A 36 6.811 14.377 -2.697 1.00 0.00 C ATOM 0 H LEU A 36 6.589 13.917 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 36 6.462 16.454 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.385 14.281 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.120 15.864 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 36 8.904 14.741 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.816 16.556 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.870 17.173 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.104 17.166 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.701 14.347 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.916 14.813 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.948 13.364 -3.076 1.00 0.00 H new ATOM 527 N GLU A 37 8.079 16.389 -7.505 1.00 0.00 N ATOM 528 CA GLU A 37 8.556 17.229 -8.591 1.00 0.00 C ATOM 529 C GLU A 37 7.385 17.972 -9.239 1.00 0.00 C ATOM 530 O GLU A 37 7.490 19.160 -9.540 1.00 0.00 O ATOM 531 CB GLU A 37 9.322 16.404 -9.626 1.00 0.00 C ATOM 532 CG GLU A 37 10.830 16.483 -9.381 1.00 0.00 C ATOM 533 CD GLU A 37 11.330 15.242 -8.637 1.00 0.00 C ATOM 534 OE1 GLU A 37 10.860 14.127 -8.906 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.242 15.467 -7.753 1.00 0.00 O ATOM 0 H GLU A 37 8.220 15.389 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 37 9.246 17.966 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.996 15.365 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.093 16.767 -10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.352 16.576 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.062 17.377 -8.802 1.00 0.00 H new ATOM 543 N GLY A 38 6.297 17.241 -9.434 1.00 0.00 N ATOM 544 CA GLY A 38 5.109 17.816 -10.041 1.00 0.00 C ATOM 545 C GLY A 38 4.584 18.991 -9.213 1.00 0.00 C ATOM 546 O GLY A 38 4.206 20.024 -9.764 1.00 0.00 O ATOM 0 H GLY A 38 6.214 16.256 -9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.339 18.153 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.335 17.053 -10.128 1.00 0.00 H new ATOM 550 N ALA A 39 4.578 18.795 -7.903 1.00 0.00 N ATOM 551 CA ALA A 39 4.105 19.825 -6.993 1.00 0.00 C ATOM 552 C ALA A 39 5.270 20.747 -6.627 1.00 0.00 C ATOM 553 O ALA A 39 5.165 21.544 -5.696 1.00 0.00 O ATOM 554 CB ALA A 39 3.471 19.170 -5.766 1.00 0.00 C ATOM 0 H ALA A 39 4.893 17.938 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 39 3.337 20.436 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.116 19.942 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.632 18.548 -6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.212 18.551 -5.260 1.00 0.00 H new ATOM 560 N ALA A 40 6.353 20.608 -7.377 1.00 0.00 N ATOM 561 CA ALA A 40 7.535 21.419 -7.143 1.00 0.00 C ATOM 562 C ALA A 40 7.411 22.730 -7.920 1.00 0.00 C ATOM 563 O ALA A 40 8.160 23.675 -7.675 1.00 0.00 O ATOM 564 CB ALA A 40 8.784 20.625 -7.533 1.00 0.00 C ATOM 0 H ALA A 40 6.437 19.945 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 40 7.625 21.670 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.671 21.233 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.841 19.718 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.730 20.358 -8.588 1.00 0.00 H new ATOM 570 N ARG A 41 6.460 22.747 -8.842 1.00 0.00 N ATOM 571 CA ARG A 41 6.228 23.928 -9.658 1.00 0.00 C ATOM 572 C ARG A 41 5.488 24.995 -8.848 1.00 0.00 C ATOM 573 O ARG A 41 5.697 26.189 -9.052 1.00 0.00 O ATOM 574 CB ARG A 41 5.411 23.584 -10.904 1.00 0.00 C ATOM 575 CG ARG A 41 6.318 23.404 -12.122 1.00 0.00 C ATOM 576 CD ARG A 41 6.392 21.934 -12.539 1.00 0.00 C ATOM 577 NE ARG A 41 5.369 21.647 -13.569 1.00 0.00 N ATOM 578 CZ ARG A 41 5.553 21.836 -14.893 1.00 0.00 C ATOM 579 NH1 ARG A 41 6.727 22.313 -15.360 1.00 0.00 N ATOM 580 NH2 ARG A 41 4.569 21.547 -15.724 1.00 0.00 N ATOM 0 H ARG A 41 5.841 21.962 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 41 7.199 24.313 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.844 22.670 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.687 24.376 -11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.941 24.002 -12.952 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.318 23.771 -11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.385 21.708 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.236 21.293 -11.671 1.00 0.00 H new ATOM 0 HE ARG A 41 4.468 21.283 -13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.482 22.533 -14.711 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.858 22.453 -16.362 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.686 21.187 -15.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.692 21.684 -16.727 1.00 0.00 H new ATOM 594 N GLN A 42 4.637 24.525 -7.948 1.00 0.00 N ATOM 595 CA GLN A 42 3.865 25.423 -7.107 1.00 0.00 C ATOM 596 C GLN A 42 4.060 25.070 -5.631 1.00 0.00 C ATOM 597 O GLN A 42 3.782 23.946 -5.216 1.00 0.00 O ATOM 598 CB GLN A 42 2.383 25.391 -7.487 1.00 0.00 C ATOM 599 CG GLN A 42 1.887 23.951 -7.635 1.00 0.00 C ATOM 600 CD GLN A 42 1.576 23.626 -9.098 1.00 0.00 C ATOM 601 OE1 GLN A 42 2.656 23.446 -9.852 1.00 0.00 O flip ATOM 602 NE2 GLN A 42 0.432 23.543 -9.512 1.00 0.00 N flip ATOM 0 H GLN A 42 4.465 23.533 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 42 4.226 26.439 -7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.797 25.905 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.232 25.930 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.643 23.262 -7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.993 23.806 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.352 23.693 -8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.259 23.323 -10.493 1.00 0.00 H new ATOM 611 N PRO A 43 4.550 26.077 -4.860 1.00 0.00 N ATOM 612 CA PRO A 43 4.788 25.883 -3.440 1.00 0.00 C ATOM 613 C PRO A 43 3.471 25.881 -2.660 1.00 0.00 C ATOM 614 O PRO A 43 3.469 25.742 -1.437 1.00 0.00 O ATOM 615 CB PRO A 43 5.713 27.020 -3.037 1.00 0.00 C ATOM 616 CG PRO A 43 5.589 28.067 -4.131 1.00 0.00 C ATOM 617 CD PRO A 43 4.891 27.420 -5.317 1.00 0.00 C ATOM 0 HA PRO A 43 5.244 24.918 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.427 27.431 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.742 26.672 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.020 28.926 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.573 28.435 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.000 27.978 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.543 27.387 -6.190 1.00 0.00 H new ATOM 625 N ASP A 44 2.382 26.034 -3.399 1.00 0.00 N ATOM 626 CA ASP A 44 1.062 26.050 -2.792 1.00 0.00 C ATOM 627 C ASP A 44 0.463 24.643 -2.846 1.00 0.00 C ATOM 628 O ASP A 44 -0.712 24.452 -2.534 1.00 0.00 O ATOM 629 CB ASP A 44 0.121 26.993 -3.546 1.00 0.00 C ATOM 630 CG ASP A 44 -0.368 28.199 -2.740 1.00 0.00 C ATOM 631 OD1 ASP A 44 0.229 29.285 -2.790 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.422 27.987 -2.028 1.00 0.00 O ATOM 0 H ASP A 44 2.387 26.148 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 44 1.168 26.392 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.632 27.354 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.746 26.424 -3.883 1.00 0.00 H new ATOM 638 N LEU A 45 1.298 23.695 -3.243 1.00 0.00 N ATOM 639 CA LEU A 45 0.866 22.310 -3.341 1.00 0.00 C ATOM 640 C LEU A 45 1.902 21.408 -2.667 1.00 0.00 C ATOM 641 O LEU A 45 1.839 20.186 -2.790 1.00 0.00 O ATOM 642 CB LEU A 45 0.584 21.939 -4.799 1.00 0.00 C ATOM 643 CG LEU A 45 -0.883 21.987 -5.231 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.214 23.323 -5.900 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.230 20.796 -6.127 1.00 0.00 C ATOM 0 H LEU A 45 2.271 23.858 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.076 22.166 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.153 22.611 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.962 20.932 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.505 21.911 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.263 23.331 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.030 24.137 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.586 23.454 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.278 20.854 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.603 20.816 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.057 19.868 -5.582 1.00 0.00 H new ATOM 657 N ILE A 46 2.829 22.046 -1.968 1.00 0.00 N ATOM 658 CA ILE A 46 3.876 21.316 -1.273 1.00 0.00 C ATOM 659 C ILE A 46 3.299 20.688 -0.004 1.00 0.00 C ATOM 660 O ILE A 46 3.440 19.488 0.219 1.00 0.00 O ATOM 661 CB ILE A 46 5.082 22.223 -1.017 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.158 22.019 -2.087 1.00 0.00 C ATOM 663 CG2 ILE A 46 5.631 22.019 0.395 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.298 23.026 -1.916 1.00 0.00 C ATOM 0 H ILE A 46 2.877 23.060 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 46 4.246 20.499 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 46 4.752 23.259 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.551 21.004 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.717 22.128 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.487 22.675 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.856 22.254 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.942 20.982 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.049 22.860 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.905 24.039 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.753 22.897 -0.934 1.00 0.00 H new ATOM 676 N PRO A 47 2.643 21.552 0.817 1.00 0.00 N ATOM 677 CA PRO A 47 2.043 21.095 2.059 1.00 0.00 C ATOM 678 C PRO A 47 0.753 20.316 1.791 1.00 0.00 C ATOM 679 O PRO A 47 0.100 19.850 2.723 1.00 0.00 O ATOM 680 CB PRO A 47 1.815 22.357 2.874 1.00 0.00 C ATOM 681 CG PRO A 47 1.864 23.509 1.883 1.00 0.00 C ATOM 682 CD PRO A 47 2.455 22.981 0.586 1.00 0.00 C ATOM 0 HA PRO A 47 2.680 20.396 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.853 22.323 3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.581 22.470 3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.864 23.909 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.471 24.325 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.786 23.161 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.400 23.472 0.353 1.00 0.00 H new ATOM 690 N LEU A 48 0.424 20.200 0.512 1.00 0.00 N ATOM 691 CA LEU A 48 -0.775 19.486 0.110 1.00 0.00 C ATOM 692 C LEU A 48 -0.392 18.088 -0.379 1.00 0.00 C ATOM 693 O LEU A 48 -0.915 17.089 0.112 1.00 0.00 O ATOM 694 CB LEU A 48 -1.565 20.302 -0.917 1.00 0.00 C ATOM 695 CG LEU A 48 -2.645 21.226 -0.351 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.794 20.420 0.256 1.00 0.00 C ATOM 697 CD2 LEU A 48 -2.049 22.217 0.651 1.00 0.00 C ATOM 0 H LEU A 48 0.967 20.589 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.443 19.354 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.862 20.906 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.036 19.611 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.060 21.809 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.548 21.101 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.242 19.789 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.413 19.794 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.838 22.862 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.591 21.670 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.293 22.826 0.155 1.00 0.00 H new ATOM 709 N LEU A 49 0.520 18.061 -1.341 1.00 0.00 N ATOM 710 CA LEU A 49 0.980 16.802 -1.902 1.00 0.00 C ATOM 711 C LEU A 49 1.773 16.036 -0.842 1.00 0.00 C ATOM 712 O LEU A 49 1.731 14.808 -0.797 1.00 0.00 O ATOM 713 CB LEU A 49 1.758 17.045 -3.195 1.00 0.00 C ATOM 714 CG LEU A 49 3.262 16.772 -3.135 1.00 0.00 C ATOM 715 CD1 LEU A 49 3.809 16.402 -4.516 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.010 17.957 -2.521 1.00 0.00 C ATOM 0 H LEU A 49 0.952 18.891 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 49 0.132 16.176 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.327 16.421 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.609 18.082 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 49 3.427 15.914 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.880 16.213 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.306 15.506 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.631 17.224 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.077 17.737 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.840 18.847 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.646 18.132 -1.509 1.00 0.00 H new ATOM 728 N ARG A 50 2.477 16.794 -0.012 1.00 0.00 N ATOM 729 CA ARG A 50 3.279 16.201 1.044 1.00 0.00 C ATOM 730 C ARG A 50 2.400 15.346 1.961 1.00 0.00 C ATOM 731 O ARG A 50 2.487 14.120 1.942 1.00 0.00 O ATOM 732 CB ARG A 50 3.975 17.279 1.877 1.00 0.00 C ATOM 733 CG ARG A 50 4.798 16.654 3.005 1.00 0.00 C ATOM 734 CD ARG A 50 5.008 17.650 4.147 1.00 0.00 C ATOM 735 NE ARG A 50 6.166 18.522 3.852 1.00 0.00 N ATOM 736 CZ ARG A 50 7.452 18.107 3.874 1.00 0.00 C ATOM 737 NH1 ARG A 50 7.754 16.827 4.178 1.00 0.00 N ATOM 738 NH2 ARG A 50 8.408 18.973 3.592 1.00 0.00 N ATOM 0 H ARG A 50 2.508 17.813 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 50 4.037 15.575 0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.624 17.876 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.231 17.956 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.291 15.766 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.764 16.329 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.112 18.255 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.175 17.114 5.082 1.00 0.00 H new ATOM 0 HE ARG A 50 5.982 19.498 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.009 16.165 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.727 16.522 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.170 19.938 3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.384 18.677 3.604 1.00 0.00 H new ATOM 752 N THR A 51 1.575 16.028 2.741 1.00 0.00 N ATOM 753 CA THR A 51 0.681 15.347 3.663 1.00 0.00 C ATOM 754 C THR A 51 0.095 14.094 3.009 1.00 0.00 C ATOM 755 O THR A 51 0.162 13.005 3.576 1.00 0.00 O ATOM 756 CB THR A 51 -0.381 16.349 4.118 1.00 0.00 C ATOM 757 OG1 THR A 51 0.286 17.141 5.097 1.00 0.00 O ATOM 758 CG2 THR A 51 -1.521 15.683 4.891 1.00 0.00 C ATOM 0 H THR A 51 1.506 17.046 2.754 1.00 0.00 H new ATOM 0 HA THR A 51 1.215 14.995 4.546 1.00 0.00 H new ATOM 0 HB THR A 51 -0.786 16.868 3.249 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.330 17.819 5.445 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.247 16.438 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.008 14.943 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.121 15.192 5.778 1.00 0.00 H new ATOM 766 N GLN A 52 -0.466 14.291 1.824 1.00 0.00 N ATOM 767 CA GLN A 52 -1.064 13.190 1.088 1.00 0.00 C ATOM 768 C GLN A 52 -0.074 12.029 0.972 1.00 0.00 C ATOM 769 O GLN A 52 -0.325 10.941 1.485 1.00 0.00 O ATOM 770 CB GLN A 52 -1.536 13.648 -0.294 1.00 0.00 C ATOM 771 CG GLN A 52 -3.035 13.959 -0.285 1.00 0.00 C ATOM 772 CD GLN A 52 -3.500 14.454 -1.656 1.00 0.00 C ATOM 773 OE1 GLN A 52 -4.119 15.496 -1.791 1.00 0.00 O ATOM 774 NE2 GLN A 52 -3.169 13.649 -2.662 1.00 0.00 N ATOM 0 H GLN A 52 -0.519 15.196 1.356 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.938 12.842 1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.979 14.534 -0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.326 12.872 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.594 13.065 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.249 14.715 0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.649 12.791 -2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.435 13.890 -3.617 1.00 0.00 H new ATOM 783 N PHE A 53 1.032 12.302 0.294 1.00 0.00 N ATOM 784 CA PHE A 53 2.061 11.294 0.104 1.00 0.00 C ATOM 785 C PHE A 53 2.216 10.426 1.353 1.00 0.00 C ATOM 786 O PHE A 53 1.983 9.220 1.309 1.00 0.00 O ATOM 787 CB PHE A 53 3.373 12.038 -0.153 1.00 0.00 C ATOM 788 CG PHE A 53 4.579 11.119 -0.360 1.00 0.00 C ATOM 789 CD1 PHE A 53 4.434 9.949 -1.037 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.796 11.472 0.135 1.00 0.00 C ATOM 791 CE1 PHE A 53 5.552 9.096 -1.229 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.915 10.620 -0.058 1.00 0.00 C ATOM 793 CZ PHE A 53 6.770 9.449 -0.736 1.00 0.00 C ATOM 0 H PHE A 53 1.237 13.207 -0.130 1.00 0.00 H new ATOM 0 HA PHE A 53 1.794 10.641 -0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.254 12.669 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.574 12.700 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.468 9.668 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.911 12.400 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.436 8.167 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.882 10.901 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.621 8.800 -0.883 1.00 0.00 H new ATOM 803 N PHE A 54 2.609 11.075 2.440 1.00 0.00 N ATOM 804 CA PHE A 54 2.798 10.377 3.701 1.00 0.00 C ATOM 805 C PHE A 54 1.736 9.292 3.892 1.00 0.00 C ATOM 806 O PHE A 54 2.064 8.115 4.029 1.00 0.00 O ATOM 807 CB PHE A 54 2.654 11.417 4.814 1.00 0.00 C ATOM 808 CG PHE A 54 3.381 11.048 6.108 1.00 0.00 C ATOM 809 CD1 PHE A 54 3.302 9.781 6.595 1.00 0.00 C ATOM 810 CD2 PHE A 54 4.107 11.988 6.772 1.00 0.00 C ATOM 811 CE1 PHE A 54 3.978 9.439 7.796 1.00 0.00 C ATOM 812 CE2 PHE A 54 4.782 11.647 7.974 1.00 0.00 C ATOM 813 CZ PHE A 54 4.703 10.379 8.460 1.00 0.00 C ATOM 0 H PHE A 54 2.802 12.076 2.473 1.00 0.00 H new ATOM 0 HA PHE A 54 3.776 9.897 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.035 12.373 4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.595 11.557 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.725 9.035 6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.170 12.994 6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.916 8.432 8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.357 12.393 8.502 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.216 10.118 9.374 1.00 0.00 H new ATOM 823 N ILE A 55 0.485 9.728 3.893 1.00 0.00 N ATOM 824 CA ILE A 55 -0.628 8.809 4.066 1.00 0.00 C ATOM 825 C ILE A 55 -0.566 7.732 2.980 1.00 0.00 C ATOM 826 O ILE A 55 -0.651 6.542 3.277 1.00 0.00 O ATOM 827 CB ILE A 55 -1.953 9.572 4.099 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.044 10.458 5.344 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.140 8.614 3.990 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.216 11.436 5.236 1.00 0.00 C ATOM 0 H ILE A 55 0.217 10.705 3.777 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.556 8.300 5.027 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.990 10.230 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.166 9.835 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.114 11.012 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.070 9.182 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.078 8.063 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.120 7.913 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.258 12.054 6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.079 12.074 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.147 10.878 5.135 1.00 0.00 H new ATOM 842 N VAL A 56 -0.418 8.189 1.746 1.00 0.00 N ATOM 843 CA VAL A 56 -0.343 7.280 0.615 1.00 0.00 C ATOM 844 C VAL A 56 0.641 6.153 0.936 1.00 0.00 C ATOM 845 O VAL A 56 0.358 4.985 0.677 1.00 0.00 O ATOM 846 CB VAL A 56 0.024 8.051 -0.654 1.00 0.00 C ATOM 847 CG1 VAL A 56 0.084 7.118 -1.865 1.00 0.00 C ATOM 848 CG2 VAL A 56 -0.951 9.204 -0.897 1.00 0.00 C ATOM 0 H VAL A 56 -0.348 9.177 1.504 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.314 6.821 0.430 1.00 0.00 H new ATOM 0 HB VAL A 56 1.017 8.477 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.347 7.692 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.837 6.348 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.889 6.648 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.667 9.735 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.961 8.809 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.921 9.890 -0.051 1.00 0.00 H new ATOM 858 N MET A 57 1.777 6.544 1.494 1.00 0.00 N ATOM 859 CA MET A 57 2.804 5.582 1.853 1.00 0.00 C ATOM 860 C MET A 57 2.238 4.486 2.758 1.00 0.00 C ATOM 861 O MET A 57 2.447 3.300 2.510 1.00 0.00 O ATOM 862 CB MET A 57 3.948 6.299 2.573 1.00 0.00 C ATOM 863 CG MET A 57 5.271 5.557 2.379 1.00 0.00 C ATOM 864 SD MET A 57 6.509 6.216 3.482 1.00 0.00 S ATOM 865 CE MET A 57 7.558 4.783 3.661 1.00 0.00 C ATOM 0 H MET A 57 2.009 7.514 1.706 1.00 0.00 H new ATOM 0 HA MET A 57 3.174 5.117 0.939 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.039 7.317 2.194 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.722 6.374 3.637 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.132 4.493 2.570 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.604 5.655 1.346 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.389 5.021 4.324 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.981 3.960 4.083 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.945 4.491 2.685 1.00 0.00 H new ATOM 875 N GLY A 58 1.532 4.924 3.790 1.00 0.00 N ATOM 876 CA GLY A 58 0.934 3.995 4.735 1.00 0.00 C ATOM 877 C GLY A 58 -0.088 3.091 4.043 1.00 0.00 C ATOM 878 O GLY A 58 -0.082 1.877 4.239 1.00 0.00 O ATOM 0 H GLY A 58 1.361 5.909 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.713 3.385 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.449 4.550 5.538 1.00 0.00 H new ATOM 882 N LEU A 59 -0.941 3.717 3.247 1.00 0.00 N ATOM 883 CA LEU A 59 -1.967 2.985 2.523 1.00 0.00 C ATOM 884 C LEU A 59 -1.300 1.992 1.569 1.00 0.00 C ATOM 885 O LEU A 59 -1.831 0.909 1.325 1.00 0.00 O ATOM 886 CB LEU A 59 -2.930 3.951 1.831 1.00 0.00 C ATOM 887 CG LEU A 59 -4.319 3.399 1.509 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.242 4.504 0.988 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.230 2.222 0.535 1.00 0.00 C ATOM 0 H LEU A 59 -0.943 4.724 3.087 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.579 2.404 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.048 4.830 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.470 4.287 0.902 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.758 3.021 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.223 4.084 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.342 5.281 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.818 4.934 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.232 1.849 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.762 2.552 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.633 1.426 0.980 1.00 0.00 H new ATOM 901 N VAL A 60 -0.148 2.395 1.056 1.00 0.00 N ATOM 902 CA VAL A 60 0.596 1.555 0.134 1.00 0.00 C ATOM 903 C VAL A 60 1.011 0.266 0.847 1.00 0.00 C ATOM 904 O VAL A 60 0.968 -0.814 0.260 1.00 0.00 O ATOM 905 CB VAL A 60 1.784 2.329 -0.439 1.00 0.00 C ATOM 906 CG1 VAL A 60 2.876 1.376 -0.929 1.00 0.00 C ATOM 907 CG2 VAL A 60 1.337 3.271 -1.558 1.00 0.00 C ATOM 0 H VAL A 60 0.289 3.293 1.262 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.029 1.272 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 60 2.205 2.936 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.709 1.953 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.226 0.765 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.472 0.730 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.201 3.809 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.878 2.692 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.612 3.984 -1.165 1.00 0.00 H new ATOM 917 N ASN A 61 1.404 0.422 2.102 1.00 0.00 N ATOM 918 CA ASN A 61 1.826 -0.715 2.901 1.00 0.00 C ATOM 919 C ASN A 61 0.600 -1.363 3.547 1.00 0.00 C ATOM 920 O ASN A 61 0.710 -2.406 4.192 1.00 0.00 O ATOM 921 CB ASN A 61 2.775 -0.281 4.020 1.00 0.00 C ATOM 922 CG ASN A 61 4.225 -0.261 3.532 1.00 0.00 C ATOM 923 OD1 ASN A 61 4.364 0.118 2.265 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 5.156 -0.568 4.258 1.00 0.00 N flip ATOM 0 H ASN A 61 1.439 1.319 2.586 1.00 0.00 H new ATOM 0 HA ASN A 61 2.340 -1.416 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.494 0.710 4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.681 -0.962 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.979 -0.850 5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.111 -0.543 3.901 1.00 0.00 H new ATOM 931 N ALA A 62 -0.542 -0.718 3.353 1.00 0.00 N ATOM 932 CA ALA A 62 -1.787 -1.219 3.908 1.00 0.00 C ATOM 933 C ALA A 62 -2.461 -2.141 2.891 1.00 0.00 C ATOM 934 O ALA A 62 -3.317 -2.948 3.250 1.00 0.00 O ATOM 935 CB ALA A 62 -2.679 -0.040 4.305 1.00 0.00 C ATOM 0 H ALA A 62 -0.630 0.147 2.819 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.597 -1.804 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.614 -0.415 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.167 0.568 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.892 0.568 3.425 1.00 0.00 H new ATOM 941 N ILE A 63 -2.048 -1.992 1.640 1.00 0.00 N ATOM 942 CA ILE A 63 -2.600 -2.803 0.568 1.00 0.00 C ATOM 943 C ILE A 63 -2.181 -4.260 0.769 1.00 0.00 C ATOM 944 O ILE A 63 -3.026 -5.154 0.809 1.00 0.00 O ATOM 945 CB ILE A 63 -2.203 -2.231 -0.795 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.314 -1.345 -1.362 1.00 0.00 C ATOM 947 CG2 ILE A 63 -1.809 -3.348 -1.764 1.00 0.00 C ATOM 948 CD1 ILE A 63 -2.812 -0.536 -2.560 1.00 0.00 C ATOM 0 H ILE A 63 -1.338 -1.322 1.345 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.689 -2.778 0.594 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.326 -1.599 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.159 -1.964 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.676 -0.669 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.531 -2.915 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.962 -3.901 -1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.652 -4.025 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.621 0.085 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.983 0.099 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.474 -1.216 -3.342 1.00 0.00 H new ATOM 960 N PRO A 64 -0.842 -4.462 0.893 1.00 0.00 N ATOM 961 CA PRO A 64 -0.301 -5.796 1.089 1.00 0.00 C ATOM 962 C PRO A 64 -0.541 -6.281 2.520 1.00 0.00 C ATOM 963 O PRO A 64 -0.859 -7.449 2.738 1.00 0.00 O ATOM 964 CB PRO A 64 1.175 -5.677 0.742 1.00 0.00 C ATOM 965 CG PRO A 64 1.502 -4.194 0.816 1.00 0.00 C ATOM 966 CD PRO A 64 0.189 -3.428 0.851 1.00 0.00 C ATOM 0 HA PRO A 64 -0.786 -6.543 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.788 -6.247 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.375 -6.072 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.094 -3.978 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.098 -3.891 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.133 -2.777 1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.077 -2.793 -0.028 1.00 0.00 H new ATOM 974 N MET A 65 -0.381 -5.359 3.458 1.00 0.00 N ATOM 975 CA MET A 65 -0.577 -5.678 4.862 1.00 0.00 C ATOM 976 C MET A 65 -1.999 -6.180 5.117 1.00 0.00 C ATOM 977 O MET A 65 -2.204 -7.101 5.905 1.00 0.00 O ATOM 978 CB MET A 65 -0.315 -4.431 5.710 1.00 0.00 C ATOM 979 CG MET A 65 -0.585 -4.709 7.190 1.00 0.00 C ATOM 980 SD MET A 65 -2.155 -4.008 7.667 1.00 0.00 S ATOM 981 CE MET A 65 -1.860 -3.740 9.407 1.00 0.00 C ATOM 0 H MET A 65 -0.118 -4.391 3.273 1.00 0.00 H new ATOM 0 HA MET A 65 0.121 -6.468 5.137 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.718 -4.108 5.579 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.950 -3.614 5.368 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.587 -5.784 7.372 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.212 -4.284 7.800 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.748 -3.303 9.863 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.636 -4.692 9.889 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.016 -3.062 9.533 1.00 0.00 H new ATOM 991 N ILE A 66 -2.945 -5.552 4.434 1.00 0.00 N ATOM 992 CA ILE A 66 -4.343 -5.924 4.576 1.00 0.00 C ATOM 993 C ILE A 66 -4.627 -7.160 3.721 1.00 0.00 C ATOM 994 O ILE A 66 -5.507 -7.955 4.046 1.00 0.00 O ATOM 995 CB ILE A 66 -5.249 -4.733 4.258 1.00 0.00 C ATOM 996 CG1 ILE A 66 -5.014 -3.586 5.242 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.718 -5.159 4.213 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.511 -2.259 4.666 1.00 0.00 C ATOM 0 H ILE A 66 -2.771 -4.788 3.781 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.563 -6.194 5.609 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.991 -4.363 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.529 -3.795 6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.951 -3.511 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.341 -4.294 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.854 -5.917 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.007 -5.570 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.332 -1.460 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.977 -2.041 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.579 -2.329 4.460 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.866 -7.282 2.644 1.00 0.00 N ATOM 1011 CA ALA A 67 -4.025 -8.408 1.739 1.00 0.00 C ATOM 1012 C ALA A 67 -3.532 -9.682 2.426 1.00 0.00 C ATOM 1013 O ALA A 67 -4.331 -10.545 2.788 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.279 -8.123 0.433 1.00 0.00 C ATOM 0 H ALA A 67 -3.137 -6.620 2.377 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.076 -8.554 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.398 -8.967 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.687 -7.225 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.220 -7.974 0.644 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.219 -9.761 2.585 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.610 -10.917 3.222 1.00 0.00 C ATOM 1022 C VAL A 68 -2.123 -11.029 4.660 1.00 0.00 C ATOM 1023 O VAL A 68 -2.195 -12.126 5.213 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.086 -10.819 3.138 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.567 -12.171 3.426 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.354 -10.276 1.777 1.00 0.00 C ATOM 0 H VAL A 68 -1.560 -9.043 2.284 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.892 -11.833 2.702 1.00 0.00 H new ATOM 0 HB VAL A 68 0.247 -10.117 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.651 -12.073 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.293 -12.501 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.224 -12.904 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.442 -10.216 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.003 -10.942 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.069 -9.282 1.628 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.467 -9.881 5.224 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.972 -9.837 6.586 1.00 0.00 C ATOM 1038 C GLY A 69 -4.221 -10.706 6.736 1.00 0.00 C ATOM 1039 O GLY A 69 -4.242 -11.636 7.541 1.00 0.00 O ATOM 0 H GLY A 69 -2.406 -8.973 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.201 -10.181 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.206 -8.808 6.858 1.00 0.00 H new ATOM 1043 N LEU A 70 -5.233 -10.373 5.948 1.00 0.00 N ATOM 1044 CA LEU A 70 -6.484 -11.112 5.984 1.00 0.00 C ATOM 1045 C LEU A 70 -6.205 -12.591 5.713 1.00 0.00 C ATOM 1046 O LEU A 70 -6.586 -13.453 6.504 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.499 -10.491 5.022 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.939 -10.406 5.530 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.803 -9.558 4.594 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.528 -11.803 5.745 1.00 0.00 C ATOM 0 H LEU A 70 -5.212 -9.602 5.281 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.937 -11.049 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.163 -9.485 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.494 -11.069 4.098 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.930 -9.907 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.822 -9.514 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.394 -8.549 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.810 -10.005 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.553 -11.714 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.522 -12.350 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.929 -12.341 6.480 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.543 -12.841 4.592 1.00 0.00 N ATOM 1063 CA GLY A 71 -5.210 -14.202 4.207 1.00 0.00 C ATOM 1064 C GLY A 71 -4.590 -14.966 5.379 1.00 0.00 C ATOM 1065 O GLY A 71 -4.937 -16.121 5.624 1.00 0.00 O ATOM 0 H GLY A 71 -5.229 -12.124 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.108 -14.718 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.514 -14.187 3.369 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.684 -14.291 6.071 1.00 0.00 N ATOM 1070 CA LEU A 72 -3.012 -14.893 7.211 1.00 0.00 C ATOM 1071 C LEU A 72 -4.040 -15.184 8.307 1.00 0.00 C ATOM 1072 O LEU A 72 -4.271 -16.340 8.654 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.851 -14.011 7.675 1.00 0.00 C ATOM 1074 CG LEU A 72 -0.447 -14.546 7.387 1.00 0.00 C ATOM 1075 CD1 LEU A 72 0.614 -13.724 8.121 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -0.349 -16.037 7.719 1.00 0.00 C ATOM 0 H LEU A 72 -3.399 -13.333 5.865 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.565 -15.847 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.951 -13.034 7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.946 -13.855 8.750 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.254 -14.441 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.603 -14.125 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.562 -12.686 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.435 -13.774 9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.659 -16.392 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.571 -16.190 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.065 -16.592 7.114 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.628 -14.113 8.821 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.625 -14.240 9.871 1.00 0.00 C ATOM 1090 C TYR A 73 -6.527 -15.451 9.627 1.00 0.00 C ATOM 1091 O TYR A 73 -6.809 -16.214 10.550 1.00 0.00 O ATOM 1092 CB TYR A 73 -6.471 -12.967 9.804 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.880 -13.126 10.377 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.893 -13.634 9.589 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -8.140 -12.760 11.683 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -10.219 -13.784 10.128 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -9.467 -12.909 12.222 1.00 0.00 C ATOM 1098 CZ TYR A 73 -10.441 -13.414 11.418 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.694 -13.555 11.928 1.00 0.00 O ATOM 0 H TYR A 73 -4.433 -13.155 8.530 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.146 -14.374 10.841 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.957 -12.173 10.345 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.546 -12.647 8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.690 -13.919 8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.348 -12.362 12.300 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.020 -14.181 9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.684 -12.626 13.241 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.704 -13.252 12.860 1.00 0.00 H new ATOM 1109 N VAL A 74 -6.955 -15.589 8.381 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.820 -16.694 8.005 1.00 0.00 C ATOM 1111 C VAL A 74 -7.078 -18.014 8.226 1.00 0.00 C ATOM 1112 O VAL A 74 -7.610 -18.932 8.848 1.00 0.00 O ATOM 1113 CB VAL A 74 -8.303 -16.514 6.565 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -9.012 -17.774 6.062 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -9.209 -15.287 6.440 1.00 0.00 C ATOM 0 H VAL A 74 -6.719 -14.954 7.619 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.711 -16.712 8.632 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.428 -16.349 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.345 -17.619 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.323 -18.618 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.874 -17.984 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.539 -15.182 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.078 -15.409 7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.657 -14.395 6.737 1.00 0.00 H new ATOM 1125 N MET A 75 -5.861 -18.067 7.704 1.00 0.00 N ATOM 1126 CA MET A 75 -5.041 -19.260 7.837 1.00 0.00 C ATOM 1127 C MET A 75 -4.893 -19.662 9.305 1.00 0.00 C ATOM 1128 O MET A 75 -5.259 -20.773 9.688 1.00 0.00 O ATOM 1129 CB MET A 75 -3.658 -18.996 7.238 1.00 0.00 C ATOM 1130 CG MET A 75 -3.081 -20.268 6.612 1.00 0.00 C ATOM 1131 SD MET A 75 -1.975 -21.067 7.764 1.00 0.00 S ATOM 1132 CE MET A 75 -0.417 -20.386 7.221 1.00 0.00 C ATOM 0 H MET A 75 -5.423 -17.304 7.188 1.00 0.00 H new ATOM 0 HA MET A 75 -5.529 -20.076 7.304 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.728 -18.214 6.482 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.985 -18.630 8.014 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.888 -20.948 6.339 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.548 -20.022 5.694 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.389 -20.783 7.839 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.244 -20.658 6.180 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.443 -19.300 7.313 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.356 -18.738 10.088 1.00 0.00 N ATOM 1143 CA PHE A 76 -4.155 -18.984 11.507 1.00 0.00 C ATOM 1144 C PHE A 76 -5.461 -19.416 12.178 1.00 0.00 C ATOM 1145 O PHE A 76 -5.483 -20.386 12.934 1.00 0.00 O ATOM 1146 CB PHE A 76 -3.688 -17.666 12.128 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.688 -17.838 13.273 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.136 -17.980 14.549 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.354 -17.848 13.016 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.208 -18.140 15.612 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -0.426 -18.008 14.079 1.00 0.00 C ATOM 1152 CZ PHE A 76 -0.874 -18.150 15.355 1.00 0.00 C ATOM 0 H PHE A 76 -4.054 -17.818 9.767 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.424 -19.781 11.647 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.233 -17.051 11.351 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.557 -17.122 12.497 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.196 -17.971 14.754 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.999 -17.734 12.002 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.563 -18.254 16.626 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.634 -18.017 13.874 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.169 -18.271 16.164 1.00 0.00 H new ATOM 1162 N ALA A 77 -6.517 -18.674 11.878 1.00 0.00 N ATOM 1163 CA ALA A 77 -7.823 -18.967 12.444 1.00 0.00 C ATOM 1164 C ALA A 77 -8.110 -20.464 12.303 1.00 0.00 C ATOM 1165 O ALA A 77 -8.120 -21.194 13.293 1.00 0.00 O ATOM 1166 CB ALA A 77 -8.883 -18.104 11.757 1.00 0.00 C ATOM 0 H ALA A 77 -6.495 -17.870 11.250 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.844 -18.725 13.507 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.862 -18.324 12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.649 -17.050 11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.893 -18.322 10.689 1.00 0.00 H new ATOM 1172 N VAL A 78 -8.337 -20.877 11.065 1.00 0.00 N ATOM 1173 CA VAL A 78 -8.623 -22.273 10.782 1.00 0.00 C ATOM 1174 C VAL A 78 -7.466 -23.139 11.286 1.00 0.00 C ATOM 1175 O VAL A 78 -7.689 -24.165 11.927 1.00 0.00 O ATOM 1176 CB VAL A 78 -8.901 -22.459 9.289 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -10.030 -21.537 8.823 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -7.632 -22.233 8.463 1.00 0.00 C ATOM 0 H VAL A 78 -8.329 -20.269 10.246 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.522 -22.592 11.309 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.223 -23.489 9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.208 -21.689 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.939 -21.766 9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.748 -20.499 8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.857 -22.371 7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.267 -21.219 8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.867 -22.948 8.768 1.00 0.00 H new ATOM 1188 N ALA A 79 -6.257 -22.693 10.980 1.00 0.00 N ATOM 1189 CA ALA A 79 -5.066 -23.414 11.394 1.00 0.00 C ATOM 1190 C ALA A 79 -4.742 -23.062 12.847 1.00 0.00 C ATOM 1191 O ALA A 79 -3.643 -23.336 13.325 1.00 0.00 O ATOM 1192 CB ALA A 79 -3.913 -23.085 10.443 1.00 0.00 C ATOM 0 H ALA A 79 -6.077 -21.841 10.450 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.232 -24.490 11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.019 -23.626 10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.182 -23.381 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.715 -22.013 10.468 1.00 0.00 H new TER 1198 ALA A 79