USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 662 hydrogens (21 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 Single : A 1 ALA N :NH3+ 137:sc= 0.0196 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= -0.105 (180deg=-0.609) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 12 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.17) USER MOD Single : A 17 MET CE :methyl -123:sc= -0.895 (180deg=-3.39!) USER MOD Single : A 21 SER OG : rot -76:sc= 0.541 USER MOD Single : A 24 SER OG : rot -90:sc= 1.11 USER MOD Single : A 32 THR OG1 : rot 135:sc= 1.01 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.48! C(o=-3.5!,f=-4.7!) USER MOD Single : A 40 MET CE :methyl -155:sc= 0 (180deg=-0.64) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 47 SER OG : rot -93:sc= -0.928! USER MOD Single : A 48 MET CE :methyl 168:sc= 0 (180deg=-0.0437) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -71:sc= 0.941 USER MOD Single : A 72 CYS SG : rot 10:sc= -1.38 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -118:sc= 0.314 (180deg=-0.124) USER MOD Single : A 82 MET CE :methyl -156:sc= -2.88! (180deg=-4.77!) USER MOD Single : A 85 SER OG : rot -14:sc= 1.2 USER MOD Single : A 90 PNS O33 : rot -11:sc= 1.3 USER MOD Single : A 90 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.224 1.619 8.751 1.00 9.14 N ATOM 2 CA ALA A 1 -14.834 0.226 9.055 1.00 8.68 C ATOM 3 C ALA A 1 -15.832 -0.758 8.472 1.00 7.71 C ATOM 4 O ALA A 1 -17.036 -0.503 8.462 1.00 7.65 O ATOM 5 CB ALA A 1 -14.727 0.026 10.555 1.00 9.06 C ATOM 0 H1 ALA A 1 -15.093 2.209 9.597 1.00 9.14 H new ATOM 0 H2 ALA A 1 -14.631 1.985 7.979 1.00 9.14 H new ATOM 0 H3 ALA A 1 -16.223 1.645 8.463 1.00 9.14 H new ATOM 0 HA ALA A 1 -13.862 0.040 8.599 1.00 8.68 H new ATOM 0 HB1 ALA A 1 -14.439 -1.004 10.765 1.00 9.06 H new ATOM 0 HB2 ALA A 1 -13.974 0.703 10.960 1.00 9.06 H new ATOM 0 HB3 ALA A 1 -15.691 0.235 11.020 1.00 9.06 H new ATOM 13 N MET A 2 -15.331 -1.874 7.977 1.00 7.24 N ATOM 14 CA MET A 2 -16.189 -2.922 7.457 1.00 6.51 C ATOM 15 C MET A 2 -16.002 -4.193 8.275 1.00 5.64 C ATOM 16 O MET A 2 -14.895 -4.472 8.739 1.00 5.84 O ATOM 17 CB MET A 2 -15.884 -3.207 5.979 1.00 6.99 C ATOM 18 CG MET A 2 -16.306 -2.102 5.021 1.00 7.26 C ATOM 19 SD MET A 2 -15.282 -0.620 5.141 1.00 8.19 S ATOM 20 CE MET A 2 -16.047 0.419 3.900 1.00 8.72 C ATOM 0 H MET A 2 -14.333 -2.078 7.924 1.00 7.24 H new ATOM 0 HA MET A 2 -17.223 -2.585 7.533 1.00 6.51 H new ATOM 0 HB2 MET A 2 -14.813 -3.376 5.869 1.00 6.99 H new ATOM 0 HB3 MET A 2 -16.384 -4.131 5.690 1.00 6.99 H new ATOM 0 HG2 MET A 2 -16.265 -2.481 4.000 1.00 7.26 H new ATOM 0 HG3 MET A 2 -17.344 -1.835 5.221 1.00 7.26 H new ATOM 0 HE1 MET A 2 -15.525 1.375 3.854 1.00 8.72 H new ATOM 0 HE2 MET A 2 -15.991 -0.073 2.929 1.00 8.72 H new ATOM 0 HE3 MET A 2 -17.092 0.588 4.161 1.00 8.72 H new ATOM 30 N ALA A 3 -17.074 -4.965 8.454 1.00 5.02 N ATOM 31 CA ALA A 3 -16.998 -6.223 9.192 1.00 4.45 C ATOM 32 C ALA A 3 -16.247 -7.270 8.387 1.00 3.68 C ATOM 33 O ALA A 3 -15.848 -8.317 8.899 1.00 4.10 O ATOM 34 CB ALA A 3 -18.394 -6.717 9.541 1.00 5.17 C ATOM 0 H ALA A 3 -18.003 -4.741 8.098 1.00 5.02 H new ATOM 0 HA ALA A 3 -16.451 -6.048 10.119 1.00 4.45 H new ATOM 0 HB1 ALA A 3 -18.321 -7.655 10.091 1.00 5.17 H new ATOM 0 HB2 ALA A 3 -18.899 -5.974 10.157 1.00 5.17 H new ATOM 0 HB3 ALA A 3 -18.963 -6.876 8.625 1.00 5.17 H new ATOM 40 N LYS A 4 -16.072 -6.965 7.124 1.00 3.03 N ATOM 41 CA LYS A 4 -15.292 -7.790 6.219 1.00 2.69 C ATOM 42 C LYS A 4 -14.501 -6.891 5.278 1.00 2.05 C ATOM 43 O LYS A 4 -15.076 -6.049 4.588 1.00 2.46 O ATOM 44 CB LYS A 4 -16.198 -8.732 5.419 1.00 3.47 C ATOM 45 CG LYS A 4 -15.440 -9.794 4.638 1.00 4.10 C ATOM 46 CD LYS A 4 -16.386 -10.725 3.895 1.00 5.04 C ATOM 47 CE LYS A 4 -15.667 -11.975 3.413 1.00 5.94 C ATOM 48 NZ LYS A 4 -15.164 -12.786 4.547 1.00 6.66 N ATOM 0 H LYS A 4 -16.468 -6.132 6.687 1.00 3.03 H new ATOM 0 HA LYS A 4 -14.605 -8.403 6.802 1.00 2.69 H new ATOM 0 HB2 LYS A 4 -16.891 -9.222 6.103 1.00 3.47 H new ATOM 0 HB3 LYS A 4 -16.798 -8.143 4.725 1.00 3.47 H new ATOM 0 HG2 LYS A 4 -14.769 -9.313 3.927 1.00 4.10 H new ATOM 0 HG3 LYS A 4 -14.819 -10.374 5.320 1.00 4.10 H new ATOM 0 HD2 LYS A 4 -17.211 -11.007 4.550 1.00 5.04 H new ATOM 0 HD3 LYS A 4 -16.820 -10.201 3.043 1.00 5.04 H new ATOM 0 HE2 LYS A 4 -16.346 -12.576 2.808 1.00 5.94 H new ATOM 0 HE3 LYS A 4 -14.834 -11.691 2.770 1.00 5.94 H new ATOM 0 HZ1 LYS A 4 -15.055 -13.775 4.245 1.00 6.66 H new ATOM 0 HZ2 LYS A 4 -14.243 -12.415 4.857 1.00 6.66 H new ATOM 0 HZ3 LYS A 4 -15.840 -12.737 5.336 1.00 6.66 H new ATOM 62 N GLY A 5 -13.189 -7.059 5.266 1.00 1.74 N ATOM 63 CA GLY A 5 -12.342 -6.205 4.460 1.00 1.46 C ATOM 64 C GLY A 5 -12.144 -6.746 3.062 1.00 1.22 C ATOM 65 O GLY A 5 -12.946 -7.545 2.575 1.00 1.37 O ATOM 0 H GLY A 5 -12.694 -7.773 5.801 1.00 1.74 H new ATOM 0 HA2 GLY A 5 -12.783 -5.210 4.403 1.00 1.46 H new ATOM 0 HA3 GLY A 5 -11.372 -6.096 4.946 1.00 1.46 H new ATOM 69 N VAL A 6 -11.066 -6.320 2.422 1.00 1.00 N ATOM 70 CA VAL A 6 -10.751 -6.765 1.072 1.00 0.85 C ATOM 71 C VAL A 6 -10.301 -8.225 1.103 1.00 0.64 C ATOM 72 O VAL A 6 -11.028 -9.115 0.667 1.00 0.79 O ATOM 73 CB VAL A 6 -9.653 -5.889 0.436 1.00 0.87 C ATOM 74 CG1 VAL A 6 -9.470 -6.228 -1.038 1.00 0.90 C ATOM 75 CG2 VAL A 6 -9.971 -4.410 0.612 1.00 1.14 C ATOM 0 H VAL A 6 -10.392 -5.664 2.817 1.00 1.00 H new ATOM 0 HA VAL A 6 -11.650 -6.672 0.463 1.00 0.85 H new ATOM 0 HB VAL A 6 -8.716 -6.100 0.950 1.00 0.87 H new ATOM 0 HG11 VAL A 6 -8.690 -5.596 -1.463 1.00 0.90 H new ATOM 0 HG12 VAL A 6 -9.183 -7.275 -1.138 1.00 0.90 H new ATOM 0 HG13 VAL A 6 -10.406 -6.056 -1.570 1.00 0.90 H new ATOM 0 HG21 VAL A 6 -9.183 -3.812 0.156 1.00 1.14 H new ATOM 0 HG22 VAL A 6 -10.923 -4.183 0.132 1.00 1.14 H new ATOM 0 HG23 VAL A 6 -10.035 -4.176 1.675 1.00 1.14 H new ATOM 85 N GLY A 7 -9.103 -8.465 1.627 1.00 0.47 N ATOM 86 CA GLY A 7 -8.606 -9.822 1.728 1.00 0.42 C ATOM 87 C GLY A 7 -7.968 -10.277 0.434 1.00 0.41 C ATOM 88 O GLY A 7 -8.641 -10.818 -0.443 1.00 0.53 O ATOM 0 H GLY A 7 -8.471 -7.747 1.981 1.00 0.47 H new ATOM 0 HA2 GLY A 7 -7.877 -9.884 2.536 1.00 0.42 H new ATOM 0 HA3 GLY A 7 -9.426 -10.492 1.986 1.00 0.42 H new ATOM 92 N VAL A 8 -6.671 -10.050 0.308 1.00 0.33 N ATOM 93 CA VAL A 8 -5.968 -10.346 -0.930 1.00 0.32 C ATOM 94 C VAL A 8 -5.035 -11.536 -0.741 1.00 0.35 C ATOM 95 O VAL A 8 -4.669 -11.875 0.386 1.00 0.39 O ATOM 96 CB VAL A 8 -5.173 -9.115 -1.449 1.00 0.32 C ATOM 97 CG1 VAL A 8 -6.040 -7.866 -1.424 1.00 0.36 C ATOM 98 CG2 VAL A 8 -3.897 -8.898 -0.647 1.00 0.33 C ATOM 0 H VAL A 8 -6.084 -9.662 1.046 1.00 0.33 H new ATOM 0 HA VAL A 8 -6.717 -10.597 -1.681 1.00 0.32 H new ATOM 0 HB VAL A 8 -4.886 -9.317 -2.481 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -5.464 -7.016 -1.791 1.00 0.36 H new ATOM 0 HG12 VAL A 8 -6.912 -8.016 -2.060 1.00 0.36 H new ATOM 0 HG13 VAL A 8 -6.366 -7.670 -0.403 1.00 0.36 H new ATOM 0 HG21 VAL A 8 -3.366 -8.030 -1.036 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -4.149 -8.730 0.400 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -3.261 -9.779 -0.730 1.00 0.33 H new ATOM 108 N SER A 9 -4.684 -12.183 -1.838 1.00 0.37 N ATOM 109 CA SER A 9 -3.743 -13.287 -1.804 1.00 0.42 C ATOM 110 C SER A 9 -2.326 -12.769 -1.569 1.00 0.34 C ATOM 111 O SER A 9 -2.066 -11.572 -1.707 1.00 0.31 O ATOM 112 CB SER A 9 -3.801 -14.051 -3.129 1.00 0.52 C ATOM 113 OG SER A 9 -5.141 -14.352 -3.487 1.00 1.56 O ATOM 0 H SER A 9 -5.039 -11.961 -2.768 1.00 0.37 H new ATOM 0 HA SER A 9 -4.012 -13.956 -0.986 1.00 0.42 H new ATOM 0 HB2 SER A 9 -3.336 -13.457 -3.916 1.00 0.52 H new ATOM 0 HB3 SER A 9 -3.227 -14.974 -3.045 1.00 0.52 H new ATOM 0 HG SER A 9 -5.151 -14.839 -4.338 1.00 1.56 H new ATOM 119 N ASN A 10 -1.412 -13.675 -1.233 1.00 0.38 N ATOM 120 CA ASN A 10 0.003 -13.328 -1.108 1.00 0.41 C ATOM 121 C ASN A 10 0.513 -12.795 -2.441 1.00 0.36 C ATOM 122 O ASN A 10 1.426 -11.984 -2.498 1.00 0.38 O ATOM 123 CB ASN A 10 0.816 -14.552 -0.655 1.00 0.52 C ATOM 124 CG ASN A 10 2.317 -14.361 -0.807 1.00 1.20 C ATOM 125 OD1 ASN A 10 2.901 -14.743 -1.821 1.00 2.02 O ATOM 126 ND2 ASN A 10 2.955 -13.782 0.202 1.00 1.73 N ATOM 0 H ASN A 10 -1.624 -14.654 -1.042 1.00 0.38 H new ATOM 0 HA ASN A 10 0.121 -12.552 -0.352 1.00 0.41 H new ATOM 0 HB2 ASN A 10 0.587 -14.767 0.389 1.00 0.52 H new ATOM 0 HB3 ASN A 10 0.506 -15.421 -1.235 1.00 0.52 H new ATOM 0 HD21 ASN A 10 3.964 -13.640 0.153 1.00 1.73 H new ATOM 0 HD22 ASN A 10 2.437 -13.479 1.026 1.00 1.73 H new ATOM 133 N GLU A 11 -0.126 -13.252 -3.507 1.00 0.37 N ATOM 134 CA GLU A 11 0.117 -12.764 -4.855 1.00 0.41 C ATOM 135 C GLU A 11 0.054 -11.241 -4.925 1.00 0.36 C ATOM 136 O GLU A 11 0.993 -10.603 -5.396 1.00 0.35 O ATOM 137 CB GLU A 11 -0.923 -13.394 -5.790 1.00 0.54 C ATOM 138 CG GLU A 11 -1.103 -12.684 -7.117 1.00 0.92 C ATOM 139 CD GLU A 11 -2.337 -13.164 -7.849 1.00 1.39 C ATOM 140 OE1 GLU A 11 -3.448 -12.681 -7.534 1.00 1.75 O ATOM 141 OE2 GLU A 11 -2.211 -14.051 -8.714 1.00 1.91 O ATOM 0 H GLU A 11 -0.837 -13.982 -3.459 1.00 0.37 H new ATOM 0 HA GLU A 11 1.123 -13.050 -5.163 1.00 0.41 H new ATOM 0 HB2 GLU A 11 -0.637 -14.428 -5.984 1.00 0.54 H new ATOM 0 HB3 GLU A 11 -1.884 -13.420 -5.276 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -1.176 -11.610 -6.947 1.00 0.92 H new ATOM 0 HG3 GLU A 11 -0.224 -12.849 -7.740 1.00 0.92 H new ATOM 148 N LYS A 12 -1.038 -10.648 -4.448 1.00 0.35 N ATOM 149 CA LYS A 12 -1.147 -9.193 -4.458 1.00 0.33 C ATOM 150 C LYS A 12 -0.132 -8.583 -3.505 1.00 0.27 C ATOM 151 O LYS A 12 0.365 -7.483 -3.740 1.00 0.29 O ATOM 152 CB LYS A 12 -2.554 -8.713 -4.087 1.00 0.43 C ATOM 153 CG LYS A 12 -3.562 -8.764 -5.234 1.00 0.89 C ATOM 154 CD LYS A 12 -4.303 -10.086 -5.272 1.00 1.03 C ATOM 155 CE LYS A 12 -5.272 -10.175 -6.447 1.00 0.87 C ATOM 156 NZ LYS A 12 -5.740 -11.570 -6.656 1.00 1.58 N ATOM 0 H LYS A 12 -1.842 -11.139 -4.058 1.00 0.35 H new ATOM 0 HA LYS A 12 -0.942 -8.864 -5.477 1.00 0.33 H new ATOM 0 HB2 LYS A 12 -2.927 -9.323 -3.264 1.00 0.43 H new ATOM 0 HB3 LYS A 12 -2.490 -7.688 -3.721 1.00 0.43 H new ATOM 0 HG2 LYS A 12 -4.278 -7.949 -5.126 1.00 0.89 H new ATOM 0 HG3 LYS A 12 -3.044 -8.610 -6.181 1.00 0.89 H new ATOM 0 HD2 LYS A 12 -3.583 -10.902 -5.336 1.00 1.03 H new ATOM 0 HD3 LYS A 12 -4.853 -10.218 -4.340 1.00 1.03 H new ATOM 0 HE2 LYS A 12 -6.128 -9.525 -6.265 1.00 0.87 H new ATOM 0 HE3 LYS A 12 -4.784 -9.813 -7.352 1.00 0.87 H new ATOM 0 HZ1 LYS A 12 -6.693 -11.558 -7.072 1.00 1.58 H new ATOM 0 HZ2 LYS A 12 -5.088 -12.062 -7.299 1.00 1.58 H new ATOM 0 HZ3 LYS A 12 -5.767 -12.068 -5.743 1.00 1.58 H new ATOM 170 N LEU A 13 0.193 -9.315 -2.444 1.00 0.25 N ATOM 171 CA LEU A 13 1.156 -8.846 -1.460 1.00 0.24 C ATOM 172 C LEU A 13 2.578 -8.882 -2.026 1.00 0.24 C ATOM 173 O LEU A 13 3.459 -8.171 -1.544 1.00 0.29 O ATOM 174 CB LEU A 13 1.066 -9.683 -0.182 1.00 0.29 C ATOM 175 CG LEU A 13 1.601 -8.989 1.075 1.00 0.38 C ATOM 176 CD1 LEU A 13 0.550 -8.986 2.170 1.00 0.82 C ATOM 177 CD2 LEU A 13 2.875 -9.658 1.559 1.00 0.99 C ATOM 0 H LEU A 13 -0.198 -10.236 -2.246 1.00 0.25 H new ATOM 0 HA LEU A 13 0.915 -7.811 -1.215 1.00 0.24 H new ATOM 0 HB2 LEU A 13 0.024 -9.956 -0.015 1.00 0.29 H new ATOM 0 HB3 LEU A 13 1.618 -10.611 -0.332 1.00 0.29 H new ATOM 0 HG LEU A 13 1.836 -7.956 0.820 1.00 0.38 H new ATOM 0 HD11 LEU A 13 0.948 -8.489 3.055 1.00 0.82 H new ATOM 0 HD12 LEU A 13 -0.336 -8.454 1.823 1.00 0.82 H new ATOM 0 HD13 LEU A 13 0.282 -10.013 2.420 1.00 0.82 H new ATOM 0 HD21 LEU A 13 3.237 -9.149 2.452 1.00 0.99 H new ATOM 0 HD22 LEU A 13 2.671 -10.702 1.795 1.00 0.99 H new ATOM 0 HD23 LEU A 13 3.634 -9.604 0.778 1.00 0.99 H new ATOM 189 N ASP A 14 2.813 -9.714 -3.042 1.00 0.25 N ATOM 190 CA ASP A 14 4.080 -9.715 -3.731 1.00 0.29 C ATOM 191 C ASP A 14 4.102 -8.640 -4.821 1.00 0.27 C ATOM 192 O ASP A 14 5.147 -8.056 -5.120 1.00 0.34 O ATOM 193 CB ASP A 14 4.338 -11.097 -4.333 1.00 0.36 C ATOM 194 CG ASP A 14 5.132 -12.007 -3.414 1.00 0.61 C ATOM 195 OD1 ASP A 14 4.969 -11.893 -2.177 1.00 0.83 O ATOM 196 OD2 ASP A 14 5.917 -12.839 -3.916 1.00 0.88 O ATOM 0 H ASP A 14 2.137 -10.390 -3.397 1.00 0.25 H new ATOM 0 HA ASP A 14 4.871 -9.487 -3.017 1.00 0.29 H new ATOM 0 HB2 ASP A 14 3.384 -11.569 -4.566 1.00 0.36 H new ATOM 0 HB3 ASP A 14 4.876 -10.982 -5.274 1.00 0.36 H new ATOM 201 N ALA A 15 2.931 -8.352 -5.387 1.00 0.21 N ATOM 202 CA ALA A 15 2.816 -7.387 -6.477 1.00 0.23 C ATOM 203 C ALA A 15 2.830 -5.967 -5.945 1.00 0.22 C ATOM 204 O ALA A 15 3.360 -5.061 -6.585 1.00 0.30 O ATOM 205 CB ALA A 15 1.546 -7.640 -7.283 1.00 0.25 C ATOM 0 H ALA A 15 2.046 -8.775 -5.107 1.00 0.21 H new ATOM 0 HA ALA A 15 3.676 -7.514 -7.134 1.00 0.23 H new ATOM 0 HB1 ALA A 15 1.477 -6.912 -8.091 1.00 0.25 H new ATOM 0 HB2 ALA A 15 1.576 -8.646 -7.702 1.00 0.25 H new ATOM 0 HB3 ALA A 15 0.677 -7.544 -6.632 1.00 0.25 H new ATOM 211 N VAL A 16 2.258 -5.775 -4.765 1.00 0.17 N ATOM 212 CA VAL A 16 2.219 -4.460 -4.148 1.00 0.17 C ATOM 213 C VAL A 16 3.624 -3.906 -3.959 1.00 0.17 C ATOM 214 O VAL A 16 3.866 -2.711 -4.139 1.00 0.18 O ATOM 215 CB VAL A 16 1.485 -4.468 -2.788 1.00 0.20 C ATOM 216 CG1 VAL A 16 2.019 -5.561 -1.877 1.00 0.22 C ATOM 217 CG2 VAL A 16 1.615 -3.113 -2.110 1.00 0.23 C ATOM 0 H VAL A 16 1.815 -6.513 -4.217 1.00 0.17 H new ATOM 0 HA VAL A 16 1.661 -3.818 -4.829 1.00 0.17 H new ATOM 0 HB VAL A 16 0.432 -4.673 -2.979 1.00 0.20 H new ATOM 0 HG11 VAL A 16 1.482 -5.539 -0.929 1.00 0.22 H new ATOM 0 HG12 VAL A 16 1.878 -6.532 -2.352 1.00 0.22 H new ATOM 0 HG13 VAL A 16 3.081 -5.397 -1.696 1.00 0.22 H new ATOM 0 HG21 VAL A 16 1.093 -3.133 -1.153 1.00 0.23 H new ATOM 0 HG22 VAL A 16 2.669 -2.889 -1.944 1.00 0.23 H new ATOM 0 HG23 VAL A 16 1.176 -2.344 -2.746 1.00 0.23 H new ATOM 227 N MET A 17 4.553 -4.790 -3.639 1.00 0.19 N ATOM 228 CA MET A 17 5.905 -4.380 -3.328 1.00 0.23 C ATOM 229 C MET A 17 6.617 -3.865 -4.571 1.00 0.24 C ATOM 230 O MET A 17 7.463 -2.980 -4.478 1.00 0.31 O ATOM 231 CB MET A 17 6.690 -5.530 -2.698 1.00 0.25 C ATOM 232 CG MET A 17 6.022 -6.091 -1.454 1.00 0.29 C ATOM 233 SD MET A 17 7.032 -7.295 -0.573 1.00 0.36 S ATOM 234 CE MET A 17 7.173 -8.575 -1.817 1.00 1.63 C ATOM 0 H MET A 17 4.393 -5.796 -3.589 1.00 0.19 H new ATOM 0 HA MET A 17 5.850 -3.566 -2.605 1.00 0.23 H new ATOM 0 HB2 MET A 17 6.808 -6.327 -3.432 1.00 0.25 H new ATOM 0 HB3 MET A 17 7.691 -5.182 -2.441 1.00 0.25 H new ATOM 0 HG2 MET A 17 5.780 -5.269 -0.780 1.00 0.29 H new ATOM 0 HG3 MET A 17 5.079 -6.558 -1.738 1.00 0.29 H new ATOM 0 HE1 MET A 17 6.799 -9.516 -1.414 1.00 1.63 H new ATOM 0 HE2 MET A 17 6.587 -8.297 -2.693 1.00 1.63 H new ATOM 0 HE3 MET A 17 8.219 -8.692 -2.102 1.00 1.63 H new ATOM 244 N ARG A 18 6.251 -4.389 -5.741 1.00 0.21 N ATOM 245 CA ARG A 18 6.873 -3.936 -6.976 1.00 0.26 C ATOM 246 C ARG A 18 6.382 -2.537 -7.316 1.00 0.23 C ATOM 247 O ARG A 18 7.117 -1.737 -7.881 1.00 0.32 O ATOM 248 CB ARG A 18 6.614 -4.896 -8.144 1.00 0.35 C ATOM 249 CG ARG A 18 5.299 -4.675 -8.858 1.00 0.50 C ATOM 250 CD ARG A 18 5.209 -5.562 -10.088 1.00 0.65 C ATOM 251 NE ARG A 18 3.948 -5.415 -10.813 1.00 1.62 N ATOM 252 CZ ARG A 18 3.725 -5.932 -12.024 1.00 2.12 C ATOM 253 NH1 ARG A 18 4.650 -6.686 -12.607 1.00 2.05 N ATOM 254 NH2 ARG A 18 2.568 -5.725 -12.638 1.00 3.17 N ATOM 0 H ARG A 18 5.541 -5.113 -5.855 1.00 0.21 H new ATOM 0 HA ARG A 18 7.951 -3.916 -6.816 1.00 0.26 H new ATOM 0 HB2 ARG A 18 7.425 -4.798 -8.865 1.00 0.35 H new ATOM 0 HB3 ARG A 18 6.642 -5.919 -7.770 1.00 0.35 H new ATOM 0 HG2 ARG A 18 4.471 -4.892 -8.184 1.00 0.50 H new ATOM 0 HG3 ARG A 18 5.207 -3.629 -9.149 1.00 0.50 H new ATOM 0 HD2 ARG A 18 6.036 -5.327 -10.759 1.00 0.65 H new ATOM 0 HD3 ARG A 18 5.328 -6.603 -9.787 1.00 0.65 H new ATOM 0 HE ARG A 18 3.196 -4.888 -10.369 1.00 1.62 H new ATOM 0 HH11 ARG A 18 5.532 -6.871 -12.130 1.00 2.05 H new ATOM 0 HH12 ARG A 18 4.478 -7.080 -13.532 1.00 2.05 H new ATOM 0 HH21 ARG A 18 1.843 -5.168 -12.185 1.00 3.17 H new ATOM 0 HH22 ARG A 18 2.403 -6.122 -13.563 1.00 3.17 H new ATOM 268 N VAL A 19 5.144 -2.233 -6.926 1.00 0.18 N ATOM 269 CA VAL A 19 4.561 -0.935 -7.207 1.00 0.19 C ATOM 270 C VAL A 19 5.083 0.073 -6.203 1.00 0.19 C ATOM 271 O VAL A 19 5.385 1.221 -6.536 1.00 0.21 O ATOM 272 CB VAL A 19 3.016 -0.998 -7.157 1.00 0.18 C ATOM 273 CG1 VAL A 19 2.414 0.396 -7.259 1.00 0.23 C ATOM 274 CG2 VAL A 19 2.492 -1.904 -8.268 1.00 0.19 C ATOM 0 H VAL A 19 4.532 -2.871 -6.416 1.00 0.18 H new ATOM 0 HA VAL A 19 4.847 -0.629 -8.213 1.00 0.19 H new ATOM 0 HB VAL A 19 2.715 -1.419 -6.198 1.00 0.18 H new ATOM 0 HG11 VAL A 19 1.327 0.326 -7.222 1.00 0.23 H new ATOM 0 HG12 VAL A 19 2.767 1.007 -6.428 1.00 0.23 H new ATOM 0 HG13 VAL A 19 2.716 0.855 -8.200 1.00 0.23 H new ATOM 0 HG21 VAL A 19 1.404 -1.941 -8.224 1.00 0.19 H new ATOM 0 HG22 VAL A 19 2.803 -1.510 -9.236 1.00 0.19 H new ATOM 0 HG23 VAL A 19 2.895 -2.908 -8.139 1.00 0.19 H new ATOM 284 N VAL A 20 5.217 -0.393 -4.975 1.00 0.21 N ATOM 285 CA VAL A 20 5.789 0.399 -3.911 1.00 0.23 C ATOM 286 C VAL A 20 7.236 0.759 -4.236 1.00 0.27 C ATOM 287 O VAL A 20 7.609 1.921 -4.139 1.00 0.33 O ATOM 288 CB VAL A 20 5.703 -0.345 -2.549 1.00 0.23 C ATOM 289 CG1 VAL A 20 6.714 0.214 -1.557 1.00 0.24 C ATOM 290 CG2 VAL A 20 4.297 -0.234 -1.970 1.00 0.22 C ATOM 0 H VAL A 20 4.932 -1.330 -4.691 1.00 0.21 H new ATOM 0 HA VAL A 20 5.211 1.319 -3.826 1.00 0.23 H new ATOM 0 HB VAL A 20 5.935 -1.395 -2.726 1.00 0.23 H new ATOM 0 HG11 VAL A 20 6.633 -0.324 -0.613 1.00 0.24 H new ATOM 0 HG12 VAL A 20 7.721 0.095 -1.957 1.00 0.24 H new ATOM 0 HG13 VAL A 20 6.513 1.272 -1.390 1.00 0.24 H new ATOM 0 HG21 VAL A 20 4.254 -0.760 -1.016 1.00 0.22 H new ATOM 0 HG22 VAL A 20 4.049 0.816 -1.817 1.00 0.22 H new ATOM 0 HG23 VAL A 20 3.582 -0.679 -2.662 1.00 0.22 H new ATOM 300 N SER A 21 8.033 -0.218 -4.657 1.00 0.27 N ATOM 301 CA SER A 21 9.448 0.020 -4.917 1.00 0.35 C ATOM 302 C SER A 21 9.652 1.040 -6.030 1.00 0.32 C ATOM 303 O SER A 21 10.549 1.876 -5.953 1.00 0.47 O ATOM 304 CB SER A 21 10.154 -1.282 -5.250 1.00 0.46 C ATOM 305 OG SER A 21 10.532 -1.979 -4.074 1.00 1.38 O ATOM 0 H SER A 21 7.726 -1.176 -4.824 1.00 0.27 H new ATOM 0 HA SER A 21 9.885 0.434 -4.008 1.00 0.35 H new ATOM 0 HB2 SER A 21 9.498 -1.910 -5.852 1.00 0.46 H new ATOM 0 HB3 SER A 21 11.038 -1.075 -5.853 1.00 0.46 H new ATOM 0 HG SER A 21 11.322 -1.553 -3.681 1.00 1.38 H new ATOM 311 N GLU A 22 8.818 0.971 -7.054 1.00 0.31 N ATOM 312 CA GLU A 22 8.888 1.920 -8.160 1.00 0.33 C ATOM 313 C GLU A 22 8.612 3.347 -7.693 1.00 0.32 C ATOM 314 O GLU A 22 9.349 4.271 -8.034 1.00 0.43 O ATOM 315 CB GLU A 22 7.896 1.533 -9.257 1.00 0.43 C ATOM 316 CG GLU A 22 8.214 0.210 -9.930 1.00 0.80 C ATOM 317 CD GLU A 22 9.528 0.237 -10.680 1.00 1.42 C ATOM 318 OE1 GLU A 22 9.533 0.642 -11.860 1.00 1.59 O ATOM 319 OE2 GLU A 22 10.562 -0.139 -10.090 1.00 2.26 O ATOM 0 H GLU A 22 8.084 0.269 -7.145 1.00 0.31 H new ATOM 0 HA GLU A 22 9.901 1.884 -8.560 1.00 0.33 H new ATOM 0 HB2 GLU A 22 6.896 1.481 -8.828 1.00 0.43 H new ATOM 0 HB3 GLU A 22 7.878 2.319 -10.012 1.00 0.43 H new ATOM 0 HG2 GLU A 22 8.246 -0.577 -9.177 1.00 0.80 H new ATOM 0 HG3 GLU A 22 7.411 -0.043 -10.622 1.00 0.80 H new ATOM 326 N GLU A 23 7.562 3.521 -6.901 1.00 0.28 N ATOM 327 CA GLU A 23 7.138 4.859 -6.493 1.00 0.30 C ATOM 328 C GLU A 23 7.927 5.378 -5.288 1.00 0.32 C ATOM 329 O GLU A 23 8.072 6.588 -5.111 1.00 0.49 O ATOM 330 CB GLU A 23 5.631 4.876 -6.199 1.00 0.37 C ATOM 331 CG GLU A 23 4.784 4.562 -7.421 1.00 0.41 C ATOM 332 CD GLU A 23 5.086 5.489 -8.574 1.00 0.57 C ATOM 333 OE1 GLU A 23 4.974 6.718 -8.398 1.00 0.77 O ATOM 334 OE2 GLU A 23 5.441 4.991 -9.660 1.00 0.74 O ATOM 0 H GLU A 23 6.991 2.762 -6.530 1.00 0.28 H new ATOM 0 HA GLU A 23 7.347 5.531 -7.325 1.00 0.30 H new ATOM 0 HB2 GLU A 23 5.411 4.151 -5.415 1.00 0.37 H new ATOM 0 HB3 GLU A 23 5.353 5.857 -5.813 1.00 0.37 H new ATOM 0 HG2 GLU A 23 4.961 3.531 -7.729 1.00 0.41 H new ATOM 0 HG3 GLU A 23 3.729 4.640 -7.160 1.00 0.41 H new ATOM 341 N SER A 24 8.443 4.472 -4.468 1.00 0.28 N ATOM 342 CA SER A 24 9.220 4.871 -3.301 1.00 0.32 C ATOM 343 C SER A 24 10.675 5.116 -3.688 1.00 0.35 C ATOM 344 O SER A 24 11.269 6.120 -3.304 1.00 0.48 O ATOM 345 CB SER A 24 9.140 3.806 -2.203 1.00 0.37 C ATOM 346 OG SER A 24 9.633 2.554 -2.658 1.00 1.23 O ATOM 0 H SER A 24 8.339 3.464 -4.587 1.00 0.28 H new ATOM 0 HA SER A 24 8.797 5.798 -2.914 1.00 0.32 H new ATOM 0 HB2 SER A 24 9.715 4.132 -1.336 1.00 0.37 H new ATOM 0 HB3 SER A 24 8.106 3.695 -1.877 1.00 0.37 H new ATOM 0 HG SER A 24 8.900 2.038 -3.053 1.00 1.23 H new ATOM 352 N GLY A 25 11.231 4.201 -4.475 1.00 0.31 N ATOM 353 CA GLY A 25 12.635 4.294 -4.850 1.00 0.38 C ATOM 354 C GLY A 25 13.507 3.361 -4.027 1.00 0.42 C ATOM 355 O GLY A 25 14.736 3.378 -4.141 1.00 0.54 O ATOM 0 H GLY A 25 10.737 3.396 -4.861 1.00 0.31 H new ATOM 0 HA2 GLY A 25 12.744 4.054 -5.908 1.00 0.38 H new ATOM 0 HA3 GLY A 25 12.978 5.320 -4.719 1.00 0.38 H new ATOM 359 N ILE A 26 12.874 2.538 -3.198 1.00 0.44 N ATOM 360 CA ILE A 26 13.605 1.626 -2.328 1.00 0.51 C ATOM 361 C ILE A 26 13.763 0.266 -3.001 1.00 0.55 C ATOM 362 O ILE A 26 12.802 -0.275 -3.552 1.00 0.80 O ATOM 363 CB ILE A 26 12.885 1.415 -0.979 1.00 0.54 C ATOM 364 CG1 ILE A 26 12.226 2.714 -0.496 1.00 0.53 C ATOM 365 CG2 ILE A 26 13.877 0.914 0.059 1.00 0.65 C ATOM 366 CD1 ILE A 26 11.232 2.502 0.630 1.00 0.60 C ATOM 0 H ILE A 26 11.859 2.484 -3.111 1.00 0.44 H new ATOM 0 HA ILE A 26 14.579 2.079 -2.143 1.00 0.51 H new ATOM 0 HB ILE A 26 12.101 0.671 -1.119 1.00 0.54 H new ATOM 0 HG12 ILE A 26 13.001 3.404 -0.162 1.00 0.53 H new ATOM 0 HG13 ILE A 26 11.718 3.189 -1.335 1.00 0.53 H new ATOM 0 HG21 ILE A 26 13.365 0.766 1.010 1.00 0.65 H new ATOM 0 HG22 ILE A 26 14.305 -0.032 -0.273 1.00 0.65 H new ATOM 0 HG23 ILE A 26 14.673 1.648 0.186 1.00 0.65 H new ATOM 0 HD11 ILE A 26 10.804 3.461 0.923 1.00 0.60 H new ATOM 0 HD12 ILE A 26 10.437 1.837 0.293 1.00 0.60 H new ATOM 0 HD13 ILE A 26 11.740 2.055 1.485 1.00 0.60 H new ATOM 378 N ALA A 27 14.977 -0.268 -2.969 1.00 0.45 N ATOM 379 CA ALA A 27 15.259 -1.588 -3.513 1.00 0.49 C ATOM 380 C ALA A 27 14.450 -2.662 -2.789 1.00 0.45 C ATOM 381 O ALA A 27 14.229 -2.577 -1.580 1.00 0.43 O ATOM 382 CB ALA A 27 16.750 -1.880 -3.403 1.00 0.57 C ATOM 0 H ALA A 27 15.790 0.200 -2.567 1.00 0.45 H new ATOM 0 HA ALA A 27 14.968 -1.602 -4.563 1.00 0.49 H new ATOM 0 HB1 ALA A 27 16.958 -2.869 -3.811 1.00 0.57 H new ATOM 0 HB2 ALA A 27 17.310 -1.131 -3.963 1.00 0.57 H new ATOM 0 HB3 ALA A 27 17.051 -1.849 -2.356 1.00 0.57 H new ATOM 388 N LEU A 28 14.029 -3.679 -3.540 1.00 0.48 N ATOM 389 CA LEU A 28 13.207 -4.760 -3.001 1.00 0.49 C ATOM 390 C LEU A 28 13.903 -5.419 -1.815 1.00 0.51 C ATOM 391 O LEU A 28 13.265 -5.797 -0.833 1.00 0.52 O ATOM 392 CB LEU A 28 12.963 -5.825 -4.073 1.00 0.57 C ATOM 393 CG LEU A 28 11.527 -6.356 -4.189 1.00 0.62 C ATOM 394 CD1 LEU A 28 10.942 -6.677 -2.818 1.00 0.95 C ATOM 395 CD2 LEU A 28 10.648 -5.367 -4.938 1.00 0.97 C ATOM 0 H LEU A 28 14.246 -3.776 -4.532 1.00 0.48 H new ATOM 0 HA LEU A 28 12.258 -4.332 -2.679 1.00 0.49 H new ATOM 0 HB2 LEU A 28 13.254 -5.412 -5.039 1.00 0.57 H new ATOM 0 HB3 LEU A 28 13.625 -6.668 -3.875 1.00 0.57 H new ATOM 0 HG LEU A 28 11.558 -7.285 -4.759 1.00 0.62 H new ATOM 0 HD11 LEU A 28 9.925 -7.051 -2.935 1.00 0.95 H new ATOM 0 HD12 LEU A 28 11.554 -7.436 -2.330 1.00 0.95 H new ATOM 0 HD13 LEU A 28 10.929 -5.774 -2.207 1.00 0.95 H new ATOM 0 HD21 LEU A 28 9.635 -5.762 -5.009 1.00 0.97 H new ATOM 0 HD22 LEU A 28 10.630 -4.418 -4.403 1.00 0.97 H new ATOM 0 HD23 LEU A 28 11.048 -5.211 -5.940 1.00 0.97 H new ATOM 407 N GLU A 29 15.224 -5.527 -1.902 1.00 0.56 N ATOM 408 CA GLU A 29 15.998 -6.229 -0.884 1.00 0.62 C ATOM 409 C GLU A 29 16.023 -5.442 0.418 1.00 0.59 C ATOM 410 O GLU A 29 16.379 -5.968 1.471 1.00 0.65 O ATOM 411 CB GLU A 29 17.417 -6.475 -1.376 1.00 0.72 C ATOM 412 CG GLU A 29 17.465 -7.099 -2.759 1.00 0.77 C ATOM 413 CD GLU A 29 16.872 -8.491 -2.796 1.00 1.39 C ATOM 414 OE1 GLU A 29 17.437 -9.397 -2.142 1.00 1.47 O ATOM 415 OE2 GLU A 29 15.843 -8.688 -3.474 1.00 2.23 O ATOM 0 H GLU A 29 15.780 -5.139 -2.664 1.00 0.56 H new ATOM 0 HA GLU A 29 15.518 -7.189 -0.694 1.00 0.62 H new ATOM 0 HB2 GLU A 29 17.960 -5.530 -1.391 1.00 0.72 H new ATOM 0 HB3 GLU A 29 17.932 -7.127 -0.671 1.00 0.72 H new ATOM 0 HG2 GLU A 29 16.926 -6.461 -3.459 1.00 0.77 H new ATOM 0 HG3 GLU A 29 18.500 -7.141 -3.098 1.00 0.77 H new ATOM 422 N GLU A 30 15.622 -4.182 0.343 1.00 0.52 N ATOM 423 CA GLU A 30 15.629 -3.320 1.509 1.00 0.51 C ATOM 424 C GLU A 30 14.218 -3.073 1.999 1.00 0.43 C ATOM 425 O GLU A 30 14.016 -2.434 3.033 1.00 0.44 O ATOM 426 CB GLU A 30 16.285 -1.974 1.214 1.00 0.56 C ATOM 427 CG GLU A 30 17.678 -2.062 0.624 1.00 0.67 C ATOM 428 CD GLU A 30 18.572 -3.004 1.397 1.00 1.34 C ATOM 429 OE1 GLU A 30 18.870 -2.708 2.574 1.00 1.48 O ATOM 430 OE2 GLU A 30 18.974 -4.040 0.837 1.00 2.24 O ATOM 0 H GLU A 30 15.289 -3.737 -0.512 1.00 0.52 H new ATOM 0 HA GLU A 30 16.207 -3.834 2.277 1.00 0.51 H new ATOM 0 HB2 GLU A 30 15.648 -1.419 0.525 1.00 0.56 H new ATOM 0 HB3 GLU A 30 16.333 -1.399 2.138 1.00 0.56 H new ATOM 0 HG2 GLU A 30 17.611 -2.397 -0.411 1.00 0.67 H new ATOM 0 HG3 GLU A 30 18.127 -1.069 0.610 1.00 0.67 H new ATOM 437 N LEU A 31 13.244 -3.574 1.259 1.00 0.39 N ATOM 438 CA LEU A 31 11.861 -3.331 1.604 1.00 0.33 C ATOM 439 C LEU A 31 11.441 -4.254 2.740 1.00 0.34 C ATOM 440 O LEU A 31 11.099 -5.420 2.529 1.00 0.41 O ATOM 441 CB LEU A 31 10.956 -3.529 0.382 1.00 0.36 C ATOM 442 CG LEU A 31 9.506 -3.086 0.579 1.00 0.51 C ATOM 443 CD1 LEU A 31 9.445 -1.610 0.935 1.00 1.01 C ATOM 444 CD2 LEU A 31 8.691 -3.363 -0.671 1.00 1.10 C ATOM 0 H LEU A 31 13.386 -4.145 0.426 1.00 0.39 H new ATOM 0 HA LEU A 31 11.757 -2.298 1.935 1.00 0.33 H new ATOM 0 HB2 LEU A 31 11.378 -2.978 -0.458 1.00 0.36 H new ATOM 0 HB3 LEU A 31 10.965 -4.584 0.108 1.00 0.36 H new ATOM 0 HG LEU A 31 9.080 -3.659 1.403 1.00 0.51 H new ATOM 0 HD11 LEU A 31 8.406 -1.311 1.072 1.00 1.01 H new ATOM 0 HD12 LEU A 31 9.997 -1.435 1.858 1.00 1.01 H new ATOM 0 HD13 LEU A 31 9.888 -1.023 0.131 1.00 1.01 H new ATOM 0 HD21 LEU A 31 7.662 -3.041 -0.513 1.00 1.10 H new ATOM 0 HD22 LEU A 31 9.117 -2.816 -1.512 1.00 1.10 H new ATOM 0 HD23 LEU A 31 8.708 -4.431 -0.887 1.00 1.10 H new ATOM 456 N THR A 32 11.497 -3.722 3.944 1.00 0.34 N ATOM 457 CA THR A 32 11.075 -4.438 5.131 1.00 0.38 C ATOM 458 C THR A 32 10.019 -3.604 5.841 1.00 0.35 C ATOM 459 O THR A 32 9.838 -2.431 5.515 1.00 0.36 O ATOM 460 CB THR A 32 12.273 -4.719 6.081 1.00 0.51 C ATOM 461 OG1 THR A 32 12.676 -3.510 6.739 1.00 0.60 O ATOM 462 CG2 THR A 32 13.471 -5.293 5.317 1.00 0.57 C ATOM 0 H THR A 32 11.837 -2.778 4.128 1.00 0.34 H new ATOM 0 HA THR A 32 10.662 -5.404 4.841 1.00 0.38 H new ATOM 0 HB THR A 32 11.943 -5.453 6.817 1.00 0.51 H new ATOM 0 HG1 THR A 32 12.822 -3.689 7.691 1.00 0.60 H new ATOM 0 HG21 THR A 32 14.291 -5.478 6.011 1.00 0.57 H new ATOM 0 HG22 THR A 32 13.183 -6.229 4.839 1.00 0.57 H new ATOM 0 HG23 THR A 32 13.793 -4.581 4.557 1.00 0.57 H new ATOM 470 N ASP A 33 9.328 -4.186 6.810 1.00 0.41 N ATOM 471 CA ASP A 33 8.297 -3.450 7.543 1.00 0.51 C ATOM 472 C ASP A 33 8.912 -2.406 8.473 1.00 0.51 C ATOM 473 O ASP A 33 8.195 -1.636 9.115 1.00 0.65 O ATOM 474 CB ASP A 33 7.361 -4.391 8.314 1.00 0.68 C ATOM 475 CG ASP A 33 8.071 -5.329 9.268 1.00 1.49 C ATOM 476 OD1 ASP A 33 8.743 -4.847 10.198 1.00 2.29 O ATOM 477 OD2 ASP A 33 7.924 -6.559 9.104 1.00 1.90 O ATOM 0 H ASP A 33 9.456 -5.153 7.108 1.00 0.41 H new ATOM 0 HA ASP A 33 7.694 -2.925 6.802 1.00 0.51 H new ATOM 0 HB2 ASP A 33 6.645 -3.792 8.877 1.00 0.68 H new ATOM 0 HB3 ASP A 33 6.789 -4.983 7.599 1.00 0.68 H new ATOM 482 N ASP A 34 10.242 -2.370 8.527 1.00 0.44 N ATOM 483 CA ASP A 34 10.956 -1.363 9.307 1.00 0.58 C ATOM 484 C ASP A 34 10.927 -0.022 8.587 1.00 0.49 C ATOM 485 O ASP A 34 11.124 1.028 9.197 1.00 0.63 O ATOM 486 CB ASP A 34 12.413 -1.775 9.540 1.00 0.74 C ATOM 487 CG ASP A 34 12.555 -3.130 10.199 1.00 1.52 C ATOM 488 OD1 ASP A 34 12.353 -3.228 11.428 1.00 1.77 O ATOM 489 OD2 ASP A 34 12.890 -4.101 9.485 1.00 2.29 O ATOM 0 H ASP A 34 10.848 -3.029 8.038 1.00 0.44 H new ATOM 0 HA ASP A 34 10.456 -1.275 10.272 1.00 0.58 H new ATOM 0 HB2 ASP A 34 12.937 -1.787 8.584 1.00 0.74 H new ATOM 0 HB3 ASP A 34 12.901 -1.024 10.161 1.00 0.74 H new ATOM 494 N SER A 35 10.688 -0.063 7.283 1.00 0.34 N ATOM 495 CA SER A 35 10.637 1.153 6.483 1.00 0.37 C ATOM 496 C SER A 35 9.352 1.920 6.772 1.00 0.29 C ATOM 497 O SER A 35 8.314 1.330 7.090 1.00 0.32 O ATOM 498 CB SER A 35 10.739 0.807 4.994 1.00 0.46 C ATOM 499 OG SER A 35 11.883 0.010 4.736 1.00 1.06 O ATOM 0 H SER A 35 10.527 -0.923 6.758 1.00 0.34 H new ATOM 0 HA SER A 35 11.482 1.788 6.749 1.00 0.37 H new ATOM 0 HB2 SER A 35 9.842 0.275 4.678 1.00 0.46 H new ATOM 0 HB3 SER A 35 10.790 1.724 4.406 1.00 0.46 H new ATOM 0 HG SER A 35 11.927 -0.200 3.780 1.00 1.06 H new ATOM 505 N ASN A 36 9.422 3.236 6.672 1.00 0.32 N ATOM 506 CA ASN A 36 8.282 4.079 6.970 1.00 0.28 C ATOM 507 C ASN A 36 8.049 5.022 5.800 1.00 0.26 C ATOM 508 O ASN A 36 8.915 5.823 5.472 1.00 0.29 O ATOM 509 CB ASN A 36 8.533 4.835 8.288 1.00 0.31 C ATOM 510 CG ASN A 36 7.398 5.751 8.701 1.00 0.34 C ATOM 511 OD1 ASN A 36 7.602 6.718 9.426 1.00 0.61 O ATOM 512 ND2 ASN A 36 6.204 5.474 8.228 1.00 0.80 N ATOM 0 H ASN A 36 10.259 3.743 6.386 1.00 0.32 H new ATOM 0 HA ASN A 36 7.381 3.481 7.105 1.00 0.28 H new ATOM 0 HB2 ASN A 36 8.708 4.110 9.083 1.00 0.31 H new ATOM 0 HB3 ASN A 36 9.444 5.425 8.188 1.00 0.31 H new ATOM 0 HD21 ASN A 36 5.411 6.072 8.462 1.00 0.80 H new ATOM 0 HD22 ASN A 36 6.070 4.661 7.627 1.00 0.80 H new ATOM 519 N PHE A 37 6.886 4.900 5.158 1.00 0.24 N ATOM 520 CA PHE A 37 6.591 5.657 3.939 1.00 0.24 C ATOM 521 C PHE A 37 6.822 7.148 4.138 1.00 0.26 C ATOM 522 O PHE A 37 7.594 7.773 3.409 1.00 0.29 O ATOM 523 CB PHE A 37 5.149 5.413 3.493 1.00 0.24 C ATOM 524 CG PHE A 37 4.988 4.130 2.738 1.00 0.27 C ATOM 525 CD1 PHE A 37 5.616 3.974 1.517 1.00 0.41 C ATOM 526 CD2 PHE A 37 4.233 3.084 3.241 1.00 0.35 C ATOM 527 CE1 PHE A 37 5.500 2.805 0.808 1.00 0.47 C ATOM 528 CE2 PHE A 37 4.108 1.904 2.531 1.00 0.40 C ATOM 529 CZ PHE A 37 4.747 1.765 1.313 1.00 0.40 C ATOM 0 H PHE A 37 6.132 4.284 5.462 1.00 0.24 H new ATOM 0 HA PHE A 37 7.272 5.307 3.164 1.00 0.24 H new ATOM 0 HB2 PHE A 37 4.500 5.399 4.368 1.00 0.24 H new ATOM 0 HB3 PHE A 37 4.821 6.242 2.866 1.00 0.24 H new ATOM 0 HD1 PHE A 37 6.207 4.784 1.115 1.00 0.41 H new ATOM 0 HD2 PHE A 37 3.738 3.191 4.195 1.00 0.35 H new ATOM 0 HE1 PHE A 37 5.998 2.699 -0.145 1.00 0.47 H new ATOM 0 HE2 PHE A 37 3.513 1.094 2.927 1.00 0.40 H new ATOM 0 HZ PHE A 37 4.657 0.843 0.757 1.00 0.40 H new ATOM 539 N ALA A 38 6.185 7.698 5.151 1.00 0.31 N ATOM 540 CA ALA A 38 6.288 9.117 5.431 1.00 0.36 C ATOM 541 C ALA A 38 7.682 9.494 5.928 1.00 0.39 C ATOM 542 O ALA A 38 8.124 10.627 5.755 1.00 0.42 O ATOM 543 CB ALA A 38 5.236 9.498 6.446 1.00 0.46 C ATOM 0 H ALA A 38 5.588 7.182 5.797 1.00 0.31 H new ATOM 0 HA ALA A 38 6.121 9.669 4.506 1.00 0.36 H new ATOM 0 HB1 ALA A 38 5.308 10.564 6.661 1.00 0.46 H new ATOM 0 HB2 ALA A 38 4.247 9.274 6.046 1.00 0.46 H new ATOM 0 HB3 ALA A 38 5.393 8.931 7.364 1.00 0.46 H new ATOM 549 N ASP A 39 8.377 8.536 6.526 1.00 0.41 N ATOM 550 CA ASP A 39 9.725 8.771 7.043 1.00 0.48 C ATOM 551 C ASP A 39 10.763 8.677 5.932 1.00 0.48 C ATOM 552 O ASP A 39 11.875 9.186 6.052 1.00 0.56 O ATOM 553 CB ASP A 39 10.046 7.768 8.146 1.00 0.54 C ATOM 554 CG ASP A 39 11.366 8.032 8.833 1.00 0.67 C ATOM 555 OD1 ASP A 39 11.543 9.144 9.368 1.00 0.83 O ATOM 556 OD2 ASP A 39 12.241 7.141 8.823 1.00 0.73 O ATOM 0 H ASP A 39 8.032 7.586 6.667 1.00 0.41 H new ATOM 0 HA ASP A 39 9.759 9.780 7.455 1.00 0.48 H new ATOM 0 HB2 ASP A 39 9.248 7.788 8.888 1.00 0.54 H new ATOM 0 HB3 ASP A 39 10.061 6.764 7.721 1.00 0.54 H new ATOM 561 N MET A 40 10.392 8.017 4.853 1.00 0.42 N ATOM 562 CA MET A 40 11.269 7.864 3.713 1.00 0.46 C ATOM 563 C MET A 40 11.143 9.075 2.795 1.00 0.46 C ATOM 564 O MET A 40 12.069 9.418 2.062 1.00 0.58 O ATOM 565 CB MET A 40 10.910 6.567 2.978 1.00 0.47 C ATOM 566 CG MET A 40 11.866 6.182 1.863 1.00 0.90 C ATOM 567 SD MET A 40 11.533 7.022 0.302 1.00 1.73 S ATOM 568 CE MET A 40 12.953 6.503 -0.661 1.00 2.48 C ATOM 0 H MET A 40 9.479 7.575 4.743 1.00 0.42 H new ATOM 0 HA MET A 40 12.306 7.803 4.042 1.00 0.46 H new ATOM 0 HB2 MET A 40 10.873 5.754 3.703 1.00 0.47 H new ATOM 0 HB3 MET A 40 9.908 6.668 2.560 1.00 0.47 H new ATOM 0 HG2 MET A 40 12.885 6.407 2.176 1.00 0.90 H new ATOM 0 HG3 MET A 40 11.811 5.105 1.705 1.00 0.90 H new ATOM 0 HE1 MET A 40 13.150 7.236 -1.443 1.00 2.48 H new ATOM 0 HE2 MET A 40 13.824 6.424 -0.011 1.00 2.48 H new ATOM 0 HE3 MET A 40 12.750 5.533 -1.115 1.00 2.48 H new ATOM 578 N GLY A 41 10.000 9.742 2.875 1.00 0.40 N ATOM 579 CA GLY A 41 9.772 10.917 2.055 1.00 0.44 C ATOM 580 C GLY A 41 8.602 10.751 1.111 1.00 0.36 C ATOM 581 O GLY A 41 8.437 11.535 0.179 1.00 0.40 O ATOM 0 H GLY A 41 9.227 9.492 3.492 1.00 0.40 H new ATOM 0 HA2 GLY A 41 9.594 11.777 2.701 1.00 0.44 H new ATOM 0 HA3 GLY A 41 10.671 11.133 1.478 1.00 0.44 H new ATOM 585 N ILE A 42 7.800 9.722 1.340 1.00 0.31 N ATOM 586 CA ILE A 42 6.598 9.502 0.542 1.00 0.27 C ATOM 587 C ILE A 42 5.578 10.601 0.818 1.00 0.27 C ATOM 588 O ILE A 42 4.985 10.658 1.895 1.00 0.28 O ATOM 589 CB ILE A 42 5.970 8.118 0.841 1.00 0.26 C ATOM 590 CG1 ILE A 42 6.893 7.001 0.360 1.00 0.35 C ATOM 591 CG2 ILE A 42 4.592 7.985 0.208 1.00 0.28 C ATOM 592 CD1 ILE A 42 7.003 6.889 -1.148 1.00 0.52 C ATOM 0 H ILE A 42 7.957 9.026 2.069 1.00 0.31 H new ATOM 0 HA ILE A 42 6.884 9.527 -0.509 1.00 0.27 H new ATOM 0 HB ILE A 42 5.848 8.031 1.921 1.00 0.26 H new ATOM 0 HG12 ILE A 42 7.888 7.164 0.774 1.00 0.35 H new ATOM 0 HG13 ILE A 42 6.534 6.052 0.758 1.00 0.35 H new ATOM 0 HG21 ILE A 42 4.180 7.002 0.437 1.00 0.28 H new ATOM 0 HG22 ILE A 42 3.933 8.757 0.606 1.00 0.28 H new ATOM 0 HG23 ILE A 42 4.675 8.101 -0.873 1.00 0.28 H new ATOM 0 HD11 ILE A 42 7.677 6.072 -1.404 1.00 0.52 H new ATOM 0 HD12 ILE A 42 6.018 6.693 -1.571 1.00 0.52 H new ATOM 0 HD13 ILE A 42 7.393 7.822 -1.555 1.00 0.52 H new ATOM 604 N ASP A 43 5.403 11.487 -0.154 1.00 0.33 N ATOM 605 CA ASP A 43 4.475 12.609 -0.010 1.00 0.40 C ATOM 606 C ASP A 43 3.046 12.147 -0.230 1.00 0.35 C ATOM 607 O ASP A 43 2.791 10.974 -0.511 1.00 0.33 O ATOM 608 CB ASP A 43 4.777 13.719 -1.021 1.00 0.56 C ATOM 609 CG ASP A 43 6.216 14.178 -0.997 1.00 1.09 C ATOM 610 OD1 ASP A 43 6.568 15.015 -0.140 1.00 1.40 O ATOM 611 OD2 ASP A 43 6.997 13.717 -1.853 1.00 1.94 O ATOM 0 H ASP A 43 5.889 11.454 -1.050 1.00 0.33 H new ATOM 0 HA ASP A 43 4.598 12.997 1.001 1.00 0.40 H new ATOM 0 HB2 ASP A 43 4.533 13.364 -2.022 1.00 0.56 H new ATOM 0 HB3 ASP A 43 4.128 14.571 -0.818 1.00 0.56 H new ATOM 616 N SER A 44 2.115 13.089 -0.114 1.00 0.39 N ATOM 617 CA SER A 44 0.720 12.851 -0.454 1.00 0.43 C ATOM 618 C SER A 44 0.612 12.407 -1.905 1.00 0.40 C ATOM 619 O SER A 44 -0.201 11.559 -2.259 1.00 0.42 O ATOM 620 CB SER A 44 -0.071 14.141 -0.248 1.00 0.57 C ATOM 621 OG SER A 44 0.660 15.248 -0.862 1.00 1.03 O ATOM 0 H SER A 44 2.307 14.034 0.217 1.00 0.39 H new ATOM 0 HA SER A 44 0.316 12.067 0.186 1.00 0.43 H new ATOM 0 HB2 SER A 44 -1.062 14.051 -0.693 1.00 0.57 H new ATOM 0 HB3 SER A 44 -0.215 14.329 0.816 1.00 0.57 H new ATOM 626 N LEU A 45 1.469 12.989 -2.729 1.00 0.39 N ATOM 627 CA LEU A 45 1.503 12.698 -4.153 1.00 0.39 C ATOM 628 C LEU A 45 1.877 11.235 -4.379 1.00 0.32 C ATOM 629 O LEU A 45 1.097 10.467 -4.942 1.00 0.32 O ATOM 630 CB LEU A 45 2.512 13.641 -4.840 1.00 0.47 C ATOM 631 CG LEU A 45 2.482 13.698 -6.376 1.00 0.54 C ATOM 632 CD1 LEU A 45 3.133 12.472 -6.997 1.00 0.52 C ATOM 633 CD2 LEU A 45 1.054 13.851 -6.880 1.00 0.59 C ATOM 0 H LEU A 45 2.160 13.676 -2.429 1.00 0.39 H new ATOM 0 HA LEU A 45 0.517 12.863 -4.588 1.00 0.39 H new ATOM 0 HB2 LEU A 45 2.346 14.649 -4.461 1.00 0.47 H new ATOM 0 HB3 LEU A 45 3.515 13.346 -4.532 1.00 0.47 H new ATOM 0 HG LEU A 45 3.059 14.571 -6.681 1.00 0.54 H new ATOM 0 HD11 LEU A 45 3.092 12.549 -8.083 1.00 0.52 H new ATOM 0 HD12 LEU A 45 4.173 12.411 -6.676 1.00 0.52 H new ATOM 0 HD13 LEU A 45 2.601 11.576 -6.677 1.00 0.52 H new ATOM 0 HD21 LEU A 45 1.055 13.889 -7.969 1.00 0.59 H new ATOM 0 HD22 LEU A 45 0.458 13.001 -6.547 1.00 0.59 H new ATOM 0 HD23 LEU A 45 0.625 14.772 -6.485 1.00 0.59 H new ATOM 645 N SER A 46 3.060 10.858 -3.914 1.00 0.30 N ATOM 646 CA SER A 46 3.582 9.512 -4.109 1.00 0.28 C ATOM 647 C SER A 46 2.633 8.457 -3.533 1.00 0.25 C ATOM 648 O SER A 46 2.301 7.477 -4.198 1.00 0.25 O ATOM 649 CB SER A 46 4.955 9.411 -3.441 1.00 0.35 C ATOM 650 OG SER A 46 5.672 10.631 -3.579 1.00 1.22 O ATOM 0 H SER A 46 3.683 11.474 -3.392 1.00 0.30 H new ATOM 0 HA SER A 46 3.673 9.321 -5.178 1.00 0.28 H new ATOM 0 HB2 SER A 46 4.834 9.172 -2.384 1.00 0.35 H new ATOM 0 HB3 SER A 46 5.524 8.596 -3.889 1.00 0.35 H new ATOM 0 HG SER A 46 6.546 10.548 -3.144 1.00 1.22 H new ATOM 656 N SER A 47 2.175 8.681 -2.309 1.00 0.27 N ATOM 657 CA SER A 47 1.318 7.719 -1.623 1.00 0.33 C ATOM 658 C SER A 47 -0.032 7.582 -2.322 1.00 0.32 C ATOM 659 O SER A 47 -0.662 6.519 -2.283 1.00 0.36 O ATOM 660 CB SER A 47 1.124 8.145 -0.169 1.00 0.44 C ATOM 661 OG SER A 47 0.635 9.470 -0.086 1.00 0.81 O ATOM 0 H SER A 47 2.382 9.521 -1.769 1.00 0.27 H new ATOM 0 HA SER A 47 1.805 6.744 -1.651 1.00 0.33 H new ATOM 0 HB2 SER A 47 0.427 7.466 0.322 1.00 0.44 H new ATOM 0 HB3 SER A 47 2.072 8.070 0.364 1.00 0.44 H new ATOM 0 HG SER A 47 1.387 10.091 0.009 1.00 0.81 H new ATOM 667 N MET A 48 -0.464 8.653 -2.970 1.00 0.32 N ATOM 668 CA MET A 48 -1.725 8.643 -3.694 1.00 0.35 C ATOM 669 C MET A 48 -1.554 7.892 -4.999 1.00 0.31 C ATOM 670 O MET A 48 -2.456 7.183 -5.449 1.00 0.37 O ATOM 671 CB MET A 48 -2.194 10.066 -3.982 1.00 0.41 C ATOM 672 CG MET A 48 -3.655 10.149 -4.407 1.00 0.52 C ATOM 673 SD MET A 48 -4.767 9.442 -3.175 1.00 1.75 S ATOM 674 CE MET A 48 -6.356 9.715 -3.951 1.00 2.25 C ATOM 0 H MET A 48 0.040 9.539 -3.009 1.00 0.32 H new ATOM 0 HA MET A 48 -2.476 8.148 -3.078 1.00 0.35 H new ATOM 0 HB2 MET A 48 -2.048 10.676 -3.091 1.00 0.41 H new ATOM 0 HB3 MET A 48 -1.570 10.494 -4.767 1.00 0.41 H new ATOM 0 HG2 MET A 48 -3.922 11.192 -4.579 1.00 0.52 H new ATOM 0 HG3 MET A 48 -3.786 9.626 -5.354 1.00 0.52 H new ATOM 0 HE1 MET A 48 -7.122 9.149 -3.421 1.00 2.25 H new ATOM 0 HE2 MET A 48 -6.600 10.777 -3.916 1.00 2.25 H new ATOM 0 HE3 MET A 48 -6.315 9.386 -4.989 1.00 2.25 H new ATOM 684 N VAL A 49 -0.375 8.039 -5.588 1.00 0.27 N ATOM 685 CA VAL A 49 -0.054 7.385 -6.838 1.00 0.25 C ATOM 686 C VAL A 49 -0.035 5.876 -6.633 1.00 0.20 C ATOM 687 O VAL A 49 -0.677 5.140 -7.373 1.00 0.22 O ATOM 688 CB VAL A 49 1.314 7.877 -7.378 1.00 0.28 C ATOM 689 CG1 VAL A 49 1.823 6.964 -8.479 1.00 0.34 C ATOM 690 CG2 VAL A 49 1.217 9.315 -7.890 1.00 0.36 C ATOM 0 H VAL A 49 0.379 8.613 -5.211 1.00 0.27 H new ATOM 0 HA VAL A 49 -0.817 7.636 -7.575 1.00 0.25 H new ATOM 0 HB VAL A 49 2.023 7.852 -6.551 1.00 0.28 H new ATOM 0 HG11 VAL A 49 2.784 7.331 -8.841 1.00 0.34 H new ATOM 0 HG12 VAL A 49 1.944 5.954 -8.087 1.00 0.34 H new ATOM 0 HG13 VAL A 49 1.107 6.951 -9.301 1.00 0.34 H new ATOM 0 HG21 VAL A 49 2.190 9.635 -8.263 1.00 0.36 H new ATOM 0 HG22 VAL A 49 0.485 9.366 -8.696 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.907 9.971 -7.076 1.00 0.36 H new ATOM 700 N ILE A 50 0.686 5.431 -5.610 1.00 0.18 N ATOM 701 CA ILE A 50 0.763 4.021 -5.272 1.00 0.18 C ATOM 702 C ILE A 50 -0.633 3.415 -5.121 1.00 0.20 C ATOM 703 O ILE A 50 -0.953 2.412 -5.758 1.00 0.20 O ATOM 704 CB ILE A 50 1.554 3.811 -3.971 1.00 0.20 C ATOM 705 CG1 ILE A 50 2.922 4.478 -4.076 1.00 0.21 C ATOM 706 CG2 ILE A 50 1.709 2.327 -3.687 1.00 0.26 C ATOM 707 CD1 ILE A 50 3.709 4.461 -2.786 1.00 0.22 C ATOM 0 H ILE A 50 1.230 6.037 -4.996 1.00 0.18 H new ATOM 0 HA ILE A 50 1.281 3.518 -6.089 1.00 0.18 H new ATOM 0 HB ILE A 50 1.006 4.267 -3.147 1.00 0.20 H new ATOM 0 HG12 ILE A 50 3.502 3.977 -4.851 1.00 0.21 H new ATOM 0 HG13 ILE A 50 2.788 5.511 -4.396 1.00 0.21 H new ATOM 0 HG21 ILE A 50 2.271 2.190 -2.763 1.00 0.26 H new ATOM 0 HG22 ILE A 50 0.724 1.872 -3.584 1.00 0.26 H new ATOM 0 HG23 ILE A 50 2.243 1.853 -4.510 1.00 0.26 H new ATOM 0 HD11 ILE A 50 4.670 4.953 -2.939 1.00 0.22 H new ATOM 0 HD12 ILE A 50 3.151 4.988 -2.012 1.00 0.22 H new ATOM 0 HD13 ILE A 50 3.875 3.430 -2.475 1.00 0.22 H new ATOM 719 N GLY A 51 -1.462 4.039 -4.282 1.00 0.24 N ATOM 720 CA GLY A 51 -2.824 3.561 -4.077 1.00 0.29 C ATOM 721 C GLY A 51 -3.636 3.562 -5.358 1.00 0.25 C ATOM 722 O GLY A 51 -4.396 2.629 -5.620 1.00 0.25 O ATOM 0 H GLY A 51 -1.215 4.867 -3.740 1.00 0.24 H new ATOM 0 HA2 GLY A 51 -2.794 2.550 -3.670 1.00 0.29 H new ATOM 0 HA3 GLY A 51 -3.319 4.189 -3.336 1.00 0.29 H new ATOM 726 N SER A 52 -3.486 4.616 -6.150 1.00 0.26 N ATOM 727 CA SER A 52 -4.140 4.689 -7.465 1.00 0.26 C ATOM 728 C SER A 52 -3.689 3.535 -8.357 1.00 0.22 C ATOM 729 O SER A 52 -4.506 2.886 -9.008 1.00 0.23 O ATOM 730 CB SER A 52 -3.841 6.020 -8.178 1.00 0.35 C ATOM 731 OG SER A 52 -4.835 6.319 -9.147 1.00 0.92 O ATOM 0 H SER A 52 -2.922 5.432 -5.913 1.00 0.26 H new ATOM 0 HA SER A 52 -5.214 4.621 -7.289 1.00 0.26 H new ATOM 0 HB2 SER A 52 -3.791 6.825 -7.445 1.00 0.35 H new ATOM 0 HB3 SER A 52 -2.865 5.966 -8.660 1.00 0.35 H new ATOM 0 HG SER A 52 -4.621 7.170 -9.583 1.00 0.92 H new ATOM 737 N ARG A 53 -2.387 3.271 -8.368 1.00 0.21 N ATOM 738 CA ARG A 53 -1.819 2.260 -9.250 1.00 0.21 C ATOM 739 C ARG A 53 -2.258 0.851 -8.851 1.00 0.21 C ATOM 740 O ARG A 53 -2.221 -0.072 -9.666 1.00 0.28 O ATOM 741 CB ARG A 53 -0.308 2.392 -9.307 1.00 0.26 C ATOM 742 CG ARG A 53 0.089 3.716 -9.922 1.00 0.37 C ATOM 743 CD ARG A 53 1.556 3.760 -10.313 1.00 0.45 C ATOM 744 NE ARG A 53 1.816 3.213 -11.649 1.00 0.67 N ATOM 745 CZ ARG A 53 3.043 3.013 -12.132 1.00 0.95 C ATOM 746 NH1 ARG A 53 4.103 3.401 -11.436 1.00 1.13 N ATOM 747 NH2 ARG A 53 3.217 2.448 -13.320 1.00 1.23 N ATOM 0 H ARG A 53 -1.705 3.744 -7.775 1.00 0.21 H new ATOM 0 HA ARG A 53 -2.205 2.431 -10.255 1.00 0.21 H new ATOM 0 HB2 ARG A 53 0.107 2.313 -8.302 1.00 0.26 H new ATOM 0 HB3 ARG A 53 0.112 1.573 -9.891 1.00 0.26 H new ATOM 0 HG2 ARG A 53 -0.524 3.902 -10.804 1.00 0.37 H new ATOM 0 HG3 ARG A 53 -0.119 4.518 -9.214 1.00 0.37 H new ATOM 0 HD2 ARG A 53 1.904 4.792 -10.276 1.00 0.45 H new ATOM 0 HD3 ARG A 53 2.137 3.201 -9.580 1.00 0.45 H new ATOM 0 HE ARG A 53 1.018 2.974 -12.238 1.00 0.67 H new ATOM 0 HH11 ARG A 53 3.981 3.853 -10.530 1.00 1.13 H new ATOM 0 HH12 ARG A 53 5.041 3.247 -11.807 1.00 1.13 H new ATOM 0 HH21 ARG A 53 2.408 2.163 -13.872 1.00 1.23 H new ATOM 0 HH22 ARG A 53 4.159 2.299 -13.681 1.00 1.23 H new ATOM 761 N PHE A 54 -2.692 0.696 -7.598 1.00 0.17 N ATOM 762 CA PHE A 54 -3.314 -0.551 -7.152 1.00 0.20 C ATOM 763 C PHE A 54 -4.551 -0.827 -7.982 1.00 0.23 C ATOM 764 O PHE A 54 -4.807 -1.956 -8.392 1.00 0.28 O ATOM 765 CB PHE A 54 -3.748 -0.463 -5.687 1.00 0.22 C ATOM 766 CG PHE A 54 -2.638 -0.484 -4.680 1.00 0.20 C ATOM 767 CD1 PHE A 54 -1.347 -0.751 -5.088 1.00 0.17 C ATOM 768 CD2 PHE A 54 -2.875 -0.224 -3.342 1.00 0.26 C ATOM 769 CE1 PHE A 54 -0.310 -0.766 -4.187 1.00 0.18 C ATOM 770 CE2 PHE A 54 -1.838 -0.242 -2.428 1.00 0.26 C ATOM 771 CZ PHE A 54 -0.618 -0.534 -2.781 1.00 0.19 C ATOM 0 H PHE A 54 -2.624 1.415 -6.878 1.00 0.17 H new ATOM 0 HA PHE A 54 -2.577 -1.346 -7.266 1.00 0.20 H new ATOM 0 HB2 PHE A 54 -4.321 0.454 -5.551 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -4.422 -1.293 -5.476 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -1.149 -0.951 -6.131 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -3.879 -0.005 -3.009 1.00 0.26 H new ATOM 0 HE1 PHE A 54 0.705 -0.945 -4.511 1.00 0.18 H new ATOM 0 HE2 PHE A 54 -2.044 -0.008 -1.394 1.00 0.26 H new ATOM 0 HZ PHE A 54 0.161 -0.604 -2.036 1.00 0.19 H new ATOM 781 N ARG A 55 -5.314 0.225 -8.221 1.00 0.23 N ATOM 782 CA ARG A 55 -6.563 0.126 -8.951 1.00 0.31 C ATOM 783 C ARG A 55 -6.290 -0.076 -10.434 1.00 0.36 C ATOM 784 O ARG A 55 -7.099 -0.660 -11.155 1.00 0.43 O ATOM 785 CB ARG A 55 -7.394 1.393 -8.725 1.00 0.35 C ATOM 786 CG ARG A 55 -7.516 1.779 -7.260 1.00 0.39 C ATOM 787 CD ARG A 55 -8.412 2.988 -7.067 1.00 0.63 C ATOM 788 NE ARG A 55 -9.818 2.677 -7.331 1.00 1.45 N ATOM 789 CZ ARG A 55 -10.753 3.597 -7.564 1.00 1.87 C ATOM 790 NH1 ARG A 55 -10.429 4.881 -7.607 1.00 1.82 N ATOM 791 NH2 ARG A 55 -12.012 3.230 -7.758 1.00 2.81 N ATOM 0 H ARG A 55 -5.085 1.170 -7.914 1.00 0.23 H new ATOM 0 HA ARG A 55 -7.125 -0.734 -8.586 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -6.942 2.219 -9.275 1.00 0.35 H new ATOM 0 HB3 ARG A 55 -8.391 1.243 -9.138 1.00 0.35 H new ATOM 0 HG2 ARG A 55 -7.915 0.937 -6.695 1.00 0.39 H new ATOM 0 HG3 ARG A 55 -6.526 1.993 -6.857 1.00 0.39 H new ATOM 0 HD2 ARG A 55 -8.308 3.357 -6.047 1.00 0.63 H new ATOM 0 HD3 ARG A 55 -8.087 3.789 -7.731 1.00 0.63 H new ATOM 0 HE ARG A 55 -10.099 1.696 -7.337 1.00 1.45 H new ATOM 0 HH11 ARG A 55 -9.461 5.168 -7.461 1.00 1.82 H new ATOM 0 HH12 ARG A 55 -11.148 5.583 -7.786 1.00 1.82 H new ATOM 0 HH21 ARG A 55 -12.266 2.242 -7.729 1.00 2.81 H new ATOM 0 HH22 ARG A 55 -12.727 3.935 -7.936 1.00 2.81 H new ATOM 805 N GLU A 56 -5.129 0.392 -10.876 1.00 0.39 N ATOM 806 CA GLU A 56 -4.748 0.288 -12.278 1.00 0.52 C ATOM 807 C GLU A 56 -4.270 -1.116 -12.626 1.00 0.47 C ATOM 808 O GLU A 56 -4.888 -1.819 -13.422 1.00 0.49 O ATOM 809 CB GLU A 56 -3.632 1.276 -12.621 1.00 0.73 C ATOM 810 CG GLU A 56 -4.011 2.735 -12.473 1.00 1.04 C ATOM 811 CD GLU A 56 -2.941 3.646 -13.041 1.00 1.54 C ATOM 812 OE1 GLU A 56 -2.941 3.875 -14.264 1.00 1.80 O ATOM 813 OE2 GLU A 56 -2.117 4.156 -12.249 1.00 2.26 O ATOM 0 H GLU A 56 -4.435 0.847 -10.283 1.00 0.39 H new ATOM 0 HA GLU A 56 -5.640 0.521 -12.860 1.00 0.52 H new ATOM 0 HB2 GLU A 56 -2.774 1.071 -11.981 1.00 0.73 H new ATOM 0 HB3 GLU A 56 -3.312 1.100 -13.648 1.00 0.73 H new ATOM 0 HG2 GLU A 56 -4.956 2.920 -12.983 1.00 1.04 H new ATOM 0 HG3 GLU A 56 -4.166 2.967 -11.419 1.00 1.04 H new ATOM 820 N ASP A 57 -3.173 -1.517 -12.008 1.00 0.51 N ATOM 821 CA ASP A 57 -2.493 -2.752 -12.386 1.00 0.58 C ATOM 822 C ASP A 57 -3.084 -3.966 -11.682 1.00 0.55 C ATOM 823 O ASP A 57 -3.369 -4.985 -12.315 1.00 0.67 O ATOM 824 CB ASP A 57 -0.999 -2.643 -12.076 1.00 0.67 C ATOM 825 CG ASP A 57 -0.211 -3.839 -12.573 1.00 1.64 C ATOM 826 OD1 ASP A 57 -0.247 -4.108 -13.793 1.00 1.62 O ATOM 827 OD2 ASP A 57 0.459 -4.496 -11.754 1.00 2.62 O ATOM 0 H ASP A 57 -2.731 -1.009 -11.242 1.00 0.51 H new ATOM 0 HA ASP A 57 -2.635 -2.891 -13.458 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -0.602 -1.736 -12.533 1.00 0.67 H new ATOM 0 HB3 ASP A 57 -0.862 -2.544 -10.999 1.00 0.67 H new ATOM 832 N LEU A 58 -3.289 -3.845 -10.380 1.00 0.44 N ATOM 833 CA LEU A 58 -3.726 -4.979 -9.568 1.00 0.45 C ATOM 834 C LEU A 58 -5.242 -5.112 -9.586 1.00 0.45 C ATOM 835 O LEU A 58 -5.782 -6.204 -9.407 1.00 0.67 O ATOM 836 CB LEU A 58 -3.218 -4.842 -8.121 1.00 0.41 C ATOM 837 CG LEU A 58 -1.754 -5.251 -7.880 1.00 0.34 C ATOM 838 CD1 LEU A 58 -0.804 -4.472 -8.776 1.00 0.34 C ATOM 839 CD2 LEU A 58 -1.386 -5.049 -6.416 1.00 0.32 C ATOM 0 H LEU A 58 -3.161 -2.977 -9.860 1.00 0.44 H new ATOM 0 HA LEU A 58 -3.299 -5.883 -10.001 1.00 0.45 H new ATOM 0 HB2 LEU A 58 -3.341 -3.804 -7.810 1.00 0.41 H new ATOM 0 HB3 LEU A 58 -3.855 -5.446 -7.474 1.00 0.41 H new ATOM 0 HG LEU A 58 -1.656 -6.307 -8.130 1.00 0.34 H new ATOM 0 HD11 LEU A 58 0.221 -4.786 -8.579 1.00 0.34 H new ATOM 0 HD12 LEU A 58 -1.049 -4.665 -9.821 1.00 0.34 H new ATOM 0 HD13 LEU A 58 -0.903 -3.406 -8.571 1.00 0.34 H new ATOM 0 HD21 LEU A 58 -0.348 -5.342 -6.258 1.00 0.32 H new ATOM 0 HD22 LEU A 58 -1.511 -3.999 -6.151 1.00 0.32 H new ATOM 0 HD23 LEU A 58 -2.035 -5.661 -5.790 1.00 0.32 H new ATOM 851 N GLY A 59 -5.922 -3.998 -9.808 1.00 0.33 N ATOM 852 CA GLY A 59 -7.368 -4.010 -9.855 1.00 0.36 C ATOM 853 C GLY A 59 -7.990 -4.000 -8.473 1.00 0.37 C ATOM 854 O GLY A 59 -9.044 -4.594 -8.248 1.00 0.45 O ATOM 0 H GLY A 59 -5.496 -3.083 -9.957 1.00 0.33 H new ATOM 0 HA2 GLY A 59 -7.718 -3.143 -10.414 1.00 0.36 H new ATOM 0 HA3 GLY A 59 -7.704 -4.895 -10.396 1.00 0.36 H new ATOM 858 N LEU A 60 -7.327 -3.333 -7.546 1.00 0.33 N ATOM 859 CA LEU A 60 -7.818 -3.221 -6.181 1.00 0.36 C ATOM 860 C LEU A 60 -8.708 -1.991 -6.052 1.00 0.46 C ATOM 861 O LEU A 60 -8.213 -0.867 -6.014 1.00 0.63 O ATOM 862 CB LEU A 60 -6.646 -3.111 -5.210 1.00 0.35 C ATOM 863 CG LEU A 60 -5.640 -4.259 -5.274 1.00 0.40 C ATOM 864 CD1 LEU A 60 -4.422 -3.935 -4.423 1.00 0.41 C ATOM 865 CD2 LEU A 60 -6.288 -5.567 -4.823 1.00 0.58 C ATOM 0 H LEU A 60 -6.441 -2.857 -7.714 1.00 0.33 H new ATOM 0 HA LEU A 60 -8.397 -4.112 -5.940 1.00 0.36 H new ATOM 0 HB2 LEU A 60 -6.120 -2.176 -5.405 1.00 0.35 H new ATOM 0 HB3 LEU A 60 -7.040 -3.050 -4.195 1.00 0.35 H new ATOM 0 HG LEU A 60 -5.315 -4.384 -6.307 1.00 0.40 H new ATOM 0 HD11 LEU A 60 -3.711 -4.760 -4.476 1.00 0.41 H new ATOM 0 HD12 LEU A 60 -3.950 -3.025 -4.794 1.00 0.41 H new ATOM 0 HD13 LEU A 60 -4.730 -3.787 -3.388 1.00 0.41 H new ATOM 0 HD21 LEU A 60 -5.556 -6.373 -4.876 1.00 0.58 H new ATOM 0 HD22 LEU A 60 -6.641 -5.463 -3.797 1.00 0.58 H new ATOM 0 HD23 LEU A 60 -7.130 -5.799 -5.474 1.00 0.58 H new ATOM 877 N ASP A 61 -10.014 -2.192 -5.982 1.00 0.59 N ATOM 878 CA ASP A 61 -10.943 -1.076 -5.937 1.00 0.76 C ATOM 879 C ASP A 61 -11.108 -0.601 -4.505 1.00 0.66 C ATOM 880 O ASP A 61 -12.072 -0.938 -3.819 1.00 0.89 O ATOM 881 CB ASP A 61 -12.294 -1.454 -6.547 1.00 1.10 C ATOM 882 CG ASP A 61 -13.145 -0.237 -6.858 1.00 1.56 C ATOM 883 OD1 ASP A 61 -12.627 0.702 -7.502 1.00 2.27 O ATOM 884 OD2 ASP A 61 -14.342 -0.228 -6.495 1.00 2.04 O ATOM 0 H ASP A 61 -10.452 -3.113 -5.955 1.00 0.59 H new ATOM 0 HA ASP A 61 -10.534 -0.261 -6.534 1.00 0.76 H new ATOM 0 HB2 ASP A 61 -12.131 -2.024 -7.462 1.00 1.10 H new ATOM 0 HB3 ASP A 61 -12.832 -2.105 -5.858 1.00 1.10 H new ATOM 889 N LEU A 62 -10.115 0.142 -4.053 1.00 0.57 N ATOM 890 CA LEU A 62 -10.061 0.622 -2.684 1.00 0.66 C ATOM 891 C LEU A 62 -11.027 1.784 -2.468 1.00 0.72 C ATOM 892 O LEU A 62 -12.072 1.633 -1.835 1.00 1.01 O ATOM 893 CB LEU A 62 -8.634 1.070 -2.370 1.00 0.80 C ATOM 894 CG LEU A 62 -7.559 0.003 -2.544 1.00 1.00 C ATOM 895 CD1 LEU A 62 -6.186 0.646 -2.590 1.00 1.64 C ATOM 896 CD2 LEU A 62 -7.618 -1.025 -1.427 1.00 1.28 C ATOM 0 H LEU A 62 -9.322 0.430 -4.625 1.00 0.57 H new ATOM 0 HA LEU A 62 -10.356 -0.188 -2.017 1.00 0.66 H new ATOM 0 HB2 LEU A 62 -8.388 1.917 -3.011 1.00 0.80 H new ATOM 0 HB3 LEU A 62 -8.602 1.429 -1.341 1.00 0.80 H new ATOM 0 HG LEU A 62 -7.745 -0.512 -3.487 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.427 -0.126 -2.714 1.00 1.64 H new ATOM 0 HD12 LEU A 62 -6.138 1.341 -3.428 1.00 1.64 H new ATOM 0 HD13 LEU A 62 -6.006 1.186 -1.660 1.00 1.64 H new ATOM 0 HD21 LEU A 62 -6.839 -1.772 -1.579 1.00 1.28 H new ATOM 0 HD22 LEU A 62 -7.464 -0.530 -0.468 1.00 1.28 H new ATOM 0 HD23 LEU A 62 -8.594 -1.511 -1.431 1.00 1.28 H new ATOM 908 N GLY A 63 -10.660 2.936 -3.005 1.00 0.68 N ATOM 909 CA GLY A 63 -11.456 4.127 -2.846 1.00 0.75 C ATOM 910 C GLY A 63 -10.656 5.366 -3.180 1.00 0.71 C ATOM 911 O GLY A 63 -9.431 5.349 -3.079 1.00 0.75 O ATOM 0 H GLY A 63 -9.811 3.065 -3.556 1.00 0.68 H new ATOM 0 HA2 GLY A 63 -12.332 4.071 -3.492 1.00 0.75 H new ATOM 0 HA3 GLY A 63 -11.820 4.191 -1.820 1.00 0.75 H new ATOM 915 N PRO A 64 -11.312 6.464 -3.579 1.00 0.78 N ATOM 916 CA PRO A 64 -10.624 7.713 -3.904 1.00 0.88 C ATOM 917 C PRO A 64 -10.253 8.503 -2.655 1.00 0.88 C ATOM 918 O PRO A 64 -9.570 9.519 -2.726 1.00 1.13 O ATOM 919 CB PRO A 64 -11.656 8.475 -4.731 1.00 1.03 C ATOM 920 CG PRO A 64 -12.973 7.995 -4.224 1.00 1.00 C ATOM 921 CD PRO A 64 -12.772 6.579 -3.748 1.00 0.90 C ATOM 0 HA PRO A 64 -9.682 7.542 -4.426 1.00 0.88 H new ATOM 0 HB2 PRO A 64 -11.550 9.552 -4.602 1.00 1.03 H new ATOM 0 HB3 PRO A 64 -11.542 8.269 -5.795 1.00 1.03 H new ATOM 0 HG2 PRO A 64 -13.327 8.629 -3.411 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -13.727 8.034 -5.010 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -13.298 6.394 -2.811 1.00 0.90 H new ATOM 0 HD3 PRO A 64 -13.148 5.857 -4.473 1.00 0.90 H new ATOM 929 N GLU A 65 -10.717 8.020 -1.515 1.00 0.77 N ATOM 930 CA GLU A 65 -10.488 8.694 -0.248 1.00 0.97 C ATOM 931 C GLU A 65 -9.395 7.963 0.544 1.00 0.79 C ATOM 932 O GLU A 65 -9.058 8.342 1.665 1.00 0.85 O ATOM 933 CB GLU A 65 -11.815 8.761 0.534 1.00 1.28 C ATOM 934 CG GLU A 65 -11.835 9.756 1.692 1.00 1.79 C ATOM 935 CD GLU A 65 -13.235 9.968 2.239 1.00 2.02 C ATOM 936 OE1 GLU A 65 -14.030 10.690 1.602 1.00 2.33 O ATOM 937 OE2 GLU A 65 -13.547 9.411 3.314 1.00 2.36 O ATOM 0 H GLU A 65 -11.258 7.158 -1.441 1.00 0.77 H new ATOM 0 HA GLU A 65 -10.140 9.713 -0.420 1.00 0.97 H new ATOM 0 HB2 GLU A 65 -12.615 9.019 -0.160 1.00 1.28 H new ATOM 0 HB3 GLU A 65 -12.039 7.768 0.924 1.00 1.28 H new ATOM 0 HG2 GLU A 65 -11.185 9.396 2.490 1.00 1.79 H new ATOM 0 HG3 GLU A 65 -11.429 10.710 1.356 1.00 1.79 H new ATOM 944 N PHE A 66 -8.840 6.913 -0.058 1.00 0.73 N ATOM 945 CA PHE A 66 -7.760 6.154 0.553 1.00 0.62 C ATOM 946 C PHE A 66 -6.408 6.696 0.110 1.00 0.53 C ATOM 947 O PHE A 66 -6.116 6.766 -1.085 1.00 0.62 O ATOM 948 CB PHE A 66 -7.891 4.673 0.176 1.00 0.66 C ATOM 949 CG PHE A 66 -6.772 3.791 0.666 1.00 0.61 C ATOM 950 CD1 PHE A 66 -6.724 3.399 1.995 1.00 0.69 C ATOM 951 CD2 PHE A 66 -5.768 3.363 -0.190 1.00 0.60 C ATOM 952 CE1 PHE A 66 -5.700 2.598 2.460 1.00 0.73 C ATOM 953 CE2 PHE A 66 -4.743 2.560 0.272 1.00 0.64 C ATOM 954 CZ PHE A 66 -4.710 2.147 1.546 1.00 0.70 C ATOM 0 H PHE A 66 -9.126 6.570 -0.975 1.00 0.73 H new ATOM 0 HA PHE A 66 -7.828 6.253 1.636 1.00 0.62 H new ATOM 0 HB2 PHE A 66 -8.833 4.294 0.573 1.00 0.66 H new ATOM 0 HB3 PHE A 66 -7.948 4.593 -0.910 1.00 0.66 H new ATOM 0 HD1 PHE A 66 -7.497 3.724 2.675 1.00 0.69 H new ATOM 0 HD2 PHE A 66 -5.788 3.660 -1.228 1.00 0.60 H new ATOM 0 HE1 PHE A 66 -5.652 2.319 3.502 1.00 0.73 H new ATOM 0 HE2 PHE A 66 -3.956 2.261 -0.404 1.00 0.64 H new ATOM 0 HZ PHE A 66 -3.933 1.473 1.877 1.00 0.70 H new ATOM 964 N SER A 67 -5.592 7.081 1.076 1.00 0.43 N ATOM 965 CA SER A 67 -4.260 7.589 0.797 1.00 0.37 C ATOM 966 C SER A 67 -3.263 7.011 1.794 1.00 0.35 C ATOM 967 O SER A 67 -3.478 7.084 3.003 1.00 0.39 O ATOM 968 CB SER A 67 -4.252 9.119 0.870 1.00 0.41 C ATOM 969 OG SER A 67 -5.266 9.666 0.048 1.00 1.39 O ATOM 0 H SER A 67 -5.831 7.051 2.067 1.00 0.43 H new ATOM 0 HA SER A 67 -3.970 7.285 -0.209 1.00 0.37 H new ATOM 0 HB2 SER A 67 -4.401 9.439 1.901 1.00 0.41 H new ATOM 0 HB3 SER A 67 -3.279 9.498 0.556 1.00 0.41 H new ATOM 0 HG SER A 67 -5.022 9.550 -0.894 1.00 1.39 H new ATOM 975 N LEU A 68 -2.171 6.442 1.286 1.00 0.34 N ATOM 976 CA LEU A 68 -1.151 5.845 2.147 1.00 0.34 C ATOM 977 C LEU A 68 -0.626 6.862 3.149 1.00 0.37 C ATOM 978 O LEU A 68 -0.318 6.519 4.282 1.00 0.62 O ATOM 979 CB LEU A 68 0.029 5.310 1.332 1.00 0.33 C ATOM 980 CG LEU A 68 -0.303 4.286 0.252 1.00 0.26 C ATOM 981 CD1 LEU A 68 0.978 3.685 -0.292 1.00 0.48 C ATOM 982 CD2 LEU A 68 -1.213 3.199 0.790 1.00 0.73 C ATOM 0 H LEU A 68 -1.970 6.382 0.288 1.00 0.34 H new ATOM 0 HA LEU A 68 -1.627 5.018 2.673 1.00 0.34 H new ATOM 0 HB2 LEU A 68 0.529 6.155 0.859 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.744 4.861 2.021 1.00 0.33 H new ATOM 0 HG LEU A 68 -0.833 4.792 -0.555 1.00 0.26 H new ATOM 0 HD11 LEU A 68 0.738 2.954 -1.064 1.00 0.48 H new ATOM 0 HD12 LEU A 68 1.597 4.474 -0.720 1.00 0.48 H new ATOM 0 HD13 LEU A 68 1.522 3.195 0.516 1.00 0.48 H new ATOM 0 HD21 LEU A 68 -1.433 2.483 -0.002 1.00 0.73 H new ATOM 0 HD22 LEU A 68 -0.719 2.686 1.615 1.00 0.73 H new ATOM 0 HD23 LEU A 68 -2.142 3.645 1.144 1.00 0.73 H new ATOM 994 N PHE A 69 -0.571 8.121 2.728 1.00 0.31 N ATOM 995 CA PHE A 69 0.012 9.190 3.537 1.00 0.30 C ATOM 996 C PHE A 69 -0.693 9.321 4.895 1.00 0.35 C ATOM 997 O PHE A 69 -0.161 9.927 5.825 1.00 0.42 O ATOM 998 CB PHE A 69 -0.074 10.512 2.770 1.00 0.36 C ATOM 999 CG PHE A 69 0.799 11.599 3.317 1.00 0.33 C ATOM 1000 CD1 PHE A 69 2.178 11.470 3.315 1.00 0.36 C ATOM 1001 CD2 PHE A 69 0.237 12.751 3.843 1.00 0.57 C ATOM 1002 CE1 PHE A 69 2.979 12.470 3.830 1.00 0.36 C ATOM 1003 CE2 PHE A 69 1.032 13.755 4.358 1.00 0.59 C ATOM 1004 CZ PHE A 69 2.432 13.615 4.309 1.00 0.36 C ATOM 0 H PHE A 69 -0.926 8.430 1.823 1.00 0.31 H new ATOM 0 HA PHE A 69 1.055 8.942 3.731 1.00 0.30 H new ATOM 0 HB2 PHE A 69 0.197 10.333 1.729 1.00 0.36 H new ATOM 0 HB3 PHE A 69 -1.109 10.855 2.776 1.00 0.36 H new ATOM 0 HD1 PHE A 69 2.631 10.579 2.907 1.00 0.36 H new ATOM 0 HD2 PHE A 69 -0.837 12.865 3.850 1.00 0.57 H new ATOM 0 HE1 PHE A 69 4.051 12.339 3.852 1.00 0.36 H new ATOM 0 HE2 PHE A 69 0.586 14.637 4.793 1.00 0.59 H new ATOM 0 HZ PHE A 69 3.069 14.417 4.652 1.00 0.36 H new ATOM 1014 N ILE A 70 -1.890 8.751 5.002 1.00 0.38 N ATOM 1015 CA ILE A 70 -2.621 8.754 6.263 1.00 0.51 C ATOM 1016 C ILE A 70 -3.003 7.332 6.679 1.00 0.55 C ATOM 1017 O ILE A 70 -2.920 6.978 7.856 1.00 0.70 O ATOM 1018 CB ILE A 70 -3.902 9.637 6.198 1.00 0.60 C ATOM 1019 CG1 ILE A 70 -3.533 11.092 5.890 1.00 0.70 C ATOM 1020 CG2 ILE A 70 -4.681 9.555 7.510 1.00 0.74 C ATOM 1021 CD1 ILE A 70 -4.730 12.019 5.832 1.00 0.89 C ATOM 0 H ILE A 70 -2.372 8.283 4.234 1.00 0.38 H new ATOM 0 HA ILE A 70 -1.951 9.182 7.009 1.00 0.51 H new ATOM 0 HB ILE A 70 -4.537 9.260 5.396 1.00 0.60 H new ATOM 0 HG12 ILE A 70 -2.841 11.452 6.651 1.00 0.70 H new ATOM 0 HG13 ILE A 70 -3.006 11.131 4.936 1.00 0.70 H new ATOM 0 HG21 ILE A 70 -5.572 10.179 7.444 1.00 0.74 H new ATOM 0 HG22 ILE A 70 -4.975 8.522 7.695 1.00 0.74 H new ATOM 0 HG23 ILE A 70 -4.053 9.906 8.329 1.00 0.74 H new ATOM 0 HD11 ILE A 70 -4.395 13.032 5.610 1.00 0.89 H new ATOM 0 HD12 ILE A 70 -5.413 11.683 5.051 1.00 0.89 H new ATOM 0 HD13 ILE A 70 -5.245 12.009 6.793 1.00 0.89 H new ATOM 1033 N ASP A 71 -3.383 6.507 5.708 1.00 0.50 N ATOM 1034 CA ASP A 71 -3.957 5.202 6.005 1.00 0.65 C ATOM 1035 C ASP A 71 -2.923 4.078 5.952 1.00 0.58 C ATOM 1036 O ASP A 71 -3.271 2.912 6.120 1.00 0.70 O ATOM 1037 CB ASP A 71 -5.109 4.892 5.039 1.00 0.82 C ATOM 1038 CG ASP A 71 -6.321 5.776 5.255 1.00 1.45 C ATOM 1039 OD1 ASP A 71 -7.027 5.584 6.268 1.00 1.80 O ATOM 1040 OD2 ASP A 71 -6.576 6.660 4.406 1.00 2.23 O ATOM 0 H ASP A 71 -3.304 6.719 4.713 1.00 0.50 H new ATOM 0 HA ASP A 71 -4.334 5.251 7.027 1.00 0.65 H new ATOM 0 HB2 ASP A 71 -4.758 5.011 4.014 1.00 0.82 H new ATOM 0 HB3 ASP A 71 -5.402 3.849 5.156 1.00 0.82 H new ATOM 1045 N CYS A 72 -1.659 4.424 5.741 1.00 0.47 N ATOM 1046 CA CYS A 72 -0.593 3.434 5.653 1.00 0.49 C ATOM 1047 C CYS A 72 0.732 4.080 6.014 1.00 0.52 C ATOM 1048 O CYS A 72 1.412 4.663 5.171 1.00 1.00 O ATOM 1049 CB CYS A 72 -0.516 2.809 4.256 1.00 0.50 C ATOM 1050 SG CYS A 72 -1.935 1.770 3.828 1.00 0.59 S ATOM 0 H CYS A 72 -1.346 5.388 5.627 1.00 0.47 H new ATOM 0 HA CYS A 72 -0.814 2.633 6.358 1.00 0.49 H new ATOM 0 HB2 CYS A 72 -0.428 3.606 3.518 1.00 0.50 H new ATOM 0 HB3 CYS A 72 0.392 2.210 4.188 1.00 0.50 H new ATOM 0 HG CYS A 72 -2.868 1.920 4.721 1.00 0.59 H new ATOM 1056 N THR A 73 1.092 3.965 7.270 1.00 0.33 N ATOM 1057 CA THR A 73 2.238 4.678 7.800 1.00 0.34 C ATOM 1058 C THR A 73 3.527 3.938 7.423 1.00 0.29 C ATOM 1059 O THR A 73 4.317 4.423 6.608 1.00 0.39 O ATOM 1060 CB THR A 73 2.087 4.824 9.332 1.00 0.52 C ATOM 1061 OG1 THR A 73 1.811 3.539 9.907 1.00 0.63 O ATOM 1062 CG2 THR A 73 0.955 5.797 9.686 1.00 0.67 C ATOM 0 H THR A 73 0.606 3.381 7.951 1.00 0.33 H new ATOM 0 HA THR A 73 2.292 5.678 7.369 1.00 0.34 H new ATOM 0 HB THR A 73 3.019 5.222 9.734 1.00 0.52 H new ATOM 0 HG1 THR A 73 1.717 3.629 10.878 1.00 0.63 H new ATOM 0 HG21 THR A 73 0.872 5.880 10.770 1.00 0.67 H new ATOM 0 HG22 THR A 73 1.172 6.778 9.263 1.00 0.67 H new ATOM 0 HG23 THR A 73 0.015 5.426 9.277 1.00 0.67 H new ATOM 1070 N THR A 74 3.737 2.760 7.999 1.00 0.28 N ATOM 1071 CA THR A 74 4.876 1.931 7.629 1.00 0.27 C ATOM 1072 C THR A 74 4.509 1.058 6.421 1.00 0.25 C ATOM 1073 O THR A 74 3.442 1.234 5.829 1.00 0.25 O ATOM 1074 CB THR A 74 5.348 1.044 8.804 1.00 0.33 C ATOM 1075 OG1 THR A 74 4.316 0.101 9.145 1.00 0.38 O ATOM 1076 CG2 THR A 74 5.687 1.900 10.023 1.00 0.36 C ATOM 0 H THR A 74 3.137 2.360 8.720 1.00 0.28 H new ATOM 0 HA THR A 74 5.702 2.592 7.367 1.00 0.27 H new ATOM 0 HB THR A 74 6.245 0.507 8.496 1.00 0.33 H new ATOM 0 HG1 THR A 74 4.619 -0.461 9.889 1.00 0.38 H new ATOM 0 HG21 THR A 74 6.017 1.257 10.839 1.00 0.36 H new ATOM 0 HG22 THR A 74 6.483 2.599 9.767 1.00 0.36 H new ATOM 0 HG23 THR A 74 4.803 2.456 10.334 1.00 0.36 H new ATOM 1084 N VAL A 75 5.365 0.100 6.068 1.00 0.25 N ATOM 1085 CA VAL A 75 5.124 -0.731 4.900 1.00 0.25 C ATOM 1086 C VAL A 75 4.159 -1.834 5.275 1.00 0.25 C ATOM 1087 O VAL A 75 3.284 -2.220 4.500 1.00 0.24 O ATOM 1088 CB VAL A 75 6.420 -1.382 4.375 1.00 0.30 C ATOM 1089 CG1 VAL A 75 6.346 -1.620 2.875 1.00 0.61 C ATOM 1090 CG2 VAL A 75 7.629 -0.536 4.719 1.00 0.68 C ATOM 0 H VAL A 75 6.225 -0.115 6.573 1.00 0.25 H new ATOM 0 HA VAL A 75 4.718 -0.092 4.116 1.00 0.25 H new ATOM 0 HB VAL A 75 6.527 -2.349 4.867 1.00 0.30 H new ATOM 0 HG11 VAL A 75 7.273 -2.080 2.533 1.00 0.61 H new ATOM 0 HG12 VAL A 75 5.509 -2.282 2.653 1.00 0.61 H new ATOM 0 HG13 VAL A 75 6.202 -0.669 2.362 1.00 0.61 H new ATOM 0 HG21 VAL A 75 8.530 -1.017 4.338 1.00 0.68 H new ATOM 0 HG22 VAL A 75 7.524 0.450 4.266 1.00 0.68 H new ATOM 0 HG23 VAL A 75 7.704 -0.431 5.801 1.00 0.68 H new ATOM 1100 N ARG A 76 4.340 -2.334 6.489 1.00 0.27 N ATOM 1101 CA ARG A 76 3.502 -3.383 7.028 1.00 0.29 C ATOM 1102 C ARG A 76 2.063 -2.902 7.154 1.00 0.25 C ATOM 1103 O ARG A 76 1.135 -3.689 7.046 1.00 0.27 O ATOM 1104 CB ARG A 76 4.019 -3.816 8.390 1.00 0.37 C ATOM 1105 CG ARG A 76 3.476 -5.158 8.847 1.00 0.55 C ATOM 1106 CD ARG A 76 4.148 -6.311 8.114 1.00 1.21 C ATOM 1107 NE ARG A 76 3.633 -7.612 8.533 1.00 1.75 N ATOM 1108 CZ ARG A 76 4.398 -8.634 8.921 1.00 2.39 C ATOM 1109 NH1 ARG A 76 5.720 -8.483 9.040 1.00 2.68 N ATOM 1110 NH2 ARG A 76 3.842 -9.804 9.213 1.00 3.23 N ATOM 0 H ARG A 76 5.074 -2.020 7.124 1.00 0.27 H new ATOM 0 HA ARG A 76 3.531 -4.233 6.346 1.00 0.29 H new ATOM 0 HB2 ARG A 76 5.107 -3.866 8.357 1.00 0.37 H new ATOM 0 HB3 ARG A 76 3.757 -3.057 9.127 1.00 0.37 H new ATOM 0 HG2 ARG A 76 3.631 -5.268 9.920 1.00 0.55 H new ATOM 0 HG3 ARG A 76 2.400 -5.194 8.675 1.00 0.55 H new ATOM 0 HD2 ARG A 76 3.998 -6.192 7.041 1.00 1.21 H new ATOM 0 HD3 ARG A 76 5.223 -6.274 8.292 1.00 1.21 H new ATOM 0 HE ARG A 76 2.622 -7.748 8.529 1.00 1.75 H new ATOM 0 HH11 ARG A 76 6.151 -7.582 8.834 1.00 2.68 H new ATOM 0 HH12 ARG A 76 6.298 -9.269 9.337 1.00 2.68 H new ATOM 0 HH21 ARG A 76 2.831 -9.921 9.141 1.00 3.23 H new ATOM 0 HH22 ARG A 76 4.426 -10.586 9.510 1.00 3.23 H new ATOM 1124 N ALA A 77 1.895 -1.601 7.379 1.00 0.23 N ATOM 1125 CA ALA A 77 0.567 -1.007 7.488 1.00 0.24 C ATOM 1126 C ALA A 77 -0.222 -1.189 6.192 1.00 0.23 C ATOM 1127 O ALA A 77 -1.436 -1.386 6.214 1.00 0.29 O ATOM 1128 CB ALA A 77 0.679 0.468 7.856 1.00 0.25 C ATOM 0 H ALA A 77 2.663 -0.939 7.489 1.00 0.23 H new ATOM 0 HA ALA A 77 0.023 -1.521 8.281 1.00 0.24 H new ATOM 0 HB1 ALA A 77 -0.319 0.900 7.934 1.00 0.25 H new ATOM 0 HB2 ALA A 77 1.193 0.566 8.812 1.00 0.25 H new ATOM 0 HB3 ALA A 77 1.243 0.994 7.085 1.00 0.25 H new ATOM 1134 N LEU A 78 0.483 -1.141 5.069 1.00 0.19 N ATOM 1135 CA LEU A 78 -0.127 -1.349 3.762 1.00 0.18 C ATOM 1136 C LEU A 78 -0.444 -2.831 3.582 1.00 0.21 C ATOM 1137 O LEU A 78 -1.540 -3.207 3.171 1.00 0.26 O ATOM 1138 CB LEU A 78 0.845 -0.878 2.676 1.00 0.19 C ATOM 1139 CG LEU A 78 0.227 -0.182 1.470 1.00 0.25 C ATOM 1140 CD1 LEU A 78 1.312 0.495 0.657 1.00 0.64 C ATOM 1141 CD2 LEU A 78 -0.535 -1.150 0.598 1.00 0.52 C ATOM 0 H LEU A 78 1.486 -0.958 5.038 1.00 0.19 H new ATOM 0 HA LEU A 78 -1.053 -0.779 3.685 1.00 0.18 H new ATOM 0 HB2 LEU A 78 1.563 -0.197 3.132 1.00 0.19 H new ATOM 0 HB3 LEU A 78 1.406 -1.743 2.321 1.00 0.19 H new ATOM 0 HG LEU A 78 -0.478 0.563 1.839 1.00 0.25 H new ATOM 0 HD11 LEU A 78 0.865 0.991 -0.204 1.00 0.64 H new ATOM 0 HD12 LEU A 78 1.824 1.232 1.276 1.00 0.64 H new ATOM 0 HD13 LEU A 78 2.029 -0.251 0.314 1.00 0.64 H new ATOM 0 HD21 LEU A 78 -0.961 -0.616 -0.252 1.00 0.52 H new ATOM 0 HD22 LEU A 78 0.141 -1.925 0.238 1.00 0.52 H new ATOM 0 HD23 LEU A 78 -1.336 -1.609 1.177 1.00 0.52 H new ATOM 1153 N LYS A 79 0.545 -3.656 3.906 1.00 0.23 N ATOM 1154 CA LYS A 79 0.420 -5.113 3.871 1.00 0.29 C ATOM 1155 C LYS A 79 -0.768 -5.582 4.719 1.00 0.33 C ATOM 1156 O LYS A 79 -1.568 -6.408 4.284 1.00 0.35 O ATOM 1157 CB LYS A 79 1.723 -5.721 4.399 1.00 0.36 C ATOM 1158 CG LYS A 79 2.964 -5.121 3.751 1.00 0.40 C ATOM 1159 CD LYS A 79 3.110 -5.590 2.314 1.00 0.78 C ATOM 1160 CE LYS A 79 4.427 -5.147 1.704 1.00 1.42 C ATOM 1161 NZ LYS A 79 5.588 -5.856 2.309 1.00 2.40 N ATOM 0 H LYS A 79 1.465 -3.332 4.203 1.00 0.23 H new ATOM 0 HA LYS A 79 0.241 -5.439 2.846 1.00 0.29 H new ATOM 0 HB2 LYS A 79 1.776 -5.574 5.478 1.00 0.36 H new ATOM 0 HB3 LYS A 79 1.713 -6.797 4.224 1.00 0.36 H new ATOM 0 HG2 LYS A 79 2.902 -4.033 3.777 1.00 0.40 H new ATOM 0 HG3 LYS A 79 3.849 -5.404 4.321 1.00 0.40 H new ATOM 0 HD2 LYS A 79 3.041 -6.677 2.278 1.00 0.78 H new ATOM 0 HD3 LYS A 79 2.285 -5.199 1.719 1.00 0.78 H new ATOM 0 HE2 LYS A 79 4.409 -5.331 0.630 1.00 1.42 H new ATOM 0 HE3 LYS A 79 4.547 -4.072 1.841 1.00 1.42 H new ATOM 0 HZ1 LYS A 79 6.212 -5.166 2.773 1.00 2.40 H new ATOM 0 HZ2 LYS A 79 5.248 -6.543 3.012 1.00 2.40 H new ATOM 0 HZ3 LYS A 79 6.116 -6.355 1.565 1.00 2.40 H new ATOM 1175 N ASP A 80 -0.857 -5.040 5.927 1.00 0.40 N ATOM 1176 CA ASP A 80 -1.949 -5.343 6.856 1.00 0.55 C ATOM 1177 C ASP A 80 -3.302 -4.933 6.284 1.00 0.51 C ATOM 1178 O ASP A 80 -4.248 -5.723 6.278 1.00 0.58 O ATOM 1179 CB ASP A 80 -1.711 -4.623 8.192 1.00 0.74 C ATOM 1180 CG ASP A 80 -2.737 -4.975 9.257 1.00 1.23 C ATOM 1181 OD1 ASP A 80 -3.818 -4.350 9.270 1.00 1.66 O ATOM 1182 OD2 ASP A 80 -2.484 -5.900 10.058 1.00 1.58 O ATOM 0 H ASP A 80 -0.175 -4.376 6.295 1.00 0.40 H new ATOM 0 HA ASP A 80 -1.964 -6.421 7.015 1.00 0.55 H new ATOM 0 HB2 ASP A 80 -0.716 -4.874 8.559 1.00 0.74 H new ATOM 0 HB3 ASP A 80 -1.727 -3.546 8.024 1.00 0.74 H new ATOM 1187 N PHE A 81 -3.369 -3.707 5.780 1.00 0.46 N ATOM 1188 CA PHE A 81 -4.619 -3.132 5.279 1.00 0.49 C ATOM 1189 C PHE A 81 -5.258 -4.012 4.208 1.00 0.45 C ATOM 1190 O PHE A 81 -6.485 -4.141 4.149 1.00 0.52 O ATOM 1191 CB PHE A 81 -4.376 -1.726 4.708 1.00 0.50 C ATOM 1192 CG PHE A 81 -5.635 -1.052 4.245 1.00 0.60 C ATOM 1193 CD1 PHE A 81 -6.465 -0.417 5.154 1.00 0.84 C ATOM 1194 CD2 PHE A 81 -5.999 -1.069 2.908 1.00 0.57 C ATOM 1195 CE1 PHE A 81 -7.633 0.191 4.737 1.00 0.99 C ATOM 1196 CE2 PHE A 81 -7.166 -0.460 2.484 1.00 0.73 C ATOM 1197 CZ PHE A 81 -7.985 0.168 3.401 1.00 0.91 C ATOM 0 H PHE A 81 -2.565 -3.083 5.706 1.00 0.46 H new ATOM 0 HA PHE A 81 -5.305 -3.069 6.124 1.00 0.49 H new ATOM 0 HB2 PHE A 81 -3.900 -1.109 5.470 1.00 0.50 H new ATOM 0 HB3 PHE A 81 -3.680 -1.795 3.872 1.00 0.50 H new ATOM 0 HD1 PHE A 81 -6.196 -0.397 6.200 1.00 0.84 H new ATOM 0 HD2 PHE A 81 -5.364 -1.564 2.188 1.00 0.57 H new ATOM 0 HE1 PHE A 81 -8.271 0.684 5.455 1.00 0.99 H new ATOM 0 HE2 PHE A 81 -7.436 -0.476 1.438 1.00 0.73 H new ATOM 0 HZ PHE A 81 -8.900 0.641 3.075 1.00 0.91 H new ATOM 1207 N MET A 82 -4.422 -4.609 3.366 1.00 0.37 N ATOM 1208 CA MET A 82 -4.895 -5.460 2.275 1.00 0.38 C ATOM 1209 C MET A 82 -5.811 -6.570 2.779 1.00 0.58 C ATOM 1210 O MET A 82 -6.932 -6.736 2.291 1.00 0.69 O ATOM 1211 CB MET A 82 -3.716 -6.073 1.541 1.00 0.36 C ATOM 1212 CG MET A 82 -2.858 -5.059 0.807 1.00 0.51 C ATOM 1213 SD MET A 82 -1.648 -5.862 -0.256 1.00 1.10 S ATOM 1214 CE MET A 82 -1.605 -4.709 -1.617 1.00 0.20 C ATOM 0 H MET A 82 -3.407 -4.520 3.417 1.00 0.37 H new ATOM 0 HA MET A 82 -5.468 -4.830 1.595 1.00 0.38 H new ATOM 0 HB2 MET A 82 -3.094 -6.611 2.257 1.00 0.36 H new ATOM 0 HB3 MET A 82 -4.087 -6.807 0.826 1.00 0.36 H new ATOM 0 HG2 MET A 82 -3.495 -4.408 0.208 1.00 0.51 H new ATOM 0 HG3 MET A 82 -2.344 -4.425 1.530 1.00 0.51 H new ATOM 0 HE1 MET A 82 -1.266 -5.221 -2.517 1.00 0.20 H new ATOM 0 HE2 MET A 82 -2.604 -4.305 -1.784 1.00 0.20 H new ATOM 0 HE3 MET A 82 -0.919 -3.895 -1.383 1.00 0.20 H new ATOM 1224 N LEU A 83 -5.333 -7.327 3.750 1.00 0.69 N ATOM 1225 CA LEU A 83 -6.108 -8.419 4.313 1.00 0.92 C ATOM 1226 C LEU A 83 -7.128 -7.875 5.307 1.00 1.02 C ATOM 1227 O LEU A 83 -8.262 -8.356 5.379 1.00 1.18 O ATOM 1228 CB LEU A 83 -5.198 -9.445 5.019 1.00 1.04 C ATOM 1229 CG LEU A 83 -4.203 -10.224 4.132 1.00 1.06 C ATOM 1230 CD1 LEU A 83 -3.086 -9.319 3.625 1.00 0.87 C ATOM 1231 CD2 LEU A 83 -3.603 -11.401 4.901 1.00 1.30 C ATOM 0 H LEU A 83 -4.410 -7.206 4.166 1.00 0.69 H new ATOM 0 HA LEU A 83 -6.623 -8.922 3.494 1.00 0.92 H new ATOM 0 HB2 LEU A 83 -4.629 -8.922 5.787 1.00 1.04 H new ATOM 0 HB3 LEU A 83 -5.834 -10.168 5.530 1.00 1.04 H new ATOM 0 HG LEU A 83 -4.757 -10.602 3.273 1.00 1.06 H new ATOM 0 HD11 LEU A 83 -2.403 -9.898 3.004 1.00 0.87 H new ATOM 0 HD12 LEU A 83 -3.514 -8.508 3.035 1.00 0.87 H new ATOM 0 HD13 LEU A 83 -2.542 -8.903 4.473 1.00 0.87 H new ATOM 0 HD21 LEU A 83 -2.905 -11.937 4.259 1.00 1.30 H new ATOM 0 HD22 LEU A 83 -3.076 -11.030 5.780 1.00 1.30 H new ATOM 0 HD23 LEU A 83 -4.400 -12.076 5.213 1.00 1.30 H new ATOM 1243 N GLY A 84 -6.717 -6.864 6.053 1.00 1.01 N ATOM 1244 CA GLY A 84 -7.567 -6.295 7.078 1.00 1.21 C ATOM 1245 C GLY A 84 -7.089 -6.671 8.463 1.00 1.69 C ATOM 1246 O GLY A 84 -6.571 -7.767 8.664 1.00 2.42 O ATOM 0 H GLY A 84 -5.801 -6.423 5.967 1.00 1.01 H new ATOM 0 HA2 GLY A 84 -7.582 -5.210 6.979 1.00 1.21 H new ATOM 0 HA3 GLY A 84 -8.591 -6.642 6.938 1.00 1.21 H new ATOM 1250 N SER A 85 -7.271 -5.775 9.421 1.00 2.15 N ATOM 1251 CA SER A 85 -6.830 -6.013 10.792 1.00 3.14 C ATOM 1252 C SER A 85 -7.795 -6.940 11.538 1.00 3.47 C ATOM 1253 O SER A 85 -7.971 -6.829 12.752 1.00 4.25 O ATOM 1254 CB SER A 85 -6.713 -4.679 11.529 1.00 3.98 C ATOM 1255 OG SER A 85 -5.891 -3.761 10.820 1.00 4.47 O ATOM 0 H SER A 85 -7.723 -4.872 9.276 1.00 2.15 H new ATOM 0 HA SER A 85 -5.857 -6.503 10.758 1.00 3.14 H new ATOM 0 HB2 SER A 85 -7.705 -4.250 11.665 1.00 3.98 H new ATOM 0 HB3 SER A 85 -6.299 -4.847 12.523 1.00 3.98 H new ATOM 0 HG SER A 85 -5.386 -4.240 10.130 1.00 4.47 H new ATOM 1261 N GLY A 86 -8.384 -7.882 10.818 1.00 3.24 N ATOM 1262 CA GLY A 86 -9.344 -8.789 11.416 1.00 3.96 C ATOM 1263 C GLY A 86 -8.689 -10.060 11.904 1.00 4.20 C ATOM 1264 O GLY A 86 -9.154 -11.160 11.618 1.00 4.59 O ATOM 0 H GLY A 86 -8.214 -8.036 9.824 1.00 3.24 H new ATOM 0 HA2 GLY A 86 -9.841 -8.293 12.250 1.00 3.96 H new ATOM 0 HA3 GLY A 86 -10.115 -9.035 10.686 1.00 3.96 H new ATOM 1268 N ASP A 87 -7.604 -9.901 12.643 1.00 4.46 N ATOM 1269 CA ASP A 87 -6.847 -11.033 13.152 1.00 5.16 C ATOM 1270 C ASP A 87 -7.591 -11.702 14.301 1.00 5.94 C ATOM 1271 O ASP A 87 -7.679 -11.159 15.406 1.00 6.41 O ATOM 1272 CB ASP A 87 -5.457 -10.583 13.602 1.00 5.58 C ATOM 1273 CG ASP A 87 -4.614 -11.724 14.137 1.00 6.09 C ATOM 1274 OD1 ASP A 87 -4.174 -12.566 13.328 1.00 6.28 O ATOM 1275 OD2 ASP A 87 -4.405 -11.794 15.364 1.00 6.61 O ATOM 0 H ASP A 87 -7.225 -8.991 12.906 1.00 4.46 H new ATOM 0 HA ASP A 87 -6.732 -11.762 12.349 1.00 5.16 H new ATOM 0 HB2 ASP A 87 -4.941 -10.119 12.762 1.00 5.58 H new ATOM 0 HB3 ASP A 87 -5.559 -9.820 14.374 1.00 5.58 H new ATOM 1280 N ALA A 88 -8.146 -12.872 14.018 1.00 6.41 N ATOM 1281 CA ALA A 88 -8.886 -13.643 15.002 1.00 7.43 C ATOM 1282 C ALA A 88 -8.953 -15.101 14.578 1.00 7.93 C ATOM 1283 O ALA A 88 -8.574 -15.997 15.331 1.00 8.47 O ATOM 1284 CB ALA A 88 -10.285 -13.073 15.181 1.00 8.00 C ATOM 0 H ALA A 88 -8.095 -13.312 13.099 1.00 6.41 H new ATOM 0 HA ALA A 88 -8.368 -13.582 15.959 1.00 7.43 H new ATOM 0 HB1 ALA A 88 -10.826 -13.662 15.921 1.00 8.00 H new ATOM 0 HB2 ALA A 88 -10.216 -12.039 15.520 1.00 8.00 H new ATOM 0 HB3 ALA A 88 -10.817 -13.109 14.230 1.00 8.00 H new ATOM 1290 N GLY A 89 -9.423 -15.326 13.361 1.00 8.03 N ATOM 1291 CA GLY A 89 -9.518 -16.669 12.839 1.00 8.78 C ATOM 1292 C GLY A 89 -10.862 -17.294 13.139 1.00 9.30 C ATOM 1293 O GLY A 89 -10.979 -18.017 14.150 1.00 9.50 O ATOM 1294 OXT GLY A 89 -11.819 -17.027 12.387 1.00 9.73 O ATOM 0 H GLY A 89 -9.742 -14.596 12.723 1.00 8.03 H new ATOM 0 HA2 GLY A 89 -9.357 -16.652 11.761 1.00 8.78 H new ATOM 0 HA3 GLY A 89 -8.727 -17.283 13.270 1.00 8.78 H new TER 1298 GLY A 89 HETATM 1299 O23 PNS A 90 0.711 17.130 -2.487 1.00 1.52 O HETATM 1300 P24 PNS A 90 -0.149 16.483 -1.467 1.00 1.19 P HETATM 1301 O26 PNS A 90 -0.640 17.313 -0.339 1.00 1.74 O HETATM 1302 O27 PNS A 90 -1.407 15.846 -2.201 1.00 1.06 O HETATM 1303 C28 PNS A 90 -1.172 14.961 -3.341 1.00 0.87 C HETATM 1304 C29 PNS A 90 -2.466 14.677 -4.110 1.00 0.98 C HETATM 1305 C30 PNS A 90 -2.943 15.993 -4.707 1.00 1.67 C HETATM 1306 C31 PNS A 90 -2.157 13.675 -5.223 1.00 1.74 C HETATM 1307 C32 PNS A 90 -3.559 14.077 -3.159 1.00 1.57 C HETATM 1308 O33 PNS A 90 -3.737 14.919 -2.010 1.00 2.32 O HETATM 1309 C34 PNS A 90 -4.909 13.930 -3.877 1.00 2.09 C HETATM 1310 O35 PNS A 90 -4.998 13.463 -5.017 1.00 2.76 O HETATM 1311 N36 PNS A 90 -5.967 14.328 -3.184 1.00 2.50 N HETATM 1312 C37 PNS A 90 -7.333 14.270 -3.692 1.00 3.36 C HETATM 1313 C38 PNS A 90 -8.365 14.637 -2.629 1.00 3.97 C HETATM 1314 C39 PNS A 90 -9.753 14.863 -3.210 1.00 4.60 C HETATM 1315 O40 PNS A 90 -10.752 14.929 -2.490 1.00 4.92 O HETATM 1316 N41 PNS A 90 -9.789 14.978 -4.537 1.00 5.23 N HETATM 1317 C42 PNS A 90 -11.010 15.201 -5.308 1.00 6.22 C HETATM 1318 C43 PNS A 90 -10.771 15.043 -6.801 1.00 7.02 C HETATM 1319 S44 PNS A 90 -12.134 15.606 -7.842 1.00 7.55 S HETATM 0 H432 PNS A 90 -9.871 15.595 -7.072 1.00 7.02 H new HETATM 0 H431 PNS A 90 -10.577 13.992 -7.016 1.00 7.02 H new HETATM 0 H422 PNS A 90 -11.391 16.202 -5.105 1.00 6.22 H new HETATM 0 H421 PNS A 90 -11.777 14.497 -4.986 1.00 6.22 H new HETATM 0 H382 PNS A 90 -8.041 15.540 -2.111 1.00 3.97 H new HETATM 0 H381 PNS A 90 -8.412 13.842 -1.885 1.00 3.97 H new HETATM 0 H372 PNS A 90 -7.538 13.265 -4.062 1.00 3.36 H new HETATM 0 H371 PNS A 90 -7.432 14.948 -4.540 1.00 3.36 H new HETATM 0 H313 PNS A 90 -3.068 13.460 -5.782 1.00 1.74 H new HETATM 0 H312 PNS A 90 -1.773 12.753 -4.786 1.00 1.74 H new HETATM 0 H311 PNS A 90 -1.409 14.097 -5.895 1.00 1.74 H new HETATM 0 H303 PNS A 90 -3.866 15.827 -5.263 1.00 1.67 H new HETATM 0 H302 PNS A 90 -2.180 16.386 -5.379 1.00 1.67 H new HETATM 0 H301 PNS A 90 -3.126 16.710 -3.907 1.00 1.67 H new HETATM 0 H282 PNS A 90 -0.742 14.022 -2.991 1.00 0.87 H new HETATM 0 H281 PNS A 90 -0.442 15.416 -4.011 1.00 0.87 H new HETATM 0 H44 PNS A 90 -11.827 15.429 -9.093 1.00 7.55 H new HETATM 0 H41 PNS A 90 -8.909 14.906 -5.047 1.00 5.23 H new HETATM 0 H36 PNS A 90 -5.817 14.695 -2.244 1.00 2.50 H new HETATM 0 H33 PNS A 90 -3.017 15.583 -1.976 1.00 2.32 H new HETATM 0 H32 PNS A 90 -3.214 13.090 -2.850 1.00 1.57 H new