USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 558 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0.48) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.305 (180deg=-1.17) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00449 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.6) USER MOD Single : A 7 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0.0023) USER MOD Single : A 8 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -1.65! C(o=-1.6!,f=-7.8!) USER MOD Single : A 10 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=-0.0084) USER MOD Single : A 11 SER OG : rot 109:sc= 0.505 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 124:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.058) USER MOD Single : A 36 SER OG : rot 82:sc= 1.27 USER MOD Single : A 49 HIS : no HE2:sc= 0.195 K(o=2.2,f=-9.4!) USER MOD Single : A 73 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 85 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.595 -0.854 13.548 1.00 0.00 N ATOM 2 CA MET A 1 -28.456 -1.505 12.865 1.00 52.33 C ATOM 3 C MET A 1 -27.783 -0.525 11.918 1.00 35.42 C ATOM 4 O MET A 1 -28.454 0.173 11.157 1.00 54.04 O ATOM 5 CB MET A 1 -28.937 -2.725 12.079 1.00 53.52 C ATOM 6 CG MET A 1 -27.827 -3.427 11.307 1.00 25.34 C ATOM 7 SD MET A 1 -28.442 -4.712 10.202 1.00 74.45 S ATOM 8 CE MET A 1 -29.527 -3.753 9.146 1.00 1.45 C ATOM 0 H1 MET A 1 -30.382 -1.529 13.630 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.301 -0.547 14.497 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.904 -0.028 12.997 1.00 0.00 H new ATOM 0 HA MET A 1 -27.738 -1.826 13.620 1.00 52.33 H new ATOM 0 HB2 MET A 1 -29.394 -3.435 12.769 1.00 53.52 H new ATOM 0 HB3 MET A 1 -29.714 -2.414 11.381 1.00 53.52 H new ATOM 0 HG2 MET A 1 -27.274 -2.689 10.725 1.00 25.34 H new ATOM 0 HG3 MET A 1 -27.124 -3.869 12.013 1.00 25.34 H new ATOM 0 HE1 MET A 1 -29.467 -4.130 8.125 1.00 1.45 H new ATOM 0 HE2 MET A 1 -30.553 -3.838 9.505 1.00 1.45 H new ATOM 0 HE3 MET A 1 -29.222 -2.707 9.165 1.00 1.45 H new ATOM 20 N GLY A 2 -26.460 -0.478 11.956 1.00 55.14 N ATOM 21 CA GLY A 2 -25.728 0.424 11.093 1.00 21.33 C ATOM 22 C GLY A 2 -25.450 1.750 11.765 1.00 63.40 C ATOM 23 O GLY A 2 -26.376 2.466 12.144 1.00 31.11 O ATOM 0 H GLY A 2 -25.880 -1.049 12.570 1.00 55.14 H new ATOM 0 HA2 GLY A 2 -24.785 -0.039 10.801 1.00 21.33 H new ATOM 0 HA3 GLY A 2 -26.297 0.593 10.179 1.00 21.33 H new ATOM 27 N SER A 3 -24.181 2.079 11.918 1.00 52.21 N ATOM 28 CA SER A 3 -23.795 3.318 12.563 1.00 4.22 C ATOM 29 C SER A 3 -22.627 3.944 11.814 1.00 61.24 C ATOM 30 O SER A 3 -21.469 3.550 11.991 1.00 72.25 O ATOM 31 CB SER A 3 -23.434 3.060 14.032 1.00 62.02 C ATOM 32 OG SER A 3 -23.234 4.274 14.742 1.00 62.31 O ATOM 0 H SER A 3 -23.400 1.504 11.604 1.00 52.21 H new ATOM 0 HA SER A 3 -24.633 4.015 12.540 1.00 4.22 H new ATOM 0 HB2 SER A 3 -24.230 2.487 14.508 1.00 62.02 H new ATOM 0 HB3 SER A 3 -22.529 2.454 14.084 1.00 62.02 H new ATOM 0 HG SER A 3 -23.007 4.074 15.674 1.00 62.31 H new ATOM 38 N SER A 4 -22.933 4.895 10.951 1.00 52.43 N ATOM 39 CA SER A 4 -21.906 5.585 10.198 1.00 42.22 C ATOM 40 C SER A 4 -21.439 6.803 10.982 1.00 34.23 C ATOM 41 O SER A 4 -21.952 7.907 10.810 1.00 32.11 O ATOM 42 CB SER A 4 -22.434 5.995 8.819 1.00 32.41 C ATOM 43 OG SER A 4 -21.393 6.494 7.992 1.00 42.34 O ATOM 0 H SER A 4 -23.884 5.206 10.755 1.00 52.43 H new ATOM 0 HA SER A 4 -21.060 4.915 10.045 1.00 42.22 H new ATOM 0 HB2 SER A 4 -22.903 5.137 8.338 1.00 32.41 H new ATOM 0 HB3 SER A 4 -23.205 6.757 8.935 1.00 32.41 H new ATOM 0 HG SER A 4 -21.761 6.746 7.119 1.00 42.34 H new ATOM 49 N HIS A 5 -20.491 6.586 11.878 1.00 74.42 N ATOM 50 CA HIS A 5 -19.989 7.658 12.722 1.00 44.32 C ATOM 51 C HIS A 5 -18.461 7.669 12.712 1.00 42.10 C ATOM 52 O HIS A 5 -17.808 7.307 13.690 1.00 23.13 O ATOM 53 CB HIS A 5 -20.550 7.541 14.157 1.00 15.13 C ATOM 54 CG HIS A 5 -20.123 6.317 14.918 1.00 11.31 C ATOM 55 ND1 HIS A 5 -19.565 6.379 16.175 1.00 4.11 N ATOM 56 CD2 HIS A 5 -20.169 5.001 14.597 1.00 51.22 C ATOM 57 CE1 HIS A 5 -19.286 5.159 16.592 1.00 2.22 C ATOM 58 NE2 HIS A 5 -19.640 4.302 15.654 1.00 4.05 N ATOM 0 H HIS A 5 -20.054 5.679 12.040 1.00 74.42 H new ATOM 0 HA HIS A 5 -20.333 8.610 12.318 1.00 44.32 H new ATOM 0 HB2 HIS A 5 -20.246 8.423 14.721 1.00 15.13 H new ATOM 0 HB3 HIS A 5 -21.639 7.555 14.106 1.00 15.13 H new ATOM 0 HD2 HIS A 5 -20.551 4.580 13.679 1.00 51.22 H new ATOM 0 HE1 HIS A 5 -18.842 4.904 17.543 1.00 2.22 H new ATOM 0 HE2 HIS A 5 -19.538 3.288 15.705 1.00 4.05 H new ATOM 67 N HIS A 6 -17.893 8.064 11.585 1.00 54.32 N ATOM 68 CA HIS A 6 -16.447 8.091 11.438 1.00 70.31 C ATOM 69 C HIS A 6 -15.973 9.470 10.991 1.00 62.20 C ATOM 70 O HIS A 6 -15.869 9.762 9.801 1.00 12.12 O ATOM 71 CB HIS A 6 -15.948 6.988 10.477 1.00 41.10 C ATOM 72 CG HIS A 6 -16.496 7.050 9.078 1.00 65.23 C ATOM 73 ND1 HIS A 6 -15.751 7.466 7.991 1.00 34.02 N ATOM 74 CD2 HIS A 6 -17.715 6.722 8.589 1.00 34.31 C ATOM 75 CE1 HIS A 6 -16.492 7.392 6.901 1.00 21.10 C ATOM 76 NE2 HIS A 6 -17.685 6.943 7.235 1.00 43.34 N ATOM 0 H HIS A 6 -18.409 8.370 10.760 1.00 54.32 H new ATOM 0 HA HIS A 6 -16.013 7.884 12.416 1.00 70.31 H new ATOM 0 HB2 HIS A 6 -14.861 7.041 10.425 1.00 41.10 H new ATOM 0 HB3 HIS A 6 -16.200 6.017 10.904 1.00 41.10 H new ATOM 0 HD2 HIS A 6 -18.555 6.354 9.159 1.00 34.31 H new ATOM 0 HE1 HIS A 6 -16.174 7.655 5.903 1.00 21.10 H new ATOM 0 HE2 HIS A 6 -18.460 6.785 6.591 1.00 43.34 H new ATOM 85 N HIS A 7 -15.733 10.338 11.961 1.00 40.31 N ATOM 86 CA HIS A 7 -15.196 11.659 11.681 1.00 34.41 C ATOM 87 C HIS A 7 -13.940 11.893 12.510 1.00 0.02 C ATOM 88 O HIS A 7 -13.693 12.997 12.998 1.00 74.21 O ATOM 89 CB HIS A 7 -16.246 12.764 11.919 1.00 75.32 C ATOM 90 CG HIS A 7 -16.805 12.857 13.315 1.00 65.10 C ATOM 91 ND1 HIS A 7 -18.095 12.483 13.631 1.00 52.51 N ATOM 92 CD2 HIS A 7 -16.265 13.331 14.465 1.00 64.12 C ATOM 93 CE1 HIS A 7 -18.321 12.728 14.906 1.00 24.31 C ATOM 94 NE2 HIS A 7 -17.230 13.242 15.438 1.00 14.10 N ATOM 0 H HIS A 7 -15.902 10.151 12.949 1.00 40.31 H new ATOM 0 HA HIS A 7 -14.929 11.705 10.625 1.00 34.41 H new ATOM 0 HB2 HIS A 7 -15.797 13.724 11.664 1.00 75.32 H new ATOM 0 HB3 HIS A 7 -17.074 12.605 11.228 1.00 75.32 H new ATOM 0 HD2 HIS A 7 -15.261 13.709 14.592 1.00 64.12 H new ATOM 0 HE1 HIS A 7 -19.247 12.539 15.429 1.00 24.31 H new ATOM 0 HE2 HIS A 7 -17.121 13.527 16.411 1.00 14.10 H new ATOM 103 N HIS A 8 -13.148 10.834 12.657 1.00 72.22 N ATOM 104 CA HIS A 8 -11.860 10.920 13.338 1.00 70.35 C ATOM 105 C HIS A 8 -10.891 11.700 12.455 1.00 25.25 C ATOM 106 O HIS A 8 -10.054 11.124 11.761 1.00 34.35 O ATOM 107 CB HIS A 8 -11.314 9.513 13.626 1.00 25.24 C ATOM 108 CG HIS A 8 -10.187 9.461 14.617 1.00 12.50 C ATOM 109 ND1 HIS A 8 -10.094 8.489 15.593 1.00 31.23 N ATOM 110 CD2 HIS A 8 -9.093 10.246 14.770 1.00 53.34 C ATOM 111 CE1 HIS A 8 -8.998 8.684 16.305 1.00 73.22 C ATOM 112 NE2 HIS A 8 -8.374 9.742 15.823 1.00 4.43 N ATOM 0 H HIS A 8 -13.378 9.902 12.312 1.00 72.22 H new ATOM 0 HA HIS A 8 -11.980 11.435 14.291 1.00 70.35 H new ATOM 0 HB2 HIS A 8 -12.130 8.891 13.993 1.00 25.24 H new ATOM 0 HB3 HIS A 8 -10.974 9.072 12.689 1.00 25.24 H new ATOM 0 HD2 HIS A 8 -8.835 11.108 14.173 1.00 53.34 H new ATOM 0 HE1 HIS A 8 -8.669 8.081 17.138 1.00 73.22 H new ATOM 0 HE2 HIS A 8 -7.497 10.124 16.177 1.00 4.43 H new ATOM 121 N HIS A 9 -11.045 13.007 12.465 1.00 1.12 N ATOM 122 CA HIS A 9 -10.304 13.878 11.580 1.00 41.51 C ATOM 123 C HIS A 9 -9.515 14.891 12.399 1.00 44.22 C ATOM 124 O HIS A 9 -10.089 15.803 12.992 1.00 71.50 O ATOM 125 CB HIS A 9 -11.287 14.582 10.639 1.00 64.02 C ATOM 126 CG HIS A 9 -10.649 15.326 9.511 1.00 24.13 C ATOM 127 ND1 HIS A 9 -10.619 16.699 9.438 1.00 21.35 N ATOM 128 CD2 HIS A 9 -10.051 14.878 8.384 1.00 62.24 C ATOM 129 CE1 HIS A 9 -10.032 17.066 8.316 1.00 42.12 C ATOM 130 NE2 HIS A 9 -9.678 15.981 7.655 1.00 40.23 N ATOM 0 H HIS A 9 -11.688 13.495 13.088 1.00 1.12 H new ATOM 0 HA HIS A 9 -9.598 13.298 10.985 1.00 41.51 H new ATOM 0 HB2 HIS A 9 -11.969 13.839 10.226 1.00 64.02 H new ATOM 0 HB3 HIS A 9 -11.890 15.279 11.221 1.00 64.02 H new ATOM 0 HD2 HIS A 9 -9.896 13.845 8.108 1.00 62.24 H new ATOM 0 HE1 HIS A 9 -9.869 18.083 7.993 1.00 42.12 H new ATOM 0 HE2 HIS A 9 -9.205 15.964 6.751 1.00 40.23 H new ATOM 139 N HIS A 10 -8.206 14.716 12.442 1.00 30.05 N ATOM 140 CA HIS A 10 -7.348 15.586 13.227 1.00 50.15 C ATOM 141 C HIS A 10 -6.188 16.069 12.367 1.00 22.41 C ATOM 142 O HIS A 10 -5.189 15.370 12.208 1.00 43.21 O ATOM 143 CB HIS A 10 -6.830 14.842 14.467 1.00 32.34 C ATOM 144 CG HIS A 10 -6.308 15.743 15.551 1.00 62.45 C ATOM 145 ND1 HIS A 10 -6.741 15.676 16.860 1.00 60.22 N ATOM 146 CD2 HIS A 10 -5.382 16.731 15.519 1.00 51.32 C ATOM 147 CE1 HIS A 10 -6.109 16.581 17.579 1.00 41.42 C ATOM 148 NE2 HIS A 10 -5.280 17.234 16.790 1.00 33.25 N ATOM 0 H HIS A 10 -7.713 13.977 11.941 1.00 30.05 H new ATOM 0 HA HIS A 10 -7.921 16.450 13.563 1.00 50.15 H new ATOM 0 HB2 HIS A 10 -7.636 14.231 14.874 1.00 32.34 H new ATOM 0 HB3 HIS A 10 -6.036 14.160 14.163 1.00 32.34 H new ATOM 0 HD2 HIS A 10 -4.827 17.061 14.653 1.00 51.32 H new ATOM 0 HE1 HIS A 10 -6.247 16.758 18.635 1.00 41.42 H new ATOM 0 HE2 HIS A 10 -4.662 17.992 17.079 1.00 33.25 H new ATOM 157 N SER A 11 -6.343 17.248 11.787 1.00 31.40 N ATOM 158 CA SER A 11 -5.314 17.822 10.936 1.00 52.21 C ATOM 159 C SER A 11 -5.020 19.251 11.375 1.00 51.23 C ATOM 160 O SER A 11 -5.885 20.127 11.299 1.00 62.13 O ATOM 161 CB SER A 11 -5.764 17.789 9.468 1.00 31.20 C ATOM 162 OG SER A 11 -4.702 18.117 8.584 1.00 10.31 O ATOM 0 H SER A 11 -7.175 17.828 11.891 1.00 31.40 H new ATOM 0 HA SER A 11 -4.402 17.233 11.029 1.00 52.21 H new ATOM 0 HB2 SER A 11 -6.145 16.797 9.227 1.00 31.20 H new ATOM 0 HB3 SER A 11 -6.587 18.490 9.324 1.00 31.20 H new ATOM 0 HG SER A 11 -4.425 17.315 8.094 1.00 10.31 H new ATOM 168 N SER A 12 -3.813 19.473 11.871 1.00 21.20 N ATOM 169 CA SER A 12 -3.395 20.798 12.297 1.00 34.24 C ATOM 170 C SER A 12 -1.884 20.950 12.145 1.00 43.21 C ATOM 171 O SER A 12 -1.105 20.285 12.838 1.00 53.23 O ATOM 172 CB SER A 12 -3.817 21.053 13.751 1.00 5.13 C ATOM 173 OG SER A 12 -3.492 22.373 14.157 1.00 61.33 O ATOM 0 H SER A 12 -3.104 18.749 11.988 1.00 21.20 H new ATOM 0 HA SER A 12 -3.884 21.537 11.663 1.00 34.24 H new ATOM 0 HB2 SER A 12 -4.890 20.892 13.854 1.00 5.13 H new ATOM 0 HB3 SER A 12 -3.323 20.336 14.407 1.00 5.13 H new ATOM 0 HG SER A 12 -3.773 22.508 15.086 1.00 61.33 H new ATOM 179 N GLY A 13 -1.476 21.805 11.215 1.00 63.43 N ATOM 180 CA GLY A 13 -0.067 22.073 11.018 1.00 22.22 C ATOM 181 C GLY A 13 0.601 21.056 10.115 1.00 35.04 C ATOM 182 O GLY A 13 1.471 20.303 10.557 1.00 41.23 O ATOM 0 H GLY A 13 -2.100 22.319 10.592 1.00 63.43 H new ATOM 0 HA2 GLY A 13 0.053 23.068 10.589 1.00 22.22 H new ATOM 0 HA3 GLY A 13 0.436 22.080 11.985 1.00 22.22 H new ATOM 186 N ARG A 14 0.193 21.027 8.850 1.00 63.00 N ATOM 187 CA ARG A 14 0.805 20.138 7.873 1.00 0.11 C ATOM 188 C ARG A 14 2.144 20.726 7.442 1.00 43.54 C ATOM 189 O ARG A 14 2.203 21.584 6.560 1.00 62.41 O ATOM 190 CB ARG A 14 -0.108 19.946 6.655 1.00 73.21 C ATOM 191 CG ARG A 14 0.341 18.820 5.740 1.00 74.30 C ATOM 192 CD ARG A 14 -0.470 18.772 4.456 1.00 14.52 C ATOM 193 NE ARG A 14 -0.208 19.933 3.598 1.00 55.10 N ATOM 194 CZ ARG A 14 0.611 19.910 2.545 1.00 1.32 C ATOM 195 NH1 ARG A 14 1.219 18.783 2.197 1.00 44.10 N ATOM 196 NH2 ARG A 14 0.810 21.012 1.830 1.00 43.13 N ATOM 0 H ARG A 14 -0.558 21.609 8.479 1.00 63.00 H new ATOM 0 HA ARG A 14 0.959 19.160 8.328 1.00 0.11 H new ATOM 0 HB2 ARG A 14 -1.122 19.743 6.998 1.00 73.21 H new ATOM 0 HB3 ARG A 14 -0.144 20.875 6.086 1.00 73.21 H new ATOM 0 HG2 ARG A 14 1.396 18.949 5.498 1.00 74.30 H new ATOM 0 HG3 ARG A 14 0.248 17.868 6.263 1.00 74.30 H new ATOM 0 HD2 ARG A 14 -0.233 17.858 3.912 1.00 14.52 H new ATOM 0 HD3 ARG A 14 -1.532 18.733 4.699 1.00 14.52 H new ATOM 0 HE ARG A 14 -0.680 20.810 3.820 1.00 55.10 H new ATOM 0 HH11 ARG A 14 1.061 17.931 2.735 1.00 44.10 H new ATOM 0 HH12 ARG A 14 1.845 18.769 1.391 1.00 44.10 H new ATOM 0 HH21 ARG A 14 0.336 21.878 2.086 1.00 43.13 H new ATOM 0 HH22 ARG A 14 1.437 20.992 1.025 1.00 43.13 H new ATOM 210 N GLU A 15 3.212 20.284 8.088 1.00 12.33 N ATOM 211 CA GLU A 15 4.518 20.889 7.906 1.00 44.54 C ATOM 212 C GLU A 15 5.251 20.315 6.697 1.00 15.11 C ATOM 213 O GLU A 15 5.875 19.255 6.777 1.00 72.33 O ATOM 214 CB GLU A 15 5.347 20.712 9.177 1.00 31.24 C ATOM 215 CG GLU A 15 6.693 21.410 9.135 1.00 51.52 C ATOM 216 CD GLU A 15 7.397 21.375 10.473 1.00 43.11 C ATOM 217 OE1 GLU A 15 7.167 22.290 11.290 1.00 63.11 O ATOM 218 OE2 GLU A 15 8.180 20.435 10.716 1.00 2.35 O ATOM 0 H GLU A 15 3.197 19.504 8.746 1.00 12.33 H new ATOM 0 HA GLU A 15 4.374 21.952 7.713 1.00 44.54 H new ATOM 0 HB2 GLU A 15 4.778 21.092 10.026 1.00 31.24 H new ATOM 0 HB3 GLU A 15 5.506 19.648 9.350 1.00 31.24 H new ATOM 0 HG2 GLU A 15 7.323 20.936 8.382 1.00 51.52 H new ATOM 0 HG3 GLU A 15 6.554 22.446 8.827 1.00 51.52 H new ATOM 341 N LEU A 23 2.146 11.097 -7.923 1.00 50.25 N ATOM 342 CA LEU A 23 1.893 10.114 -6.885 1.00 21.24 C ATOM 343 C LEU A 23 3.009 9.087 -6.857 1.00 2.10 C ATOM 344 O LEU A 23 3.409 8.566 -7.899 1.00 63.13 O ATOM 345 CB LEU A 23 0.555 9.415 -7.133 1.00 42.40 C ATOM 346 CG LEU A 23 -0.687 10.254 -6.830 1.00 43.44 C ATOM 347 CD1 LEU A 23 -1.860 9.799 -7.677 1.00 53.31 C ATOM 348 CD2 LEU A 23 -1.037 10.161 -5.356 1.00 73.30 C ATOM 0 HA LEU A 23 1.853 10.626 -5.923 1.00 21.24 H new ATOM 0 HB2 LEU A 23 0.516 9.101 -8.176 1.00 42.40 H new ATOM 0 HB3 LEU A 23 0.519 8.510 -6.526 1.00 42.40 H new ATOM 0 HG LEU A 23 -0.468 11.293 -7.075 1.00 43.44 H new ATOM 0 HD11 LEU A 23 -2.734 10.409 -7.446 1.00 53.31 H new ATOM 0 HD12 LEU A 23 -1.610 9.908 -8.732 1.00 53.31 H new ATOM 0 HD13 LEU A 23 -2.080 8.753 -7.462 1.00 53.31 H new ATOM 0 HD21 LEU A 23 -1.923 10.763 -5.154 1.00 73.30 H new ATOM 0 HD22 LEU A 23 -1.237 9.122 -5.094 1.00 73.30 H new ATOM 0 HD23 LEU A 23 -0.203 10.531 -4.760 1.00 73.30 H new ATOM 360 N ARG A 24 3.516 8.809 -5.671 1.00 12.34 N ATOM 361 CA ARG A 24 4.581 7.840 -5.511 1.00 44.41 C ATOM 362 C ARG A 24 4.090 6.640 -4.732 1.00 73.23 C ATOM 363 O ARG A 24 3.414 6.787 -3.709 1.00 24.04 O ATOM 364 CB ARG A 24 5.781 8.471 -4.804 1.00 73.44 C ATOM 365 CG ARG A 24 6.381 9.636 -5.565 1.00 14.22 C ATOM 366 CD ARG A 24 6.853 9.204 -6.942 1.00 11.34 C ATOM 367 NE ARG A 24 7.208 10.344 -7.776 1.00 22.03 N ATOM 368 CZ ARG A 24 8.100 10.300 -8.761 1.00 13.22 C ATOM 369 NH1 ARG A 24 8.730 9.164 -9.051 1.00 71.44 N ATOM 370 NH2 ARG A 24 8.343 11.392 -9.471 1.00 21.41 N ATOM 0 H ARG A 24 3.205 9.243 -4.802 1.00 12.34 H new ATOM 0 HA ARG A 24 4.895 7.511 -6.501 1.00 44.41 H new ATOM 0 HB2 ARG A 24 5.473 8.812 -3.815 1.00 73.44 H new ATOM 0 HB3 ARG A 24 6.547 7.710 -4.655 1.00 73.44 H new ATOM 0 HG2 ARG A 24 5.641 10.430 -5.663 1.00 14.22 H new ATOM 0 HG3 ARG A 24 7.219 10.049 -5.003 1.00 14.22 H new ATOM 0 HD2 ARG A 24 7.716 8.546 -6.840 1.00 11.34 H new ATOM 0 HD3 ARG A 24 6.068 8.627 -7.431 1.00 11.34 H new ATOM 0 HE ARG A 24 6.743 11.233 -7.593 1.00 22.03 H new ATOM 0 HH11 ARG A 24 8.530 8.319 -8.516 1.00 71.44 H new ATOM 0 HH12 ARG A 24 9.413 9.139 -9.808 1.00 71.44 H new ATOM 0 HH21 ARG A 24 7.847 12.258 -9.260 1.00 21.41 H new ATOM 0 HH22 ARG A 24 9.026 11.366 -10.228 1.00 21.41 H new ATOM 384 N GLU A 25 4.407 5.459 -5.236 1.00 3.43 N ATOM 385 CA GLU A 25 4.083 4.226 -4.542 1.00 64.13 C ATOM 386 C GLU A 25 4.867 4.179 -3.237 1.00 41.14 C ATOM 387 O GLU A 25 6.084 4.021 -3.242 1.00 71.03 O ATOM 388 CB GLU A 25 4.424 3.028 -5.437 1.00 52.14 C ATOM 389 CG GLU A 25 3.963 1.685 -4.898 1.00 30.23 C ATOM 390 CD GLU A 25 4.074 0.592 -5.942 1.00 33.41 C ATOM 391 OE1 GLU A 25 3.201 0.530 -6.832 1.00 63.32 O ATOM 392 OE2 GLU A 25 5.032 -0.206 -5.889 1.00 62.32 O ATOM 0 H GLU A 25 4.889 5.329 -6.125 1.00 3.43 H new ATOM 0 HA GLU A 25 3.018 4.184 -4.315 1.00 64.13 H new ATOM 0 HB2 GLU A 25 3.975 3.185 -6.418 1.00 52.14 H new ATOM 0 HB3 GLU A 25 5.504 2.995 -5.582 1.00 52.14 H new ATOM 0 HG2 GLU A 25 4.561 1.418 -4.027 1.00 30.23 H new ATOM 0 HG3 GLU A 25 2.929 1.763 -4.562 1.00 30.23 H new ATOM 399 N LEU A 26 4.168 4.335 -2.124 1.00 15.21 N ATOM 400 CA LEU A 26 4.821 4.474 -0.832 1.00 70.11 C ATOM 401 C LEU A 26 5.086 3.111 -0.211 1.00 14.32 C ATOM 402 O LEU A 26 6.222 2.789 0.140 1.00 74.10 O ATOM 403 CB LEU A 26 3.964 5.335 0.098 1.00 22.33 C ATOM 404 CG LEU A 26 4.621 5.717 1.424 1.00 73.51 C ATOM 405 CD1 LEU A 26 5.912 6.485 1.181 1.00 2.34 C ATOM 406 CD2 LEU A 26 3.662 6.540 2.268 1.00 52.43 C ATOM 0 H LEU A 26 3.149 4.369 -2.089 1.00 15.21 H new ATOM 0 HA LEU A 26 5.782 4.967 -0.979 1.00 70.11 H new ATOM 0 HB2 LEU A 26 3.690 6.249 -0.429 1.00 22.33 H new ATOM 0 HB3 LEU A 26 3.038 4.800 0.311 1.00 22.33 H new ATOM 0 HG LEU A 26 4.865 4.803 1.966 1.00 73.51 H new ATOM 0 HD11 LEU A 26 6.364 6.748 2.137 1.00 2.34 H new ATOM 0 HD12 LEU A 26 6.603 5.864 0.611 1.00 2.34 H new ATOM 0 HD13 LEU A 26 5.695 7.394 0.620 1.00 2.34 H new ATOM 0 HD21 LEU A 26 4.142 6.806 3.210 1.00 52.43 H new ATOM 0 HD22 LEU A 26 3.391 7.448 1.730 1.00 52.43 H new ATOM 0 HD23 LEU A 26 2.764 5.957 2.471 1.00 52.43 H new ATOM 418 N LEU A 27 4.039 2.313 -0.081 1.00 1.32 N ATOM 419 CA LEU A 27 4.169 0.965 0.449 1.00 53.05 C ATOM 420 C LEU A 27 3.130 0.054 -0.181 1.00 73.11 C ATOM 421 O LEU A 27 2.100 0.517 -0.673 1.00 51.20 O ATOM 422 CB LEU A 27 4.025 0.942 1.977 1.00 20.40 C ATOM 423 CG LEU A 27 2.653 1.335 2.537 1.00 14.42 C ATOM 424 CD1 LEU A 27 2.468 0.742 3.922 1.00 72.30 C ATOM 425 CD2 LEU A 27 2.510 2.843 2.610 1.00 15.12 C ATOM 0 H LEU A 27 3.087 2.576 -0.336 1.00 1.32 H new ATOM 0 HA LEU A 27 5.168 0.606 0.200 1.00 53.05 H new ATOM 0 HB2 LEU A 27 4.263 -0.062 2.328 1.00 20.40 H new ATOM 0 HB3 LEU A 27 4.772 1.613 2.401 1.00 20.40 H new ATOM 0 HG LEU A 27 1.888 0.944 1.866 1.00 14.42 H new ATOM 0 HD11 LEU A 27 1.491 1.026 4.312 1.00 72.30 H new ATOM 0 HD12 LEU A 27 2.534 -0.344 3.864 1.00 72.30 H new ATOM 0 HD13 LEU A 27 3.247 1.118 4.586 1.00 72.30 H new ATOM 0 HD21 LEU A 27 1.528 3.096 3.010 1.00 15.12 H new ATOM 0 HD22 LEU A 27 3.284 3.251 3.261 1.00 15.12 H new ATOM 0 HD23 LEU A 27 2.615 3.267 1.611 1.00 15.12 H new ATOM 437 N ARG A 28 3.407 -1.240 -0.171 1.00 11.04 N ATOM 438 CA ARG A 28 2.499 -2.226 -0.729 1.00 32.12 C ATOM 439 C ARG A 28 2.517 -3.481 0.130 1.00 62.11 C ATOM 440 O ARG A 28 3.565 -4.110 0.290 1.00 21.13 O ATOM 441 CB ARG A 28 2.907 -2.578 -2.163 1.00 72.40 C ATOM 442 CG ARG A 28 2.008 -3.617 -2.812 1.00 10.42 C ATOM 443 CD ARG A 28 2.564 -4.090 -4.148 1.00 11.11 C ATOM 444 NE ARG A 28 3.859 -4.754 -4.001 1.00 52.05 N ATOM 445 CZ ARG A 28 4.421 -5.504 -4.943 1.00 72.24 C ATOM 446 NH1 ARG A 28 3.805 -5.700 -6.101 1.00 42.04 N ATOM 447 NH2 ARG A 28 5.598 -6.067 -4.718 1.00 23.34 N ATOM 0 H ARG A 28 4.262 -1.633 0.222 1.00 11.04 H new ATOM 0 HA ARG A 28 1.493 -1.807 -0.743 1.00 32.12 H new ATOM 0 HB2 ARG A 28 2.897 -1.671 -2.768 1.00 72.40 H new ATOM 0 HB3 ARG A 28 3.932 -2.947 -2.160 1.00 72.40 H new ATOM 0 HG2 ARG A 28 1.896 -4.470 -2.142 1.00 10.42 H new ATOM 0 HG3 ARG A 28 1.014 -3.196 -2.961 1.00 10.42 H new ATOM 0 HD2 ARG A 28 1.856 -4.776 -4.612 1.00 11.11 H new ATOM 0 HD3 ARG A 28 2.668 -3.237 -4.819 1.00 11.11 H new ATOM 0 HE ARG A 28 4.361 -4.634 -3.121 1.00 52.05 H new ATOM 0 HH11 ARG A 28 2.894 -5.274 -6.273 1.00 42.04 H new ATOM 0 HH12 ARG A 28 4.242 -6.277 -6.820 1.00 42.04 H new ATOM 0 HH21 ARG A 28 6.069 -5.924 -3.825 1.00 23.34 H new ATOM 0 HH22 ARG A 28 6.033 -6.644 -5.438 1.00 23.34 H new ATOM 461 N THR A 29 1.369 -3.846 0.677 1.00 21.03 N ATOM 462 CA THR A 29 1.274 -5.033 1.501 1.00 31.01 C ATOM 463 C THR A 29 -0.112 -5.652 1.370 1.00 42.41 C ATOM 464 O THR A 29 -1.056 -4.993 0.932 1.00 32.21 O ATOM 465 CB THR A 29 1.588 -4.715 2.985 1.00 41.13 C ATOM 466 OG1 THR A 29 1.859 -5.923 3.705 1.00 14.20 O ATOM 467 CG2 THR A 29 0.442 -3.969 3.656 1.00 64.11 C ATOM 0 H THR A 29 0.493 -3.336 0.564 1.00 21.03 H new ATOM 0 HA THR A 29 2.017 -5.749 1.151 1.00 31.01 H new ATOM 0 HB THR A 29 2.468 -4.072 3.001 1.00 41.13 H new ATOM 0 HG1 THR A 29 2.742 -5.862 4.126 1.00 14.20 H new ATOM 0 HG21 THR A 29 0.700 -3.764 4.695 1.00 64.11 H new ATOM 0 HG22 THR A 29 0.265 -3.029 3.134 1.00 64.11 H new ATOM 0 HG23 THR A 29 -0.460 -4.580 3.620 1.00 64.11 H new ATOM 475 N ASN A 30 -0.226 -6.918 1.729 1.00 24.01 N ATOM 476 CA ASN A 30 -1.492 -7.630 1.631 1.00 52.10 C ATOM 477 C ASN A 30 -2.085 -7.859 3.016 1.00 71.35 C ATOM 478 O ASN A 30 -3.051 -8.608 3.172 1.00 33.12 O ATOM 479 CB ASN A 30 -1.308 -8.969 0.905 1.00 1.34 C ATOM 480 CG ASN A 30 -0.286 -9.867 1.577 1.00 32.23 C ATOM 481 OD1 ASN A 30 0.903 -9.807 1.268 1.00 41.24 O ATOM 482 ND2 ASN A 30 -0.740 -10.707 2.495 1.00 52.43 N ATOM 0 H ASN A 30 0.545 -7.478 2.093 1.00 24.01 H new ATOM 0 HA ASN A 30 -2.182 -7.016 1.053 1.00 52.10 H new ATOM 0 HB2 ASN A 30 -2.266 -9.487 0.860 1.00 1.34 H new ATOM 0 HB3 ASN A 30 -0.999 -8.780 -0.123 1.00 1.34 H new ATOM 0 HD21 ASN A 30 -0.095 -11.335 2.975 1.00 52.43 H new ATOM 0 HD22 ASN A 30 -1.734 -10.725 2.722 1.00 52.43 H new ATOM 489 N ASP A 31 -1.502 -7.218 4.020 1.00 42.12 N ATOM 490 CA ASP A 31 -2.015 -7.322 5.380 1.00 21.15 C ATOM 491 C ASP A 31 -2.997 -6.191 5.656 1.00 63.20 C ATOM 492 O ASP A 31 -2.603 -5.032 5.799 1.00 72.15 O ATOM 493 CB ASP A 31 -0.874 -7.291 6.398 1.00 63.14 C ATOM 494 CG ASP A 31 -1.370 -7.458 7.820 1.00 24.01 C ATOM 495 OD1 ASP A 31 -1.657 -8.605 8.221 1.00 31.33 O ATOM 496 OD2 ASP A 31 -1.477 -6.446 8.539 1.00 55.15 O ATOM 0 H ASP A 31 -0.679 -6.624 3.920 1.00 42.12 H new ATOM 0 HA ASP A 31 -2.533 -8.276 5.479 1.00 21.15 H new ATOM 0 HB2 ASP A 31 -0.163 -8.084 6.168 1.00 63.14 H new ATOM 0 HB3 ASP A 31 -0.337 -6.346 6.311 1.00 63.14 H new ATOM 501 N ALA A 32 -4.280 -6.537 5.722 1.00 14.24 N ATOM 502 CA ALA A 32 -5.343 -5.549 5.876 1.00 71.35 C ATOM 503 C ALA A 32 -5.257 -4.825 7.216 1.00 40.15 C ATOM 504 O ALA A 32 -5.694 -3.682 7.340 1.00 3.51 O ATOM 505 CB ALA A 32 -6.705 -6.210 5.726 1.00 72.22 C ATOM 0 H ALA A 32 -4.610 -7.501 5.671 1.00 14.24 H new ATOM 0 HA ALA A 32 -5.214 -4.806 5.089 1.00 71.35 H new ATOM 0 HB1 ALA A 32 -7.488 -5.461 5.843 1.00 72.22 H new ATOM 0 HB2 ALA A 32 -6.782 -6.664 4.738 1.00 72.22 H new ATOM 0 HB3 ALA A 32 -6.822 -6.980 6.489 1.00 72.22 H new ATOM 511 N VAL A 33 -4.688 -5.491 8.213 1.00 73.34 N ATOM 512 CA VAL A 33 -4.563 -4.908 9.545 1.00 15.51 C ATOM 513 C VAL A 33 -3.603 -3.724 9.521 1.00 64.33 C ATOM 514 O VAL A 33 -3.934 -2.631 9.989 1.00 31.33 O ATOM 515 CB VAL A 33 -4.077 -5.944 10.585 1.00 3.34 C ATOM 516 CG1 VAL A 33 -4.048 -5.335 11.980 1.00 70.41 C ATOM 517 CG2 VAL A 33 -4.956 -7.183 10.558 1.00 21.03 C ATOM 0 H VAL A 33 -4.306 -6.433 8.126 1.00 73.34 H new ATOM 0 HA VAL A 33 -5.556 -4.569 9.841 1.00 15.51 H new ATOM 0 HB VAL A 33 -3.061 -6.240 10.322 1.00 3.34 H new ATOM 0 HG11 VAL A 33 -3.703 -6.081 12.696 1.00 70.41 H new ATOM 0 HG12 VAL A 33 -3.370 -4.482 11.990 1.00 70.41 H new ATOM 0 HG13 VAL A 33 -5.050 -5.005 12.254 1.00 70.41 H new ATOM 0 HG21 VAL A 33 -4.597 -7.900 11.297 1.00 21.03 H new ATOM 0 HG22 VAL A 33 -5.984 -6.905 10.791 1.00 21.03 H new ATOM 0 HG23 VAL A 33 -4.918 -7.634 9.567 1.00 21.03 H new ATOM 527 N LEU A 34 -2.425 -3.944 8.959 1.00 35.24 N ATOM 528 CA LEU A 34 -1.428 -2.894 8.834 1.00 63.51 C ATOM 529 C LEU A 34 -1.938 -1.785 7.917 1.00 24.03 C ATOM 530 O LEU A 34 -1.719 -0.598 8.175 1.00 4.22 O ATOM 531 CB LEU A 34 -0.120 -3.470 8.290 1.00 13.23 C ATOM 532 CG LEU A 34 1.086 -2.541 8.393 1.00 61.11 C ATOM 533 CD1 LEU A 34 1.401 -2.251 9.851 1.00 33.44 C ATOM 534 CD2 LEU A 34 2.290 -3.153 7.697 1.00 0.12 C ATOM 0 H LEU A 34 -2.135 -4.846 8.580 1.00 35.24 H new ATOM 0 HA LEU A 34 -1.241 -2.471 9.821 1.00 63.51 H new ATOM 0 HB2 LEU A 34 0.104 -4.392 8.826 1.00 13.23 H new ATOM 0 HB3 LEU A 34 -0.266 -3.737 7.243 1.00 13.23 H new ATOM 0 HG LEU A 34 0.846 -1.601 7.896 1.00 61.11 H new ATOM 0 HD11 LEU A 34 2.263 -1.587 9.912 1.00 33.44 H new ATOM 0 HD12 LEU A 34 0.541 -1.773 10.321 1.00 33.44 H new ATOM 0 HD13 LEU A 34 1.625 -3.184 10.368 1.00 33.44 H new ATOM 0 HD21 LEU A 34 3.141 -2.477 7.780 1.00 0.12 H new ATOM 0 HD22 LEU A 34 2.536 -4.106 8.166 1.00 0.12 H new ATOM 0 HD23 LEU A 34 2.058 -3.316 6.645 1.00 0.12 H new ATOM 546 N LEU A 35 -2.634 -2.181 6.857 1.00 15.24 N ATOM 547 CA LEU A 35 -3.237 -1.231 5.925 1.00 51.04 C ATOM 548 C LEU A 35 -4.262 -0.347 6.630 1.00 53.45 C ATOM 549 O LEU A 35 -4.426 0.820 6.279 1.00 41.51 O ATOM 550 CB LEU A 35 -3.899 -1.972 4.763 1.00 21.13 C ATOM 551 CG LEU A 35 -2.934 -2.612 3.765 1.00 54.23 C ATOM 552 CD1 LEU A 35 -3.687 -3.529 2.818 1.00 13.34 C ATOM 553 CD2 LEU A 35 -2.195 -1.537 2.984 1.00 62.04 C ATOM 0 H LEU A 35 -2.796 -3.160 6.620 1.00 15.24 H new ATOM 0 HA LEU A 35 -2.443 -0.594 5.535 1.00 51.04 H new ATOM 0 HB2 LEU A 35 -4.545 -2.750 5.170 1.00 21.13 H new ATOM 0 HB3 LEU A 35 -4.541 -1.274 4.226 1.00 21.13 H new ATOM 0 HG LEU A 35 -2.205 -3.205 4.316 1.00 54.23 H new ATOM 0 HD11 LEU A 35 -2.987 -3.978 2.113 1.00 13.34 H new ATOM 0 HD12 LEU A 35 -4.181 -4.315 3.389 1.00 13.34 H new ATOM 0 HD13 LEU A 35 -4.434 -2.953 2.271 1.00 13.34 H new ATOM 0 HD21 LEU A 35 -1.511 -2.006 2.277 1.00 62.04 H new ATOM 0 HD22 LEU A 35 -2.913 -0.923 2.441 1.00 62.04 H new ATOM 0 HD23 LEU A 35 -1.630 -0.910 3.674 1.00 62.04 H new ATOM 565 N SER A 36 -4.939 -0.904 7.625 1.00 42.54 N ATOM 566 CA SER A 36 -5.909 -0.149 8.405 1.00 44.10 C ATOM 567 C SER A 36 -5.205 0.883 9.282 1.00 0.21 C ATOM 568 O SER A 36 -5.678 2.012 9.436 1.00 41.32 O ATOM 569 CB SER A 36 -6.754 -1.091 9.267 1.00 61.12 C ATOM 570 OG SER A 36 -7.455 -2.025 8.464 1.00 4.15 O ATOM 0 H SER A 36 -4.834 -1.877 7.911 1.00 42.54 H new ATOM 0 HA SER A 36 -6.569 0.376 7.715 1.00 44.10 H new ATOM 0 HB2 SER A 36 -6.111 -1.621 9.970 1.00 61.12 H new ATOM 0 HB3 SER A 36 -7.462 -0.511 9.858 1.00 61.12 H new ATOM 0 HG SER A 36 -6.858 -2.765 8.226 1.00 4.15 H new ATOM 576 N ALA A 37 -4.065 0.494 9.846 1.00 62.20 N ATOM 577 CA ALA A 37 -3.274 1.398 10.671 1.00 43.14 C ATOM 578 C ALA A 37 -2.736 2.550 9.833 1.00 32.54 C ATOM 579 O ALA A 37 -2.938 3.719 10.163 1.00 73.13 O ATOM 580 CB ALA A 37 -2.137 0.645 11.348 1.00 1.31 C ATOM 0 H ALA A 37 -3.670 -0.441 9.746 1.00 62.20 H new ATOM 0 HA ALA A 37 -3.918 1.812 11.447 1.00 43.14 H new ATOM 0 HB1 ALA A 37 -1.557 1.336 11.960 1.00 1.31 H new ATOM 0 HB2 ALA A 37 -2.548 -0.143 11.980 1.00 1.31 H new ATOM 0 HB3 ALA A 37 -1.491 0.202 10.590 1.00 1.31 H new ATOM 586 N VAL A 38 -2.071 2.207 8.732 1.00 34.23 N ATOM 587 CA VAL A 38 -1.543 3.203 7.806 1.00 61.02 C ATOM 588 C VAL A 38 -2.672 4.060 7.246 1.00 2.33 C ATOM 589 O VAL A 38 -2.542 5.279 7.116 1.00 14.45 O ATOM 590 CB VAL A 38 -0.784 2.534 6.639 1.00 43.35 C ATOM 591 CG1 VAL A 38 -0.288 3.567 5.637 1.00 72.01 C ATOM 592 CG2 VAL A 38 0.377 1.703 7.163 1.00 64.14 C ATOM 0 H VAL A 38 -1.885 1.242 8.460 1.00 34.23 H new ATOM 0 HA VAL A 38 -0.848 3.833 8.361 1.00 61.02 H new ATOM 0 HB VAL A 38 -1.482 1.874 6.123 1.00 43.35 H new ATOM 0 HG11 VAL A 38 0.242 3.064 4.828 1.00 72.01 H new ATOM 0 HG12 VAL A 38 -1.137 4.115 5.229 1.00 72.01 H new ATOM 0 HG13 VAL A 38 0.387 4.263 6.136 1.00 72.01 H new ATOM 0 HG21 VAL A 38 0.900 1.240 6.326 1.00 64.14 H new ATOM 0 HG22 VAL A 38 1.067 2.346 7.710 1.00 64.14 H new ATOM 0 HG23 VAL A 38 -0.002 0.927 7.828 1.00 64.14 H new ATOM 602 N GLY A 39 -3.787 3.411 6.942 1.00 54.15 N ATOM 603 CA GLY A 39 -4.934 4.107 6.401 1.00 30.12 C ATOM 604 C GLY A 39 -5.477 5.147 7.357 1.00 22.00 C ATOM 605 O GLY A 39 -5.682 6.293 6.970 1.00 43.54 O ATOM 0 H GLY A 39 -3.917 2.406 7.062 1.00 54.15 H new ATOM 0 HA2 GLY A 39 -4.655 4.588 5.464 1.00 30.12 H new ATOM 0 HA3 GLY A 39 -5.718 3.386 6.168 1.00 30.12 H new ATOM 609 N ALA A 40 -5.685 4.748 8.607 1.00 73.12 N ATOM 610 CA ALA A 40 -6.226 5.640 9.626 1.00 32.35 C ATOM 611 C ALA A 40 -5.283 6.810 9.896 1.00 51.13 C ATOM 612 O ALA A 40 -5.726 7.913 10.221 1.00 43.21 O ATOM 613 CB ALA A 40 -6.500 4.872 10.911 1.00 52.12 C ATOM 0 H ALA A 40 -5.485 3.805 8.941 1.00 73.12 H new ATOM 0 HA ALA A 40 -7.165 6.047 9.251 1.00 32.35 H new ATOM 0 HB1 ALA A 40 -6.903 5.551 11.662 1.00 52.12 H new ATOM 0 HB2 ALA A 40 -7.221 4.079 10.714 1.00 52.12 H new ATOM 0 HB3 ALA A 40 -5.572 4.435 11.279 1.00 52.12 H new ATOM 619 N LEU A 41 -3.987 6.564 9.751 1.00 23.14 N ATOM 620 CA LEU A 41 -2.983 7.602 9.950 1.00 74.40 C ATOM 621 C LEU A 41 -3.133 8.704 8.907 1.00 45.33 C ATOM 622 O LEU A 41 -3.225 9.885 9.246 1.00 11.04 O ATOM 623 CB LEU A 41 -1.576 7.001 9.874 1.00 20.31 C ATOM 624 CG LEU A 41 -1.198 6.060 11.019 1.00 72.10 C ATOM 625 CD1 LEU A 41 0.151 5.414 10.754 1.00 21.25 C ATOM 626 CD2 LEU A 41 -1.165 6.815 12.334 1.00 31.43 C ATOM 0 H LEU A 41 -3.606 5.653 9.496 1.00 23.14 H new ATOM 0 HA LEU A 41 -3.132 8.036 10.939 1.00 74.40 H new ATOM 0 HB2 LEU A 41 -1.483 6.457 8.934 1.00 20.31 H new ATOM 0 HB3 LEU A 41 -0.853 7.816 9.843 1.00 20.31 H new ATOM 0 HG LEU A 41 -1.953 5.276 11.083 1.00 72.10 H new ATOM 0 HD11 LEU A 41 0.404 4.748 11.579 1.00 21.25 H new ATOM 0 HD12 LEU A 41 0.105 4.842 9.827 1.00 21.25 H new ATOM 0 HD13 LEU A 41 0.914 6.188 10.666 1.00 21.25 H new ATOM 0 HD21 LEU A 41 -0.895 6.132 13.139 1.00 31.43 H new ATOM 0 HD22 LEU A 41 -0.428 7.616 12.275 1.00 31.43 H new ATOM 0 HD23 LEU A 41 -2.148 7.240 12.534 1.00 31.43 H new ATOM 638 N LEU A 42 -3.175 8.308 7.641 1.00 35.24 N ATOM 639 CA LEU A 42 -3.315 9.261 6.546 1.00 12.51 C ATOM 640 C LEU A 42 -4.725 9.840 6.508 1.00 35.30 C ATOM 641 O LEU A 42 -4.907 11.034 6.281 1.00 1.24 O ATOM 642 CB LEU A 42 -2.997 8.586 5.210 1.00 3.42 C ATOM 643 CG LEU A 42 -1.629 7.909 5.132 1.00 43.13 C ATOM 644 CD1 LEU A 42 -1.443 7.239 3.783 1.00 44.21 C ATOM 645 CD2 LEU A 42 -0.514 8.913 5.385 1.00 45.42 C ATOM 0 H LEU A 42 -3.114 7.333 7.347 1.00 35.24 H new ATOM 0 HA LEU A 42 -2.609 10.074 6.713 1.00 12.51 H new ATOM 0 HB2 LEU A 42 -3.766 7.841 5.006 1.00 3.42 H new ATOM 0 HB3 LEU A 42 -3.060 9.334 4.419 1.00 3.42 H new ATOM 0 HG LEU A 42 -1.583 7.145 5.908 1.00 43.13 H new ATOM 0 HD11 LEU A 42 -0.464 6.762 3.746 1.00 44.21 H new ATOM 0 HD12 LEU A 42 -2.219 6.486 3.640 1.00 44.21 H new ATOM 0 HD13 LEU A 42 -1.513 7.986 2.993 1.00 44.21 H new ATOM 0 HD21 LEU A 42 0.450 8.409 5.325 1.00 45.42 H new ATOM 0 HD22 LEU A 42 -0.558 9.703 4.635 1.00 45.42 H new ATOM 0 HD23 LEU A 42 -0.634 9.348 6.377 1.00 45.42 H new ATOM 657 N ASP A 43 -5.717 8.988 6.752 1.00 61.02 N ATOM 658 CA ASP A 43 -7.122 9.393 6.693 1.00 11.01 C ATOM 659 C ASP A 43 -7.434 10.389 7.805 1.00 61.44 C ATOM 660 O ASP A 43 -8.214 11.326 7.621 1.00 50.45 O ATOM 661 CB ASP A 43 -8.032 8.167 6.828 1.00 44.41 C ATOM 662 CG ASP A 43 -9.317 8.291 6.034 1.00 71.22 C ATOM 663 OD1 ASP A 43 -9.286 8.007 4.814 1.00 14.02 O ATOM 664 OD2 ASP A 43 -10.364 8.647 6.617 1.00 54.21 O ATOM 0 H ASP A 43 -5.574 8.007 6.994 1.00 61.02 H new ATOM 0 HA ASP A 43 -7.304 9.869 5.729 1.00 11.01 H new ATOM 0 HB2 ASP A 43 -7.490 7.281 6.496 1.00 44.41 H new ATOM 0 HB3 ASP A 43 -8.275 8.016 7.880 1.00 44.41 H new ATOM 669 N GLY A 44 -6.805 10.184 8.958 1.00 13.02 N ATOM 670 CA GLY A 44 -7.013 11.071 10.087 1.00 63.11 C ATOM 671 C GLY A 44 -6.339 12.414 9.897 1.00 34.04 C ATOM 672 O GLY A 44 -6.874 13.445 10.302 1.00 12.45 O ATOM 0 H GLY A 44 -6.154 9.418 9.130 1.00 13.02 H new ATOM 0 HA2 GLY A 44 -8.082 11.222 10.235 1.00 63.11 H new ATOM 0 HA3 GLY A 44 -6.629 10.600 10.992 1.00 63.11 H new ATOM 676 N ALA A 45 -5.174 12.403 9.255 1.00 31.35 N ATOM 677 CA ALA A 45 -4.407 13.625 9.038 1.00 73.34 C ATOM 678 C ALA A 45 -4.855 14.349 7.772 1.00 52.21 C ATOM 679 O ALA A 45 -4.325 15.412 7.440 1.00 4.14 O ATOM 680 CB ALA A 45 -2.923 13.303 8.968 1.00 64.44 C ATOM 0 H ALA A 45 -4.741 11.561 8.876 1.00 31.35 H new ATOM 0 HA ALA A 45 -4.589 14.292 9.881 1.00 73.34 H new ATOM 0 HB1 ALA A 45 -2.359 14.221 8.806 1.00 64.44 H new ATOM 0 HB2 ALA A 45 -2.606 12.843 9.904 1.00 64.44 H new ATOM 0 HB3 ALA A 45 -2.739 12.614 8.144 1.00 64.44 H new ATOM 686 N ASP A 46 -5.830 13.757 7.077 1.00 4.45 N ATOM 687 CA ASP A 46 -6.418 14.342 5.867 1.00 32.44 C ATOM 688 C ASP A 46 -5.430 14.286 4.699 1.00 55.53 C ATOM 689 O ASP A 46 -5.480 15.100 3.777 1.00 3.44 O ATOM 690 CB ASP A 46 -6.872 15.789 6.128 1.00 21.24 C ATOM 691 CG ASP A 46 -7.826 16.309 5.072 1.00 44.21 C ATOM 692 OD1 ASP A 46 -8.994 15.864 5.053 1.00 3.14 O ATOM 693 OD2 ASP A 46 -7.433 17.192 4.285 1.00 44.13 O ATOM 0 H ASP A 46 -6.235 12.858 7.337 1.00 4.45 H new ATOM 0 HA ASP A 46 -7.294 13.753 5.597 1.00 32.44 H new ATOM 0 HB2 ASP A 46 -7.355 15.842 7.104 1.00 21.24 H new ATOM 0 HB3 ASP A 46 -5.996 16.437 6.170 1.00 21.24 H new ATOM 698 N ILE A 47 -4.547 13.300 4.728 1.00 44.12 N ATOM 699 CA ILE A 47 -3.574 13.118 3.661 1.00 62.32 C ATOM 700 C ILE A 47 -4.194 12.330 2.512 1.00 73.44 C ATOM 701 O ILE A 47 -4.780 11.263 2.723 1.00 43.31 O ATOM 702 CB ILE A 47 -2.307 12.394 4.170 1.00 30.24 C ATOM 703 CG1 ILE A 47 -1.645 13.217 5.278 1.00 42.45 C ATOM 704 CG2 ILE A 47 -1.329 12.147 3.028 1.00 70.41 C ATOM 705 CD1 ILE A 47 -0.436 12.551 5.902 1.00 70.03 C ATOM 0 H ILE A 47 -4.484 12.613 5.479 1.00 44.12 H new ATOM 0 HA ILE A 47 -3.281 14.106 3.306 1.00 62.32 H new ATOM 0 HB ILE A 47 -2.599 11.426 4.577 1.00 30.24 H new ATOM 0 HG12 ILE A 47 -1.345 14.182 4.870 1.00 42.45 H new ATOM 0 HG13 ILE A 47 -2.380 13.416 6.058 1.00 42.45 H new ATOM 0 HG21 ILE A 47 -0.445 11.636 3.410 1.00 70.41 H new ATOM 0 HG22 ILE A 47 -1.806 11.528 2.268 1.00 70.41 H new ATOM 0 HG23 ILE A 47 -1.036 13.100 2.588 1.00 70.41 H new ATOM 0 HD11 ILE A 47 -0.024 13.197 6.677 1.00 70.03 H new ATOM 0 HD12 ILE A 47 -0.732 11.599 6.342 1.00 70.03 H new ATOM 0 HD13 ILE A 47 0.320 12.377 5.136 1.00 70.03 H new ATOM 717 N GLY A 48 -4.077 12.871 1.306 1.00 54.51 N ATOM 718 CA GLY A 48 -4.668 12.241 0.144 1.00 21.44 C ATOM 719 C GLY A 48 -4.004 10.922 -0.184 1.00 31.32 C ATOM 720 O GLY A 48 -2.845 10.888 -0.605 1.00 65.24 O ATOM 0 H GLY A 48 -3.580 13.740 1.113 1.00 54.51 H new ATOM 0 HA2 GLY A 48 -5.731 12.078 0.321 1.00 21.44 H new ATOM 0 HA3 GLY A 48 -4.587 12.911 -0.712 1.00 21.44 H new ATOM 724 N HIS A 49 -4.731 9.835 0.015 1.00 0.35 N ATOM 725 CA HIS A 49 -4.184 8.509 -0.216 1.00 74.14 C ATOM 726 C HIS A 49 -4.802 7.858 -1.450 1.00 71.33 C ATOM 727 O HIS A 49 -6.022 7.849 -1.619 1.00 4.50 O ATOM 728 CB HIS A 49 -4.371 7.605 1.021 1.00 40.32 C ATOM 729 CG HIS A 49 -5.771 7.538 1.578 1.00 21.12 C ATOM 730 ND1 HIS A 49 -6.906 7.468 0.799 1.00 21.02 N ATOM 731 CD2 HIS A 49 -6.207 7.527 2.861 1.00 55.53 C ATOM 732 CE1 HIS A 49 -7.972 7.416 1.576 1.00 25.53 C ATOM 733 NE2 HIS A 49 -7.578 7.451 2.832 1.00 73.21 N ATOM 0 H HIS A 49 -5.699 9.845 0.335 1.00 0.35 H new ATOM 0 HA HIS A 49 -3.115 8.627 -0.396 1.00 74.14 H new ATOM 0 HB2 HIS A 49 -4.055 6.595 0.761 1.00 40.32 H new ATOM 0 HB3 HIS A 49 -3.703 7.955 1.808 1.00 40.32 H new ATOM 0 HD1 HIS A 49 -6.920 7.458 -0.221 1.00 21.02 H new ATOM 0 HD2 HIS A 49 -5.589 7.570 3.746 1.00 55.53 H new ATOM 0 HE1 HIS A 49 -8.996 7.355 1.238 1.00 25.53 H new ATOM 742 N LEU A 50 -3.954 7.335 -2.317 1.00 61.32 N ATOM 743 CA LEU A 50 -4.409 6.529 -3.435 1.00 75.44 C ATOM 744 C LEU A 50 -4.265 5.059 -3.073 1.00 1.12 C ATOM 745 O LEU A 50 -3.160 4.517 -3.067 1.00 11.11 O ATOM 746 CB LEU A 50 -3.610 6.847 -4.704 1.00 23.14 C ATOM 747 CG LEU A 50 -4.028 6.061 -5.950 1.00 52.24 C ATOM 748 CD1 LEU A 50 -5.456 6.397 -6.348 1.00 14.11 C ATOM 749 CD2 LEU A 50 -3.073 6.337 -7.102 1.00 3.43 C ATOM 0 H LEU A 50 -2.942 7.455 -2.268 1.00 61.32 H new ATOM 0 HA LEU A 50 -5.455 6.758 -3.638 1.00 75.44 H new ATOM 0 HB2 LEU A 50 -3.705 7.912 -4.917 1.00 23.14 H new ATOM 0 HB3 LEU A 50 -2.555 6.653 -4.508 1.00 23.14 H new ATOM 0 HG LEU A 50 -3.983 4.998 -5.712 1.00 52.24 H new ATOM 0 HD11 LEU A 50 -5.730 5.827 -7.235 1.00 14.11 H new ATOM 0 HD12 LEU A 50 -6.131 6.143 -5.531 1.00 14.11 H new ATOM 0 HD13 LEU A 50 -5.532 7.463 -6.564 1.00 14.11 H new ATOM 0 HD21 LEU A 50 -3.386 5.770 -7.978 1.00 3.43 H new ATOM 0 HD22 LEU A 50 -3.083 7.402 -7.336 1.00 3.43 H new ATOM 0 HD23 LEU A 50 -2.064 6.038 -6.818 1.00 3.43 H new ATOM 761 N VAL A 51 -5.378 4.431 -2.735 1.00 63.24 N ATOM 762 CA VAL A 51 -5.372 3.050 -2.277 1.00 14.25 C ATOM 763 C VAL A 51 -6.351 2.214 -3.088 1.00 43.21 C ATOM 764 O VAL A 51 -7.231 2.761 -3.752 1.00 74.40 O ATOM 765 CB VAL A 51 -5.716 2.944 -0.770 1.00 13.03 C ATOM 766 CG1 VAL A 51 -4.542 3.407 0.076 1.00 72.24 C ATOM 767 CG2 VAL A 51 -6.957 3.761 -0.435 1.00 0.11 C ATOM 0 H VAL A 51 -6.304 4.858 -2.769 1.00 63.24 H new ATOM 0 HA VAL A 51 -4.362 2.665 -2.422 1.00 14.25 H new ATOM 0 HB VAL A 51 -5.923 1.898 -0.545 1.00 13.03 H new ATOM 0 HG11 VAL A 51 -4.800 3.326 1.132 1.00 72.24 H new ATOM 0 HG12 VAL A 51 -3.674 2.783 -0.134 1.00 72.24 H new ATOM 0 HG13 VAL A 51 -4.309 4.445 -0.162 1.00 72.24 H new ATOM 0 HG21 VAL A 51 -7.177 3.669 0.629 1.00 0.11 H new ATOM 0 HG22 VAL A 51 -6.780 4.808 -0.680 1.00 0.11 H new ATOM 0 HG23 VAL A 51 -7.803 3.391 -1.013 1.00 0.11 H new ATOM 999 N PRO A 67 -2.450 -7.225 -3.502 1.00 2.31 N ATOM 1000 CA PRO A 67 -1.632 -6.475 -2.554 1.00 70.11 C ATOM 1001 C PRO A 67 -1.947 -4.987 -2.616 1.00 62.20 C ATOM 1002 O PRO A 67 -1.498 -4.283 -3.525 1.00 61.23 O ATOM 1003 CB PRO A 67 -0.185 -6.748 -2.999 1.00 23.34 C ATOM 1004 CG PRO A 67 -0.277 -7.855 -3.995 1.00 53.50 C ATOM 1005 CD PRO A 67 -1.647 -7.761 -4.603 1.00 12.42 C ATOM 0 HA PRO A 67 -1.814 -6.776 -1.523 1.00 70.11 H new ATOM 0 HB2 PRO A 67 0.264 -5.859 -3.441 1.00 23.34 H new ATOM 0 HB3 PRO A 67 0.439 -7.033 -2.152 1.00 23.34 H new ATOM 0 HG2 PRO A 67 0.495 -7.757 -4.758 1.00 53.50 H new ATOM 0 HG3 PRO A 67 -0.130 -8.823 -3.516 1.00 53.50 H new ATOM 0 HD2 PRO A 67 -1.660 -7.103 -5.472 1.00 12.42 H new ATOM 0 HD3 PRO A 67 -2.011 -8.734 -4.934 1.00 12.42 H new ATOM 1013 N ARG A 68 -2.751 -4.523 -1.671 1.00 4.13 N ATOM 1014 CA ARG A 68 -3.173 -3.134 -1.639 1.00 62.00 C ATOM 1015 C ARG A 68 -1.982 -2.226 -1.352 1.00 73.25 C ATOM 1016 O ARG A 68 -1.292 -2.380 -0.343 1.00 21.23 O ATOM 1017 CB ARG A 68 -4.272 -2.941 -0.590 1.00 33.04 C ATOM 1018 CG ARG A 68 -4.829 -1.528 -0.527 1.00 11.43 C ATOM 1019 CD ARG A 68 -5.974 -1.420 0.472 1.00 31.01 C ATOM 1020 NE ARG A 68 -7.153 -2.196 0.072 1.00 4.14 N ATOM 1021 CZ ARG A 68 -8.391 -1.946 0.514 1.00 3.43 C ATOM 1022 NH1 ARG A 68 -8.613 -0.973 1.394 1.00 51.43 N ATOM 1023 NH2 ARG A 68 -9.415 -2.673 0.081 1.00 43.44 N ATOM 0 H ARG A 68 -3.125 -5.093 -0.913 1.00 4.13 H new ATOM 0 HA ARG A 68 -3.579 -2.865 -2.614 1.00 62.00 H new ATOM 0 HB2 ARG A 68 -5.088 -3.632 -0.802 1.00 33.04 H new ATOM 0 HB3 ARG A 68 -3.875 -3.208 0.390 1.00 33.04 H new ATOM 0 HG2 ARG A 68 -4.035 -0.836 -0.247 1.00 11.43 H new ATOM 0 HG3 ARG A 68 -5.179 -1.230 -1.515 1.00 11.43 H new ATOM 0 HD2 ARG A 68 -5.632 -1.764 1.448 1.00 31.01 H new ATOM 0 HD3 ARG A 68 -6.255 -0.373 0.584 1.00 31.01 H new ATOM 0 HE ARG A 68 -7.022 -2.970 -0.580 1.00 4.14 H new ATOM 0 HH11 ARG A 68 -7.836 -0.409 1.738 1.00 51.43 H new ATOM 0 HH12 ARG A 68 -9.561 -0.791 1.724 1.00 51.43 H new ATOM 0 HH21 ARG A 68 -9.259 -3.425 -0.591 1.00 43.44 H new ATOM 0 HH22 ARG A 68 -10.357 -2.480 0.420 1.00 43.44 H new ATOM 1037 N ARG A 69 -1.741 -1.295 -2.255 1.00 4.44 N ATOM 1038 CA ARG A 69 -0.630 -0.372 -2.123 1.00 62.24 C ATOM 1039 C ARG A 69 -1.137 1.039 -1.907 1.00 1.21 C ATOM 1040 O ARG A 69 -2.243 1.383 -2.330 1.00 73.03 O ATOM 1041 CB ARG A 69 0.264 -0.435 -3.363 1.00 12.12 C ATOM 1042 CG ARG A 69 -0.507 -0.466 -4.674 1.00 61.51 C ATOM 1043 CD ARG A 69 0.430 -0.593 -5.863 1.00 42.44 C ATOM 1044 NE ARG A 69 -0.263 -1.079 -7.054 1.00 13.32 N ATOM 1045 CZ ARG A 69 0.294 -1.150 -8.260 1.00 75.45 C ATOM 1046 NH1 ARG A 69 1.527 -0.690 -8.453 1.00 74.04 N ATOM 1047 NH2 ARG A 69 -0.392 -1.655 -9.277 1.00 62.21 N ATOM 0 H ARG A 69 -2.304 -1.157 -3.094 1.00 4.44 H new ATOM 0 HA ARG A 69 -0.039 -0.663 -1.254 1.00 62.24 H new ATOM 0 HB2 ARG A 69 0.930 0.428 -3.364 1.00 12.12 H new ATOM 0 HB3 ARG A 69 0.893 -1.323 -3.301 1.00 12.12 H new ATOM 0 HG2 ARG A 69 -1.205 -1.303 -4.668 1.00 61.51 H new ATOM 0 HG3 ARG A 69 -1.100 0.443 -4.771 1.00 61.51 H new ATOM 0 HD2 ARG A 69 0.880 0.377 -6.075 1.00 42.44 H new ATOM 0 HD3 ARG A 69 1.243 -1.274 -5.613 1.00 42.44 H new ATOM 0 HE ARG A 69 -1.232 -1.382 -6.955 1.00 13.32 H new ATOM 0 HH11 ARG A 69 2.047 -0.282 -7.676 1.00 74.04 H new ATOM 0 HH12 ARG A 69 1.953 -0.745 -9.378 1.00 74.04 H new ATOM 0 HH21 ARG A 69 -1.345 -1.988 -9.134 1.00 62.21 H new ATOM 0 HH22 ARG A 69 0.034 -1.710 -10.202 1.00 62.21 H new ATOM 1061 N VAL A 70 -0.334 1.838 -1.229 1.00 73.12 N ATOM 1062 CA VAL A 70 -0.707 3.202 -0.903 1.00 54.31 C ATOM 1063 C VAL A 70 0.185 4.182 -1.653 1.00 44.40 C ATOM 1064 O VAL A 70 1.406 4.184 -1.473 1.00 71.14 O ATOM 1065 CB VAL A 70 -0.587 3.470 0.615 1.00 44.42 C ATOM 1066 CG1 VAL A 70 -1.125 4.852 0.963 1.00 4.32 C ATOM 1067 CG2 VAL A 70 -1.306 2.392 1.417 1.00 74.21 C ATOM 0 H VAL A 70 0.588 1.563 -0.891 1.00 73.12 H new ATOM 0 HA VAL A 70 -1.746 3.341 -1.202 1.00 54.31 H new ATOM 0 HB VAL A 70 0.470 3.439 0.881 1.00 44.42 H new ATOM 0 HG11 VAL A 70 -1.031 5.020 2.036 1.00 4.32 H new ATOM 0 HG12 VAL A 70 -0.555 5.610 0.426 1.00 4.32 H new ATOM 0 HG13 VAL A 70 -2.175 4.917 0.676 1.00 4.32 H new ATOM 0 HG21 VAL A 70 -1.207 2.604 2.482 1.00 74.21 H new ATOM 0 HG22 VAL A 70 -2.362 2.380 1.146 1.00 74.21 H new ATOM 0 HG23 VAL A 70 -0.864 1.420 1.198 1.00 74.21 H new ATOM 1077 N LEU A 71 -0.416 4.985 -2.514 1.00 4.22 N ATOM 1078 CA LEU A 71 0.319 6.022 -3.224 1.00 1.34 C ATOM 1079 C LEU A 71 -0.054 7.392 -2.677 1.00 13.04 C ATOM 1080 O LEU A 71 -1.226 7.664 -2.405 1.00 71.15 O ATOM 1081 CB LEU A 71 0.048 5.972 -4.738 1.00 3.33 C ATOM 1082 CG LEU A 71 0.686 4.800 -5.500 1.00 14.32 C ATOM 1083 CD1 LEU A 71 -0.003 3.482 -5.176 1.00 61.24 C ATOM 1084 CD2 LEU A 71 0.652 5.062 -7.000 1.00 35.35 C ATOM 0 H LEU A 71 -1.410 4.940 -2.739 1.00 4.22 H new ATOM 0 HA LEU A 71 1.383 5.843 -3.067 1.00 1.34 H new ATOM 0 HB2 LEU A 71 -1.030 5.935 -4.893 1.00 3.33 H new ATOM 0 HB3 LEU A 71 0.402 6.903 -5.181 1.00 3.33 H new ATOM 0 HG LEU A 71 1.724 4.720 -5.178 1.00 14.32 H new ATOM 0 HD11 LEU A 71 0.474 2.675 -5.733 1.00 61.24 H new ATOM 0 HD12 LEU A 71 0.077 3.283 -4.107 1.00 61.24 H new ATOM 0 HD13 LEU A 71 -1.055 3.543 -5.456 1.00 61.24 H new ATOM 0 HD21 LEU A 71 1.107 4.223 -7.526 1.00 35.35 H new ATOM 0 HD22 LEU A 71 -0.382 5.177 -7.326 1.00 35.35 H new ATOM 0 HD23 LEU A 71 1.206 5.974 -7.223 1.00 35.35 H new ATOM 1096 N VAL A 72 0.946 8.243 -2.503 1.00 4.52 N ATOM 1097 CA VAL A 72 0.733 9.596 -2.005 1.00 61.11 C ATOM 1098 C VAL A 72 1.480 10.602 -2.870 1.00 10.21 C ATOM 1099 O VAL A 72 2.331 10.223 -3.676 1.00 52.44 O ATOM 1100 CB VAL A 72 1.183 9.750 -0.534 1.00 13.31 C ATOM 1101 CG1 VAL A 72 0.236 9.007 0.400 1.00 11.31 C ATOM 1102 CG2 VAL A 72 2.609 9.255 -0.353 1.00 2.53 C ATOM 0 H VAL A 72 1.921 8.019 -2.701 1.00 4.52 H new ATOM 0 HA VAL A 72 -0.339 9.790 -2.053 1.00 61.11 H new ATOM 0 HB VAL A 72 1.154 10.809 -0.279 1.00 13.31 H new ATOM 0 HG11 VAL A 72 0.571 9.129 1.430 1.00 11.31 H new ATOM 0 HG12 VAL A 72 -0.770 9.412 0.296 1.00 11.31 H new ATOM 0 HG13 VAL A 72 0.229 7.948 0.143 1.00 11.31 H new ATOM 0 HG21 VAL A 72 2.905 9.373 0.689 1.00 2.53 H new ATOM 0 HG22 VAL A 72 2.667 8.202 -0.630 1.00 2.53 H new ATOM 0 HG23 VAL A 72 3.279 9.835 -0.988 1.00 2.53 H new ATOM 1112 N HIS A 73 1.151 11.876 -2.711 1.00 21.00 N ATOM 1113 CA HIS A 73 1.796 12.935 -3.481 1.00 11.55 C ATOM 1114 C HIS A 73 3.188 13.213 -2.939 1.00 3.53 C ATOM 1115 O HIS A 73 3.474 12.926 -1.777 1.00 73.11 O ATOM 1116 CB HIS A 73 0.972 14.227 -3.435 1.00 5.34 C ATOM 1117 CG HIS A 73 -0.274 14.198 -4.266 1.00 54.32 C ATOM 1118 ND1 HIS A 73 -0.527 15.104 -5.271 1.00 54.01 N ATOM 1119 CD2 HIS A 73 -1.348 13.378 -4.225 1.00 54.53 C ATOM 1120 CE1 HIS A 73 -1.701 14.844 -5.811 1.00 74.01 C ATOM 1121 NE2 HIS A 73 -2.223 13.799 -5.195 1.00 41.33 N ATOM 0 H HIS A 73 0.441 12.204 -2.056 1.00 21.00 H new ATOM 0 HA HIS A 73 1.868 12.596 -4.514 1.00 11.55 H new ATOM 0 HB2 HIS A 73 0.699 14.432 -2.400 1.00 5.34 H new ATOM 0 HB3 HIS A 73 1.598 15.054 -3.770 1.00 5.34 H new ATOM 0 HD2 HIS A 73 -1.491 12.545 -3.553 1.00 54.53 H new ATOM 0 HE1 HIS A 73 -2.159 15.393 -6.621 1.00 74.01 H new ATOM 0 HE2 HIS A 73 -3.127 13.375 -5.405 1.00 41.33 H new ATOM 1130 N GLU A 74 4.052 13.770 -3.787 1.00 24.42 N ATOM 1131 CA GLU A 74 5.387 14.193 -3.361 1.00 21.40 C ATOM 1132 C GLU A 74 5.299 15.246 -2.256 1.00 70.41 C ATOM 1133 O GLU A 74 6.251 15.442 -1.502 1.00 22.23 O ATOM 1134 CB GLU A 74 6.200 14.753 -4.538 1.00 45.03 C ATOM 1135 CG GLU A 74 6.621 13.711 -5.570 1.00 11.24 C ATOM 1136 CD GLU A 74 5.524 13.356 -6.554 1.00 73.14 C ATOM 1137 OE1 GLU A 74 4.397 13.865 -6.402 1.00 1.33 O ATOM 1138 OE2 GLU A 74 5.799 12.580 -7.494 1.00 73.45 O ATOM 0 H GLU A 74 3.852 13.939 -4.773 1.00 24.42 H new ATOM 0 HA GLU A 74 5.896 13.310 -2.975 1.00 21.40 H new ATOM 0 HB2 GLU A 74 5.610 15.522 -5.037 1.00 45.03 H new ATOM 0 HB3 GLU A 74 7.093 15.240 -4.147 1.00 45.03 H new ATOM 0 HG2 GLU A 74 7.485 14.085 -6.120 1.00 11.24 H new ATOM 0 HG3 GLU A 74 6.940 12.807 -5.052 1.00 11.24 H new ATOM 1145 N ASP A 75 4.151 15.918 -2.184 1.00 74.40 N ATOM 1146 CA ASP A 75 3.872 16.898 -1.136 1.00 63.23 C ATOM 1147 C ASP A 75 4.121 16.300 0.241 1.00 3.23 C ATOM 1148 O ASP A 75 5.105 16.618 0.907 1.00 62.51 O ATOM 1149 CB ASP A 75 2.412 17.370 -1.218 1.00 60.45 C ATOM 1150 CG ASP A 75 2.057 18.007 -2.547 1.00 30.34 C ATOM 1151 OD1 ASP A 75 2.188 17.329 -3.587 1.00 52.42 O ATOM 1152 OD2 ASP A 75 1.624 19.182 -2.554 1.00 24.10 O ATOM 0 H ASP A 75 3.388 15.798 -2.851 1.00 74.40 H new ATOM 0 HA ASP A 75 4.540 17.746 -1.287 1.00 63.23 H new ATOM 0 HB2 ASP A 75 1.753 16.519 -1.044 1.00 60.45 H new ATOM 0 HB3 ASP A 75 2.225 18.087 -0.419 1.00 60.45 H new ATOM 1157 N ASP A 76 3.240 15.393 0.641 1.00 2.13 N ATOM 1158 CA ASP A 76 3.319 14.773 1.957 1.00 64.33 C ATOM 1159 C ASP A 76 4.139 13.495 1.899 1.00 0.30 C ATOM 1160 O ASP A 76 4.066 12.661 2.799 1.00 52.41 O ATOM 1161 CB ASP A 76 1.918 14.460 2.498 1.00 33.42 C ATOM 1162 CG ASP A 76 1.075 15.701 2.703 1.00 44.31 C ATOM 1163 OD1 ASP A 76 1.405 16.511 3.593 1.00 2.03 O ATOM 1164 OD2 ASP A 76 0.078 15.872 1.971 1.00 12.12 O ATOM 0 H ASP A 76 2.459 15.069 0.070 1.00 2.13 H new ATOM 0 HA ASP A 76 3.807 15.479 2.629 1.00 64.33 H new ATOM 0 HB2 ASP A 76 1.408 13.791 1.805 1.00 33.42 H new ATOM 0 HB3 ASP A 76 2.010 13.929 3.445 1.00 33.42 H new ATOM 1169 N LEU A 77 4.927 13.348 0.839 1.00 53.50 N ATOM 1170 CA LEU A 77 5.780 12.179 0.663 1.00 3.12 C ATOM 1171 C LEU A 77 6.708 12.038 1.866 1.00 70.51 C ATOM 1172 O LEU A 77 6.780 10.981 2.497 1.00 32.24 O ATOM 1173 CB LEU A 77 6.600 12.322 -0.630 1.00 51.12 C ATOM 1174 CG LEU A 77 6.956 11.017 -1.357 1.00 22.14 C ATOM 1175 CD1 LEU A 77 7.847 10.129 -0.507 1.00 4.04 C ATOM 1176 CD2 LEU A 77 5.694 10.274 -1.760 1.00 31.51 C ATOM 0 H LEU A 77 4.992 14.030 0.083 1.00 53.50 H new ATOM 0 HA LEU A 77 5.161 11.285 0.587 1.00 3.12 H new ATOM 0 HB2 LEU A 77 6.044 12.957 -1.319 1.00 51.12 H new ATOM 0 HB3 LEU A 77 7.526 12.845 -0.392 1.00 51.12 H new ATOM 0 HG LEU A 77 7.513 11.280 -2.256 1.00 22.14 H new ATOM 0 HD11 LEU A 77 8.078 9.215 -1.054 1.00 4.04 H new ATOM 0 HD12 LEU A 77 8.772 10.657 -0.275 1.00 4.04 H new ATOM 0 HD13 LEU A 77 7.331 9.877 0.420 1.00 4.04 H new ATOM 0 HD21 LEU A 77 5.963 9.351 -2.274 1.00 31.51 H new ATOM 0 HD22 LEU A 77 5.112 10.037 -0.870 1.00 31.51 H new ATOM 0 HD23 LEU A 77 5.100 10.900 -2.426 1.00 31.51 H new ATOM 1188 N ALA A 78 7.389 13.127 2.195 1.00 62.13 N ATOM 1189 CA ALA A 78 8.307 13.147 3.324 1.00 1.21 C ATOM 1190 C ALA A 78 7.552 13.034 4.644 1.00 12.40 C ATOM 1191 O ALA A 78 8.049 12.446 5.605 1.00 24.32 O ATOM 1192 CB ALA A 78 9.147 14.416 3.300 1.00 12.24 C ATOM 0 H ALA A 78 7.322 14.012 1.693 1.00 62.13 H new ATOM 0 HA ALA A 78 8.970 12.286 3.238 1.00 1.21 H new ATOM 0 HB1 ALA A 78 9.829 14.417 4.150 1.00 12.24 H new ATOM 0 HB2 ALA A 78 9.721 14.455 2.374 1.00 12.24 H new ATOM 0 HB3 ALA A 78 8.493 15.286 3.358 1.00 12.24 H new ATOM 1198 N GLY A 79 6.343 13.586 4.675 1.00 74.43 N ATOM 1199 CA GLY A 79 5.541 13.564 5.883 1.00 31.22 C ATOM 1200 C GLY A 79 5.011 12.180 6.197 1.00 31.14 C ATOM 1201 O GLY A 79 5.084 11.724 7.338 1.00 5.20 O ATOM 0 H GLY A 79 5.903 14.050 3.880 1.00 74.43 H new ATOM 0 HA2 GLY A 79 6.141 13.920 6.721 1.00 31.22 H new ATOM 0 HA3 GLY A 79 4.705 14.255 5.774 1.00 31.22 H new ATOM 1205 N ALA A 80 4.480 11.508 5.184 1.00 33.14 N ATOM 1206 CA ALA A 80 3.944 10.165 5.351 1.00 51.30 C ATOM 1207 C ALA A 80 5.053 9.189 5.729 1.00 40.40 C ATOM 1208 O ALA A 80 4.860 8.321 6.578 1.00 42.40 O ATOM 1209 CB ALA A 80 3.230 9.707 4.088 1.00 54.24 C ATOM 0 H ALA A 80 4.409 11.874 4.234 1.00 33.14 H new ATOM 0 HA ALA A 80 3.216 10.186 6.162 1.00 51.30 H new ATOM 0 HB1 ALA A 80 2.838 8.701 4.236 1.00 54.24 H new ATOM 0 HB2 ALA A 80 2.408 10.388 3.867 1.00 54.24 H new ATOM 0 HB3 ALA A 80 3.932 9.704 3.254 1.00 54.24 H new ATOM 1215 N ARG A 81 6.221 9.344 5.103 1.00 15.42 N ATOM 1216 CA ARG A 81 7.386 8.536 5.461 1.00 34.13 C ATOM 1217 C ARG A 81 7.738 8.745 6.927 1.00 33.04 C ATOM 1218 O ARG A 81 7.987 7.791 7.656 1.00 12.00 O ATOM 1219 CB ARG A 81 8.592 8.886 4.582 1.00 23.34 C ATOM 1220 CG ARG A 81 8.446 8.442 3.136 1.00 24.03 C ATOM 1221 CD ARG A 81 9.650 8.849 2.296 1.00 21.55 C ATOM 1222 NE ARG A 81 10.884 8.198 2.735 1.00 62.51 N ATOM 1223 CZ ARG A 81 12.007 8.162 2.016 1.00 12.23 C ATOM 1224 NH1 ARG A 81 12.072 8.767 0.837 1.00 12.24 N ATOM 1225 NH2 ARG A 81 13.077 7.536 2.483 1.00 54.11 N ATOM 0 H ARG A 81 6.384 10.015 4.353 1.00 15.42 H new ATOM 0 HA ARG A 81 7.134 7.489 5.296 1.00 34.13 H new ATOM 0 HB2 ARG A 81 8.747 9.965 4.607 1.00 23.34 H new ATOM 0 HB3 ARG A 81 9.484 8.425 5.006 1.00 23.34 H new ATOM 0 HG2 ARG A 81 8.326 7.359 3.098 1.00 24.03 H new ATOM 0 HG3 ARG A 81 7.542 8.878 2.711 1.00 24.03 H new ATOM 0 HD2 ARG A 81 9.462 8.598 1.252 1.00 21.55 H new ATOM 0 HD3 ARG A 81 9.776 9.931 2.347 1.00 21.55 H new ATOM 0 HE ARG A 81 10.886 7.743 3.648 1.00 62.51 H new ATOM 0 HH11 ARG A 81 11.259 9.265 0.474 1.00 12.24 H new ATOM 0 HH12 ARG A 81 12.935 8.734 0.294 1.00 12.24 H new ATOM 0 HH21 ARG A 81 13.044 7.080 3.395 1.00 54.11 H new ATOM 0 HH22 ARG A 81 13.934 7.510 1.931 1.00 54.11 H new ATOM 1239 N ARG A 82 7.736 10.006 7.348 1.00 42.21 N ATOM 1240 CA ARG A 82 8.005 10.362 8.737 1.00 62.51 C ATOM 1241 C ARG A 82 7.005 9.685 9.666 1.00 0.11 C ATOM 1242 O ARG A 82 7.385 9.032 10.634 1.00 43.45 O ATOM 1243 CB ARG A 82 7.918 11.881 8.909 1.00 61.02 C ATOM 1244 CG ARG A 82 8.175 12.359 10.329 1.00 33.40 C ATOM 1245 CD ARG A 82 9.620 12.143 10.737 1.00 44.13 C ATOM 1246 NE ARG A 82 10.236 13.387 11.180 1.00 1.31 N ATOM 1247 CZ ARG A 82 11.342 13.897 10.648 1.00 13.12 C ATOM 1248 NH1 ARG A 82 11.966 13.266 9.659 1.00 72.05 N ATOM 1249 NH2 ARG A 82 11.827 15.041 11.107 1.00 74.10 N ATOM 0 H ARG A 82 7.549 10.804 6.741 1.00 42.21 H new ATOM 0 HA ARG A 82 9.008 10.023 8.994 1.00 62.51 H new ATOM 0 HB2 ARG A 82 8.639 12.354 8.242 1.00 61.02 H new ATOM 0 HB3 ARG A 82 6.928 12.215 8.598 1.00 61.02 H new ATOM 0 HG2 ARG A 82 7.928 13.418 10.408 1.00 33.40 H new ATOM 0 HG3 ARG A 82 7.518 11.827 11.017 1.00 33.40 H new ATOM 0 HD2 ARG A 82 9.668 11.405 11.538 1.00 44.13 H new ATOM 0 HD3 ARG A 82 10.181 11.736 9.896 1.00 44.13 H new ATOM 0 HE ARG A 82 9.792 13.897 11.944 1.00 1.31 H new ATOM 0 HH11 ARG A 82 11.597 12.384 9.303 1.00 72.05 H new ATOM 0 HH12 ARG A 82 12.814 13.663 9.256 1.00 72.05 H new ATOM 0 HH21 ARG A 82 11.352 15.528 11.867 1.00 74.10 H new ATOM 0 HH22 ARG A 82 12.676 15.435 10.701 1.00 74.10 H new ATOM 1263 N LEU A 83 5.725 9.837 9.346 1.00 25.53 N ATOM 1264 CA LEU A 83 4.647 9.289 10.158 1.00 51.44 C ATOM 1265 C LEU A 83 4.774 7.772 10.297 1.00 71.23 C ATOM 1266 O LEU A 83 4.784 7.239 11.411 1.00 60.24 O ATOM 1267 CB LEU A 83 3.301 9.655 9.526 1.00 15.44 C ATOM 1268 CG LEU A 83 2.063 9.183 10.285 1.00 62.42 C ATOM 1269 CD1 LEU A 83 2.031 9.777 11.683 1.00 45.12 C ATOM 1270 CD2 LEU A 83 0.805 9.555 9.518 1.00 64.11 C ATOM 0 H LEU A 83 5.407 10.342 8.519 1.00 25.53 H new ATOM 0 HA LEU A 83 4.710 9.718 11.158 1.00 51.44 H new ATOM 0 HB2 LEU A 83 3.251 10.739 9.424 1.00 15.44 H new ATOM 0 HB3 LEU A 83 3.268 9.239 8.519 1.00 15.44 H new ATOM 0 HG LEU A 83 2.107 8.098 10.379 1.00 62.42 H new ATOM 0 HD11 LEU A 83 1.141 9.428 12.206 1.00 45.12 H new ATOM 0 HD12 LEU A 83 2.920 9.465 12.231 1.00 45.12 H new ATOM 0 HD13 LEU A 83 2.009 10.865 11.616 1.00 45.12 H new ATOM 0 HD21 LEU A 83 -0.071 9.213 10.069 1.00 64.11 H new ATOM 0 HD22 LEU A 83 0.759 10.637 9.398 1.00 64.11 H new ATOM 0 HD23 LEU A 83 0.824 9.081 8.536 1.00 64.11 H new ATOM 1282 N LEU A 84 4.886 7.088 9.168 1.00 72.32 N ATOM 1283 CA LEU A 84 4.960 5.632 9.154 1.00 64.40 C ATOM 1284 C LEU A 84 6.247 5.119 9.801 1.00 13.23 C ATOM 1285 O LEU A 84 6.275 4.016 10.337 1.00 62.01 O ATOM 1286 CB LEU A 84 4.851 5.107 7.720 1.00 25.01 C ATOM 1287 CG LEU A 84 3.548 5.456 7.000 1.00 51.11 C ATOM 1288 CD1 LEU A 84 3.541 4.874 5.597 1.00 23.43 C ATOM 1289 CD2 LEU A 84 2.347 4.960 7.788 1.00 65.23 C ATOM 0 H LEU A 84 4.928 7.519 8.245 1.00 72.32 H new ATOM 0 HA LEU A 84 4.121 5.259 9.741 1.00 64.40 H new ATOM 0 HB2 LEU A 84 5.685 5.502 7.140 1.00 25.01 H new ATOM 0 HB3 LEU A 84 4.960 4.023 7.737 1.00 25.01 H new ATOM 0 HG LEU A 84 3.482 6.541 6.924 1.00 51.11 H new ATOM 0 HD11 LEU A 84 2.606 5.133 5.100 1.00 23.43 H new ATOM 0 HD12 LEU A 84 4.378 5.281 5.030 1.00 23.43 H new ATOM 0 HD13 LEU A 84 3.634 3.789 5.653 1.00 23.43 H new ATOM 0 HD21 LEU A 84 1.431 5.219 7.257 1.00 65.23 H new ATOM 0 HD22 LEU A 84 2.407 3.877 7.900 1.00 65.23 H new ATOM 0 HD23 LEU A 84 2.340 5.427 8.773 1.00 65.23 H new ATOM 1301 N THR A 85 7.307 5.907 9.751 1.00 21.11 N ATOM 1302 CA THR A 85 8.573 5.500 10.344 1.00 32.32 C ATOM 1303 C THR A 85 8.592 5.777 11.847 1.00 62.35 C ATOM 1304 O THR A 85 8.890 4.891 12.648 1.00 64.45 O ATOM 1305 CB THR A 85 9.760 6.223 9.670 1.00 32.22 C ATOM 1306 OG1 THR A 85 9.752 5.952 8.260 1.00 61.32 O ATOM 1307 CG2 THR A 85 11.091 5.783 10.270 1.00 13.21 C ATOM 0 H THR A 85 7.319 6.826 9.310 1.00 21.11 H new ATOM 0 HA THR A 85 8.675 4.427 10.183 1.00 32.32 H new ATOM 0 HB THR A 85 9.648 7.293 9.842 1.00 32.22 H new ATOM 0 HG1 THR A 85 9.124 6.558 7.814 1.00 61.32 H new ATOM 0 HG21 THR A 85 11.906 6.310 9.774 1.00 13.21 H new ATOM 0 HG22 THR A 85 11.104 6.015 11.335 1.00 13.21 H new ATOM 0 HG23 THR A 85 11.216 4.709 10.131 1.00 13.21 H new ATOM 1315 N ASP A 86 8.234 6.998 12.221 1.00 23.22 N ATOM 1316 CA ASP A 86 8.341 7.448 13.603 1.00 3.22 C ATOM 1317 C ASP A 86 7.284 6.817 14.501 1.00 51.43 C ATOM 1318 O ASP A 86 7.590 6.371 15.607 1.00 4.20 O ATOM 1319 CB ASP A 86 8.226 8.974 13.662 1.00 63.53 C ATOM 1320 CG ASP A 86 8.244 9.511 15.075 1.00 1.25 C ATOM 1321 OD1 ASP A 86 9.226 9.258 15.803 1.00 75.31 O ATOM 1322 OD2 ASP A 86 7.290 10.217 15.460 1.00 25.11 O ATOM 0 H ASP A 86 7.864 7.700 11.581 1.00 23.22 H new ATOM 0 HA ASP A 86 9.316 7.131 13.974 1.00 3.22 H new ATOM 0 HB2 ASP A 86 9.048 9.417 13.100 1.00 63.53 H new ATOM 0 HB3 ASP A 86 7.302 9.283 13.173 1.00 63.53 H new ATOM 1327 N ALA A 87 6.046 6.763 14.030 1.00 72.22 N ATOM 1328 CA ALA A 87 4.947 6.316 14.880 1.00 63.43 C ATOM 1329 C ALA A 87 4.212 5.107 14.310 1.00 73.21 C ATOM 1330 O ALA A 87 3.190 4.682 14.853 1.00 51.51 O ATOM 1331 CB ALA A 87 3.974 7.460 15.116 1.00 2.32 C ATOM 0 H ALA A 87 5.778 7.018 13.080 1.00 72.22 H new ATOM 0 HA ALA A 87 5.384 6.001 15.828 1.00 63.43 H new ATOM 0 HB1 ALA A 87 3.157 7.118 15.751 1.00 2.32 H new ATOM 0 HB2 ALA A 87 4.493 8.284 15.605 1.00 2.32 H new ATOM 0 HB3 ALA A 87 3.573 7.800 14.161 1.00 2.32 H new ATOM 1337 N GLY A 88 4.736 4.540 13.235 1.00 25.14 N ATOM 1338 CA GLY A 88 4.077 3.411 12.623 1.00 71.31 C ATOM 1339 C GLY A 88 4.864 2.131 12.785 1.00 4.11 C ATOM 1340 O GLY A 88 4.522 1.284 13.606 1.00 51.35 O ATOM 0 H GLY A 88 5.598 4.839 12.780 1.00 25.14 H new ATOM 0 HA2 GLY A 88 3.089 3.286 13.066 1.00 71.31 H new ATOM 0 HA3 GLY A 88 3.928 3.611 11.562 1.00 71.31 H new ATOM 1344 N LEU A 89 5.934 2.008 12.016 1.00 43.52 N ATOM 1345 CA LEU A 89 6.693 0.767 11.944 1.00 1.03 C ATOM 1346 C LEU A 89 7.974 0.949 11.131 1.00 11.01 C ATOM 1347 O LEU A 89 9.066 0.633 11.605 1.00 52.24 O ATOM 1348 CB LEU A 89 5.837 -0.343 11.308 1.00 11.42 C ATOM 1349 CG LEU A 89 5.192 0.024 9.966 1.00 3.03 C ATOM 1350 CD1 LEU A 89 5.321 -1.126 8.977 1.00 43.32 C ATOM 1351 CD2 LEU A 89 3.726 0.395 10.151 1.00 74.30 C ATOM 0 H LEU A 89 6.299 2.757 11.429 1.00 43.52 H new ATOM 0 HA LEU A 89 6.964 0.483 12.961 1.00 1.03 H new ATOM 0 HB2 LEU A 89 6.461 -1.225 11.165 1.00 11.42 H new ATOM 0 HB3 LEU A 89 5.049 -0.620 12.009 1.00 11.42 H new ATOM 0 HG LEU A 89 5.719 0.890 9.566 1.00 3.03 H new ATOM 0 HD11 LEU A 89 4.857 -0.846 8.031 1.00 43.32 H new ATOM 0 HD12 LEU A 89 6.375 -1.348 8.813 1.00 43.32 H new ATOM 0 HD13 LEU A 89 4.823 -2.009 9.378 1.00 43.32 H new ATOM 0 HD21 LEU A 89 3.291 0.651 9.185 1.00 74.30 H new ATOM 0 HD22 LEU A 89 3.188 -0.451 10.579 1.00 74.30 H new ATOM 0 HD23 LEU A 89 3.649 1.251 10.822 1.00 74.30 H new ATOM 1363 N ALA A 90 7.824 1.492 9.918 1.00 31.34 N ATOM 1364 CA ALA A 90 8.917 1.589 8.947 1.00 51.11 C ATOM 1365 C ALA A 90 9.465 0.208 8.612 1.00 54.43 C ATOM 1366 O ALA A 90 10.453 -0.236 9.190 1.00 45.44 O ATOM 1367 CB ALA A 90 10.032 2.497 9.452 1.00 40.12 C ATOM 0 H ALA A 90 6.941 1.876 9.583 1.00 31.34 H new ATOM 0 HA ALA A 90 8.511 2.032 8.038 1.00 51.11 H new ATOM 0 HB1 ALA A 90 10.826 2.546 8.707 1.00 40.12 H new ATOM 0 HB2 ALA A 90 9.636 3.497 9.627 1.00 40.12 H new ATOM 0 HB3 ALA A 90 10.433 2.098 10.384 1.00 40.12 H new ATOM 1373 N HIS A 91 8.804 -0.483 7.688 1.00 52.34 N ATOM 1374 CA HIS A 91 9.192 -1.849 7.349 1.00 40.54 C ATOM 1375 C HIS A 91 8.671 -2.233 5.968 1.00 54.43 C ATOM 1376 O HIS A 91 9.390 -2.816 5.159 1.00 74.11 O ATOM 1377 CB HIS A 91 8.653 -2.821 8.404 1.00 54.15 C ATOM 1378 CG HIS A 91 9.277 -4.183 8.361 1.00 73.23 C ATOM 1379 ND1 HIS A 91 10.505 -4.459 8.916 1.00 44.40 N ATOM 1380 CD2 HIS A 91 8.833 -5.351 7.841 1.00 3.13 C ATOM 1381 CE1 HIS A 91 10.790 -5.732 8.741 1.00 72.43 C ATOM 1382 NE2 HIS A 91 9.793 -6.299 8.092 1.00 51.15 N ATOM 0 H HIS A 91 8.005 -0.125 7.165 1.00 52.34 H new ATOM 0 HA HIS A 91 10.280 -1.905 7.332 1.00 40.54 H new ATOM 0 HB2 HIS A 91 8.813 -2.391 9.393 1.00 54.15 H new ATOM 0 HB3 HIS A 91 7.576 -2.923 8.271 1.00 54.15 H new ATOM 0 HD2 HIS A 91 7.897 -5.508 7.325 1.00 3.13 H new ATOM 0 HE1 HIS A 91 11.690 -6.228 9.073 1.00 72.43 H new ATOM 0 HE2 HIS A 91 9.743 -7.281 7.821 1.00 51.15 H new ATOM 1391 N GLU A 92 7.415 -1.898 5.705 1.00 64.34 N ATOM 1392 CA GLU A 92 6.790 -2.208 4.421 1.00 54.21 C ATOM 1393 C GLU A 92 7.003 -1.069 3.424 1.00 24.42 C ATOM 1394 O GLU A 92 6.396 -1.044 2.355 1.00 43.13 O ATOM 1395 CB GLU A 92 5.291 -2.446 4.610 1.00 71.12 C ATOM 1396 CG GLU A 92 4.964 -3.570 5.575 1.00 32.14 C ATOM 1397 CD GLU A 92 5.340 -4.941 5.050 1.00 44.24 C ATOM 1398 OE1 GLU A 92 6.492 -5.374 5.271 1.00 51.33 O ATOM 1399 OE2 GLU A 92 4.477 -5.605 4.440 1.00 2.51 O ATOM 0 H GLU A 92 6.806 -1.411 6.363 1.00 64.34 H new ATOM 0 HA GLU A 92 7.255 -3.111 4.027 1.00 54.21 H new ATOM 0 HB2 GLU A 92 4.829 -1.526 4.969 1.00 71.12 H new ATOM 0 HB3 GLU A 92 4.844 -2.670 3.642 1.00 71.12 H new ATOM 0 HG2 GLU A 92 5.485 -3.394 6.516 1.00 32.14 H new ATOM 0 HG3 GLU A 92 3.896 -3.553 5.793 1.00 32.14 H new ATOM 1406 N LEU A 93 7.878 -0.134 3.782 1.00 30.22 N ATOM 1407 CA LEU A 93 8.117 1.046 2.961 1.00 4.34 C ATOM 1408 C LEU A 93 8.869 0.680 1.690 1.00 15.54 C ATOM 1409 O LEU A 93 9.858 -0.055 1.731 1.00 23.11 O ATOM 1410 CB LEU A 93 8.900 2.100 3.749 1.00 13.30 C ATOM 1411 CG LEU A 93 8.176 2.671 4.969 1.00 12.43 C ATOM 1412 CD1 LEU A 93 9.054 3.687 5.681 1.00 51.22 C ATOM 1413 CD2 LEU A 93 6.859 3.309 4.557 1.00 63.11 C ATOM 0 H LEU A 93 8.433 -0.172 4.637 1.00 30.22 H new ATOM 0 HA LEU A 93 7.149 1.462 2.682 1.00 4.34 H new ATOM 0 HB2 LEU A 93 9.841 1.660 4.078 1.00 13.30 H new ATOM 0 HB3 LEU A 93 9.150 2.921 3.077 1.00 13.30 H new ATOM 0 HG LEU A 93 7.964 1.852 5.657 1.00 12.43 H new ATOM 0 HD11 LEU A 93 8.523 4.083 6.547 1.00 51.22 H new ATOM 0 HD12 LEU A 93 9.975 3.205 6.009 1.00 51.22 H new ATOM 0 HD13 LEU A 93 9.294 4.502 4.998 1.00 51.22 H new ATOM 0 HD21 LEU A 93 6.358 3.710 5.438 1.00 63.11 H new ATOM 0 HD22 LEU A 93 7.051 4.116 3.850 1.00 63.11 H new ATOM 0 HD23 LEU A 93 6.223 2.559 4.087 1.00 63.11 H new ATOM 1425 N ARG A 94 8.385 1.189 0.567 1.00 10.22 N ATOM 1426 CA ARG A 94 9.016 0.949 -0.721 1.00 23.10 C ATOM 1427 C ARG A 94 9.520 2.256 -1.326 1.00 31.34 C ATOM 1428 O ARG A 94 10.719 2.408 -1.560 1.00 3.13 O ATOM 1429 CB ARG A 94 8.031 0.255 -1.674 1.00 4.21 C ATOM 1430 CG ARG A 94 8.489 0.217 -3.130 1.00 73.51 C ATOM 1431 CD ARG A 94 9.836 -0.471 -3.288 1.00 31.20 C ATOM 1432 NE ARG A 94 10.699 0.250 -4.224 1.00 40.33 N ATOM 1433 CZ ARG A 94 12.014 0.055 -4.334 1.00 54.53 C ATOM 1434 NH1 ARG A 94 12.609 -0.908 -3.637 1.00 40.44 N ATOM 1435 NH2 ARG A 94 12.728 0.821 -5.152 1.00 53.33 N ATOM 0 H ARG A 94 7.551 1.775 0.523 1.00 10.22 H new ATOM 0 HA ARG A 94 9.873 0.293 -0.570 1.00 23.10 H new ATOM 0 HB2 ARG A 94 7.868 -0.766 -1.329 1.00 4.21 H new ATOM 0 HB3 ARG A 94 7.070 0.766 -1.621 1.00 4.21 H new ATOM 0 HG2 ARG A 94 7.744 -0.304 -3.731 1.00 73.51 H new ATOM 0 HG3 ARG A 94 8.555 1.234 -3.516 1.00 73.51 H new ATOM 0 HD2 ARG A 94 10.327 -0.539 -2.317 1.00 31.20 H new ATOM 0 HD3 ARG A 94 9.686 -1.491 -3.642 1.00 31.20 H new ATOM 0 HE ARG A 94 10.267 0.946 -4.831 1.00 40.33 H new ATOM 0 HH11 ARG A 94 12.060 -1.501 -3.015 1.00 40.44 H new ATOM 0 HH12 ARG A 94 13.615 -1.054 -3.724 1.00 40.44 H new ATOM 0 HH21 ARG A 94 12.270 1.555 -5.693 1.00 53.33 H new ATOM 0 HH22 ARG A 94 13.734 0.675 -5.239 1.00 53.33 H new