USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 41 THR OG1 : rot 180:sc= -0.0693 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 0 SER N :NH3+ -115:sc= -0.964 (180deg=-2.48!) USER MOD Set 2.2: A 0 SER OG : rot 10:sc= 0.354 USER MOD Set 2.3: A 53 GLN : amide:sc= 0.33 K(o=-0.28,f=-0.8) USER MOD Single : A 1 MET CE :methyl -101:sc=-0.00933 (180deg=-0.202) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 99:sc= 1.11 USER MOD Single : A 19 CYS SG : rot 88:sc= 0.243 USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= -0.128 (180deg=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc=-0.00345 (180deg=-0.131) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.352 (180deg=-1.71!) USER MOD Single : A 34 CYS SG : rot -57:sc= -6.46! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -4.75! (180deg=-9.31!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -134:sc= 1.01 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 70 ASN : amide:sc= -5.74! C(o=-5.7!,f=-19!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 96:sc= -3.84 USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= -0.355 (180deg=-1.31!) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.0873 (180deg=-0.678) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 149:sc= 0.778 (180deg=-0.138!) USER MOD Single : A 106 MET CE :methyl -177:sc= -7.8! (180deg=-7.83!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 2.761 -1.041 3.317 1.00 33.41 N ATOM 2 CA SER A 0 2.746 -0.325 2.053 1.00 14.21 C ATOM 3 C SER A 0 3.507 -1.121 0.991 1.00 11.22 C ATOM 4 O SER A 0 4.725 -1.000 0.874 1.00 3.50 O ATOM 5 CB SER A 0 3.351 1.072 2.205 1.00 41.13 C ATOM 6 OG SER A 0 2.477 1.960 2.896 1.00 4.44 O ATOM 0 H1 SER A 0 1.792 -1.324 3.567 1.00 33.41 H new ATOM 0 H2 SER A 0 3.358 -1.888 3.229 1.00 33.41 H new ATOM 0 H3 SER A 0 3.144 -0.424 4.061 1.00 33.41 H new ATOM 0 HA SER A 0 1.709 -0.210 1.737 1.00 14.21 H new ATOM 0 HB2 SER A 0 4.296 1.001 2.744 1.00 41.13 H new ATOM 0 HB3 SER A 0 3.576 1.479 1.219 1.00 41.13 H new ATOM 0 HG SER A 0 1.728 1.454 3.273 1.00 4.44 H new ATOM 12 N MET A 1 2.757 -1.918 0.244 1.00 12.33 N ATOM 13 CA MET A 1 3.346 -2.734 -0.804 1.00 54.51 C ATOM 14 C MET A 1 4.693 -3.307 -0.361 1.00 30.20 C ATOM 15 O MET A 1 5.582 -3.520 -1.184 1.00 0.10 O ATOM 16 CB MET A 1 3.541 -1.885 -2.062 1.00 73.34 C ATOM 17 CG MET A 1 4.432 -0.675 -1.775 1.00 61.42 C ATOM 18 SD MET A 1 4.835 0.161 -3.299 1.00 44.34 S ATOM 19 CE MET A 1 6.333 -0.703 -3.741 1.00 24.24 C ATOM 0 H MET A 1 1.747 -2.016 0.344 1.00 12.33 H new ATOM 0 HA MET A 1 2.672 -3.564 -1.015 1.00 54.51 H new ATOM 0 HB2 MET A 1 3.989 -2.492 -2.849 1.00 73.34 H new ATOM 0 HB3 MET A 1 2.572 -1.548 -2.431 1.00 73.34 H new ATOM 0 HG2 MET A 1 3.922 0.011 -1.098 1.00 61.42 H new ATOM 0 HG3 MET A 1 5.345 -0.996 -1.274 1.00 61.42 H new ATOM 0 HE1 MET A 1 7.197 -0.092 -3.478 1.00 24.24 H new ATOM 0 HE2 MET A 1 6.380 -1.649 -3.202 1.00 24.24 H new ATOM 0 HE3 MET A 1 6.339 -0.896 -4.814 1.00 24.24 H new ATOM 29 N ALA A 2 4.802 -3.541 0.939 1.00 73.45 N ATOM 30 CA ALA A 2 6.026 -4.086 1.501 1.00 73.30 C ATOM 31 C ALA A 2 6.270 -5.482 0.924 1.00 34.20 C ATOM 32 O ALA A 2 7.370 -6.020 1.035 1.00 22.24 O ATOM 33 CB ALA A 2 5.926 -4.096 3.028 1.00 42.33 C ATOM 0 H ALA A 2 4.063 -3.363 1.619 1.00 73.45 H new ATOM 0 HA ALA A 2 6.881 -3.465 1.234 1.00 73.30 H new ATOM 0 HB1 ALA A 2 6.844 -4.505 3.450 1.00 42.33 H new ATOM 0 HB2 ALA A 2 5.782 -3.078 3.390 1.00 42.33 H new ATOM 0 HB3 ALA A 2 5.080 -4.712 3.333 1.00 42.33 H new ATOM 39 N PHE A 3 5.225 -6.029 0.320 1.00 52.10 N ATOM 40 CA PHE A 3 5.312 -7.352 -0.275 1.00 12.23 C ATOM 41 C PHE A 3 6.048 -7.303 -1.615 1.00 71.21 C ATOM 42 O PHE A 3 6.295 -8.340 -2.229 1.00 44.34 O ATOM 43 CB PHE A 3 3.878 -7.831 -0.511 1.00 22.23 C ATOM 44 CG PHE A 3 3.281 -8.611 0.663 1.00 5.51 C ATOM 45 CD1 PHE A 3 3.762 -9.844 0.975 1.00 72.24 C ATOM 46 CD2 PHE A 3 2.271 -8.070 1.395 1.00 52.42 C ATOM 47 CE1 PHE A 3 3.208 -10.567 2.064 1.00 71.42 C ATOM 48 CE2 PHE A 3 1.717 -8.793 2.484 1.00 11.11 C ATOM 49 CZ PHE A 3 2.197 -10.027 2.796 1.00 42.44 C ATOM 0 H PHE A 3 4.314 -5.580 0.230 1.00 52.10 H new ATOM 0 HA PHE A 3 5.861 -8.022 0.386 1.00 12.23 H new ATOM 0 HB2 PHE A 3 3.247 -6.967 -0.718 1.00 22.23 H new ATOM 0 HB3 PHE A 3 3.858 -8.461 -1.400 1.00 22.23 H new ATOM 0 HD1 PHE A 3 4.565 -10.273 0.395 1.00 72.24 H new ATOM 0 HD2 PHE A 3 1.890 -7.090 1.148 1.00 52.42 H new ATOM 0 HE1 PHE A 3 3.590 -11.547 2.311 1.00 71.42 H new ATOM 0 HE2 PHE A 3 0.914 -8.363 3.065 1.00 11.11 H new ATOM 0 HZ PHE A 3 1.776 -10.577 3.624 1.00 42.44 H new ATOM 59 N ALA A 4 6.377 -6.089 -2.029 1.00 41.43 N ATOM 60 CA ALA A 4 7.080 -5.891 -3.286 1.00 31.23 C ATOM 61 C ALA A 4 8.428 -6.612 -3.229 1.00 45.24 C ATOM 62 O ALA A 4 9.066 -6.825 -4.260 1.00 10.25 O ATOM 63 CB ALA A 4 7.230 -4.393 -3.557 1.00 3.01 C ATOM 0 H ALA A 4 6.170 -5.232 -1.517 1.00 41.43 H new ATOM 0 HA ALA A 4 6.513 -6.316 -4.114 1.00 31.23 H new ATOM 0 HB1 ALA A 4 7.757 -4.245 -4.499 1.00 3.01 H new ATOM 0 HB2 ALA A 4 6.243 -3.933 -3.617 1.00 3.01 H new ATOM 0 HB3 ALA A 4 7.797 -3.932 -2.748 1.00 3.01 H new ATOM 69 N SER A 5 8.823 -6.967 -2.016 1.00 21.24 N ATOM 70 CA SER A 5 10.084 -7.659 -1.811 1.00 63.44 C ATOM 71 C SER A 5 9.826 -9.071 -1.280 1.00 45.20 C ATOM 72 O SER A 5 10.526 -10.014 -1.647 1.00 51.42 O ATOM 73 CB SER A 5 10.987 -6.886 -0.848 1.00 61.32 C ATOM 74 OG SER A 5 12.369 -7.108 -1.118 1.00 11.14 O ATOM 0 H SER A 5 8.292 -6.788 -1.164 1.00 21.24 H new ATOM 0 HA SER A 5 10.597 -7.727 -2.771 1.00 63.44 H new ATOM 0 HB2 SER A 5 10.769 -5.821 -0.923 1.00 61.32 H new ATOM 0 HB3 SER A 5 10.765 -7.185 0.176 1.00 61.32 H new ATOM 0 HG SER A 5 12.913 -6.596 -0.483 1.00 11.14 H new ATOM 80 N VAL A 6 8.820 -9.172 -0.424 1.00 4.42 N ATOM 81 CA VAL A 6 8.462 -10.452 0.162 1.00 75.02 C ATOM 82 C VAL A 6 7.987 -11.398 -0.943 1.00 23.30 C ATOM 83 O VAL A 6 8.606 -12.433 -1.186 1.00 74.43 O ATOM 84 CB VAL A 6 7.419 -10.250 1.264 1.00 45.22 C ATOM 85 CG1 VAL A 6 7.089 -11.574 1.956 1.00 41.24 C ATOM 86 CG2 VAL A 6 7.889 -9.204 2.277 1.00 51.21 C ATOM 0 H VAL A 6 8.241 -8.388 -0.122 1.00 4.42 H new ATOM 0 HA VAL A 6 9.330 -10.912 0.634 1.00 75.02 H new ATOM 0 HB VAL A 6 6.506 -9.879 0.798 1.00 45.22 H new ATOM 0 HG11 VAL A 6 6.346 -11.402 2.735 1.00 41.24 H new ATOM 0 HG12 VAL A 6 6.692 -12.278 1.224 1.00 41.24 H new ATOM 0 HG13 VAL A 6 7.994 -11.986 2.403 1.00 41.24 H new ATOM 0 HG21 VAL A 6 7.130 -9.079 3.050 1.00 51.21 H new ATOM 0 HG22 VAL A 6 8.822 -9.534 2.734 1.00 51.21 H new ATOM 0 HG23 VAL A 6 8.050 -8.253 1.770 1.00 51.21 H new ATOM 96 N LEU A 7 6.894 -11.009 -1.582 1.00 61.33 N ATOM 97 CA LEU A 7 6.330 -11.810 -2.656 1.00 12.04 C ATOM 98 C LEU A 7 6.372 -11.010 -3.959 1.00 61.22 C ATOM 99 O LEU A 7 6.880 -9.890 -3.988 1.00 73.12 O ATOM 100 CB LEU A 7 4.930 -12.300 -2.280 1.00 11.44 C ATOM 101 CG LEU A 7 4.846 -13.217 -1.058 1.00 13.12 C ATOM 102 CD1 LEU A 7 3.506 -13.050 -0.338 1.00 50.03 C ATOM 103 CD2 LEU A 7 5.110 -14.673 -1.446 1.00 44.11 C ATOM 0 H LEU A 7 6.384 -10.150 -1.377 1.00 61.33 H new ATOM 0 HA LEU A 7 6.926 -12.709 -2.814 1.00 12.04 H new ATOM 0 HB2 LEU A 7 4.298 -11.430 -2.101 1.00 11.44 H new ATOM 0 HB3 LEU A 7 4.510 -12.828 -3.136 1.00 11.44 H new ATOM 0 HG LEU A 7 5.627 -12.924 -0.357 1.00 13.12 H new ATOM 0 HD11 LEU A 7 3.472 -13.713 0.527 1.00 50.03 H new ATOM 0 HD12 LEU A 7 3.397 -12.017 -0.008 1.00 50.03 H new ATOM 0 HD13 LEU A 7 2.693 -13.301 -1.019 1.00 50.03 H new ATOM 0 HD21 LEU A 7 5.044 -15.303 -0.559 1.00 44.11 H new ATOM 0 HD22 LEU A 7 4.368 -14.995 -2.176 1.00 44.11 H new ATOM 0 HD23 LEU A 7 6.106 -14.759 -1.879 1.00 44.11 H new ATOM 115 N LYS A 8 5.832 -11.617 -5.006 1.00 10.30 N ATOM 116 CA LYS A 8 5.802 -10.975 -6.309 1.00 74.03 C ATOM 117 C LYS A 8 4.543 -10.112 -6.419 1.00 1.12 C ATOM 118 O LYS A 8 3.429 -10.610 -6.266 1.00 20.31 O ATOM 119 CB LYS A 8 5.932 -12.017 -7.422 1.00 52.44 C ATOM 120 CG LYS A 8 6.529 -11.396 -8.687 1.00 51.11 C ATOM 121 CD LYS A 8 6.885 -12.475 -9.712 1.00 3.23 C ATOM 122 CE LYS A 8 7.036 -11.874 -11.111 1.00 0.14 C ATOM 123 NZ LYS A 8 7.591 -12.876 -12.048 1.00 51.20 N ATOM 0 H LYS A 8 5.412 -12.546 -4.978 1.00 10.30 H new ATOM 0 HA LYS A 8 6.657 -10.309 -6.425 1.00 74.03 H new ATOM 0 HB2 LYS A 8 6.563 -12.839 -7.084 1.00 52.44 H new ATOM 0 HB3 LYS A 8 4.952 -12.438 -7.647 1.00 52.44 H new ATOM 0 HG2 LYS A 8 5.817 -10.696 -9.123 1.00 51.11 H new ATOM 0 HG3 LYS A 8 7.421 -10.825 -8.430 1.00 51.11 H new ATOM 0 HD2 LYS A 8 7.814 -12.966 -9.421 1.00 3.23 H new ATOM 0 HD3 LYS A 8 6.110 -13.241 -9.723 1.00 3.23 H new ATOM 0 HE2 LYS A 8 6.067 -11.528 -11.471 1.00 0.14 H new ATOM 0 HE3 LYS A 8 7.691 -11.003 -11.071 1.00 0.14 H new ATOM 0 HZ1 LYS A 8 7.687 -12.452 -12.993 1.00 51.20 H new ATOM 0 HZ2 LYS A 8 8.525 -13.186 -11.711 1.00 51.20 H new ATOM 0 HZ3 LYS A 8 6.952 -13.695 -12.099 1.00 51.20 H new ATOM 136 N ASP A 9 4.763 -8.832 -6.683 1.00 30.32 N ATOM 137 CA ASP A 9 3.660 -7.895 -6.815 1.00 24.14 C ATOM 138 C ASP A 9 2.720 -8.374 -7.922 1.00 54.32 C ATOM 139 O ASP A 9 1.572 -7.938 -7.998 1.00 12.11 O ATOM 140 CB ASP A 9 4.165 -6.501 -7.192 1.00 53.03 C ATOM 141 CG ASP A 9 3.069 -5.477 -7.496 1.00 70.44 C ATOM 142 OD1 ASP A 9 2.206 -5.195 -6.651 1.00 64.14 O ATOM 143 OD2 ASP A 9 3.124 -4.953 -8.674 1.00 22.22 O ATOM 0 H ASP A 9 5.688 -8.422 -6.809 1.00 30.32 H new ATOM 0 HA ASP A 9 3.143 -7.844 -5.857 1.00 24.14 H new ATOM 0 HB2 ASP A 9 4.780 -6.121 -6.377 1.00 53.03 H new ATOM 0 HB3 ASP A 9 4.812 -6.589 -8.065 1.00 53.03 H new ATOM 149 N ALA A 10 3.241 -9.264 -8.754 1.00 13.14 N ATOM 150 CA ALA A 10 2.462 -9.806 -9.854 1.00 34.33 C ATOM 151 C ALA A 10 1.615 -10.975 -9.346 1.00 12.04 C ATOM 152 O ALA A 10 0.526 -11.226 -9.859 1.00 34.21 O ATOM 153 CB ALA A 10 3.400 -10.217 -10.990 1.00 70.02 C ATOM 0 H ALA A 10 4.193 -9.623 -8.688 1.00 13.14 H new ATOM 0 HA ALA A 10 1.781 -9.052 -10.250 1.00 34.33 H new ATOM 0 HB1 ALA A 10 2.816 -10.624 -11.815 1.00 70.02 H new ATOM 0 HB2 ALA A 10 3.957 -9.346 -11.335 1.00 70.02 H new ATOM 0 HB3 ALA A 10 4.096 -10.975 -10.631 1.00 70.02 H new ATOM 159 N GLU A 11 2.148 -11.658 -8.343 1.00 75.22 N ATOM 160 CA GLU A 11 1.454 -12.794 -7.760 1.00 64.30 C ATOM 161 C GLU A 11 0.405 -12.317 -6.754 1.00 3.30 C ATOM 162 O GLU A 11 -0.793 -12.492 -6.971 1.00 2.42 O ATOM 163 CB GLU A 11 2.442 -13.762 -7.105 1.00 11.33 C ATOM 164 CG GLU A 11 3.006 -14.747 -8.130 1.00 23.31 C ATOM 165 CD GLU A 11 2.074 -15.948 -8.307 1.00 44.21 C ATOM 166 OE1 GLU A 11 0.850 -15.807 -8.172 1.00 72.20 O ATOM 167 OE2 GLU A 11 2.664 -17.058 -8.597 1.00 3.15 O ATOM 0 H GLU A 11 3.052 -11.447 -7.920 1.00 75.22 H new ATOM 0 HA GLU A 11 0.944 -13.332 -8.559 1.00 64.30 H new ATOM 0 HB2 GLU A 11 3.257 -13.201 -6.648 1.00 11.33 H new ATOM 0 HB3 GLU A 11 1.944 -14.310 -6.305 1.00 11.33 H new ATOM 0 HG2 GLU A 11 3.142 -14.243 -9.087 1.00 23.31 H new ATOM 0 HG3 GLU A 11 3.989 -15.090 -7.808 1.00 23.31 H new ATOM 175 N VAL A 12 0.894 -11.723 -5.675 1.00 13.10 N ATOM 176 CA VAL A 12 0.013 -11.219 -4.635 1.00 2.31 C ATOM 177 C VAL A 12 -1.162 -10.481 -5.280 1.00 63.24 C ATOM 178 O VAL A 12 -2.295 -10.582 -4.813 1.00 61.20 O ATOM 179 CB VAL A 12 0.803 -10.345 -3.658 1.00 63.32 C ATOM 180 CG1 VAL A 12 2.086 -11.048 -3.209 1.00 12.05 C ATOM 181 CG2 VAL A 12 1.113 -8.979 -4.272 1.00 41.43 C ATOM 0 H VAL A 12 1.888 -11.580 -5.499 1.00 13.10 H new ATOM 0 HA VAL A 12 -0.400 -12.043 -4.053 1.00 2.31 H new ATOM 0 HB VAL A 12 0.183 -10.183 -2.776 1.00 63.32 H new ATOM 0 HG11 VAL A 12 2.629 -10.406 -2.515 1.00 12.05 H new ATOM 0 HG12 VAL A 12 1.833 -11.985 -2.714 1.00 12.05 H new ATOM 0 HG13 VAL A 12 2.711 -11.254 -4.078 1.00 12.05 H new ATOM 0 HG21 VAL A 12 1.675 -8.378 -3.557 1.00 41.43 H new ATOM 0 HG22 VAL A 12 1.705 -9.113 -5.178 1.00 41.43 H new ATOM 0 HG23 VAL A 12 0.181 -8.471 -4.519 1.00 41.43 H new ATOM 191 N THR A 13 -0.851 -9.756 -6.345 1.00 22.03 N ATOM 192 CA THR A 13 -1.867 -9.002 -7.059 1.00 43.23 C ATOM 193 C THR A 13 -3.064 -9.897 -7.386 1.00 43.32 C ATOM 194 O THR A 13 -4.206 -9.539 -7.105 1.00 13.52 O ATOM 195 CB THR A 13 -1.214 -8.384 -8.297 1.00 64.33 C ATOM 196 OG1 THR A 13 -0.713 -7.132 -7.837 1.00 64.05 O ATOM 197 CG2 THR A 13 -2.236 -8.005 -9.371 1.00 24.10 C ATOM 0 H THR A 13 0.090 -9.675 -6.730 1.00 22.03 H new ATOM 0 HA THR A 13 -2.264 -8.193 -6.445 1.00 43.23 H new ATOM 0 HB THR A 13 -0.492 -9.086 -8.715 1.00 64.33 H new ATOM 0 HG1 THR A 13 0.244 -7.214 -7.644 1.00 64.05 H new ATOM 0 HG21 THR A 13 -1.720 -7.571 -10.227 1.00 24.10 H new ATOM 0 HG22 THR A 13 -2.779 -8.896 -9.687 1.00 24.10 H new ATOM 0 HG23 THR A 13 -2.939 -7.278 -8.964 1.00 24.10 H new ATOM 205 N ALA A 14 -2.761 -11.044 -7.976 1.00 3.21 N ATOM 206 CA ALA A 14 -3.798 -11.993 -8.344 1.00 44.22 C ATOM 207 C ALA A 14 -4.568 -12.412 -7.090 1.00 41.05 C ATOM 208 O ALA A 14 -5.746 -12.757 -7.168 1.00 11.32 O ATOM 209 CB ALA A 14 -3.166 -13.185 -9.066 1.00 41.31 C ATOM 0 H ALA A 14 -1.812 -11.338 -8.208 1.00 3.21 H new ATOM 0 HA ALA A 14 -4.510 -11.536 -9.031 1.00 44.22 H new ATOM 0 HB1 ALA A 14 -3.944 -13.897 -9.342 1.00 41.31 H new ATOM 0 HB2 ALA A 14 -2.656 -12.838 -9.965 1.00 41.31 H new ATOM 0 HB3 ALA A 14 -2.447 -13.671 -8.406 1.00 41.31 H new ATOM 215 N ALA A 15 -3.871 -12.369 -5.964 1.00 50.45 N ATOM 216 CA ALA A 15 -4.475 -12.740 -4.696 1.00 3.41 C ATOM 217 C ALA A 15 -5.389 -11.608 -4.221 1.00 24.23 C ATOM 218 O ALA A 15 -6.277 -11.827 -3.398 1.00 41.25 O ATOM 219 CB ALA A 15 -3.375 -13.065 -3.683 1.00 73.51 C ATOM 0 H ALA A 15 -2.894 -12.083 -5.904 1.00 50.45 H new ATOM 0 HA ALA A 15 -5.089 -13.634 -4.810 1.00 3.41 H new ATOM 0 HB1 ALA A 15 -3.828 -13.343 -2.731 1.00 73.51 H new ATOM 0 HB2 ALA A 15 -2.772 -13.894 -4.054 1.00 73.51 H new ATOM 0 HB3 ALA A 15 -2.741 -12.190 -3.541 1.00 73.51 H new ATOM 225 N LEU A 16 -5.139 -10.423 -4.759 1.00 20.53 N ATOM 226 CA LEU A 16 -5.928 -9.257 -4.400 1.00 32.40 C ATOM 227 C LEU A 16 -7.208 -9.235 -5.238 1.00 62.34 C ATOM 228 O LEU A 16 -8.308 -9.142 -4.696 1.00 41.23 O ATOM 229 CB LEU A 16 -5.089 -7.984 -4.524 1.00 55.23 C ATOM 230 CG LEU A 16 -4.042 -7.761 -3.432 1.00 22.34 C ATOM 231 CD1 LEU A 16 -2.865 -6.939 -3.960 1.00 0.32 C ATOM 232 CD2 LEU A 16 -4.672 -7.129 -2.189 1.00 5.40 C ATOM 0 H LEU A 16 -4.401 -10.246 -5.441 1.00 20.53 H new ATOM 0 HA LEU A 16 -6.232 -9.310 -3.355 1.00 32.40 H new ATOM 0 HB2 LEU A 16 -4.581 -8.000 -5.488 1.00 55.23 H new ATOM 0 HB3 LEU A 16 -5.763 -7.128 -4.533 1.00 55.23 H new ATOM 0 HG LEU A 16 -3.647 -8.732 -3.134 1.00 22.34 H new ATOM 0 HD11 LEU A 16 -2.135 -6.795 -3.163 1.00 0.32 H new ATOM 0 HD12 LEU A 16 -2.396 -7.467 -4.791 1.00 0.32 H new ATOM 0 HD13 LEU A 16 -3.224 -5.969 -4.303 1.00 0.32 H new ATOM 0 HD21 LEU A 16 -3.906 -6.981 -1.428 1.00 5.40 H new ATOM 0 HD22 LEU A 16 -5.112 -6.167 -2.453 1.00 5.40 H new ATOM 0 HD23 LEU A 16 -5.448 -7.788 -1.799 1.00 5.40 H new ATOM 244 N ASP A 17 -7.021 -9.323 -6.547 1.00 72.02 N ATOM 245 CA ASP A 17 -8.147 -9.314 -7.466 1.00 21.31 C ATOM 246 C ASP A 17 -9.012 -10.551 -7.217 1.00 35.12 C ATOM 247 O ASP A 17 -10.161 -10.608 -7.654 1.00 43.03 O ATOM 248 CB ASP A 17 -7.672 -9.355 -8.920 1.00 2.24 C ATOM 249 CG ASP A 17 -8.603 -8.673 -9.924 1.00 11.54 C ATOM 250 OD1 ASP A 17 -8.383 -7.517 -10.316 1.00 22.10 O ATOM 251 OD2 ASP A 17 -9.605 -9.387 -10.311 1.00 21.13 O ATOM 0 H ASP A 17 -6.107 -9.401 -6.993 1.00 72.02 H new ATOM 0 HA ASP A 17 -8.713 -8.398 -7.297 1.00 21.31 H new ATOM 0 HB2 ASP A 17 -6.691 -8.884 -8.979 1.00 2.24 H new ATOM 0 HB3 ASP A 17 -7.544 -10.396 -9.215 1.00 2.24 H new ATOM 257 N GLY A 18 -8.428 -11.511 -6.515 1.00 35.11 N ATOM 258 CA GLY A 18 -9.132 -12.743 -6.202 1.00 70.43 C ATOM 259 C GLY A 18 -10.003 -12.577 -4.955 1.00 43.43 C ATOM 260 O GLY A 18 -10.731 -13.492 -4.576 1.00 14.04 O ATOM 0 H GLY A 18 -7.475 -11.461 -6.154 1.00 35.11 H new ATOM 0 HA2 GLY A 18 -9.754 -13.035 -7.048 1.00 70.43 H new ATOM 0 HA3 GLY A 18 -8.413 -13.546 -6.043 1.00 70.43 H new ATOM 264 N CYS A 19 -9.898 -11.401 -4.353 1.00 33.44 N ATOM 265 CA CYS A 19 -10.667 -11.103 -3.156 1.00 52.23 C ATOM 266 C CYS A 19 -11.234 -9.688 -3.290 1.00 4.10 C ATOM 267 O CYS A 19 -11.511 -9.029 -2.289 1.00 23.32 O ATOM 268 CB CYS A 19 -9.826 -11.263 -1.889 1.00 22.45 C ATOM 269 SG CYS A 19 -8.890 -12.834 -1.954 1.00 24.54 S ATOM 0 H CYS A 19 -9.293 -10.644 -4.671 1.00 33.44 H new ATOM 0 HA CYS A 19 -11.487 -11.815 -3.061 1.00 52.23 H new ATOM 0 HB2 CYS A 19 -9.138 -10.424 -1.791 1.00 22.45 H new ATOM 0 HB3 CYS A 19 -10.471 -11.250 -1.010 1.00 22.45 H new ATOM 0 HG CYS A 19 -7.753 -12.637 -2.552 1.00 24.54 H new ATOM 275 N LYS A 20 -11.389 -9.262 -4.535 1.00 22.20 N ATOM 276 CA LYS A 20 -11.917 -7.937 -4.812 1.00 72.45 C ATOM 277 C LYS A 20 -13.435 -7.948 -4.620 1.00 0.22 C ATOM 278 O LYS A 20 -14.059 -6.892 -4.519 1.00 62.42 O ATOM 279 CB LYS A 20 -11.477 -7.464 -6.199 1.00 64.53 C ATOM 280 CG LYS A 20 -10.198 -6.629 -6.113 1.00 24.10 C ATOM 281 CD LYS A 20 -10.515 -5.177 -5.748 1.00 25.52 C ATOM 282 CE LYS A 20 -10.557 -4.991 -4.230 1.00 12.31 C ATOM 283 NZ LYS A 20 -10.163 -3.611 -3.866 1.00 64.41 N ATOM 0 H LYS A 20 -11.158 -9.811 -5.363 1.00 22.20 H new ATOM 0 HA LYS A 20 -11.511 -7.210 -4.109 1.00 72.45 H new ATOM 0 HB2 LYS A 20 -11.310 -8.326 -6.845 1.00 64.53 H new ATOM 0 HB3 LYS A 20 -12.271 -6.873 -6.655 1.00 64.53 H new ATOM 0 HG2 LYS A 20 -9.529 -7.058 -5.367 1.00 24.10 H new ATOM 0 HG3 LYS A 20 -9.673 -6.662 -7.068 1.00 24.10 H new ATOM 0 HD2 LYS A 20 -9.762 -4.517 -6.178 1.00 25.52 H new ATOM 0 HD3 LYS A 20 -11.474 -4.891 -6.180 1.00 25.52 H new ATOM 0 HE2 LYS A 20 -11.561 -5.199 -3.860 1.00 12.31 H new ATOM 0 HE3 LYS A 20 -9.887 -5.705 -3.751 1.00 12.31 H new ATOM 0 HZ1 LYS A 20 -9.651 -3.623 -2.961 1.00 64.41 H new ATOM 0 HZ2 LYS A 20 -9.547 -3.219 -4.606 1.00 64.41 H new ATOM 0 HZ3 LYS A 20 -11.014 -3.020 -3.775 1.00 64.41 H new ATOM 296 N ALA A 21 -13.985 -9.152 -4.574 1.00 73.10 N ATOM 297 CA ALA A 21 -15.418 -9.314 -4.395 1.00 52.22 C ATOM 298 C ALA A 21 -15.760 -9.188 -2.909 1.00 43.21 C ATOM 299 O ALA A 21 -15.430 -10.068 -2.116 1.00 31.31 O ATOM 300 CB ALA A 21 -15.858 -10.656 -4.983 1.00 21.34 C ATOM 0 H ALA A 21 -13.464 -10.025 -4.658 1.00 73.10 H new ATOM 0 HA ALA A 21 -15.961 -8.532 -4.926 1.00 52.22 H new ATOM 0 HB1 ALA A 21 -16.933 -10.777 -4.849 1.00 21.34 H new ATOM 0 HB2 ALA A 21 -15.620 -10.683 -6.046 1.00 21.34 H new ATOM 0 HB3 ALA A 21 -15.335 -11.465 -4.474 1.00 21.34 H new ATOM 306 N ALA A 22 -16.416 -8.086 -2.577 1.00 11.11 N ATOM 307 CA ALA A 22 -16.806 -7.833 -1.200 1.00 62.30 C ATOM 308 C ALA A 22 -17.439 -9.097 -0.614 1.00 13.41 C ATOM 309 O ALA A 22 -18.194 -9.790 -1.294 1.00 63.13 O ATOM 310 CB ALA A 22 -17.750 -6.630 -1.149 1.00 63.20 C ATOM 0 H ALA A 22 -16.687 -7.358 -3.238 1.00 11.11 H new ATOM 0 HA ALA A 22 -15.934 -7.589 -0.593 1.00 62.30 H new ATOM 0 HB1 ALA A 22 -18.042 -6.440 -0.116 1.00 63.20 H new ATOM 0 HB2 ALA A 22 -17.243 -5.752 -1.549 1.00 63.20 H new ATOM 0 HB3 ALA A 22 -18.638 -6.839 -1.745 1.00 63.20 H new ATOM 316 N GLY A 23 -17.109 -9.357 0.642 1.00 32.44 N ATOM 317 CA GLY A 23 -17.636 -10.525 1.328 1.00 74.11 C ATOM 318 C GLY A 23 -17.247 -11.812 0.598 1.00 44.02 C ATOM 319 O GLY A 23 -17.854 -12.860 0.812 1.00 52.21 O ATOM 0 H GLY A 23 -16.483 -8.779 1.203 1.00 32.44 H new ATOM 0 HA2 GLY A 23 -17.256 -10.553 2.349 1.00 74.11 H new ATOM 0 HA3 GLY A 23 -18.722 -10.454 1.393 1.00 74.11 H new ATOM 323 N SER A 24 -16.235 -11.691 -0.249 1.00 52.45 N ATOM 324 CA SER A 24 -15.757 -12.831 -1.012 1.00 71.14 C ATOM 325 C SER A 24 -14.265 -13.047 -0.751 1.00 50.13 C ATOM 326 O SER A 24 -13.614 -13.820 -1.452 1.00 60.02 O ATOM 327 CB SER A 24 -16.012 -12.639 -2.509 1.00 4.53 C ATOM 328 OG SER A 24 -16.233 -13.878 -3.176 1.00 44.14 O ATOM 0 H SER A 24 -15.733 -10.820 -0.423 1.00 52.45 H new ATOM 0 HA SER A 24 -16.308 -13.714 -0.688 1.00 71.14 H new ATOM 0 HB2 SER A 24 -16.878 -11.992 -2.649 1.00 4.53 H new ATOM 0 HB3 SER A 24 -15.159 -12.132 -2.960 1.00 4.53 H new ATOM 0 HG SER A 24 -16.393 -13.713 -4.129 1.00 44.14 H new ATOM 334 N PHE A 25 -13.767 -12.350 0.259 1.00 0.33 N ATOM 335 CA PHE A 25 -12.364 -12.455 0.622 1.00 62.33 C ATOM 336 C PHE A 25 -12.140 -13.591 1.622 1.00 21.12 C ATOM 337 O PHE A 25 -12.984 -13.842 2.481 1.00 1.11 O ATOM 338 CB PHE A 25 -11.970 -11.130 1.276 1.00 11.24 C ATOM 339 CG PHE A 25 -10.776 -11.236 2.228 1.00 73.13 C ATOM 340 CD1 PHE A 25 -9.512 -11.296 1.729 1.00 55.42 C ATOM 341 CD2 PHE A 25 -10.979 -11.271 3.572 1.00 31.00 C ATOM 342 CE1 PHE A 25 -8.405 -11.394 2.612 1.00 63.34 C ATOM 343 CE2 PHE A 25 -9.871 -11.370 4.455 1.00 53.22 C ATOM 344 CZ PHE A 25 -8.607 -11.429 3.956 1.00 74.31 C ATOM 0 H PHE A 25 -14.310 -11.710 0.838 1.00 0.33 H new ATOM 0 HA PHE A 25 -11.765 -12.664 -0.265 1.00 62.33 H new ATOM 0 HB2 PHE A 25 -11.736 -10.407 0.495 1.00 11.24 H new ATOM 0 HB3 PHE A 25 -12.826 -10.739 1.826 1.00 11.24 H new ATOM 0 HD1 PHE A 25 -9.351 -11.269 0.661 1.00 55.42 H new ATOM 0 HD2 PHE A 25 -11.983 -11.224 3.968 1.00 31.00 H new ATOM 0 HE1 PHE A 25 -7.401 -11.441 2.216 1.00 63.34 H new ATOM 0 HE2 PHE A 25 -10.032 -11.398 5.523 1.00 53.22 H new ATOM 0 HZ PHE A 25 -7.764 -11.504 4.627 1.00 74.31 H new ATOM 354 N ASP A 26 -10.998 -14.247 1.478 1.00 71.52 N ATOM 355 CA ASP A 26 -10.653 -15.351 2.358 1.00 4.42 C ATOM 356 C ASP A 26 -9.224 -15.160 2.872 1.00 40.55 C ATOM 357 O ASP A 26 -8.399 -14.538 2.204 1.00 65.31 O ATOM 358 CB ASP A 26 -10.713 -16.687 1.616 1.00 34.22 C ATOM 359 CG ASP A 26 -12.030 -17.451 1.768 1.00 72.53 C ATOM 360 OD1 ASP A 26 -12.369 -17.929 2.860 1.00 33.35 O ATOM 361 OD2 ASP A 26 -12.731 -17.549 0.689 1.00 60.20 O ATOM 0 H ASP A 26 -10.300 -14.035 0.765 1.00 71.52 H new ATOM 0 HA ASP A 26 -11.369 -15.363 3.180 1.00 4.42 H new ATOM 0 HB2 ASP A 26 -10.536 -16.505 0.556 1.00 34.22 H new ATOM 0 HB3 ASP A 26 -9.900 -17.320 1.971 1.00 34.22 H new ATOM 367 N HIS A 27 -8.976 -15.705 4.053 1.00 20.02 N ATOM 368 CA HIS A 27 -7.661 -15.602 4.664 1.00 74.42 C ATOM 369 C HIS A 27 -6.755 -16.708 4.119 1.00 43.43 C ATOM 370 O HIS A 27 -5.743 -16.426 3.478 1.00 71.10 O ATOM 371 CB HIS A 27 -7.768 -15.622 6.190 1.00 54.11 C ATOM 372 CG HIS A 27 -8.585 -16.770 6.734 1.00 55.44 C ATOM 373 ND1 HIS A 27 -9.969 -16.762 6.753 1.00 53.23 N ATOM 374 CD2 HIS A 27 -8.200 -17.960 7.276 1.00 24.11 C ATOM 375 CE1 HIS A 27 -10.387 -17.901 7.286 1.00 43.42 C ATOM 376 NE2 HIS A 27 -9.288 -18.642 7.610 1.00 54.31 N ATOM 0 H HIS A 27 -9.663 -16.220 4.604 1.00 20.02 H new ATOM 0 HA HIS A 27 -7.208 -14.646 4.402 1.00 74.42 H new ATOM 0 HB2 HIS A 27 -6.765 -15.671 6.614 1.00 54.11 H new ATOM 0 HB3 HIS A 27 -8.210 -14.684 6.525 1.00 54.11 H new ATOM 0 HD2 HIS A 27 -7.181 -18.292 7.411 1.00 24.11 H new ATOM 0 HE1 HIS A 27 -11.416 -18.192 7.437 1.00 43.42 H new ATOM 0 HE2 HIS A 27 -9.301 -19.568 8.038 1.00 54.31 H new ATOM 384 N LYS A 28 -7.150 -17.942 4.393 1.00 22.01 N ATOM 385 CA LYS A 28 -6.385 -19.091 3.938 1.00 35.03 C ATOM 386 C LYS A 28 -6.125 -18.962 2.436 1.00 23.52 C ATOM 387 O LYS A 28 -5.004 -19.176 1.977 1.00 60.34 O ATOM 388 CB LYS A 28 -7.089 -20.392 4.331 1.00 4.13 C ATOM 389 CG LYS A 28 -8.564 -20.362 3.927 1.00 41.53 C ATOM 390 CD LYS A 28 -8.834 -21.320 2.765 1.00 23.33 C ATOM 391 CE LYS A 28 -8.845 -22.773 3.245 1.00 30.10 C ATOM 392 NZ LYS A 28 -10.229 -23.216 3.524 1.00 14.01 N ATOM 0 H LYS A 28 -7.990 -18.172 4.924 1.00 22.01 H new ATOM 0 HA LYS A 28 -5.412 -19.121 4.429 1.00 35.03 H new ATOM 0 HB2 LYS A 28 -6.594 -21.236 3.851 1.00 4.13 H new ATOM 0 HB3 LYS A 28 -7.006 -20.543 5.407 1.00 4.13 H new ATOM 0 HG2 LYS A 28 -9.184 -20.636 4.780 1.00 41.53 H new ATOM 0 HG3 LYS A 28 -8.846 -19.349 3.641 1.00 41.53 H new ATOM 0 HD2 LYS A 28 -9.792 -21.078 2.304 1.00 23.33 H new ATOM 0 HD3 LYS A 28 -8.070 -21.192 1.998 1.00 23.33 H new ATOM 0 HE2 LYS A 28 -8.397 -23.416 2.487 1.00 30.10 H new ATOM 0 HE3 LYS A 28 -8.238 -22.870 4.145 1.00 30.10 H new ATOM 0 HZ1 LYS A 28 -10.218 -24.204 3.849 1.00 14.01 H new ATOM 0 HZ2 LYS A 28 -10.644 -22.613 4.263 1.00 14.01 H new ATOM 0 HZ3 LYS A 28 -10.798 -23.143 2.657 1.00 14.01 H new ATOM 405 N LYS A 29 -7.178 -18.614 1.713 1.00 54.32 N ATOM 406 CA LYS A 29 -7.078 -18.454 0.272 1.00 25.01 C ATOM 407 C LYS A 29 -5.840 -17.617 -0.059 1.00 32.15 C ATOM 408 O LYS A 29 -4.889 -18.118 -0.656 1.00 22.32 O ATOM 409 CB LYS A 29 -8.377 -17.881 -0.296 1.00 14.32 C ATOM 410 CG LYS A 29 -9.533 -18.868 -0.124 1.00 74.41 C ATOM 411 CD LYS A 29 -9.212 -20.209 -0.787 1.00 61.31 C ATOM 412 CE LYS A 29 -10.472 -21.065 -0.932 1.00 23.33 C ATOM 413 NZ LYS A 29 -11.330 -20.544 -2.019 1.00 35.24 N ATOM 0 H LYS A 29 -8.106 -18.438 2.098 1.00 54.32 H new ATOM 0 HA LYS A 29 -6.947 -19.423 -0.210 1.00 25.01 H new ATOM 0 HB2 LYS A 29 -8.616 -16.944 0.207 1.00 14.32 H new ATOM 0 HB3 LYS A 29 -8.245 -17.650 -1.353 1.00 14.32 H new ATOM 0 HG2 LYS A 29 -9.731 -19.021 0.937 1.00 74.41 H new ATOM 0 HG3 LYS A 29 -10.440 -18.450 -0.560 1.00 74.41 H new ATOM 0 HD2 LYS A 29 -8.770 -20.037 -1.768 1.00 61.31 H new ATOM 0 HD3 LYS A 29 -8.471 -20.744 -0.193 1.00 61.31 H new ATOM 0 HE2 LYS A 29 -10.195 -22.098 -1.143 1.00 23.33 H new ATOM 0 HE3 LYS A 29 -11.026 -21.069 0.007 1.00 23.33 H new ATOM 0 HZ1 LYS A 29 -12.038 -21.261 -2.276 1.00 35.24 H new ATOM 0 HZ2 LYS A 29 -11.812 -19.681 -1.697 1.00 35.24 H new ATOM 0 HZ3 LYS A 29 -10.743 -20.324 -2.849 1.00 35.24 H new ATOM 426 N PHE A 30 -5.893 -16.356 0.344 1.00 31.04 N ATOM 427 CA PHE A 30 -4.788 -15.445 0.098 1.00 14.34 C ATOM 428 C PHE A 30 -3.445 -16.127 0.365 1.00 51.10 C ATOM 429 O PHE A 30 -2.627 -16.271 -0.542 1.00 73.34 O ATOM 430 CB PHE A 30 -4.952 -14.272 1.067 1.00 53.42 C ATOM 431 CG PHE A 30 -4.462 -12.933 0.511 1.00 55.11 C ATOM 432 CD1 PHE A 30 -5.342 -11.913 0.319 1.00 31.44 C ATOM 433 CD2 PHE A 30 -3.148 -12.762 0.208 1.00 24.44 C ATOM 434 CE1 PHE A 30 -4.888 -10.671 -0.196 1.00 65.14 C ATOM 435 CE2 PHE A 30 -2.693 -11.520 -0.308 1.00 10.05 C ATOM 436 CZ PHE A 30 -3.573 -10.500 -0.499 1.00 63.51 C ATOM 0 H PHE A 30 -6.684 -15.944 0.839 1.00 31.04 H new ATOM 0 HA PHE A 30 -4.799 -15.119 -0.942 1.00 14.34 H new ATOM 0 HB2 PHE A 30 -6.005 -14.179 1.335 1.00 53.42 H new ATOM 0 HB3 PHE A 30 -4.408 -14.494 1.985 1.00 53.42 H new ATOM 0 HD1 PHE A 30 -6.386 -12.049 0.559 1.00 31.44 H new ATOM 0 HD2 PHE A 30 -2.449 -13.572 0.360 1.00 24.44 H new ATOM 0 HE1 PHE A 30 -5.587 -9.861 -0.347 1.00 65.14 H new ATOM 0 HE2 PHE A 30 -1.649 -11.385 -0.549 1.00 10.05 H new ATOM 0 HZ PHE A 30 -3.228 -9.555 -0.891 1.00 63.51 H new ATOM 446 N PHE A 31 -3.259 -16.528 1.614 1.00 70.42 N ATOM 447 CA PHE A 31 -2.029 -17.192 2.011 1.00 1.13 C ATOM 448 C PHE A 31 -1.794 -18.455 1.180 1.00 43.41 C ATOM 449 O PHE A 31 -0.659 -18.909 1.042 1.00 40.22 O ATOM 450 CB PHE A 31 -2.188 -17.586 3.481 1.00 0.31 C ATOM 451 CG PHE A 31 -2.411 -16.400 4.422 1.00 22.13 C ATOM 452 CD1 PHE A 31 -1.780 -15.218 4.188 1.00 23.35 C ATOM 453 CD2 PHE A 31 -3.240 -16.528 5.493 1.00 60.14 C ATOM 454 CE1 PHE A 31 -1.986 -14.118 5.062 1.00 74.00 C ATOM 455 CE2 PHE A 31 -3.447 -15.428 6.366 1.00 3.22 C ATOM 456 CZ PHE A 31 -2.816 -14.246 6.132 1.00 4.04 C ATOM 0 H PHE A 31 -3.939 -16.406 2.364 1.00 70.42 H new ATOM 0 HA PHE A 31 -1.180 -16.525 1.857 1.00 1.13 H new ATOM 0 HB2 PHE A 31 -3.029 -18.273 3.574 1.00 0.31 H new ATOM 0 HB3 PHE A 31 -1.297 -18.127 3.800 1.00 0.31 H new ATOM 0 HD1 PHE A 31 -1.122 -15.116 3.337 1.00 23.35 H new ATOM 0 HD2 PHE A 31 -3.741 -17.467 5.679 1.00 60.14 H new ATOM 0 HE1 PHE A 31 -1.484 -13.180 4.877 1.00 74.00 H new ATOM 0 HE2 PHE A 31 -4.105 -15.530 7.216 1.00 3.22 H new ATOM 0 HZ PHE A 31 -2.974 -13.409 6.796 1.00 4.04 H new ATOM 466 N LYS A 32 -2.885 -18.986 0.648 1.00 45.14 N ATOM 467 CA LYS A 32 -2.811 -20.187 -0.166 1.00 73.25 C ATOM 468 C LYS A 32 -2.522 -19.798 -1.617 1.00 43.15 C ATOM 469 O LYS A 32 -2.103 -20.634 -2.417 1.00 31.14 O ATOM 470 CB LYS A 32 -4.078 -21.028 0.004 1.00 53.24 C ATOM 471 CG LYS A 32 -3.957 -21.965 1.207 1.00 12.32 C ATOM 472 CD LYS A 32 -3.193 -23.237 0.837 1.00 61.33 C ATOM 473 CE LYS A 32 -4.148 -24.328 0.347 1.00 11.42 C ATOM 474 NZ LYS A 32 -5.225 -24.556 1.337 1.00 64.01 N ATOM 0 H LYS A 32 -3.825 -18.607 0.765 1.00 45.14 H new ATOM 0 HA LYS A 32 -1.988 -20.821 0.164 1.00 73.25 H new ATOM 0 HB2 LYS A 32 -4.939 -20.372 0.134 1.00 53.24 H new ATOM 0 HB3 LYS A 32 -4.255 -21.611 -0.899 1.00 53.24 H new ATOM 0 HG2 LYS A 32 -3.445 -21.453 2.021 1.00 12.32 H new ATOM 0 HG3 LYS A 32 -4.951 -22.226 1.570 1.00 12.32 H new ATOM 0 HD2 LYS A 32 -2.462 -23.013 0.060 1.00 61.33 H new ATOM 0 HD3 LYS A 32 -2.638 -23.597 1.703 1.00 61.33 H new ATOM 0 HE2 LYS A 32 -4.581 -24.038 -0.610 1.00 11.42 H new ATOM 0 HE3 LYS A 32 -3.597 -25.254 0.180 1.00 11.42 H new ATOM 0 HZ1 LYS A 32 -5.537 -25.547 1.288 1.00 64.01 H new ATOM 0 HZ2 LYS A 32 -4.867 -24.352 2.292 1.00 64.01 H new ATOM 0 HZ3 LYS A 32 -6.028 -23.929 1.127 1.00 64.01 H new ATOM 487 N ALA A 33 -2.756 -18.528 -1.914 1.00 33.10 N ATOM 488 CA ALA A 33 -2.526 -18.018 -3.255 1.00 1.32 C ATOM 489 C ALA A 33 -1.053 -17.630 -3.402 1.00 71.22 C ATOM 490 O ALA A 33 -0.356 -18.146 -4.274 1.00 71.34 O ATOM 491 CB ALA A 33 -3.468 -16.842 -3.523 1.00 23.14 C ATOM 0 H ALA A 33 -3.103 -17.837 -1.249 1.00 33.10 H new ATOM 0 HA ALA A 33 -2.742 -18.784 -3.999 1.00 1.32 H new ATOM 0 HB1 ALA A 33 -3.295 -16.459 -4.529 1.00 23.14 H new ATOM 0 HB2 ALA A 33 -4.502 -17.176 -3.434 1.00 23.14 H new ATOM 0 HB3 ALA A 33 -3.279 -16.051 -2.797 1.00 23.14 H new ATOM 497 N CYS A 34 -0.623 -16.724 -2.536 1.00 71.42 N ATOM 498 CA CYS A 34 0.754 -16.262 -2.559 1.00 41.31 C ATOM 499 C CYS A 34 1.660 -17.432 -2.171 1.00 4.54 C ATOM 500 O CYS A 34 2.823 -17.479 -2.569 1.00 22.43 O ATOM 501 CB CYS A 34 0.960 -15.052 -1.645 1.00 32.32 C ATOM 502 SG CYS A 34 0.301 -15.411 0.025 1.00 42.45 S ATOM 0 H CYS A 34 -1.204 -16.298 -1.814 1.00 71.42 H new ATOM 0 HA CYS A 34 1.010 -15.924 -3.563 1.00 41.31 H new ATOM 0 HB2 CYS A 34 2.021 -14.810 -1.582 1.00 32.32 H new ATOM 0 HB3 CYS A 34 0.458 -14.180 -2.064 1.00 32.32 H new ATOM 0 HG CYS A 34 -0.957 -15.725 -0.063 1.00 42.45 H new ATOM 508 N GLY A 35 1.094 -18.346 -1.398 1.00 34.24 N ATOM 509 CA GLY A 35 1.836 -19.513 -0.951 1.00 0.31 C ATOM 510 C GLY A 35 2.398 -19.299 0.456 1.00 35.53 C ATOM 511 O GLY A 35 3.282 -20.034 0.893 1.00 5.43 O ATOM 0 H GLY A 35 0.129 -18.303 -1.069 1.00 34.24 H new ATOM 0 HA2 GLY A 35 1.185 -20.387 -0.957 1.00 0.31 H new ATOM 0 HA3 GLY A 35 2.651 -19.718 -1.645 1.00 0.31 H new ATOM 515 N LEU A 36 1.860 -18.291 1.127 1.00 71.12 N ATOM 516 CA LEU A 36 2.296 -17.972 2.476 1.00 43.14 C ATOM 517 C LEU A 36 2.016 -19.164 3.393 1.00 11.20 C ATOM 518 O LEU A 36 2.857 -19.533 4.212 1.00 54.14 O ATOM 519 CB LEU A 36 1.656 -16.666 2.951 1.00 62.02 C ATOM 520 CG LEU A 36 2.494 -15.400 2.760 1.00 22.14 C ATOM 521 CD1 LEU A 36 1.600 -14.175 2.562 1.00 74.12 C ATOM 522 CD2 LEU A 36 3.475 -15.212 3.920 1.00 74.02 C ATOM 0 H LEU A 36 1.126 -17.684 0.761 1.00 71.12 H new ATOM 0 HA LEU A 36 3.372 -17.799 2.498 1.00 43.14 H new ATOM 0 HB2 LEU A 36 0.711 -16.535 2.424 1.00 62.02 H new ATOM 0 HB3 LEU A 36 1.419 -16.765 4.010 1.00 62.02 H new ATOM 0 HG LEU A 36 3.086 -15.516 1.852 1.00 22.14 H new ATOM 0 HD11 LEU A 36 2.221 -13.289 2.429 1.00 74.12 H new ATOM 0 HD12 LEU A 36 0.977 -14.318 1.679 1.00 74.12 H new ATOM 0 HD13 LEU A 36 0.964 -14.044 3.437 1.00 74.12 H new ATOM 0 HD21 LEU A 36 4.058 -14.305 3.760 1.00 74.02 H new ATOM 0 HD22 LEU A 36 2.921 -15.127 4.855 1.00 74.02 H new ATOM 0 HD23 LEU A 36 4.145 -16.070 3.972 1.00 74.02 H new ATOM 534 N SER A 37 0.831 -19.733 3.226 1.00 42.24 N ATOM 535 CA SER A 37 0.429 -20.875 4.028 1.00 25.35 C ATOM 536 C SER A 37 1.451 -22.004 3.880 1.00 25.24 C ATOM 537 O SER A 37 1.603 -22.571 2.799 1.00 22.24 O ATOM 538 CB SER A 37 -0.964 -21.365 3.630 1.00 31.45 C ATOM 539 OG SER A 37 -1.532 -22.221 4.619 1.00 65.13 O ATOM 0 H SER A 37 0.136 -19.424 2.546 1.00 42.24 H new ATOM 0 HA SER A 37 0.390 -20.563 5.072 1.00 25.35 H new ATOM 0 HB2 SER A 37 -1.619 -20.508 3.473 1.00 31.45 H new ATOM 0 HB3 SER A 37 -0.903 -21.898 2.681 1.00 31.45 H new ATOM 0 HG SER A 37 -2.422 -22.511 4.328 1.00 65.13 H new ATOM 545 N GLY A 38 2.126 -22.297 4.982 1.00 1.25 N ATOM 546 CA GLY A 38 3.129 -23.348 4.989 1.00 45.20 C ATOM 547 C GLY A 38 4.539 -22.760 4.900 1.00 25.45 C ATOM 548 O GLY A 38 5.519 -23.499 4.809 1.00 11.14 O ATOM 0 H GLY A 38 1.998 -21.824 5.877 1.00 1.25 H new ATOM 0 HA2 GLY A 38 3.035 -23.940 5.899 1.00 45.20 H new ATOM 0 HA3 GLY A 38 2.959 -24.024 4.151 1.00 45.20 H new ATOM 552 N LYS A 39 4.598 -21.437 4.930 1.00 34.14 N ATOM 553 CA LYS A 39 5.871 -20.742 4.855 1.00 64.03 C ATOM 554 C LYS A 39 6.624 -20.920 6.175 1.00 71.21 C ATOM 555 O LYS A 39 6.204 -21.695 7.033 1.00 0.22 O ATOM 556 CB LYS A 39 5.661 -19.279 4.459 1.00 32.14 C ATOM 557 CG LYS A 39 5.447 -19.144 2.950 1.00 33.24 C ATOM 558 CD LYS A 39 6.620 -19.745 2.174 1.00 24.02 C ATOM 559 CE LYS A 39 6.816 -19.030 0.836 1.00 73.24 C ATOM 560 NZ LYS A 39 7.687 -19.828 -0.056 1.00 24.15 N ATOM 0 H LYS A 39 3.784 -20.828 5.005 1.00 34.14 H new ATOM 0 HA LYS A 39 6.494 -21.174 4.072 1.00 64.03 H new ATOM 0 HB2 LYS A 39 4.799 -18.875 4.990 1.00 32.14 H new ATOM 0 HB3 LYS A 39 6.526 -18.689 4.761 1.00 32.14 H new ATOM 0 HG2 LYS A 39 4.522 -19.645 2.664 1.00 33.24 H new ATOM 0 HG3 LYS A 39 5.334 -18.092 2.688 1.00 33.24 H new ATOM 0 HD2 LYS A 39 7.531 -19.669 2.768 1.00 24.02 H new ATOM 0 HD3 LYS A 39 6.440 -20.806 2.001 1.00 24.02 H new ATOM 0 HE2 LYS A 39 5.849 -18.867 0.359 1.00 73.24 H new ATOM 0 HE3 LYS A 39 7.259 -18.048 1.003 1.00 73.24 H new ATOM 0 HZ1 LYS A 39 7.810 -19.328 -0.960 1.00 24.15 H new ATOM 0 HZ2 LYS A 39 8.615 -19.962 0.394 1.00 24.15 H new ATOM 0 HZ3 LYS A 39 7.249 -20.755 -0.230 1.00 24.15 H new ATOM 573 N SER A 40 7.723 -20.190 6.296 1.00 71.11 N ATOM 574 CA SER A 40 8.538 -20.258 7.497 1.00 12.30 C ATOM 575 C SER A 40 8.183 -19.103 8.436 1.00 52.11 C ATOM 576 O SER A 40 7.970 -17.977 7.988 1.00 21.23 O ATOM 577 CB SER A 40 10.028 -20.224 7.154 1.00 43.31 C ATOM 578 OG SER A 40 10.483 -21.467 6.627 1.00 25.45 O ATOM 0 H SER A 40 8.068 -19.548 5.582 1.00 71.11 H new ATOM 0 HA SER A 40 8.330 -21.203 7.999 1.00 12.30 H new ATOM 0 HB2 SER A 40 10.215 -19.432 6.428 1.00 43.31 H new ATOM 0 HB3 SER A 40 10.600 -19.978 8.048 1.00 43.31 H new ATOM 0 HG SER A 40 11.439 -21.404 6.419 1.00 25.45 H new ATOM 584 N THR A 41 8.130 -19.422 9.721 1.00 72.03 N ATOM 585 CA THR A 41 7.804 -18.425 10.727 1.00 63.34 C ATOM 586 C THR A 41 8.715 -17.204 10.582 1.00 73.33 C ATOM 587 O THR A 41 8.388 -16.121 11.063 1.00 13.14 O ATOM 588 CB THR A 41 7.896 -19.092 12.100 1.00 24.44 C ATOM 589 OG1 THR A 41 6.638 -19.744 12.255 1.00 5.52 O ATOM 590 CG2 THR A 41 7.933 -18.076 13.244 1.00 61.14 C ATOM 0 H THR A 41 8.307 -20.357 10.089 1.00 72.03 H new ATOM 0 HA THR A 41 6.788 -18.051 10.599 1.00 63.34 H new ATOM 0 HB THR A 41 8.789 -19.716 12.140 1.00 24.44 H new ATOM 0 HG1 THR A 41 6.612 -20.204 13.120 1.00 5.52 H new ATOM 0 HG21 THR A 41 7.998 -18.602 14.196 1.00 61.14 H new ATOM 0 HG22 THR A 41 8.802 -17.428 13.127 1.00 61.14 H new ATOM 0 HG23 THR A 41 7.025 -17.473 13.224 1.00 61.14 H new ATOM 598 N ASP A 42 9.840 -17.421 9.916 1.00 55.42 N ATOM 599 CA ASP A 42 10.800 -16.351 9.701 1.00 33.33 C ATOM 600 C ASP A 42 10.179 -15.290 8.791 1.00 2.40 C ATOM 601 O ASP A 42 9.987 -14.147 9.205 1.00 61.30 O ATOM 602 CB ASP A 42 12.066 -16.876 9.021 1.00 74.01 C ATOM 603 CG ASP A 42 12.972 -17.728 9.911 1.00 22.41 C ATOM 604 OD1 ASP A 42 13.403 -17.291 10.988 1.00 24.13 O ATOM 605 OD2 ASP A 42 13.237 -18.904 9.452 1.00 63.40 O ATOM 0 H ASP A 42 10.108 -18.321 9.518 1.00 55.42 H new ATOM 0 HA ASP A 42 11.060 -15.931 10.672 1.00 33.33 H new ATOM 0 HB2 ASP A 42 11.775 -17.467 8.153 1.00 74.01 H new ATOM 0 HB3 ASP A 42 12.640 -16.027 8.651 1.00 74.01 H new ATOM 611 N GLU A 43 9.883 -15.704 7.568 1.00 31.31 N ATOM 612 CA GLU A 43 9.288 -14.803 6.596 1.00 61.12 C ATOM 613 C GLU A 43 7.914 -14.334 7.078 1.00 71.11 C ATOM 614 O GLU A 43 7.569 -13.162 6.936 1.00 3.15 O ATOM 615 CB GLU A 43 9.190 -15.467 5.221 1.00 34.31 C ATOM 616 CG GLU A 43 7.927 -16.326 5.116 1.00 4.31 C ATOM 617 CD GLU A 43 7.802 -16.949 3.724 1.00 5.03 C ATOM 618 OE1 GLU A 43 8.605 -17.822 3.362 1.00 51.03 O ATOM 619 OE2 GLU A 43 6.829 -16.496 3.010 1.00 75.33 O ATOM 0 H GLU A 43 10.044 -16.652 7.228 1.00 31.31 H new ATOM 0 HA GLU A 43 9.933 -13.930 6.496 1.00 61.12 H new ATOM 0 HB2 GLU A 43 9.180 -14.703 4.444 1.00 34.31 H new ATOM 0 HB3 GLU A 43 10.071 -16.086 5.048 1.00 34.31 H new ATOM 0 HG2 GLU A 43 7.955 -17.113 5.870 1.00 4.31 H new ATOM 0 HG3 GLU A 43 7.049 -15.715 5.325 1.00 4.31 H new ATOM 627 N VAL A 44 7.166 -15.274 7.637 1.00 1.24 N ATOM 628 CA VAL A 44 5.837 -14.971 8.141 1.00 21.52 C ATOM 629 C VAL A 44 5.898 -13.707 9.000 1.00 14.30 C ATOM 630 O VAL A 44 4.948 -12.925 9.028 1.00 42.01 O ATOM 631 CB VAL A 44 5.276 -16.179 8.894 1.00 34.23 C ATOM 632 CG1 VAL A 44 3.996 -15.809 9.647 1.00 23.34 C ATOM 633 CG2 VAL A 44 5.033 -17.353 7.944 1.00 34.30 C ATOM 0 H VAL A 44 7.455 -16.245 7.752 1.00 1.24 H new ATOM 0 HA VAL A 44 5.152 -14.771 7.317 1.00 21.52 H new ATOM 0 HB VAL A 44 6.019 -16.491 9.628 1.00 34.23 H new ATOM 0 HG11 VAL A 44 3.618 -16.685 10.174 1.00 23.34 H new ATOM 0 HG12 VAL A 44 4.212 -15.019 10.366 1.00 23.34 H new ATOM 0 HG13 VAL A 44 3.245 -15.459 8.938 1.00 23.34 H new ATOM 0 HG21 VAL A 44 4.634 -18.198 8.505 1.00 34.30 H new ATOM 0 HG22 VAL A 44 4.318 -17.058 7.176 1.00 34.30 H new ATOM 0 HG23 VAL A 44 5.973 -17.641 7.473 1.00 34.30 H new ATOM 643 N LYS A 45 7.023 -13.545 9.680 1.00 42.32 N ATOM 644 CA LYS A 45 7.220 -12.388 10.537 1.00 31.21 C ATOM 645 C LYS A 45 7.500 -11.158 9.671 1.00 22.40 C ATOM 646 O LYS A 45 7.079 -10.052 10.004 1.00 44.53 O ATOM 647 CB LYS A 45 8.308 -12.670 11.576 1.00 53.14 C ATOM 648 CG LYS A 45 7.842 -13.721 12.586 1.00 45.33 C ATOM 649 CD LYS A 45 9.035 -14.358 13.303 1.00 53.34 C ATOM 650 CE LYS A 45 8.588 -15.076 14.578 1.00 51.43 C ATOM 651 NZ LYS A 45 7.221 -15.619 14.415 1.00 51.04 N ATOM 0 H LYS A 45 7.808 -14.196 9.655 1.00 42.32 H new ATOM 0 HA LYS A 45 6.315 -12.177 11.106 1.00 31.21 H new ATOM 0 HB2 LYS A 45 9.212 -13.017 11.076 1.00 53.14 H new ATOM 0 HB3 LYS A 45 8.566 -11.748 12.098 1.00 53.14 H new ATOM 0 HG2 LYS A 45 7.178 -13.259 13.317 1.00 45.33 H new ATOM 0 HG3 LYS A 45 7.266 -14.492 12.074 1.00 45.33 H new ATOM 0 HD2 LYS A 45 9.529 -15.065 12.637 1.00 53.34 H new ATOM 0 HD3 LYS A 45 9.767 -13.590 13.552 1.00 53.34 H new ATOM 0 HE2 LYS A 45 9.282 -15.884 14.809 1.00 51.43 H new ATOM 0 HE3 LYS A 45 8.613 -14.384 15.420 1.00 51.43 H new ATOM 0 HZ1 LYS A 45 7.116 -16.475 14.996 1.00 51.04 H new ATOM 0 HZ2 LYS A 45 6.526 -14.907 14.718 1.00 51.04 H new ATOM 0 HZ3 LYS A 45 7.059 -15.857 13.416 1.00 51.04 H new ATOM 664 N LYS A 46 8.209 -11.394 8.577 1.00 70.12 N ATOM 665 CA LYS A 46 8.550 -10.319 7.660 1.00 24.34 C ATOM 666 C LYS A 46 7.315 -9.942 6.840 1.00 31.53 C ATOM 667 O LYS A 46 7.239 -8.842 6.295 1.00 21.43 O ATOM 668 CB LYS A 46 9.760 -10.707 6.807 1.00 1.54 C ATOM 669 CG LYS A 46 10.791 -11.477 7.635 1.00 11.54 C ATOM 670 CD LYS A 46 11.078 -10.761 8.957 1.00 52.21 C ATOM 671 CE LYS A 46 11.903 -9.494 8.726 1.00 3.51 C ATOM 672 NZ LYS A 46 13.346 -9.819 8.661 1.00 34.22 N ATOM 0 H LYS A 46 8.557 -12.313 8.305 1.00 70.12 H new ATOM 0 HA LYS A 46 8.850 -9.428 8.212 1.00 24.34 H new ATOM 0 HB2 LYS A 46 9.435 -11.318 5.965 1.00 1.54 H new ATOM 0 HB3 LYS A 46 10.219 -9.810 6.391 1.00 1.54 H new ATOM 0 HG2 LYS A 46 10.424 -12.484 7.835 1.00 11.54 H new ATOM 0 HG3 LYS A 46 11.715 -11.582 7.066 1.00 11.54 H new ATOM 0 HD2 LYS A 46 10.139 -10.504 9.447 1.00 52.21 H new ATOM 0 HD3 LYS A 46 11.614 -11.431 9.629 1.00 52.21 H new ATOM 0 HE2 LYS A 46 11.590 -9.013 7.799 1.00 3.51 H new ATOM 0 HE3 LYS A 46 11.720 -8.782 9.531 1.00 3.51 H new ATOM 0 HZ1 LYS A 46 13.891 -8.948 8.504 1.00 34.22 H new ATOM 0 HZ2 LYS A 46 13.644 -10.257 9.556 1.00 34.22 H new ATOM 0 HZ3 LYS A 46 13.518 -10.481 7.878 1.00 34.22 H new ATOM 685 N ALA A 47 6.378 -10.877 6.778 1.00 14.25 N ATOM 686 CA ALA A 47 5.149 -10.656 6.034 1.00 23.50 C ATOM 687 C ALA A 47 4.194 -9.807 6.875 1.00 41.25 C ATOM 688 O ALA A 47 3.389 -9.051 6.332 1.00 31.32 O ATOM 689 CB ALA A 47 4.540 -12.005 5.643 1.00 2.53 C ATOM 0 H ALA A 47 6.445 -11.789 7.230 1.00 14.25 H new ATOM 0 HA ALA A 47 5.351 -10.110 5.113 1.00 23.50 H new ATOM 0 HB1 ALA A 47 3.618 -11.840 5.085 1.00 2.53 H new ATOM 0 HB2 ALA A 47 5.246 -12.557 5.022 1.00 2.53 H new ATOM 0 HB3 ALA A 47 4.321 -12.580 6.543 1.00 2.53 H new ATOM 695 N PHE A 48 4.315 -9.959 8.185 1.00 1.11 N ATOM 696 CA PHE A 48 3.472 -9.215 9.106 1.00 44.11 C ATOM 697 C PHE A 48 3.909 -7.751 9.188 1.00 40.22 C ATOM 698 O PHE A 48 3.105 -6.877 9.508 1.00 42.40 O ATOM 699 CB PHE A 48 3.635 -9.861 10.483 1.00 64.20 C ATOM 700 CG PHE A 48 3.042 -9.041 11.630 1.00 54.53 C ATOM 701 CD1 PHE A 48 3.782 -8.066 12.223 1.00 22.54 C ATOM 702 CD2 PHE A 48 1.773 -9.285 12.055 1.00 23.12 C ATOM 703 CE1 PHE A 48 3.231 -7.305 13.288 1.00 41.14 C ATOM 704 CE2 PHE A 48 1.222 -8.524 13.120 1.00 42.54 C ATOM 705 CZ PHE A 48 1.963 -7.549 13.713 1.00 32.53 C ATOM 0 H PHE A 48 4.984 -10.586 8.631 1.00 1.11 H new ATOM 0 HA PHE A 48 2.437 -9.239 8.765 1.00 44.11 H new ATOM 0 HB2 PHE A 48 3.162 -10.843 10.470 1.00 64.20 H new ATOM 0 HB3 PHE A 48 4.696 -10.020 10.675 1.00 64.20 H new ATOM 0 HD1 PHE A 48 4.789 -7.871 11.884 1.00 22.54 H new ATOM 0 HD2 PHE A 48 1.184 -10.058 11.582 1.00 23.12 H new ATOM 0 HE1 PHE A 48 3.819 -6.532 13.760 1.00 41.14 H new ATOM 0 HE2 PHE A 48 0.215 -8.719 13.459 1.00 42.54 H new ATOM 0 HZ PHE A 48 1.544 -6.969 14.522 1.00 32.53 H new ATOM 715 N ALA A 49 5.181 -7.529 8.893 1.00 44.42 N ATOM 716 CA ALA A 49 5.735 -6.185 8.929 1.00 34.51 C ATOM 717 C ALA A 49 5.251 -5.406 7.704 1.00 23.32 C ATOM 718 O ALA A 49 5.545 -4.220 7.563 1.00 61.31 O ATOM 719 CB ALA A 49 7.261 -6.264 9.006 1.00 53.44 C ATOM 0 H ALA A 49 5.845 -8.257 8.628 1.00 44.42 H new ATOM 0 HA ALA A 49 5.392 -5.651 9.815 1.00 34.51 H new ATOM 0 HB1 ALA A 49 7.677 -5.257 9.033 1.00 53.44 H new ATOM 0 HB2 ALA A 49 7.552 -6.801 9.909 1.00 53.44 H new ATOM 0 HB3 ALA A 49 7.643 -6.791 8.131 1.00 53.44 H new ATOM 725 N ILE A 50 4.518 -6.105 6.850 1.00 41.32 N ATOM 726 CA ILE A 50 3.991 -5.493 5.642 1.00 63.34 C ATOM 727 C ILE A 50 2.690 -4.760 5.972 1.00 33.10 C ATOM 728 O ILE A 50 2.612 -3.539 5.847 1.00 11.00 O ATOM 729 CB ILE A 50 3.845 -6.537 4.533 1.00 74.42 C ATOM 730 CG1 ILE A 50 5.076 -7.443 4.466 1.00 30.23 C ATOM 731 CG2 ILE A 50 3.550 -5.871 3.188 1.00 40.25 C ATOM 732 CD1 ILE A 50 5.064 -8.292 3.194 1.00 72.43 C ATOM 0 H ILE A 50 4.277 -7.089 6.970 1.00 41.32 H new ATOM 0 HA ILE A 50 4.687 -4.748 5.257 1.00 63.34 H new ATOM 0 HB ILE A 50 2.991 -7.171 4.772 1.00 74.42 H new ATOM 0 HG12 ILE A 50 5.981 -6.836 4.493 1.00 30.23 H new ATOM 0 HG13 ILE A 50 5.102 -8.093 5.341 1.00 30.23 H new ATOM 0 HG21 ILE A 50 3.451 -6.635 2.417 1.00 40.25 H new ATOM 0 HG22 ILE A 50 2.622 -5.304 3.258 1.00 40.25 H new ATOM 0 HG23 ILE A 50 4.367 -5.198 2.928 1.00 40.25 H new ATOM 0 HD11 ILE A 50 5.950 -8.927 3.172 1.00 72.43 H new ATOM 0 HD12 ILE A 50 4.170 -8.916 3.181 1.00 72.43 H new ATOM 0 HD13 ILE A 50 5.063 -7.639 2.321 1.00 72.43 H new ATOM 744 N ILE A 51 1.700 -5.537 6.387 1.00 13.53 N ATOM 745 CA ILE A 51 0.405 -4.976 6.737 1.00 63.33 C ATOM 746 C ILE A 51 0.597 -3.868 7.773 1.00 3.44 C ATOM 747 O ILE A 51 -0.141 -2.884 7.780 1.00 73.02 O ATOM 748 CB ILE A 51 -0.553 -6.081 7.188 1.00 44.23 C ATOM 749 CG1 ILE A 51 -0.430 -7.313 6.289 1.00 32.22 C ATOM 750 CG2 ILE A 51 -1.991 -5.564 7.259 1.00 41.10 C ATOM 751 CD1 ILE A 51 0.184 -8.489 7.052 1.00 51.12 C ATOM 0 H ILE A 51 1.768 -6.550 6.489 1.00 13.53 H new ATOM 0 HA ILE A 51 -0.061 -4.519 5.864 1.00 63.33 H new ATOM 0 HB ILE A 51 -0.271 -6.388 8.195 1.00 44.23 H new ATOM 0 HG12 ILE A 51 -1.414 -7.593 5.913 1.00 32.22 H new ATOM 0 HG13 ILE A 51 0.187 -7.075 5.422 1.00 32.22 H new ATOM 0 HG21 ILE A 51 -2.651 -6.369 7.582 1.00 41.10 H new ATOM 0 HG22 ILE A 51 -2.047 -4.741 7.971 1.00 41.10 H new ATOM 0 HG23 ILE A 51 -2.301 -5.213 6.274 1.00 41.10 H new ATOM 0 HD11 ILE A 51 0.260 -9.352 6.390 1.00 51.12 H new ATOM 0 HD12 ILE A 51 1.178 -8.214 7.406 1.00 51.12 H new ATOM 0 HD13 ILE A 51 -0.448 -8.740 7.904 1.00 51.12 H new ATOM 763 N ASP A 52 1.593 -4.064 8.625 1.00 42.31 N ATOM 764 CA ASP A 52 1.892 -3.093 9.664 1.00 52.31 C ATOM 765 C ASP A 52 2.494 -1.839 9.026 1.00 10.04 C ATOM 766 O ASP A 52 3.671 -1.824 8.670 1.00 41.12 O ATOM 767 CB ASP A 52 2.908 -3.650 10.663 1.00 52.21 C ATOM 768 CG ASP A 52 3.698 -2.594 11.438 1.00 11.24 C ATOM 769 OD1 ASP A 52 3.267 -1.438 11.564 1.00 35.13 O ATOM 770 OD2 ASP A 52 4.817 -3.004 11.932 1.00 11.14 O ATOM 0 H ASP A 52 2.203 -4.881 8.617 1.00 42.31 H new ATOM 0 HA ASP A 52 0.964 -2.861 10.186 1.00 52.31 H new ATOM 0 HB2 ASP A 52 2.383 -4.285 11.376 1.00 52.21 H new ATOM 0 HB3 ASP A 52 3.611 -4.287 10.126 1.00 52.21 H new ATOM 776 N GLN A 53 1.659 -0.818 8.902 1.00 1.34 N ATOM 777 CA GLN A 53 2.094 0.438 8.314 1.00 24.41 C ATOM 778 C GLN A 53 2.063 1.553 9.360 1.00 15.45 C ATOM 779 O GLN A 53 2.584 2.640 9.202 1.00 71.30 O ATOM 780 CB GLN A 53 1.238 0.800 7.100 1.00 54.24 C ATOM 781 CG GLN A 53 1.116 -0.386 6.140 1.00 1.35 C ATOM 782 CD GLN A 53 -0.029 -0.173 5.149 1.00 74.54 C ATOM 783 OE1 GLN A 53 0.134 0.403 4.086 1.00 11.51 O ATOM 784 NE2 GLN A 53 -1.195 -0.671 5.553 1.00 4.24 N ATOM 0 H GLN A 53 0.683 -0.835 9.199 1.00 1.34 H new ATOM 0 HA GLN A 53 3.121 0.319 7.970 1.00 24.41 H new ATOM 0 HB2 GLN A 53 0.246 1.109 7.429 1.00 54.24 H new ATOM 0 HB3 GLN A 53 1.680 1.650 6.579 1.00 54.24 H new ATOM 0 HG2 GLN A 53 2.052 -0.517 5.597 1.00 1.35 H new ATOM 0 HG3 GLN A 53 0.946 -1.301 6.707 1.00 1.35 H new ATOM 0 HE21 GLN A 53 -1.263 -1.142 6.455 1.00 4.24 H new ATOM 0 HE22 GLN A 53 -2.020 -0.582 4.961 1.00 4.24 H new ATOM 793 N ASP A 54 1.426 1.260 10.460 1.00 34.12 N ATOM 794 CA ASP A 54 1.329 2.261 11.559 1.00 11.25 C ATOM 795 C ASP A 54 2.260 1.866 12.711 1.00 54.32 C ATOM 796 O ASP A 54 2.179 2.503 13.760 1.00 30.44 O ATOM 797 CB ASP A 54 -0.132 2.215 12.010 1.00 64.04 C ATOM 798 CG ASP A 54 -0.530 0.768 12.306 1.00 53.34 C ATOM 799 OD1 ASP A 54 -0.491 -0.036 11.389 1.00 74.23 O ATOM 800 OD2 ASP A 54 -0.870 0.488 13.444 1.00 63.34 O ATOM 0 H ASP A 54 0.967 0.368 10.645 1.00 34.12 H new ATOM 0 HA ASP A 54 1.623 3.260 11.238 1.00 11.25 H new ATOM 0 HB2 ASP A 54 -0.268 2.830 12.900 1.00 64.04 H new ATOM 0 HB3 ASP A 54 -0.776 2.629 11.234 1.00 64.04 H new ATOM 805 N LYS A 55 3.094 0.858 12.507 1.00 20.51 N ATOM 806 CA LYS A 55 4.005 0.418 13.550 1.00 63.21 C ATOM 807 C LYS A 55 3.313 0.536 14.909 1.00 4.53 C ATOM 808 O LYS A 55 3.846 1.156 15.829 1.00 30.30 O ATOM 809 CB LYS A 55 5.327 1.183 13.464 1.00 44.11 C ATOM 810 CG LYS A 55 5.652 1.556 12.016 1.00 54.41 C ATOM 811 CD LYS A 55 5.738 0.309 11.134 1.00 32.02 C ATOM 812 CE LYS A 55 6.884 0.427 10.128 1.00 52.35 C ATOM 813 NZ LYS A 55 8.178 0.123 10.777 1.00 21.54 N ATOM 0 H LYS A 55 3.158 0.333 11.635 1.00 20.51 H new ATOM 0 HA LYS A 55 4.262 -0.632 13.413 1.00 63.21 H new ATOM 0 HB2 LYS A 55 5.269 2.086 14.072 1.00 44.11 H new ATOM 0 HB3 LYS A 55 6.131 0.573 13.875 1.00 44.11 H new ATOM 0 HG2 LYS A 55 4.885 2.227 11.629 1.00 54.41 H new ATOM 0 HG3 LYS A 55 6.597 2.097 11.980 1.00 54.41 H new ATOM 0 HD2 LYS A 55 5.886 -0.572 11.758 1.00 32.02 H new ATOM 0 HD3 LYS A 55 4.796 0.169 10.603 1.00 32.02 H new ATOM 0 HE2 LYS A 55 6.718 -0.258 9.297 1.00 52.35 H new ATOM 0 HE3 LYS A 55 6.907 1.434 9.711 1.00 52.35 H new ATOM 0 HZ1 LYS A 55 8.945 0.208 10.079 1.00 21.54 H new ATOM 0 HZ2 LYS A 55 8.342 0.793 11.555 1.00 21.54 H new ATOM 0 HZ3 LYS A 55 8.158 -0.846 11.153 1.00 21.54 H new ATOM 826 N SER A 56 2.137 -0.067 14.993 1.00 12.22 N ATOM 827 CA SER A 56 1.366 -0.037 16.225 1.00 43.42 C ATOM 828 C SER A 56 1.880 -1.107 17.190 1.00 71.23 C ATOM 829 O SER A 56 1.752 -0.965 18.405 1.00 64.51 O ATOM 830 CB SER A 56 -0.124 -0.243 15.947 1.00 10.14 C ATOM 831 OG SER A 56 -0.350 -1.264 14.979 1.00 15.04 O ATOM 0 H SER A 56 1.698 -0.580 14.228 1.00 12.22 H new ATOM 0 HA SER A 56 1.490 0.945 16.683 1.00 43.42 H new ATOM 0 HB2 SER A 56 -0.633 -0.504 16.875 1.00 10.14 H new ATOM 0 HB3 SER A 56 -0.560 0.692 15.596 1.00 10.14 H new ATOM 0 HG SER A 56 -1.004 -0.951 14.320 1.00 15.04 H new ATOM 837 N GLY A 57 2.450 -2.155 16.612 1.00 14.40 N ATOM 838 CA GLY A 57 2.983 -3.249 17.405 1.00 11.25 C ATOM 839 C GLY A 57 2.103 -4.494 17.283 1.00 31.53 C ATOM 840 O GLY A 57 2.445 -5.554 17.807 1.00 54.05 O ATOM 0 H GLY A 57 2.554 -2.269 15.604 1.00 14.40 H new ATOM 0 HA2 GLY A 57 3.996 -3.482 17.076 1.00 11.25 H new ATOM 0 HA3 GLY A 57 3.049 -2.947 18.450 1.00 11.25 H new ATOM 844 N PHE A 58 0.987 -4.326 16.589 1.00 10.24 N ATOM 845 CA PHE A 58 0.055 -5.423 16.392 1.00 64.32 C ATOM 846 C PHE A 58 -0.863 -5.155 15.197 1.00 25.24 C ATOM 847 O PHE A 58 -0.658 -4.195 14.456 1.00 13.14 O ATOM 848 CB PHE A 58 -0.794 -5.523 17.660 1.00 0.24 C ATOM 849 CG PHE A 58 -0.050 -6.108 18.863 1.00 53.41 C ATOM 850 CD1 PHE A 58 0.728 -7.213 18.710 1.00 52.54 C ATOM 851 CD2 PHE A 58 -0.167 -5.523 20.085 1.00 14.31 C ATOM 852 CE1 PHE A 58 1.418 -7.755 19.826 1.00 71.35 C ATOM 853 CE2 PHE A 58 0.523 -6.066 21.201 1.00 13.41 C ATOM 854 CZ PHE A 58 1.301 -7.170 21.048 1.00 72.42 C ATOM 0 H PHE A 58 0.707 -3.446 16.156 1.00 10.24 H new ATOM 0 HA PHE A 58 0.602 -6.345 16.196 1.00 64.32 H new ATOM 0 HB2 PHE A 58 -1.159 -4.529 17.920 1.00 0.24 H new ATOM 0 HB3 PHE A 58 -1.668 -6.140 17.452 1.00 0.24 H new ATOM 0 HD1 PHE A 58 0.821 -7.678 17.740 1.00 52.54 H new ATOM 0 HD2 PHE A 58 -0.785 -4.645 20.207 1.00 14.31 H new ATOM 0 HE1 PHE A 58 2.036 -8.632 19.704 1.00 71.35 H new ATOM 0 HE2 PHE A 58 0.430 -5.602 22.172 1.00 13.41 H new ATOM 0 HZ PHE A 58 1.826 -7.583 21.897 1.00 72.42 H new ATOM 864 N ILE A 59 -1.854 -6.021 15.048 1.00 71.12 N ATOM 865 CA ILE A 59 -2.804 -5.890 13.956 1.00 0.21 C ATOM 866 C ILE A 59 -4.224 -5.843 14.524 1.00 21.21 C ATOM 867 O ILE A 59 -4.961 -6.824 14.443 1.00 72.40 O ATOM 868 CB ILE A 59 -2.591 -6.999 12.924 1.00 44.11 C ATOM 869 CG1 ILE A 59 -1.299 -6.773 12.135 1.00 13.40 C ATOM 870 CG2 ILE A 59 -3.807 -7.135 12.006 1.00 41.32 C ATOM 871 CD1 ILE A 59 -1.152 -7.806 11.016 1.00 10.23 C ATOM 0 H ILE A 59 -2.020 -6.816 15.665 1.00 71.12 H new ATOM 0 HA ILE A 59 -2.643 -4.954 13.421 1.00 0.21 H new ATOM 0 HB ILE A 59 -2.482 -7.944 13.456 1.00 44.11 H new ATOM 0 HG12 ILE A 59 -1.299 -5.769 11.710 1.00 13.40 H new ATOM 0 HG13 ILE A 59 -0.443 -6.835 12.807 1.00 13.40 H new ATOM 0 HG21 ILE A 59 -3.629 -7.930 11.282 1.00 41.32 H new ATOM 0 HG22 ILE A 59 -4.687 -7.377 12.602 1.00 41.32 H new ATOM 0 HG23 ILE A 59 -3.972 -6.195 11.479 1.00 41.32 H new ATOM 0 HD11 ILE A 59 -0.226 -7.623 10.471 1.00 10.23 H new ATOM 0 HD12 ILE A 59 -1.128 -8.807 11.446 1.00 10.23 H new ATOM 0 HD13 ILE A 59 -1.997 -7.725 10.333 1.00 10.23 H new ATOM 883 N GLU A 60 -4.564 -4.693 15.086 1.00 15.05 N ATOM 884 CA GLU A 60 -5.883 -4.506 15.668 1.00 41.42 C ATOM 885 C GLU A 60 -6.968 -4.827 14.638 1.00 43.01 C ATOM 886 O GLU A 60 -6.704 -4.840 13.437 1.00 63.24 O ATOM 887 CB GLU A 60 -6.046 -3.084 16.210 1.00 21.45 C ATOM 888 CG GLU A 60 -5.054 -2.813 17.344 1.00 72.05 C ATOM 889 CD GLU A 60 -3.750 -2.225 16.801 1.00 1.24 C ATOM 890 OE1 GLU A 60 -3.651 -1.003 16.617 1.00 44.41 O ATOM 891 OE2 GLU A 60 -2.818 -3.086 16.571 1.00 64.10 O ATOM 0 H GLU A 60 -3.950 -3.881 15.151 1.00 15.05 H new ATOM 0 HA GLU A 60 -5.990 -5.194 16.506 1.00 41.42 H new ATOM 0 HB2 GLU A 60 -5.891 -2.364 15.406 1.00 21.45 H new ATOM 0 HB3 GLU A 60 -7.065 -2.943 16.571 1.00 21.45 H new ATOM 0 HG2 GLU A 60 -5.497 -2.123 18.063 1.00 72.05 H new ATOM 0 HG3 GLU A 60 -4.845 -3.740 17.879 1.00 72.05 H new ATOM 899 N GLU A 61 -8.165 -5.078 15.146 1.00 73.22 N ATOM 900 CA GLU A 61 -9.291 -5.399 14.285 1.00 52.31 C ATOM 901 C GLU A 61 -9.332 -4.447 13.088 1.00 44.14 C ATOM 902 O GLU A 61 -9.754 -4.832 11.998 1.00 3.23 O ATOM 903 CB GLU A 61 -10.607 -5.356 15.064 1.00 10.53 C ATOM 904 CG GLU A 61 -11.774 -5.832 14.197 1.00 21.20 C ATOM 905 CD GLU A 61 -13.004 -6.140 15.054 1.00 64.43 C ATOM 906 OE1 GLU A 61 -13.303 -7.316 15.308 1.00 21.53 O ATOM 907 OE2 GLU A 61 -13.658 -5.106 15.461 1.00 42.34 O ATOM 0 H GLU A 61 -8.380 -5.066 16.143 1.00 73.22 H new ATOM 0 HA GLU A 61 -9.160 -6.415 13.913 1.00 52.31 H new ATOM 0 HB2 GLU A 61 -10.529 -5.984 15.951 1.00 10.53 H new ATOM 0 HB3 GLU A 61 -10.797 -4.339 15.409 1.00 10.53 H new ATOM 0 HG2 GLU A 61 -12.021 -5.066 13.462 1.00 21.20 H new ATOM 0 HG3 GLU A 61 -11.480 -6.723 13.643 1.00 21.20 H new ATOM 915 N GLU A 62 -8.887 -3.223 13.330 1.00 10.32 N ATOM 916 CA GLU A 62 -8.867 -2.213 12.285 1.00 11.05 C ATOM 917 C GLU A 62 -7.830 -2.573 11.219 1.00 14.43 C ATOM 918 O GLU A 62 -8.081 -2.412 10.026 1.00 62.22 O ATOM 919 CB GLU A 62 -8.595 -0.825 12.869 1.00 25.32 C ATOM 920 CG GLU A 62 -9.398 -0.603 14.152 1.00 3.33 C ATOM 921 CD GLU A 62 -8.494 -0.676 15.385 1.00 62.44 C ATOM 922 OE1 GLU A 62 -7.342 -0.220 15.337 1.00 62.14 O ATOM 923 OE2 GLU A 62 -9.028 -1.231 16.420 1.00 44.21 O ATOM 0 H GLU A 62 -8.537 -2.907 14.235 1.00 10.32 H new ATOM 0 HA GLU A 62 -9.849 -2.186 11.814 1.00 11.05 H new ATOM 0 HB2 GLU A 62 -7.531 -0.717 13.079 1.00 25.32 H new ATOM 0 HB3 GLU A 62 -8.855 -0.061 12.136 1.00 25.32 H new ATOM 0 HG2 GLU A 62 -9.889 0.369 14.114 1.00 3.33 H new ATOM 0 HG3 GLU A 62 -10.184 -1.354 14.228 1.00 3.33 H new ATOM 931 N GLU A 63 -6.688 -3.052 11.689 1.00 61.35 N ATOM 932 CA GLU A 63 -5.612 -3.436 10.790 1.00 32.03 C ATOM 933 C GLU A 63 -5.966 -4.734 10.062 1.00 32.22 C ATOM 934 O GLU A 63 -5.520 -4.961 8.939 1.00 72.44 O ATOM 935 CB GLU A 63 -4.290 -3.575 11.547 1.00 45.24 C ATOM 936 CG GLU A 63 -3.676 -2.203 11.834 1.00 22.13 C ATOM 937 CD GLU A 63 -2.181 -2.324 12.138 1.00 31.02 C ATOM 938 OE1 GLU A 63 -1.401 -2.321 11.161 1.00 13.53 O ATOM 939 OE2 GLU A 63 -1.852 -2.417 13.341 1.00 72.14 O ATOM 0 H GLU A 63 -6.484 -3.183 12.680 1.00 61.35 H new ATOM 0 HA GLU A 63 -5.487 -2.649 10.047 1.00 32.03 H new ATOM 0 HB2 GLU A 63 -4.457 -4.106 12.484 1.00 45.24 H new ATOM 0 HB3 GLU A 63 -3.593 -4.174 10.962 1.00 45.24 H new ATOM 0 HG2 GLU A 63 -3.824 -1.548 10.976 1.00 22.13 H new ATOM 0 HG3 GLU A 63 -4.187 -1.742 12.679 1.00 22.13 H new ATOM 946 N LEU A 64 -6.765 -5.552 10.732 1.00 22.11 N ATOM 947 CA LEU A 64 -7.184 -6.822 10.163 1.00 42.42 C ATOM 948 C LEU A 64 -7.944 -6.565 8.860 1.00 34.32 C ATOM 949 O LEU A 64 -7.652 -7.179 7.835 1.00 30.54 O ATOM 950 CB LEU A 64 -7.977 -7.633 11.189 1.00 55.01 C ATOM 951 CG LEU A 64 -7.158 -8.558 12.091 1.00 32.21 C ATOM 952 CD1 LEU A 64 -8.037 -9.185 13.175 1.00 23.24 C ATOM 953 CD2 LEU A 64 -6.422 -9.616 11.267 1.00 22.31 C ATOM 0 H LEU A 64 -7.133 -5.360 11.664 1.00 22.11 H new ATOM 0 HA LEU A 64 -6.317 -7.432 9.911 1.00 42.42 H new ATOM 0 HB2 LEU A 64 -8.531 -6.939 11.821 1.00 55.01 H new ATOM 0 HB3 LEU A 64 -8.712 -8.236 10.656 1.00 55.01 H new ATOM 0 HG LEU A 64 -6.400 -7.959 12.597 1.00 32.21 H new ATOM 0 HD11 LEU A 64 -7.431 -9.838 13.803 1.00 23.24 H new ATOM 0 HD12 LEU A 64 -8.476 -8.398 13.788 1.00 23.24 H new ATOM 0 HD13 LEU A 64 -8.832 -9.766 12.708 1.00 23.24 H new ATOM 0 HD21 LEU A 64 -5.847 -10.260 11.932 1.00 22.31 H new ATOM 0 HD22 LEU A 64 -7.146 -10.216 10.716 1.00 22.31 H new ATOM 0 HD23 LEU A 64 -5.748 -9.126 10.565 1.00 22.31 H new ATOM 965 N LYS A 65 -8.905 -5.657 8.942 1.00 35.14 N ATOM 966 CA LYS A 65 -9.710 -5.312 7.783 1.00 52.12 C ATOM 967 C LYS A 65 -8.820 -4.653 6.727 1.00 2.04 C ATOM 968 O LYS A 65 -9.232 -4.483 5.581 1.00 63.11 O ATOM 969 CB LYS A 65 -10.909 -4.456 8.198 1.00 45.11 C ATOM 970 CG LYS A 65 -10.574 -2.965 8.111 1.00 22.43 C ATOM 971 CD LYS A 65 -11.383 -2.162 9.132 1.00 44.35 C ATOM 972 CE LYS A 65 -12.703 -1.680 8.527 1.00 11.13 C ATOM 973 NZ LYS A 65 -12.544 -0.328 7.946 1.00 34.02 N ATOM 0 H LYS A 65 -9.144 -5.149 9.794 1.00 35.14 H new ATOM 0 HA LYS A 65 -10.131 -6.210 7.331 1.00 52.12 H new ATOM 0 HB2 LYS A 65 -11.760 -4.679 7.555 1.00 45.11 H new ATOM 0 HB3 LYS A 65 -11.205 -4.707 9.217 1.00 45.11 H new ATOM 0 HG2 LYS A 65 -9.509 -2.817 8.288 1.00 22.43 H new ATOM 0 HG3 LYS A 65 -10.784 -2.599 7.106 1.00 22.43 H new ATOM 0 HD2 LYS A 65 -11.584 -2.778 10.008 1.00 44.35 H new ATOM 0 HD3 LYS A 65 -10.800 -1.306 9.471 1.00 44.35 H new ATOM 0 HE2 LYS A 65 -13.033 -2.377 7.756 1.00 11.13 H new ATOM 0 HE3 LYS A 65 -13.477 -1.664 9.294 1.00 11.13 H new ATOM 0 HZ1 LYS A 65 -13.449 -0.016 7.540 1.00 34.02 H new ATOM 0 HZ2 LYS A 65 -12.251 0.337 8.690 1.00 34.02 H new ATOM 0 HZ3 LYS A 65 -11.820 -0.354 7.200 1.00 34.02 H new ATOM 986 N LEU A 66 -7.616 -4.300 7.152 1.00 4.43 N ATOM 987 CA LEU A 66 -6.664 -3.663 6.258 1.00 25.10 C ATOM 988 C LEU A 66 -5.705 -4.720 5.705 1.00 52.45 C ATOM 989 O LEU A 66 -4.571 -4.407 5.345 1.00 12.11 O ATOM 990 CB LEU A 66 -5.959 -2.503 6.964 1.00 44.12 C ATOM 991 CG LEU A 66 -6.845 -1.319 7.357 1.00 63.03 C ATOM 992 CD1 LEU A 66 -6.058 -0.293 8.175 1.00 70.31 C ATOM 993 CD2 LEU A 66 -7.498 -0.690 6.124 1.00 24.12 C ATOM 0 H LEU A 66 -7.278 -4.443 8.104 1.00 4.43 H new ATOM 0 HA LEU A 66 -7.179 -3.221 5.405 1.00 25.10 H new ATOM 0 HB2 LEU A 66 -5.481 -2.888 7.865 1.00 44.12 H new ATOM 0 HB3 LEU A 66 -5.165 -2.137 6.314 1.00 44.12 H new ATOM 0 HG LEU A 66 -7.649 -1.690 7.993 1.00 63.03 H new ATOM 0 HD11 LEU A 66 -6.711 0.538 8.441 1.00 70.31 H new ATOM 0 HD12 LEU A 66 -5.681 -0.764 9.083 1.00 70.31 H new ATOM 0 HD13 LEU A 66 -5.221 0.078 7.584 1.00 70.31 H new ATOM 0 HD21 LEU A 66 -8.122 0.149 6.431 1.00 24.12 H new ATOM 0 HD22 LEU A 66 -6.724 -0.336 5.443 1.00 24.12 H new ATOM 0 HD23 LEU A 66 -8.113 -1.434 5.619 1.00 24.12 H new ATOM 1005 N PHE A 67 -6.196 -5.949 5.653 1.00 34.13 N ATOM 1006 CA PHE A 67 -5.398 -7.054 5.150 1.00 42.43 C ATOM 1007 C PHE A 67 -5.205 -6.945 3.636 1.00 44.02 C ATOM 1008 O PHE A 67 -4.489 -7.747 3.039 1.00 64.34 O ATOM 1009 CB PHE A 67 -6.165 -8.340 5.463 1.00 52.40 C ATOM 1010 CG PHE A 67 -5.442 -9.617 5.031 1.00 4.23 C ATOM 1011 CD1 PHE A 67 -5.866 -10.301 3.935 1.00 24.00 C ATOM 1012 CD2 PHE A 67 -4.375 -10.068 5.744 1.00 43.22 C ATOM 1013 CE1 PHE A 67 -5.194 -11.486 3.534 1.00 32.45 C ATOM 1014 CE2 PHE A 67 -3.703 -11.253 5.343 1.00 32.22 C ATOM 1015 CZ PHE A 67 -4.127 -11.937 4.247 1.00 72.50 C ATOM 0 H PHE A 67 -7.137 -6.204 5.951 1.00 34.13 H new ATOM 0 HA PHE A 67 -4.413 -7.045 5.617 1.00 42.43 H new ATOM 0 HB2 PHE A 67 -6.353 -8.387 6.536 1.00 52.40 H new ATOM 0 HB3 PHE A 67 -7.136 -8.300 4.970 1.00 52.40 H new ATOM 0 HD1 PHE A 67 -6.714 -9.943 3.370 1.00 24.00 H new ATOM 0 HD2 PHE A 67 -4.039 -9.525 6.615 1.00 43.22 H new ATOM 0 HE1 PHE A 67 -5.530 -12.029 2.663 1.00 32.45 H new ATOM 0 HE2 PHE A 67 -2.855 -11.611 5.908 1.00 32.22 H new ATOM 0 HZ PHE A 67 -3.616 -12.839 3.942 1.00 72.50 H new ATOM 1025 N LEU A 68 -5.856 -5.946 3.058 1.00 2.05 N ATOM 1026 CA LEU A 68 -5.765 -5.722 1.626 1.00 63.03 C ATOM 1027 C LEU A 68 -4.881 -4.502 1.360 1.00 44.02 C ATOM 1028 O LEU A 68 -4.275 -4.390 0.295 1.00 53.21 O ATOM 1029 CB LEU A 68 -7.161 -5.615 1.010 1.00 34.31 C ATOM 1030 CG LEU A 68 -7.927 -6.930 0.853 1.00 34.40 C ATOM 1031 CD1 LEU A 68 -9.152 -6.748 -0.046 1.00 44.22 C ATOM 1032 CD2 LEU A 68 -7.007 -8.044 0.349 1.00 32.12 C ATOM 0 H LEU A 68 -6.449 -5.282 3.556 1.00 2.05 H new ATOM 0 HA LEU A 68 -5.291 -6.573 1.137 1.00 63.03 H new ATOM 0 HB2 LEU A 68 -7.757 -4.941 1.625 1.00 34.31 H new ATOM 0 HB3 LEU A 68 -7.069 -5.152 0.028 1.00 34.31 H new ATOM 0 HG LEU A 68 -8.291 -7.232 1.835 1.00 34.40 H new ATOM 0 HD11 LEU A 68 -9.678 -7.698 -0.141 1.00 44.22 H new ATOM 0 HD12 LEU A 68 -9.819 -6.006 0.393 1.00 44.22 H new ATOM 0 HD13 LEU A 68 -8.833 -6.410 -1.032 1.00 44.22 H new ATOM 0 HD21 LEU A 68 -7.577 -8.968 0.246 1.00 32.12 H new ATOM 0 HD22 LEU A 68 -6.593 -7.763 -0.619 1.00 32.12 H new ATOM 0 HD23 LEU A 68 -6.195 -8.196 1.061 1.00 32.12 H new ATOM 1044 N GLN A 69 -4.834 -3.619 2.346 1.00 11.41 N ATOM 1045 CA GLN A 69 -4.034 -2.411 2.232 1.00 11.11 C ATOM 1046 C GLN A 69 -2.557 -2.727 2.476 1.00 33.55 C ATOM 1047 O GLN A 69 -1.715 -1.832 2.454 1.00 42.43 O ATOM 1048 CB GLN A 69 -4.530 -1.332 3.196 1.00 13.51 C ATOM 1049 CG GLN A 69 -5.739 -0.593 2.617 1.00 4.33 C ATOM 1050 CD GLN A 69 -5.969 0.734 3.343 1.00 40.41 C ATOM 1051 OE1 GLN A 69 -5.065 1.326 3.910 1.00 15.52 O ATOM 1052 NE2 GLN A 69 -7.226 1.167 3.293 1.00 3.14 N ATOM 0 H GLN A 69 -5.337 -3.716 3.228 1.00 11.41 H new ATOM 0 HA GLN A 69 -4.140 -2.023 1.219 1.00 11.11 H new ATOM 0 HB2 GLN A 69 -4.800 -1.787 4.149 1.00 13.51 H new ATOM 0 HB3 GLN A 69 -3.728 -0.622 3.397 1.00 13.51 H new ATOM 0 HG2 GLN A 69 -5.582 -0.408 1.554 1.00 4.33 H new ATOM 0 HG3 GLN A 69 -6.628 -1.218 2.704 1.00 4.33 H new ATOM 0 HE21 GLN A 69 -7.934 0.622 2.801 1.00 3.14 H new ATOM 0 HE22 GLN A 69 -7.482 2.044 3.747 1.00 3.14 H new ATOM 1061 N ASN A 70 -2.289 -4.005 2.705 1.00 43.44 N ATOM 1062 CA ASN A 70 -0.928 -4.450 2.953 1.00 32.50 C ATOM 1063 C ASN A 70 -0.193 -4.599 1.619 1.00 12.33 C ATOM 1064 O ASN A 70 0.920 -4.099 1.461 1.00 72.40 O ATOM 1065 CB ASN A 70 -0.914 -5.810 3.654 1.00 24.15 C ATOM 1066 CG ASN A 70 -1.901 -6.777 2.998 1.00 40.45 C ATOM 1067 OD1 ASN A 70 -2.706 -6.407 2.158 1.00 22.51 O ATOM 1068 ND2 ASN A 70 -1.795 -8.032 3.425 1.00 51.40 N ATOM 0 H ASN A 70 -2.990 -4.745 2.724 1.00 43.44 H new ATOM 0 HA ASN A 70 -0.442 -3.710 3.589 1.00 32.50 H new ATOM 0 HB2 ASN A 70 0.091 -6.231 3.618 1.00 24.15 H new ATOM 0 HB3 ASN A 70 -1.169 -5.683 4.706 1.00 24.15 H new ATOM 0 HD21 ASN A 70 -2.410 -8.753 3.047 1.00 51.40 H new ATOM 0 HD22 ASN A 70 -1.099 -8.274 4.131 1.00 51.40 H new ATOM 1075 N PHE A 71 -0.845 -5.287 0.694 1.00 33.11 N ATOM 1076 CA PHE A 71 -0.268 -5.507 -0.621 1.00 23.31 C ATOM 1077 C PHE A 71 -0.528 -4.313 -1.541 1.00 72.13 C ATOM 1078 O PHE A 71 -0.301 -4.393 -2.747 1.00 63.24 O ATOM 1079 CB PHE A 71 -0.949 -6.746 -1.207 1.00 4.32 C ATOM 1080 CG PHE A 71 -0.628 -8.043 -0.462 1.00 63.32 C ATOM 1081 CD1 PHE A 71 -1.521 -8.557 0.426 1.00 50.53 C ATOM 1082 CD2 PHE A 71 0.551 -8.683 -0.688 1.00 72.30 C ATOM 1083 CE1 PHE A 71 -1.223 -9.761 1.117 1.00 52.42 C ATOM 1084 CE2 PHE A 71 0.849 -9.887 0.003 1.00 33.42 C ATOM 1085 CZ PHE A 71 -0.045 -10.401 0.891 1.00 4.40 C ATOM 0 H PHE A 71 -1.768 -5.700 0.829 1.00 33.11 H new ATOM 0 HA PHE A 71 0.811 -5.638 -0.537 1.00 23.31 H new ATOM 0 HB2 PHE A 71 -2.028 -6.592 -1.200 1.00 4.32 H new ATOM 0 HB3 PHE A 71 -0.649 -6.854 -2.249 1.00 4.32 H new ATOM 0 HD1 PHE A 71 -2.457 -8.049 0.606 1.00 50.53 H new ATOM 0 HD2 PHE A 71 1.260 -8.275 -1.393 1.00 72.30 H new ATOM 0 HE1 PHE A 71 -1.932 -10.168 1.822 1.00 52.42 H new ATOM 0 HE2 PHE A 71 1.785 -10.395 -0.176 1.00 33.42 H new ATOM 0 HZ PHE A 71 0.181 -11.317 1.416 1.00 4.40 H new ATOM 1095 N LYS A 72 -1.002 -3.233 -0.937 1.00 22.30 N ATOM 1096 CA LYS A 72 -1.296 -2.024 -1.687 1.00 62.11 C ATOM 1097 C LYS A 72 -1.706 -0.914 -0.717 1.00 71.41 C ATOM 1098 O LYS A 72 -2.405 -1.169 0.263 1.00 41.42 O ATOM 1099 CB LYS A 72 -2.335 -2.307 -2.773 1.00 55.14 C ATOM 1100 CG LYS A 72 -2.433 -1.138 -3.756 1.00 74.32 C ATOM 1101 CD LYS A 72 -1.511 -1.354 -4.958 1.00 0.43 C ATOM 1102 CE LYS A 72 -1.810 -0.343 -6.067 1.00 33.13 C ATOM 1103 NZ LYS A 72 -0.893 -0.542 -7.211 1.00 21.32 N ATOM 0 H LYS A 72 -1.190 -3.170 0.064 1.00 22.30 H new ATOM 0 HA LYS A 72 -0.407 -1.676 -2.212 1.00 62.11 H new ATOM 0 HB2 LYS A 72 -2.067 -3.217 -3.310 1.00 55.14 H new ATOM 0 HB3 LYS A 72 -3.308 -2.483 -2.314 1.00 55.14 H new ATOM 0 HG2 LYS A 72 -3.463 -1.031 -4.097 1.00 74.32 H new ATOM 0 HG3 LYS A 72 -2.166 -0.210 -3.251 1.00 74.32 H new ATOM 0 HD2 LYS A 72 -0.471 -1.259 -4.645 1.00 0.43 H new ATOM 0 HD3 LYS A 72 -1.637 -2.367 -5.341 1.00 0.43 H new ATOM 0 HE2 LYS A 72 -2.843 -0.452 -6.398 1.00 33.13 H new ATOM 0 HE3 LYS A 72 -1.705 0.671 -5.681 1.00 33.13 H new ATOM 0 HZ1 LYS A 72 -1.110 0.152 -7.954 1.00 21.32 H new ATOM 0 HZ2 LYS A 72 0.090 -0.415 -6.895 1.00 21.32 H new ATOM 0 HZ3 LYS A 72 -1.013 -1.503 -7.589 1.00 21.32 H new ATOM 1116 N ALA A 73 -1.254 0.293 -1.024 1.00 33.33 N ATOM 1117 CA ALA A 73 -1.566 1.442 -0.191 1.00 43.22 C ATOM 1118 C ALA A 73 -2.831 2.121 -0.719 1.00 73.20 C ATOM 1119 O ALA A 73 -3.045 3.310 -0.487 1.00 34.41 O ATOM 1120 CB ALA A 73 -0.365 2.390 -0.160 1.00 53.42 C ATOM 0 H ALA A 73 -0.675 0.500 -1.837 1.00 33.33 H new ATOM 0 HA ALA A 73 -1.763 1.131 0.835 1.00 43.22 H new ATOM 0 HB1 ALA A 73 -0.598 3.252 0.465 1.00 53.42 H new ATOM 0 HB2 ALA A 73 0.500 1.868 0.250 1.00 53.42 H new ATOM 0 HB3 ALA A 73 -0.140 2.726 -1.172 1.00 53.42 H new ATOM 1126 N GLY A 74 -3.637 1.336 -1.419 1.00 70.01 N ATOM 1127 CA GLY A 74 -4.876 1.846 -1.982 1.00 3.22 C ATOM 1128 C GLY A 74 -5.924 0.738 -2.095 1.00 71.52 C ATOM 1129 O GLY A 74 -6.878 0.856 -2.863 1.00 3.30 O ATOM 0 H GLY A 74 -3.456 0.350 -1.609 1.00 70.01 H new ATOM 0 HA2 GLY A 74 -5.260 2.652 -1.356 1.00 3.22 H new ATOM 0 HA3 GLY A 74 -4.684 2.272 -2.967 1.00 3.22 H new ATOM 1133 N ALA A 75 -5.712 -0.315 -1.319 1.00 62.34 N ATOM 1134 CA ALA A 75 -6.627 -1.444 -1.323 1.00 64.31 C ATOM 1135 C ALA A 75 -7.859 -1.099 -0.485 1.00 74.03 C ATOM 1136 O ALA A 75 -7.898 -0.059 0.170 1.00 44.32 O ATOM 1137 CB ALA A 75 -5.902 -2.690 -0.809 1.00 33.01 C ATOM 0 H ALA A 75 -4.920 -0.410 -0.683 1.00 62.34 H new ATOM 0 HA ALA A 75 -6.967 -1.659 -2.336 1.00 64.31 H new ATOM 0 HB1 ALA A 75 -6.588 -3.537 -0.812 1.00 33.01 H new ATOM 0 HB2 ALA A 75 -5.052 -2.909 -1.455 1.00 33.01 H new ATOM 0 HB3 ALA A 75 -5.549 -2.512 0.207 1.00 33.01 H new ATOM 1143 N ARG A 76 -8.837 -1.992 -0.534 1.00 11.24 N ATOM 1144 CA ARG A 76 -10.068 -1.795 0.213 1.00 51.32 C ATOM 1145 C ARG A 76 -9.986 -2.500 1.568 1.00 70.31 C ATOM 1146 O ARG A 76 -8.977 -3.129 1.884 1.00 10.55 O ATOM 1147 CB ARG A 76 -11.274 -2.331 -0.562 1.00 23.14 C ATOM 1148 CG ARG A 76 -11.193 -3.851 -0.717 1.00 33.11 C ATOM 1149 CD ARG A 76 -12.029 -4.557 0.353 1.00 1.42 C ATOM 1150 NE ARG A 76 -12.378 -5.923 -0.096 1.00 40.33 N ATOM 1151 CZ ARG A 76 -13.412 -6.639 0.393 1.00 71.40 C ATOM 1152 NH1 ARG A 76 -13.632 -7.851 -0.082 1.00 34.23 N ATOM 1153 NH2 ARG A 76 -14.209 -6.124 1.353 1.00 20.54 N ATOM 0 H ARG A 76 -8.802 -2.853 -1.079 1.00 11.24 H new ATOM 0 HA ARG A 76 -10.196 -0.723 0.365 1.00 51.32 H new ATOM 0 HB2 ARG A 76 -12.194 -2.063 -0.042 1.00 23.14 H new ATOM 0 HB3 ARG A 76 -11.316 -1.863 -1.546 1.00 23.14 H new ATOM 0 HG2 ARG A 76 -11.546 -4.138 -1.707 1.00 33.11 H new ATOM 0 HG3 ARG A 76 -10.154 -4.173 -0.643 1.00 33.11 H new ATOM 0 HD2 ARG A 76 -11.472 -4.604 1.289 1.00 1.42 H new ATOM 0 HD3 ARG A 76 -12.937 -3.987 0.551 1.00 1.42 H new ATOM 0 HE ARG A 76 -11.801 -6.350 -0.820 1.00 40.33 H new ATOM 0 HH11 ARG A 76 -13.025 -8.232 -0.807 1.00 34.23 H new ATOM 0 HH12 ARG A 76 -14.409 -8.406 0.276 1.00 34.23 H new ATOM 0 HH21 ARG A 76 -14.032 -5.187 1.714 1.00 20.54 H new ATOM 0 HH22 ARG A 76 -14.988 -6.672 1.717 1.00 20.54 H new ATOM 1166 N ALA A 77 -11.061 -2.373 2.332 1.00 72.15 N ATOM 1167 CA ALA A 77 -11.123 -2.991 3.645 1.00 15.23 C ATOM 1168 C ALA A 77 -12.069 -4.193 3.595 1.00 41.33 C ATOM 1169 O ALA A 77 -13.013 -4.211 2.807 1.00 73.31 O ATOM 1170 CB ALA A 77 -11.558 -1.950 4.679 1.00 54.01 C ATOM 0 H ALA A 77 -11.896 -1.851 2.066 1.00 72.15 H new ATOM 0 HA ALA A 77 -10.141 -3.357 3.943 1.00 15.23 H new ATOM 0 HB1 ALA A 77 -11.605 -2.413 5.664 1.00 54.01 H new ATOM 0 HB2 ALA A 77 -10.838 -1.132 4.697 1.00 54.01 H new ATOM 0 HB3 ALA A 77 -12.542 -1.562 4.413 1.00 54.01 H new ATOM 1176 N LEU A 78 -11.782 -5.167 4.445 1.00 21.03 N ATOM 1177 CA LEU A 78 -12.595 -6.370 4.507 1.00 3.15 C ATOM 1178 C LEU A 78 -13.922 -6.048 5.197 1.00 72.03 C ATOM 1179 O LEU A 78 -13.995 -5.133 6.016 1.00 63.13 O ATOM 1180 CB LEU A 78 -11.817 -7.508 5.171 1.00 33.22 C ATOM 1181 CG LEU A 78 -10.654 -8.087 4.363 1.00 40.51 C ATOM 1182 CD1 LEU A 78 -11.065 -8.332 2.910 1.00 62.51 C ATOM 1183 CD2 LEU A 78 -9.417 -7.192 4.465 1.00 0.03 C ATOM 0 H LEU A 78 -10.998 -5.148 5.097 1.00 21.03 H new ATOM 0 HA LEU A 78 -12.834 -6.721 3.503 1.00 3.15 H new ATOM 0 HB2 LEU A 78 -11.428 -7.148 6.123 1.00 33.22 H new ATOM 0 HB3 LEU A 78 -12.514 -8.315 5.396 1.00 33.22 H new ATOM 0 HG LEU A 78 -10.389 -9.054 4.790 1.00 40.51 H new ATOM 0 HD11 LEU A 78 -10.220 -8.744 2.357 1.00 62.51 H new ATOM 0 HD12 LEU A 78 -11.896 -9.037 2.881 1.00 62.51 H new ATOM 0 HD13 LEU A 78 -11.372 -7.390 2.455 1.00 62.51 H new ATOM 0 HD21 LEU A 78 -8.605 -7.626 3.882 1.00 0.03 H new ATOM 0 HD22 LEU A 78 -9.652 -6.201 4.078 1.00 0.03 H new ATOM 0 HD23 LEU A 78 -9.112 -7.111 5.508 1.00 0.03 H new ATOM 1195 N SER A 79 -14.940 -6.818 4.840 1.00 44.03 N ATOM 1196 CA SER A 79 -16.261 -6.626 5.414 1.00 63.34 C ATOM 1197 C SER A 79 -16.207 -6.829 6.929 1.00 33.32 C ATOM 1198 O SER A 79 -15.454 -7.668 7.421 1.00 60.44 O ATOM 1199 CB SER A 79 -17.278 -7.581 4.786 1.00 63.33 C ATOM 1200 OG SER A 79 -18.550 -7.501 5.423 1.00 41.31 O ATOM 0 H SER A 79 -14.876 -7.576 4.160 1.00 44.03 H new ATOM 0 HA SER A 79 -16.582 -5.606 5.202 1.00 63.34 H new ATOM 0 HB2 SER A 79 -17.388 -7.348 3.727 1.00 63.33 H new ATOM 0 HB3 SER A 79 -16.904 -8.603 4.851 1.00 63.33 H new ATOM 0 HG SER A 79 -19.171 -8.124 4.992 1.00 41.31 H new ATOM 1206 N ASP A 80 -17.016 -6.047 7.628 1.00 55.43 N ATOM 1207 CA ASP A 80 -17.071 -6.130 9.077 1.00 0.23 C ATOM 1208 C ASP A 80 -17.105 -7.600 9.499 1.00 61.35 C ATOM 1209 O ASP A 80 -16.661 -7.947 10.592 1.00 44.02 O ATOM 1210 CB ASP A 80 -18.331 -5.453 9.621 1.00 62.21 C ATOM 1211 CG ASP A 80 -18.223 -3.938 9.804 1.00 13.01 C ATOM 1212 OD1 ASP A 80 -17.466 -3.450 10.656 1.00 43.23 O ATOM 1213 OD2 ASP A 80 -18.969 -3.239 9.017 1.00 70.43 O ATOM 0 H ASP A 80 -17.639 -5.352 7.217 1.00 55.43 H new ATOM 0 HA ASP A 80 -16.190 -5.627 9.476 1.00 0.23 H new ATOM 0 HB2 ASP A 80 -19.159 -5.664 8.945 1.00 62.21 H new ATOM 0 HB3 ASP A 80 -18.581 -5.903 10.582 1.00 62.21 H new ATOM 1219 N ALA A 81 -17.636 -8.425 8.609 1.00 75.54 N ATOM 1220 CA ALA A 81 -17.734 -9.851 8.874 1.00 12.33 C ATOM 1221 C ALA A 81 -16.422 -10.530 8.478 1.00 23.15 C ATOM 1222 O ALA A 81 -15.914 -11.380 9.208 1.00 30.30 O ATOM 1223 CB ALA A 81 -18.938 -10.428 8.127 1.00 31.02 C ATOM 0 H ALA A 81 -18.003 -8.134 7.703 1.00 75.54 H new ATOM 0 HA ALA A 81 -17.892 -10.034 9.937 1.00 12.33 H new ATOM 0 HB1 ALA A 81 -19.011 -11.497 8.326 1.00 31.02 H new ATOM 0 HB2 ALA A 81 -19.848 -9.933 8.466 1.00 31.02 H new ATOM 0 HB3 ALA A 81 -18.814 -10.266 7.056 1.00 31.02 H new ATOM 1229 N GLU A 82 -15.910 -10.129 7.324 1.00 61.40 N ATOM 1230 CA GLU A 82 -14.666 -10.689 6.822 1.00 12.03 C ATOM 1231 C GLU A 82 -13.551 -10.516 7.856 1.00 74.31 C ATOM 1232 O GLU A 82 -12.831 -11.465 8.162 1.00 70.35 O ATOM 1233 CB GLU A 82 -14.278 -10.053 5.486 1.00 14.31 C ATOM 1234 CG GLU A 82 -15.070 -10.673 4.333 1.00 13.21 C ATOM 1235 CD GLU A 82 -14.761 -9.965 3.013 1.00 54.45 C ATOM 1236 OE1 GLU A 82 -15.098 -10.483 1.938 1.00 61.05 O ATOM 1237 OE2 GLU A 82 -14.150 -8.835 3.130 1.00 42.12 O ATOM 0 H GLU A 82 -16.334 -9.423 6.722 1.00 61.40 H new ATOM 0 HA GLU A 82 -14.813 -11.755 6.650 1.00 12.03 H new ATOM 0 HB2 GLU A 82 -14.463 -8.979 5.523 1.00 14.31 H new ATOM 0 HB3 GLU A 82 -13.210 -10.187 5.312 1.00 14.31 H new ATOM 0 HG2 GLU A 82 -14.826 -11.732 4.248 1.00 13.21 H new ATOM 0 HG3 GLU A 82 -16.137 -10.608 4.544 1.00 13.21 H new ATOM 1245 N THR A 83 -13.444 -9.298 8.366 1.00 72.13 N ATOM 1246 CA THR A 83 -12.429 -8.989 9.359 1.00 53.15 C ATOM 1247 C THR A 83 -12.689 -9.771 10.648 1.00 64.15 C ATOM 1248 O THR A 83 -11.795 -9.916 11.480 1.00 20.32 O ATOM 1249 CB THR A 83 -12.412 -7.472 9.561 1.00 74.51 C ATOM 1250 OG1 THR A 83 -11.959 -6.960 8.311 1.00 63.40 O ATOM 1251 CG2 THR A 83 -11.340 -7.027 10.557 1.00 14.44 C ATOM 0 H THR A 83 -14.043 -8.513 8.110 1.00 72.13 H new ATOM 0 HA THR A 83 -11.439 -9.298 9.023 1.00 53.15 H new ATOM 0 HB THR A 83 -13.391 -7.141 9.909 1.00 74.51 H new ATOM 0 HG1 THR A 83 -12.730 -6.705 7.763 1.00 63.40 H new ATOM 0 HG21 THR A 83 -11.370 -5.943 10.664 1.00 14.44 H new ATOM 0 HG22 THR A 83 -11.527 -7.493 11.525 1.00 14.44 H new ATOM 0 HG23 THR A 83 -10.358 -7.328 10.193 1.00 14.44 H new ATOM 1259 N LYS A 84 -13.916 -10.255 10.772 1.00 41.42 N ATOM 1260 CA LYS A 84 -14.304 -11.018 11.945 1.00 31.43 C ATOM 1261 C LYS A 84 -13.831 -12.465 11.787 1.00 42.33 C ATOM 1262 O LYS A 84 -13.327 -13.064 12.735 1.00 22.21 O ATOM 1263 CB LYS A 84 -15.808 -10.887 12.197 1.00 64.44 C ATOM 1264 CG LYS A 84 -16.102 -9.760 13.188 1.00 4.13 C ATOM 1265 CD LYS A 84 -16.003 -10.259 14.631 1.00 30.32 C ATOM 1266 CE LYS A 84 -17.241 -11.072 15.016 1.00 40.11 C ATOM 1267 NZ LYS A 84 -18.475 -10.343 14.647 1.00 41.34 N ATOM 0 H LYS A 84 -14.654 -10.133 10.079 1.00 41.42 H new ATOM 0 HA LYS A 84 -13.819 -10.619 12.836 1.00 31.43 H new ATOM 0 HB2 LYS A 84 -16.322 -10.692 11.256 1.00 64.44 H new ATOM 0 HB3 LYS A 84 -16.199 -11.828 12.585 1.00 64.44 H new ATOM 0 HG2 LYS A 84 -15.398 -8.942 13.033 1.00 4.13 H new ATOM 0 HG3 LYS A 84 -17.100 -9.361 13.005 1.00 4.13 H new ATOM 0 HD2 LYS A 84 -15.110 -10.873 14.747 1.00 30.32 H new ATOM 0 HD3 LYS A 84 -15.896 -9.410 15.307 1.00 30.32 H new ATOM 0 HE2 LYS A 84 -17.219 -12.039 14.514 1.00 40.11 H new ATOM 0 HE3 LYS A 84 -17.235 -11.269 16.088 1.00 40.11 H new ATOM 0 HZ1 LYS A 84 -19.238 -10.594 15.308 1.00 41.34 H new ATOM 0 HZ2 LYS A 84 -18.300 -9.319 14.693 1.00 41.34 H new ATOM 0 HZ3 LYS A 84 -18.756 -10.603 13.680 1.00 41.34 H new ATOM 1280 N ALA A 85 -14.010 -12.983 10.581 1.00 62.33 N ATOM 1281 CA ALA A 85 -13.607 -14.348 10.286 1.00 53.14 C ATOM 1282 C ALA A 85 -12.080 -14.439 10.301 1.00 31.45 C ATOM 1283 O ALA A 85 -11.515 -15.350 10.906 1.00 55.30 O ATOM 1284 CB ALA A 85 -14.203 -14.777 8.943 1.00 32.25 C ATOM 0 H ALA A 85 -14.428 -12.483 9.797 1.00 62.33 H new ATOM 0 HA ALA A 85 -13.986 -15.033 11.045 1.00 53.14 H new ATOM 0 HB1 ALA A 85 -13.901 -15.801 8.721 1.00 32.25 H new ATOM 0 HB2 ALA A 85 -15.290 -14.722 8.993 1.00 32.25 H new ATOM 0 HB3 ALA A 85 -13.842 -14.114 8.157 1.00 32.25 H new ATOM 1290 N PHE A 86 -11.455 -13.484 9.630 1.00 50.23 N ATOM 1291 CA PHE A 86 -10.004 -13.445 9.559 1.00 52.01 C ATOM 1292 C PHE A 86 -9.395 -13.172 10.936 1.00 71.33 C ATOM 1293 O PHE A 86 -8.209 -13.415 11.153 1.00 71.31 O ATOM 1294 CB PHE A 86 -9.633 -12.300 8.614 1.00 20.13 C ATOM 1295 CG PHE A 86 -8.135 -12.196 8.322 1.00 42.22 C ATOM 1296 CD1 PHE A 86 -7.371 -13.320 8.276 1.00 60.21 C ATOM 1297 CD2 PHE A 86 -7.567 -10.979 8.108 1.00 41.34 C ATOM 1298 CE1 PHE A 86 -5.981 -13.223 8.004 1.00 24.35 C ATOM 1299 CE2 PHE A 86 -6.176 -10.882 7.836 1.00 14.12 C ATOM 1300 CZ PHE A 86 -5.413 -12.006 7.790 1.00 24.34 C ATOM 0 H PHE A 86 -11.927 -12.730 9.130 1.00 50.23 H new ATOM 0 HA PHE A 86 -9.623 -14.403 9.206 1.00 52.01 H new ATOM 0 HB2 PHE A 86 -10.168 -12.431 7.673 1.00 20.13 H new ATOM 0 HB3 PHE A 86 -9.975 -11.360 9.047 1.00 20.13 H new ATOM 0 HD1 PHE A 86 -7.822 -14.287 8.446 1.00 60.21 H new ATOM 0 HD2 PHE A 86 -8.173 -10.086 8.145 1.00 41.34 H new ATOM 0 HE1 PHE A 86 -5.375 -14.116 7.967 1.00 24.35 H new ATOM 0 HE2 PHE A 86 -5.725 -9.916 7.666 1.00 14.12 H new ATOM 0 HZ PHE A 86 -4.355 -11.933 7.583 1.00 24.34 H new ATOM 1310 N LEU A 87 -10.234 -12.671 11.830 1.00 35.20 N ATOM 1311 CA LEU A 87 -9.794 -12.363 13.180 1.00 44.22 C ATOM 1312 C LEU A 87 -9.714 -13.656 13.994 1.00 73.04 C ATOM 1313 O LEU A 87 -8.636 -14.050 14.435 1.00 32.54 O ATOM 1314 CB LEU A 87 -10.693 -11.296 13.807 1.00 53.13 C ATOM 1315 CG LEU A 87 -10.498 -11.049 15.304 1.00 21.10 C ATOM 1316 CD1 LEU A 87 -9.109 -10.474 15.588 1.00 12.42 C ATOM 1317 CD2 LEU A 87 -11.612 -10.161 15.863 1.00 24.53 C ATOM 0 H LEU A 87 -11.217 -12.470 11.646 1.00 35.20 H new ATOM 0 HA LEU A 87 -8.792 -11.933 13.165 1.00 44.22 H new ATOM 0 HB2 LEU A 87 -10.530 -10.356 13.280 1.00 53.13 H new ATOM 0 HB3 LEU A 87 -11.732 -11.580 13.638 1.00 53.13 H new ATOM 0 HG LEU A 87 -10.561 -12.007 15.820 1.00 21.10 H new ATOM 0 HD11 LEU A 87 -8.996 -10.308 16.659 1.00 12.42 H new ATOM 0 HD12 LEU A 87 -8.348 -11.176 15.248 1.00 12.42 H new ATOM 0 HD13 LEU A 87 -8.992 -9.528 15.060 1.00 12.42 H new ATOM 0 HD21 LEU A 87 -11.449 -10.001 16.929 1.00 24.53 H new ATOM 0 HD22 LEU A 87 -11.606 -9.201 15.347 1.00 24.53 H new ATOM 0 HD23 LEU A 87 -12.576 -10.648 15.712 1.00 24.53 H new ATOM 1329 N LYS A 88 -10.870 -14.280 14.167 1.00 30.21 N ATOM 1330 CA LYS A 88 -10.945 -15.521 14.920 1.00 0.31 C ATOM 1331 C LYS A 88 -10.091 -16.585 14.228 1.00 40.22 C ATOM 1332 O LYS A 88 -9.697 -17.571 14.849 1.00 11.42 O ATOM 1333 CB LYS A 88 -12.403 -15.938 15.122 1.00 52.24 C ATOM 1334 CG LYS A 88 -12.877 -15.607 16.538 1.00 32.23 C ATOM 1335 CD LYS A 88 -13.099 -16.883 17.354 1.00 53.33 C ATOM 1336 CE LYS A 88 -14.271 -17.693 16.795 1.00 25.44 C ATOM 1337 NZ LYS A 88 -15.501 -16.872 16.765 1.00 73.04 N ATOM 0 H LYS A 88 -11.762 -13.950 13.799 1.00 30.21 H new ATOM 0 HA LYS A 88 -10.535 -15.385 15.921 1.00 0.31 H new ATOM 0 HB2 LYS A 88 -13.035 -15.428 14.395 1.00 52.24 H new ATOM 0 HB3 LYS A 88 -12.507 -17.008 14.940 1.00 52.24 H new ATOM 0 HG2 LYS A 88 -12.139 -14.977 17.035 1.00 32.23 H new ATOM 0 HG3 LYS A 88 -13.804 -15.035 16.491 1.00 32.23 H new ATOM 0 HD2 LYS A 88 -12.194 -17.490 17.341 1.00 53.33 H new ATOM 0 HD3 LYS A 88 -13.294 -16.624 18.395 1.00 53.33 H new ATOM 0 HE2 LYS A 88 -14.034 -18.040 15.789 1.00 25.44 H new ATOM 0 HE3 LYS A 88 -14.433 -18.579 17.408 1.00 25.44 H new ATOM 0 HZ1 LYS A 88 -16.331 -17.493 16.681 1.00 73.04 H new ATOM 0 HZ2 LYS A 88 -15.570 -16.318 17.642 1.00 73.04 H new ATOM 0 HZ3 LYS A 88 -15.468 -16.227 15.950 1.00 73.04 H new ATOM 1350 N ALA A 89 -9.830 -16.349 12.950 1.00 21.34 N ATOM 1351 CA ALA A 89 -9.030 -17.275 12.167 1.00 22.30 C ATOM 1352 C ALA A 89 -7.592 -17.270 12.691 1.00 34.11 C ATOM 1353 O ALA A 89 -6.891 -18.276 12.600 1.00 61.44 O ATOM 1354 CB ALA A 89 -9.112 -16.896 10.687 1.00 12.21 C ATOM 0 H ALA A 89 -10.158 -15.530 12.438 1.00 21.34 H new ATOM 0 HA ALA A 89 -9.413 -18.291 12.265 1.00 22.30 H new ATOM 0 HB1 ALA A 89 -8.512 -17.591 10.100 1.00 12.21 H new ATOM 0 HB2 ALA A 89 -10.150 -16.943 10.356 1.00 12.21 H new ATOM 0 HB3 ALA A 89 -8.733 -15.883 10.549 1.00 12.21 H new ATOM 1360 N GLY A 90 -7.197 -16.126 13.229 1.00 45.22 N ATOM 1361 CA GLY A 90 -5.855 -15.976 13.768 1.00 73.44 C ATOM 1362 C GLY A 90 -5.890 -15.824 15.290 1.00 43.44 C ATOM 1363 O GLY A 90 -5.498 -16.734 16.018 1.00 63.45 O ATOM 0 H GLY A 90 -7.782 -15.294 13.304 1.00 45.22 H new ATOM 0 HA2 GLY A 90 -5.252 -16.843 13.499 1.00 73.44 H new ATOM 0 HA3 GLY A 90 -5.376 -15.104 13.323 1.00 73.44 H new ATOM 1367 N ASP A 91 -6.362 -14.665 15.726 1.00 74.25 N ATOM 1368 CA ASP A 91 -6.453 -14.381 17.148 1.00 71.43 C ATOM 1369 C ASP A 91 -7.088 -15.576 17.862 1.00 12.03 C ATOM 1370 O ASP A 91 -8.207 -15.974 17.540 1.00 44.31 O ATOM 1371 CB ASP A 91 -7.328 -13.154 17.410 1.00 60.03 C ATOM 1372 CG ASP A 91 -6.905 -12.302 18.608 1.00 31.44 C ATOM 1373 OD1 ASP A 91 -5.731 -12.299 19.007 1.00 30.43 O ATOM 1374 OD2 ASP A 91 -7.852 -11.611 19.147 1.00 22.32 O ATOM 0 H ASP A 91 -6.685 -13.912 15.119 1.00 74.25 H new ATOM 0 HA ASP A 91 -5.446 -14.191 17.519 1.00 71.43 H new ATOM 0 HB2 ASP A 91 -7.325 -12.527 16.518 1.00 60.03 H new ATOM 0 HB3 ASP A 91 -8.355 -13.485 17.563 1.00 60.03 H new ATOM 1380 N SER A 92 -6.347 -16.115 18.819 1.00 11.33 N ATOM 1381 CA SER A 92 -6.824 -17.256 19.582 1.00 2.21 C ATOM 1382 C SER A 92 -7.356 -16.792 20.940 1.00 62.33 C ATOM 1383 O SER A 92 -8.008 -17.498 21.683 1.00 14.25 O ATOM 1384 CB SER A 92 -5.715 -18.293 19.772 1.00 13.15 C ATOM 1385 OG SER A 92 -5.736 -19.290 18.754 1.00 0.51 O ATOM 0 H SER A 92 -5.420 -15.783 19.083 1.00 11.33 H new ATOM 0 HA SER A 92 -7.633 -17.727 19.024 1.00 2.21 H new ATOM 0 HB2 SER A 92 -4.747 -17.793 19.769 1.00 13.15 H new ATOM 0 HB3 SER A 92 -5.826 -18.768 20.747 1.00 13.15 H new ATOM 0 HG SER A 92 -5.012 -19.932 18.910 1.00 0.51 H new ATOM 1391 N ASP A 93 -7.058 -15.563 21.258 1.00 54.44 N ATOM 1392 CA ASP A 93 -7.524 -14.991 22.552 1.00 11.53 C ATOM 1393 C ASP A 93 -8.743 -14.092 22.319 1.00 2.53 C ATOM 1394 O ASP A 93 -9.395 -13.741 23.301 1.00 14.41 O ATOM 1395 CB ASP A 93 -6.342 -14.170 23.070 1.00 15.30 C ATOM 1396 CG ASP A 93 -6.235 -12.868 22.274 1.00 74.45 C ATOM 1397 OD1 ASP A 93 -5.706 -11.909 22.811 1.00 15.22 O ATOM 1398 OD2 ASP A 93 -6.685 -12.851 21.139 1.00 10.13 O ATOM 0 H ASP A 93 -6.511 -14.929 20.676 1.00 54.44 H new ATOM 0 HA ASP A 93 -7.826 -15.761 23.262 1.00 11.53 H new ATOM 0 HB2 ASP A 93 -6.475 -13.951 24.129 1.00 15.30 H new ATOM 0 HB3 ASP A 93 -5.419 -14.743 22.976 1.00 15.30 H new ATOM 1403 N GLY A 94 -9.018 -13.742 21.071 1.00 0.03 N ATOM 1404 CA GLY A 94 -10.153 -12.887 20.766 1.00 20.54 C ATOM 1405 C GLY A 94 -10.121 -11.611 21.610 1.00 61.40 C ATOM 1406 O GLY A 94 -11.090 -11.293 22.297 1.00 1.04 O ATOM 0 H GLY A 94 -8.474 -14.035 20.259 1.00 0.03 H new ATOM 0 HA2 GLY A 94 -10.143 -12.627 19.707 1.00 20.54 H new ATOM 0 HA3 GLY A 94 -11.081 -13.428 20.953 1.00 20.54 H new ATOM 1410 N ASP A 95 -8.996 -10.915 21.530 1.00 74.32 N ATOM 1411 CA ASP A 95 -8.825 -9.681 22.277 1.00 34.14 C ATOM 1412 C ASP A 95 -9.152 -8.492 21.372 1.00 40.12 C ATOM 1413 O ASP A 95 -9.488 -7.412 21.856 1.00 62.21 O ATOM 1414 CB ASP A 95 -7.382 -9.525 22.760 1.00 30.22 C ATOM 1415 CG ASP A 95 -6.331 -9.472 21.650 1.00 41.42 C ATOM 1416 OD1 ASP A 95 -6.526 -10.026 20.558 1.00 55.11 O ATOM 1417 OD2 ASP A 95 -5.259 -8.818 21.945 1.00 25.23 O ATOM 0 H ASP A 95 -8.194 -11.183 20.959 1.00 74.32 H new ATOM 0 HA ASP A 95 -9.492 -9.713 23.138 1.00 34.14 H new ATOM 0 HB2 ASP A 95 -7.310 -8.613 23.352 1.00 30.22 H new ATOM 0 HB3 ASP A 95 -7.145 -10.356 23.424 1.00 30.22 H new ATOM 1423 N GLY A 96 -9.042 -8.730 20.073 1.00 30.32 N ATOM 1424 CA GLY A 96 -9.321 -7.692 19.095 1.00 35.44 C ATOM 1425 C GLY A 96 -8.070 -7.352 18.285 1.00 44.45 C ATOM 1426 O GLY A 96 -8.139 -6.595 17.317 1.00 10.35 O ATOM 0 H GLY A 96 -8.763 -9.627 19.675 1.00 30.32 H new ATOM 0 HA2 GLY A 96 -10.114 -8.023 18.424 1.00 35.44 H new ATOM 0 HA3 GLY A 96 -9.685 -6.798 19.602 1.00 35.44 H new ATOM 1430 N LYS A 97 -6.954 -7.927 18.709 1.00 40.24 N ATOM 1431 CA LYS A 97 -5.688 -7.693 18.034 1.00 74.51 C ATOM 1432 C LYS A 97 -5.088 -9.034 17.606 1.00 35.53 C ATOM 1433 O LYS A 97 -5.349 -10.062 18.230 1.00 71.21 O ATOM 1434 CB LYS A 97 -4.758 -6.856 18.914 1.00 32.54 C ATOM 1435 CG LYS A 97 -5.506 -5.673 19.532 1.00 21.11 C ATOM 1436 CD LYS A 97 -4.535 -4.708 20.216 1.00 35.23 C ATOM 1437 CE LYS A 97 -3.988 -5.309 21.512 1.00 3.14 C ATOM 1438 NZ LYS A 97 -2.725 -4.642 21.900 1.00 44.34 N ATOM 0 H LYS A 97 -6.900 -8.554 19.511 1.00 40.24 H new ATOM 0 HA LYS A 97 -5.842 -7.108 17.127 1.00 74.51 H new ATOM 0 HB2 LYS A 97 -4.340 -7.480 19.704 1.00 32.54 H new ATOM 0 HB3 LYS A 97 -3.920 -6.491 18.320 1.00 32.54 H new ATOM 0 HG2 LYS A 97 -6.063 -5.146 18.758 1.00 21.11 H new ATOM 0 HG3 LYS A 97 -6.234 -6.037 20.257 1.00 21.11 H new ATOM 0 HD2 LYS A 97 -3.710 -4.477 19.542 1.00 35.23 H new ATOM 0 HD3 LYS A 97 -5.043 -3.768 20.433 1.00 35.23 H new ATOM 0 HE2 LYS A 97 -4.723 -5.200 22.309 1.00 3.14 H new ATOM 0 HE3 LYS A 97 -3.816 -6.377 21.380 1.00 3.14 H new ATOM 0 HZ1 LYS A 97 -2.637 -4.640 22.936 1.00 44.34 H new ATOM 0 HZ2 LYS A 97 -1.920 -5.154 21.485 1.00 44.34 H new ATOM 0 HZ3 LYS A 97 -2.729 -3.662 21.551 1.00 44.34 H new ATOM 1451 N ILE A 98 -4.296 -8.981 16.546 1.00 54.34 N ATOM 1452 CA ILE A 98 -3.657 -10.178 16.027 1.00 34.43 C ATOM 1453 C ILE A 98 -2.148 -9.946 15.935 1.00 60.44 C ATOM 1454 O ILE A 98 -1.681 -9.212 15.065 1.00 74.32 O ATOM 1455 CB ILE A 98 -4.298 -10.597 14.702 1.00 1.33 C ATOM 1456 CG1 ILE A 98 -5.560 -11.428 14.942 1.00 51.23 C ATOM 1457 CG2 ILE A 98 -3.290 -11.328 13.813 1.00 52.00 C ATOM 1458 CD1 ILE A 98 -5.937 -12.224 13.691 1.00 33.41 C ATOM 0 H ILE A 98 -4.082 -8.127 16.032 1.00 54.34 H new ATOM 0 HA ILE A 98 -3.810 -11.017 16.706 1.00 34.43 H new ATOM 0 HB ILE A 98 -4.603 -9.696 14.170 1.00 1.33 H new ATOM 0 HG12 ILE A 98 -5.398 -12.110 15.776 1.00 51.23 H new ATOM 0 HG13 ILE A 98 -6.384 -10.772 15.222 1.00 51.23 H new ATOM 0 HG21 ILE A 98 -3.771 -11.615 12.878 1.00 52.00 H new ATOM 0 HG22 ILE A 98 -2.447 -10.670 13.601 1.00 52.00 H new ATOM 0 HG23 ILE A 98 -2.933 -12.221 14.326 1.00 52.00 H new ATOM 0 HD11 ILE A 98 -6.837 -12.806 13.888 1.00 33.41 H new ATOM 0 HD12 ILE A 98 -6.122 -11.537 12.865 1.00 33.41 H new ATOM 0 HD13 ILE A 98 -5.120 -12.896 13.428 1.00 33.41 H new ATOM 1470 N GLY A 99 -1.426 -10.586 16.843 1.00 13.12 N ATOM 1471 CA GLY A 99 0.021 -10.458 16.875 1.00 72.42 C ATOM 1472 C GLY A 99 0.671 -11.323 15.793 1.00 22.21 C ATOM 1473 O GLY A 99 -0.004 -11.788 14.876 1.00 44.44 O ATOM 0 H GLY A 99 -1.816 -11.195 17.562 1.00 13.12 H new ATOM 0 HA2 GLY A 99 0.301 -9.415 16.729 1.00 72.42 H new ATOM 0 HA3 GLY A 99 0.394 -10.754 17.855 1.00 72.42 H new ATOM 1477 N ILE A 100 1.975 -11.513 15.937 1.00 75.41 N ATOM 1478 CA ILE A 100 2.724 -12.314 14.984 1.00 74.25 C ATOM 1479 C ILE A 100 2.525 -13.797 15.302 1.00 34.43 C ATOM 1480 O ILE A 100 2.411 -14.621 14.396 1.00 54.12 O ATOM 1481 CB ILE A 100 4.191 -11.882 14.957 1.00 22.43 C ATOM 1482 CG1 ILE A 100 4.743 -11.902 13.530 1.00 11.53 C ATOM 1483 CG2 ILE A 100 5.031 -12.737 15.908 1.00 23.32 C ATOM 1484 CD1 ILE A 100 4.564 -13.280 12.892 1.00 63.51 C ATOM 0 H ILE A 100 2.531 -11.126 16.699 1.00 75.41 H new ATOM 0 HA ILE A 100 2.350 -12.152 13.973 1.00 74.25 H new ATOM 0 HB ILE A 100 4.250 -10.853 15.310 1.00 22.43 H new ATOM 0 HG12 ILE A 100 4.233 -11.150 12.928 1.00 11.53 H new ATOM 0 HG13 ILE A 100 5.800 -11.637 13.542 1.00 11.53 H new ATOM 0 HG21 ILE A 100 6.070 -12.410 15.870 1.00 23.32 H new ATOM 0 HG22 ILE A 100 4.653 -12.628 16.925 1.00 23.32 H new ATOM 0 HG23 ILE A 100 4.969 -13.783 15.608 1.00 23.32 H new ATOM 0 HD11 ILE A 100 4.965 -13.266 11.878 1.00 63.51 H new ATOM 0 HD12 ILE A 100 5.096 -14.026 13.482 1.00 63.51 H new ATOM 0 HD13 ILE A 100 3.504 -13.531 12.860 1.00 63.51 H new ATOM 1496 N ASP A 101 2.489 -14.093 16.593 1.00 10.33 N ATOM 1497 CA ASP A 101 2.306 -15.462 17.043 1.00 33.20 C ATOM 1498 C ASP A 101 0.878 -15.912 16.726 1.00 11.33 C ATOM 1499 O ASP A 101 0.588 -17.107 16.714 1.00 12.13 O ATOM 1500 CB ASP A 101 2.514 -15.578 18.554 1.00 34.13 C ATOM 1501 CG ASP A 101 3.479 -14.554 19.155 1.00 54.12 C ATOM 1502 OD1 ASP A 101 3.098 -13.745 20.014 1.00 20.12 O ATOM 1503 OD2 ASP A 101 4.684 -14.608 18.699 1.00 22.41 O ATOM 0 H ASP A 101 2.584 -13.407 17.342 1.00 10.33 H new ATOM 0 HA ASP A 101 3.038 -16.086 16.530 1.00 33.20 H new ATOM 0 HB2 ASP A 101 1.547 -15.477 19.047 1.00 34.13 H new ATOM 0 HB3 ASP A 101 2.883 -16.579 18.779 1.00 34.13 H new ATOM 1509 N GLU A 102 0.024 -14.930 16.478 1.00 50.34 N ATOM 1510 CA GLU A 102 -1.367 -15.209 16.162 1.00 65.13 C ATOM 1511 C GLU A 102 -1.589 -15.151 14.649 1.00 31.41 C ATOM 1512 O GLU A 102 -2.328 -15.964 14.095 1.00 24.54 O ATOM 1513 CB GLU A 102 -2.300 -14.240 16.891 1.00 62.35 C ATOM 1514 CG GLU A 102 -2.617 -14.741 18.301 1.00 31.10 C ATOM 1515 CD GLU A 102 -2.835 -13.571 19.262 1.00 14.22 C ATOM 1516 OE1 GLU A 102 -3.828 -13.636 20.019 1.00 0.21 O ATOM 1517 OE2 GLU A 102 -2.005 -12.638 19.218 1.00 4.13 O ATOM 0 H GLU A 102 0.268 -13.940 16.489 1.00 50.34 H new ATOM 0 HA GLU A 102 -1.603 -16.216 16.506 1.00 65.13 H new ATOM 0 HB2 GLU A 102 -1.836 -13.255 16.947 1.00 62.35 H new ATOM 0 HB3 GLU A 102 -3.225 -14.125 16.326 1.00 62.35 H new ATOM 0 HG2 GLU A 102 -3.509 -15.367 18.276 1.00 31.10 H new ATOM 0 HG3 GLU A 102 -1.799 -15.365 18.662 1.00 31.10 H new ATOM 1524 N PHE A 103 -0.937 -14.183 14.024 1.00 41.44 N ATOM 1525 CA PHE A 103 -1.054 -14.008 12.586 1.00 73.21 C ATOM 1526 C PHE A 103 -0.238 -15.064 11.837 1.00 12.20 C ATOM 1527 O PHE A 103 -0.553 -15.403 10.697 1.00 23.44 O ATOM 1528 CB PHE A 103 -0.497 -12.622 12.256 1.00 14.15 C ATOM 1529 CG PHE A 103 -0.201 -12.407 10.771 1.00 64.41 C ATOM 1530 CD1 PHE A 103 1.081 -12.459 10.319 1.00 21.20 C ATOM 1531 CD2 PHE A 103 -1.219 -12.165 9.902 1.00 4.12 C ATOM 1532 CE1 PHE A 103 1.356 -12.260 8.940 1.00 25.14 C ATOM 1533 CE2 PHE A 103 -0.943 -11.966 8.523 1.00 12.35 C ATOM 1534 CZ PHE A 103 0.339 -12.017 8.072 1.00 74.53 C ATOM 0 H PHE A 103 -0.325 -13.511 14.487 1.00 41.44 H new ATOM 0 HA PHE A 103 -2.096 -14.110 12.283 1.00 73.21 H new ATOM 0 HB2 PHE A 103 -1.210 -11.867 12.587 1.00 14.15 H new ATOM 0 HB3 PHE A 103 0.419 -12.465 12.825 1.00 14.15 H new ATOM 0 HD1 PHE A 103 1.889 -12.652 11.009 1.00 21.20 H new ATOM 0 HD2 PHE A 103 -2.237 -12.124 10.260 1.00 4.12 H new ATOM 0 HE1 PHE A 103 2.374 -12.302 8.581 1.00 25.14 H new ATOM 0 HE2 PHE A 103 -1.751 -11.774 7.833 1.00 12.35 H new ATOM 0 HZ PHE A 103 0.549 -11.864 7.024 1.00 74.53 H new ATOM 1544 N ALA A 104 0.794 -15.553 12.508 1.00 31.41 N ATOM 1545 CA ALA A 104 1.658 -16.563 11.920 1.00 35.54 C ATOM 1546 C ALA A 104 1.083 -17.951 12.211 1.00 71.40 C ATOM 1547 O ALA A 104 1.543 -18.947 11.654 1.00 41.20 O ATOM 1548 CB ALA A 104 3.079 -16.396 12.460 1.00 24.51 C ATOM 0 H ALA A 104 1.052 -15.269 13.453 1.00 31.41 H new ATOM 0 HA ALA A 104 1.705 -16.445 10.837 1.00 35.54 H new ATOM 0 HB1 ALA A 104 3.727 -17.153 12.019 1.00 24.51 H new ATOM 0 HB2 ALA A 104 3.452 -15.405 12.202 1.00 24.51 H new ATOM 0 HB3 ALA A 104 3.072 -16.511 13.544 1.00 24.51 H new ATOM 1554 N ALA A 105 0.085 -17.973 13.083 1.00 64.13 N ATOM 1555 CA ALA A 105 -0.557 -19.222 13.454 1.00 30.40 C ATOM 1556 C ALA A 105 -1.542 -19.630 12.357 1.00 72.13 C ATOM 1557 O ALA A 105 -1.468 -20.740 11.832 1.00 33.22 O ATOM 1558 CB ALA A 105 -1.235 -19.063 14.816 1.00 2.13 C ATOM 0 H ALA A 105 -0.294 -17.145 13.543 1.00 64.13 H new ATOM 0 HA ALA A 105 0.181 -20.019 13.548 1.00 30.40 H new ATOM 0 HB1 ALA A 105 -1.717 -20.000 15.094 1.00 2.13 H new ATOM 0 HB2 ALA A 105 -0.488 -18.802 15.566 1.00 2.13 H new ATOM 0 HB3 ALA A 105 -1.984 -18.273 14.760 1.00 2.13 H new ATOM 1564 N MET A 106 -2.442 -18.710 12.042 1.00 11.11 N ATOM 1565 CA MET A 106 -3.441 -18.960 11.017 1.00 41.43 C ATOM 1566 C MET A 106 -2.793 -19.498 9.740 1.00 62.24 C ATOM 1567 O MET A 106 -3.462 -20.116 8.913 1.00 42.03 O ATOM 1568 CB MET A 106 -4.186 -17.661 10.703 1.00 51.13 C ATOM 1569 CG MET A 106 -3.208 -16.541 10.340 1.00 20.53 C ATOM 1570 SD MET A 106 -4.004 -14.954 10.519 1.00 3.23 S ATOM 1571 CE MET A 106 -5.661 -15.378 10.009 1.00 63.20 C ATOM 0 H MET A 106 -2.500 -17.790 12.479 1.00 11.11 H new ATOM 0 HA MET A 106 -4.139 -19.709 11.391 1.00 41.43 H new ATOM 0 HB2 MET A 106 -4.879 -17.825 9.878 1.00 51.13 H new ATOM 0 HB3 MET A 106 -4.783 -17.362 11.565 1.00 51.13 H new ATOM 0 HG2 MET A 106 -2.330 -16.591 10.984 1.00 20.53 H new ATOM 0 HG3 MET A 106 -2.860 -16.669 9.315 1.00 20.53 H new ATOM 0 HE1 MET A 106 -6.282 -14.483 10.010 1.00 63.20 H new ATOM 0 HE2 MET A 106 -5.636 -15.800 9.005 1.00 63.20 H new ATOM 0 HE3 MET A 106 -6.078 -16.110 10.700 1.00 63.20 H new ATOM 1581 N ILE A 107 -1.498 -19.244 9.619 1.00 71.42 N ATOM 1582 CA ILE A 107 -0.752 -19.696 8.456 1.00 12.04 C ATOM 1583 C ILE A 107 0.113 -20.896 8.846 1.00 60.22 C ATOM 1584 O ILE A 107 0.266 -21.835 8.066 1.00 74.11 O ATOM 1585 CB ILE A 107 0.041 -18.539 7.846 1.00 53.43 C ATOM 1586 CG1 ILE A 107 0.543 -17.585 8.932 1.00 55.44 C ATOM 1587 CG2 ILE A 107 -0.783 -17.812 6.780 1.00 24.12 C ATOM 1588 CD1 ILE A 107 1.407 -16.475 8.330 1.00 53.23 C ATOM 0 H ILE A 107 -0.946 -18.731 10.307 1.00 71.42 H new ATOM 0 HA ILE A 107 -1.432 -20.033 7.674 1.00 12.04 H new ATOM 0 HB ILE A 107 0.919 -18.951 7.349 1.00 53.43 H new ATOM 0 HG12 ILE A 107 -0.306 -17.146 9.456 1.00 55.44 H new ATOM 0 HG13 ILE A 107 1.121 -18.141 9.670 1.00 55.44 H new ATOM 0 HG21 ILE A 107 -0.196 -16.994 6.362 1.00 24.12 H new ATOM 0 HG22 ILE A 107 -1.049 -18.510 5.986 1.00 24.12 H new ATOM 0 HG23 ILE A 107 -1.691 -17.413 7.232 1.00 24.12 H new ATOM 0 HD11 ILE A 107 1.751 -15.811 9.123 1.00 53.23 H new ATOM 0 HD12 ILE A 107 2.268 -16.916 7.827 1.00 53.23 H new ATOM 0 HD13 ILE A 107 0.819 -15.906 7.610 1.00 53.23 H new ATOM 1600 N LYS A 108 0.657 -20.827 10.052 1.00 52.30 N ATOM 1601 CA LYS A 108 1.503 -21.896 10.554 1.00 13.03 C ATOM 1602 C LYS A 108 0.649 -23.141 10.804 1.00 63.12 C ATOM 1603 O LYS A 108 1.180 -24.235 10.987 1.00 62.54 O ATOM 1604 CB LYS A 108 2.283 -21.429 11.785 1.00 41.34 C ATOM 1605 CG LYS A 108 3.020 -22.597 12.443 1.00 43.24 C ATOM 1606 CD LYS A 108 4.268 -22.111 13.183 1.00 42.35 C ATOM 1607 CE LYS A 108 5.176 -23.284 13.556 1.00 31.33 C ATOM 1608 NZ LYS A 108 6.490 -22.793 14.027 1.00 64.32 N ATOM 0 H LYS A 108 0.528 -20.047 10.696 1.00 52.30 H new ATOM 0 HA LYS A 108 2.255 -22.167 9.813 1.00 13.03 H new ATOM 0 HB2 LYS A 108 2.999 -20.659 11.496 1.00 41.34 H new ATOM 0 HB3 LYS A 108 1.599 -20.975 12.503 1.00 41.34 H new ATOM 0 HG2 LYS A 108 2.354 -23.105 13.140 1.00 43.24 H new ATOM 0 HG3 LYS A 108 3.304 -23.326 11.684 1.00 43.24 H new ATOM 0 HD2 LYS A 108 4.816 -21.407 12.556 1.00 42.35 H new ATOM 0 HD3 LYS A 108 3.974 -21.573 14.084 1.00 42.35 H new ATOM 0 HE2 LYS A 108 4.705 -23.883 14.335 1.00 31.33 H new ATOM 0 HE3 LYS A 108 5.313 -23.935 12.692 1.00 31.33 H new ATOM 0 HZ1 LYS A 108 7.094 -23.602 14.276 1.00 64.32 H new ATOM 0 HZ2 LYS A 108 6.945 -22.241 13.272 1.00 64.32 H new ATOM 0 HZ3 LYS A 108 6.356 -22.191 14.864 1.00 64.32 H new ATOM 1621 N GLY A 109 -0.659 -22.932 10.803 1.00 31.44 N ATOM 1622 CA GLY A 109 -1.591 -24.024 11.027 1.00 32.34 C ATOM 1623 C GLY A 109 -2.945 -23.499 11.509 1.00 73.32 C ATOM 1624 O GLY A 109 -3.952 -24.201 11.425 1.00 12.33 O ATOM 0 H GLY A 109 -1.096 -22.023 10.651 1.00 31.44 H new ATOM 0 HA2 GLY A 109 -1.724 -24.589 10.104 1.00 32.34 H new ATOM 0 HA3 GLY A 109 -1.180 -24.712 11.766 1.00 32.34 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 0.935 -2.537 12.773 1.00 70.31 CA HETATM 1630 CA CA A 202 -3.796 -10.829 20.490 1.00 50.24 CA