USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 693 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 83 LYS NZ :NH3+ -129:sc= 1.04 (180deg=-0.273) USER MOD Set 1.2: A 84 TYR OH : rot -176:sc= 0.634 USER MOD Set 2.1: A 29 SER OG : rot -67:sc= 1.35! USER MOD Set 2.2: A 30 HIS : no HE2:sc= -0.327 K(o=1,f=-10!) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.275 X(o=0.067,f=-0.2) USER MOD Set 3.2: A 70 MET CE :methyl 172:sc= -0.209 (180deg=-0.197) USER MOD Single : A 1 SER N :NH3+ 161:sc= 0.347 (180deg=0.0976) USER MOD Single : A 1 SER OG : rot 180:sc= 0.104 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= -0.847! (180deg=-0.907!) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.248 (180deg=-0.96) USER MOD Single : A 14 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -4.33! (180deg=-6.26!) USER MOD Single : A 17 THR OG1 : rot 107:sc= 0.257 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -99:sc= 0.953! USER MOD Single : A 31 TYR OH : rot -27:sc= 0.979 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -5.58! C(o=-5.6!,f=-16!) USER MOD Single : A 35 THR OG1 : rot -96:sc= 1.13 USER MOD Single : A 40 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.0086) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.938 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= -3.23! (180deg=-4.56!) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 1.27 (180deg=0.498) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 0.884 (180deg=-0.32) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.82! C(o=-5.8!,f=-3.8!) USER MOD Single : A 62 LYS NZ :NH3+ 136:sc= 1.37 (180deg=0.394) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 100:sc= 0.825 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.0786 (180deg=-0.609) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.591 (180deg=0.18) USER MOD Single : A 73 TYR OH : rot 78:sc= -0.778 USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= -2.35! (180deg=-7.27!) USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= 0.468 (180deg=-3.77!) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -1.27! (180deg=-2.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.185 3.428 -8.951 1.00 2.78 N ATOM 2 CA SER A 1 5.875 2.806 -7.775 1.00 1.93 C ATOM 3 C SER A 1 7.006 3.699 -7.258 1.00 2.10 C ATOM 4 O SER A 1 8.143 3.544 -7.647 1.00 2.81 O ATOM 5 CB SER A 1 6.450 1.459 -8.232 1.00 3.15 C ATOM 6 OG SER A 1 5.292 0.891 -8.838 1.00 3.55 O ATOM 0 H1 SER A 1 4.661 2.697 -9.473 1.00 2.78 H new ATOM 0 H2 SER A 1 4.522 4.158 -8.619 1.00 2.78 H new ATOM 0 H3 SER A 1 5.892 3.862 -9.578 1.00 2.78 H new ATOM 0 HA SER A 1 5.162 2.675 -6.961 1.00 1.93 H new ATOM 0 HB2 SER A 1 7.275 1.575 -8.935 1.00 3.15 H new ATOM 0 HB3 SER A 1 6.822 0.860 -7.400 1.00 3.15 H new ATOM 0 HG SER A 1 5.509 0.002 -9.189 1.00 3.55 H new ATOM 14 N GLN A 2 6.640 4.610 -6.393 1.00 1.65 N ATOM 15 CA GLN A 2 7.627 5.565 -5.795 1.00 1.90 C ATOM 16 C GLN A 2 8.092 5.116 -4.393 1.00 1.54 C ATOM 17 O GLN A 2 7.813 4.032 -3.924 1.00 1.53 O ATOM 18 CB GLN A 2 6.884 6.933 -5.643 1.00 2.12 C ATOM 19 CG GLN A 2 5.684 6.736 -4.628 1.00 0.93 C ATOM 20 CD GLN A 2 4.907 8.008 -4.372 1.00 0.80 C ATOM 21 OE1 GLN A 2 3.847 7.988 -3.792 1.00 1.85 O ATOM 22 NE2 GLN A 2 5.368 9.141 -4.770 1.00 1.02 N ATOM 0 H GLN A 2 5.681 4.736 -6.069 1.00 1.65 H new ATOM 0 HA GLN A 2 8.507 5.622 -6.436 1.00 1.90 H new ATOM 0 HB2 GLN A 2 7.569 7.699 -5.278 1.00 2.12 H new ATOM 0 HB3 GLN A 2 6.512 7.273 -6.610 1.00 2.12 H new ATOM 0 HG2 GLN A 2 5.007 5.976 -5.019 1.00 0.93 H new ATOM 0 HG3 GLN A 2 6.074 6.359 -3.682 1.00 0.93 H new ATOM 0 HE21 GLN A 2 6.261 9.184 -5.262 1.00 1.02 H new ATOM 0 HE22 GLN A 2 4.841 9.996 -4.594 1.00 1.02 H new ATOM 31 N ALA A 3 8.802 6.019 -3.784 1.00 1.45 N ATOM 32 CA ALA A 3 9.376 5.835 -2.420 1.00 1.21 C ATOM 33 C ALA A 3 8.480 6.509 -1.360 1.00 0.72 C ATOM 34 O ALA A 3 7.272 6.543 -1.488 1.00 0.84 O ATOM 35 CB ALA A 3 10.662 6.638 -2.521 1.00 1.48 C ATOM 0 H ALA A 3 9.020 6.926 -4.198 1.00 1.45 H new ATOM 0 HA ALA A 3 9.491 4.789 -2.137 1.00 1.21 H new ATOM 0 HB1 ALA A 3 11.196 6.590 -1.572 1.00 1.48 H new ATOM 0 HB2 ALA A 3 11.288 6.224 -3.311 1.00 1.48 H new ATOM 0 HB3 ALA A 3 10.425 7.677 -2.752 1.00 1.48 H new ATOM 41 N GLU A 4 9.085 7.052 -0.333 1.00 0.43 N ATOM 42 CA GLU A 4 8.288 7.732 0.729 1.00 0.11 C ATOM 43 C GLU A 4 8.390 9.211 0.385 1.00 0.09 C ATOM 44 O GLU A 4 8.185 10.069 1.206 1.00 0.11 O ATOM 45 CB GLU A 4 8.899 7.521 2.127 1.00 0.49 C ATOM 46 CG GLU A 4 10.405 7.867 2.138 1.00 0.73 C ATOM 47 CD GLU A 4 11.198 6.577 1.951 1.00 0.35 C ATOM 48 OE1 GLU A 4 11.395 5.952 2.979 1.00 1.12 O ATOM 49 OE2 GLU A 4 11.522 6.320 0.805 1.00 1.30 O ATOM 0 H GLU A 4 10.094 7.053 -0.186 1.00 0.43 H new ATOM 0 HA GLU A 4 7.269 7.345 0.760 1.00 0.11 H new ATOM 0 HB2 GLU A 4 8.375 8.143 2.853 1.00 0.49 H new ATOM 0 HB3 GLU A 4 8.759 6.485 2.435 1.00 0.49 H new ATOM 0 HG2 GLU A 4 10.637 8.574 1.341 1.00 0.73 H new ATOM 0 HG3 GLU A 4 10.677 8.346 3.078 1.00 0.73 H new ATOM 56 N PHE A 5 8.727 9.485 -0.834 1.00 0.18 N ATOM 57 CA PHE A 5 8.869 10.875 -1.327 1.00 0.28 C ATOM 58 C PHE A 5 7.761 11.779 -0.798 1.00 0.33 C ATOM 59 O PHE A 5 7.991 12.825 -0.234 1.00 0.34 O ATOM 60 CB PHE A 5 8.693 10.704 -2.799 1.00 0.20 C ATOM 61 CG PHE A 5 8.387 12.009 -3.519 1.00 0.17 C ATOM 62 CD1 PHE A 5 9.375 12.865 -3.897 1.00 1.01 C ATOM 63 CD2 PHE A 5 7.093 12.317 -3.816 1.00 0.78 C ATOM 64 CE1 PHE A 5 9.095 14.024 -4.577 1.00 0.98 C ATOM 65 CE2 PHE A 5 6.775 13.456 -4.488 1.00 0.83 C ATOM 66 CZ PHE A 5 7.774 14.314 -4.873 1.00 0.08 C ATOM 0 H PHE A 5 8.918 8.773 -1.539 1.00 0.18 H new ATOM 0 HA PHE A 5 9.809 11.334 -1.021 1.00 0.28 H new ATOM 0 HB2 PHE A 5 9.599 10.268 -3.219 1.00 0.20 H new ATOM 0 HB3 PHE A 5 7.884 9.996 -2.982 1.00 0.20 H new ATOM 0 HD1 PHE A 5 10.401 12.627 -3.657 1.00 1.01 H new ATOM 0 HD2 PHE A 5 6.305 11.644 -3.512 1.00 0.78 H new ATOM 0 HE1 PHE A 5 9.887 14.695 -4.874 1.00 0.98 H new ATOM 0 HE2 PHE A 5 5.744 13.683 -4.717 1.00 0.83 H new ATOM 0 HZ PHE A 5 7.529 15.219 -5.409 1.00 0.08 H new ATOM 76 N ASP A 6 6.568 11.307 -1.000 1.00 0.33 N ATOM 77 CA ASP A 6 5.380 12.057 -0.557 1.00 0.29 C ATOM 78 C ASP A 6 5.363 12.197 0.949 1.00 0.20 C ATOM 79 O ASP A 6 4.858 13.151 1.499 1.00 0.10 O ATOM 80 CB ASP A 6 4.200 11.426 -1.202 1.00 0.34 C ATOM 81 CG ASP A 6 4.000 12.066 -2.566 1.00 0.26 C ATOM 82 OD1 ASP A 6 3.809 13.270 -2.586 1.00 0.81 O ATOM 83 OD2 ASP A 6 4.063 11.312 -3.513 1.00 0.95 O ATOM 0 H ASP A 6 6.368 10.419 -1.461 1.00 0.33 H new ATOM 0 HA ASP A 6 5.379 13.098 -0.880 1.00 0.29 H new ATOM 0 HB2 ASP A 6 4.354 10.352 -1.306 1.00 0.34 H new ATOM 0 HB3 ASP A 6 3.312 11.563 -0.585 1.00 0.34 H new ATOM 88 N LYS A 7 5.960 11.220 1.564 1.00 0.23 N ATOM 89 CA LYS A 7 6.006 11.263 3.037 1.00 0.14 C ATOM 90 C LYS A 7 7.019 12.348 3.393 1.00 0.20 C ATOM 91 O LYS A 7 6.858 13.128 4.306 1.00 0.27 O ATOM 92 CB LYS A 7 6.455 9.939 3.591 1.00 0.16 C ATOM 93 CG LYS A 7 6.053 9.935 5.088 1.00 0.29 C ATOM 94 CD LYS A 7 6.573 8.648 5.796 1.00 1.02 C ATOM 95 CE LYS A 7 7.280 9.040 7.098 1.00 1.72 C ATOM 96 NZ LYS A 7 8.386 9.952 6.675 1.00 2.35 N ATOM 0 H LYS A 7 6.405 10.416 1.121 1.00 0.23 H new ATOM 0 HA LYS A 7 5.022 11.473 3.457 1.00 0.14 H new ATOM 0 HB2 LYS A 7 5.981 9.114 3.059 1.00 0.16 H new ATOM 0 HB3 LYS A 7 7.532 9.815 3.477 1.00 0.16 H new ATOM 0 HG2 LYS A 7 6.461 10.817 5.581 1.00 0.29 H new ATOM 0 HG3 LYS A 7 4.968 9.992 5.178 1.00 0.29 H new ATOM 0 HD2 LYS A 7 5.743 7.974 6.008 1.00 1.02 H new ATOM 0 HD3 LYS A 7 7.260 8.111 5.142 1.00 1.02 H new ATOM 0 HE2 LYS A 7 6.596 9.540 7.784 1.00 1.72 H new ATOM 0 HE3 LYS A 7 7.667 8.163 7.617 1.00 1.72 H new ATOM 0 HZ1 LYS A 7 8.907 10.278 7.514 1.00 2.35 H new ATOM 0 HZ2 LYS A 7 9.034 9.442 6.041 1.00 2.35 H new ATOM 0 HZ3 LYS A 7 7.988 10.772 6.175 1.00 2.35 H new ATOM 110 N ALA A 8 8.077 12.340 2.634 1.00 0.20 N ATOM 111 CA ALA A 8 9.156 13.342 2.840 1.00 0.24 C ATOM 112 C ALA A 8 8.424 14.672 2.746 1.00 0.23 C ATOM 113 O ALA A 8 8.459 15.446 3.678 1.00 0.27 O ATOM 114 CB ALA A 8 10.257 13.112 1.811 1.00 0.31 C ATOM 0 H ALA A 8 8.241 11.678 1.875 1.00 0.20 H new ATOM 0 HA ALA A 8 9.683 13.288 3.792 1.00 0.24 H new ATOM 0 HB1 ALA A 8 11.051 13.844 1.958 1.00 0.31 H new ATOM 0 HB2 ALA A 8 10.663 12.108 1.931 1.00 0.31 H new ATOM 0 HB3 ALA A 8 9.845 13.219 0.807 1.00 0.31 H new ATOM 120 N ALA A 9 7.777 14.869 1.641 1.00 0.21 N ATOM 121 CA ALA A 9 6.998 16.115 1.397 1.00 0.23 C ATOM 122 C ALA A 9 6.112 16.401 2.625 1.00 0.26 C ATOM 123 O ALA A 9 6.151 17.462 3.213 1.00 0.34 O ATOM 124 CB ALA A 9 6.119 15.847 0.154 1.00 0.22 C ATOM 0 H ALA A 9 7.752 14.201 0.871 1.00 0.21 H new ATOM 0 HA ALA A 9 7.646 16.976 1.233 1.00 0.23 H new ATOM 0 HB1 ALA A 9 5.525 16.733 -0.069 1.00 0.22 H new ATOM 0 HB2 ALA A 9 6.756 15.613 -0.699 1.00 0.22 H new ATOM 0 HB3 ALA A 9 5.455 15.006 0.352 1.00 0.22 H new ATOM 130 N GLU A 10 5.358 15.395 2.969 1.00 0.25 N ATOM 131 CA GLU A 10 4.414 15.424 4.109 1.00 0.34 C ATOM 132 C GLU A 10 5.097 15.921 5.372 1.00 0.34 C ATOM 133 O GLU A 10 4.540 16.736 6.076 1.00 0.45 O ATOM 134 CB GLU A 10 3.876 14.003 4.233 1.00 0.37 C ATOM 135 CG GLU A 10 2.796 13.885 5.340 1.00 0.78 C ATOM 136 CD GLU A 10 1.620 13.029 4.858 1.00 0.72 C ATOM 137 OE1 GLU A 10 1.824 11.830 4.737 1.00 1.28 O ATOM 138 OE2 GLU A 10 0.595 13.656 4.645 1.00 1.77 O ATOM 0 H GLU A 10 5.364 14.505 2.472 1.00 0.25 H new ATOM 0 HA GLU A 10 3.593 16.123 3.950 1.00 0.34 H new ATOM 0 HB2 GLU A 10 3.452 13.691 3.278 1.00 0.37 H new ATOM 0 HB3 GLU A 10 4.698 13.322 4.454 1.00 0.37 H new ATOM 0 HG2 GLU A 10 3.232 13.442 6.235 1.00 0.78 H new ATOM 0 HG3 GLU A 10 2.441 14.878 5.616 1.00 0.78 H new ATOM 145 N GLU A 11 6.277 15.446 5.627 1.00 0.25 N ATOM 146 CA GLU A 11 7.003 15.875 6.831 1.00 0.23 C ATOM 147 C GLU A 11 7.660 17.235 6.683 1.00 0.21 C ATOM 148 O GLU A 11 7.481 18.137 7.479 1.00 0.23 O ATOM 149 CB GLU A 11 8.112 14.898 7.060 1.00 0.35 C ATOM 150 CG GLU A 11 7.799 13.433 7.567 1.00 0.37 C ATOM 151 CD GLU A 11 9.102 12.763 8.063 1.00 0.72 C ATOM 152 OE1 GLU A 11 10.139 13.391 8.006 1.00 1.78 O ATOM 153 OE2 GLU A 11 9.043 11.624 8.499 1.00 1.06 O ATOM 0 H GLU A 11 6.770 14.771 5.042 1.00 0.25 H new ATOM 0 HA GLU A 11 6.279 15.927 7.644 1.00 0.23 H new ATOM 0 HB2 GLU A 11 8.657 14.804 6.121 1.00 0.35 H new ATOM 0 HB3 GLU A 11 8.794 15.349 7.781 1.00 0.35 H new ATOM 0 HG2 GLU A 11 7.066 13.466 8.373 1.00 0.37 H new ATOM 0 HG3 GLU A 11 7.360 12.845 6.761 1.00 0.37 H new ATOM 160 N VAL A 12 8.420 17.365 5.649 1.00 0.24 N ATOM 161 CA VAL A 12 9.132 18.625 5.381 1.00 0.24 C ATOM 162 C VAL A 12 8.173 19.812 5.490 1.00 0.21 C ATOM 163 O VAL A 12 8.479 20.852 6.041 1.00 0.20 O ATOM 164 CB VAL A 12 9.809 18.416 4.017 1.00 0.24 C ATOM 165 CG1 VAL A 12 9.028 19.003 2.873 1.00 0.23 C ATOM 166 CG2 VAL A 12 11.228 18.899 4.055 1.00 0.28 C ATOM 0 H VAL A 12 8.581 16.630 4.960 1.00 0.24 H new ATOM 0 HA VAL A 12 9.903 18.874 6.110 1.00 0.24 H new ATOM 0 HB VAL A 12 9.826 17.343 3.824 1.00 0.24 H new ATOM 0 HG11 VAL A 12 9.559 18.822 1.939 1.00 0.23 H new ATOM 0 HG12 VAL A 12 8.044 18.537 2.827 1.00 0.23 H new ATOM 0 HG13 VAL A 12 8.914 20.077 3.023 1.00 0.23 H new ATOM 0 HG21 VAL A 12 11.692 18.743 3.081 1.00 0.28 H new ATOM 0 HG22 VAL A 12 11.244 19.961 4.299 1.00 0.28 H new ATOM 0 HG23 VAL A 12 11.781 18.344 4.813 1.00 0.28 H new ATOM 176 N LYS A 13 7.016 19.599 4.934 1.00 0.25 N ATOM 177 CA LYS A 13 5.931 20.614 4.935 1.00 0.30 C ATOM 178 C LYS A 13 5.406 21.029 6.327 1.00 0.30 C ATOM 179 O LYS A 13 4.717 22.021 6.429 1.00 0.27 O ATOM 180 CB LYS A 13 4.780 19.981 4.138 1.00 0.50 C ATOM 181 CG LYS A 13 5.062 20.061 2.610 1.00 0.38 C ATOM 182 CD LYS A 13 4.529 21.404 1.999 1.00 1.23 C ATOM 183 CE LYS A 13 3.066 21.709 2.393 1.00 2.10 C ATOM 184 NZ LYS A 13 2.275 20.443 2.267 1.00 1.86 N ATOM 0 H LYS A 13 6.770 18.729 4.461 1.00 0.25 H new ATOM 0 HA LYS A 13 6.331 21.535 4.510 1.00 0.30 H new ATOM 0 HB2 LYS A 13 4.654 18.940 4.436 1.00 0.50 H new ATOM 0 HB3 LYS A 13 3.846 20.494 4.368 1.00 0.50 H new ATOM 0 HG2 LYS A 13 6.134 19.979 2.432 1.00 0.38 H new ATOM 0 HG3 LYS A 13 4.589 19.218 2.107 1.00 0.38 H new ATOM 0 HD2 LYS A 13 5.167 22.225 2.328 1.00 1.23 H new ATOM 0 HD3 LYS A 13 4.605 21.358 0.913 1.00 1.23 H new ATOM 0 HE2 LYS A 13 3.018 22.087 3.414 1.00 2.10 H new ATOM 0 HE3 LYS A 13 2.651 22.483 1.747 1.00 2.10 H new ATOM 0 HZ1 LYS A 13 1.287 20.672 2.039 1.00 1.86 H new ATOM 0 HZ2 LYS A 13 2.678 19.856 1.509 1.00 1.86 H new ATOM 0 HZ3 LYS A 13 2.311 19.920 3.165 1.00 1.86 H new ATOM 198 N HIS A 14 5.733 20.266 7.333 1.00 0.36 N ATOM 199 CA HIS A 14 5.294 20.541 8.748 1.00 0.41 C ATOM 200 C HIS A 14 6.392 20.906 9.713 1.00 0.47 C ATOM 201 O HIS A 14 6.124 21.570 10.692 1.00 0.55 O ATOM 202 CB HIS A 14 4.809 19.244 9.434 1.00 0.45 C ATOM 203 CG HIS A 14 3.445 18.843 8.940 1.00 1.00 C ATOM 204 ND1 HIS A 14 3.241 17.997 8.001 1.00 1.31 N ATOM 205 CD2 HIS A 14 2.183 19.247 9.332 1.00 1.48 C ATOM 206 CE1 HIS A 14 1.965 17.865 7.804 1.00 1.95 C ATOM 207 NE2 HIS A 14 1.270 18.628 8.611 1.00 2.08 N ATOM 0 H HIS A 14 6.308 19.429 7.236 1.00 0.36 H new ATOM 0 HA HIS A 14 4.569 21.341 8.599 1.00 0.41 H new ATOM 0 HB2 HIS A 14 5.519 18.440 9.241 1.00 0.45 H new ATOM 0 HB3 HIS A 14 4.779 19.390 10.514 1.00 0.45 H new ATOM 0 HD1 HIS A 14 3.970 17.502 7.486 1.00 1.31 H new ATOM 0 HD2 HIS A 14 1.976 19.963 10.113 1.00 1.48 H new ATOM 0 HE1 HIS A 14 1.530 17.207 7.066 1.00 1.95 H new ATOM 215 N LEU A 15 7.580 20.438 9.424 1.00 0.44 N ATOM 216 CA LEU A 15 8.739 20.716 10.304 1.00 0.51 C ATOM 217 C LEU A 15 8.635 21.824 11.348 1.00 0.62 C ATOM 218 O LEU A 15 8.305 22.964 11.108 1.00 0.77 O ATOM 219 CB LEU A 15 9.891 21.082 9.447 1.00 0.54 C ATOM 220 CG LEU A 15 10.236 19.949 8.518 1.00 0.40 C ATOM 221 CD1 LEU A 15 11.171 20.563 7.559 1.00 0.64 C ATOM 222 CD2 LEU A 15 10.899 18.793 9.253 1.00 0.36 C ATOM 0 H LEU A 15 7.791 19.869 8.604 1.00 0.44 H new ATOM 0 HA LEU A 15 8.825 19.793 10.878 1.00 0.51 H new ATOM 0 HB2 LEU A 15 9.653 21.975 8.869 1.00 0.54 H new ATOM 0 HB3 LEU A 15 10.752 21.325 10.069 1.00 0.54 H new ATOM 0 HG LEU A 15 9.353 19.519 8.046 1.00 0.40 H new ATOM 0 HD11 LEU A 15 11.488 19.816 6.831 1.00 0.64 H new ATOM 0 HD12 LEU A 15 10.675 21.386 7.043 1.00 0.64 H new ATOM 0 HD13 LEU A 15 12.043 20.942 8.092 1.00 0.64 H new ATOM 0 HD21 LEU A 15 11.131 17.997 8.545 1.00 0.36 H new ATOM 0 HD22 LEU A 15 11.819 19.140 9.723 1.00 0.36 H new ATOM 0 HD23 LEU A 15 10.222 18.412 10.018 1.00 0.36 H new ATOM 234 N LYS A 16 8.960 21.379 12.516 1.00 0.54 N ATOM 235 CA LYS A 16 8.970 22.222 13.760 1.00 0.61 C ATOM 236 C LYS A 16 9.562 23.614 13.521 1.00 0.62 C ATOM 237 O LYS A 16 9.198 24.595 14.132 1.00 0.66 O ATOM 238 CB LYS A 16 9.907 21.556 14.798 1.00 0.55 C ATOM 239 CG LYS A 16 9.301 20.301 15.414 1.00 1.70 C ATOM 240 CD LYS A 16 10.357 19.793 16.457 1.00 1.62 C ATOM 241 CE LYS A 16 9.853 18.565 17.210 1.00 2.36 C ATOM 242 NZ LYS A 16 9.585 17.547 16.170 1.00 2.42 N ATOM 0 H LYS A 16 9.237 20.411 12.681 1.00 0.54 H new ATOM 0 HA LYS A 16 7.935 22.308 14.090 1.00 0.61 H new ATOM 0 HB2 LYS A 16 10.852 21.301 14.318 1.00 0.55 H new ATOM 0 HB3 LYS A 16 10.134 22.271 15.589 1.00 0.55 H new ATOM 0 HG2 LYS A 16 8.348 20.521 15.896 1.00 1.70 H new ATOM 0 HG3 LYS A 16 9.106 19.545 14.653 1.00 1.70 H new ATOM 0 HD2 LYS A 16 11.288 19.550 15.945 1.00 1.62 H new ATOM 0 HD3 LYS A 16 10.582 20.589 17.166 1.00 1.62 H new ATOM 0 HE2 LYS A 16 10.596 18.210 17.924 1.00 2.36 H new ATOM 0 HE3 LYS A 16 8.950 18.795 17.776 1.00 2.36 H new ATOM 0 HZ1 LYS A 16 9.635 16.598 16.592 1.00 2.42 H new ATOM 0 HZ2 LYS A 16 8.637 17.699 15.771 1.00 2.42 H new ATOM 0 HZ3 LYS A 16 10.295 17.627 15.415 1.00 2.42 H new ATOM 256 N THR A 17 10.481 23.606 12.603 1.00 0.58 N ATOM 257 CA THR A 17 11.216 24.846 12.203 1.00 0.55 C ATOM 258 C THR A 17 10.922 25.181 10.740 1.00 0.49 C ATOM 259 O THR A 17 10.393 24.364 10.013 1.00 0.51 O ATOM 260 CB THR A 17 12.695 24.497 12.325 1.00 0.65 C ATOM 261 OG1 THR A 17 12.863 23.943 13.626 1.00 0.76 O ATOM 262 CG2 THR A 17 13.620 25.710 12.379 1.00 0.69 C ATOM 0 H THR A 17 10.766 22.769 12.095 1.00 0.58 H new ATOM 0 HA THR A 17 10.926 25.696 12.820 1.00 0.55 H new ATOM 0 HB THR A 17 12.938 23.870 11.467 1.00 0.65 H new ATOM 0 HG1 THR A 17 13.003 22.976 13.554 1.00 0.76 H new ATOM 0 HG21 THR A 17 14.654 25.376 12.466 1.00 0.69 H new ATOM 0 HG22 THR A 17 13.504 26.297 11.468 1.00 0.69 H new ATOM 0 HG23 THR A 17 13.364 26.325 13.242 1.00 0.69 H new ATOM 270 N LYS A 18 11.301 26.359 10.339 1.00 0.43 N ATOM 271 CA LYS A 18 11.051 26.778 8.930 1.00 0.38 C ATOM 272 C LYS A 18 12.318 26.565 8.087 1.00 0.42 C ATOM 273 O LYS A 18 13.291 27.276 8.272 1.00 0.59 O ATOM 274 CB LYS A 18 10.605 28.252 8.940 1.00 0.35 C ATOM 275 CG LYS A 18 10.127 28.642 7.507 1.00 0.85 C ATOM 276 CD LYS A 18 9.081 29.796 7.575 1.00 1.32 C ATOM 277 CE LYS A 18 7.765 29.301 8.214 1.00 2.00 C ATOM 278 NZ LYS A 18 6.797 30.448 8.229 1.00 3.33 N ATOM 0 H LYS A 18 11.772 27.050 10.922 1.00 0.43 H new ATOM 0 HA LYS A 18 10.263 26.175 8.478 1.00 0.38 H new ATOM 0 HB2 LYS A 18 9.799 28.398 9.659 1.00 0.35 H new ATOM 0 HB3 LYS A 18 11.429 28.894 9.251 1.00 0.35 H new ATOM 0 HG2 LYS A 18 10.981 28.952 6.904 1.00 0.85 H new ATOM 0 HG3 LYS A 18 9.688 27.774 7.015 1.00 0.85 H new ATOM 0 HD2 LYS A 18 9.484 30.625 8.156 1.00 1.32 H new ATOM 0 HD3 LYS A 18 8.884 30.175 6.572 1.00 1.32 H new ATOM 0 HE2 LYS A 18 7.357 28.465 7.646 1.00 2.00 H new ATOM 0 HE3 LYS A 18 7.945 28.941 9.227 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 5.900 30.140 8.656 1.00 3.33 H new ATOM 0 HZ2 LYS A 18 7.195 31.231 8.787 1.00 3.33 H new ATOM 0 HZ3 LYS A 18 6.625 30.769 7.255 1.00 3.33 H new ATOM 292 N PRO A 19 12.306 25.589 7.200 1.00 0.34 N ATOM 293 CA PRO A 19 13.490 25.327 6.341 1.00 0.35 C ATOM 294 C PRO A 19 13.913 26.555 5.528 1.00 0.35 C ATOM 295 O PRO A 19 13.145 27.488 5.375 1.00 0.57 O ATOM 296 CB PRO A 19 13.010 24.197 5.417 1.00 0.34 C ATOM 297 CG PRO A 19 11.976 23.465 6.296 1.00 0.38 C ATOM 298 CD PRO A 19 11.200 24.620 6.924 1.00 0.37 C ATOM 0 HA PRO A 19 14.372 25.070 6.928 1.00 0.35 H new ATOM 0 HB2 PRO A 19 12.563 24.584 4.501 1.00 0.34 H new ATOM 0 HB3 PRO A 19 13.828 23.540 5.120 1.00 0.34 H new ATOM 0 HG2 PRO A 19 11.330 22.815 5.706 1.00 0.38 H new ATOM 0 HG3 PRO A 19 12.454 22.840 7.050 1.00 0.38 H new ATOM 0 HD2 PRO A 19 10.451 25.031 6.247 1.00 0.37 H new ATOM 0 HD3 PRO A 19 10.678 24.320 7.833 1.00 0.37 H new ATOM 306 N ALA A 20 15.116 26.514 5.008 1.00 0.32 N ATOM 307 CA ALA A 20 15.615 27.662 4.208 1.00 0.33 C ATOM 308 C ALA A 20 15.217 27.473 2.745 1.00 0.35 C ATOM 309 O ALA A 20 14.953 26.383 2.253 1.00 0.37 O ATOM 310 CB ALA A 20 17.168 27.644 4.267 1.00 0.31 C ATOM 0 H ALA A 20 15.768 25.735 5.106 1.00 0.32 H new ATOM 0 HA ALA A 20 15.202 28.592 4.598 1.00 0.33 H new ATOM 0 HB1 ALA A 20 17.564 28.478 3.687 1.00 0.31 H new ATOM 0 HB2 ALA A 20 17.494 27.736 5.303 1.00 0.31 H new ATOM 0 HB3 ALA A 20 17.537 26.706 3.852 1.00 0.31 H new ATOM 316 N ASP A 21 15.179 28.599 2.083 1.00 0.32 N ATOM 317 CA ASP A 21 14.819 28.598 0.653 1.00 0.31 C ATOM 318 C ASP A 21 15.548 27.501 -0.131 1.00 0.30 C ATOM 319 O ASP A 21 14.894 26.606 -0.600 1.00 0.32 O ATOM 320 CB ASP A 21 15.095 30.001 0.092 1.00 0.27 C ATOM 321 CG ASP A 21 14.037 31.002 0.526 1.00 0.68 C ATOM 322 OD1 ASP A 21 13.597 31.001 1.664 1.00 1.77 O ATOM 323 OD2 ASP A 21 13.666 31.793 -0.322 1.00 1.00 O ATOM 0 H ASP A 21 15.384 29.516 2.480 1.00 0.32 H new ATOM 0 HA ASP A 21 13.760 28.364 0.543 1.00 0.31 H new ATOM 0 HB2 ASP A 21 16.075 30.340 0.428 1.00 0.27 H new ATOM 0 HB3 ASP A 21 15.128 29.957 -0.997 1.00 0.27 H new ATOM 328 N GLU A 22 16.842 27.558 -0.250 1.00 0.28 N ATOM 329 CA GLU A 22 17.649 26.531 -1.016 1.00 0.28 C ATOM 330 C GLU A 22 17.189 25.042 -0.839 1.00 0.48 C ATOM 331 O GLU A 22 17.117 24.247 -1.764 1.00 0.62 O ATOM 332 CB GLU A 22 19.144 26.693 -0.531 1.00 0.33 C ATOM 333 CG GLU A 22 19.716 28.137 -0.852 1.00 0.71 C ATOM 334 CD GLU A 22 19.670 29.167 0.314 1.00 1.99 C ATOM 335 OE1 GLU A 22 18.691 29.171 1.049 1.00 2.98 O ATOM 336 OE2 GLU A 22 20.646 29.905 0.387 1.00 2.36 O ATOM 0 H GLU A 22 17.408 28.299 0.164 1.00 0.28 H new ATOM 0 HA GLU A 22 17.511 26.725 -2.080 1.00 0.28 H new ATOM 0 HB2 GLU A 22 19.199 26.511 0.542 1.00 0.33 H new ATOM 0 HB3 GLU A 22 19.766 25.940 -1.015 1.00 0.33 H new ATOM 0 HG2 GLU A 22 20.751 28.032 -1.176 1.00 0.71 H new ATOM 0 HG3 GLU A 22 19.159 28.547 -1.694 1.00 0.71 H new ATOM 343 N GLU A 23 16.877 24.710 0.382 1.00 0.52 N ATOM 344 CA GLU A 23 16.415 23.348 0.753 1.00 0.59 C ATOM 345 C GLU A 23 14.983 23.240 0.178 1.00 0.54 C ATOM 346 O GLU A 23 14.657 22.343 -0.581 1.00 0.66 O ATOM 347 CB GLU A 23 16.460 23.365 2.308 1.00 0.59 C ATOM 348 CG GLU A 23 17.947 23.567 2.823 1.00 0.40 C ATOM 349 CD GLU A 23 18.066 23.787 4.346 1.00 0.69 C ATOM 350 OE1 GLU A 23 17.315 24.612 4.825 1.00 1.80 O ATOM 351 OE2 GLU A 23 18.892 23.155 4.999 1.00 0.62 O ATOM 0 H GLU A 23 16.927 25.357 1.169 1.00 0.52 H new ATOM 0 HA GLU A 23 16.992 22.502 0.380 1.00 0.59 H new ATOM 0 HB2 GLU A 23 15.827 24.167 2.686 1.00 0.59 H new ATOM 0 HB3 GLU A 23 16.058 22.430 2.699 1.00 0.59 H new ATOM 0 HG2 GLU A 23 18.537 22.693 2.547 1.00 0.40 H new ATOM 0 HG3 GLU A 23 18.384 24.423 2.309 1.00 0.40 H new ATOM 358 N MET A 24 14.152 24.175 0.562 1.00 0.39 N ATOM 359 CA MET A 24 12.745 24.177 0.055 1.00 0.36 C ATOM 360 C MET A 24 12.786 24.187 -1.480 1.00 0.38 C ATOM 361 O MET A 24 11.902 23.668 -2.127 1.00 0.66 O ATOM 362 CB MET A 24 11.987 25.334 0.696 1.00 0.17 C ATOM 363 CG MET A 24 11.975 25.042 2.206 1.00 0.78 C ATOM 364 SD MET A 24 11.702 23.313 2.683 1.00 3.28 S ATOM 365 CE MET A 24 9.924 23.372 3.001 1.00 3.69 C ATOM 0 H MET A 24 14.385 24.934 1.202 1.00 0.39 H new ATOM 0 HA MET A 24 12.193 23.280 0.337 1.00 0.36 H new ATOM 0 HB2 MET A 24 12.475 26.286 0.486 1.00 0.17 H new ATOM 0 HB3 MET A 24 10.973 25.402 0.303 1.00 0.17 H new ATOM 0 HG2 MET A 24 12.927 25.367 2.626 1.00 0.78 H new ATOM 0 HG3 MET A 24 11.198 25.652 2.667 1.00 0.78 H new ATOM 0 HE1 MET A 24 9.577 22.386 3.309 1.00 3.69 H new ATOM 0 HE2 MET A 24 9.720 24.092 3.793 1.00 3.69 H new ATOM 0 HE3 MET A 24 9.402 23.673 2.093 1.00 3.69 H new ATOM 375 N LEU A 25 13.825 24.775 -2.015 1.00 0.26 N ATOM 376 CA LEU A 25 14.032 24.864 -3.456 1.00 0.23 C ATOM 377 C LEU A 25 14.202 23.446 -3.910 1.00 0.14 C ATOM 378 O LEU A 25 13.491 23.017 -4.781 1.00 0.12 O ATOM 379 CB LEU A 25 15.217 25.684 -3.686 1.00 0.25 C ATOM 380 CG LEU A 25 14.934 27.169 -3.410 1.00 0.22 C ATOM 381 CD1 LEU A 25 15.319 27.804 -4.623 1.00 0.17 C ATOM 382 CD2 LEU A 25 13.531 27.633 -3.092 1.00 0.20 C ATOM 0 H LEU A 25 14.564 25.213 -1.466 1.00 0.26 H new ATOM 0 HA LEU A 25 13.214 25.329 -4.007 1.00 0.23 H new ATOM 0 HB2 LEU A 25 16.029 25.341 -3.044 1.00 0.25 H new ATOM 0 HB3 LEU A 25 15.552 25.561 -4.716 1.00 0.25 H new ATOM 0 HG LEU A 25 15.465 27.408 -2.488 1.00 0.22 H new ATOM 0 HD11 LEU A 25 15.158 28.879 -4.538 1.00 0.17 H new ATOM 0 HD12 LEU A 25 16.374 27.609 -4.817 1.00 0.17 H new ATOM 0 HD13 LEU A 25 14.721 27.411 -5.445 1.00 0.17 H new ATOM 0 HD21 LEU A 25 13.533 28.711 -2.928 1.00 0.20 H new ATOM 0 HD22 LEU A 25 12.871 27.394 -3.926 1.00 0.20 H new ATOM 0 HD23 LEU A 25 13.176 27.130 -2.192 1.00 0.20 H new ATOM 394 N PHE A 26 15.139 22.783 -3.300 1.00 0.14 N ATOM 395 CA PHE A 26 15.427 21.356 -3.626 1.00 0.16 C ATOM 396 C PHE A 26 14.110 20.572 -3.630 1.00 0.15 C ATOM 397 O PHE A 26 13.679 20.067 -4.647 1.00 0.15 O ATOM 398 CB PHE A 26 16.325 20.776 -2.537 1.00 0.22 C ATOM 399 CG PHE A 26 16.571 19.336 -2.966 1.00 0.34 C ATOM 400 CD1 PHE A 26 17.340 19.052 -4.071 1.00 1.06 C ATOM 401 CD2 PHE A 26 15.965 18.320 -2.267 1.00 1.61 C ATOM 402 CE1 PHE A 26 17.505 17.751 -4.486 1.00 1.01 C ATOM 403 CE2 PHE A 26 16.128 17.019 -2.683 1.00 1.70 C ATOM 404 CZ PHE A 26 16.896 16.733 -3.790 1.00 0.54 C ATOM 0 H PHE A 26 15.734 23.177 -2.571 1.00 0.14 H new ATOM 0 HA PHE A 26 15.913 21.288 -4.599 1.00 0.16 H new ATOM 0 HB2 PHE A 26 17.260 21.331 -2.457 1.00 0.22 H new ATOM 0 HB3 PHE A 26 15.843 20.822 -1.560 1.00 0.22 H new ATOM 0 HD1 PHE A 26 17.816 19.854 -4.615 1.00 1.06 H new ATOM 0 HD2 PHE A 26 15.365 18.541 -1.397 1.00 1.61 H new ATOM 0 HE1 PHE A 26 18.109 17.530 -5.353 1.00 1.01 H new ATOM 0 HE2 PHE A 26 15.651 16.217 -2.139 1.00 1.70 H new ATOM 0 HZ PHE A 26 17.020 15.709 -4.111 1.00 0.54 H new ATOM 414 N ILE A 27 13.535 20.536 -2.463 1.00 0.17 N ATOM 415 CA ILE A 27 12.242 19.835 -2.226 1.00 0.21 C ATOM 416 C ILE A 27 11.266 20.247 -3.340 1.00 0.20 C ATOM 417 O ILE A 27 10.902 19.442 -4.156 1.00 0.16 O ATOM 418 CB ILE A 27 11.839 20.318 -0.813 1.00 0.21 C ATOM 419 CG1 ILE A 27 12.221 19.336 0.336 1.00 0.20 C ATOM 420 CG2 ILE A 27 10.309 20.536 -0.641 1.00 0.20 C ATOM 421 CD1 ILE A 27 13.618 18.678 0.242 1.00 0.18 C ATOM 0 H ILE A 27 13.923 20.981 -1.631 1.00 0.17 H new ATOM 0 HA ILE A 27 12.271 18.746 -2.257 1.00 0.21 H new ATOM 0 HB ILE A 27 12.396 21.252 -0.736 1.00 0.21 H new ATOM 0 HG12 ILE A 27 12.160 19.876 1.281 1.00 0.20 H new ATOM 0 HG13 ILE A 27 11.472 18.545 0.372 1.00 0.20 H new ATOM 0 HG21 ILE A 27 10.102 20.874 0.374 1.00 0.20 H new ATOM 0 HG22 ILE A 27 9.967 21.289 -1.351 1.00 0.20 H new ATOM 0 HG23 ILE A 27 9.785 19.598 -0.825 1.00 0.20 H new ATOM 0 HD11 ILE A 27 13.767 18.018 1.096 1.00 0.18 H new ATOM 0 HD12 ILE A 27 13.687 18.100 -0.680 1.00 0.18 H new ATOM 0 HD13 ILE A 27 14.386 19.452 0.243 1.00 0.18 H new ATOM 433 N TYR A 28 10.877 21.487 -3.359 1.00 0.23 N ATOM 434 CA TYR A 28 9.931 22.034 -4.378 1.00 0.25 C ATOM 435 C TYR A 28 10.264 21.668 -5.812 1.00 0.17 C ATOM 436 O TYR A 28 9.509 21.021 -6.504 1.00 0.19 O ATOM 437 CB TYR A 28 10.051 23.568 -4.275 1.00 0.29 C ATOM 438 CG TYR A 28 9.311 24.284 -5.408 1.00 0.30 C ATOM 439 CD1 TYR A 28 7.928 24.259 -5.419 1.00 1.00 C ATOM 440 CD2 TYR A 28 9.999 24.969 -6.403 1.00 1.24 C ATOM 441 CE1 TYR A 28 7.217 24.916 -6.408 1.00 0.90 C ATOM 442 CE2 TYR A 28 9.263 25.622 -7.387 1.00 1.33 C ATOM 443 CZ TYR A 28 7.880 25.603 -7.397 1.00 0.42 C ATOM 444 OH TYR A 28 7.170 26.265 -8.385 1.00 0.50 O ATOM 0 H TYR A 28 11.190 22.179 -2.678 1.00 0.23 H new ATOM 0 HA TYR A 28 8.943 21.623 -4.169 1.00 0.25 H new ATOM 0 HB2 TYR A 28 9.651 23.898 -3.316 1.00 0.29 H new ATOM 0 HB3 TYR A 28 11.104 23.850 -4.295 1.00 0.29 H new ATOM 0 HD1 TYR A 28 7.397 23.721 -4.647 1.00 1.00 H new ATOM 0 HD2 TYR A 28 11.079 24.994 -6.412 1.00 1.24 H new ATOM 0 HE1 TYR A 28 6.137 24.889 -6.403 1.00 0.90 H new ATOM 0 HE2 TYR A 28 9.786 26.159 -8.165 1.00 1.33 H new ATOM 0 HH TYR A 28 7.139 25.711 -9.193 1.00 0.50 H new ATOM 454 N SER A 29 11.419 22.116 -6.195 1.00 0.13 N ATOM 455 CA SER A 29 11.971 21.908 -7.549 1.00 0.08 C ATOM 456 C SER A 29 11.792 20.460 -7.975 1.00 0.09 C ATOM 457 O SER A 29 11.144 20.130 -8.957 1.00 0.14 O ATOM 458 CB SER A 29 13.451 22.325 -7.486 1.00 0.02 C ATOM 459 OG SER A 29 14.144 21.375 -6.680 1.00 0.02 O ATOM 0 H SER A 29 12.036 22.650 -5.583 1.00 0.13 H new ATOM 0 HA SER A 29 11.451 22.506 -8.298 1.00 0.08 H new ATOM 0 HB2 SER A 29 13.880 22.360 -8.488 1.00 0.02 H new ATOM 0 HB3 SER A 29 13.547 23.325 -7.063 1.00 0.02 H new ATOM 0 HG SER A 29 13.837 21.447 -5.752 1.00 0.02 H new ATOM 465 N HIS A 30 12.386 19.617 -7.180 1.00 0.08 N ATOM 466 CA HIS A 30 12.318 18.175 -7.442 1.00 0.09 C ATOM 467 C HIS A 30 10.891 17.666 -7.299 1.00 0.08 C ATOM 468 O HIS A 30 10.390 17.031 -8.191 1.00 0.13 O ATOM 469 CB HIS A 30 13.247 17.552 -6.402 1.00 0.09 C ATOM 470 CG HIS A 30 14.683 17.784 -6.834 1.00 0.13 C ATOM 471 ND1 HIS A 30 15.253 18.931 -6.961 1.00 0.90 N ATOM 472 CD2 HIS A 30 15.653 16.871 -7.186 1.00 0.60 C ATOM 473 CE1 HIS A 30 16.477 18.759 -7.360 1.00 0.71 C ATOM 474 NE2 HIS A 30 16.768 17.492 -7.514 1.00 0.24 N ATOM 0 H HIS A 30 12.920 19.880 -6.352 1.00 0.08 H new ATOM 0 HA HIS A 30 12.620 17.919 -8.458 1.00 0.09 H new ATOM 0 HB2 HIS A 30 13.070 17.996 -5.423 1.00 0.09 H new ATOM 0 HB3 HIS A 30 13.048 16.484 -6.308 1.00 0.09 H new ATOM 0 HD1 HIS A 30 14.813 19.833 -6.777 1.00 0.90 H new ATOM 0 HD2 HIS A 30 15.519 15.799 -7.192 1.00 0.60 H new ATOM 0 HE1 HIS A 30 17.172 19.565 -7.543 1.00 0.71 H new ATOM 482 N TYR A 31 10.249 17.950 -6.205 1.00 0.06 N ATOM 483 CA TYR A 31 8.848 17.495 -5.965 1.00 0.07 C ATOM 484 C TYR A 31 8.034 17.741 -7.192 1.00 0.11 C ATOM 485 O TYR A 31 7.564 16.841 -7.857 1.00 0.12 O ATOM 486 CB TYR A 31 8.158 18.319 -4.841 1.00 0.06 C ATOM 487 CG TYR A 31 6.833 17.673 -4.446 1.00 0.10 C ATOM 488 CD1 TYR A 31 6.799 16.649 -3.516 1.00 0.95 C ATOM 489 CD2 TYR A 31 5.653 18.102 -5.028 1.00 0.70 C ATOM 490 CE1 TYR A 31 5.596 16.064 -3.178 1.00 1.00 C ATOM 491 CE2 TYR A 31 4.453 17.515 -4.674 1.00 0.65 C ATOM 492 CZ TYR A 31 4.422 16.495 -3.750 1.00 0.20 C ATOM 493 OH TYR A 31 3.220 15.916 -3.411 1.00 0.20 O ATOM 0 H TYR A 31 10.647 18.496 -5.441 1.00 0.06 H new ATOM 0 HA TYR A 31 8.901 16.441 -5.691 1.00 0.07 H new ATOM 0 HB2 TYR A 31 8.813 18.381 -3.972 1.00 0.06 H new ATOM 0 HB3 TYR A 31 7.985 19.339 -5.183 1.00 0.06 H new ATOM 0 HD1 TYR A 31 7.714 16.308 -3.055 1.00 0.95 H new ATOM 0 HD2 TYR A 31 5.670 18.896 -5.760 1.00 0.70 H new ATOM 0 HE1 TYR A 31 5.576 15.260 -2.457 1.00 1.00 H new ATOM 0 HE2 TYR A 31 3.534 17.859 -5.125 1.00 0.65 H new ATOM 0 HH TYR A 31 3.372 14.993 -3.118 1.00 0.20 H new ATOM 503 N LYS A 32 7.916 19.012 -7.437 1.00 0.12 N ATOM 504 CA LYS A 32 7.155 19.505 -8.590 1.00 0.12 C ATOM 505 C LYS A 32 7.576 18.701 -9.829 1.00 0.08 C ATOM 506 O LYS A 32 6.712 18.327 -10.588 1.00 0.10 O ATOM 507 CB LYS A 32 7.379 20.973 -8.550 1.00 0.14 C ATOM 508 CG LYS A 32 6.851 21.642 -7.228 1.00 0.15 C ATOM 509 CD LYS A 32 5.335 21.468 -6.947 1.00 0.23 C ATOM 510 CE LYS A 32 4.534 22.179 -7.971 1.00 0.43 C ATOM 511 NZ LYS A 32 3.092 22.141 -7.528 1.00 0.63 N ATOM 0 H LYS A 32 8.332 19.744 -6.862 1.00 0.12 H new ATOM 0 HA LYS A 32 6.075 19.358 -8.597 1.00 0.12 H new ATOM 0 HB2 LYS A 32 8.445 21.175 -8.651 1.00 0.14 H new ATOM 0 HB3 LYS A 32 6.885 21.433 -9.406 1.00 0.14 H new ATOM 0 HG2 LYS A 32 7.408 21.230 -6.386 1.00 0.15 H new ATOM 0 HG3 LYS A 32 7.075 22.708 -7.267 1.00 0.15 H new ATOM 0 HD2 LYS A 32 5.078 20.409 -6.946 1.00 0.23 H new ATOM 0 HD3 LYS A 32 5.096 21.854 -5.956 1.00 0.23 H new ATOM 0 HE2 LYS A 32 4.875 23.209 -8.077 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.648 21.703 -8.945 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.501 22.633 -8.228 1.00 0.63 H new ATOM 0 HZ2 LYS A 32 2.780 21.152 -7.446 1.00 0.63 H new ATOM 0 HZ3 LYS A 32 3.000 22.611 -6.605 1.00 0.63 H new ATOM 525 N GLN A 33 8.852 18.454 -10.010 1.00 0.09 N ATOM 526 CA GLN A 33 9.253 17.644 -11.219 1.00 0.05 C ATOM 527 C GLN A 33 8.710 16.219 -11.142 1.00 0.05 C ATOM 528 O GLN A 33 8.027 15.752 -12.028 1.00 0.07 O ATOM 529 CB GLN A 33 10.769 17.466 -11.220 1.00 0.15 C ATOM 530 CG GLN A 33 11.405 18.701 -11.741 1.00 0.40 C ATOM 531 CD GLN A 33 11.206 18.730 -13.240 1.00 0.58 C ATOM 532 OE1 GLN A 33 12.006 18.269 -14.021 1.00 0.37 O ATOM 533 NE2 GLN A 33 10.124 19.241 -13.708 1.00 1.12 N ATOM 0 H GLN A 33 9.612 18.761 -9.403 1.00 0.09 H new ATOM 0 HA GLN A 33 8.871 18.171 -12.093 1.00 0.05 H new ATOM 0 HB2 GLN A 33 11.123 17.258 -10.210 1.00 0.15 H new ATOM 0 HB3 GLN A 33 11.046 16.612 -11.837 1.00 0.15 H new ATOM 0 HG2 GLN A 33 10.960 19.583 -11.280 1.00 0.40 H new ATOM 0 HG3 GLN A 33 12.467 18.715 -11.497 1.00 0.40 H new ATOM 0 HE21 GLN A 33 9.431 19.637 -13.073 1.00 1.12 H new ATOM 0 HE22 GLN A 33 9.958 19.250 -14.714 1.00 1.12 H new ATOM 542 N ALA A 34 9.056 15.584 -10.067 1.00 0.10 N ATOM 543 CA ALA A 34 8.642 14.182 -9.775 1.00 0.14 C ATOM 544 C ALA A 34 7.137 13.917 -9.924 1.00 0.19 C ATOM 545 O ALA A 34 6.734 12.928 -10.501 1.00 0.32 O ATOM 546 CB ALA A 34 8.971 13.943 -8.311 1.00 0.19 C ATOM 0 H ALA A 34 9.639 15.998 -9.339 1.00 0.10 H new ATOM 0 HA ALA A 34 9.157 13.535 -10.485 1.00 0.14 H new ATOM 0 HB1 ALA A 34 8.689 12.927 -8.036 1.00 0.19 H new ATOM 0 HB2 ALA A 34 10.041 14.078 -8.152 1.00 0.19 H new ATOM 0 HB3 ALA A 34 8.420 14.652 -7.694 1.00 0.19 H new ATOM 552 N THR A 35 6.388 14.835 -9.383 1.00 0.19 N ATOM 553 CA THR A 35 4.883 14.793 -9.385 1.00 0.24 C ATOM 554 C THR A 35 4.124 15.331 -10.610 1.00 0.36 C ATOM 555 O THR A 35 3.482 14.601 -11.334 1.00 0.51 O ATOM 556 CB THR A 35 4.434 15.661 -8.189 1.00 0.18 C ATOM 557 OG1 THR A 35 5.047 16.927 -8.375 1.00 0.22 O ATOM 558 CG2 THR A 35 5.096 15.188 -6.916 1.00 0.12 C ATOM 0 H THR A 35 6.770 15.656 -8.914 1.00 0.19 H new ATOM 0 HA THR A 35 4.639 13.731 -9.362 1.00 0.24 H new ATOM 0 HB THR A 35 3.346 15.645 -8.130 1.00 0.18 H new ATOM 0 HG1 THR A 35 5.878 16.967 -7.857 1.00 0.22 H new ATOM 0 HG21 THR A 35 4.769 15.810 -6.083 1.00 0.12 H new ATOM 0 HG22 THR A 35 4.819 14.151 -6.725 1.00 0.12 H new ATOM 0 HG23 THR A 35 6.179 15.261 -7.020 1.00 0.12 H new ATOM 566 N VAL A 36 4.253 16.613 -10.788 1.00 0.33 N ATOM 567 CA VAL A 36 3.609 17.408 -11.902 1.00 0.36 C ATOM 568 C VAL A 36 4.379 17.254 -13.203 1.00 0.27 C ATOM 569 O VAL A 36 3.886 16.871 -14.247 1.00 0.32 O ATOM 570 CB VAL A 36 3.793 18.949 -11.516 1.00 0.36 C ATOM 571 CG1 VAL A 36 3.233 19.922 -12.573 1.00 0.35 C ATOM 572 CG2 VAL A 36 3.189 19.259 -10.172 1.00 0.42 C ATOM 0 H VAL A 36 4.818 17.192 -10.167 1.00 0.33 H new ATOM 0 HA VAL A 36 2.578 17.077 -12.022 1.00 0.36 H new ATOM 0 HB VAL A 36 4.871 19.104 -11.474 1.00 0.36 H new ATOM 0 HG11 VAL A 36 3.393 20.949 -12.244 1.00 0.35 H new ATOM 0 HG12 VAL A 36 3.744 19.762 -13.522 1.00 0.35 H new ATOM 0 HG13 VAL A 36 2.165 19.745 -12.701 1.00 0.35 H new ATOM 0 HG21 VAL A 36 3.333 20.315 -9.943 1.00 0.42 H new ATOM 0 HG22 VAL A 36 2.123 19.034 -10.192 1.00 0.42 H new ATOM 0 HG23 VAL A 36 3.673 18.653 -9.407 1.00 0.42 H new ATOM 582 N GLY A 37 5.622 17.592 -13.023 1.00 0.15 N ATOM 583 CA GLY A 37 6.650 17.564 -14.100 1.00 0.04 C ATOM 584 C GLY A 37 7.259 18.957 -14.288 1.00 0.22 C ATOM 585 O GLY A 37 7.595 19.683 -13.362 1.00 0.29 O ATOM 0 H GLY A 37 5.986 17.904 -12.123 1.00 0.15 H new ATOM 0 HA2 GLY A 37 7.432 16.848 -13.847 1.00 0.04 H new ATOM 0 HA3 GLY A 37 6.200 17.227 -15.034 1.00 0.04 H new ATOM 589 N ASP A 38 7.388 19.248 -15.548 1.00 0.27 N ATOM 590 CA ASP A 38 7.937 20.525 -16.025 1.00 0.45 C ATOM 591 C ASP A 38 7.159 21.763 -15.471 1.00 0.53 C ATOM 592 O ASP A 38 5.955 21.879 -15.584 1.00 0.66 O ATOM 593 CB ASP A 38 7.907 20.335 -17.589 1.00 0.52 C ATOM 594 CG ASP A 38 9.052 19.419 -18.072 1.00 0.51 C ATOM 595 OD1 ASP A 38 9.258 18.407 -17.419 1.00 0.65 O ATOM 596 OD2 ASP A 38 9.639 19.824 -19.072 1.00 1.31 O ATOM 0 H ASP A 38 7.118 18.612 -16.298 1.00 0.27 H new ATOM 0 HA ASP A 38 8.943 20.749 -15.670 1.00 0.45 H new ATOM 0 HB2 ASP A 38 6.949 19.908 -17.886 1.00 0.52 H new ATOM 0 HB3 ASP A 38 7.988 21.307 -18.076 1.00 0.52 H new ATOM 601 N ILE A 39 7.924 22.639 -14.867 1.00 0.48 N ATOM 602 CA ILE A 39 7.422 23.921 -14.253 1.00 0.52 C ATOM 603 C ILE A 39 6.144 24.555 -14.852 1.00 0.85 C ATOM 604 O ILE A 39 6.187 25.174 -15.893 1.00 0.95 O ATOM 605 CB ILE A 39 8.622 24.799 -13.926 1.00 0.45 C ATOM 606 CG1 ILE A 39 8.113 25.898 -12.976 1.00 0.40 C ATOM 607 CG2 ILE A 39 9.394 25.348 -15.150 1.00 0.48 C ATOM 608 CD1 ILE A 39 9.336 26.430 -12.288 1.00 0.24 C ATOM 0 H ILE A 39 8.931 22.514 -14.768 1.00 0.48 H new ATOM 0 HA ILE A 39 6.938 23.698 -13.302 1.00 0.52 H new ATOM 0 HB ILE A 39 9.389 24.191 -13.446 1.00 0.45 H new ATOM 0 HG12 ILE A 39 7.598 26.686 -13.527 1.00 0.40 H new ATOM 0 HG13 ILE A 39 7.401 25.495 -12.256 1.00 0.40 H new ATOM 0 HG21 ILE A 39 10.229 25.960 -14.809 1.00 0.48 H new ATOM 0 HG22 ILE A 39 9.773 24.516 -15.744 1.00 0.48 H new ATOM 0 HG23 ILE A 39 8.725 25.955 -15.760 1.00 0.48 H new ATOM 0 HD11 ILE A 39 9.048 27.219 -11.594 1.00 0.24 H new ATOM 0 HD12 ILE A 39 9.824 25.624 -11.740 1.00 0.24 H new ATOM 0 HD13 ILE A 39 10.025 26.833 -13.030 1.00 0.24 H new ATOM 620 N ASN A 40 5.044 24.375 -14.150 1.00 1.04 N ATOM 621 CA ASN A 40 3.695 24.910 -14.569 1.00 1.32 C ATOM 622 C ASN A 40 3.088 25.990 -13.642 1.00 1.39 C ATOM 623 O ASN A 40 1.893 26.068 -13.437 1.00 1.58 O ATOM 624 CB ASN A 40 2.702 23.715 -14.671 1.00 1.47 C ATOM 625 CG ASN A 40 2.852 23.021 -16.003 1.00 0.88 C ATOM 626 OD1 ASN A 40 2.641 23.579 -17.054 1.00 1.96 O ATOM 627 ND2 ASN A 40 3.219 21.787 -16.013 1.00 0.53 N ATOM 0 H ASN A 40 5.023 23.860 -13.270 1.00 1.04 H new ATOM 0 HA ASN A 40 3.856 25.409 -15.524 1.00 1.32 H new ATOM 0 HB2 ASN A 40 2.888 23.008 -13.862 1.00 1.47 H new ATOM 0 HB3 ASN A 40 1.679 24.072 -14.553 1.00 1.47 H new ATOM 0 HD21 ASN A 40 3.328 21.294 -16.900 1.00 0.53 H new ATOM 0 HD22 ASN A 40 3.401 21.302 -15.134 1.00 0.53 H new ATOM 634 N THR A 41 3.966 26.784 -13.105 1.00 1.25 N ATOM 635 CA THR A 41 3.546 27.910 -12.185 1.00 1.31 C ATOM 636 C THR A 41 3.870 29.093 -13.085 1.00 1.16 C ATOM 637 O THR A 41 3.024 29.577 -13.800 1.00 1.81 O ATOM 638 CB THR A 41 4.365 27.912 -10.827 1.00 1.28 C ATOM 639 OG1 THR A 41 5.762 27.784 -11.090 1.00 1.16 O ATOM 640 CG2 THR A 41 4.177 26.614 -10.142 1.00 1.26 C ATOM 0 H THR A 41 4.972 26.712 -13.257 1.00 1.25 H new ATOM 0 HA THR A 41 2.515 27.874 -11.834 1.00 1.31 H new ATOM 0 HB THR A 41 4.054 28.809 -10.292 1.00 1.28 H new ATOM 0 HG1 THR A 41 6.256 27.788 -10.244 1.00 1.16 H new ATOM 0 HG21 THR A 41 4.738 26.611 -9.208 1.00 1.26 H new ATOM 0 HG22 THR A 41 3.118 26.465 -9.930 1.00 1.26 H new ATOM 0 HG23 THR A 41 4.536 25.809 -10.783 1.00 1.26 H new ATOM 648 N GLU A 42 5.105 29.458 -12.982 1.00 0.63 N ATOM 649 CA GLU A 42 5.795 30.543 -13.705 1.00 0.39 C ATOM 650 C GLU A 42 6.850 31.227 -12.867 1.00 0.39 C ATOM 651 O GLU A 42 6.866 31.196 -11.652 1.00 0.54 O ATOM 652 CB GLU A 42 4.897 31.692 -14.045 1.00 0.57 C ATOM 653 CG GLU A 42 4.524 32.483 -12.773 1.00 1.85 C ATOM 654 CD GLU A 42 3.657 33.725 -13.018 1.00 2.25 C ATOM 655 OE1 GLU A 42 2.606 33.588 -13.615 1.00 2.02 O ATOM 656 OE2 GLU A 42 4.125 34.767 -12.576 1.00 3.26 O ATOM 0 H GLU A 42 5.737 28.979 -12.340 1.00 0.63 H new ATOM 0 HA GLU A 42 6.190 30.025 -14.579 1.00 0.39 H new ATOM 0 HB2 GLU A 42 5.394 32.351 -14.757 1.00 0.57 H new ATOM 0 HB3 GLU A 42 3.993 31.323 -14.529 1.00 0.57 H new ATOM 0 HG2 GLU A 42 3.996 31.817 -12.090 1.00 1.85 H new ATOM 0 HG3 GLU A 42 5.442 32.791 -12.272 1.00 1.85 H new ATOM 663 N ARG A 43 7.671 31.854 -13.634 1.00 0.31 N ATOM 664 CA ARG A 43 8.800 32.621 -13.091 1.00 0.25 C ATOM 665 C ARG A 43 8.285 34.015 -12.658 1.00 0.25 C ATOM 666 O ARG A 43 8.014 34.831 -13.516 1.00 0.21 O ATOM 667 CB ARG A 43 9.763 32.753 -14.254 1.00 0.23 C ATOM 668 CG ARG A 43 11.068 33.261 -13.707 1.00 0.28 C ATOM 669 CD ARG A 43 11.991 33.548 -14.861 1.00 0.53 C ATOM 670 NE ARG A 43 13.207 34.134 -14.221 1.00 0.91 N ATOM 671 CZ ARG A 43 14.379 33.793 -14.565 1.00 0.79 C ATOM 672 NH1 ARG A 43 14.880 34.281 -15.618 1.00 1.66 N ATOM 673 NH2 ARG A 43 14.967 32.977 -13.826 1.00 1.21 N ATOM 0 H ARG A 43 7.603 31.867 -14.652 1.00 0.31 H new ATOM 0 HA ARG A 43 9.270 32.152 -12.227 1.00 0.25 H new ATOM 0 HB2 ARG A 43 9.903 31.791 -14.747 1.00 0.23 H new ATOM 0 HB3 ARG A 43 9.368 33.440 -15.002 1.00 0.23 H new ATOM 0 HG2 ARG A 43 10.906 34.164 -13.118 1.00 0.28 H new ATOM 0 HG3 ARG A 43 11.513 32.522 -13.041 1.00 0.28 H new ATOM 0 HD2 ARG A 43 12.231 32.640 -15.415 1.00 0.53 H new ATOM 0 HD3 ARG A 43 11.539 34.243 -15.569 1.00 0.53 H new ATOM 0 HE ARG A 43 13.091 34.830 -13.484 1.00 0.91 H new ATOM 0 HH11 ARG A 43 14.343 34.941 -16.180 1.00 1.66 H new ATOM 0 HH12 ARG A 43 15.822 34.015 -15.906 1.00 1.66 H new ATOM 0 HH21 ARG A 43 14.503 32.618 -12.992 1.00 1.21 H new ATOM 0 HH22 ARG A 43 15.912 32.669 -14.056 1.00 1.21 H new ATOM 687 N PRO A 44 8.153 34.251 -11.365 1.00 0.32 N ATOM 688 CA PRO A 44 7.660 35.568 -10.833 1.00 0.37 C ATOM 689 C PRO A 44 8.097 36.844 -11.602 1.00 0.26 C ATOM 690 O PRO A 44 9.178 36.922 -12.155 1.00 0.32 O ATOM 691 CB PRO A 44 8.281 35.580 -9.421 1.00 0.52 C ATOM 692 CG PRO A 44 8.178 34.107 -8.971 1.00 0.59 C ATOM 693 CD PRO A 44 8.472 33.289 -10.253 1.00 0.40 C ATOM 0 HA PRO A 44 6.573 35.618 -10.904 1.00 0.37 H new ATOM 0 HB2 PRO A 44 9.316 35.923 -9.440 1.00 0.52 H new ATOM 0 HB3 PRO A 44 7.738 36.244 -8.749 1.00 0.52 H new ATOM 0 HG2 PRO A 44 8.896 33.882 -8.183 1.00 0.59 H new ATOM 0 HG3 PRO A 44 7.188 33.881 -8.574 1.00 0.59 H new ATOM 0 HD2 PRO A 44 9.511 32.962 -10.291 1.00 0.40 H new ATOM 0 HD3 PRO A 44 7.854 32.393 -10.308 1.00 0.40 H new ATOM 701 N GLY A 45 7.258 37.844 -11.608 1.00 0.48 N ATOM 702 CA GLY A 45 7.595 39.130 -12.331 1.00 0.47 C ATOM 703 C GLY A 45 7.795 40.325 -11.394 1.00 0.59 C ATOM 704 O GLY A 45 7.602 41.461 -11.777 1.00 1.72 O ATOM 0 H GLY A 45 6.349 37.837 -11.146 1.00 0.48 H new ATOM 0 HA2 GLY A 45 8.503 38.981 -12.916 1.00 0.47 H new ATOM 0 HA3 GLY A 45 6.796 39.361 -13.036 1.00 0.47 H new ATOM 708 N MET A 46 8.181 40.043 -10.182 1.00 0.75 N ATOM 709 CA MET A 46 8.406 41.141 -9.188 1.00 0.98 C ATOM 710 C MET A 46 9.895 41.474 -9.038 1.00 1.19 C ATOM 711 O MET A 46 10.753 40.772 -9.540 1.00 1.33 O ATOM 712 CB MET A 46 7.782 40.677 -7.858 1.00 2.27 C ATOM 713 CG MET A 46 6.242 40.705 -8.017 1.00 2.76 C ATOM 714 SD MET A 46 5.255 40.280 -6.561 1.00 4.91 S ATOM 715 CE MET A 46 4.023 39.196 -7.330 1.00 5.05 C ATOM 0 H MET A 46 8.352 39.100 -9.832 1.00 0.75 H new ATOM 0 HA MET A 46 7.936 42.065 -9.525 1.00 0.98 H new ATOM 0 HB2 MET A 46 8.121 39.672 -7.608 1.00 2.27 H new ATOM 0 HB3 MET A 46 8.093 41.330 -7.043 1.00 2.27 H new ATOM 0 HG2 MET A 46 5.954 41.705 -8.341 1.00 2.76 H new ATOM 0 HG3 MET A 46 5.972 40.019 -8.820 1.00 2.76 H new ATOM 0 HE1 MET A 46 3.327 38.839 -6.570 1.00 5.05 H new ATOM 0 HE2 MET A 46 3.475 39.751 -8.092 1.00 5.05 H new ATOM 0 HE3 MET A 46 4.524 38.345 -7.791 1.00 5.05 H new ATOM 725 N LEU A 47 10.176 42.531 -8.328 1.00 2.25 N ATOM 726 CA LEU A 47 11.605 42.936 -8.119 1.00 3.25 C ATOM 727 C LEU A 47 11.995 42.205 -6.821 1.00 3.24 C ATOM 728 O LEU A 47 12.385 42.750 -5.808 1.00 3.95 O ATOM 729 CB LEU A 47 11.652 44.481 -7.995 1.00 4.61 C ATOM 730 CG LEU A 47 13.075 45.047 -8.261 1.00 5.45 C ATOM 731 CD1 LEU A 47 13.017 46.569 -8.099 1.00 6.35 C ATOM 732 CD2 LEU A 47 14.110 44.514 -7.252 1.00 5.32 C ATOM 0 H LEU A 47 9.484 43.134 -7.882 1.00 2.25 H new ATOM 0 HA LEU A 47 12.293 42.677 -8.924 1.00 3.25 H new ATOM 0 HB2 LEU A 47 10.949 44.922 -8.702 1.00 4.61 H new ATOM 0 HB3 LEU A 47 11.327 44.774 -6.997 1.00 4.61 H new ATOM 0 HG LEU A 47 13.378 44.742 -9.263 1.00 5.45 H new ATOM 0 HD11 LEU A 47 14.005 46.992 -8.281 1.00 6.35 H new ATOM 0 HD12 LEU A 47 12.307 46.984 -8.814 1.00 6.35 H new ATOM 0 HD13 LEU A 47 12.698 46.815 -7.086 1.00 6.35 H new ATOM 0 HD21 LEU A 47 15.089 44.937 -7.477 1.00 5.32 H new ATOM 0 HD22 LEU A 47 13.815 44.800 -6.243 1.00 5.32 H new ATOM 0 HD23 LEU A 47 14.159 43.427 -7.321 1.00 5.32 H new ATOM 744 N ASP A 48 11.853 40.921 -6.948 1.00 2.60 N ATOM 745 CA ASP A 48 12.148 39.955 -5.865 1.00 2.68 C ATOM 746 C ASP A 48 13.281 38.991 -6.282 1.00 2.40 C ATOM 747 O ASP A 48 13.577 38.809 -7.450 1.00 2.98 O ATOM 748 CB ASP A 48 10.806 39.226 -5.589 1.00 2.33 C ATOM 749 CG ASP A 48 11.050 37.910 -4.867 1.00 3.14 C ATOM 750 OD1 ASP A 48 11.592 37.928 -3.777 1.00 4.58 O ATOM 751 OD2 ASP A 48 10.683 36.928 -5.487 1.00 2.71 O ATOM 0 H ASP A 48 11.526 40.481 -7.808 1.00 2.60 H new ATOM 0 HA ASP A 48 12.512 40.440 -4.959 1.00 2.68 H new ATOM 0 HB2 ASP A 48 10.157 39.862 -4.987 1.00 2.33 H new ATOM 0 HB3 ASP A 48 10.287 39.040 -6.529 1.00 2.33 H new ATOM 756 N PHE A 49 13.842 38.417 -5.258 1.00 2.17 N ATOM 757 CA PHE A 49 14.975 37.440 -5.349 1.00 2.28 C ATOM 758 C PHE A 49 14.677 36.130 -4.574 1.00 2.15 C ATOM 759 O PHE A 49 15.334 35.128 -4.756 1.00 2.40 O ATOM 760 CB PHE A 49 16.227 38.094 -4.671 1.00 3.16 C ATOM 761 CG PHE A 49 16.555 39.520 -5.164 1.00 3.84 C ATOM 762 CD1 PHE A 49 15.804 40.605 -4.752 1.00 3.30 C ATOM 763 CD2 PHE A 49 17.616 39.740 -6.021 1.00 5.12 C ATOM 764 CE1 PHE A 49 16.108 41.883 -5.184 1.00 4.05 C ATOM 765 CE2 PHE A 49 17.926 41.016 -6.455 1.00 5.79 C ATOM 766 CZ PHE A 49 17.171 42.090 -6.037 1.00 5.25 C ATOM 0 H PHE A 49 13.544 38.595 -4.299 1.00 2.17 H new ATOM 0 HA PHE A 49 15.133 37.202 -6.401 1.00 2.28 H new ATOM 0 HB2 PHE A 49 16.065 38.125 -3.593 1.00 3.16 H new ATOM 0 HB3 PHE A 49 17.093 37.455 -4.845 1.00 3.16 H new ATOM 0 HD1 PHE A 49 14.969 40.453 -4.084 1.00 3.30 H new ATOM 0 HD2 PHE A 49 18.212 38.904 -6.357 1.00 5.12 H new ATOM 0 HE1 PHE A 49 15.512 42.720 -4.853 1.00 4.05 H new ATOM 0 HE2 PHE A 49 18.761 41.171 -7.122 1.00 5.79 H new ATOM 0 HZ PHE A 49 17.410 43.087 -6.375 1.00 5.25 H new ATOM 776 N LYS A 50 13.687 36.160 -3.724 1.00 1.79 N ATOM 777 CA LYS A 50 13.297 34.968 -2.897 1.00 1.67 C ATOM 778 C LYS A 50 12.186 34.048 -3.435 1.00 1.48 C ATOM 779 O LYS A 50 12.142 32.885 -3.073 1.00 2.00 O ATOM 780 CB LYS A 50 12.760 35.546 -1.554 1.00 1.40 C ATOM 781 CG LYS A 50 13.727 35.227 -0.410 1.00 2.30 C ATOM 782 CD LYS A 50 12.933 35.386 0.922 1.00 2.27 C ATOM 783 CE LYS A 50 13.754 34.896 2.098 1.00 3.28 C ATOM 784 NZ LYS A 50 14.065 33.472 1.805 1.00 3.88 N ATOM 0 H LYS A 50 13.111 36.985 -3.560 1.00 1.79 H new ATOM 0 HA LYS A 50 14.188 34.342 -2.855 1.00 1.67 H new ATOM 0 HB2 LYS A 50 12.632 36.625 -1.640 1.00 1.40 H new ATOM 0 HB3 LYS A 50 11.778 35.125 -1.337 1.00 1.40 H new ATOM 0 HG2 LYS A 50 14.117 34.214 -0.507 1.00 2.30 H new ATOM 0 HG3 LYS A 50 14.583 35.901 -0.430 1.00 2.30 H new ATOM 0 HD2 LYS A 50 12.666 36.433 1.069 1.00 2.27 H new ATOM 0 HD3 LYS A 50 12.000 34.825 0.864 1.00 2.27 H new ATOM 0 HE2 LYS A 50 14.667 35.481 2.209 1.00 3.28 H new ATOM 0 HE3 LYS A 50 13.198 34.992 3.031 1.00 3.28 H new ATOM 0 HZ1 LYS A 50 13.779 32.881 2.612 1.00 3.88 H new ATOM 0 HZ2 LYS A 50 13.547 33.171 0.955 1.00 3.88 H new ATOM 0 HZ3 LYS A 50 15.087 33.366 1.644 1.00 3.88 H new ATOM 798 N GLY A 51 11.333 34.564 -4.280 1.00 0.92 N ATOM 799 CA GLY A 51 10.206 33.721 -4.841 1.00 0.75 C ATOM 800 C GLY A 51 10.992 33.023 -5.904 1.00 0.76 C ATOM 801 O GLY A 51 11.272 31.846 -5.803 1.00 0.93 O ATOM 0 H GLY A 51 11.358 35.528 -4.612 1.00 0.92 H new ATOM 0 HA2 GLY A 51 9.778 33.037 -4.108 1.00 0.75 H new ATOM 0 HA3 GLY A 51 9.384 34.317 -5.239 1.00 0.75 H new ATOM 805 N LYS A 52 11.301 33.830 -6.880 1.00 0.57 N ATOM 806 CA LYS A 52 12.104 33.456 -8.059 1.00 0.57 C ATOM 807 C LYS A 52 12.864 32.130 -7.875 1.00 0.39 C ATOM 808 O LYS A 52 12.678 31.174 -8.590 1.00 0.17 O ATOM 809 CB LYS A 52 13.174 34.580 -7.924 1.00 0.94 C ATOM 810 CG LYS A 52 12.675 35.998 -8.209 1.00 1.44 C ATOM 811 CD LYS A 52 12.276 36.076 -9.643 1.00 1.69 C ATOM 812 CE LYS A 52 11.757 37.456 -9.941 1.00 2.74 C ATOM 813 NZ LYS A 52 11.716 37.536 -11.428 1.00 3.64 N ATOM 0 H LYS A 52 11.001 34.805 -6.897 1.00 0.57 H new ATOM 0 HA LYS A 52 11.524 33.352 -8.976 1.00 0.57 H new ATOM 0 HB2 LYS A 52 13.580 34.552 -6.913 1.00 0.94 H new ATOM 0 HB3 LYS A 52 13.997 34.359 -8.604 1.00 0.94 H new ATOM 0 HG2 LYS A 52 11.828 36.239 -7.566 1.00 1.44 H new ATOM 0 HG3 LYS A 52 13.457 36.726 -7.993 1.00 1.44 H new ATOM 0 HD2 LYS A 52 13.129 35.850 -10.282 1.00 1.69 H new ATOM 0 HD3 LYS A 52 11.509 35.332 -9.860 1.00 1.69 H new ATOM 0 HE2 LYS A 52 10.768 37.608 -9.510 1.00 2.74 H new ATOM 0 HE3 LYS A 52 12.409 38.223 -9.522 1.00 2.74 H new ATOM 0 HZ1 LYS A 52 12.129 38.439 -11.739 1.00 3.64 H new ATOM 0 HZ2 LYS A 52 12.261 36.748 -11.833 1.00 3.64 H new ATOM 0 HZ3 LYS A 52 10.729 37.477 -11.752 1.00 3.64 H new ATOM 827 N ALA A 53 13.717 32.154 -6.890 1.00 0.55 N ATOM 828 CA ALA A 53 14.563 30.982 -6.523 1.00 0.49 C ATOM 829 C ALA A 53 13.754 29.672 -6.668 1.00 0.35 C ATOM 830 O ALA A 53 14.129 28.805 -7.424 1.00 0.26 O ATOM 831 CB ALA A 53 14.991 31.261 -5.116 1.00 0.65 C ATOM 0 H ALA A 53 13.868 32.972 -6.300 1.00 0.55 H new ATOM 0 HA ALA A 53 15.430 30.847 -7.170 1.00 0.49 H new ATOM 0 HB1 ALA A 53 15.622 30.447 -4.759 1.00 0.65 H new ATOM 0 HB2 ALA A 53 15.552 32.195 -5.085 1.00 0.65 H new ATOM 0 HB3 ALA A 53 14.111 31.345 -4.478 1.00 0.65 H new ATOM 837 N LYS A 54 12.656 29.555 -5.953 1.00 0.36 N ATOM 838 CA LYS A 54 11.822 28.298 -6.064 1.00 0.30 C ATOM 839 C LYS A 54 11.610 27.955 -7.528 1.00 0.24 C ATOM 840 O LYS A 54 11.888 26.866 -7.995 1.00 0.18 O ATOM 841 CB LYS A 54 10.365 28.477 -5.481 1.00 0.27 C ATOM 842 CG LYS A 54 10.268 28.490 -3.952 1.00 0.27 C ATOM 843 CD LYS A 54 10.926 29.746 -3.387 1.00 1.43 C ATOM 844 CE LYS A 54 10.730 29.765 -1.884 1.00 1.32 C ATOM 845 NZ LYS A 54 11.468 30.942 -1.338 1.00 2.05 N ATOM 0 H LYS A 54 12.301 30.259 -5.306 1.00 0.36 H new ATOM 0 HA LYS A 54 12.365 27.533 -5.509 1.00 0.30 H new ATOM 0 HB2 LYS A 54 9.951 29.410 -5.863 1.00 0.27 H new ATOM 0 HB3 LYS A 54 9.738 27.671 -5.861 1.00 0.27 H new ATOM 0 HG2 LYS A 54 9.222 28.451 -3.647 1.00 0.27 H new ATOM 0 HG3 LYS A 54 10.752 27.603 -3.543 1.00 0.27 H new ATOM 0 HD2 LYS A 54 11.989 29.757 -3.629 1.00 1.43 H new ATOM 0 HD3 LYS A 54 10.487 30.637 -3.836 1.00 1.43 H new ATOM 0 HE2 LYS A 54 9.670 29.832 -1.639 1.00 1.32 H new ATOM 0 HE3 LYS A 54 11.102 28.842 -1.439 1.00 1.32 H new ATOM 0 HZ1 LYS A 54 11.128 31.150 -0.378 1.00 2.05 H new ATOM 0 HZ2 LYS A 54 12.486 30.729 -1.306 1.00 2.05 H new ATOM 0 HZ3 LYS A 54 11.306 31.768 -1.949 1.00 2.05 H new ATOM 859 N TRP A 55 11.122 28.955 -8.201 1.00 0.28 N ATOM 860 CA TRP A 55 10.830 28.829 -9.626 1.00 0.23 C ATOM 861 C TRP A 55 11.983 28.285 -10.419 1.00 0.17 C ATOM 862 O TRP A 55 11.903 27.269 -11.077 1.00 0.13 O ATOM 863 CB TRP A 55 10.510 30.213 -10.183 1.00 0.28 C ATOM 864 CG TRP A 55 9.941 29.851 -11.518 1.00 0.22 C ATOM 865 CD1 TRP A 55 8.670 29.486 -11.674 1.00 0.22 C ATOM 866 CD2 TRP A 55 10.576 29.799 -12.694 1.00 0.21 C ATOM 867 NE1 TRP A 55 8.589 29.223 -12.940 1.00 0.20 N ATOM 868 CE2 TRP A 55 9.679 29.384 -13.630 1.00 0.21 C ATOM 869 CE3 TRP A 55 11.855 30.068 -13.082 1.00 0.24 C ATOM 870 CZ2 TRP A 55 9.988 29.230 -14.925 1.00 0.25 C ATOM 871 CZ3 TRP A 55 12.200 29.916 -14.400 1.00 0.28 C ATOM 872 CH2 TRP A 55 11.271 29.497 -15.339 1.00 0.29 C ATOM 0 H TRP A 55 10.913 29.870 -7.801 1.00 0.28 H new ATOM 0 HA TRP A 55 9.995 28.134 -9.717 1.00 0.23 H new ATOM 0 HB2 TRP A 55 9.796 30.754 -9.562 1.00 0.28 H new ATOM 0 HB3 TRP A 55 11.398 30.840 -10.268 1.00 0.28 H new ATOM 0 HD1 TRP A 55 7.894 29.424 -10.926 1.00 0.22 H new ATOM 0 HE1 TRP A 55 7.720 28.908 -13.371 1.00 0.20 H new ATOM 0 HE3 TRP A 55 12.588 30.397 -12.360 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 9.241 28.901 -15.632 1.00 0.25 H new ATOM 0 HZ3 TRP A 55 13.212 30.126 -14.712 1.00 0.28 H new ATOM 0 HH2 TRP A 55 11.550 29.382 -16.376 1.00 0.29 H new ATOM 883 N ASP A 56 13.029 29.025 -10.298 1.00 0.20 N ATOM 884 CA ASP A 56 14.270 28.664 -11.013 1.00 0.19 C ATOM 885 C ASP A 56 14.744 27.261 -10.626 1.00 0.19 C ATOM 886 O ASP A 56 15.015 26.464 -11.499 1.00 0.19 O ATOM 887 CB ASP A 56 15.208 29.803 -10.760 1.00 0.24 C ATOM 888 CG ASP A 56 14.910 30.936 -11.722 1.00 0.14 C ATOM 889 OD1 ASP A 56 15.032 30.655 -12.900 1.00 1.21 O ATOM 890 OD2 ASP A 56 14.571 32.022 -11.285 1.00 0.95 O ATOM 0 H ASP A 56 13.083 29.872 -9.732 1.00 0.20 H new ATOM 0 HA ASP A 56 14.156 28.558 -12.092 1.00 0.19 H new ATOM 0 HB2 ASP A 56 15.105 30.150 -9.732 1.00 0.24 H new ATOM 0 HB3 ASP A 56 16.239 29.471 -10.882 1.00 0.24 H new ATOM 895 N ALA A 57 14.828 26.994 -9.351 1.00 0.20 N ATOM 896 CA ALA A 57 15.266 25.665 -8.879 1.00 0.20 C ATOM 897 C ALA A 57 14.448 24.561 -9.581 1.00 0.16 C ATOM 898 O ALA A 57 14.966 23.527 -9.935 1.00 0.19 O ATOM 899 CB ALA A 57 15.008 25.706 -7.408 1.00 0.19 C ATOM 0 H ALA A 57 14.606 27.658 -8.609 1.00 0.20 H new ATOM 0 HA ALA A 57 16.310 25.444 -9.098 1.00 0.20 H new ATOM 0 HB1 ALA A 57 15.303 24.757 -6.960 1.00 0.19 H new ATOM 0 HB2 ALA A 57 15.586 26.514 -6.960 1.00 0.19 H new ATOM 0 HB3 ALA A 57 13.946 25.877 -7.229 1.00 0.19 H new ATOM 905 N TRP A 58 13.175 24.791 -9.760 1.00 0.26 N ATOM 906 CA TRP A 58 12.314 23.774 -10.442 1.00 0.25 C ATOM 907 C TRP A 58 12.529 23.869 -11.973 1.00 0.32 C ATOM 908 O TRP A 58 12.767 22.869 -12.624 1.00 0.40 O ATOM 909 CB TRP A 58 10.869 24.041 -10.077 1.00 0.14 C ATOM 910 CG TRP A 58 9.917 23.043 -10.801 1.00 0.09 C ATOM 911 CD1 TRP A 58 10.225 21.945 -11.570 1.00 0.13 C ATOM 912 CD2 TRP A 58 8.581 23.165 -10.772 1.00 0.06 C ATOM 913 NE1 TRP A 58 9.019 21.532 -11.926 1.00 0.13 N ATOM 914 CE2 TRP A 58 7.978 22.196 -11.499 1.00 0.12 C ATOM 915 CE3 TRP A 58 7.830 24.085 -10.133 1.00 0.06 C ATOM 916 CZ2 TRP A 58 6.610 22.128 -11.610 1.00 0.18 C ATOM 917 CZ3 TRP A 58 6.456 24.051 -10.213 1.00 0.15 C ATOM 918 CH2 TRP A 58 5.839 23.068 -10.962 1.00 0.21 C ATOM 0 H TRP A 58 12.691 25.639 -9.464 1.00 0.26 H new ATOM 0 HA TRP A 58 12.578 22.766 -10.121 1.00 0.25 H new ATOM 0 HB2 TRP A 58 10.741 23.954 -8.998 1.00 0.14 H new ATOM 0 HB3 TRP A 58 10.605 25.063 -10.348 1.00 0.14 H new ATOM 0 HD1 TRP A 58 11.191 21.531 -11.817 1.00 0.13 H new ATOM 0 HE1 TRP A 58 8.905 20.712 -12.522 1.00 0.13 H new ATOM 0 HE3 TRP A 58 8.312 24.857 -9.552 1.00 0.06 H new ATOM 0 HZ2 TRP A 58 6.146 21.349 -12.197 1.00 0.18 H new ATOM 0 HZ3 TRP A 58 5.864 24.789 -9.693 1.00 0.15 H new ATOM 0 HH2 TRP A 58 4.762 23.037 -11.039 1.00 0.21 H new ATOM 929 N ASN A 59 12.429 25.042 -12.534 1.00 0.31 N ATOM 930 CA ASN A 59 12.633 25.221 -13.996 1.00 0.35 C ATOM 931 C ASN A 59 13.937 24.472 -14.378 1.00 0.34 C ATOM 932 O ASN A 59 13.972 23.741 -15.342 1.00 0.32 O ATOM 933 CB ASN A 59 12.607 26.728 -14.162 1.00 0.40 C ATOM 934 CG ASN A 59 13.413 27.215 -15.315 1.00 0.34 C ATOM 935 OD1 ASN A 59 14.211 28.158 -14.979 1.00 0.32 O flip ATOM 936 ND2 ASN A 59 13.334 26.786 -16.448 1.00 0.37 N flip ATOM 0 H ASN A 59 12.210 25.901 -12.029 1.00 0.31 H new ATOM 0 HA ASN A 59 11.891 24.799 -14.674 1.00 0.35 H new ATOM 0 HB2 ASN A 59 11.574 27.053 -14.288 1.00 0.40 H new ATOM 0 HB3 ASN A 59 12.978 27.192 -13.248 1.00 0.40 H new ATOM 0 HD21 ASN A 59 12.681 26.033 -16.664 1.00 0.37 H new ATOM 0 HD22 ASN A 59 13.921 27.179 -17.184 1.00 0.37 H new ATOM 943 N GLU A 60 14.943 24.686 -13.579 1.00 0.33 N ATOM 944 CA GLU A 60 16.296 24.066 -13.733 1.00 0.31 C ATOM 945 C GLU A 60 16.172 22.584 -14.091 1.00 0.33 C ATOM 946 O GLU A 60 16.874 22.027 -14.911 1.00 0.46 O ATOM 947 CB GLU A 60 16.969 24.229 -12.362 1.00 0.31 C ATOM 948 CG GLU A 60 18.380 23.598 -12.290 1.00 0.52 C ATOM 949 CD GLU A 60 18.860 23.674 -10.835 1.00 1.28 C ATOM 950 OE1 GLU A 60 19.293 24.749 -10.445 1.00 1.04 O ATOM 951 OE2 GLU A 60 18.739 22.624 -10.221 1.00 2.55 O ATOM 0 H GLU A 60 14.878 25.306 -12.772 1.00 0.33 H new ATOM 0 HA GLU A 60 16.870 24.536 -14.532 1.00 0.31 H new ATOM 0 HB2 GLU A 60 17.042 25.291 -12.125 1.00 0.31 H new ATOM 0 HB3 GLU A 60 16.337 23.775 -11.599 1.00 0.31 H new ATOM 0 HG2 GLU A 60 18.352 22.562 -12.628 1.00 0.52 H new ATOM 0 HG3 GLU A 60 19.069 24.129 -12.947 1.00 0.52 H new ATOM 958 N LEU A 61 15.224 21.994 -13.428 1.00 0.21 N ATOM 959 CA LEU A 61 14.903 20.557 -13.589 1.00 0.20 C ATOM 960 C LEU A 61 14.068 20.210 -14.801 1.00 0.25 C ATOM 961 O LEU A 61 14.377 19.301 -15.550 1.00 0.37 O ATOM 962 CB LEU A 61 14.055 20.183 -12.455 1.00 0.14 C ATOM 963 CG LEU A 61 14.643 20.674 -11.172 1.00 0.16 C ATOM 964 CD1 LEU A 61 13.816 20.119 -10.170 1.00 0.12 C ATOM 965 CD2 LEU A 61 16.031 20.205 -10.980 1.00 0.20 C ATOM 0 H LEU A 61 14.632 22.474 -12.750 1.00 0.21 H new ATOM 0 HA LEU A 61 15.863 20.048 -13.675 1.00 0.20 H new ATOM 0 HB2 LEU A 61 13.057 20.601 -12.587 1.00 0.14 H new ATOM 0 HB3 LEU A 61 13.944 19.099 -12.419 1.00 0.14 H new ATOM 0 HG LEU A 61 14.684 21.763 -11.152 1.00 0.16 H new ATOM 0 HD11 LEU A 61 14.176 20.429 -9.189 1.00 0.12 H new ATOM 0 HD12 LEU A 61 12.793 20.468 -10.308 1.00 0.12 H new ATOM 0 HD13 LEU A 61 13.841 19.031 -10.239 1.00 0.12 H new ATOM 0 HD21 LEU A 61 16.417 20.587 -10.035 1.00 0.20 H new ATOM 0 HD22 LEU A 61 16.048 19.115 -10.965 1.00 0.20 H new ATOM 0 HD23 LEU A 61 16.654 20.567 -11.798 1.00 0.20 H new ATOM 977 N LYS A 62 13.034 21.011 -14.883 1.00 0.37 N ATOM 978 CA LYS A 62 11.983 20.969 -15.932 1.00 0.56 C ATOM 979 C LYS A 62 12.392 20.099 -17.135 1.00 0.64 C ATOM 980 O LYS A 62 12.822 20.535 -18.191 1.00 0.81 O ATOM 981 CB LYS A 62 11.610 22.390 -16.285 1.00 0.57 C ATOM 982 CG LYS A 62 10.425 22.265 -17.228 1.00 0.88 C ATOM 983 CD LYS A 62 10.419 23.333 -18.337 1.00 1.54 C ATOM 984 CE LYS A 62 11.628 23.194 -19.254 1.00 0.81 C ATOM 985 NZ LYS A 62 11.531 21.928 -20.045 1.00 0.46 N ATOM 0 H LYS A 62 12.873 21.752 -14.201 1.00 0.37 H new ATOM 0 HA LYS A 62 11.090 20.472 -15.552 1.00 0.56 H new ATOM 0 HB2 LYS A 62 11.347 22.961 -15.395 1.00 0.57 H new ATOM 0 HB3 LYS A 62 12.441 22.909 -16.763 1.00 0.57 H new ATOM 0 HG2 LYS A 62 10.435 21.276 -17.685 1.00 0.88 H new ATOM 0 HG3 LYS A 62 9.502 22.341 -16.654 1.00 0.88 H new ATOM 0 HD2 LYS A 62 9.504 23.245 -18.923 1.00 1.54 H new ATOM 0 HD3 LYS A 62 10.415 24.326 -17.887 1.00 1.54 H new ATOM 0 HE2 LYS A 62 11.684 24.049 -19.927 1.00 0.81 H new ATOM 0 HE3 LYS A 62 12.544 23.193 -18.663 1.00 0.81 H new ATOM 0 HZ1 LYS A 62 11.787 22.117 -21.035 1.00 0.46 H new ATOM 0 HZ2 LYS A 62 12.182 21.220 -19.648 1.00 0.46 H new ATOM 0 HZ3 LYS A 62 10.557 21.566 -20.002 1.00 0.46 H new ATOM 999 N GLY A 63 12.161 18.862 -16.817 1.00 0.56 N ATOM 1000 CA GLY A 63 12.434 17.672 -17.684 1.00 0.63 C ATOM 1001 C GLY A 63 13.290 16.584 -16.980 1.00 0.56 C ATOM 1002 O GLY A 63 13.731 15.670 -17.650 1.00 0.63 O ATOM 0 H GLY A 63 11.760 18.604 -15.915 1.00 0.56 H new ATOM 0 HA2 GLY A 63 11.486 17.233 -17.996 1.00 0.63 H new ATOM 0 HA3 GLY A 63 12.947 18.000 -18.588 1.00 0.63 H new ATOM 1006 N THR A 64 13.532 16.644 -15.683 1.00 0.46 N ATOM 1007 CA THR A 64 14.347 15.579 -15.052 1.00 0.45 C ATOM 1008 C THR A 64 13.554 14.260 -15.051 1.00 0.47 C ATOM 1009 O THR A 64 12.344 14.256 -14.908 1.00 0.39 O ATOM 1010 CB THR A 64 14.541 16.098 -13.606 1.00 0.44 C ATOM 1011 OG1 THR A 64 15.873 16.576 -13.567 1.00 0.64 O ATOM 1012 CG2 THR A 64 14.500 15.027 -12.567 1.00 0.31 C ATOM 0 H THR A 64 13.201 17.377 -15.055 1.00 0.46 H new ATOM 0 HA THR A 64 15.290 15.382 -15.562 1.00 0.45 H new ATOM 0 HB THR A 64 13.749 16.816 -13.395 1.00 0.44 H new ATOM 0 HG1 THR A 64 16.069 16.926 -12.673 1.00 0.64 H new ATOM 0 HG21 THR A 64 14.643 15.470 -11.582 1.00 0.31 H new ATOM 0 HG22 THR A 64 13.534 14.524 -12.601 1.00 0.31 H new ATOM 0 HG23 THR A 64 15.293 14.304 -12.758 1.00 0.31 H new ATOM 1020 N SER A 65 14.226 13.149 -15.187 1.00 0.63 N ATOM 1021 CA SER A 65 13.512 11.820 -15.189 1.00 0.68 C ATOM 1022 C SER A 65 12.867 11.664 -13.793 1.00 0.56 C ATOM 1023 O SER A 65 13.467 11.109 -12.908 1.00 1.10 O ATOM 1024 CB SER A 65 14.554 10.695 -15.514 1.00 1.02 C ATOM 1025 OG SER A 65 15.761 11.113 -14.882 1.00 1.56 O ATOM 0 H SER A 65 15.239 13.095 -15.297 1.00 0.63 H new ATOM 0 HA SER A 65 12.730 11.752 -15.945 1.00 0.68 H new ATOM 0 HB2 SER A 65 14.223 9.729 -15.132 1.00 1.02 H new ATOM 0 HB3 SER A 65 14.691 10.583 -16.590 1.00 1.02 H new ATOM 0 HG SER A 65 15.870 10.633 -14.034 1.00 1.56 H new ATOM 1031 N LYS A 66 11.654 12.161 -13.676 1.00 0.31 N ATOM 1032 CA LYS A 66 10.752 12.196 -12.463 1.00 0.31 C ATOM 1033 C LYS A 66 11.088 11.367 -11.220 1.00 0.22 C ATOM 1034 O LYS A 66 10.900 11.774 -10.088 1.00 0.28 O ATOM 1035 CB LYS A 66 9.399 11.698 -12.975 1.00 0.44 C ATOM 1036 CG LYS A 66 8.688 12.764 -13.831 1.00 1.17 C ATOM 1037 CD LYS A 66 7.222 12.281 -14.048 1.00 1.12 C ATOM 1038 CE LYS A 66 6.489 13.215 -15.017 1.00 2.36 C ATOM 1039 NZ LYS A 66 7.139 13.035 -16.362 1.00 3.57 N ATOM 0 H LYS A 66 11.201 12.598 -14.478 1.00 0.31 H new ATOM 0 HA LYS A 66 10.830 13.217 -12.090 1.00 0.31 H new ATOM 0 HB2 LYS A 66 9.544 10.794 -13.566 1.00 0.44 H new ATOM 0 HB3 LYS A 66 8.766 11.429 -12.129 1.00 0.44 H new ATOM 0 HG2 LYS A 66 8.704 13.732 -13.330 1.00 1.17 H new ATOM 0 HG3 LYS A 66 9.196 12.891 -14.787 1.00 1.17 H new ATOM 0 HD2 LYS A 66 7.222 11.265 -14.442 1.00 1.12 H new ATOM 0 HD3 LYS A 66 6.697 12.252 -13.093 1.00 1.12 H new ATOM 0 HE2 LYS A 66 5.428 12.970 -15.064 1.00 2.36 H new ATOM 0 HE3 LYS A 66 6.562 14.251 -14.687 1.00 2.36 H new ATOM 0 HZ1 LYS A 66 6.468 13.303 -17.110 1.00 3.57 H new ATOM 0 HZ2 LYS A 66 7.985 13.637 -16.422 1.00 3.57 H new ATOM 0 HZ3 LYS A 66 7.414 12.039 -16.484 1.00 3.57 H new ATOM 1053 N GLU A 67 11.579 10.213 -11.491 1.00 0.14 N ATOM 1054 CA GLU A 67 11.975 9.246 -10.462 1.00 0.20 C ATOM 1055 C GLU A 67 13.102 9.869 -9.655 1.00 0.17 C ATOM 1056 O GLU A 67 13.106 9.850 -8.436 1.00 0.20 O ATOM 1057 CB GLU A 67 12.406 8.068 -11.345 1.00 0.37 C ATOM 1058 CG GLU A 67 11.170 7.510 -12.159 1.00 1.29 C ATOM 1059 CD GLU A 67 9.986 7.246 -11.238 1.00 1.47 C ATOM 1060 OE1 GLU A 67 9.979 6.161 -10.694 1.00 1.35 O ATOM 1061 OE2 GLU A 67 9.155 8.132 -11.117 1.00 2.47 O ATOM 0 H GLU A 67 11.731 9.882 -12.444 1.00 0.14 H new ATOM 0 HA GLU A 67 11.231 8.948 -9.724 1.00 0.20 H new ATOM 0 HB2 GLU A 67 13.189 8.388 -12.033 1.00 0.37 H new ATOM 0 HB3 GLU A 67 12.829 7.277 -10.726 1.00 0.37 H new ATOM 0 HG2 GLU A 67 10.884 8.226 -12.929 1.00 1.29 H new ATOM 0 HG3 GLU A 67 11.451 6.589 -12.669 1.00 1.29 H new ATOM 1068 N ASP A 68 14.043 10.427 -10.373 1.00 0.15 N ATOM 1069 CA ASP A 68 15.187 11.072 -9.744 1.00 0.16 C ATOM 1070 C ASP A 68 14.683 12.094 -8.761 1.00 0.17 C ATOM 1071 O ASP A 68 15.026 12.059 -7.600 1.00 0.28 O ATOM 1072 CB ASP A 68 16.044 11.595 -10.861 1.00 0.11 C ATOM 1073 CG ASP A 68 16.817 10.404 -11.378 1.00 0.17 C ATOM 1074 OD1 ASP A 68 17.828 10.161 -10.731 1.00 1.34 O ATOM 1075 OD2 ASP A 68 16.336 9.841 -12.343 1.00 0.92 O ATOM 0 H ASP A 68 14.048 10.452 -11.393 1.00 0.15 H new ATOM 0 HA ASP A 68 15.813 10.407 -9.149 1.00 0.16 H new ATOM 0 HB2 ASP A 68 15.433 12.037 -11.648 1.00 0.11 H new ATOM 0 HB3 ASP A 68 16.718 12.374 -10.505 1.00 0.11 H new ATOM 1080 N ALA A 69 13.879 12.953 -9.306 1.00 0.14 N ATOM 1081 CA ALA A 69 13.240 14.054 -8.534 1.00 0.14 C ATOM 1082 C ALA A 69 12.746 13.495 -7.178 1.00 0.15 C ATOM 1083 O ALA A 69 13.026 14.095 -6.161 1.00 0.25 O ATOM 1084 CB ALA A 69 12.149 14.615 -9.404 1.00 0.18 C ATOM 0 H ALA A 69 13.627 12.939 -10.294 1.00 0.14 H new ATOM 0 HA ALA A 69 13.926 14.865 -8.288 1.00 0.14 H new ATOM 0 HB1 ALA A 69 11.648 15.429 -8.880 1.00 0.18 H new ATOM 0 HB2 ALA A 69 12.581 14.992 -10.331 1.00 0.18 H new ATOM 0 HB3 ALA A 69 11.426 13.831 -9.632 1.00 0.18 H new ATOM 1090 N MET A 70 12.045 12.376 -7.195 1.00 0.07 N ATOM 1091 CA MET A 70 11.539 11.749 -5.970 1.00 0.08 C ATOM 1092 C MET A 70 12.641 11.202 -5.063 1.00 0.07 C ATOM 1093 O MET A 70 12.769 11.578 -3.918 1.00 0.08 O ATOM 1094 CB MET A 70 10.724 10.510 -6.402 1.00 0.08 C ATOM 1095 CG MET A 70 9.366 10.899 -6.975 1.00 0.08 C ATOM 1096 SD MET A 70 8.089 9.622 -7.062 1.00 0.25 S ATOM 1097 CE MET A 70 6.716 10.774 -7.315 1.00 0.27 C ATOM 0 H MET A 70 11.807 11.872 -8.049 1.00 0.07 H new ATOM 0 HA MET A 70 10.979 12.511 -5.427 1.00 0.08 H new ATOM 0 HB2 MET A 70 11.286 9.947 -7.148 1.00 0.08 H new ATOM 0 HB3 MET A 70 10.582 9.851 -5.545 1.00 0.08 H new ATOM 0 HG2 MET A 70 8.975 11.723 -6.379 1.00 0.08 H new ATOM 0 HG3 MET A 70 9.525 11.282 -7.983 1.00 0.08 H new ATOM 0 HE1 MET A 70 5.809 10.214 -7.543 1.00 0.27 H new ATOM 0 HE2 MET A 70 6.562 11.361 -6.410 1.00 0.27 H new ATOM 0 HE3 MET A 70 6.949 11.441 -8.145 1.00 0.27 H new ATOM 1107 N LYS A 71 13.411 10.307 -5.612 1.00 0.07 N ATOM 1108 CA LYS A 71 14.524 9.667 -4.867 1.00 0.08 C ATOM 1109 C LYS A 71 15.259 10.806 -4.180 1.00 0.05 C ATOM 1110 O LYS A 71 15.309 10.910 -2.974 1.00 0.08 O ATOM 1111 CB LYS A 71 15.306 8.865 -5.932 1.00 0.17 C ATOM 1112 CG LYS A 71 16.669 9.388 -6.302 1.00 1.96 C ATOM 1113 CD LYS A 71 17.374 8.351 -7.223 1.00 1.71 C ATOM 1114 CE LYS A 71 18.782 8.827 -7.596 1.00 2.92 C ATOM 1115 NZ LYS A 71 18.634 10.168 -8.241 1.00 3.68 N ATOM 0 H LYS A 71 13.310 9.985 -6.574 1.00 0.07 H new ATOM 0 HA LYS A 71 14.268 8.960 -4.078 1.00 0.08 H new ATOM 0 HB2 LYS A 71 15.419 7.842 -5.573 1.00 0.17 H new ATOM 0 HB3 LYS A 71 14.701 8.820 -6.837 1.00 0.17 H new ATOM 0 HG2 LYS A 71 16.579 10.346 -6.813 1.00 1.96 H new ATOM 0 HG3 LYS A 71 17.263 9.560 -5.404 1.00 1.96 H new ATOM 0 HD2 LYS A 71 17.433 7.388 -6.716 1.00 1.71 H new ATOM 0 HD3 LYS A 71 16.784 8.200 -8.127 1.00 1.71 H new ATOM 0 HE2 LYS A 71 19.414 8.893 -6.710 1.00 2.92 H new ATOM 0 HE3 LYS A 71 19.260 8.122 -8.277 1.00 2.92 H new ATOM 0 HZ1 LYS A 71 19.542 10.453 -8.661 1.00 3.68 H new ATOM 0 HZ2 LYS A 71 17.909 10.117 -8.985 1.00 3.68 H new ATOM 0 HZ3 LYS A 71 18.349 10.867 -7.526 1.00 3.68 H new ATOM 1129 N ALA A 72 15.766 11.636 -5.040 1.00 0.06 N ATOM 1130 CA ALA A 72 16.532 12.837 -4.621 1.00 0.11 C ATOM 1131 C ALA A 72 15.771 13.493 -3.436 1.00 0.06 C ATOM 1132 O ALA A 72 16.256 13.597 -2.329 1.00 0.10 O ATOM 1133 CB ALA A 72 16.612 13.710 -5.879 1.00 0.19 C ATOM 0 H ALA A 72 15.678 11.528 -6.050 1.00 0.06 H new ATOM 0 HA ALA A 72 17.542 12.643 -4.261 1.00 0.11 H new ATOM 0 HB1 ALA A 72 17.165 14.622 -5.654 1.00 0.19 H new ATOM 0 HB2 ALA A 72 17.123 13.162 -6.671 1.00 0.19 H new ATOM 0 HB3 ALA A 72 15.605 13.968 -6.208 1.00 0.19 H new ATOM 1139 N TYR A 73 14.571 13.906 -3.741 1.00 0.02 N ATOM 1140 CA TYR A 73 13.670 14.551 -2.743 1.00 0.03 C ATOM 1141 C TYR A 73 13.798 13.955 -1.324 1.00 0.11 C ATOM 1142 O TYR A 73 14.079 14.652 -0.372 1.00 0.17 O ATOM 1143 CB TYR A 73 12.265 14.241 -3.231 1.00 0.10 C ATOM 1144 CG TYR A 73 11.215 15.081 -2.588 1.00 0.12 C ATOM 1145 CD1 TYR A 73 11.021 16.347 -3.031 1.00 0.73 C ATOM 1146 CD2 TYR A 73 10.466 14.593 -1.562 1.00 0.92 C ATOM 1147 CE1 TYR A 73 10.081 17.136 -2.438 1.00 0.73 C ATOM 1148 CE2 TYR A 73 9.529 15.394 -0.985 1.00 0.91 C ATOM 1149 CZ TYR A 73 9.324 16.674 -1.409 1.00 0.17 C ATOM 1150 OH TYR A 73 8.392 17.508 -0.828 1.00 0.23 O ATOM 0 H TYR A 73 14.165 13.820 -4.673 1.00 0.02 H new ATOM 0 HA TYR A 73 13.916 15.610 -2.669 1.00 0.03 H new ATOM 0 HB2 TYR A 73 12.224 14.385 -4.311 1.00 0.10 H new ATOM 0 HB3 TYR A 73 12.046 13.190 -3.041 1.00 0.10 H new ATOM 0 HD1 TYR A 73 11.610 16.730 -3.852 1.00 0.73 H new ATOM 0 HD2 TYR A 73 10.613 13.583 -1.210 1.00 0.92 H new ATOM 0 HE1 TYR A 73 9.936 18.146 -2.792 1.00 0.73 H new ATOM 0 HE2 TYR A 73 8.933 15.007 -0.172 1.00 0.91 H new ATOM 0 HH TYR A 73 7.597 17.559 -1.399 1.00 0.23 H new ATOM 1160 N ILE A 74 13.615 12.663 -1.237 1.00 0.14 N ATOM 1161 CA ILE A 74 13.696 11.980 0.111 1.00 0.20 C ATOM 1162 C ILE A 74 15.153 12.033 0.556 1.00 0.22 C ATOM 1163 O ILE A 74 15.504 12.592 1.583 1.00 0.27 O ATOM 1164 CB ILE A 74 13.479 10.405 0.091 1.00 0.25 C ATOM 1165 CG1 ILE A 74 12.506 9.886 -0.962 1.00 0.27 C ATOM 1166 CG2 ILE A 74 13.062 10.005 1.519 1.00 0.23 C ATOM 1167 CD1 ILE A 74 13.055 8.522 -1.422 1.00 0.66 C ATOM 0 H ILE A 74 13.415 12.048 -2.026 1.00 0.14 H new ATOM 0 HA ILE A 74 12.939 12.479 0.716 1.00 0.20 H new ATOM 0 HB ILE A 74 14.414 9.932 -0.210 1.00 0.25 H new ATOM 0 HG12 ILE A 74 11.503 9.782 -0.547 1.00 0.27 H new ATOM 0 HG13 ILE A 74 12.434 10.579 -1.800 1.00 0.27 H new ATOM 0 HG21 ILE A 74 12.899 8.928 1.562 1.00 0.23 H new ATOM 0 HG22 ILE A 74 13.850 10.281 2.219 1.00 0.23 H new ATOM 0 HG23 ILE A 74 12.141 10.522 1.787 1.00 0.23 H new ATOM 0 HD11 ILE A 74 12.395 8.101 -2.180 1.00 0.66 H new ATOM 0 HD12 ILE A 74 14.052 8.654 -1.842 1.00 0.66 H new ATOM 0 HD13 ILE A 74 13.107 7.845 -0.570 1.00 0.66 H new ATOM 1179 N ASP A 75 15.931 11.407 -0.301 1.00 0.20 N ATOM 1180 CA ASP A 75 17.394 11.255 -0.180 1.00 0.27 C ATOM 1181 C ASP A 75 18.046 12.511 0.370 1.00 0.28 C ATOM 1182 O ASP A 75 19.072 12.461 1.022 1.00 0.40 O ATOM 1183 CB ASP A 75 17.886 10.800 -1.576 1.00 0.31 C ATOM 1184 CG ASP A 75 17.347 9.430 -2.040 1.00 0.41 C ATOM 1185 OD1 ASP A 75 16.623 8.814 -1.278 1.00 0.81 O ATOM 1186 OD2 ASP A 75 17.712 9.096 -3.157 1.00 1.46 O ATOM 0 H ASP A 75 15.561 10.966 -1.143 1.00 0.20 H new ATOM 0 HA ASP A 75 17.683 10.503 0.554 1.00 0.27 H new ATOM 0 HB2 ASP A 75 17.600 11.554 -2.309 1.00 0.31 H new ATOM 0 HB3 ASP A 75 18.975 10.761 -1.567 1.00 0.31 H new ATOM 1191 N LYS A 76 17.409 13.609 0.069 1.00 0.17 N ATOM 1192 CA LYS A 76 17.898 14.930 0.529 1.00 0.17 C ATOM 1193 C LYS A 76 17.117 15.405 1.771 1.00 0.21 C ATOM 1194 O LYS A 76 17.743 15.855 2.705 1.00 0.32 O ATOM 1195 CB LYS A 76 17.757 15.875 -0.649 1.00 0.15 C ATOM 1196 CG LYS A 76 19.052 16.720 -0.834 1.00 0.21 C ATOM 1197 CD LYS A 76 19.099 17.810 0.288 1.00 1.66 C ATOM 1198 CE LYS A 76 20.485 18.451 0.420 1.00 1.60 C ATOM 1199 NZ LYS A 76 21.396 17.450 1.059 1.00 1.05 N ATOM 0 H LYS A 76 16.555 13.642 -0.487 1.00 0.17 H new ATOM 0 HA LYS A 76 18.940 14.886 0.845 1.00 0.17 H new ATOM 0 HB2 LYS A 76 17.555 15.306 -1.556 1.00 0.15 H new ATOM 0 HB3 LYS A 76 16.905 16.536 -0.492 1.00 0.15 H new ATOM 0 HG2 LYS A 76 19.933 16.080 -0.778 1.00 0.21 H new ATOM 0 HG3 LYS A 76 19.061 17.189 -1.818 1.00 0.21 H new ATOM 0 HD2 LYS A 76 18.363 18.584 0.071 1.00 1.66 H new ATOM 0 HD3 LYS A 76 18.817 17.360 1.240 1.00 1.66 H new ATOM 0 HE2 LYS A 76 20.865 18.743 -0.559 1.00 1.60 H new ATOM 0 HE3 LYS A 76 20.430 19.357 1.024 1.00 1.60 H new ATOM 0 HZ1 LYS A 76 21.845 17.874 1.896 1.00 1.05 H new ATOM 0 HZ2 LYS A 76 20.847 16.615 1.346 1.00 1.05 H new ATOM 0 HZ3 LYS A 76 22.130 17.165 0.380 1.00 1.05 H new ATOM 1213 N VAL A 77 15.800 15.314 1.787 1.00 0.25 N ATOM 1214 CA VAL A 77 14.955 15.741 2.930 1.00 0.26 C ATOM 1215 C VAL A 77 15.627 15.425 4.253 1.00 0.31 C ATOM 1216 O VAL A 77 15.579 16.222 5.161 1.00 0.30 O ATOM 1217 CB VAL A 77 13.616 15.023 2.718 1.00 0.24 C ATOM 1218 CG1 VAL A 77 13.049 14.554 3.995 1.00 0.29 C ATOM 1219 CG2 VAL A 77 12.641 16.006 2.053 1.00 0.17 C ATOM 0 H VAL A 77 15.263 14.939 1.005 1.00 0.25 H new ATOM 0 HA VAL A 77 14.799 16.819 2.971 1.00 0.26 H new ATOM 0 HB VAL A 77 13.778 14.150 2.086 1.00 0.24 H new ATOM 0 HG11 VAL A 77 12.101 14.050 3.809 1.00 0.29 H new ATOM 0 HG12 VAL A 77 13.743 13.859 4.468 1.00 0.29 H new ATOM 0 HG13 VAL A 77 12.884 15.406 4.654 1.00 0.29 H new ATOM 0 HG21 VAL A 77 11.681 15.515 1.893 1.00 0.17 H new ATOM 0 HG22 VAL A 77 12.502 16.873 2.699 1.00 0.17 H new ATOM 0 HG23 VAL A 77 13.047 16.329 1.094 1.00 0.17 H new ATOM 1229 N GLU A 78 16.199 14.253 4.332 1.00 0.35 N ATOM 1230 CA GLU A 78 16.915 13.855 5.605 1.00 0.42 C ATOM 1231 C GLU A 78 17.647 15.060 6.259 1.00 0.40 C ATOM 1232 O GLU A 78 17.676 15.190 7.470 1.00 0.40 O ATOM 1233 CB GLU A 78 17.846 12.650 5.340 1.00 0.54 C ATOM 1234 CG GLU A 78 17.096 11.312 5.682 1.00 0.71 C ATOM 1235 CD GLU A 78 16.653 11.120 7.155 1.00 0.66 C ATOM 1236 OE1 GLU A 78 16.969 11.933 8.015 1.00 0.57 O ATOM 1237 OE2 GLU A 78 15.993 10.114 7.314 1.00 1.51 O ATOM 0 H GLU A 78 16.209 13.555 3.588 1.00 0.35 H new ATOM 0 HA GLU A 78 16.173 13.535 6.336 1.00 0.42 H new ATOM 0 HB2 GLU A 78 18.161 12.645 4.296 1.00 0.54 H new ATOM 0 HB3 GLU A 78 18.749 12.736 5.945 1.00 0.54 H new ATOM 0 HG2 GLU A 78 16.211 11.247 5.049 1.00 0.71 H new ATOM 0 HG3 GLU A 78 17.745 10.479 5.410 1.00 0.71 H new ATOM 1244 N GLU A 79 18.223 15.899 5.441 1.00 0.44 N ATOM 1245 CA GLU A 79 18.946 17.106 5.952 1.00 0.48 C ATOM 1246 C GLU A 79 17.901 17.905 6.756 1.00 0.39 C ATOM 1247 O GLU A 79 18.084 18.185 7.914 1.00 0.35 O ATOM 1248 CB GLU A 79 19.461 17.889 4.717 1.00 0.58 C ATOM 1249 CG GLU A 79 20.524 17.012 3.989 1.00 0.55 C ATOM 1250 CD GLU A 79 21.942 17.550 4.198 1.00 1.09 C ATOM 1251 OE1 GLU A 79 22.203 18.548 3.545 1.00 1.35 O ATOM 1252 OE2 GLU A 79 22.645 16.934 4.977 1.00 1.95 O ATOM 0 H GLU A 79 18.225 15.800 4.426 1.00 0.44 H new ATOM 0 HA GLU A 79 19.802 16.882 6.589 1.00 0.48 H new ATOM 0 HB2 GLU A 79 18.636 18.122 4.044 1.00 0.58 H new ATOM 0 HB3 GLU A 79 19.899 18.838 5.025 1.00 0.58 H new ATOM 0 HG2 GLU A 79 20.465 15.988 4.358 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.301 16.980 2.923 1.00 0.55 H new ATOM 1259 N LEU A 80 16.805 18.224 6.128 1.00 0.37 N ATOM 1260 CA LEU A 80 15.682 18.997 6.745 1.00 0.33 C ATOM 1261 C LEU A 80 15.085 18.314 7.951 1.00 0.28 C ATOM 1262 O LEU A 80 14.826 18.881 8.996 1.00 0.37 O ATOM 1263 CB LEU A 80 14.694 19.144 5.645 1.00 0.26 C ATOM 1264 CG LEU A 80 15.475 19.654 4.397 1.00 0.28 C ATOM 1265 CD1 LEU A 80 14.435 20.215 3.588 1.00 0.28 C ATOM 1266 CD2 LEU A 80 16.490 20.768 4.746 1.00 0.33 C ATOM 0 H LEU A 80 16.631 17.966 5.157 1.00 0.37 H new ATOM 0 HA LEU A 80 16.024 19.956 7.135 1.00 0.33 H new ATOM 0 HB2 LEU A 80 14.208 18.192 5.433 1.00 0.26 H new ATOM 0 HB3 LEU A 80 13.909 19.847 5.923 1.00 0.26 H new ATOM 0 HG LEU A 80 16.054 18.858 3.929 1.00 0.28 H new ATOM 0 HD11 LEU A 80 14.864 20.613 2.668 1.00 0.28 H new ATOM 0 HD12 LEU A 80 13.707 19.442 3.344 1.00 0.28 H new ATOM 0 HD13 LEU A 80 13.942 21.018 4.135 1.00 0.28 H new ATOM 0 HD21 LEU A 80 17.006 21.087 3.840 1.00 0.33 H new ATOM 0 HD22 LEU A 80 15.963 21.617 5.181 1.00 0.33 H new ATOM 0 HD23 LEU A 80 17.217 20.386 5.463 1.00 0.33 H new ATOM 1278 N LYS A 81 14.883 17.059 7.738 1.00 0.14 N ATOM 1279 CA LYS A 81 14.306 16.232 8.823 1.00 0.10 C ATOM 1280 C LYS A 81 15.159 16.329 10.093 1.00 0.21 C ATOM 1281 O LYS A 81 14.660 16.138 11.181 1.00 0.28 O ATOM 1282 CB LYS A 81 14.273 14.862 8.288 1.00 0.04 C ATOM 1283 CG LYS A 81 13.702 13.927 9.346 1.00 0.19 C ATOM 1284 CD LYS A 81 13.394 12.568 8.693 1.00 0.20 C ATOM 1285 CE LYS A 81 12.625 11.700 9.688 1.00 1.04 C ATOM 1286 NZ LYS A 81 11.346 12.409 9.995 1.00 1.97 N ATOM 0 H LYS A 81 15.089 16.567 6.868 1.00 0.14 H new ATOM 0 HA LYS A 81 13.309 16.566 9.112 1.00 0.10 H new ATOM 0 HB2 LYS A 81 13.663 14.825 7.385 1.00 0.04 H new ATOM 0 HB3 LYS A 81 15.277 14.544 8.007 1.00 0.04 H new ATOM 0 HG2 LYS A 81 14.414 13.801 10.162 1.00 0.19 H new ATOM 0 HG3 LYS A 81 12.796 14.353 9.776 1.00 0.19 H new ATOM 0 HD2 LYS A 81 12.807 12.711 7.786 1.00 0.20 H new ATOM 0 HD3 LYS A 81 14.320 12.073 8.399 1.00 0.20 H new ATOM 0 HE2 LYS A 81 12.427 10.714 9.266 1.00 1.04 H new ATOM 0 HE3 LYS A 81 13.208 11.547 10.596 1.00 1.04 H new ATOM 0 HZ1 LYS A 81 10.577 11.714 10.086 1.00 1.97 H new ATOM 0 HZ2 LYS A 81 11.446 12.934 10.887 1.00 1.97 H new ATOM 0 HZ3 LYS A 81 11.124 13.073 9.226 1.00 1.97 H new ATOM 1300 N LYS A 82 16.415 16.625 9.888 1.00 0.25 N ATOM 1301 CA LYS A 82 17.350 16.747 11.058 1.00 0.39 C ATOM 1302 C LYS A 82 17.575 18.199 11.466 1.00 0.43 C ATOM 1303 O LYS A 82 17.534 18.537 12.629 1.00 0.48 O ATOM 1304 CB LYS A 82 18.644 16.006 10.708 1.00 0.58 C ATOM 1305 CG LYS A 82 18.264 14.492 10.717 1.00 1.29 C ATOM 1306 CD LYS A 82 19.492 13.540 10.651 1.00 1.24 C ATOM 1307 CE LYS A 82 20.172 13.516 9.284 1.00 0.73 C ATOM 1308 NZ LYS A 82 19.140 13.180 8.260 1.00 1.54 N ATOM 0 H LYS A 82 16.836 16.787 8.973 1.00 0.25 H new ATOM 0 HA LYS A 82 16.908 16.285 11.941 1.00 0.39 H new ATOM 0 HB2 LYS A 82 19.021 16.312 9.732 1.00 0.58 H new ATOM 0 HB3 LYS A 82 19.429 16.219 11.434 1.00 0.58 H new ATOM 0 HG2 LYS A 82 17.695 14.275 11.621 1.00 1.29 H new ATOM 0 HG3 LYS A 82 17.609 14.286 9.870 1.00 1.29 H new ATOM 0 HD2 LYS A 82 20.219 13.845 11.404 1.00 1.24 H new ATOM 0 HD3 LYS A 82 19.173 12.530 10.907 1.00 1.24 H new ATOM 0 HE2 LYS A 82 20.624 14.484 9.066 1.00 0.73 H new ATOM 0 HE3 LYS A 82 20.975 12.779 9.271 1.00 0.73 H new ATOM 0 HZ1 LYS A 82 19.607 12.942 7.362 1.00 1.54 H new ATOM 0 HZ2 LYS A 82 18.580 12.367 8.586 1.00 1.54 H new ATOM 0 HZ3 LYS A 82 18.513 13.997 8.118 1.00 1.54 H new ATOM 1322 N LYS A 83 17.827 19.011 10.487 1.00 0.42 N ATOM 1323 CA LYS A 83 18.065 20.468 10.675 1.00 0.48 C ATOM 1324 C LYS A 83 16.851 21.192 11.261 1.00 0.46 C ATOM 1325 O LYS A 83 16.938 22.027 12.137 1.00 0.48 O ATOM 1326 CB LYS A 83 18.347 21.043 9.289 1.00 0.50 C ATOM 1327 CG LYS A 83 18.921 22.462 9.451 1.00 0.68 C ATOM 1328 CD LYS A 83 19.334 22.991 8.064 1.00 0.72 C ATOM 1329 CE LYS A 83 19.850 24.421 8.206 1.00 1.34 C ATOM 1330 NZ LYS A 83 20.023 24.990 6.839 1.00 1.37 N ATOM 0 H LYS A 83 17.881 18.710 9.514 1.00 0.42 H new ATOM 0 HA LYS A 83 18.890 20.607 11.374 1.00 0.48 H new ATOM 0 HB2 LYS A 83 19.053 20.409 8.753 1.00 0.50 H new ATOM 0 HB3 LYS A 83 17.432 21.071 8.698 1.00 0.50 H new ATOM 0 HG2 LYS A 83 18.178 23.121 9.900 1.00 0.68 H new ATOM 0 HG3 LYS A 83 19.781 22.447 10.121 1.00 0.68 H new ATOM 0 HD2 LYS A 83 20.107 22.354 7.634 1.00 0.72 H new ATOM 0 HD3 LYS A 83 18.483 22.964 7.383 1.00 0.72 H new ATOM 0 HE2 LYS A 83 19.148 25.023 8.783 1.00 1.34 H new ATOM 0 HE3 LYS A 83 20.797 24.432 8.745 1.00 1.34 H new ATOM 0 HZ1 LYS A 83 20.976 25.396 6.750 1.00 1.37 H new ATOM 0 HZ2 LYS A 83 19.900 24.238 6.132 1.00 1.37 H new ATOM 0 HZ3 LYS A 83 19.314 25.734 6.680 1.00 1.37 H new ATOM 1344 N TYR A 84 15.749 20.823 10.695 1.00 0.42 N ATOM 1345 CA TYR A 84 14.428 21.380 11.095 1.00 0.41 C ATOM 1346 C TYR A 84 13.668 20.441 12.026 1.00 0.43 C ATOM 1347 O TYR A 84 13.283 20.925 13.077 1.00 0.42 O ATOM 1348 CB TYR A 84 13.718 21.742 9.780 1.00 0.42 C ATOM 1349 CG TYR A 84 14.658 22.734 9.076 1.00 0.44 C ATOM 1350 CD1 TYR A 84 15.124 23.834 9.781 1.00 1.52 C ATOM 1351 CD2 TYR A 84 15.081 22.555 7.769 1.00 0.87 C ATOM 1352 CE1 TYR A 84 15.983 24.738 9.230 1.00 1.58 C ATOM 1353 CE2 TYR A 84 15.951 23.473 7.233 1.00 0.79 C ATOM 1354 CZ TYR A 84 16.412 24.575 7.953 1.00 0.53 C ATOM 1355 OH TYR A 84 17.273 25.510 7.413 1.00 0.59 O ATOM 0 H TYR A 84 15.702 20.134 9.944 1.00 0.42 H new ATOM 0 HA TYR A 84 14.514 22.278 11.706 1.00 0.41 H new ATOM 0 HB2 TYR A 84 13.549 20.857 9.167 1.00 0.42 H new ATOM 0 HB3 TYR A 84 12.743 22.190 9.969 1.00 0.42 H new ATOM 0 HD1 TYR A 84 14.796 23.979 10.800 1.00 1.52 H new ATOM 0 HD2 TYR A 84 14.735 21.714 7.186 1.00 0.87 H new ATOM 0 HE1 TYR A 84 16.322 25.584 9.810 1.00 1.58 H new ATOM 0 HE2 TYR A 84 16.290 23.336 6.217 1.00 0.79 H new ATOM 0 HH TYR A 84 17.443 25.294 6.472 1.00 0.59 H new ATOM 1365 N GLY A 85 13.463 19.197 11.650 1.00 0.50 N ATOM 1366 CA GLY A 85 12.725 18.264 12.576 1.00 0.60 C ATOM 1367 C GLY A 85 11.209 18.337 12.507 1.00 0.40 C ATOM 1368 O GLY A 85 10.627 19.386 12.381 1.00 0.42 O ATOM 0 H GLY A 85 13.765 18.792 10.764 1.00 0.50 H new ATOM 0 HA2 GLY A 85 13.032 17.242 12.354 1.00 0.60 H new ATOM 0 HA3 GLY A 85 13.035 18.475 13.599 1.00 0.60 H new ATOM 1372 N ILE A 86 10.550 17.228 12.591 1.00 0.71 N ATOM 1373 CA ILE A 86 9.092 17.160 12.542 1.00 1.16 C ATOM 1374 C ILE A 86 8.753 16.535 13.923 1.00 1.90 C ATOM 1375 O ILE A 86 9.561 15.754 14.405 1.00 2.56 O ATOM 1376 CB ILE A 86 8.764 16.399 11.263 1.00 2.11 C ATOM 1377 CG1 ILE A 86 7.587 15.587 11.572 1.00 1.70 C ATOM 1378 CG2 ILE A 86 9.923 15.494 10.719 1.00 3.30 C ATOM 1379 CD1 ILE A 86 6.754 15.511 10.318 1.00 2.70 C ATOM 1380 OXT ILE A 86 7.714 16.878 14.464 1.00 2.70 O ATOM 0 H ILE A 86 10.999 16.319 12.698 1.00 0.71 H new ATOM 0 HA ILE A 86 8.493 18.066 12.454 1.00 1.16 H new ATOM 0 HB ILE A 86 8.593 17.119 10.463 1.00 2.11 H new ATOM 0 HG12 ILE A 86 7.883 14.590 11.898 1.00 1.70 H new ATOM 0 HG13 ILE A 86 7.016 16.032 12.387 1.00 1.70 H new ATOM 0 HG21 ILE A 86 9.596 14.993 9.808 1.00 3.30 H new ATOM 0 HG22 ILE A 86 10.795 16.111 10.502 1.00 3.30 H new ATOM 0 HG23 ILE A 86 10.185 14.748 11.469 1.00 3.30 H new ATOM 0 HD11 ILE A 86 5.864 14.912 10.508 1.00 2.70 H new ATOM 0 HD12 ILE A 86 6.457 16.516 10.017 1.00 2.70 H new ATOM 0 HD13 ILE A 86 7.338 15.051 9.521 1.00 2.70 H new TER 1392 ILE A 86