USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=31 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 29 SER OG : rot -72:sc= 1.19! USER MOD Set 1.2: A 30 HIS : no HD1:sc= -3.19 K(o=-2,f=-5.3!) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.142 K(o=-0.7,f=-4!) USER MOD Set 2.2: A 70 MET CE :methyl 149:sc= -0.84 (180deg=-3.12!) USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.327 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0849 USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= -1.47 (180deg=-7.94!) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0255 (180deg=-0.405) USER MOD Single : A 14 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-9.4!) USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= -7.2! (180deg=-13!) USER MOD Single : A 17 THR OG1 : rot 112:sc= 0.778 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0754 (180deg=-0.956!) USER MOD Single : A 24 MET CE :methyl 139:sc= -0.0886 (180deg=-2.07!) USER MOD Single : A 28 TYR OH : rot -70:sc= 1.21! USER MOD Single : A 31 TYR OH : rot -27:sc= 0.681 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= -1.1! (180deg=-1.65!) USER MOD Single : A 33 GLN : amide:sc= -3.9! C(o=-3.9!,f=-13!) USER MOD Single : A 35 THR OG1 : rot -93:sc= -0.0518 USER MOD Single : A 40 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 46 MET CE :methyl 146:sc= -0.0725 (180deg=-0.417) USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= -2.27! (180deg=-8.06!) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= -2.13 (180deg=-2.87!) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.0555 (180deg=-1.25) USER MOD Single : A 59 ASN :FLIP amide:sc= -4.27! C(o=-6.8!,f=-4.3!) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0.982 (180deg=0.531) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -148:sc= 1.13 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 1.43 (180deg=-0.934) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= 0.297 (180deg=-0.344!) USER MOD Single : A 73 TYR OH : rot 78:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -148:sc= 1.22 (180deg=-0.025) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= -3.33! (180deg=-3.65!) USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= -1.63! (180deg=-4.72!) USER MOD Single : A 84 TYR OH : rot 165:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.549 1.626 -7.845 1.00 2.51 N ATOM 2 CA SER A 1 4.689 1.718 -6.868 1.00 1.59 C ATOM 3 C SER A 1 4.910 3.209 -6.574 1.00 1.24 C ATOM 4 O SER A 1 4.192 3.993 -7.159 1.00 1.82 O ATOM 5 CB SER A 1 5.991 1.121 -7.443 1.00 2.52 C ATOM 6 OG SER A 1 6.879 1.294 -6.344 1.00 2.38 O ATOM 0 H1 SER A 1 2.776 1.070 -7.426 1.00 2.51 H new ATOM 0 H2 SER A 1 3.206 2.582 -8.069 1.00 2.51 H new ATOM 0 H3 SER A 1 3.875 1.162 -8.717 1.00 2.51 H new ATOM 0 HA SER A 1 4.441 1.153 -5.970 1.00 1.59 H new ATOM 0 HB2 SER A 1 5.877 0.073 -7.720 1.00 2.52 H new ATOM 0 HB3 SER A 1 6.329 1.651 -8.334 1.00 2.52 H new ATOM 0 HG SER A 1 7.764 0.946 -6.581 1.00 2.38 H new ATOM 14 N GLN A 2 5.850 3.535 -5.724 1.00 1.21 N ATOM 15 CA GLN A 2 6.184 4.955 -5.335 1.00 0.76 C ATOM 16 C GLN A 2 7.284 4.907 -4.231 1.00 0.89 C ATOM 17 O GLN A 2 7.472 3.866 -3.639 1.00 1.27 O ATOM 18 CB GLN A 2 4.901 5.591 -4.720 1.00 0.74 C ATOM 19 CG GLN A 2 5.061 7.138 -4.567 1.00 0.21 C ATOM 20 CD GLN A 2 4.951 7.871 -5.911 1.00 1.01 C ATOM 21 OE1 GLN A 2 5.264 7.387 -6.981 1.00 1.79 O ATOM 22 NE2 GLN A 2 4.508 9.084 -5.900 1.00 0.91 N ATOM 0 H GLN A 2 6.434 2.842 -5.256 1.00 1.21 H new ATOM 0 HA GLN A 2 6.529 5.528 -6.195 1.00 0.76 H new ATOM 0 HB2 GLN A 2 4.042 5.372 -5.354 1.00 0.74 H new ATOM 0 HB3 GLN A 2 4.700 5.144 -3.746 1.00 0.74 H new ATOM 0 HG2 GLN A 2 4.297 7.514 -3.887 1.00 0.21 H new ATOM 0 HG3 GLN A 2 6.028 7.358 -4.114 1.00 0.21 H new ATOM 0 HE21 GLN A 2 4.237 9.520 -5.019 1.00 0.91 H new ATOM 0 HE22 GLN A 2 4.429 9.606 -6.773 1.00 0.91 H new ATOM 31 N ALA A 3 7.981 5.983 -3.969 1.00 0.76 N ATOM 32 CA ALA A 3 9.046 5.935 -2.893 1.00 1.01 C ATOM 33 C ALA A 3 8.474 6.529 -1.577 1.00 0.79 C ATOM 34 O ALA A 3 7.275 6.535 -1.394 1.00 0.79 O ATOM 35 CB ALA A 3 10.246 6.730 -3.424 1.00 1.24 C ATOM 0 H ALA A 3 7.871 6.882 -4.438 1.00 0.76 H new ATOM 0 HA ALA A 3 9.362 4.917 -2.665 1.00 1.01 H new ATOM 0 HB1 ALA A 3 11.044 6.725 -2.681 1.00 1.24 H new ATOM 0 HB2 ALA A 3 10.606 6.273 -4.346 1.00 1.24 H new ATOM 0 HB3 ALA A 3 9.942 7.758 -3.623 1.00 1.24 H new ATOM 41 N GLU A 4 9.273 7.028 -0.671 1.00 0.62 N ATOM 42 CA GLU A 4 8.703 7.603 0.595 1.00 0.43 C ATOM 43 C GLU A 4 8.657 9.109 0.373 1.00 0.35 C ATOM 44 O GLU A 4 8.448 9.907 1.253 1.00 0.38 O ATOM 45 CB GLU A 4 9.554 7.276 1.832 1.00 0.36 C ATOM 46 CG GLU A 4 11.033 7.713 1.688 1.00 0.55 C ATOM 47 CD GLU A 4 11.928 6.617 1.095 1.00 1.16 C ATOM 48 OE1 GLU A 4 11.521 6.022 0.112 1.00 2.05 O ATOM 49 OE2 GLU A 4 12.983 6.443 1.678 1.00 1.70 O ATOM 0 H GLU A 4 10.290 7.065 -0.747 1.00 0.62 H new ATOM 0 HA GLU A 4 7.721 7.175 0.794 1.00 0.43 H new ATOM 0 HB2 GLU A 4 9.120 7.766 2.703 1.00 0.36 H new ATOM 0 HB3 GLU A 4 9.515 6.203 2.018 1.00 0.36 H new ATOM 0 HG2 GLU A 4 11.084 8.598 1.054 1.00 0.55 H new ATOM 0 HG3 GLU A 4 11.418 7.999 2.667 1.00 0.55 H new ATOM 56 N PHE A 5 8.872 9.445 -0.857 1.00 0.32 N ATOM 57 CA PHE A 5 8.877 10.826 -1.354 1.00 0.29 C ATOM 58 C PHE A 5 7.676 11.611 -0.808 1.00 0.30 C ATOM 59 O PHE A 5 7.850 12.644 -0.220 1.00 0.30 O ATOM 60 CB PHE A 5 8.766 10.588 -2.827 1.00 0.27 C ATOM 61 CG PHE A 5 8.467 11.870 -3.571 1.00 0.24 C ATOM 62 CD1 PHE A 5 9.456 12.758 -3.889 1.00 1.07 C ATOM 63 CD2 PHE A 5 7.174 12.139 -3.917 1.00 0.75 C ATOM 64 CE1 PHE A 5 9.173 13.926 -4.555 1.00 1.04 C ATOM 65 CE2 PHE A 5 6.856 13.280 -4.577 1.00 0.81 C ATOM 66 CZ PHE A 5 7.851 14.173 -4.899 1.00 0.18 C ATOM 0 H PHE A 5 9.058 8.758 -1.587 1.00 0.32 H new ATOM 0 HA PHE A 5 9.743 11.419 -1.062 1.00 0.29 H new ATOM 0 HB2 PHE A 5 9.696 10.158 -3.199 1.00 0.27 H new ATOM 0 HB3 PHE A 5 7.978 9.860 -3.021 1.00 0.27 H new ATOM 0 HD1 PHE A 5 10.477 12.538 -3.612 1.00 1.07 H new ATOM 0 HD2 PHE A 5 6.396 11.435 -3.662 1.00 0.75 H new ATOM 0 HE1 PHE A 5 9.954 14.629 -4.803 1.00 1.04 H new ATOM 0 HE2 PHE A 5 5.831 13.486 -4.847 1.00 0.81 H new ATOM 0 HZ PHE A 5 7.600 15.081 -5.428 1.00 0.18 H new ATOM 76 N ASP A 6 6.490 11.115 -1.011 1.00 0.33 N ATOM 77 CA ASP A 6 5.302 11.829 -0.500 1.00 0.38 C ATOM 78 C ASP A 6 5.358 11.918 1.033 1.00 0.41 C ATOM 79 O ASP A 6 4.764 12.763 1.673 1.00 0.49 O ATOM 80 CB ASP A 6 4.137 11.190 -1.156 1.00 0.46 C ATOM 81 CG ASP A 6 4.058 11.658 -2.612 1.00 0.58 C ATOM 82 OD1 ASP A 6 3.885 12.868 -2.752 1.00 0.86 O ATOM 83 OD2 ASP A 6 4.182 10.796 -3.473 1.00 1.92 O ATOM 0 H ASP A 6 6.297 10.246 -1.509 1.00 0.33 H new ATOM 0 HA ASP A 6 5.235 12.886 -0.758 1.00 0.38 H new ATOM 0 HB2 ASP A 6 4.232 10.105 -1.115 1.00 0.46 H new ATOM 0 HB3 ASP A 6 3.220 11.450 -0.628 1.00 0.46 H new ATOM 88 N LYS A 7 6.127 11.015 1.570 1.00 0.46 N ATOM 89 CA LYS A 7 6.270 11.004 3.036 1.00 0.46 C ATOM 90 C LYS A 7 7.201 12.194 3.330 1.00 0.35 C ATOM 91 O LYS A 7 6.956 13.022 4.186 1.00 0.31 O ATOM 92 CB LYS A 7 6.893 9.685 3.539 1.00 0.53 C ATOM 93 CG LYS A 7 6.409 9.323 4.965 1.00 0.52 C ATOM 94 CD LYS A 7 6.206 10.593 5.810 1.00 1.07 C ATOM 95 CE LYS A 7 5.872 10.281 7.233 1.00 1.23 C ATOM 96 NZ LYS A 7 5.606 11.602 7.845 1.00 2.21 N ATOM 0 H LYS A 7 6.650 10.301 1.064 1.00 0.46 H new ATOM 0 HA LYS A 7 5.307 11.082 3.541 1.00 0.46 H new ATOM 0 HB2 LYS A 7 6.636 8.878 2.853 1.00 0.53 H new ATOM 0 HB3 LYS A 7 7.979 9.773 3.536 1.00 0.53 H new ATOM 0 HG2 LYS A 7 5.474 8.766 4.906 1.00 0.52 H new ATOM 0 HG3 LYS A 7 7.138 8.672 5.447 1.00 0.52 H new ATOM 0 HD2 LYS A 7 7.112 11.198 5.776 1.00 1.07 H new ATOM 0 HD3 LYS A 7 5.406 11.192 5.375 1.00 1.07 H new ATOM 0 HE2 LYS A 7 5.002 9.628 7.303 1.00 1.23 H new ATOM 0 HE3 LYS A 7 6.695 9.770 7.732 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 6.363 11.830 8.520 1.00 2.21 H new ATOM 0 HZ2 LYS A 7 5.574 12.329 7.102 1.00 2.21 H new ATOM 0 HZ3 LYS A 7 4.694 11.576 8.343 1.00 2.21 H new ATOM 110 N ALA A 8 8.263 12.229 2.569 1.00 0.33 N ATOM 111 CA ALA A 8 9.272 13.313 2.710 1.00 0.25 C ATOM 112 C ALA A 8 8.440 14.589 2.628 1.00 0.17 C ATOM 113 O ALA A 8 8.446 15.394 3.533 1.00 0.17 O ATOM 114 CB ALA A 8 10.302 13.124 1.605 1.00 0.23 C ATOM 0 H ALA A 8 8.474 11.541 1.846 1.00 0.33 H new ATOM 0 HA ALA A 8 9.850 13.330 3.634 1.00 0.25 H new ATOM 0 HB1 ALA A 8 11.060 13.904 1.677 1.00 0.23 H new ATOM 0 HB2 ALA A 8 10.774 12.147 1.711 1.00 0.23 H new ATOM 0 HB3 ALA A 8 9.810 13.185 0.634 1.00 0.23 H new ATOM 120 N ALA A 9 7.746 14.690 1.543 1.00 0.21 N ATOM 121 CA ALA A 9 6.856 15.845 1.268 1.00 0.28 C ATOM 122 C ALA A 9 5.989 16.122 2.507 1.00 0.39 C ATOM 123 O ALA A 9 5.972 17.236 2.982 1.00 0.38 O ATOM 124 CB ALA A 9 5.949 15.466 0.083 1.00 0.35 C ATOM 0 H ALA A 9 7.758 13.990 0.801 1.00 0.21 H new ATOM 0 HA ALA A 9 7.439 16.736 1.034 1.00 0.28 H new ATOM 0 HB1 ALA A 9 5.281 16.297 -0.144 1.00 0.35 H new ATOM 0 HB2 ALA A 9 6.564 15.245 -0.790 1.00 0.35 H new ATOM 0 HB3 ALA A 9 5.359 14.587 0.343 1.00 0.35 H new ATOM 130 N GLU A 10 5.324 15.094 2.974 1.00 0.49 N ATOM 131 CA GLU A 10 4.423 15.169 4.165 1.00 0.59 C ATOM 132 C GLU A 10 5.093 15.869 5.350 1.00 0.37 C ATOM 133 O GLU A 10 4.498 16.701 6.012 1.00 0.46 O ATOM 134 CB GLU A 10 4.082 13.713 4.597 1.00 0.83 C ATOM 135 CG GLU A 10 2.904 13.682 5.611 1.00 1.13 C ATOM 136 CD GLU A 10 2.915 12.376 6.410 1.00 1.83 C ATOM 137 OE1 GLU A 10 2.719 11.346 5.797 1.00 1.90 O ATOM 138 OE2 GLU A 10 3.129 12.488 7.605 1.00 2.72 O ATOM 0 H GLU A 10 5.373 14.164 2.557 1.00 0.49 H new ATOM 0 HA GLU A 10 3.536 15.740 3.889 1.00 0.59 H new ATOM 0 HB2 GLU A 10 3.823 13.123 3.718 1.00 0.83 H new ATOM 0 HB3 GLU A 10 4.961 13.249 5.044 1.00 0.83 H new ATOM 0 HG2 GLU A 10 2.980 14.531 6.290 1.00 1.13 H new ATOM 0 HG3 GLU A 10 1.957 13.782 5.080 1.00 1.13 H new ATOM 145 N GLU A 11 6.324 15.502 5.557 1.00 0.20 N ATOM 146 CA GLU A 11 7.152 16.049 6.660 1.00 0.19 C ATOM 147 C GLU A 11 7.722 17.440 6.393 1.00 0.23 C ATOM 148 O GLU A 11 7.602 18.382 7.161 1.00 0.34 O ATOM 149 CB GLU A 11 8.239 15.015 6.869 1.00 0.32 C ATOM 150 CG GLU A 11 7.632 13.615 7.277 1.00 0.18 C ATOM 151 CD GLU A 11 8.646 12.529 7.677 1.00 0.23 C ATOM 152 OE1 GLU A 11 9.739 12.540 7.142 1.00 1.04 O ATOM 153 OE2 GLU A 11 8.233 11.727 8.506 1.00 0.90 O ATOM 0 H GLU A 11 6.809 14.815 4.980 1.00 0.20 H new ATOM 0 HA GLU A 11 6.544 16.209 7.550 1.00 0.19 H new ATOM 0 HB2 GLU A 11 8.822 14.908 5.954 1.00 0.32 H new ATOM 0 HB3 GLU A 11 8.924 15.357 7.645 1.00 0.32 H new ATOM 0 HG2 GLU A 11 6.946 13.768 8.110 1.00 0.18 H new ATOM 0 HG3 GLU A 11 7.040 13.241 6.442 1.00 0.18 H new ATOM 160 N VAL A 12 8.331 17.522 5.262 1.00 0.22 N ATOM 161 CA VAL A 12 8.957 18.752 4.805 1.00 0.42 C ATOM 162 C VAL A 12 7.946 19.909 4.741 1.00 0.63 C ATOM 163 O VAL A 12 8.204 20.969 5.269 1.00 0.76 O ATOM 164 CB VAL A 12 9.634 18.369 3.490 1.00 0.33 C ATOM 165 CG1 VAL A 12 8.880 18.812 2.277 1.00 0.46 C ATOM 166 CG2 VAL A 12 11.074 18.801 3.493 1.00 0.36 C ATOM 0 H VAL A 12 8.419 16.742 4.610 1.00 0.22 H new ATOM 0 HA VAL A 12 9.706 19.152 5.488 1.00 0.42 H new ATOM 0 HB VAL A 12 9.620 17.281 3.423 1.00 0.33 H new ATOM 0 HG11 VAL A 12 9.420 18.506 1.381 1.00 0.46 H new ATOM 0 HG12 VAL A 12 7.890 18.356 2.278 1.00 0.46 H new ATOM 0 HG13 VAL A 12 8.780 19.897 2.287 1.00 0.46 H new ATOM 0 HG21 VAL A 12 11.540 18.520 2.549 1.00 0.36 H new ATOM 0 HG22 VAL A 12 11.129 19.882 3.617 1.00 0.36 H new ATOM 0 HG23 VAL A 12 11.598 18.314 4.315 1.00 0.36 H new ATOM 176 N LYS A 13 6.812 19.709 4.115 1.00 0.66 N ATOM 177 CA LYS A 13 5.788 20.805 4.024 1.00 0.82 C ATOM 178 C LYS A 13 5.274 21.350 5.385 1.00 0.92 C ATOM 179 O LYS A 13 4.367 22.155 5.424 1.00 1.13 O ATOM 180 CB LYS A 13 4.578 20.355 3.116 1.00 0.89 C ATOM 181 CG LYS A 13 3.727 19.164 3.685 1.00 1.80 C ATOM 182 CD LYS A 13 3.007 19.509 5.017 1.00 3.00 C ATOM 183 CE LYS A 13 2.070 18.386 5.426 1.00 4.24 C ATOM 184 NZ LYS A 13 0.898 18.418 4.497 1.00 4.19 N ATOM 0 H LYS A 13 6.548 18.834 3.662 1.00 0.66 H new ATOM 0 HA LYS A 13 6.314 21.644 3.567 1.00 0.82 H new ATOM 0 HB2 LYS A 13 3.920 21.211 2.963 1.00 0.89 H new ATOM 0 HB3 LYS A 13 4.964 20.071 2.137 1.00 0.89 H new ATOM 0 HG2 LYS A 13 2.984 18.870 2.944 1.00 1.80 H new ATOM 0 HG3 LYS A 13 4.378 18.304 3.843 1.00 1.80 H new ATOM 0 HD2 LYS A 13 3.744 19.678 5.802 1.00 3.00 H new ATOM 0 HD3 LYS A 13 2.444 20.436 4.903 1.00 3.00 H new ATOM 0 HE2 LYS A 13 2.578 17.423 5.370 1.00 4.24 H new ATOM 0 HE3 LYS A 13 1.745 18.515 6.458 1.00 4.24 H new ATOM 0 HZ1 LYS A 13 0.093 17.929 4.937 1.00 4.19 H new ATOM 0 HZ2 LYS A 13 0.638 19.406 4.300 1.00 4.19 H new ATOM 0 HZ3 LYS A 13 1.148 17.942 3.607 1.00 4.19 H new ATOM 198 N HIS A 14 5.864 20.885 6.453 1.00 0.87 N ATOM 199 CA HIS A 14 5.507 21.290 7.847 1.00 1.02 C ATOM 200 C HIS A 14 6.645 21.653 8.784 1.00 0.97 C ATOM 201 O HIS A 14 6.511 22.582 9.558 1.00 1.22 O ATOM 202 CB HIS A 14 4.745 20.080 8.523 1.00 1.14 C ATOM 203 CG HIS A 14 5.529 19.496 9.701 1.00 1.40 C ATOM 204 ND1 HIS A 14 6.419 18.582 9.554 1.00 2.30 N ATOM 205 CD2 HIS A 14 5.528 19.770 11.051 1.00 2.41 C ATOM 206 CE1 HIS A 14 6.948 18.297 10.703 1.00 3.86 C ATOM 207 NE2 HIS A 14 6.420 19.016 11.661 1.00 3.97 N ATOM 0 H HIS A 14 6.621 20.203 6.412 1.00 0.87 H new ATOM 0 HA HIS A 14 4.926 22.203 7.719 1.00 1.02 H new ATOM 0 HB2 HIS A 14 3.767 20.415 8.869 1.00 1.14 H new ATOM 0 HB3 HIS A 14 4.571 19.301 7.781 1.00 1.14 H new ATOM 0 HD1 HIS A 14 6.672 18.146 8.667 1.00 2.30 H new ATOM 0 HD2 HIS A 14 4.891 20.495 11.537 1.00 2.41 H new ATOM 0 HE1 HIS A 14 7.724 17.561 10.851 1.00 3.86 H new ATOM 215 N LEU A 15 7.712 20.901 8.673 1.00 0.69 N ATOM 216 CA LEU A 15 8.899 21.086 9.525 1.00 0.61 C ATOM 217 C LEU A 15 9.010 22.300 10.352 1.00 0.74 C ATOM 218 O LEU A 15 9.564 23.307 9.983 1.00 0.97 O ATOM 219 CB LEU A 15 10.112 21.031 8.733 1.00 0.40 C ATOM 220 CG LEU A 15 10.080 19.808 7.928 1.00 0.48 C ATOM 221 CD1 LEU A 15 11.351 19.813 7.308 1.00 0.32 C ATOM 222 CD2 LEU A 15 9.957 18.574 8.774 1.00 0.85 C ATOM 0 H LEU A 15 7.799 20.142 7.998 1.00 0.69 H new ATOM 0 HA LEU A 15 8.767 20.263 10.227 1.00 0.61 H new ATOM 0 HB2 LEU A 15 10.185 21.908 8.089 1.00 0.40 H new ATOM 0 HB3 LEU A 15 10.989 21.037 9.380 1.00 0.40 H new ATOM 0 HG LEU A 15 9.231 19.791 7.245 1.00 0.48 H new ATOM 0 HD11 LEU A 15 11.448 18.934 6.671 1.00 0.32 H new ATOM 0 HD12 LEU A 15 11.457 20.714 6.703 1.00 0.32 H new ATOM 0 HD13 LEU A 15 12.128 19.795 8.072 1.00 0.32 H new ATOM 0 HD21 LEU A 15 9.937 17.693 8.132 1.00 0.85 H new ATOM 0 HD22 LEU A 15 10.809 18.511 9.451 1.00 0.85 H new ATOM 0 HD23 LEU A 15 9.035 18.621 9.354 1.00 0.85 H new ATOM 234 N LYS A 16 8.427 22.062 11.473 1.00 1.22 N ATOM 235 CA LYS A 16 8.330 23.050 12.617 1.00 1.39 C ATOM 236 C LYS A 16 9.289 24.275 12.637 1.00 0.91 C ATOM 237 O LYS A 16 8.969 25.330 13.146 1.00 0.90 O ATOM 238 CB LYS A 16 8.708 22.225 13.884 1.00 1.60 C ATOM 239 CG LYS A 16 8.854 23.141 15.177 1.00 1.90 C ATOM 240 CD LYS A 16 9.484 22.421 16.414 1.00 1.49 C ATOM 241 CE LYS A 16 10.929 21.929 16.147 1.00 1.39 C ATOM 242 NZ LYS A 16 10.856 20.796 15.185 1.00 1.32 N ATOM 0 H LYS A 16 7.977 21.170 11.677 1.00 1.22 H new ATOM 0 HA LYS A 16 7.330 23.477 12.541 1.00 1.39 H new ATOM 0 HB2 LYS A 16 7.946 21.467 14.062 1.00 1.60 H new ATOM 0 HB3 LYS A 16 9.646 21.699 13.706 1.00 1.60 H new ATOM 0 HG2 LYS A 16 9.466 24.007 14.926 1.00 1.90 H new ATOM 0 HG3 LYS A 16 7.869 23.517 15.454 1.00 1.90 H new ATOM 0 HD2 LYS A 16 9.488 23.104 17.264 1.00 1.49 H new ATOM 0 HD3 LYS A 16 8.860 21.571 16.691 1.00 1.49 H new ATOM 0 HE2 LYS A 16 11.538 22.736 15.740 1.00 1.39 H new ATOM 0 HE3 LYS A 16 11.401 21.611 17.076 1.00 1.39 H new ATOM 0 HZ1 LYS A 16 11.085 19.908 15.676 1.00 1.32 H new ATOM 0 HZ2 LYS A 16 9.895 20.736 14.791 1.00 1.32 H new ATOM 0 HZ3 LYS A 16 11.537 20.950 14.414 1.00 1.32 H new ATOM 256 N THR A 17 10.441 24.091 12.077 1.00 0.56 N ATOM 257 CA THR A 17 11.508 25.156 12.027 1.00 0.24 C ATOM 258 C THR A 17 11.564 25.976 10.697 1.00 0.77 C ATOM 259 O THR A 17 10.694 25.847 9.863 1.00 1.29 O ATOM 260 CB THR A 17 12.784 24.326 12.294 1.00 0.67 C ATOM 261 OG1 THR A 17 12.545 23.619 13.515 1.00 1.09 O ATOM 262 CG2 THR A 17 14.029 25.117 12.663 1.00 1.19 C ATOM 0 H THR A 17 10.712 23.215 11.629 1.00 0.56 H new ATOM 0 HA THR A 17 11.336 25.957 12.746 1.00 0.24 H new ATOM 0 HB THR A 17 12.957 23.765 11.375 1.00 0.67 H new ATOM 0 HG1 THR A 17 12.474 22.659 13.329 1.00 1.09 H new ATOM 0 HG21 THR A 17 14.860 24.431 12.827 1.00 1.19 H new ATOM 0 HG22 THR A 17 14.278 25.802 11.853 1.00 1.19 H new ATOM 0 HG23 THR A 17 13.842 25.685 13.574 1.00 1.19 H new ATOM 270 N LYS A 18 12.544 26.832 10.504 1.00 1.20 N ATOM 271 CA LYS A 18 12.646 27.656 9.227 1.00 1.74 C ATOM 272 C LYS A 18 13.697 27.167 8.143 1.00 1.43 C ATOM 273 O LYS A 18 14.766 27.744 8.017 1.00 1.52 O ATOM 274 CB LYS A 18 12.884 29.143 9.675 1.00 2.48 C ATOM 275 CG LYS A 18 12.236 30.175 8.679 1.00 2.61 C ATOM 276 CD LYS A 18 12.735 30.020 7.216 1.00 3.11 C ATOM 277 CE LYS A 18 14.233 30.321 7.131 1.00 4.71 C ATOM 278 NZ LYS A 18 14.729 29.783 5.837 1.00 5.53 N ATOM 0 H LYS A 18 13.290 27.004 11.177 1.00 1.20 H new ATOM 0 HA LYS A 18 11.713 27.534 8.677 1.00 1.74 H new ATOM 0 HB2 LYS A 18 12.468 29.292 10.671 1.00 2.48 H new ATOM 0 HB3 LYS A 18 13.955 29.332 9.746 1.00 2.48 H new ATOM 0 HG2 LYS A 18 11.153 30.057 8.700 1.00 2.61 H new ATOM 0 HG3 LYS A 18 12.453 31.186 9.024 1.00 2.61 H new ATOM 0 HD2 LYS A 18 12.540 29.007 6.864 1.00 3.11 H new ATOM 0 HD3 LYS A 18 12.184 30.696 6.563 1.00 3.11 H new ATOM 0 HE2 LYS A 18 14.412 31.395 7.193 1.00 4.71 H new ATOM 0 HE3 LYS A 18 14.763 29.861 7.965 1.00 4.71 H new ATOM 0 HZ1 LYS A 18 15.767 29.724 5.861 1.00 5.53 H new ATOM 0 HZ2 LYS A 18 14.332 28.835 5.680 1.00 5.53 H new ATOM 0 HZ3 LYS A 18 14.435 30.413 5.064 1.00 5.53 H new ATOM 292 N PRO A 19 13.412 26.134 7.368 1.00 1.13 N ATOM 293 CA PRO A 19 14.378 25.629 6.327 1.00 0.82 C ATOM 294 C PRO A 19 15.013 26.681 5.403 1.00 0.93 C ATOM 295 O PRO A 19 14.359 27.625 4.995 1.00 1.09 O ATOM 296 CB PRO A 19 13.571 24.638 5.505 1.00 0.64 C ATOM 297 CG PRO A 19 12.502 24.116 6.503 1.00 0.83 C ATOM 298 CD PRO A 19 12.158 25.333 7.387 1.00 1.15 C ATOM 0 HA PRO A 19 15.243 25.211 6.841 1.00 0.82 H new ATOM 0 HB2 PRO A 19 13.111 25.116 4.640 1.00 0.64 H new ATOM 0 HB3 PRO A 19 14.196 23.828 5.128 1.00 0.64 H new ATOM 0 HG2 PRO A 19 11.620 23.746 5.980 1.00 0.83 H new ATOM 0 HG3 PRO A 19 12.889 23.290 7.100 1.00 0.83 H new ATOM 0 HD2 PRO A 19 11.315 25.896 6.986 1.00 1.15 H new ATOM 0 HD3 PRO A 19 11.888 25.032 8.399 1.00 1.15 H new ATOM 306 N ALA A 20 16.266 26.530 5.070 1.00 0.93 N ATOM 307 CA ALA A 20 16.919 27.535 4.169 1.00 1.12 C ATOM 308 C ALA A 20 16.181 27.504 2.826 1.00 0.84 C ATOM 309 O ALA A 20 15.591 26.504 2.449 1.00 0.52 O ATOM 310 CB ALA A 20 18.393 27.158 3.968 1.00 1.27 C ATOM 0 H ALA A 20 16.865 25.763 5.377 1.00 0.93 H new ATOM 0 HA ALA A 20 16.873 28.534 4.603 1.00 1.12 H new ATOM 0 HB1 ALA A 20 18.869 27.888 3.313 1.00 1.27 H new ATOM 0 HB2 ALA A 20 18.901 27.150 4.932 1.00 1.27 H new ATOM 0 HB3 ALA A 20 18.457 26.168 3.516 1.00 1.27 H new ATOM 316 N ASP A 21 16.228 28.603 2.123 1.00 0.98 N ATOM 317 CA ASP A 21 15.541 28.686 0.801 1.00 0.72 C ATOM 318 C ASP A 21 15.971 27.473 -0.004 1.00 0.53 C ATOM 319 O ASP A 21 15.142 26.676 -0.375 1.00 0.36 O ATOM 320 CB ASP A 21 15.932 30.009 0.141 1.00 0.89 C ATOM 321 CG ASP A 21 15.923 31.049 1.217 1.00 2.00 C ATOM 322 OD1 ASP A 21 14.872 31.607 1.442 1.00 1.69 O ATOM 323 OD2 ASP A 21 16.989 31.249 1.764 1.00 3.50 O ATOM 0 H ASP A 21 16.715 29.452 2.409 1.00 0.98 H new ATOM 0 HA ASP A 21 14.454 28.675 0.884 1.00 0.72 H new ATOM 0 HB2 ASP A 21 16.918 29.936 -0.317 1.00 0.89 H new ATOM 0 HB3 ASP A 21 15.230 30.267 -0.652 1.00 0.89 H new ATOM 328 N GLU A 22 17.251 27.377 -0.238 1.00 0.63 N ATOM 329 CA GLU A 22 17.811 26.222 -1.011 1.00 0.61 C ATOM 330 C GLU A 22 17.190 24.882 -0.462 1.00 0.45 C ATOM 331 O GLU A 22 16.632 24.124 -1.236 1.00 0.43 O ATOM 332 CB GLU A 22 19.361 26.299 -0.855 1.00 0.75 C ATOM 333 CG GLU A 22 19.960 27.418 -1.787 1.00 0.90 C ATOM 334 CD GLU A 22 21.459 27.648 -1.506 1.00 1.56 C ATOM 335 OE1 GLU A 22 22.242 26.946 -2.125 1.00 2.51 O ATOM 336 OE2 GLU A 22 21.715 28.513 -0.682 1.00 1.62 O ATOM 0 H GLU A 22 17.944 28.056 0.076 1.00 0.63 H new ATOM 0 HA GLU A 22 17.563 26.255 -2.072 1.00 0.61 H new ATOM 0 HB2 GLU A 22 19.617 26.509 0.184 1.00 0.75 H new ATOM 0 HB3 GLU A 22 19.805 25.335 -1.104 1.00 0.75 H new ATOM 0 HG2 GLU A 22 19.824 27.134 -2.831 1.00 0.90 H new ATOM 0 HG3 GLU A 22 19.414 28.349 -1.636 1.00 0.90 H new ATOM 343 N GLU A 23 17.264 24.593 0.817 1.00 0.49 N ATOM 344 CA GLU A 23 16.669 23.325 1.346 1.00 0.37 C ATOM 345 C GLU A 23 15.211 23.208 0.774 1.00 0.24 C ATOM 346 O GLU A 23 14.857 22.207 0.170 1.00 0.26 O ATOM 347 CB GLU A 23 16.835 23.414 2.875 1.00 0.33 C ATOM 348 CG GLU A 23 18.359 23.150 3.285 1.00 0.54 C ATOM 349 CD GLU A 23 18.637 23.387 4.785 1.00 0.75 C ATOM 350 OE1 GLU A 23 18.081 24.363 5.262 1.00 1.28 O ATOM 351 OE2 GLU A 23 19.369 22.610 5.395 1.00 1.74 O ATOM 0 H GLU A 23 17.712 25.183 1.518 1.00 0.49 H new ATOM 0 HA GLU A 23 17.144 22.394 1.037 1.00 0.37 H new ATOM 0 HB2 GLU A 23 16.523 24.398 3.225 1.00 0.33 H new ATOM 0 HB3 GLU A 23 16.189 22.683 3.361 1.00 0.33 H new ATOM 0 HG2 GLU A 23 18.624 22.124 3.031 1.00 0.54 H new ATOM 0 HG3 GLU A 23 19.005 23.801 2.696 1.00 0.54 H new ATOM 358 N MET A 24 14.402 24.220 0.977 1.00 0.19 N ATOM 359 CA MET A 24 12.994 24.156 0.425 1.00 0.12 C ATOM 360 C MET A 24 13.023 24.004 -1.124 1.00 0.11 C ATOM 361 O MET A 24 12.326 23.189 -1.691 1.00 0.13 O ATOM 362 CB MET A 24 12.259 25.456 0.700 1.00 0.17 C ATOM 363 CG MET A 24 11.844 25.601 2.147 1.00 0.30 C ATOM 364 SD MET A 24 10.764 27.022 2.450 1.00 0.60 S ATOM 365 CE MET A 24 12.067 28.155 2.987 1.00 1.90 C ATOM 0 H MET A 24 14.639 25.071 1.487 1.00 0.19 H new ATOM 0 HA MET A 24 12.502 23.308 0.901 1.00 0.12 H new ATOM 0 HB2 MET A 24 12.898 26.295 0.425 1.00 0.17 H new ATOM 0 HB3 MET A 24 11.374 25.509 0.066 1.00 0.17 H new ATOM 0 HG2 MET A 24 11.332 24.692 2.463 1.00 0.30 H new ATOM 0 HG3 MET A 24 12.737 25.695 2.765 1.00 0.30 H new ATOM 0 HE1 MET A 24 11.888 29.143 2.563 1.00 1.90 H new ATOM 0 HE2 MET A 24 12.066 28.222 4.075 1.00 1.90 H new ATOM 0 HE3 MET A 24 13.034 27.784 2.648 1.00 1.90 H new ATOM 375 N LEU A 25 13.819 24.814 -1.765 1.00 0.07 N ATOM 376 CA LEU A 25 14.003 24.833 -3.236 1.00 0.05 C ATOM 377 C LEU A 25 14.167 23.435 -3.827 1.00 0.09 C ATOM 378 O LEU A 25 13.457 23.027 -4.724 1.00 0.12 O ATOM 379 CB LEU A 25 15.219 25.637 -3.420 1.00 0.15 C ATOM 380 CG LEU A 25 14.993 27.163 -3.329 1.00 0.23 C ATOM 381 CD1 LEU A 25 15.474 27.593 -4.622 1.00 0.38 C ATOM 382 CD2 LEU A 25 13.577 27.682 -3.158 1.00 0.27 C ATOM 0 H LEU A 25 14.388 25.512 -1.285 1.00 0.07 H new ATOM 0 HA LEU A 25 13.133 25.242 -3.751 1.00 0.05 H new ATOM 0 HB2 LEU A 25 15.951 25.345 -2.667 1.00 0.15 H new ATOM 0 HB3 LEU A 25 15.651 25.403 -4.393 1.00 0.15 H new ATOM 0 HG LEU A 25 15.479 27.536 -2.428 1.00 0.23 H new ATOM 0 HD11 LEU A 25 15.375 28.675 -4.706 1.00 0.38 H new ATOM 0 HD12 LEU A 25 16.522 27.315 -4.731 1.00 0.38 H new ATOM 0 HD13 LEU A 25 14.888 27.113 -5.406 1.00 0.38 H new ATOM 0 HD21 LEU A 25 13.592 28.771 -3.111 1.00 0.27 H new ATOM 0 HD22 LEU A 25 12.968 27.363 -4.004 1.00 0.27 H new ATOM 0 HD23 LEU A 25 13.153 27.285 -2.236 1.00 0.27 H new ATOM 394 N PHE A 26 15.138 22.780 -3.258 1.00 0.10 N ATOM 395 CA PHE A 26 15.524 21.388 -3.622 1.00 0.08 C ATOM 396 C PHE A 26 14.218 20.584 -3.652 1.00 0.07 C ATOM 397 O PHE A 26 13.726 20.180 -4.690 1.00 0.12 O ATOM 398 CB PHE A 26 16.460 20.912 -2.485 1.00 0.04 C ATOM 399 CG PHE A 26 16.862 19.488 -2.837 1.00 0.14 C ATOM 400 CD1 PHE A 26 17.867 19.197 -3.739 1.00 1.22 C ATOM 401 CD2 PHE A 26 16.141 18.482 -2.259 1.00 1.44 C ATOM 402 CE1 PHE A 26 18.140 17.879 -4.065 1.00 1.17 C ATOM 403 CE2 PHE A 26 16.401 17.172 -2.578 1.00 1.52 C ATOM 404 CZ PHE A 26 17.402 16.867 -3.481 1.00 0.37 C ATOM 0 H PHE A 26 15.711 23.177 -2.513 1.00 0.10 H new ATOM 0 HA PHE A 26 16.030 21.285 -4.582 1.00 0.08 H new ATOM 0 HB2 PHE A 26 17.336 21.556 -2.406 1.00 0.04 H new ATOM 0 HB3 PHE A 26 15.951 20.946 -1.522 1.00 0.04 H new ATOM 0 HD1 PHE A 26 18.438 19.995 -4.189 1.00 1.22 H new ATOM 0 HD2 PHE A 26 15.363 18.718 -1.548 1.00 1.44 H new ATOM 0 HE1 PHE A 26 18.924 17.644 -4.770 1.00 1.17 H new ATOM 0 HE2 PHE A 26 15.824 16.380 -2.124 1.00 1.52 H new ATOM 0 HZ PHE A 26 17.608 15.837 -3.730 1.00 0.37 H new ATOM 414 N ILE A 27 13.702 20.403 -2.470 1.00 0.12 N ATOM 415 CA ILE A 27 12.427 19.664 -2.240 1.00 0.10 C ATOM 416 C ILE A 27 11.407 20.074 -3.315 1.00 0.12 C ATOM 417 O ILE A 27 11.015 19.303 -4.159 1.00 0.13 O ATOM 418 CB ILE A 27 11.998 20.158 -0.819 1.00 0.07 C ATOM 419 CG1 ILE A 27 12.405 19.220 0.336 1.00 0.04 C ATOM 420 CG2 ILE A 27 10.467 20.343 -0.619 1.00 0.15 C ATOM 421 CD1 ILE A 27 13.809 18.651 0.244 1.00 0.08 C ATOM 0 H ILE A 27 14.132 20.754 -1.614 1.00 0.12 H new ATOM 0 HA ILE A 27 12.510 18.579 -2.295 1.00 0.10 H new ATOM 0 HB ILE A 27 12.526 21.111 -0.782 1.00 0.07 H new ATOM 0 HG12 ILE A 27 12.312 19.765 1.275 1.00 0.04 H new ATOM 0 HG13 ILE A 27 11.697 18.392 0.377 1.00 0.04 H new ATOM 0 HG21 ILE A 27 10.272 20.687 0.397 1.00 0.15 H new ATOM 0 HG22 ILE A 27 10.094 21.080 -1.330 1.00 0.15 H new ATOM 0 HG23 ILE A 27 9.961 19.392 -0.783 1.00 0.15 H new ATOM 0 HD11 ILE A 27 13.997 18.006 1.102 1.00 0.08 H new ATOM 0 HD12 ILE A 27 13.907 18.072 -0.674 1.00 0.08 H new ATOM 0 HD13 ILE A 27 14.532 19.466 0.238 1.00 0.08 H new ATOM 433 N TYR A 28 11.014 21.310 -3.260 1.00 0.12 N ATOM 434 CA TYR A 28 10.022 21.883 -4.215 1.00 0.15 C ATOM 435 C TYR A 28 10.247 21.565 -5.689 1.00 0.14 C ATOM 436 O TYR A 28 9.446 20.920 -6.331 1.00 0.16 O ATOM 437 CB TYR A 28 10.128 23.404 -4.050 1.00 0.15 C ATOM 438 CG TYR A 28 9.306 24.129 -5.128 1.00 0.11 C ATOM 439 CD1 TYR A 28 7.922 24.029 -5.107 1.00 1.40 C ATOM 440 CD2 TYR A 28 9.930 24.886 -6.114 1.00 1.24 C ATOM 441 CE1 TYR A 28 7.149 24.682 -6.054 1.00 1.36 C ATOM 442 CE2 TYR A 28 9.127 25.530 -7.051 1.00 1.25 C ATOM 443 CZ TYR A 28 7.751 25.436 -7.032 1.00 0.07 C ATOM 444 OH TYR A 28 6.978 26.088 -7.979 1.00 0.09 O ATOM 0 H TYR A 28 11.351 21.976 -2.565 1.00 0.12 H new ATOM 0 HA TYR A 28 9.053 21.445 -3.975 1.00 0.15 H new ATOM 0 HB2 TYR A 28 9.773 23.693 -3.061 1.00 0.15 H new ATOM 0 HB3 TYR A 28 11.172 23.710 -4.116 1.00 0.15 H new ATOM 0 HD1 TYR A 28 7.442 23.435 -4.344 1.00 1.40 H new ATOM 0 HD2 TYR A 28 11.006 24.972 -6.151 1.00 1.24 H new ATOM 0 HE1 TYR A 28 6.073 24.598 -6.023 1.00 1.36 H new ATOM 0 HE2 TYR A 28 9.598 26.124 -7.820 1.00 1.25 H new ATOM 0 HH TYR A 28 6.575 25.429 -8.582 1.00 0.09 H new ATOM 454 N SER A 29 11.361 22.054 -6.141 1.00 0.14 N ATOM 455 CA SER A 29 11.805 21.907 -7.534 1.00 0.17 C ATOM 456 C SER A 29 11.617 20.463 -8.007 1.00 0.20 C ATOM 457 O SER A 29 10.905 20.146 -8.950 1.00 0.22 O ATOM 458 CB SER A 29 13.268 22.377 -7.580 1.00 0.21 C ATOM 459 OG SER A 29 14.039 21.381 -6.934 1.00 0.27 O ATOM 0 H SER A 29 12.014 22.579 -5.559 1.00 0.14 H new ATOM 0 HA SER A 29 11.212 22.512 -8.220 1.00 0.17 H new ATOM 0 HB2 SER A 29 13.598 22.513 -8.610 1.00 0.21 H new ATOM 0 HB3 SER A 29 13.381 23.338 -7.079 1.00 0.21 H new ATOM 0 HG SER A 29 13.876 21.416 -5.968 1.00 0.27 H new ATOM 465 N HIS A 30 12.286 19.607 -7.287 1.00 0.20 N ATOM 466 CA HIS A 30 12.244 18.170 -7.564 1.00 0.21 C ATOM 467 C HIS A 30 10.830 17.629 -7.387 1.00 0.18 C ATOM 468 O HIS A 30 10.324 16.993 -8.282 1.00 0.22 O ATOM 469 CB HIS A 30 13.209 17.558 -6.558 1.00 0.20 C ATOM 470 CG HIS A 30 14.622 18.085 -6.762 1.00 0.44 C ATOM 471 ND1 HIS A 30 15.165 18.369 -7.891 1.00 0.73 N ATOM 472 CD2 HIS A 30 15.602 18.369 -5.847 1.00 1.54 C ATOM 473 CE1 HIS A 30 16.375 18.794 -7.710 1.00 0.71 C ATOM 474 NE2 HIS A 30 16.691 18.810 -6.444 1.00 1.54 N ATOM 0 H HIS A 30 12.875 19.866 -6.496 1.00 0.20 H new ATOM 0 HA HIS A 30 12.525 17.932 -8.590 1.00 0.21 H new ATOM 0 HB2 HIS A 30 12.876 17.785 -5.545 1.00 0.20 H new ATOM 0 HB3 HIS A 30 13.204 16.473 -6.659 1.00 0.20 H new ATOM 0 HD2 HIS A 30 15.496 18.248 -4.779 1.00 1.54 H new ATOM 0 HE1 HIS A 30 17.039 19.097 -8.506 1.00 0.71 H new ATOM 0 HE2 HIS A 30 17.572 19.096 -6.017 1.00 1.54 H new ATOM 482 N TYR A 31 10.212 17.887 -6.261 1.00 0.15 N ATOM 483 CA TYR A 31 8.821 17.380 -6.013 1.00 0.19 C ATOM 484 C TYR A 31 7.985 17.656 -7.219 1.00 0.21 C ATOM 485 O TYR A 31 7.524 16.774 -7.911 1.00 0.21 O ATOM 486 CB TYR A 31 8.084 18.123 -4.850 1.00 0.27 C ATOM 487 CG TYR A 31 6.720 17.459 -4.516 1.00 0.31 C ATOM 488 CD1 TYR A 31 6.656 16.406 -3.611 1.00 1.02 C ATOM 489 CD2 TYR A 31 5.538 17.897 -5.109 1.00 0.74 C ATOM 490 CE1 TYR A 31 5.457 15.806 -3.305 1.00 1.06 C ATOM 491 CE2 TYR A 31 4.328 17.280 -4.781 1.00 0.71 C ATOM 492 CZ TYR A 31 4.290 16.230 -3.875 1.00 0.40 C ATOM 493 OH TYR A 31 3.122 15.583 -3.525 1.00 0.46 O ATOM 0 H TYR A 31 10.612 18.431 -5.496 1.00 0.15 H new ATOM 0 HA TYR A 31 8.932 16.323 -5.770 1.00 0.19 H new ATOM 0 HB2 TYR A 31 8.715 18.124 -3.961 1.00 0.27 H new ATOM 0 HB3 TYR A 31 7.923 19.165 -5.128 1.00 0.27 H new ATOM 0 HD1 TYR A 31 7.562 16.053 -3.141 1.00 1.02 H new ATOM 0 HD2 TYR A 31 5.557 18.710 -5.819 1.00 0.74 H new ATOM 0 HE1 TYR A 31 5.438 14.986 -2.602 1.00 1.06 H new ATOM 0 HE2 TYR A 31 3.412 17.624 -5.238 1.00 0.71 H new ATOM 0 HH TYR A 31 3.326 14.663 -3.257 1.00 0.46 H new ATOM 503 N LYS A 32 7.833 18.930 -7.425 1.00 0.23 N ATOM 504 CA LYS A 32 7.035 19.419 -8.555 1.00 0.27 C ATOM 505 C LYS A 32 7.390 18.593 -9.818 1.00 0.29 C ATOM 506 O LYS A 32 6.482 18.133 -10.479 1.00 0.32 O ATOM 507 CB LYS A 32 7.269 20.894 -8.519 1.00 0.28 C ATOM 508 CG LYS A 32 6.757 21.576 -7.192 1.00 0.27 C ATOM 509 CD LYS A 32 5.243 21.391 -6.909 1.00 0.33 C ATOM 510 CE LYS A 32 4.469 22.112 -7.940 1.00 0.49 C ATOM 511 NZ LYS A 32 2.993 21.871 -7.719 1.00 0.88 N ATOM 0 H LYS A 32 8.240 19.660 -6.841 1.00 0.23 H new ATOM 0 HA LYS A 32 5.954 19.278 -8.531 1.00 0.27 H new ATOM 0 HB2 LYS A 32 8.336 21.088 -8.631 1.00 0.28 H new ATOM 0 HB3 LYS A 32 6.770 21.355 -9.372 1.00 0.28 H new ATOM 0 HG2 LYS A 32 7.322 21.173 -6.351 1.00 0.27 H new ATOM 0 HG3 LYS A 32 6.976 22.643 -7.240 1.00 0.27 H new ATOM 0 HD2 LYS A 32 4.985 20.332 -6.917 1.00 0.33 H new ATOM 0 HD3 LYS A 32 4.996 21.772 -5.918 1.00 0.33 H new ATOM 0 HE2 LYS A 32 4.686 23.179 -7.893 1.00 0.49 H new ATOM 0 HE3 LYS A 32 4.760 21.771 -8.934 1.00 0.49 H new ATOM 0 HZ1 LYS A 32 2.485 21.976 -8.621 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 2.850 20.909 -7.350 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 2.627 22.562 -7.034 1.00 0.88 H new ATOM 525 N GLN A 33 8.652 18.420 -10.137 1.00 0.29 N ATOM 526 CA GLN A 33 8.979 17.592 -11.363 1.00 0.34 C ATOM 527 C GLN A 33 8.460 16.150 -11.230 1.00 0.31 C ATOM 528 O GLN A 33 7.812 15.601 -12.095 1.00 0.33 O ATOM 529 CB GLN A 33 10.490 17.360 -11.430 1.00 0.41 C ATOM 530 CG GLN A 33 11.205 18.562 -11.891 1.00 0.27 C ATOM 531 CD GLN A 33 10.994 18.756 -13.377 1.00 0.61 C ATOM 532 OE1 GLN A 33 11.686 18.208 -14.213 1.00 0.39 O ATOM 533 NE2 GLN A 33 10.034 19.520 -13.759 1.00 1.37 N ATOM 0 H GLN A 33 9.451 18.798 -9.627 1.00 0.29 H new ATOM 0 HA GLN A 33 8.548 18.130 -12.208 1.00 0.34 H new ATOM 0 HB2 GLN A 33 10.858 17.073 -10.445 1.00 0.41 H new ATOM 0 HB3 GLN A 33 10.701 16.530 -12.104 1.00 0.41 H new ATOM 0 HG2 GLN A 33 10.848 19.437 -11.348 1.00 0.27 H new ATOM 0 HG3 GLN A 33 12.269 18.466 -11.677 1.00 0.27 H new ATOM 0 HE21 GLN A 33 9.446 19.985 -13.067 1.00 1.37 H new ATOM 0 HE22 GLN A 33 9.860 19.661 -14.754 1.00 1.37 H new ATOM 542 N ALA A 34 8.802 15.583 -10.113 1.00 0.26 N ATOM 543 CA ALA A 34 8.422 14.191 -9.759 1.00 0.22 C ATOM 544 C ALA A 34 6.918 13.857 -9.734 1.00 0.25 C ATOM 545 O ALA A 34 6.539 12.726 -9.993 1.00 0.35 O ATOM 546 CB ALA A 34 8.909 14.020 -8.319 1.00 0.15 C ATOM 0 H ALA A 34 9.357 16.051 -9.396 1.00 0.26 H new ATOM 0 HA ALA A 34 8.850 13.544 -10.524 1.00 0.22 H new ATOM 0 HB1 ALA A 34 8.670 13.015 -7.971 1.00 0.15 H new ATOM 0 HB2 ALA A 34 9.988 14.171 -8.279 1.00 0.15 H new ATOM 0 HB3 ALA A 34 8.417 14.752 -7.679 1.00 0.15 H new ATOM 552 N THR A 35 6.179 14.879 -9.405 1.00 0.25 N ATOM 553 CA THR A 35 4.677 14.829 -9.281 1.00 0.28 C ATOM 554 C THR A 35 3.783 15.530 -10.296 1.00 0.40 C ATOM 555 O THR A 35 2.881 14.925 -10.830 1.00 0.52 O ATOM 556 CB THR A 35 4.354 15.505 -7.960 1.00 0.35 C ATOM 557 OG1 THR A 35 4.929 16.794 -8.093 1.00 0.34 O ATOM 558 CG2 THR A 35 5.187 14.908 -6.855 1.00 0.37 C ATOM 0 H THR A 35 6.569 15.800 -9.205 1.00 0.25 H new ATOM 0 HA THR A 35 4.455 13.771 -9.418 1.00 0.28 H new ATOM 0 HB THR A 35 3.286 15.443 -7.750 1.00 0.35 H new ATOM 0 HG1 THR A 35 5.837 16.787 -7.724 1.00 0.34 H new ATOM 0 HG21 THR A 35 4.947 15.400 -5.912 1.00 0.37 H new ATOM 0 HG22 THR A 35 4.973 13.842 -6.773 1.00 0.37 H new ATOM 0 HG23 THR A 35 6.244 15.049 -7.079 1.00 0.37 H new ATOM 566 N VAL A 36 4.076 16.771 -10.515 1.00 0.39 N ATOM 567 CA VAL A 36 3.310 17.645 -11.478 1.00 0.55 C ATOM 568 C VAL A 36 3.839 17.519 -12.897 1.00 0.65 C ATOM 569 O VAL A 36 3.111 17.317 -13.849 1.00 0.83 O ATOM 570 CB VAL A 36 3.636 19.119 -11.083 1.00 0.51 C ATOM 571 CG1 VAL A 36 2.886 20.166 -11.938 1.00 0.72 C ATOM 572 CG2 VAL A 36 3.332 19.335 -9.647 1.00 0.46 C ATOM 0 H VAL A 36 4.848 17.251 -10.052 1.00 0.39 H new ATOM 0 HA VAL A 36 2.257 17.366 -11.436 1.00 0.55 H new ATOM 0 HB VAL A 36 4.699 19.263 -11.274 1.00 0.51 H new ATOM 0 HG11 VAL A 36 3.160 21.168 -11.609 1.00 0.72 H new ATOM 0 HG12 VAL A 36 3.157 20.041 -12.986 1.00 0.72 H new ATOM 0 HG13 VAL A 36 1.811 20.027 -11.823 1.00 0.72 H new ATOM 0 HG21 VAL A 36 3.562 20.366 -9.378 1.00 0.46 H new ATOM 0 HG22 VAL A 36 2.275 19.139 -9.465 1.00 0.46 H new ATOM 0 HG23 VAL A 36 3.935 18.659 -9.042 1.00 0.46 H new ATOM 582 N GLY A 37 5.135 17.670 -12.912 1.00 0.59 N ATOM 583 CA GLY A 37 5.992 17.617 -14.134 1.00 0.70 C ATOM 584 C GLY A 37 6.719 18.961 -14.334 1.00 0.74 C ATOM 585 O GLY A 37 7.408 19.481 -13.462 1.00 0.46 O ATOM 0 H GLY A 37 5.671 17.841 -12.061 1.00 0.59 H new ATOM 0 HA2 GLY A 37 6.721 16.812 -14.041 1.00 0.70 H new ATOM 0 HA3 GLY A 37 5.379 17.393 -15.007 1.00 0.70 H new ATOM 589 N ASP A 38 6.531 19.491 -15.509 1.00 1.16 N ATOM 590 CA ASP A 38 7.163 20.765 -15.849 1.00 1.27 C ATOM 591 C ASP A 38 6.536 21.918 -15.039 1.00 1.29 C ATOM 592 O ASP A 38 5.399 21.918 -14.600 1.00 1.72 O ATOM 593 CB ASP A 38 6.896 20.977 -17.355 1.00 1.73 C ATOM 594 CG ASP A 38 6.973 19.714 -18.181 1.00 2.48 C ATOM 595 OD1 ASP A 38 5.943 19.074 -18.225 1.00 3.74 O ATOM 596 OD2 ASP A 38 8.042 19.471 -18.708 1.00 2.08 O ATOM 0 H ASP A 38 5.958 19.081 -16.247 1.00 1.16 H new ATOM 0 HA ASP A 38 8.229 20.751 -15.620 1.00 1.27 H new ATOM 0 HB2 ASP A 38 5.907 21.419 -17.479 1.00 1.73 H new ATOM 0 HB3 ASP A 38 7.617 21.696 -17.743 1.00 1.73 H new ATOM 601 N ILE A 39 7.388 22.885 -14.899 1.00 1.05 N ATOM 602 CA ILE A 39 7.042 24.127 -14.157 1.00 0.95 C ATOM 603 C ILE A 39 5.941 25.002 -14.780 1.00 1.19 C ATOM 604 O ILE A 39 6.172 25.732 -15.718 1.00 1.21 O ATOM 605 CB ILE A 39 8.321 24.833 -13.859 1.00 0.75 C ATOM 606 CG1 ILE A 39 7.898 25.939 -12.860 1.00 0.64 C ATOM 607 CG2 ILE A 39 9.125 25.233 -15.171 1.00 0.71 C ATOM 608 CD1 ILE A 39 9.107 26.428 -12.184 1.00 0.47 C ATOM 0 H ILE A 39 8.335 22.869 -15.277 1.00 1.05 H new ATOM 0 HA ILE A 39 6.546 23.853 -13.226 1.00 0.95 H new ATOM 0 HB ILE A 39 9.094 24.225 -13.389 1.00 0.75 H new ATOM 0 HG12 ILE A 39 7.398 26.754 -13.383 1.00 0.64 H new ATOM 0 HG13 ILE A 39 7.188 25.544 -12.133 1.00 0.64 H new ATOM 0 HG21 ILE A 39 10.047 25.744 -14.892 1.00 0.71 H new ATOM 0 HG22 ILE A 39 9.366 24.334 -15.738 1.00 0.71 H new ATOM 0 HG23 ILE A 39 8.514 25.896 -15.784 1.00 0.71 H new ATOM 0 HD11 ILE A 39 8.836 27.209 -11.474 1.00 0.47 H new ATOM 0 HD12 ILE A 39 9.585 25.605 -11.653 1.00 0.47 H new ATOM 0 HD13 ILE A 39 9.798 26.833 -12.923 1.00 0.47 H new ATOM 620 N ASN A 40 4.754 24.899 -14.232 1.00 1.38 N ATOM 621 CA ASN A 40 3.563 25.691 -14.720 1.00 1.65 C ATOM 622 C ASN A 40 2.866 26.575 -13.649 1.00 1.72 C ATOM 623 O ASN A 40 1.662 26.730 -13.608 1.00 1.80 O ATOM 624 CB ASN A 40 2.569 24.704 -15.335 1.00 1.69 C ATOM 625 CG ASN A 40 2.369 23.538 -14.396 1.00 2.01 C ATOM 626 OD1 ASN A 40 2.114 23.644 -13.215 1.00 3.19 O ATOM 627 ND2 ASN A 40 2.486 22.355 -14.889 1.00 1.21 N ATOM 0 H ASN A 40 4.549 24.284 -13.445 1.00 1.38 H new ATOM 0 HA ASN A 40 3.934 26.410 -15.451 1.00 1.65 H new ATOM 0 HB2 ASN A 40 1.617 25.200 -15.523 1.00 1.69 H new ATOM 0 HB3 ASN A 40 2.940 24.350 -16.297 1.00 1.69 H new ATOM 0 HD21 ASN A 40 2.365 21.539 -14.290 1.00 1.21 H new ATOM 0 HD22 ASN A 40 2.700 22.234 -15.879 1.00 1.21 H new ATOM 634 N THR A 41 3.688 27.129 -12.808 1.00 1.74 N ATOM 635 CA THR A 41 3.202 28.045 -11.697 1.00 1.91 C ATOM 636 C THR A 41 3.413 29.398 -12.336 1.00 2.09 C ATOM 637 O THR A 41 2.541 30.236 -12.355 1.00 3.25 O ATOM 638 CB THR A 41 4.068 27.934 -10.431 1.00 1.73 C ATOM 639 OG1 THR A 41 5.423 27.986 -10.853 1.00 1.52 O ATOM 640 CG2 THR A 41 3.996 26.545 -9.924 1.00 1.49 C ATOM 0 H THR A 41 4.699 26.994 -12.829 1.00 1.74 H new ATOM 0 HA THR A 41 2.186 27.826 -11.368 1.00 1.91 H new ATOM 0 HB THR A 41 3.754 28.695 -9.717 1.00 1.73 H new ATOM 0 HG1 THR A 41 6.012 27.920 -10.072 1.00 1.52 H new ATOM 0 HG21 THR A 41 4.607 26.453 -9.026 1.00 1.49 H new ATOM 0 HG22 THR A 41 2.961 26.298 -9.686 1.00 1.49 H new ATOM 0 HG23 THR A 41 4.367 25.860 -10.686 1.00 1.49 H new ATOM 648 N GLU A 42 4.625 29.469 -12.802 1.00 0.96 N ATOM 649 CA GLU A 42 5.266 30.594 -13.526 1.00 0.81 C ATOM 650 C GLU A 42 6.225 31.501 -12.815 1.00 0.74 C ATOM 651 O GLU A 42 6.130 31.837 -11.648 1.00 0.84 O ATOM 652 CB GLU A 42 4.320 31.328 -14.385 1.00 0.70 C ATOM 653 CG GLU A 42 3.925 30.344 -15.544 1.00 1.82 C ATOM 654 CD GLU A 42 2.886 30.871 -16.537 1.00 2.40 C ATOM 655 OE1 GLU A 42 2.598 32.056 -16.508 1.00 1.95 O ATOM 656 OE2 GLU A 42 2.451 30.005 -17.284 1.00 3.53 O ATOM 0 H GLU A 42 5.270 28.687 -12.690 1.00 0.96 H new ATOM 0 HA GLU A 42 5.971 30.035 -14.141 1.00 0.81 H new ATOM 0 HB2 GLU A 42 3.440 31.637 -13.820 1.00 0.70 H new ATOM 0 HB3 GLU A 42 4.778 32.234 -14.783 1.00 0.70 H new ATOM 0 HG2 GLU A 42 4.827 30.081 -16.096 1.00 1.82 H new ATOM 0 HG3 GLU A 42 3.543 29.424 -15.101 1.00 1.82 H new ATOM 663 N ARG A 43 7.140 31.860 -13.655 1.00 0.62 N ATOM 664 CA ARG A 43 8.227 32.739 -13.228 1.00 0.57 C ATOM 665 C ARG A 43 7.903 34.186 -12.780 1.00 0.51 C ATOM 666 O ARG A 43 7.316 34.924 -13.544 1.00 0.75 O ATOM 667 CB ARG A 43 9.172 32.812 -14.416 1.00 0.68 C ATOM 668 CG ARG A 43 10.505 33.371 -13.901 1.00 0.71 C ATOM 669 CD ARG A 43 10.882 34.570 -14.800 1.00 1.93 C ATOM 670 NE ARG A 43 12.140 35.167 -14.237 1.00 2.22 N ATOM 671 CZ ARG A 43 12.172 36.319 -13.665 1.00 3.06 C ATOM 672 NH1 ARG A 43 11.214 36.681 -12.934 1.00 4.23 N ATOM 673 NH2 ARG A 43 13.165 37.090 -13.839 1.00 3.00 N ATOM 0 H ARG A 43 7.175 31.573 -14.633 1.00 0.62 H new ATOM 0 HA ARG A 43 8.614 32.294 -12.311 1.00 0.57 H new ATOM 0 HB2 ARG A 43 9.313 31.825 -14.857 1.00 0.68 H new ATOM 0 HB3 ARG A 43 8.761 33.453 -15.196 1.00 0.68 H new ATOM 0 HG2 ARG A 43 10.413 33.685 -12.861 1.00 0.71 H new ATOM 0 HG3 ARG A 43 11.281 32.606 -13.936 1.00 0.71 H new ATOM 0 HD2 ARG A 43 11.037 34.246 -15.829 1.00 1.93 H new ATOM 0 HD3 ARG A 43 10.079 35.307 -14.815 1.00 1.93 H new ATOM 0 HE ARG A 43 13.007 34.636 -14.311 1.00 2.22 H new ATOM 0 HH11 ARG A 43 10.415 36.062 -12.796 1.00 4.23 H new ATOM 0 HH12 ARG A 43 11.236 37.594 -12.479 1.00 4.23 H new ATOM 0 HH21 ARG A 43 13.940 36.797 -14.434 1.00 3.00 H new ATOM 0 HH22 ARG A 43 13.188 38.003 -13.384 1.00 3.00 H new ATOM 687 N PRO A 44 8.281 34.519 -11.553 1.00 0.39 N ATOM 688 CA PRO A 44 8.081 35.886 -10.951 1.00 0.48 C ATOM 689 C PRO A 44 8.339 37.141 -11.862 1.00 0.48 C ATOM 690 O PRO A 44 8.818 37.032 -12.973 1.00 0.65 O ATOM 691 CB PRO A 44 9.176 35.853 -9.862 1.00 0.74 C ATOM 692 CG PRO A 44 9.099 34.421 -9.322 1.00 0.75 C ATOM 693 CD PRO A 44 8.926 33.566 -10.578 1.00 0.51 C ATOM 0 HA PRO A 44 7.037 36.021 -10.667 1.00 0.48 H new ATOM 0 HB2 PRO A 44 10.160 36.074 -10.275 1.00 0.74 H new ATOM 0 HB3 PRO A 44 8.987 36.588 -9.080 1.00 0.74 H new ATOM 0 HG2 PRO A 44 10.002 34.151 -8.775 1.00 0.75 H new ATOM 0 HG3 PRO A 44 8.262 34.297 -8.635 1.00 0.75 H new ATOM 0 HD2 PRO A 44 9.882 33.196 -10.949 1.00 0.51 H new ATOM 0 HD3 PRO A 44 8.298 32.695 -10.390 1.00 0.51 H new ATOM 701 N GLY A 45 8.018 38.301 -11.342 1.00 0.77 N ATOM 702 CA GLY A 45 8.202 39.620 -12.082 1.00 0.80 C ATOM 703 C GLY A 45 8.796 40.784 -11.247 1.00 1.11 C ATOM 704 O GLY A 45 9.779 41.392 -11.623 1.00 1.53 O ATOM 0 H GLY A 45 7.623 38.405 -10.407 1.00 0.77 H new ATOM 0 HA2 GLY A 45 8.850 39.446 -12.941 1.00 0.80 H new ATOM 0 HA3 GLY A 45 7.234 39.934 -12.472 1.00 0.80 H new ATOM 708 N MET A 46 8.166 41.082 -10.135 1.00 1.21 N ATOM 709 CA MET A 46 8.654 42.191 -9.233 1.00 1.53 C ATOM 710 C MET A 46 9.484 41.591 -8.064 1.00 1.22 C ATOM 711 O MET A 46 10.651 41.886 -7.892 1.00 1.62 O ATOM 712 CB MET A 46 7.405 42.962 -8.710 1.00 1.93 C ATOM 713 CG MET A 46 7.833 44.296 -8.048 1.00 3.95 C ATOM 714 SD MET A 46 8.546 45.552 -9.142 1.00 4.86 S ATOM 715 CE MET A 46 10.293 45.348 -8.715 1.00 6.37 C ATOM 0 H MET A 46 7.327 40.604 -9.806 1.00 1.21 H new ATOM 0 HA MET A 46 9.304 42.879 -9.773 1.00 1.53 H new ATOM 0 HB2 MET A 46 6.721 43.161 -9.535 1.00 1.93 H new ATOM 0 HB3 MET A 46 6.866 42.347 -7.989 1.00 1.93 H new ATOM 0 HG2 MET A 46 6.961 44.728 -7.556 1.00 3.95 H new ATOM 0 HG3 MET A 46 8.560 44.071 -7.268 1.00 3.95 H new ATOM 0 HE1 MET A 46 10.907 45.527 -9.598 1.00 6.37 H new ATOM 0 HE2 MET A 46 10.562 46.060 -7.935 1.00 6.37 H new ATOM 0 HE3 MET A 46 10.463 44.333 -8.355 1.00 6.37 H new ATOM 725 N LEU A 47 8.873 40.746 -7.272 1.00 0.88 N ATOM 726 CA LEU A 47 9.593 40.108 -6.112 1.00 1.19 C ATOM 727 C LEU A 47 10.339 38.875 -6.647 1.00 1.21 C ATOM 728 O LEU A 47 10.143 37.744 -6.242 1.00 1.95 O ATOM 729 CB LEU A 47 8.542 39.703 -5.023 1.00 2.04 C ATOM 730 CG LEU A 47 8.059 40.894 -4.154 1.00 2.47 C ATOM 731 CD1 LEU A 47 9.231 41.424 -3.308 1.00 2.48 C ATOM 732 CD2 LEU A 47 7.530 42.048 -5.017 1.00 2.07 C ATOM 0 H LEU A 47 7.898 40.465 -7.375 1.00 0.88 H new ATOM 0 HA LEU A 47 10.307 40.794 -5.657 1.00 1.19 H new ATOM 0 HB2 LEU A 47 7.681 39.248 -5.512 1.00 2.04 H new ATOM 0 HB3 LEU A 47 8.978 38.943 -4.374 1.00 2.04 H new ATOM 0 HG LEU A 47 7.252 40.530 -3.519 1.00 2.47 H new ATOM 0 HD11 LEU A 47 8.890 42.261 -2.698 1.00 2.48 H new ATOM 0 HD12 LEU A 47 9.601 40.629 -2.660 1.00 2.48 H new ATOM 0 HD13 LEU A 47 10.033 41.758 -3.966 1.00 2.48 H new ATOM 0 HD21 LEU A 47 7.201 42.863 -4.372 1.00 2.07 H new ATOM 0 HD22 LEU A 47 8.323 42.403 -5.675 1.00 2.07 H new ATOM 0 HD23 LEU A 47 6.690 41.698 -5.617 1.00 2.07 H new ATOM 744 N ASP A 48 11.205 39.176 -7.572 1.00 1.60 N ATOM 745 CA ASP A 48 12.018 38.117 -8.215 1.00 2.57 C ATOM 746 C ASP A 48 13.023 37.382 -7.314 1.00 2.32 C ATOM 747 O ASP A 48 12.791 36.254 -6.931 1.00 1.94 O ATOM 748 CB ASP A 48 12.742 38.826 -9.401 1.00 3.59 C ATOM 749 CG ASP A 48 12.007 38.623 -10.718 1.00 3.88 C ATOM 750 OD1 ASP A 48 10.836 38.298 -10.719 1.00 3.12 O ATOM 751 OD2 ASP A 48 12.658 38.789 -11.731 1.00 5.08 O ATOM 0 H ASP A 48 11.384 40.121 -7.911 1.00 1.60 H new ATOM 0 HA ASP A 48 11.352 37.309 -8.519 1.00 2.57 H new ATOM 0 HB2 ASP A 48 12.823 39.893 -9.191 1.00 3.59 H new ATOM 0 HB3 ASP A 48 13.758 38.440 -9.489 1.00 3.59 H new ATOM 756 N PHE A 49 14.105 38.037 -7.004 1.00 2.79 N ATOM 757 CA PHE A 49 15.183 37.447 -6.139 1.00 2.70 C ATOM 758 C PHE A 49 14.850 36.159 -5.339 1.00 2.46 C ATOM 759 O PHE A 49 15.169 35.053 -5.743 1.00 2.43 O ATOM 760 CB PHE A 49 15.800 38.607 -5.275 1.00 2.86 C ATOM 761 CG PHE A 49 14.759 39.716 -5.007 1.00 2.07 C ATOM 762 CD1 PHE A 49 13.872 39.671 -3.949 1.00 1.24 C ATOM 763 CD2 PHE A 49 14.700 40.793 -5.872 1.00 2.44 C ATOM 764 CE1 PHE A 49 12.948 40.683 -3.770 1.00 0.66 C ATOM 765 CE2 PHE A 49 13.779 41.803 -5.694 1.00 1.87 C ATOM 766 CZ PHE A 49 12.899 41.751 -4.641 1.00 0.83 C ATOM 0 H PHE A 49 14.299 38.987 -7.321 1.00 2.79 H new ATOM 0 HA PHE A 49 15.929 37.031 -6.816 1.00 2.70 H new ATOM 0 HB2 PHE A 49 16.161 38.206 -4.328 1.00 2.86 H new ATOM 0 HB3 PHE A 49 16.662 39.030 -5.791 1.00 2.86 H new ATOM 0 HD1 PHE A 49 13.901 38.841 -3.258 1.00 1.24 H new ATOM 0 HD2 PHE A 49 15.388 40.844 -6.703 1.00 2.44 H new ATOM 0 HE1 PHE A 49 12.258 40.637 -2.940 1.00 0.66 H new ATOM 0 HE2 PHE A 49 13.749 42.635 -6.382 1.00 1.87 H new ATOM 0 HZ PHE A 49 12.175 42.539 -4.496 1.00 0.83 H new ATOM 776 N LYS A 50 14.186 36.315 -4.224 1.00 2.32 N ATOM 777 CA LYS A 50 13.840 35.109 -3.386 1.00 2.18 C ATOM 778 C LYS A 50 12.423 34.551 -3.601 1.00 1.69 C ATOM 779 O LYS A 50 11.852 33.923 -2.733 1.00 1.61 O ATOM 780 CB LYS A 50 14.046 35.491 -1.895 1.00 2.59 C ATOM 781 CG LYS A 50 15.527 35.861 -1.579 1.00 3.55 C ATOM 782 CD LYS A 50 16.542 34.716 -1.924 1.00 4.89 C ATOM 783 CE LYS A 50 16.245 33.373 -1.233 1.00 4.97 C ATOM 784 NZ LYS A 50 16.319 33.534 0.254 1.00 4.81 N ATOM 0 H LYS A 50 13.868 37.210 -3.853 1.00 2.32 H new ATOM 0 HA LYS A 50 14.502 34.302 -3.699 1.00 2.18 H new ATOM 0 HB2 LYS A 50 13.402 36.334 -1.646 1.00 2.59 H new ATOM 0 HB3 LYS A 50 13.739 34.658 -1.263 1.00 2.59 H new ATOM 0 HG2 LYS A 50 15.797 36.757 -2.138 1.00 3.55 H new ATOM 0 HG3 LYS A 50 15.614 36.107 -0.521 1.00 3.55 H new ATOM 0 HD2 LYS A 50 16.545 34.563 -3.003 1.00 4.89 H new ATOM 0 HD3 LYS A 50 17.545 35.040 -1.646 1.00 4.89 H new ATOM 0 HE2 LYS A 50 15.255 33.018 -1.520 1.00 4.97 H new ATOM 0 HE3 LYS A 50 16.961 32.620 -1.561 1.00 4.97 H new ATOM 0 HZ1 LYS A 50 17.129 32.995 0.622 1.00 4.81 H new ATOM 0 HZ2 LYS A 50 16.437 34.540 0.489 1.00 4.81 H new ATOM 0 HZ3 LYS A 50 15.442 33.178 0.686 1.00 4.81 H new ATOM 798 N GLY A 51 11.914 34.801 -4.770 1.00 1.50 N ATOM 799 CA GLY A 51 10.547 34.330 -5.177 1.00 1.34 C ATOM 800 C GLY A 51 11.006 33.293 -6.180 1.00 0.86 C ATOM 801 O GLY A 51 10.768 32.110 -6.042 1.00 0.62 O ATOM 0 H GLY A 51 12.401 35.331 -5.493 1.00 1.50 H new ATOM 0 HA2 GLY A 51 9.974 33.907 -4.352 1.00 1.34 H new ATOM 0 HA3 GLY A 51 9.935 35.116 -5.620 1.00 1.34 H new ATOM 805 N LYS A 52 11.671 33.818 -7.182 1.00 0.91 N ATOM 806 CA LYS A 52 12.250 33.042 -8.284 1.00 0.65 C ATOM 807 C LYS A 52 12.869 31.799 -7.772 1.00 0.41 C ATOM 808 O LYS A 52 12.452 30.771 -8.214 1.00 0.49 O ATOM 809 CB LYS A 52 13.306 33.932 -8.805 1.00 1.06 C ATOM 810 CG LYS A 52 12.595 34.858 -9.765 1.00 0.83 C ATOM 811 CD LYS A 52 13.615 35.839 -10.186 1.00 2.06 C ATOM 812 CE LYS A 52 14.869 35.213 -10.798 1.00 2.67 C ATOM 813 NZ LYS A 52 14.489 34.053 -11.659 1.00 3.97 N ATOM 0 H LYS A 52 11.836 34.821 -7.267 1.00 0.91 H new ATOM 0 HA LYS A 52 11.510 32.750 -9.029 1.00 0.65 H new ATOM 0 HB2 LYS A 52 13.786 34.489 -8.000 1.00 1.06 H new ATOM 0 HB3 LYS A 52 14.088 33.364 -9.309 1.00 1.06 H new ATOM 0 HG2 LYS A 52 12.199 34.310 -10.620 1.00 0.83 H new ATOM 0 HG3 LYS A 52 11.750 35.351 -9.284 1.00 0.83 H new ATOM 0 HD2 LYS A 52 13.171 36.520 -10.912 1.00 2.06 H new ATOM 0 HD3 LYS A 52 13.905 36.438 -9.323 1.00 2.06 H new ATOM 0 HE2 LYS A 52 15.405 35.955 -11.389 1.00 2.67 H new ATOM 0 HE3 LYS A 52 15.545 34.885 -10.008 1.00 2.67 H new ATOM 0 HZ1 LYS A 52 15.341 33.511 -11.907 1.00 3.97 H new ATOM 0 HZ2 LYS A 52 13.826 33.440 -11.143 1.00 3.97 H new ATOM 0 HZ3 LYS A 52 14.035 34.400 -12.528 1.00 3.97 H new ATOM 827 N ALA A 53 13.824 31.908 -6.887 1.00 0.66 N ATOM 828 CA ALA A 53 14.514 30.726 -6.293 1.00 0.48 C ATOM 829 C ALA A 53 13.703 29.431 -6.508 1.00 0.35 C ATOM 830 O ALA A 53 14.112 28.533 -7.209 1.00 0.38 O ATOM 831 CB ALA A 53 14.528 31.174 -4.885 1.00 0.22 C ATOM 0 H ALA A 53 14.166 32.804 -6.539 1.00 0.66 H new ATOM 0 HA ALA A 53 15.489 30.471 -6.707 1.00 0.48 H new ATOM 0 HB1 ALA A 53 15.010 30.417 -4.267 1.00 0.22 H new ATOM 0 HB2 ALA A 53 15.079 32.111 -4.807 1.00 0.22 H new ATOM 0 HB3 ALA A 53 13.505 31.325 -4.541 1.00 0.22 H new ATOM 837 N LYS A 54 12.553 29.393 -5.889 1.00 0.24 N ATOM 838 CA LYS A 54 11.644 28.198 -6.021 1.00 0.10 C ATOM 839 C LYS A 54 11.355 27.958 -7.511 1.00 0.11 C ATOM 840 O LYS A 54 11.608 26.898 -8.060 1.00 0.16 O ATOM 841 CB LYS A 54 10.264 28.559 -5.346 1.00 0.27 C ATOM 842 CG LYS A 54 10.184 28.281 -3.824 1.00 0.20 C ATOM 843 CD LYS A 54 9.639 26.846 -3.551 1.00 1.76 C ATOM 844 CE LYS A 54 8.901 26.779 -2.191 1.00 2.20 C ATOM 845 NZ LYS A 54 9.830 27.291 -1.136 1.00 2.02 N ATOM 0 H LYS A 54 12.195 30.139 -5.292 1.00 0.24 H new ATOM 0 HA LYS A 54 12.108 27.325 -5.562 1.00 0.10 H new ATOM 0 HB2 LYS A 54 10.059 29.616 -5.518 1.00 0.27 H new ATOM 0 HB3 LYS A 54 9.475 27.996 -5.844 1.00 0.27 H new ATOM 0 HG2 LYS A 54 11.172 28.391 -3.377 1.00 0.20 H new ATOM 0 HG3 LYS A 54 9.536 29.017 -3.349 1.00 0.20 H new ATOM 0 HD2 LYS A 54 8.960 26.553 -4.352 1.00 1.76 H new ATOM 0 HD3 LYS A 54 10.464 26.133 -3.556 1.00 1.76 H new ATOM 0 HE2 LYS A 54 7.991 27.378 -2.221 1.00 2.20 H new ATOM 0 HE3 LYS A 54 8.601 25.755 -1.970 1.00 2.20 H new ATOM 0 HZ1 LYS A 54 9.576 26.874 -0.218 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 10.807 27.029 -1.377 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 9.753 28.327 -1.079 1.00 2.02 H new ATOM 859 N TRP A 55 10.847 28.997 -8.121 1.00 0.19 N ATOM 860 CA TRP A 55 10.496 28.933 -9.544 1.00 0.28 C ATOM 861 C TRP A 55 11.633 28.373 -10.365 1.00 0.25 C ATOM 862 O TRP A 55 11.549 27.329 -10.973 1.00 0.32 O ATOM 863 CB TRP A 55 10.167 30.358 -10.086 1.00 0.31 C ATOM 864 CG TRP A 55 9.579 30.012 -11.433 1.00 0.37 C ATOM 865 CD1 TRP A 55 8.278 29.715 -11.582 1.00 0.45 C ATOM 866 CD2 TRP A 55 10.227 29.859 -12.613 1.00 0.35 C ATOM 867 NE1 TRP A 55 8.219 29.386 -12.839 1.00 0.46 N ATOM 868 CE2 TRP A 55 9.322 29.441 -13.538 1.00 0.41 C ATOM 869 CE3 TRP A 55 11.527 30.033 -13.017 1.00 0.31 C ATOM 870 CZ2 TRP A 55 9.649 29.192 -14.831 1.00 0.43 C ATOM 871 CZ3 TRP A 55 11.887 29.787 -14.320 1.00 0.33 C ATOM 872 CH2 TRP A 55 10.950 29.364 -15.247 1.00 0.39 C ATOM 0 H TRP A 55 10.663 29.895 -7.674 1.00 0.19 H new ATOM 0 HA TRP A 55 9.627 28.281 -9.632 1.00 0.28 H new ATOM 0 HB2 TRP A 55 9.460 30.890 -9.450 1.00 0.31 H new ATOM 0 HB3 TRP A 55 11.055 30.985 -10.170 1.00 0.31 H new ATOM 0 HD1 TRP A 55 7.486 29.742 -10.848 1.00 0.45 H new ATOM 0 HE1 TRP A 55 7.340 29.094 -13.266 1.00 0.46 H new ATOM 0 HE3 TRP A 55 12.271 30.365 -12.307 1.00 0.31 H new ATOM 0 HZ2 TRP A 55 8.894 28.861 -15.529 1.00 0.43 H new ATOM 0 HZ3 TRP A 55 12.914 29.925 -14.625 1.00 0.33 H new ATOM 0 HH2 TRP A 55 11.233 29.174 -16.272 1.00 0.39 H new ATOM 883 N ASP A 56 12.668 29.139 -10.319 1.00 0.21 N ATOM 884 CA ASP A 56 13.903 28.802 -11.054 1.00 0.27 C ATOM 885 C ASP A 56 14.358 27.382 -10.749 1.00 0.37 C ATOM 886 O ASP A 56 14.526 26.633 -11.686 1.00 0.53 O ATOM 887 CB ASP A 56 14.861 29.869 -10.708 1.00 0.17 C ATOM 888 CG ASP A 56 14.421 31.180 -11.323 1.00 0.54 C ATOM 889 OD1 ASP A 56 13.531 31.779 -10.764 1.00 1.76 O ATOM 890 OD2 ASP A 56 14.942 31.620 -12.333 1.00 0.50 O ATOM 0 H ASP A 56 12.713 30.009 -9.789 1.00 0.21 H new ATOM 0 HA ASP A 56 13.773 28.780 -12.136 1.00 0.27 H new ATOM 0 HB2 ASP A 56 14.929 29.971 -9.625 1.00 0.17 H new ATOM 0 HB3 ASP A 56 15.856 29.606 -11.066 1.00 0.17 H new ATOM 895 N ALA A 57 14.542 27.067 -9.490 1.00 0.32 N ATOM 896 CA ALA A 57 14.974 25.718 -9.077 1.00 0.41 C ATOM 897 C ALA A 57 14.072 24.654 -9.732 1.00 0.45 C ATOM 898 O ALA A 57 14.570 23.736 -10.348 1.00 0.61 O ATOM 899 CB ALA A 57 14.889 25.712 -7.557 1.00 0.33 C ATOM 0 H ALA A 57 14.403 27.717 -8.717 1.00 0.32 H new ATOM 0 HA ALA A 57 15.989 25.479 -9.396 1.00 0.41 H new ATOM 0 HB1 ALA A 57 15.197 24.737 -7.179 1.00 0.33 H new ATOM 0 HB2 ALA A 57 15.546 26.482 -7.153 1.00 0.33 H new ATOM 0 HB3 ALA A 57 13.863 25.913 -7.249 1.00 0.33 H new ATOM 905 N TRP A 58 12.771 24.778 -9.607 1.00 0.38 N ATOM 906 CA TRP A 58 11.902 23.749 -10.245 1.00 0.43 C ATOM 907 C TRP A 58 12.100 23.843 -11.740 1.00 0.54 C ATOM 908 O TRP A 58 12.394 22.859 -12.380 1.00 0.58 O ATOM 909 CB TRP A 58 10.443 23.979 -9.896 1.00 0.41 C ATOM 910 CG TRP A 58 9.531 22.987 -10.672 1.00 0.43 C ATOM 911 CD1 TRP A 58 9.842 21.906 -11.470 1.00 0.47 C ATOM 912 CD2 TRP A 58 8.207 23.118 -10.663 1.00 0.44 C ATOM 913 NE1 TRP A 58 8.634 21.509 -11.860 1.00 0.51 N ATOM 914 CE2 TRP A 58 7.600 22.178 -11.427 1.00 0.50 C ATOM 915 CE3 TRP A 58 7.482 24.038 -9.993 1.00 0.41 C ATOM 916 CZ2 TRP A 58 6.231 22.156 -11.543 1.00 0.54 C ATOM 917 CZ3 TRP A 58 6.125 24.034 -10.083 1.00 0.46 C ATOM 918 CH2 TRP A 58 5.492 23.099 -10.861 1.00 0.52 C ATOM 0 H TRP A 58 12.289 25.524 -9.106 1.00 0.38 H new ATOM 0 HA TRP A 58 12.173 22.758 -9.882 1.00 0.43 H new ATOM 0 HB2 TRP A 58 10.296 23.853 -8.823 1.00 0.41 H new ATOM 0 HB3 TRP A 58 10.163 25.004 -10.138 1.00 0.41 H new ATOM 0 HD1 TRP A 58 10.809 21.492 -11.713 1.00 0.47 H new ATOM 0 HE1 TRP A 58 8.519 20.706 -12.479 1.00 0.51 H new ATOM 0 HE3 TRP A 58 7.980 24.778 -9.385 1.00 0.41 H new ATOM 0 HZ2 TRP A 58 5.743 21.414 -12.157 1.00 0.54 H new ATOM 0 HZ3 TRP A 58 5.546 24.767 -9.542 1.00 0.46 H new ATOM 0 HH2 TRP A 58 4.415 23.101 -10.939 1.00 0.52 H new ATOM 929 N ASN A 59 11.948 25.001 -12.301 1.00 0.58 N ATOM 930 CA ASN A 59 12.124 25.161 -13.757 1.00 0.68 C ATOM 931 C ASN A 59 13.374 24.451 -14.272 1.00 0.75 C ATOM 932 O ASN A 59 13.274 23.680 -15.207 1.00 0.85 O ATOM 933 CB ASN A 59 12.114 26.663 -13.938 1.00 0.72 C ATOM 934 CG ASN A 59 12.992 27.112 -15.046 1.00 0.56 C ATOM 935 OD1 ASN A 59 13.957 27.851 -14.645 1.00 0.53 O flip ATOM 936 ND2 ASN A 59 12.839 26.827 -16.211 1.00 0.49 N flip ATOM 0 H ASN A 59 11.705 25.857 -11.802 1.00 0.58 H new ATOM 0 HA ASN A 59 11.344 24.689 -14.354 1.00 0.68 H new ATOM 0 HB2 ASN A 59 11.094 26.995 -14.131 1.00 0.72 H new ATOM 0 HB3 ASN A 59 12.434 27.139 -13.011 1.00 0.72 H new ATOM 0 HD21 ASN A 59 12.058 26.235 -16.493 1.00 0.49 H new ATOM 0 HD22 ASN A 59 13.491 27.178 -16.912 1.00 0.49 H new ATOM 943 N GLU A 60 14.472 24.731 -13.628 1.00 0.72 N ATOM 944 CA GLU A 60 15.807 24.160 -13.950 1.00 0.82 C ATOM 945 C GLU A 60 15.724 22.683 -14.294 1.00 0.81 C ATOM 946 O GLU A 60 16.496 22.142 -15.056 1.00 0.85 O ATOM 947 CB GLU A 60 16.696 24.428 -12.721 1.00 0.79 C ATOM 948 CG GLU A 60 18.180 24.095 -13.048 1.00 0.92 C ATOM 949 CD GLU A 60 19.122 24.830 -12.094 1.00 0.47 C ATOM 950 OE1 GLU A 60 19.301 26.019 -12.314 1.00 1.56 O ATOM 951 OE2 GLU A 60 19.605 24.162 -11.202 1.00 0.76 O ATOM 0 H GLU A 60 14.494 25.377 -12.839 1.00 0.72 H new ATOM 0 HA GLU A 60 16.230 24.628 -14.839 1.00 0.82 H new ATOM 0 HB2 GLU A 60 16.608 25.472 -12.420 1.00 0.79 H new ATOM 0 HB3 GLU A 60 16.357 23.824 -11.879 1.00 0.79 H new ATOM 0 HG2 GLU A 60 18.342 23.020 -12.971 1.00 0.92 H new ATOM 0 HG3 GLU A 60 18.403 24.378 -14.077 1.00 0.92 H new ATOM 958 N LEU A 61 14.748 22.076 -13.685 1.00 0.74 N ATOM 959 CA LEU A 61 14.460 20.641 -13.853 1.00 0.72 C ATOM 960 C LEU A 61 13.705 20.228 -15.105 1.00 0.70 C ATOM 961 O LEU A 61 14.002 19.175 -15.633 1.00 0.61 O ATOM 962 CB LEU A 61 13.637 20.266 -12.718 1.00 0.64 C ATOM 963 CG LEU A 61 14.301 20.707 -11.426 1.00 0.58 C ATOM 964 CD1 LEU A 61 13.512 20.127 -10.392 1.00 0.45 C ATOM 965 CD2 LEU A 61 15.710 20.209 -11.300 1.00 0.62 C ATOM 0 H LEU A 61 14.110 22.549 -13.046 1.00 0.74 H new ATOM 0 HA LEU A 61 15.428 20.146 -13.933 1.00 0.72 H new ATOM 0 HB2 LEU A 61 12.652 20.725 -12.805 1.00 0.64 H new ATOM 0 HB3 LEU A 61 13.486 19.187 -12.709 1.00 0.64 H new ATOM 0 HG LEU A 61 14.356 21.795 -11.383 1.00 0.58 H new ATOM 0 HD11 LEU A 61 13.927 20.399 -9.422 1.00 0.45 H new ATOM 0 HD12 LEU A 61 12.489 20.495 -10.465 1.00 0.45 H new ATOM 0 HD13 LEU A 61 13.516 19.042 -10.497 1.00 0.45 H new ATOM 0 HD21 LEU A 61 16.135 20.555 -10.358 1.00 0.62 H new ATOM 0 HD22 LEU A 61 15.714 19.119 -11.322 1.00 0.62 H new ATOM 0 HD23 LEU A 61 16.306 20.591 -12.129 1.00 0.62 H new ATOM 977 N LYS A 62 12.778 21.069 -15.490 1.00 0.76 N ATOM 978 CA LYS A 62 11.911 20.862 -16.681 1.00 0.73 C ATOM 979 C LYS A 62 12.500 19.849 -17.705 1.00 0.65 C ATOM 980 O LYS A 62 13.122 20.110 -18.721 1.00 0.64 O ATOM 981 CB LYS A 62 11.296 22.184 -17.125 1.00 0.88 C ATOM 982 CG LYS A 62 10.294 21.825 -18.227 1.00 0.90 C ATOM 983 CD LYS A 62 10.982 21.892 -19.629 1.00 1.09 C ATOM 984 CE LYS A 62 10.813 20.603 -20.468 1.00 2.21 C ATOM 985 NZ LYS A 62 9.356 20.320 -20.643 1.00 3.06 N ATOM 0 H LYS A 62 12.581 21.938 -14.994 1.00 0.76 H new ATOM 0 HA LYS A 62 11.014 20.290 -16.442 1.00 0.73 H new ATOM 0 HB2 LYS A 62 10.801 22.684 -16.293 1.00 0.88 H new ATOM 0 HB3 LYS A 62 12.060 22.866 -17.498 1.00 0.88 H new ATOM 0 HG2 LYS A 62 9.898 20.824 -18.056 1.00 0.90 H new ATOM 0 HG3 LYS A 62 9.448 22.512 -18.196 1.00 0.90 H new ATOM 0 HD2 LYS A 62 10.570 22.734 -20.186 1.00 1.09 H new ATOM 0 HD3 LYS A 62 12.045 22.089 -19.493 1.00 1.09 H new ATOM 0 HE2 LYS A 62 11.292 20.722 -21.440 1.00 2.21 H new ATOM 0 HE3 LYS A 62 11.302 19.765 -19.972 1.00 2.21 H new ATOM 0 HZ1 LYS A 62 9.228 19.607 -21.390 1.00 3.06 H new ATOM 0 HZ2 LYS A 62 8.963 19.960 -19.750 1.00 3.06 H new ATOM 0 HZ3 LYS A 62 8.862 21.195 -20.911 1.00 3.06 H new ATOM 999 N GLY A 63 12.185 18.661 -17.280 1.00 0.60 N ATOM 1000 CA GLY A 63 12.572 17.384 -17.956 1.00 0.53 C ATOM 1001 C GLY A 63 13.536 16.512 -17.098 1.00 0.38 C ATOM 1002 O GLY A 63 14.291 15.750 -17.676 1.00 0.32 O ATOM 0 H GLY A 63 11.637 18.512 -16.433 1.00 0.60 H new ATOM 0 HA2 GLY A 63 11.673 16.810 -18.179 1.00 0.53 H new ATOM 0 HA3 GLY A 63 13.049 17.613 -18.909 1.00 0.53 H new ATOM 1006 N THR A 64 13.525 16.601 -15.775 1.00 0.49 N ATOM 1007 CA THR A 64 14.454 15.743 -14.968 1.00 0.39 C ATOM 1008 C THR A 64 13.769 14.389 -14.746 1.00 0.19 C ATOM 1009 O THR A 64 12.560 14.285 -14.824 1.00 0.16 O ATOM 1010 CB THR A 64 14.557 16.437 -13.565 1.00 0.55 C ATOM 1011 OG1 THR A 64 15.900 16.871 -13.431 1.00 0.78 O ATOM 1012 CG2 THR A 64 14.365 15.470 -12.373 1.00 0.41 C ATOM 0 H THR A 64 12.922 17.221 -15.235 1.00 0.49 H new ATOM 0 HA THR A 64 15.422 15.616 -15.453 1.00 0.39 H new ATOM 0 HB THR A 64 13.789 17.209 -13.535 1.00 0.55 H new ATOM 0 HG1 THR A 64 16.015 17.316 -12.565 1.00 0.78 H new ATOM 0 HG21 THR A 64 14.450 16.024 -11.438 1.00 0.41 H new ATOM 0 HG22 THR A 64 13.379 15.009 -12.433 1.00 0.41 H new ATOM 0 HG23 THR A 64 15.130 14.695 -12.406 1.00 0.41 H new ATOM 1020 N SER A 65 14.500 13.346 -14.452 1.00 0.28 N ATOM 1021 CA SER A 65 13.783 12.043 -14.233 1.00 0.36 C ATOM 1022 C SER A 65 12.792 12.204 -13.063 1.00 0.38 C ATOM 1023 O SER A 65 13.126 12.579 -11.948 1.00 0.71 O ATOM 1024 CB SER A 65 14.766 10.877 -14.072 1.00 0.50 C ATOM 1025 OG SER A 65 14.174 9.958 -13.150 1.00 1.33 O ATOM 0 H SER A 65 15.515 13.329 -14.356 1.00 0.28 H new ATOM 0 HA SER A 65 13.199 11.784 -15.116 1.00 0.36 H new ATOM 0 HB2 SER A 65 14.953 10.395 -15.031 1.00 0.50 H new ATOM 0 HB3 SER A 65 15.728 11.231 -13.700 1.00 0.50 H new ATOM 0 HG SER A 65 14.879 9.508 -12.639 1.00 1.33 H new ATOM 1031 N LYS A 66 11.563 11.929 -13.423 1.00 0.08 N ATOM 1032 CA LYS A 66 10.420 12.007 -12.467 1.00 0.15 C ATOM 1033 C LYS A 66 10.791 11.342 -11.127 1.00 0.21 C ATOM 1034 O LYS A 66 10.404 11.766 -10.055 1.00 0.31 O ATOM 1035 CB LYS A 66 9.259 11.188 -13.084 1.00 0.13 C ATOM 1036 CG LYS A 66 7.944 11.639 -12.391 1.00 0.92 C ATOM 1037 CD LYS A 66 6.772 10.677 -12.671 1.00 1.25 C ATOM 1038 CE LYS A 66 6.812 9.450 -11.742 1.00 2.75 C ATOM 1039 NZ LYS A 66 6.629 9.918 -10.316 1.00 3.40 N ATOM 0 H LYS A 66 11.300 11.646 -14.367 1.00 0.08 H new ATOM 0 HA LYS A 66 10.155 13.050 -12.292 1.00 0.15 H new ATOM 0 HB2 LYS A 66 9.202 11.356 -14.159 1.00 0.13 H new ATOM 0 HB3 LYS A 66 9.423 10.121 -12.936 1.00 0.13 H new ATOM 0 HG2 LYS A 66 8.107 11.705 -11.315 1.00 0.92 H new ATOM 0 HG3 LYS A 66 7.680 12.639 -12.735 1.00 0.92 H new ATOM 0 HD2 LYS A 66 5.828 11.205 -12.537 1.00 1.25 H new ATOM 0 HD3 LYS A 66 6.810 10.349 -13.710 1.00 1.25 H new ATOM 0 HE2 LYS A 66 6.026 8.745 -12.013 1.00 2.75 H new ATOM 0 HE3 LYS A 66 7.761 8.925 -11.849 1.00 2.75 H new ATOM 0 HZ1 LYS A 66 7.476 9.680 -9.761 1.00 3.40 H new ATOM 0 HZ2 LYS A 66 6.486 10.948 -10.304 1.00 3.40 H new ATOM 0 HZ3 LYS A 66 5.799 9.449 -9.900 1.00 3.40 H new ATOM 1053 N GLU A 67 11.568 10.310 -11.303 1.00 0.19 N ATOM 1054 CA GLU A 67 12.087 9.447 -10.221 1.00 0.21 C ATOM 1055 C GLU A 67 13.296 10.123 -9.587 1.00 0.23 C ATOM 1056 O GLU A 67 13.386 10.204 -8.376 1.00 0.29 O ATOM 1057 CB GLU A 67 12.418 8.142 -10.969 1.00 0.19 C ATOM 1058 CG GLU A 67 11.076 7.391 -11.309 1.00 0.60 C ATOM 1059 CD GLU A 67 11.224 6.280 -12.366 1.00 1.77 C ATOM 1060 OE1 GLU A 67 12.224 5.585 -12.303 1.00 2.36 O ATOM 1061 OE2 GLU A 67 10.296 6.214 -13.159 1.00 2.79 O ATOM 0 H GLU A 67 11.882 10.017 -12.228 1.00 0.19 H new ATOM 0 HA GLU A 67 11.406 9.260 -9.391 1.00 0.21 H new ATOM 0 HB2 GLU A 67 12.969 8.362 -11.884 1.00 0.19 H new ATOM 0 HB3 GLU A 67 13.059 7.509 -10.356 1.00 0.19 H new ATOM 0 HG2 GLU A 67 10.675 6.955 -10.394 1.00 0.60 H new ATOM 0 HG3 GLU A 67 10.345 8.118 -11.663 1.00 0.60 H new ATOM 1068 N ASP A 68 14.215 10.602 -10.380 1.00 0.22 N ATOM 1069 CA ASP A 68 15.397 11.278 -9.811 1.00 0.25 C ATOM 1070 C ASP A 68 14.957 12.299 -8.797 1.00 0.24 C ATOM 1071 O ASP A 68 15.397 12.316 -7.663 1.00 0.19 O ATOM 1072 CB ASP A 68 16.195 11.742 -10.986 1.00 0.23 C ATOM 1073 CG ASP A 68 17.061 10.535 -11.300 1.00 0.39 C ATOM 1074 OD1 ASP A 68 18.012 10.418 -10.551 1.00 1.62 O ATOM 1075 OD2 ASP A 68 16.734 9.802 -12.215 1.00 0.57 O ATOM 0 H ASP A 68 14.191 10.550 -11.398 1.00 0.22 H new ATOM 0 HA ASP A 68 16.061 10.648 -9.220 1.00 0.25 H new ATOM 0 HB2 ASP A 68 15.557 12.012 -11.827 1.00 0.23 H new ATOM 0 HB3 ASP A 68 16.795 12.620 -10.746 1.00 0.23 H new ATOM 1080 N ALA A 69 14.072 13.109 -9.290 1.00 0.30 N ATOM 1081 CA ALA A 69 13.458 14.200 -8.495 1.00 0.32 C ATOM 1082 C ALA A 69 13.074 13.674 -7.089 1.00 0.41 C ATOM 1083 O ALA A 69 13.404 14.262 -6.081 1.00 0.43 O ATOM 1084 CB ALA A 69 12.238 14.572 -9.306 1.00 0.18 C ATOM 0 H ALA A 69 13.735 13.057 -10.251 1.00 0.30 H new ATOM 0 HA ALA A 69 14.117 15.052 -8.325 1.00 0.32 H new ATOM 0 HB1 ALA A 69 11.701 15.379 -8.807 1.00 0.18 H new ATOM 0 HB2 ALA A 69 12.547 14.901 -10.298 1.00 0.18 H new ATOM 0 HB3 ALA A 69 11.585 13.705 -9.399 1.00 0.18 H new ATOM 1090 N MET A 70 12.384 12.561 -7.082 1.00 0.44 N ATOM 1091 CA MET A 70 11.914 11.873 -5.872 1.00 0.45 C ATOM 1092 C MET A 70 13.037 11.321 -5.008 1.00 0.45 C ATOM 1093 O MET A 70 13.138 11.637 -3.841 1.00 0.42 O ATOM 1094 CB MET A 70 11.097 10.653 -6.373 1.00 0.45 C ATOM 1095 CG MET A 70 9.783 11.119 -7.010 1.00 0.47 C ATOM 1096 SD MET A 70 8.571 9.898 -7.576 1.00 0.61 S ATOM 1097 CE MET A 70 7.069 10.706 -6.965 1.00 0.38 C ATOM 0 H MET A 70 12.117 12.080 -7.941 1.00 0.44 H new ATOM 0 HA MET A 70 11.357 12.587 -5.266 1.00 0.45 H new ATOM 0 HB2 MET A 70 11.681 10.089 -7.100 1.00 0.45 H new ATOM 0 HB3 MET A 70 10.888 9.980 -5.541 1.00 0.45 H new ATOM 0 HG2 MET A 70 9.282 11.763 -6.287 1.00 0.47 H new ATOM 0 HG3 MET A 70 10.040 11.742 -7.867 1.00 0.47 H new ATOM 0 HE1 MET A 70 6.234 10.468 -7.624 1.00 0.38 H new ATOM 0 HE2 MET A 70 6.849 10.351 -5.958 1.00 0.38 H new ATOM 0 HE3 MET A 70 7.219 11.785 -6.945 1.00 0.38 H new ATOM 1107 N LYS A 71 13.847 10.496 -5.604 1.00 0.49 N ATOM 1108 CA LYS A 71 14.991 9.870 -4.895 1.00 0.49 C ATOM 1109 C LYS A 71 15.652 11.039 -4.185 1.00 0.45 C ATOM 1110 O LYS A 71 15.742 11.089 -2.979 1.00 0.51 O ATOM 1111 CB LYS A 71 15.837 9.182 -5.985 1.00 0.45 C ATOM 1112 CG LYS A 71 17.160 9.849 -6.283 1.00 2.63 C ATOM 1113 CD LYS A 71 18.059 8.935 -7.142 1.00 2.59 C ATOM 1114 CE LYS A 71 19.525 9.230 -6.810 1.00 3.81 C ATOM 1115 NZ LYS A 71 19.744 8.787 -5.393 1.00 4.41 N ATOM 0 H LYS A 71 13.760 10.222 -6.583 1.00 0.49 H new ATOM 0 HA LYS A 71 14.771 9.101 -4.155 1.00 0.49 H new ATOM 0 HB2 LYS A 71 16.027 8.153 -5.681 1.00 0.45 H new ATOM 0 HB3 LYS A 71 15.253 9.140 -6.904 1.00 0.45 H new ATOM 0 HG2 LYS A 71 16.987 10.790 -6.805 1.00 2.63 H new ATOM 0 HG3 LYS A 71 17.668 10.091 -5.349 1.00 2.63 H new ATOM 0 HD2 LYS A 71 17.831 7.888 -6.944 1.00 2.59 H new ATOM 0 HD3 LYS A 71 17.870 9.108 -8.201 1.00 2.59 H new ATOM 0 HE2 LYS A 71 20.190 8.697 -7.489 1.00 3.81 H new ATOM 0 HE3 LYS A 71 19.741 10.293 -6.921 1.00 3.81 H new ATOM 0 HZ1 LYS A 71 20.761 8.646 -5.227 1.00 4.41 H new ATOM 0 HZ2 LYS A 71 19.384 9.514 -4.742 1.00 4.41 H new ATOM 0 HZ3 LYS A 71 19.239 7.893 -5.227 1.00 4.41 H new ATOM 1129 N ALA A 72 16.052 11.948 -5.031 1.00 0.38 N ATOM 1130 CA ALA A 72 16.727 13.201 -4.599 1.00 0.42 C ATOM 1131 C ALA A 72 15.957 13.738 -3.370 1.00 0.34 C ATOM 1132 O ALA A 72 16.471 13.833 -2.274 1.00 0.39 O ATOM 1133 CB ALA A 72 16.665 14.134 -5.819 1.00 0.42 C ATOM 0 H ALA A 72 15.933 11.868 -6.041 1.00 0.38 H new ATOM 0 HA ALA A 72 17.767 13.084 -4.295 1.00 0.42 H new ATOM 0 HB1 ALA A 72 17.145 15.082 -5.577 1.00 0.42 H new ATOM 0 HB2 ALA A 72 17.182 13.670 -6.659 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.624 14.313 -6.088 1.00 0.42 H new ATOM 1139 N TYR A 73 14.727 14.071 -3.630 1.00 0.26 N ATOM 1140 CA TYR A 73 13.784 14.603 -2.600 1.00 0.22 C ATOM 1141 C TYR A 73 13.997 13.963 -1.208 1.00 0.34 C ATOM 1142 O TYR A 73 14.381 14.619 -0.262 1.00 0.47 O ATOM 1143 CB TYR A 73 12.382 14.177 -3.100 1.00 0.27 C ATOM 1144 CG TYR A 73 11.246 15.005 -2.565 1.00 0.18 C ATOM 1145 CD1 TYR A 73 11.109 16.283 -2.987 1.00 1.40 C ATOM 1146 CD2 TYR A 73 10.344 14.497 -1.674 1.00 1.66 C ATOM 1147 CE1 TYR A 73 10.084 17.059 -2.519 1.00 1.43 C ATOM 1148 CE2 TYR A 73 9.316 15.286 -1.222 1.00 1.61 C ATOM 1149 CZ TYR A 73 9.179 16.572 -1.640 1.00 0.16 C ATOM 1150 OH TYR A 73 8.141 17.373 -1.221 1.00 0.29 O ATOM 0 H TYR A 73 14.314 13.993 -4.560 1.00 0.26 H new ATOM 0 HA TYR A 73 13.925 15.678 -2.485 1.00 0.22 H new ATOM 0 HB2 TYR A 73 12.369 14.227 -4.189 1.00 0.27 H new ATOM 0 HB3 TYR A 73 12.215 13.135 -2.827 1.00 0.27 H new ATOM 0 HD1 TYR A 73 11.812 16.693 -3.697 1.00 1.40 H new ATOM 0 HD2 TYR A 73 10.439 13.479 -1.327 1.00 1.66 H new ATOM 0 HE1 TYR A 73 9.996 18.081 -2.858 1.00 1.43 H new ATOM 0 HE2 TYR A 73 8.603 14.878 -0.521 1.00 1.61 H new ATOM 0 HH TYR A 73 7.453 17.407 -1.918 1.00 0.29 H new ATOM 1160 N ILE A 74 13.770 12.677 -1.136 1.00 0.32 N ATOM 1161 CA ILE A 74 13.920 11.952 0.173 1.00 0.42 C ATOM 1162 C ILE A 74 15.386 12.022 0.602 1.00 0.45 C ATOM 1163 O ILE A 74 15.713 12.531 1.664 1.00 0.48 O ATOM 1164 CB ILE A 74 13.723 10.389 0.081 1.00 0.47 C ATOM 1165 CG1 ILE A 74 12.740 9.891 -1.001 1.00 0.48 C ATOM 1166 CG2 ILE A 74 13.276 9.997 1.491 1.00 0.42 C ATOM 1167 CD1 ILE A 74 13.227 8.503 -1.468 1.00 0.81 C ATOM 0 H ILE A 74 13.487 12.093 -1.923 1.00 0.32 H new ATOM 0 HA ILE A 74 13.181 12.418 0.825 1.00 0.42 H new ATOM 0 HB ILE A 74 14.650 9.914 -0.241 1.00 0.47 H new ATOM 0 HG12 ILE A 74 11.729 9.827 -0.600 1.00 0.48 H new ATOM 0 HG13 ILE A 74 12.707 10.588 -1.839 1.00 0.48 H new ATOM 0 HG21 ILE A 74 13.111 8.920 1.534 1.00 0.42 H new ATOM 0 HG22 ILE A 74 14.049 10.275 2.208 1.00 0.42 H new ATOM 0 HG23 ILE A 74 12.350 10.516 1.737 1.00 0.42 H new ATOM 0 HD11 ILE A 74 12.554 8.120 -2.235 1.00 0.81 H new ATOM 0 HD12 ILE A 74 14.233 8.590 -1.879 1.00 0.81 H new ATOM 0 HD13 ILE A 74 13.239 7.818 -0.621 1.00 0.81 H new ATOM 1179 N ASP A 75 16.194 11.486 -0.298 1.00 0.46 N ATOM 1180 CA ASP A 75 17.672 11.387 -0.191 1.00 0.55 C ATOM 1181 C ASP A 75 18.280 12.617 0.444 1.00 0.48 C ATOM 1182 O ASP A 75 19.302 12.559 1.100 1.00 0.56 O ATOM 1183 CB ASP A 75 18.248 11.175 -1.617 1.00 0.75 C ATOM 1184 CG ASP A 75 18.122 9.777 -2.212 1.00 1.06 C ATOM 1185 OD1 ASP A 75 17.517 8.942 -1.573 1.00 0.48 O ATOM 1186 OD2 ASP A 75 18.674 9.657 -3.300 1.00 2.25 O ATOM 0 H ASP A 75 15.840 11.086 -1.167 1.00 0.46 H new ATOM 0 HA ASP A 75 17.923 10.545 0.455 1.00 0.55 H new ATOM 0 HB2 ASP A 75 17.754 11.876 -2.290 1.00 0.75 H new ATOM 0 HB3 ASP A 75 19.305 11.442 -1.599 1.00 0.75 H new ATOM 1191 N LYS A 76 17.611 13.702 0.188 1.00 0.37 N ATOM 1192 CA LYS A 76 18.037 15.022 0.726 1.00 0.35 C ATOM 1193 C LYS A 76 17.225 15.432 1.960 1.00 0.38 C ATOM 1194 O LYS A 76 17.807 15.868 2.931 1.00 0.47 O ATOM 1195 CB LYS A 76 17.835 16.022 -0.397 1.00 0.39 C ATOM 1196 CG LYS A 76 19.172 16.665 -0.837 1.00 0.28 C ATOM 1197 CD LYS A 76 20.082 15.532 -1.403 1.00 1.38 C ATOM 1198 CE LYS A 76 21.398 16.110 -1.897 1.00 1.86 C ATOM 1199 NZ LYS A 76 22.282 14.946 -2.219 1.00 3.60 N ATOM 0 H LYS A 76 16.767 13.731 -0.385 1.00 0.37 H new ATOM 0 HA LYS A 76 19.076 14.979 1.051 1.00 0.35 H new ATOM 0 HB2 LYS A 76 17.373 15.524 -1.249 1.00 0.39 H new ATOM 0 HB3 LYS A 76 17.146 16.801 -0.071 1.00 0.39 H new ATOM 0 HG2 LYS A 76 18.997 17.429 -1.595 1.00 0.28 H new ATOM 0 HG3 LYS A 76 19.655 17.157 0.007 1.00 0.28 H new ATOM 0 HD2 LYS A 76 20.271 14.788 -0.629 1.00 1.38 H new ATOM 0 HD3 LYS A 76 19.572 15.021 -2.219 1.00 1.38 H new ATOM 0 HE2 LYS A 76 21.241 16.733 -2.778 1.00 1.86 H new ATOM 0 HE3 LYS A 76 21.853 16.743 -1.136 1.00 1.86 H new ATOM 0 HZ1 LYS A 76 23.200 15.292 -2.563 1.00 3.60 H new ATOM 0 HZ2 LYS A 76 22.427 14.373 -1.363 1.00 3.60 H new ATOM 0 HZ3 LYS A 76 21.834 14.363 -2.954 1.00 3.60 H new ATOM 1213 N VAL A 77 15.921 15.302 1.926 1.00 0.37 N ATOM 1214 CA VAL A 77 15.029 15.666 3.047 1.00 0.33 C ATOM 1215 C VAL A 77 15.665 15.327 4.369 1.00 0.34 C ATOM 1216 O VAL A 77 15.628 16.129 5.276 1.00 0.34 O ATOM 1217 CB VAL A 77 13.710 14.956 2.747 1.00 0.32 C ATOM 1218 CG1 VAL A 77 13.069 14.420 3.957 1.00 0.25 C ATOM 1219 CG2 VAL A 77 12.788 15.967 2.083 1.00 0.30 C ATOM 0 H VAL A 77 15.423 14.936 1.115 1.00 0.37 H new ATOM 0 HA VAL A 77 14.843 16.736 3.135 1.00 0.33 H new ATOM 0 HB VAL A 77 13.909 14.103 2.098 1.00 0.32 H new ATOM 0 HG11 VAL A 77 12.136 13.926 3.686 1.00 0.25 H new ATOM 0 HG12 VAL A 77 13.735 13.701 4.434 1.00 0.25 H new ATOM 0 HG13 VAL A 77 12.860 15.235 4.650 1.00 0.25 H new ATOM 0 HG21 VAL A 77 11.833 15.493 1.854 1.00 0.30 H new ATOM 0 HG22 VAL A 77 12.623 16.807 2.758 1.00 0.30 H new ATOM 0 HG23 VAL A 77 13.245 16.326 1.161 1.00 0.30 H new ATOM 1229 N GLU A 78 16.213 14.145 4.426 1.00 0.35 N ATOM 1230 CA GLU A 78 16.896 13.687 5.682 1.00 0.35 C ATOM 1231 C GLU A 78 17.549 14.852 6.470 1.00 0.37 C ATOM 1232 O GLU A 78 17.401 14.888 7.677 1.00 0.37 O ATOM 1233 CB GLU A 78 17.825 12.480 5.345 1.00 0.45 C ATOM 1234 CG GLU A 78 17.088 11.124 5.684 1.00 0.81 C ATOM 1235 CD GLU A 78 16.712 11.000 7.165 1.00 0.67 C ATOM 1236 OE1 GLU A 78 17.583 10.647 7.946 1.00 0.91 O ATOM 1237 OE2 GLU A 78 15.565 11.288 7.435 1.00 1.71 O ATOM 0 H GLU A 78 16.221 13.472 3.660 1.00 0.35 H new ATOM 0 HA GLU A 78 16.160 13.317 6.396 1.00 0.35 H new ATOM 0 HB2 GLU A 78 18.097 12.502 4.290 1.00 0.45 H new ATOM 0 HB3 GLU A 78 18.752 12.553 5.914 1.00 0.45 H new ATOM 0 HG2 GLU A 78 16.185 11.046 5.078 1.00 0.81 H new ATOM 0 HG3 GLU A 78 17.731 10.288 5.407 1.00 0.81 H new ATOM 1244 N GLU A 79 18.232 15.744 5.796 1.00 0.55 N ATOM 1245 CA GLU A 79 18.872 16.902 6.499 1.00 0.76 C ATOM 1246 C GLU A 79 17.738 17.705 7.167 1.00 0.69 C ATOM 1247 O GLU A 79 17.738 17.952 8.351 1.00 0.85 O ATOM 1248 CB GLU A 79 19.588 17.749 5.410 1.00 0.96 C ATOM 1249 CG GLU A 79 21.126 17.459 5.464 1.00 1.86 C ATOM 1250 CD GLU A 79 21.810 18.378 6.476 1.00 3.40 C ATOM 1251 OE1 GLU A 79 21.466 18.258 7.639 1.00 4.62 O ATOM 1252 OE2 GLU A 79 22.619 19.188 6.069 1.00 3.64 O ATOM 0 H GLU A 79 18.375 15.721 4.786 1.00 0.55 H new ATOM 0 HA GLU A 79 19.595 16.601 7.257 1.00 0.76 H new ATOM 0 HB2 GLU A 79 19.194 17.504 4.424 1.00 0.96 H new ATOM 0 HB3 GLU A 79 19.399 18.810 5.574 1.00 0.96 H new ATOM 0 HG2 GLU A 79 21.296 16.418 5.737 1.00 1.86 H new ATOM 0 HG3 GLU A 79 21.564 17.605 4.477 1.00 1.86 H new ATOM 1259 N LEU A 80 16.762 18.084 6.386 1.00 0.52 N ATOM 1260 CA LEU A 80 15.599 18.872 6.896 1.00 0.47 C ATOM 1261 C LEU A 80 14.877 18.174 8.027 1.00 0.49 C ATOM 1262 O LEU A 80 14.495 18.727 9.039 1.00 0.70 O ATOM 1263 CB LEU A 80 14.699 19.046 5.712 1.00 0.30 C ATOM 1264 CG LEU A 80 15.580 19.499 4.510 1.00 0.33 C ATOM 1265 CD1 LEU A 80 14.638 20.111 3.613 1.00 0.26 C ATOM 1266 CD2 LEU A 80 16.590 20.585 4.914 1.00 0.44 C ATOM 0 H LEU A 80 16.721 17.875 5.389 1.00 0.52 H new ATOM 0 HA LEU A 80 15.926 19.824 7.315 1.00 0.47 H new ATOM 0 HB2 LEU A 80 14.187 18.112 5.480 1.00 0.30 H new ATOM 0 HB3 LEU A 80 13.929 19.788 5.923 1.00 0.30 H new ATOM 0 HG LEU A 80 16.142 18.660 4.101 1.00 0.33 H new ATOM 0 HD11 LEU A 80 15.160 20.468 2.725 1.00 0.26 H new ATOM 0 HD12 LEU A 80 13.885 19.379 3.322 1.00 0.26 H new ATOM 0 HD13 LEU A 80 14.154 20.951 4.111 1.00 0.26 H new ATOM 0 HD21 LEU A 80 17.183 20.871 4.046 1.00 0.44 H new ATOM 0 HD22 LEU A 80 16.055 21.457 5.292 1.00 0.44 H new ATOM 0 HD23 LEU A 80 17.249 20.198 5.692 1.00 0.44 H new ATOM 1278 N LYS A 81 14.716 16.921 7.792 1.00 0.31 N ATOM 1279 CA LYS A 81 14.028 16.031 8.766 1.00 0.43 C ATOM 1280 C LYS A 81 14.811 16.008 10.096 1.00 0.64 C ATOM 1281 O LYS A 81 14.266 15.686 11.131 1.00 0.84 O ATOM 1282 CB LYS A 81 13.996 14.760 7.993 1.00 0.42 C ATOM 1283 CG LYS A 81 13.170 13.593 8.603 1.00 0.81 C ATOM 1284 CD LYS A 81 12.755 12.669 7.395 1.00 1.48 C ATOM 1285 CE LYS A 81 12.057 11.367 7.841 1.00 1.37 C ATOM 1286 NZ LYS A 81 13.074 10.386 8.296 1.00 1.54 N ATOM 0 H LYS A 81 15.038 16.453 6.945 1.00 0.31 H new ATOM 0 HA LYS A 81 13.029 16.317 9.095 1.00 0.43 H new ATOM 0 HB2 LYS A 81 13.600 14.975 7.001 1.00 0.42 H new ATOM 0 HB3 LYS A 81 15.022 14.417 7.859 1.00 0.42 H new ATOM 0 HG2 LYS A 81 13.760 13.038 9.333 1.00 0.81 H new ATOM 0 HG3 LYS A 81 12.290 13.970 9.125 1.00 0.81 H new ATOM 0 HD2 LYS A 81 12.089 13.223 6.734 1.00 1.48 H new ATOM 0 HD3 LYS A 81 13.643 12.418 6.815 1.00 1.48 H new ATOM 0 HE2 LYS A 81 11.354 11.577 8.647 1.00 1.37 H new ATOM 0 HE3 LYS A 81 11.480 10.951 7.015 1.00 1.37 H new ATOM 0 HZ1 LYS A 81 12.746 9.422 8.083 1.00 1.54 H new ATOM 0 HZ2 LYS A 81 13.972 10.563 7.803 1.00 1.54 H new ATOM 0 HZ3 LYS A 81 13.217 10.484 9.321 1.00 1.54 H new ATOM 1300 N LYS A 82 16.071 16.359 10.013 1.00 0.65 N ATOM 1301 CA LYS A 82 16.960 16.388 11.240 1.00 0.89 C ATOM 1302 C LYS A 82 17.153 17.777 11.851 1.00 1.10 C ATOM 1303 O LYS A 82 17.093 17.975 13.044 1.00 1.25 O ATOM 1304 CB LYS A 82 18.341 15.873 10.842 1.00 0.88 C ATOM 1305 CG LYS A 82 18.213 14.402 10.578 1.00 1.32 C ATOM 1306 CD LYS A 82 19.606 13.833 10.263 1.00 0.85 C ATOM 1307 CE LYS A 82 19.370 12.513 9.599 1.00 1.69 C ATOM 1308 NZ LYS A 82 18.830 12.841 8.255 1.00 1.85 N ATOM 0 H LYS A 82 16.534 16.630 9.146 1.00 0.65 H new ATOM 0 HA LYS A 82 16.464 15.772 11.990 1.00 0.89 H new ATOM 0 HB2 LYS A 82 18.703 16.392 9.954 1.00 0.88 H new ATOM 0 HB3 LYS A 82 19.063 16.059 11.637 1.00 0.88 H new ATOM 0 HG2 LYS A 82 17.787 13.898 11.446 1.00 1.32 H new ATOM 0 HG3 LYS A 82 17.535 14.226 9.743 1.00 1.32 H new ATOM 0 HD2 LYS A 82 20.164 14.504 9.610 1.00 0.85 H new ATOM 0 HD3 LYS A 82 20.194 13.713 11.173 1.00 0.85 H new ATOM 0 HE2 LYS A 82 20.294 11.940 9.522 1.00 1.69 H new ATOM 0 HE3 LYS A 82 18.666 11.907 10.169 1.00 1.69 H new ATOM 0 HZ1 LYS A 82 18.705 11.965 7.708 1.00 1.85 H new ATOM 0 HZ2 LYS A 82 17.912 13.320 8.357 1.00 1.85 H new ATOM 0 HZ3 LYS A 82 19.494 13.468 7.758 1.00 1.85 H new ATOM 1322 N LYS A 83 17.393 18.688 10.965 1.00 1.11 N ATOM 1323 CA LYS A 83 17.627 20.125 11.231 1.00 1.23 C ATOM 1324 C LYS A 83 16.373 20.904 11.622 1.00 1.09 C ATOM 1325 O LYS A 83 16.358 21.711 12.530 1.00 1.22 O ATOM 1326 CB LYS A 83 18.170 20.633 9.880 1.00 1.16 C ATOM 1327 CG LYS A 83 18.926 21.972 10.030 1.00 1.30 C ATOM 1328 CD LYS A 83 19.663 22.268 8.690 1.00 0.67 C ATOM 1329 CE LYS A 83 20.815 21.261 8.518 1.00 2.18 C ATOM 1330 NZ LYS A 83 20.887 20.874 7.088 1.00 2.92 N ATOM 0 H LYS A 83 17.440 18.467 9.970 1.00 1.11 H new ATOM 0 HA LYS A 83 18.294 20.265 12.082 1.00 1.23 H new ATOM 0 HB2 LYS A 83 18.838 19.885 9.453 1.00 1.16 H new ATOM 0 HB3 LYS A 83 17.343 20.759 9.181 1.00 1.16 H new ATOM 0 HG2 LYS A 83 18.230 22.777 10.267 1.00 1.30 H new ATOM 0 HG3 LYS A 83 19.640 21.915 10.852 1.00 1.30 H new ATOM 0 HD2 LYS A 83 18.968 22.192 7.854 1.00 0.67 H new ATOM 0 HD3 LYS A 83 20.051 23.287 8.691 1.00 0.67 H new ATOM 0 HE2 LYS A 83 21.758 21.704 8.839 1.00 2.18 H new ATOM 0 HE3 LYS A 83 20.647 20.382 9.141 1.00 2.18 H new ATOM 0 HZ1 LYS A 83 21.873 20.658 6.836 1.00 2.92 H new ATOM 0 HZ2 LYS A 83 20.296 20.034 6.926 1.00 2.92 H new ATOM 0 HZ3 LYS A 83 20.543 21.659 6.498 1.00 2.92 H new ATOM 1344 N TYR A 84 15.344 20.626 10.893 1.00 0.88 N ATOM 1345 CA TYR A 84 14.016 21.273 11.101 1.00 0.76 C ATOM 1346 C TYR A 84 12.974 20.385 11.774 1.00 0.91 C ATOM 1347 O TYR A 84 12.377 20.839 12.742 1.00 1.06 O ATOM 1348 CB TYR A 84 13.591 21.724 9.678 1.00 0.44 C ATOM 1349 CG TYR A 84 14.732 22.566 9.096 1.00 0.47 C ATOM 1350 CD1 TYR A 84 15.345 23.497 9.911 1.00 1.61 C ATOM 1351 CD2 TYR A 84 15.185 22.411 7.798 1.00 1.02 C ATOM 1352 CE1 TYR A 84 16.377 24.262 9.477 1.00 1.77 C ATOM 1353 CE2 TYR A 84 16.237 23.192 7.372 1.00 1.00 C ATOM 1354 CZ TYR A 84 16.837 24.122 8.210 1.00 0.89 C ATOM 1355 OH TYR A 84 17.884 24.923 7.823 1.00 1.18 O ATOM 0 H TYR A 84 15.361 19.951 10.129 1.00 0.88 H new ATOM 0 HA TYR A 84 14.092 22.102 11.804 1.00 0.76 H new ATOM 0 HB2 TYR A 84 13.393 20.859 9.046 1.00 0.44 H new ATOM 0 HB3 TYR A 84 12.670 22.305 9.720 1.00 0.44 H new ATOM 0 HD1 TYR A 84 14.992 23.619 10.924 1.00 1.61 H new ATOM 0 HD2 TYR A 84 14.725 21.694 7.134 1.00 1.02 H new ATOM 0 HE1 TYR A 84 16.832 24.982 10.141 1.00 1.77 H new ATOM 0 HE2 TYR A 84 16.603 23.078 6.362 1.00 1.00 H new ATOM 0 HH TYR A 84 18.275 24.573 6.995 1.00 1.18 H new ATOM 1365 N GLY A 85 12.816 19.191 11.246 1.00 0.90 N ATOM 1366 CA GLY A 85 11.829 18.202 11.797 1.00 1.14 C ATOM 1367 C GLY A 85 10.508 18.760 12.352 1.00 1.11 C ATOM 1368 O GLY A 85 10.024 19.827 12.033 1.00 1.04 O ATOM 0 H GLY A 85 13.341 18.854 10.439 1.00 0.90 H new ATOM 0 HA2 GLY A 85 11.589 17.489 11.008 1.00 1.14 H new ATOM 0 HA3 GLY A 85 12.320 17.643 12.593 1.00 1.14 H new ATOM 1372 N ILE A 86 9.954 17.974 13.206 1.00 1.28 N ATOM 1373 CA ILE A 86 8.707 18.257 13.870 1.00 1.44 C ATOM 1374 C ILE A 86 9.104 18.755 15.288 1.00 1.27 C ATOM 1375 O ILE A 86 10.137 18.353 15.798 1.00 0.85 O ATOM 1376 CB ILE A 86 7.982 16.894 13.792 1.00 1.79 C ATOM 1377 CG1 ILE A 86 7.076 16.852 14.937 1.00 2.52 C ATOM 1378 CG2 ILE A 86 8.914 15.609 13.845 1.00 0.89 C ATOM 1379 CD1 ILE A 86 5.843 16.070 14.512 1.00 2.14 C ATOM 1380 OXT ILE A 86 8.368 19.552 15.828 1.00 2.48 O ATOM 0 H ILE A 86 10.363 17.080 13.479 1.00 1.28 H new ATOM 0 HA ILE A 86 8.047 19.024 13.464 1.00 1.44 H new ATOM 0 HB ILE A 86 7.494 16.845 12.819 1.00 1.79 H new ATOM 0 HG12 ILE A 86 7.558 16.375 15.791 1.00 2.52 H new ATOM 0 HG13 ILE A 86 6.803 17.860 15.248 1.00 2.52 H new ATOM 0 HG21 ILE A 86 8.299 14.711 13.783 1.00 0.89 H new ATOM 0 HG22 ILE A 86 9.611 15.630 13.007 1.00 0.89 H new ATOM 0 HG23 ILE A 86 9.472 15.603 14.781 1.00 0.89 H new ATOM 0 HD11 ILE A 86 5.141 16.017 15.344 1.00 2.14 H new ATOM 0 HD12 ILE A 86 5.368 16.570 13.668 1.00 2.14 H new ATOM 0 HD13 ILE A 86 6.135 15.061 14.219 1.00 2.14 H new TER 1392 ILE A 86