USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 SER OG : rot 70:sc= 0.199 USER MOD Set 1.2: A 7 LYS NZ :NH3+ 175:sc= 1.86 (180deg=0.583) USER MOD Set 1.3: A 17 TYR OH : rot -149:sc= 2.34 USER MOD Single : A 2 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.4!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0212 F(o=-1.4,f=-0.021) USER MOD Single : A 25 HIS : no HD1:sc= -0.687 X(o=-0.69,f=-0.69) USER MOD Single : A 27 LYS NZ :NH3+ -114:sc= 0.0177 (180deg=0) USER MOD Single : A 32 TYR OH : rot 80:sc= 0.983 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.192) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0525 (180deg=-0.443) USER MOD Single : A 45 THR OG1 : rot -146:sc= -1.36! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.658 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.903 (180deg=0.897) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 111:sc= 0.733 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 88 THR OG1 : rot 157:sc= 1.2 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 90:sc= 1.23 USER MOD Single : A 94 GLN : amide:sc= 0.38 K(o=0.38,f=-1) USER MOD Single : A 95 LYS NZ :NH3+ -158:sc= -0.158 (180deg=-0.72) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.764 -9.979 -4.823 1.00 0.00 N ATOM 21 CA ASN A 2 81.922 -10.226 -5.677 1.00 0.00 C ATOM 22 C ASN A 2 82.525 -8.892 -6.097 1.00 0.00 C ATOM 23 O ASN A 2 81.943 -7.839 -5.829 1.00 0.00 O ATOM 24 CB ASN A 2 81.524 -11.019 -6.930 1.00 0.00 C ATOM 25 CG ASN A 2 81.325 -12.500 -6.668 1.00 0.00 C ATOM 26 OD1 ASN A 2 81.981 -13.087 -5.812 1.00 0.00 O ATOM 27 ND2 ASN A 2 80.417 -13.117 -7.412 1.00 0.00 N ATOM 0 HA ASN A 2 82.650 -10.812 -5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.603 -10.603 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.294 -10.892 -7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 2 80.244 -14.114 -7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 2 79.892 -12.595 -8.113 1.00 0.00 H new ATOM 34 N SER A 3 83.661 -8.929 -6.776 1.00 0.00 N ATOM 35 CA SER A 3 84.266 -7.715 -7.302 1.00 0.00 C ATOM 36 C SER A 3 83.388 -7.178 -8.421 1.00 0.00 C ATOM 37 O SER A 3 83.345 -5.976 -8.685 1.00 0.00 O ATOM 38 CB SER A 3 85.682 -7.994 -7.815 1.00 0.00 C ATOM 39 OG SER A 3 86.308 -6.813 -8.285 1.00 0.00 O ATOM 0 H SER A 3 84.181 -9.783 -6.975 1.00 0.00 H new ATOM 0 HA SER A 3 84.343 -6.972 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.280 -8.430 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.640 -8.729 -8.619 1.00 0.00 H new ATOM 0 HG SER A 3 86.509 -6.226 -7.527 1.00 0.00 H new ATOM 45 N GLU A 4 82.675 -8.096 -9.064 1.00 0.00 N ATOM 46 CA GLU A 4 81.677 -7.752 -10.068 1.00 0.00 C ATOM 47 C GLU A 4 80.614 -6.835 -9.462 1.00 0.00 C ATOM 48 O GLU A 4 80.136 -5.908 -10.111 1.00 0.00 O ATOM 49 CB GLU A 4 81.034 -9.031 -10.611 1.00 0.00 C ATOM 50 CG GLU A 4 79.891 -8.787 -11.579 1.00 0.00 C ATOM 51 CD GLU A 4 79.321 -10.073 -12.138 1.00 0.00 C ATOM 52 OE1 GLU A 4 78.625 -10.795 -11.396 1.00 0.00 O ATOM 53 OE2 GLU A 4 79.576 -10.370 -13.323 1.00 0.00 O ATOM 0 H GLU A 4 82.773 -9.099 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 4 82.160 -7.222 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.799 -9.625 -11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.666 -9.624 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.101 -8.234 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.242 -8.162 -12.400 1.00 0.00 H new ATOM 60 N VAL A 5 80.275 -7.090 -8.203 1.00 0.00 N ATOM 61 CA VAL A 5 79.295 -6.281 -7.489 1.00 0.00 C ATOM 62 C VAL A 5 79.846 -4.884 -7.228 1.00 0.00 C ATOM 63 O VAL A 5 79.147 -3.888 -7.403 1.00 0.00 O ATOM 64 CB VAL A 5 78.891 -6.942 -6.154 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.932 -6.061 -5.367 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.271 -8.303 -6.413 1.00 0.00 C ATOM 0 H VAL A 5 80.667 -7.855 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 5 78.407 -6.204 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 5 79.791 -7.070 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.667 -6.556 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.411 -5.106 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 5 77.030 -5.889 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.989 -8.761 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.385 -8.186 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.993 -8.940 -6.924 1.00 0.00 H new ATOM 76 N ILE A 6 81.110 -4.824 -6.822 1.00 0.00 N ATOM 77 CA ILE A 6 81.782 -3.549 -6.598 1.00 0.00 C ATOM 78 C ILE A 6 81.822 -2.745 -7.896 1.00 0.00 C ATOM 79 O ILE A 6 81.516 -1.552 -7.911 1.00 0.00 O ATOM 80 CB ILE A 6 83.218 -3.757 -6.069 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.192 -4.616 -4.801 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.886 -2.415 -5.793 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.567 -4.958 -4.263 1.00 0.00 C ATOM 0 H ILE A 6 81.690 -5.644 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 6 81.218 -2.999 -5.845 1.00 0.00 H new ATOM 0 HB ILE A 6 83.799 -4.276 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.631 -4.090 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.654 -5.541 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.897 -2.581 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.929 -1.834 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.310 -1.869 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.465 -5.568 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.125 -5.513 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 6 85.101 -4.040 -4.019 1.00 0.00 H new ATOM 95 N LYS A 7 82.179 -3.423 -8.984 1.00 0.00 N ATOM 96 CA LYS A 7 82.174 -2.820 -10.312 1.00 0.00 C ATOM 97 C LYS A 7 80.793 -2.267 -10.644 1.00 0.00 C ATOM 98 O LYS A 7 80.652 -1.098 -11.000 1.00 0.00 O ATOM 99 CB LYS A 7 82.579 -3.857 -11.365 1.00 0.00 C ATOM 100 CG LYS A 7 84.037 -4.275 -11.292 1.00 0.00 C ATOM 101 CD LYS A 7 84.298 -5.531 -12.110 1.00 0.00 C ATOM 102 CE LYS A 7 85.786 -5.813 -12.252 1.00 0.00 C ATOM 103 NZ LYS A 7 86.480 -5.865 -10.937 1.00 0.00 N ATOM 0 H LYS A 7 82.478 -4.398 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 7 82.893 -2.001 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.952 -4.741 -11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.377 -3.451 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.668 -3.464 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.314 -4.452 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.810 -6.382 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.853 -5.420 -13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.926 -6.761 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.242 -5.040 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.472 -6.143 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.444 -4.928 -10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.010 -6.561 -10.324 1.00 0.00 H new ATOM 117 N GLU A 8 79.780 -3.116 -10.502 1.00 0.00 N ATOM 118 CA GLU A 8 78.404 -2.748 -10.815 1.00 0.00 C ATOM 119 C GLU A 8 77.956 -1.540 -9.991 1.00 0.00 C ATOM 120 O GLU A 8 77.362 -0.601 -10.520 1.00 0.00 O ATOM 121 CB GLU A 8 77.480 -3.940 -10.553 1.00 0.00 C ATOM 122 CG GLU A 8 76.048 -3.719 -11.003 1.00 0.00 C ATOM 123 CD GLU A 8 75.152 -4.902 -10.704 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.314 -5.958 -11.349 1.00 0.00 O ATOM 125 OE2 GLU A 8 74.261 -4.772 -9.839 1.00 0.00 O ATOM 0 H GLU A 8 79.889 -4.074 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 8 78.350 -2.473 -11.868 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.880 -4.816 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 8 77.485 -4.163 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 75.649 -2.833 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.035 -3.520 -12.075 1.00 0.00 H new ATOM 132 N PHE A 9 78.262 -1.565 -8.700 1.00 0.00 N ATOM 133 CA PHE A 9 77.872 -0.492 -7.792 1.00 0.00 C ATOM 134 C PHE A 9 78.540 0.828 -8.172 1.00 0.00 C ATOM 135 O PHE A 9 77.887 1.872 -8.224 1.00 0.00 O ATOM 136 CB PHE A 9 78.231 -0.869 -6.348 1.00 0.00 C ATOM 137 CG PHE A 9 77.888 0.190 -5.336 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.573 0.410 -4.961 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.883 0.969 -4.764 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.255 1.385 -4.034 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.571 1.944 -3.838 1.00 0.00 C ATOM 142 CZ PHE A 9 77.256 2.153 -3.472 1.00 0.00 C ATOM 0 H PHE A 9 78.782 -2.321 -8.255 1.00 0.00 H new ATOM 0 HA PHE A 9 76.793 -0.358 -7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.712 -1.791 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.299 -1.078 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.787 -0.187 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.913 0.811 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.226 1.546 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.355 2.543 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.011 2.916 -2.748 1.00 0.00 H new ATOM 152 N LEU A 10 79.836 0.780 -8.451 1.00 0.00 N ATOM 153 CA LEU A 10 80.589 1.986 -8.769 1.00 0.00 C ATOM 154 C LEU A 10 80.206 2.532 -10.139 1.00 0.00 C ATOM 155 O LEU A 10 80.181 3.746 -10.340 1.00 0.00 O ATOM 156 CB LEU A 10 82.091 1.719 -8.695 1.00 0.00 C ATOM 157 CG LEU A 10 82.608 1.364 -7.300 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.104 1.126 -7.329 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.265 2.461 -6.306 1.00 0.00 C ATOM 0 H LEU A 10 80.386 -0.079 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 10 80.336 2.743 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.336 0.904 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.621 2.602 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 10 82.119 0.444 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.452 0.875 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.328 0.303 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.609 2.028 -7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 10 82.641 2.189 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 10 82.724 3.397 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.183 2.585 -6.260 1.00 0.00 H new ATOM 171 N GLU A 11 79.900 1.644 -11.075 1.00 0.00 N ATOM 172 CA GLU A 11 79.424 2.064 -12.386 1.00 0.00 C ATOM 173 C GLU A 11 78.025 2.654 -12.279 1.00 0.00 C ATOM 174 O GLU A 11 77.668 3.576 -13.010 1.00 0.00 O ATOM 175 CB GLU A 11 79.424 0.894 -13.370 1.00 0.00 C ATOM 176 CG GLU A 11 80.814 0.478 -13.813 1.00 0.00 C ATOM 177 CD GLU A 11 81.557 1.604 -14.498 1.00 0.00 C ATOM 178 OE1 GLU A 11 81.225 1.923 -15.659 1.00 0.00 O ATOM 179 OE2 GLU A 11 82.475 2.179 -13.877 1.00 0.00 O ATOM 0 H GLU A 11 79.972 0.634 -10.952 1.00 0.00 H new ATOM 0 HA GLU A 11 80.104 2.829 -12.761 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.928 0.041 -12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.838 1.167 -14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.384 0.143 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.738 -0.371 -14.492 1.00 0.00 H new ATOM 186 N ASP A 12 77.242 2.117 -11.355 1.00 0.00 N ATOM 187 CA ASP A 12 75.887 2.596 -11.119 1.00 0.00 C ATOM 188 C ASP A 12 75.907 4.041 -10.634 1.00 0.00 C ATOM 189 O ASP A 12 75.248 4.910 -11.207 1.00 0.00 O ATOM 190 CB ASP A 12 75.190 1.710 -10.087 1.00 0.00 C ATOM 191 CG ASP A 12 73.749 2.104 -9.852 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.499 2.998 -9.021 1.00 0.00 O ATOM 193 OD2 ASP A 12 72.859 1.499 -10.485 1.00 0.00 O ATOM 0 H ASP A 12 77.524 1.344 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 12 75.336 2.552 -12.059 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.228 0.673 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.734 1.762 -9.144 1.00 0.00 H new ATOM 198 N ILE A 13 76.693 4.295 -9.593 1.00 0.00 N ATOM 199 CA ILE A 13 76.771 5.627 -9.001 1.00 0.00 C ATOM 200 C ILE A 13 77.644 6.561 -9.835 1.00 0.00 C ATOM 201 O ILE A 13 77.579 7.780 -9.685 1.00 0.00 O ATOM 202 CB ILE A 13 77.314 5.579 -7.554 1.00 0.00 C ATOM 203 CG1 ILE A 13 78.729 4.991 -7.524 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.375 4.773 -6.666 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.363 4.996 -6.149 1.00 0.00 C ATOM 0 H ILE A 13 77.285 3.597 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 13 75.753 6.015 -8.982 1.00 0.00 H new ATOM 0 HB ILE A 13 77.365 6.598 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.695 3.966 -7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.362 5.556 -8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 13 76.768 4.747 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.389 5.239 -6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.294 3.756 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.362 4.565 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 13 79.431 6.021 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 13 78.753 4.406 -5.465 1.00 0.00 H new ATOM 217 N GLY A 14 78.460 5.988 -10.710 1.00 0.00 N ATOM 218 CA GLY A 14 79.329 6.789 -11.549 1.00 0.00 C ATOM 219 C GLY A 14 80.536 7.304 -10.791 1.00 0.00 C ATOM 220 O GLY A 14 80.733 8.515 -10.665 1.00 0.00 O ATOM 0 H GLY A 14 78.535 4.981 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.662 6.193 -12.399 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.767 7.632 -11.952 1.00 0.00 H new ATOM 224 N GLU A 15 81.336 6.384 -10.279 1.00 0.00 N ATOM 225 CA GLU A 15 82.513 6.738 -9.502 1.00 0.00 C ATOM 226 C GLU A 15 83.780 6.349 -10.261 1.00 0.00 C ATOM 227 O GLU A 15 83.734 5.507 -11.161 1.00 0.00 O ATOM 228 CB GLU A 15 82.463 6.041 -8.137 1.00 0.00 C ATOM 229 CG GLU A 15 83.514 6.533 -7.157 1.00 0.00 C ATOM 230 CD GLU A 15 83.466 8.035 -6.973 1.00 0.00 C ATOM 231 OE1 GLU A 15 82.589 8.520 -6.231 1.00 0.00 O ATOM 232 OE2 GLU A 15 84.303 8.736 -7.577 1.00 0.00 O ATOM 0 H GLU A 15 81.191 5.380 -10.388 1.00 0.00 H new ATOM 0 HA GLU A 15 82.527 7.816 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 15 81.475 6.189 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.590 4.968 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 15 83.366 6.046 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 15 84.503 6.244 -7.512 1.00 0.00 H new ATOM 239 N ASP A 16 84.898 6.976 -9.908 1.00 0.00 N ATOM 240 CA ASP A 16 86.177 6.678 -10.545 1.00 0.00 C ATOM 241 C ASP A 16 86.685 5.307 -10.123 1.00 0.00 C ATOM 242 O ASP A 16 86.958 5.064 -8.945 1.00 0.00 O ATOM 243 CB ASP A 16 87.224 7.748 -10.214 1.00 0.00 C ATOM 244 CG ASP A 16 87.035 9.019 -11.018 1.00 0.00 C ATOM 245 OD1 ASP A 16 87.507 9.075 -12.173 1.00 0.00 O ATOM 246 OD2 ASP A 16 86.414 9.975 -10.503 1.00 0.00 O ATOM 0 H ASP A 16 84.945 7.693 -9.185 1.00 0.00 H new ATOM 0 HA ASP A 16 86.014 6.677 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.173 7.984 -9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.220 7.347 -10.404 1.00 0.00 H new ATOM 251 N TYR A 17 86.816 4.420 -11.094 1.00 0.00 N ATOM 252 CA TYR A 17 87.228 3.052 -10.837 1.00 0.00 C ATOM 253 C TYR A 17 88.568 2.770 -11.505 1.00 0.00 C ATOM 254 O TYR A 17 88.706 2.904 -12.721 1.00 0.00 O ATOM 255 CB TYR A 17 86.157 2.090 -11.356 1.00 0.00 C ATOM 256 CG TYR A 17 86.431 0.633 -11.067 1.00 0.00 C ATOM 257 CD1 TYR A 17 86.204 0.106 -9.806 1.00 0.00 C ATOM 258 CD2 TYR A 17 86.901 -0.219 -12.060 1.00 0.00 C ATOM 259 CE1 TYR A 17 86.435 -1.226 -9.537 1.00 0.00 C ATOM 260 CE2 TYR A 17 87.130 -1.555 -11.800 1.00 0.00 C ATOM 261 CZ TYR A 17 86.897 -2.052 -10.536 1.00 0.00 C ATOM 262 OH TYR A 17 87.115 -3.380 -10.271 1.00 0.00 O ATOM 0 H TYR A 17 86.641 4.626 -12.077 1.00 0.00 H new ATOM 0 HA TYR A 17 87.345 2.907 -9.763 1.00 0.00 H new ATOM 0 HB2 TYR A 17 85.198 2.361 -10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.060 2.222 -12.434 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.840 0.750 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 87.090 0.170 -13.050 1.00 0.00 H new ATOM 0 HE1 TYR A 17 86.254 -1.619 -8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.490 -2.207 -12.582 1.00 0.00 H new ATOM 0 HH TYR A 17 87.851 -3.708 -10.828 1.00 0.00 H new ATOM 272 N ILE A 18 89.558 2.391 -10.711 1.00 0.00 N ATOM 273 CA ILE A 18 90.883 2.112 -11.238 1.00 0.00 C ATOM 274 C ILE A 18 91.297 0.677 -10.929 1.00 0.00 C ATOM 275 O ILE A 18 91.588 0.338 -9.779 1.00 0.00 O ATOM 276 CB ILE A 18 91.941 3.078 -10.658 1.00 0.00 C ATOM 277 CG1 ILE A 18 91.530 4.534 -10.905 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.308 2.801 -11.272 1.00 0.00 C ATOM 279 CD1 ILE A 18 92.472 5.546 -10.290 1.00 0.00 C ATOM 0 H ILE A 18 89.468 2.270 -9.702 1.00 0.00 H new ATOM 0 HA ILE A 18 90.832 2.254 -12.318 1.00 0.00 H new ATOM 0 HB ILE A 18 92.005 2.914 -9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 18 91.474 4.709 -11.979 1.00 0.00 H new ATOM 0 HG13 ILE A 18 90.529 4.692 -10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.041 3.490 -10.853 1.00 0.00 H new ATOM 0 HG22 ILE A 18 93.605 1.776 -11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.256 2.939 -12.352 1.00 0.00 H new ATOM 0 HD11 ILE A 18 92.116 6.553 -10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 18 92.510 5.399 -9.211 1.00 0.00 H new ATOM 0 HD13 ILE A 18 93.470 5.416 -10.709 1.00 0.00 H new ATOM 291 N GLU A 19 91.302 -0.166 -11.953 1.00 0.00 N ATOM 292 CA GLU A 19 91.776 -1.530 -11.802 1.00 0.00 C ATOM 293 C GLU A 19 92.858 -1.824 -12.832 1.00 0.00 C ATOM 294 O GLU A 19 92.652 -1.659 -14.032 1.00 0.00 O ATOM 295 CB GLU A 19 90.642 -2.546 -11.945 1.00 0.00 C ATOM 296 CG GLU A 19 91.071 -3.960 -11.580 1.00 0.00 C ATOM 297 CD GLU A 19 90.031 -5.009 -11.900 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.929 -4.960 -11.321 1.00 0.00 O ATOM 299 OE2 GLU A 19 90.321 -5.894 -12.732 1.00 0.00 O ATOM 0 H GLU A 19 90.984 0.072 -12.893 1.00 0.00 H new ATOM 0 HA GLU A 19 92.187 -1.624 -10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.810 -2.247 -11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.277 -2.535 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.992 -4.200 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 19 91.298 -3.998 -10.515 1.00 0.00 H new ATOM 306 N LEU A 20 94.005 -2.264 -12.348 1.00 0.00 N ATOM 307 CA LEU A 20 95.128 -2.615 -13.202 1.00 0.00 C ATOM 308 C LEU A 20 95.117 -4.108 -13.482 1.00 0.00 C ATOM 309 O LEU A 20 96.144 -4.779 -13.385 1.00 0.00 O ATOM 310 CB LEU A 20 96.434 -2.217 -12.527 1.00 0.00 C ATOM 311 CG LEU A 20 96.607 -0.719 -12.286 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.891 -0.465 -11.526 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.602 0.045 -13.605 1.00 0.00 C ATOM 0 H LEU A 20 94.186 -2.389 -11.352 1.00 0.00 H new ATOM 0 HA LEU A 20 95.041 -2.079 -14.147 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.503 -2.734 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 20 97.264 -2.569 -13.140 1.00 0.00 H new ATOM 0 HG LEU A 20 95.768 -0.361 -11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 20 98.008 0.605 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.854 -0.982 -10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.736 -0.836 -12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.727 1.110 -13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.421 -0.307 -14.232 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.655 -0.121 -14.118 1.00 0.00 H new ATOM 325 N GLU A 21 93.937 -4.605 -13.829 1.00 0.00 N ATOM 326 CA GLU A 21 93.711 -6.024 -14.094 1.00 0.00 C ATOM 327 C GLU A 21 93.882 -6.843 -12.815 1.00 0.00 C ATOM 328 O GLU A 21 94.998 -7.194 -12.424 1.00 0.00 O ATOM 329 CB GLU A 21 94.638 -6.537 -15.206 1.00 0.00 C ATOM 330 CG GLU A 21 94.380 -7.981 -15.604 1.00 0.00 C ATOM 331 CD GLU A 21 95.228 -8.418 -16.781 1.00 0.00 C ATOM 332 OE1 GLU A 21 96.369 -8.869 -16.567 1.00 0.00 O ATOM 333 OE2 GLU A 21 94.754 -8.314 -17.931 1.00 0.00 O ATOM 0 H GLU A 21 93.101 -4.031 -13.936 1.00 0.00 H new ATOM 0 HA GLU A 21 92.685 -6.143 -14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 21 94.522 -5.902 -16.084 1.00 0.00 H new ATOM 0 HB3 GLU A 21 95.673 -6.440 -14.877 1.00 0.00 H new ATOM 0 HG2 GLU A 21 94.583 -8.631 -14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 21 93.326 -8.103 -15.854 1.00 0.00 H new ATOM 340 N ASN A 22 92.756 -7.092 -12.144 1.00 0.00 N ATOM 341 CA ASN A 22 92.711 -7.876 -10.902 1.00 0.00 C ATOM 342 C ASN A 22 93.280 -7.097 -9.717 1.00 0.00 C ATOM 343 O ASN A 22 93.195 -7.548 -8.573 1.00 0.00 O ATOM 344 CB ASN A 22 93.443 -9.219 -11.043 1.00 0.00 C ATOM 345 CG ASN A 22 92.803 -10.149 -12.062 1.00 0.00 C ATOM 346 OD1 ASN A 22 91.493 -10.049 -12.233 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 93.486 -10.959 -12.688 1.00 0.00 N flip ATOM 0 H ASN A 22 91.842 -6.755 -12.447 1.00 0.00 H new ATOM 0 HA ASN A 22 91.658 -8.078 -10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.478 -9.032 -11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 22 93.467 -9.715 -10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 22 94.492 -11.007 -12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 22 93.046 -11.582 -13.365 1.00 0.00 H new ATOM 354 N GLU A 23 93.871 -5.941 -9.988 1.00 0.00 N ATOM 355 CA GLU A 23 94.357 -5.074 -8.926 1.00 0.00 C ATOM 356 C GLU A 23 93.529 -3.798 -8.896 1.00 0.00 C ATOM 357 O GLU A 23 93.588 -2.994 -9.820 1.00 0.00 O ATOM 358 CB GLU A 23 95.833 -4.736 -9.165 1.00 0.00 C ATOM 359 CG GLU A 23 96.457 -3.868 -8.082 1.00 0.00 C ATOM 360 CD GLU A 23 96.633 -4.599 -6.767 1.00 0.00 C ATOM 361 OE1 GLU A 23 96.194 -5.765 -6.663 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.217 -4.010 -5.832 1.00 0.00 O ATOM 0 H GLU A 23 94.025 -5.584 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 23 94.264 -5.586 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 23 96.399 -5.664 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.927 -4.225 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 97.428 -3.510 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.831 -2.990 -7.922 1.00 0.00 H new ATOM 369 N ILE A 24 92.779 -3.603 -7.828 1.00 0.00 N ATOM 370 CA ILE A 24 91.902 -2.448 -7.723 1.00 0.00 C ATOM 371 C ILE A 24 92.463 -1.449 -6.730 1.00 0.00 C ATOM 372 O ILE A 24 92.898 -1.823 -5.647 1.00 0.00 O ATOM 373 CB ILE A 24 90.479 -2.842 -7.272 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.909 -3.936 -8.172 1.00 0.00 C ATOM 375 CG2 ILE A 24 89.563 -1.626 -7.281 1.00 0.00 C ATOM 376 CD1 ILE A 24 88.557 -4.441 -7.718 1.00 0.00 C ATOM 0 H ILE A 24 92.758 -4.227 -7.021 1.00 0.00 H new ATOM 0 HA ILE A 24 91.844 -2.004 -8.717 1.00 0.00 H new ATOM 0 HB ILE A 24 90.540 -3.229 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.823 -3.552 -9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 24 90.609 -4.771 -8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 24 88.564 -1.921 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 24 89.954 -0.871 -6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 24 89.514 -1.215 -8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 24 88.210 -5.216 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 24 88.642 -4.854 -6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.844 -3.617 -7.712 1.00 0.00 H new ATOM 388 N HIS A 25 92.478 -0.187 -7.112 1.00 0.00 N ATOM 389 CA HIS A 25 92.853 0.886 -6.204 1.00 0.00 C ATOM 390 C HIS A 25 91.727 1.913 -6.181 1.00 0.00 C ATOM 391 O HIS A 25 91.537 2.658 -7.141 1.00 0.00 O ATOM 392 CB HIS A 25 94.188 1.522 -6.621 1.00 0.00 C ATOM 393 CG HIS A 25 95.391 0.654 -6.340 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.530 1.120 -5.716 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.625 -0.658 -6.601 1.00 0.00 C ATOM 396 CE1 HIS A 25 97.404 0.132 -5.601 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.879 -0.958 -6.130 1.00 0.00 N ATOM 0 H HIS A 25 92.233 0.125 -8.052 1.00 0.00 H new ATOM 0 HA HIS A 25 92.998 0.487 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 25 94.155 1.747 -7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.306 2.471 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.947 -1.342 -7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 25 98.383 0.205 -5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 25 97.330 -1.871 -6.180 1.00 0.00 H new ATOM 406 N LEU A 26 90.962 1.922 -5.096 1.00 0.00 N ATOM 407 CA LEU A 26 89.717 2.684 -5.049 1.00 0.00 C ATOM 408 C LEU A 26 89.886 4.062 -4.428 1.00 0.00 C ATOM 409 O LEU A 26 90.977 4.459 -4.018 1.00 0.00 O ATOM 410 CB LEU A 26 88.642 1.912 -4.282 1.00 0.00 C ATOM 411 CG LEU A 26 88.057 0.706 -5.014 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.950 0.069 -4.187 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.529 1.122 -6.378 1.00 0.00 C ATOM 0 H LEU A 26 91.179 1.413 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 26 89.409 2.826 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.067 1.572 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.830 2.597 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 26 88.847 -0.031 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.544 -0.789 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.354 -0.259 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.158 0.798 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 26 87.115 0.252 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.750 1.874 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.343 1.538 -6.972 1.00 0.00 H new ATOM 425 N LYS A 27 88.769 4.777 -4.368 1.00 0.00 N ATOM 426 CA LYS A 27 88.717 6.125 -3.830 1.00 0.00 C ATOM 427 C LYS A 27 88.489 6.075 -2.320 1.00 0.00 C ATOM 428 O LYS A 27 87.611 5.350 -1.850 1.00 0.00 O ATOM 429 CB LYS A 27 87.595 6.893 -4.533 1.00 0.00 C ATOM 430 CG LYS A 27 87.549 8.379 -4.224 1.00 0.00 C ATOM 431 CD LYS A 27 86.548 9.082 -5.123 1.00 0.00 C ATOM 432 CE LYS A 27 86.503 10.573 -4.859 1.00 0.00 C ATOM 433 NZ LYS A 27 85.644 11.281 -5.845 1.00 0.00 N ATOM 0 H LYS A 27 87.867 4.431 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 27 89.662 6.638 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.705 6.763 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 86.640 6.449 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 87.277 8.530 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.538 8.815 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.810 8.906 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.557 8.655 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 27 86.126 10.753 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.513 10.980 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.232 11.909 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.169 10.585 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.930 11.845 -5.341 1.00 0.00 H new ATOM 447 N PRO A 28 89.279 6.850 -1.554 1.00 0.00 N ATOM 448 CA PRO A 28 89.293 6.809 -0.081 1.00 0.00 C ATOM 449 C PRO A 28 87.910 6.720 0.573 1.00 0.00 C ATOM 450 O PRO A 28 87.543 5.676 1.117 1.00 0.00 O ATOM 451 CB PRO A 28 89.976 8.120 0.291 1.00 0.00 C ATOM 452 CG PRO A 28 90.909 8.386 -0.838 1.00 0.00 C ATOM 453 CD PRO A 28 90.244 7.842 -2.075 1.00 0.00 C ATOM 0 HA PRO A 28 89.796 5.910 0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.252 8.926 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.511 8.035 1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 28 91.103 9.454 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 28 91.871 7.902 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.743 8.629 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.967 7.381 -2.747 1.00 0.00 H new ATOM 461 N GLU A 29 87.133 7.800 0.506 1.00 0.00 N ATOM 462 CA GLU A 29 85.864 7.864 1.231 1.00 0.00 C ATOM 463 C GLU A 29 84.775 7.035 0.558 1.00 0.00 C ATOM 464 O GLU A 29 83.662 6.925 1.071 1.00 0.00 O ATOM 465 CB GLU A 29 85.397 9.312 1.401 1.00 0.00 C ATOM 466 CG GLU A 29 86.318 10.139 2.280 1.00 0.00 C ATOM 467 CD GLU A 29 85.719 11.475 2.666 1.00 0.00 C ATOM 468 OE1 GLU A 29 85.727 12.402 1.829 1.00 0.00 O ATOM 469 OE2 GLU A 29 85.252 11.614 3.815 1.00 0.00 O ATOM 0 H GLU A 29 87.356 8.634 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 29 86.045 7.436 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 29 85.324 9.781 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 29 84.395 9.316 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 29 86.552 9.576 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 29 87.259 10.306 1.756 1.00 0.00 H new ATOM 476 N VAL A 30 85.099 6.448 -0.583 1.00 0.00 N ATOM 477 CA VAL A 30 84.173 5.557 -1.264 1.00 0.00 C ATOM 478 C VAL A 30 84.384 4.126 -0.779 1.00 0.00 C ATOM 479 O VAL A 30 83.426 3.413 -0.473 1.00 0.00 O ATOM 480 CB VAL A 30 84.339 5.630 -2.795 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.392 4.665 -3.494 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.106 7.052 -3.282 1.00 0.00 C ATOM 0 H VAL A 30 85.994 6.572 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 30 83.158 5.877 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 30 85.359 5.337 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.530 4.737 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.604 3.647 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.362 4.919 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.226 7.090 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.096 7.366 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 30 84.828 7.720 -2.813 1.00 0.00 H new ATOM 492 N PHE A 31 85.651 3.726 -0.683 1.00 0.00 N ATOM 493 CA PHE A 31 86.013 2.401 -0.190 1.00 0.00 C ATOM 494 C PHE A 31 85.487 2.193 1.224 1.00 0.00 C ATOM 495 O PHE A 31 85.089 1.089 1.590 1.00 0.00 O ATOM 496 CB PHE A 31 87.535 2.223 -0.219 1.00 0.00 C ATOM 497 CG PHE A 31 88.010 0.914 0.355 1.00 0.00 C ATOM 498 CD1 PHE A 31 87.929 -0.254 -0.386 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.543 0.856 1.634 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.368 -1.454 0.140 1.00 0.00 C ATOM 501 CE2 PHE A 31 88.983 -0.341 2.162 1.00 0.00 C ATOM 502 CZ PHE A 31 88.896 -1.497 1.414 1.00 0.00 C ATOM 0 H PHE A 31 86.448 4.307 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 31 85.558 1.655 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 31 87.880 2.302 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 31 87.997 3.040 0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 31 87.519 -0.226 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.615 1.758 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.298 -2.358 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.395 -0.373 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.241 -2.434 1.825 1.00 0.00 H new ATOM 512 N TYR A 32 85.477 3.267 2.002 1.00 0.00 N ATOM 513 CA TYR A 32 84.975 3.233 3.371 1.00 0.00 C ATOM 514 C TYR A 32 83.551 2.674 3.430 1.00 0.00 C ATOM 515 O TYR A 32 83.217 1.884 4.314 1.00 0.00 O ATOM 516 CB TYR A 32 85.017 4.643 3.971 1.00 0.00 C ATOM 517 CG TYR A 32 84.347 4.760 5.322 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.911 4.187 6.457 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.149 5.451 5.462 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.296 4.299 7.690 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.531 5.565 6.690 1.00 0.00 C ATOM 522 CZ TYR A 32 83.108 4.988 7.800 1.00 0.00 C ATOM 523 OH TYR A 32 82.493 5.105 9.025 1.00 0.00 O ATOM 0 H TYR A 32 85.815 4.183 1.705 1.00 0.00 H new ATOM 0 HA TYR A 32 85.615 2.571 3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.057 4.955 4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.538 5.335 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.843 3.647 6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.694 5.906 4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.745 3.848 8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.599 6.104 6.781 1.00 0.00 H new ATOM 0 HH TYR A 32 82.926 5.816 9.542 1.00 0.00 H new ATOM 533 N GLU A 33 82.720 3.071 2.476 1.00 0.00 N ATOM 534 CA GLU A 33 81.334 2.632 2.458 1.00 0.00 C ATOM 535 C GLU A 33 81.201 1.264 1.807 1.00 0.00 C ATOM 536 O GLU A 33 80.296 0.500 2.141 1.00 0.00 O ATOM 537 CB GLU A 33 80.455 3.653 1.748 1.00 0.00 C ATOM 538 CG GLU A 33 80.512 5.022 2.393 1.00 0.00 C ATOM 539 CD GLU A 33 79.366 5.910 1.974 1.00 0.00 C ATOM 540 OE1 GLU A 33 79.485 6.601 0.943 1.00 0.00 O ATOM 541 OE2 GLU A 33 78.347 5.937 2.696 1.00 0.00 O ATOM 0 H GLU A 33 82.980 3.692 1.710 1.00 0.00 H new ATOM 0 HA GLU A 33 80.996 2.547 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 33 80.767 3.733 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.424 3.300 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.502 4.909 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.454 5.504 2.132 1.00 0.00 H new ATOM 548 N VAL A 34 82.104 0.958 0.881 1.00 0.00 N ATOM 549 CA VAL A 34 82.156 -0.368 0.273 1.00 0.00 C ATOM 550 C VAL A 34 82.559 -1.396 1.327 1.00 0.00 C ATOM 551 O VAL A 34 82.063 -2.523 1.346 1.00 0.00 O ATOM 552 CB VAL A 34 83.152 -0.416 -0.911 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.201 -1.808 -1.527 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.780 0.618 -1.964 1.00 0.00 C ATOM 0 H VAL A 34 82.809 1.609 0.535 1.00 0.00 H new ATOM 0 HA VAL A 34 81.165 -0.600 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 34 84.144 -0.180 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.908 -1.814 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.519 -2.528 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.211 -2.079 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.491 0.570 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.777 0.412 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.805 1.614 -1.521 1.00 0.00 H new ATOM 564 N TRP A 35 83.454 -0.978 2.213 1.00 0.00 N ATOM 565 CA TRP A 35 83.873 -1.788 3.344 1.00 0.00 C ATOM 566 C TRP A 35 82.666 -2.194 4.190 1.00 0.00 C ATOM 567 O TRP A 35 82.451 -3.376 4.450 1.00 0.00 O ATOM 568 CB TRP A 35 84.890 -1.004 4.182 1.00 0.00 C ATOM 569 CG TRP A 35 85.300 -1.686 5.450 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.914 -2.897 5.572 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.140 -1.182 6.780 1.00 0.00 C ATOM 572 NE1 TRP A 35 86.135 -3.182 6.896 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.670 -2.144 7.657 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.595 -0.010 7.314 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.673 -1.971 9.038 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.598 0.161 8.685 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.135 -0.815 9.534 1.00 0.00 C ATOM 0 H TRP A 35 83.909 -0.066 2.165 1.00 0.00 H new ATOM 0 HA TRP A 35 84.344 -2.701 2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.778 -0.822 3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.467 -0.030 4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 35 86.187 -3.538 4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.574 -4.030 7.255 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.179 0.748 6.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.085 -2.723 9.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.179 1.062 9.109 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.124 -0.652 10.602 1.00 0.00 H new ATOM 588 N LYS A 36 81.868 -1.215 4.596 1.00 0.00 N ATOM 589 CA LYS A 36 80.663 -1.489 5.375 1.00 0.00 C ATOM 590 C LYS A 36 79.628 -2.246 4.544 1.00 0.00 C ATOM 591 O LYS A 36 78.856 -3.043 5.078 1.00 0.00 O ATOM 592 CB LYS A 36 80.057 -0.193 5.913 1.00 0.00 C ATOM 593 CG LYS A 36 80.739 0.320 7.170 1.00 0.00 C ATOM 594 CD LYS A 36 80.097 1.605 7.661 1.00 0.00 C ATOM 595 CE LYS A 36 80.574 1.975 9.056 1.00 0.00 C ATOM 596 NZ LYS A 36 80.092 1.011 10.084 1.00 0.00 N ATOM 0 H LYS A 36 82.031 -0.227 4.401 1.00 0.00 H new ATOM 0 HA LYS A 36 80.952 -2.117 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 36 80.114 0.573 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 36 79.000 -0.356 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.684 -0.438 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.796 0.493 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.330 2.415 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.013 1.492 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.663 2.006 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.223 2.977 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.056 1.481 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.141 0.677 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 80.742 0.201 10.132 1.00 0.00 H new ATOM 610 N TYR A 37 79.635 -2.002 3.237 1.00 0.00 N ATOM 611 CA TYR A 37 78.707 -2.649 2.310 1.00 0.00 C ATOM 612 C TYR A 37 78.879 -4.167 2.358 1.00 0.00 C ATOM 613 O TYR A 37 77.903 -4.915 2.351 1.00 0.00 O ATOM 614 CB TYR A 37 78.963 -2.136 0.884 1.00 0.00 C ATOM 615 CG TYR A 37 77.882 -2.464 -0.130 1.00 0.00 C ATOM 616 CD1 TYR A 37 77.655 -3.770 -0.553 1.00 0.00 C ATOM 617 CD2 TYR A 37 77.096 -1.455 -0.678 1.00 0.00 C ATOM 618 CE1 TYR A 37 76.676 -4.060 -1.486 1.00 0.00 C ATOM 619 CE2 TYR A 37 76.118 -1.738 -1.610 1.00 0.00 C ATOM 620 CZ TYR A 37 75.913 -3.040 -2.012 1.00 0.00 C ATOM 621 OH TYR A 37 74.935 -3.324 -2.939 1.00 0.00 O ATOM 0 H TYR A 37 80.282 -1.352 2.790 1.00 0.00 H new ATOM 0 HA TYR A 37 77.686 -2.406 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 37 79.085 -1.054 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.907 -2.551 0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 37 78.254 -4.571 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 37 77.254 -0.432 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 37 76.510 -5.080 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 37 75.516 -0.942 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 37 74.489 -2.494 -3.208 1.00 0.00 H new ATOM 631 N VAL A 38 80.128 -4.612 2.434 1.00 0.00 N ATOM 632 CA VAL A 38 80.432 -6.037 2.388 1.00 0.00 C ATOM 633 C VAL A 38 80.400 -6.674 3.781 1.00 0.00 C ATOM 634 O VAL A 38 80.757 -7.841 3.944 1.00 0.00 O ATOM 635 CB VAL A 38 81.805 -6.299 1.724 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.847 -5.684 0.333 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.945 -5.769 2.581 1.00 0.00 C ATOM 0 H VAL A 38 80.945 -4.008 2.528 1.00 0.00 H new ATOM 0 HA VAL A 38 79.654 -6.501 1.783 1.00 0.00 H new ATOM 0 HB VAL A 38 81.934 -7.377 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.819 -5.877 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.064 -6.126 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.688 -4.608 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.895 -5.969 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.827 -4.694 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.930 -6.264 3.552 1.00 0.00 H new ATOM 647 N GLY A 39 79.959 -5.911 4.776 1.00 0.00 N ATOM 648 CA GLY A 39 79.826 -6.452 6.118 1.00 0.00 C ATOM 649 C GLY A 39 80.856 -5.899 7.084 1.00 0.00 C ATOM 650 O GLY A 39 80.860 -6.266 8.258 1.00 0.00 O ATOM 0 H GLY A 39 79.692 -4.931 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.827 -6.232 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.920 -7.537 6.077 1.00 0.00 H new ATOM 654 N GLU A 40 81.711 -5.011 6.573 1.00 0.00 N ATOM 655 CA GLU A 40 82.793 -4.367 7.337 1.00 0.00 C ATOM 656 C GLU A 40 83.577 -5.354 8.217 1.00 0.00 C ATOM 657 O GLU A 40 83.492 -5.332 9.447 1.00 0.00 O ATOM 658 CB GLU A 40 82.271 -3.161 8.147 1.00 0.00 C ATOM 659 CG GLU A 40 81.274 -3.491 9.247 1.00 0.00 C ATOM 660 CD GLU A 40 80.526 -2.275 9.738 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.123 -1.441 10.447 1.00 0.00 O ATOM 662 OE2 GLU A 40 79.330 -2.145 9.405 1.00 0.00 O ATOM 0 H GLU A 40 81.674 -4.711 5.599 1.00 0.00 H new ATOM 0 HA GLU A 40 83.506 -3.989 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 40 83.124 -2.651 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 40 81.805 -2.457 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 80.560 -4.227 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 40 81.801 -3.951 10.083 1.00 0.00 H new ATOM 669 N PRO A 41 84.353 -6.248 7.585 1.00 0.00 N ATOM 670 CA PRO A 41 85.207 -7.195 8.286 1.00 0.00 C ATOM 671 C PRO A 41 86.634 -6.670 8.451 1.00 0.00 C ATOM 672 O PRO A 41 86.946 -5.554 8.027 1.00 0.00 O ATOM 673 CB PRO A 41 85.183 -8.393 7.343 1.00 0.00 C ATOM 674 CG PRO A 41 85.086 -7.796 5.973 1.00 0.00 C ATOM 675 CD PRO A 41 84.454 -6.428 6.127 1.00 0.00 C ATOM 0 HA PRO A 41 84.869 -7.408 9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.083 -8.998 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.335 -9.045 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.073 -7.715 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.484 -8.427 5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 41 85.067 -5.651 5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.475 -6.384 5.650 1.00 0.00 H new ATOM 683 N GLU A 42 87.491 -7.473 9.065 1.00 0.00 N ATOM 684 CA GLU A 42 88.895 -7.120 9.205 1.00 0.00 C ATOM 685 C GLU A 42 89.609 -7.206 7.860 1.00 0.00 C ATOM 686 O GLU A 42 89.730 -8.283 7.272 1.00 0.00 O ATOM 687 CB GLU A 42 89.583 -8.026 10.228 1.00 0.00 C ATOM 688 CG GLU A 42 89.120 -7.786 11.655 1.00 0.00 C ATOM 689 CD GLU A 42 89.375 -6.363 12.109 1.00 0.00 C ATOM 690 OE1 GLU A 42 90.514 -6.059 12.524 1.00 0.00 O ATOM 691 OE2 GLU A 42 88.446 -5.537 12.050 1.00 0.00 O ATOM 0 H GLU A 42 87.238 -8.373 9.474 1.00 0.00 H new ATOM 0 HA GLU A 42 88.950 -6.092 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.397 -9.067 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.661 -7.871 10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.055 -8.004 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 42 89.635 -8.476 12.323 1.00 0.00 H new ATOM 698 N LEU A 43 90.064 -6.063 7.375 1.00 0.00 N ATOM 699 CA LEU A 43 90.773 -5.991 6.108 1.00 0.00 C ATOM 700 C LEU A 43 92.217 -6.462 6.272 1.00 0.00 C ATOM 701 O LEU A 43 92.734 -6.540 7.390 1.00 0.00 O ATOM 702 CB LEU A 43 90.752 -4.560 5.580 1.00 0.00 C ATOM 703 CG LEU A 43 89.365 -3.971 5.314 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.471 -2.481 5.041 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.701 -4.675 4.141 1.00 0.00 C ATOM 0 H LEU A 43 89.954 -5.164 7.845 1.00 0.00 H new ATOM 0 HA LEU A 43 90.273 -6.645 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.267 -3.920 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.325 -4.526 4.653 1.00 0.00 H new ATOM 0 HG LEU A 43 88.750 -4.123 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.477 -2.074 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.910 -1.983 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.102 -2.315 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.716 -4.242 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.314 -4.552 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.597 -5.737 4.366 1.00 0.00 H new ATOM 717 N LYS A 44 92.867 -6.750 5.153 1.00 0.00 N ATOM 718 CA LYS A 44 94.223 -7.278 5.161 1.00 0.00 C ATOM 719 C LYS A 44 95.207 -6.201 4.713 1.00 0.00 C ATOM 720 O LYS A 44 95.074 -5.642 3.627 1.00 0.00 O ATOM 721 CB LYS A 44 94.300 -8.492 4.232 1.00 0.00 C ATOM 722 CG LYS A 44 95.584 -9.292 4.356 1.00 0.00 C ATOM 723 CD LYS A 44 95.557 -10.511 3.445 1.00 0.00 C ATOM 724 CE LYS A 44 96.745 -11.428 3.690 1.00 0.00 C ATOM 725 NZ LYS A 44 96.775 -11.930 5.089 1.00 0.00 N ATOM 0 H LYS A 44 92.472 -6.625 4.221 1.00 0.00 H new ATOM 0 HA LYS A 44 94.487 -7.586 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.455 -9.148 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 94.194 -8.154 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 44 96.436 -8.661 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 44 95.721 -9.609 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.632 -11.064 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.557 -10.187 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 44 96.701 -12.272 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 44 97.669 -10.891 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 97.392 -12.766 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 97.142 -11.186 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 95.813 -12.189 5.385 1.00 0.00 H new ATOM 739 N THR A 45 96.182 -5.902 5.553 1.00 0.00 N ATOM 740 CA THR A 45 97.144 -4.853 5.252 1.00 0.00 C ATOM 741 C THR A 45 98.476 -5.433 4.787 1.00 0.00 C ATOM 742 O THR A 45 98.864 -6.524 5.205 1.00 0.00 O ATOM 743 CB THR A 45 97.381 -3.951 6.478 1.00 0.00 C ATOM 744 OG1 THR A 45 97.744 -4.742 7.617 1.00 0.00 O ATOM 745 CG2 THR A 45 96.140 -3.138 6.805 1.00 0.00 C ATOM 0 H THR A 45 96.330 -6.369 6.448 1.00 0.00 H new ATOM 0 HA THR A 45 96.721 -4.256 4.444 1.00 0.00 H new ATOM 0 HB THR A 45 98.195 -3.268 6.235 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.384 -4.330 8.430 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.335 -2.510 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.883 -2.508 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.311 -3.811 7.022 1.00 0.00 H new ATOM 753 N TYR A 46 99.167 -4.706 3.918 1.00 0.00 N ATOM 754 CA TYR A 46 100.487 -5.114 3.459 1.00 0.00 C ATOM 755 C TYR A 46 101.462 -3.949 3.580 1.00 0.00 C ATOM 756 O TYR A 46 101.081 -2.789 3.403 1.00 0.00 O ATOM 757 CB TYR A 46 100.441 -5.631 2.010 1.00 0.00 C ATOM 758 CG TYR A 46 100.156 -4.572 0.961 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.855 -4.202 0.650 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.192 -3.952 0.271 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.594 -3.249 -0.315 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.940 -2.996 -0.694 1.00 0.00 C ATOM 763 CZ TYR A 46 99.639 -2.648 -0.985 1.00 0.00 C ATOM 764 OH TYR A 46 99.382 -1.695 -1.943 1.00 0.00 O ATOM 0 H TYR A 46 98.834 -3.829 3.517 1.00 0.00 H new ATOM 0 HA TYR A 46 100.830 -5.933 4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.396 -6.103 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.677 -6.405 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.032 -4.668 1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.213 -4.223 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.575 -2.975 -0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.758 -2.524 -1.217 1.00 0.00 H new ATOM 0 HH TYR A 46 100.228 -1.371 -2.318 1.00 0.00 H new ATOM 774 N VAL A 47 102.709 -4.255 3.898 1.00 0.00 N ATOM 775 CA VAL A 47 103.726 -3.227 4.061 1.00 0.00 C ATOM 776 C VAL A 47 104.664 -3.207 2.861 1.00 0.00 C ATOM 777 O VAL A 47 105.401 -4.162 2.621 1.00 0.00 O ATOM 778 CB VAL A 47 104.553 -3.442 5.348 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.583 -2.334 5.520 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.644 -3.523 6.563 1.00 0.00 C ATOM 0 H VAL A 47 103.042 -5.207 4.049 1.00 0.00 H new ATOM 0 HA VAL A 47 103.207 -2.272 4.138 1.00 0.00 H new ATOM 0 HB VAL A 47 105.085 -4.389 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.154 -2.506 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.259 -2.330 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.075 -1.372 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.246 -3.675 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.080 -2.595 6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.953 -4.357 6.445 1.00 0.00 H new ATOM 790 N ILE A 48 104.622 -2.122 2.102 1.00 0.00 N ATOM 791 CA ILE A 48 105.509 -1.962 0.965 1.00 0.00 C ATOM 792 C ILE A 48 106.530 -0.857 1.237 1.00 0.00 C ATOM 793 O ILE A 48 106.182 0.318 1.380 1.00 0.00 O ATOM 794 CB ILE A 48 104.726 -1.680 -0.346 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.696 -1.431 -1.507 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.764 -0.510 -0.182 1.00 0.00 C ATOM 797 CD1 ILE A 48 105.008 -1.246 -2.844 1.00 0.00 C ATOM 0 H ILE A 48 103.983 -1.342 2.255 1.00 0.00 H new ATOM 0 HA ILE A 48 106.040 -2.904 0.826 1.00 0.00 H new ATOM 0 HB ILE A 48 104.130 -2.563 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 48 106.291 -0.544 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 48 106.388 -2.270 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 48 103.233 -0.341 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 48 103.046 -0.737 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.324 0.387 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.756 -1.074 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.435 -2.141 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 48 104.337 -0.389 -2.792 1.00 0.00 H new ATOM 809 N GLU A 49 107.786 -1.253 1.355 1.00 0.00 N ATOM 810 CA GLU A 49 108.864 -0.308 1.595 1.00 0.00 C ATOM 811 C GLU A 49 109.227 0.416 0.306 1.00 0.00 C ATOM 812 O GLU A 49 109.819 -0.168 -0.602 1.00 0.00 O ATOM 813 CB GLU A 49 110.088 -1.027 2.176 1.00 0.00 C ATOM 814 CG GLU A 49 109.849 -1.597 3.567 1.00 0.00 C ATOM 815 CD GLU A 49 111.043 -2.355 4.118 1.00 0.00 C ATOM 816 OE1 GLU A 49 112.118 -1.742 4.298 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.903 -3.567 4.395 1.00 0.00 O ATOM 0 H GLU A 49 108.085 -2.226 1.288 1.00 0.00 H new ATOM 0 HA GLU A 49 108.526 0.431 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 49 110.378 -1.835 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.925 -0.330 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 109.598 -0.783 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.987 -2.263 3.536 1.00 0.00 H new ATOM 1177 N LYS A 72 108.221 2.934 4.792 1.00 0.00 N ATOM 1178 CA LYS A 72 107.373 1.755 4.844 1.00 0.00 C ATOM 1179 C LYS A 72 105.909 2.153 4.761 1.00 0.00 C ATOM 1180 O LYS A 72 105.313 2.590 5.748 1.00 0.00 O ATOM 1181 CB LYS A 72 107.633 0.954 6.121 1.00 0.00 C ATOM 1182 CG LYS A 72 109.082 0.532 6.279 1.00 0.00 C ATOM 1183 CD LYS A 72 109.240 -0.535 7.345 1.00 0.00 C ATOM 1184 CE LYS A 72 110.684 -0.986 7.458 1.00 0.00 C ATOM 1185 NZ LYS A 72 110.814 -2.242 8.238 1.00 0.00 N ATOM 0 HA LYS A 72 107.614 1.124 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.340 1.553 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.001 0.066 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.457 0.155 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.688 1.400 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 72 108.901 -0.147 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.607 -1.389 7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.097 -1.134 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.273 -0.201 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 111.816 -2.515 8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 110.444 -2.094 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 110.273 -2.998 7.771 1.00 0.00 H new ATOM 1199 N ILE A 73 105.341 2.022 3.576 1.00 0.00 N ATOM 1200 CA ILE A 73 103.952 2.376 3.359 1.00 0.00 C ATOM 1201 C ILE A 73 103.066 1.154 3.551 1.00 0.00 C ATOM 1202 O ILE A 73 103.164 0.178 2.809 1.00 0.00 O ATOM 1203 CB ILE A 73 103.728 2.956 1.946 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.685 4.126 1.694 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.281 3.407 1.784 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.601 4.691 0.293 1.00 0.00 C ATOM 0 H ILE A 73 105.822 1.672 2.748 1.00 0.00 H new ATOM 0 HA ILE A 73 103.689 3.142 4.088 1.00 0.00 H new ATOM 0 HB ILE A 73 103.933 2.177 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.470 4.920 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.706 3.795 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 73 102.137 3.814 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.616 2.556 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.054 4.175 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.307 5.515 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.845 3.912 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.590 5.054 0.107 1.00 0.00 H new ATOM 1218 N LYS A 74 102.220 1.201 4.561 1.00 0.00 N ATOM 1219 CA LYS A 74 101.314 0.104 4.834 1.00 0.00 C ATOM 1220 C LYS A 74 99.940 0.421 4.262 1.00 0.00 C ATOM 1221 O LYS A 74 99.287 1.371 4.689 1.00 0.00 O ATOM 1222 CB LYS A 74 101.232 -0.145 6.343 1.00 0.00 C ATOM 1223 CG LYS A 74 100.552 -1.450 6.720 1.00 0.00 C ATOM 1224 CD LYS A 74 100.627 -1.693 8.218 1.00 0.00 C ATOM 1225 CE LYS A 74 100.104 -3.068 8.592 1.00 0.00 C ATOM 1226 NZ LYS A 74 100.165 -3.303 10.057 1.00 0.00 N ATOM 0 H LYS A 74 102.141 1.987 5.206 1.00 0.00 H new ATOM 0 HA LYS A 74 101.688 -0.803 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.241 -0.141 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.693 0.681 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.509 -1.425 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 74 101.025 -2.277 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.660 -1.594 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 74 100.049 -0.930 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 74 99.074 -3.170 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.688 -3.831 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.799 -4.253 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 101.151 -3.231 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.587 -2.590 10.547 1.00 0.00 H new ATOM 1240 N LYS A 75 99.522 -0.356 3.276 1.00 0.00 N ATOM 1241 CA LYS A 75 98.228 -0.160 2.638 1.00 0.00 C ATOM 1242 C LYS A 75 97.306 -1.323 2.973 1.00 0.00 C ATOM 1243 O LYS A 75 97.757 -2.348 3.485 1.00 0.00 O ATOM 1244 CB LYS A 75 98.395 -0.007 1.125 1.00 0.00 C ATOM 1245 CG LYS A 75 99.186 1.231 0.730 1.00 0.00 C ATOM 1246 CD LYS A 75 99.403 1.304 -0.772 1.00 0.00 C ATOM 1247 CE LYS A 75 100.252 2.503 -1.158 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.558 3.792 -0.903 1.00 0.00 N ATOM 0 H LYS A 75 100.063 -1.133 2.897 1.00 0.00 H new ATOM 0 HA LYS A 75 97.778 0.757 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.896 -0.891 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.410 0.036 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.657 2.123 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.151 1.223 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.887 0.390 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.439 1.363 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 75 101.186 2.479 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.512 2.436 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.148 4.577 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 98.647 3.801 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.393 3.901 0.118 1.00 0.00 H new ATOM 1262 N VAL A 76 96.024 -1.166 2.692 1.00 0.00 N ATOM 1263 CA VAL A 76 95.036 -2.144 3.109 1.00 0.00 C ATOM 1264 C VAL A 76 94.208 -2.629 1.921 1.00 0.00 C ATOM 1265 O VAL A 76 93.922 -1.866 1.002 1.00 0.00 O ATOM 1266 CB VAL A 76 94.115 -1.548 4.201 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.286 -0.390 3.663 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.222 -2.617 4.794 1.00 0.00 C ATOM 0 H VAL A 76 95.644 -0.372 2.178 1.00 0.00 H new ATOM 0 HA VAL A 76 95.564 -3.002 3.525 1.00 0.00 H new ATOM 0 HB VAL A 76 94.754 -1.156 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.652 0.003 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.950 0.397 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.662 -0.740 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.584 -2.175 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.601 -3.049 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.837 -3.398 5.241 1.00 0.00 H new ATOM 1278 N TYR A 77 93.854 -3.907 1.923 1.00 0.00 N ATOM 1279 CA TYR A 77 93.039 -4.466 0.857 1.00 0.00 C ATOM 1280 C TYR A 77 92.273 -5.689 1.342 1.00 0.00 C ATOM 1281 O TYR A 77 92.459 -6.146 2.470 1.00 0.00 O ATOM 1282 CB TYR A 77 93.915 -4.842 -0.346 1.00 0.00 C ATOM 1283 CG TYR A 77 94.789 -6.062 -0.145 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.988 -5.980 0.551 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.416 -7.295 -0.664 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.789 -7.091 0.726 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.212 -8.410 -0.495 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.397 -8.303 0.200 1.00 0.00 C ATOM 1289 OH TYR A 77 97.194 -9.412 0.366 1.00 0.00 O ATOM 0 H TYR A 77 94.118 -4.573 2.649 1.00 0.00 H new ATOM 0 HA TYR A 77 92.320 -3.706 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.269 -5.014 -1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.553 -3.993 -0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.299 -5.031 0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.488 -7.383 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.717 -7.011 1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.908 -9.361 -0.905 1.00 0.00 H new ATOM 0 HH TYR A 77 96.773 -10.185 -0.064 1.00 0.00 H new ATOM 1299 N PHE A 78 91.402 -6.203 0.491 1.00 0.00 N ATOM 1300 CA PHE A 78 90.750 -7.476 0.738 1.00 0.00 C ATOM 1301 C PHE A 78 90.553 -8.196 -0.586 1.00 0.00 C ATOM 1302 O PHE A 78 90.447 -7.555 -1.636 1.00 0.00 O ATOM 1303 CB PHE A 78 89.412 -7.298 1.475 1.00 0.00 C ATOM 1304 CG PHE A 78 88.325 -6.637 0.671 1.00 0.00 C ATOM 1305 CD1 PHE A 78 88.228 -5.257 0.610 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.388 -7.400 -0.009 1.00 0.00 C ATOM 1307 CE1 PHE A 78 87.221 -4.651 -0.117 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.379 -6.799 -0.736 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.295 -5.423 -0.788 1.00 0.00 C ATOM 0 H PHE A 78 91.129 -5.754 -0.383 1.00 0.00 H new ATOM 0 HA PHE A 78 91.387 -8.076 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 78 89.059 -8.278 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.586 -6.709 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.947 -4.647 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.448 -8.478 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.159 -3.574 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.657 -7.405 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.505 -4.951 -1.353 1.00 0.00 H new ATOM 1319 N GLU A 79 90.534 -9.515 -0.545 1.00 0.00 N ATOM 1320 CA GLU A 79 90.421 -10.303 -1.759 1.00 0.00 C ATOM 1321 C GLU A 79 88.997 -10.816 -1.923 1.00 0.00 C ATOM 1322 O GLU A 79 88.422 -11.391 -0.997 1.00 0.00 O ATOM 1323 CB GLU A 79 91.405 -11.474 -1.726 1.00 0.00 C ATOM 1324 CG GLU A 79 92.823 -11.070 -1.347 1.00 0.00 C ATOM 1325 CD GLU A 79 93.804 -12.219 -1.445 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.436 -13.359 -1.083 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.946 -11.993 -1.905 1.00 0.00 O ATOM 0 H GLU A 79 90.595 -10.063 0.313 1.00 0.00 H new ATOM 0 HA GLU A 79 90.664 -9.668 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 79 91.046 -12.219 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.422 -11.951 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 79 93.152 -10.260 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.826 -10.681 -0.329 1.00 0.00 H new ATOM 1334 N THR A 80 88.426 -10.592 -3.093 1.00 0.00 N ATOM 1335 CA THR A 80 87.078 -11.041 -3.383 1.00 0.00 C ATOM 1336 C THR A 80 87.068 -12.499 -3.845 1.00 0.00 C ATOM 1337 O THR A 80 88.122 -13.106 -4.053 1.00 0.00 O ATOM 1338 CB THR A 80 86.426 -10.143 -4.447 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.397 -9.787 -5.437 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.851 -8.885 -3.814 1.00 0.00 C ATOM 0 H THR A 80 88.879 -10.098 -3.862 1.00 0.00 H new ATOM 0 HA THR A 80 86.499 -10.972 -2.462 1.00 0.00 H new ATOM 0 HB THR A 80 85.612 -10.696 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 80 87.178 -10.229 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.395 -8.265 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.097 -9.161 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.649 -8.327 -3.325 1.00 0.00 H new ATOM 1348 N LEU A 81 85.872 -13.056 -4.012 1.00 0.00 N ATOM 1349 CA LEU A 81 85.711 -14.463 -4.371 1.00 0.00 C ATOM 1350 C LEU A 81 86.200 -14.734 -5.793 1.00 0.00 C ATOM 1351 O LEU A 81 86.464 -15.874 -6.166 1.00 0.00 O ATOM 1352 CB LEU A 81 84.242 -14.893 -4.236 1.00 0.00 C ATOM 1353 CG LEU A 81 83.693 -14.985 -2.803 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.591 -13.613 -2.151 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.334 -15.666 -2.806 1.00 0.00 C ATOM 0 H LEU A 81 84.993 -12.550 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 81 86.319 -15.048 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.626 -14.189 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.124 -15.867 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 81 84.393 -15.580 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.199 -13.719 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.579 -13.155 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.922 -12.981 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.955 -15.726 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.640 -15.090 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.432 -16.671 -3.216 1.00 0.00 H new ATOM 1367 N ASP A 82 86.330 -13.674 -6.575 1.00 0.00 N ATOM 1368 CA ASP A 82 86.770 -13.781 -7.962 1.00 0.00 C ATOM 1369 C ASP A 82 88.274 -13.541 -8.085 1.00 0.00 C ATOM 1370 O ASP A 82 88.789 -13.322 -9.185 1.00 0.00 O ATOM 1371 CB ASP A 82 85.994 -12.794 -8.839 1.00 0.00 C ATOM 1372 CG ASP A 82 85.777 -11.460 -8.159 1.00 0.00 C ATOM 1373 OD1 ASP A 82 86.754 -10.880 -7.654 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.616 -11.005 -8.089 1.00 0.00 O ATOM 0 H ASP A 82 86.136 -12.720 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 82 86.566 -14.795 -8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 82 86.536 -12.639 -9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 82 85.028 -13.227 -9.100 1.00 0.00 H new ATOM 1379 N ASN A 83 88.965 -13.591 -6.942 1.00 0.00 N ATOM 1380 CA ASN A 83 90.433 -13.521 -6.883 1.00 0.00 C ATOM 1381 C ASN A 83 90.956 -12.134 -7.232 1.00 0.00 C ATOM 1382 O ASN A 83 92.110 -11.980 -7.640 1.00 0.00 O ATOM 1383 CB ASN A 83 91.075 -14.558 -7.814 1.00 0.00 C ATOM 1384 CG ASN A 83 90.766 -15.986 -7.416 1.00 0.00 C ATOM 1385 OD1 ASN A 83 90.563 -16.291 -6.239 1.00 0.00 O ATOM 1386 ND2 ASN A 83 90.736 -16.873 -8.398 1.00 0.00 N ATOM 0 H ASN A 83 88.523 -13.681 -6.027 1.00 0.00 H new ATOM 0 HA ASN A 83 90.711 -13.741 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 83 90.727 -14.388 -8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.155 -14.414 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 83 90.539 -17.853 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 83 90.910 -16.577 -9.358 1.00 0.00 H new ATOM 1393 N VAL A 84 90.122 -11.122 -7.059 1.00 0.00 N ATOM 1394 CA VAL A 84 90.532 -9.754 -7.325 1.00 0.00 C ATOM 1395 C VAL A 84 90.889 -9.036 -6.020 1.00 0.00 C ATOM 1396 O VAL A 84 90.252 -9.246 -4.986 1.00 0.00 O ATOM 1397 CB VAL A 84 89.432 -8.977 -8.084 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.867 -7.550 -8.367 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.077 -9.685 -9.383 1.00 0.00 C ATOM 0 H VAL A 84 89.160 -11.222 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 84 91.418 -9.789 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 84 88.547 -8.944 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.074 -7.027 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 84 90.069 -7.038 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.771 -7.559 -8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.301 -9.123 -9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.963 -9.751 -10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.713 -10.688 -9.163 1.00 0.00 H new ATOM 1409 N ARG A 85 91.922 -8.207 -6.075 1.00 0.00 N ATOM 1410 CA ARG A 85 92.398 -7.481 -4.904 1.00 0.00 C ATOM 1411 C ARG A 85 91.851 -6.061 -4.876 1.00 0.00 C ATOM 1412 O ARG A 85 92.138 -5.262 -5.766 1.00 0.00 O ATOM 1413 CB ARG A 85 93.925 -7.440 -4.902 1.00 0.00 C ATOM 1414 CG ARG A 85 94.579 -8.701 -4.364 1.00 0.00 C ATOM 1415 CD ARG A 85 96.063 -8.745 -4.697 1.00 0.00 C ATOM 1416 NE ARG A 85 96.680 -7.418 -4.666 1.00 0.00 N ATOM 1417 CZ ARG A 85 97.700 -7.080 -3.884 1.00 0.00 C ATOM 1418 NH1 ARG A 85 98.187 -7.942 -2.998 1.00 0.00 N ATOM 1419 NH2 ARG A 85 98.230 -5.866 -3.985 1.00 0.00 N ATOM 0 H ARG A 85 92.451 -8.019 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 85 92.043 -8.004 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.274 -7.269 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 85 94.254 -6.590 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 85 94.446 -8.748 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 85 94.084 -9.577 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.573 -9.397 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 85 96.198 -9.183 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 85 96.301 -6.703 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.778 -8.872 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.970 -7.673 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.854 -5.200 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 85 99.013 -5.600 -3.388 1.00 0.00 H new ATOM 1433 N VAL A 86 91.065 -5.752 -3.856 1.00 0.00 N ATOM 1434 CA VAL A 86 90.539 -4.406 -3.679 1.00 0.00 C ATOM 1435 C VAL A 86 91.416 -3.636 -2.696 1.00 0.00 C ATOM 1436 O VAL A 86 91.267 -3.777 -1.483 1.00 0.00 O ATOM 1437 CB VAL A 86 89.088 -4.424 -3.160 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.491 -3.026 -3.186 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.236 -5.388 -3.971 1.00 0.00 C ATOM 0 H VAL A 86 90.777 -6.416 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 86 90.545 -3.917 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 86 89.101 -4.770 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.466 -3.061 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.083 -2.366 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.495 -2.648 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.216 -5.384 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.231 -5.078 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.649 -6.394 -3.892 1.00 0.00 H new ATOM 1449 N VAL A 87 92.336 -2.843 -3.228 1.00 0.00 N ATOM 1450 CA VAL A 87 93.343 -2.166 -2.418 1.00 0.00 C ATOM 1451 C VAL A 87 93.016 -0.684 -2.234 1.00 0.00 C ATOM 1452 O VAL A 87 92.476 -0.034 -3.134 1.00 0.00 O ATOM 1453 CB VAL A 87 94.744 -2.295 -3.066 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.824 -1.724 -2.162 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.046 -3.745 -3.414 1.00 0.00 C ATOM 0 H VAL A 87 92.407 -2.651 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 87 93.343 -2.649 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 87 94.739 -1.714 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.796 -1.829 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.623 -0.669 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.829 -2.264 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.035 -3.812 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 87 95.021 -4.350 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.299 -4.114 -4.117 1.00 0.00 H new ATOM 1465 N THR A 88 93.335 -0.164 -1.057 1.00 0.00 N ATOM 1466 CA THR A 88 93.179 1.246 -0.742 1.00 0.00 C ATOM 1467 C THR A 88 94.220 1.624 0.318 1.00 0.00 C ATOM 1468 O THR A 88 94.764 0.747 0.991 1.00 0.00 O ATOM 1469 CB THR A 88 91.745 1.539 -0.238 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.796 1.080 -1.209 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.524 3.025 0.010 1.00 0.00 C ATOM 0 H THR A 88 93.713 -0.716 -0.287 1.00 0.00 H new ATOM 0 HA THR A 88 93.336 1.845 -1.639 1.00 0.00 H new ATOM 0 HB THR A 88 91.611 1.014 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.934 0.917 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.505 3.188 0.363 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.229 3.377 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.679 3.576 -0.918 1.00 0.00 H new ATOM 1479 N ASP A 89 94.537 2.903 0.453 1.00 0.00 N ATOM 1480 CA ASP A 89 95.572 3.311 1.395 1.00 0.00 C ATOM 1481 C ASP A 89 95.077 3.197 2.834 1.00 0.00 C ATOM 1482 O ASP A 89 93.991 3.666 3.169 1.00 0.00 O ATOM 1483 CB ASP A 89 96.039 4.736 1.120 1.00 0.00 C ATOM 1484 CG ASP A 89 97.358 5.028 1.803 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.370 5.212 3.034 1.00 0.00 O ATOM 1486 OD2 ASP A 89 98.393 5.040 1.109 1.00 0.00 O ATOM 0 H ASP A 89 94.102 3.665 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 89 96.418 2.637 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.144 4.885 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.284 5.441 1.468 1.00 0.00 H new ATOM 1491 N TYR A 90 95.893 2.578 3.677 1.00 0.00 N ATOM 1492 CA TYR A 90 95.536 2.326 5.070 1.00 0.00 C ATOM 1493 C TYR A 90 95.595 3.604 5.899 1.00 0.00 C ATOM 1494 O TYR A 90 94.836 3.765 6.853 1.00 0.00 O ATOM 1495 CB TYR A 90 96.469 1.256 5.643 1.00 0.00 C ATOM 1496 CG TYR A 90 96.276 0.953 7.113 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.201 0.195 7.552 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.185 1.414 8.057 1.00 0.00 C ATOM 1499 CE1 TYR A 90 95.035 -0.097 8.893 1.00 0.00 C ATOM 1500 CE2 TYR A 90 97.025 1.127 9.398 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.950 0.372 9.811 1.00 0.00 C ATOM 1502 OH TYR A 90 95.792 0.083 11.147 1.00 0.00 O ATOM 0 H TYR A 90 96.818 2.237 3.417 1.00 0.00 H new ATOM 0 HA TYR A 90 94.508 1.967 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.330 0.335 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.500 1.574 5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.482 -0.173 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 90 98.030 2.006 7.737 1.00 0.00 H new ATOM 0 HE1 TYR A 90 94.193 -0.689 9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.740 1.493 10.120 1.00 0.00 H new ATOM 0 HH TYR A 90 96.524 0.488 11.658 1.00 0.00 H new ATOM 1512 N SER A 91 96.475 4.518 5.521 1.00 0.00 N ATOM 1513 CA SER A 91 96.613 5.776 6.236 1.00 0.00 C ATOM 1514 C SER A 91 95.370 6.624 6.003 1.00 0.00 C ATOM 1515 O SER A 91 94.800 7.190 6.936 1.00 0.00 O ATOM 1516 CB SER A 91 97.857 6.524 5.751 1.00 0.00 C ATOM 1517 OG SER A 91 98.813 5.621 5.218 1.00 0.00 O ATOM 0 H SER A 91 97.103 4.412 4.724 1.00 0.00 H new ATOM 0 HA SER A 91 96.722 5.576 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.575 7.253 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.298 7.081 6.578 1.00 0.00 H new ATOM 0 HG SER A 91 98.653 5.503 4.258 1.00 0.00 H new ATOM 1523 N GLU A 92 94.941 6.672 4.747 1.00 0.00 N ATOM 1524 CA GLU A 92 93.759 7.426 4.364 1.00 0.00 C ATOM 1525 C GLU A 92 92.500 6.745 4.902 1.00 0.00 C ATOM 1526 O GLU A 92 91.532 7.405 5.276 1.00 0.00 O ATOM 1527 CB GLU A 92 93.685 7.547 2.841 1.00 0.00 C ATOM 1528 CG GLU A 92 92.755 8.649 2.364 1.00 0.00 C ATOM 1529 CD GLU A 92 93.291 10.035 2.666 1.00 0.00 C ATOM 1530 OE1 GLU A 92 93.197 10.479 3.829 1.00 0.00 O ATOM 1531 OE2 GLU A 92 93.811 10.686 1.737 1.00 0.00 O ATOM 0 H GLU A 92 95.400 6.192 3.973 1.00 0.00 H new ATOM 0 HA GLU A 92 93.825 8.426 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.686 7.733 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.352 6.596 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 92 92.600 8.549 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 92 91.781 8.529 2.839 1.00 0.00 H new ATOM 1538 N PHE A 93 92.526 5.417 4.939 1.00 0.00 N ATOM 1539 CA PHE A 93 91.424 4.642 5.496 1.00 0.00 C ATOM 1540 C PHE A 93 91.244 4.965 6.977 1.00 0.00 C ATOM 1541 O PHE A 93 90.148 5.303 7.422 1.00 0.00 O ATOM 1542 CB PHE A 93 91.681 3.142 5.303 1.00 0.00 C ATOM 1543 CG PHE A 93 90.587 2.257 5.833 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.365 2.179 5.185 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.783 1.503 6.980 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.360 1.361 5.668 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.783 0.685 7.467 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.568 0.616 6.812 1.00 0.00 C ATOM 0 H PHE A 93 93.301 4.854 4.589 1.00 0.00 H new ATOM 0 HA PHE A 93 90.507 4.909 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.813 2.941 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.617 2.879 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.195 2.763 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.729 1.556 7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.413 1.305 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.950 0.100 8.359 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.783 -0.019 7.194 1.00 0.00 H new ATOM 1558 N GLN A 94 92.337 4.882 7.729 1.00 0.00 N ATOM 1559 CA GLN A 94 92.316 5.181 9.157 1.00 0.00 C ATOM 1560 C GLN A 94 91.972 6.647 9.399 1.00 0.00 C ATOM 1561 O GLN A 94 91.378 6.998 10.421 1.00 0.00 O ATOM 1562 CB GLN A 94 93.664 4.835 9.791 1.00 0.00 C ATOM 1563 CG GLN A 94 93.903 3.341 9.929 1.00 0.00 C ATOM 1564 CD GLN A 94 92.810 2.639 10.715 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.180 3.225 11.593 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.582 1.371 10.411 1.00 0.00 N ATOM 0 H GLN A 94 93.252 4.609 7.371 1.00 0.00 H new ATOM 0 HA GLN A 94 91.544 4.570 9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.462 5.268 9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.722 5.297 10.777 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.973 2.896 8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.861 3.175 10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 94 93.125 0.917 9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 94 91.864 0.848 10.912 1.00 0.00 H new ATOM 1575 N LYS A 95 92.346 7.491 8.444 1.00 0.00 N ATOM 1576 CA LYS A 95 91.993 8.905 8.467 1.00 0.00 C ATOM 1577 C LYS A 95 90.478 9.072 8.572 1.00 0.00 C ATOM 1578 O LYS A 95 89.986 9.842 9.394 1.00 0.00 O ATOM 1579 CB LYS A 95 92.509 9.578 7.189 1.00 0.00 C ATOM 1580 CG LYS A 95 92.185 11.059 7.071 1.00 0.00 C ATOM 1581 CD LYS A 95 93.059 11.906 7.979 1.00 0.00 C ATOM 1582 CE LYS A 95 92.898 13.386 7.672 1.00 0.00 C ATOM 1583 NZ LYS A 95 93.230 13.695 6.255 1.00 0.00 N ATOM 0 H LYS A 95 92.901 7.215 7.634 1.00 0.00 H new ATOM 0 HA LYS A 95 92.453 9.375 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.591 9.452 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.089 9.059 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 95 92.319 11.378 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 95 91.137 11.222 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 95 92.797 11.717 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 95 94.103 11.618 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 95 91.872 13.691 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 95 93.543 13.966 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 93.473 14.702 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.040 13.116 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 92.410 13.483 5.652 1.00 0.00 H new ATOM 1597 N ILE A 96 89.751 8.325 7.748 1.00 0.00 N ATOM 1598 CA ILE A 96 88.292 8.388 7.716 1.00 0.00 C ATOM 1599 C ILE A 96 87.688 7.812 8.996 1.00 0.00 C ATOM 1600 O ILE A 96 86.712 8.344 9.532 1.00 0.00 O ATOM 1601 CB ILE A 96 87.734 7.618 6.503 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.386 8.121 5.216 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.220 7.770 6.425 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.096 7.252 4.013 1.00 0.00 C ATOM 0 H ILE A 96 90.153 7.661 7.086 1.00 0.00 H new ATOM 0 HA ILE A 96 88.016 9.439 7.633 1.00 0.00 H new ATOM 0 HB ILE A 96 87.967 6.560 6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.039 9.134 5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.465 8.177 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.843 7.220 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.767 7.374 7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.965 8.825 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.590 7.669 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.468 6.244 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.020 7.216 3.841 1.00 0.00 H new ATOM 1616 N LEU A 97 88.279 6.727 9.486 1.00 0.00 N ATOM 1617 CA LEU A 97 87.819 6.088 10.716 1.00 0.00 C ATOM 1618 C LEU A 97 87.868 7.066 11.885 1.00 0.00 C ATOM 1619 O LEU A 97 86.921 7.161 12.671 1.00 0.00 O ATOM 1620 CB LEU A 97 88.667 4.850 11.035 1.00 0.00 C ATOM 1621 CG LEU A 97 88.168 3.527 10.443 1.00 0.00 C ATOM 1622 CD1 LEU A 97 86.846 3.123 11.074 1.00 0.00 C ATOM 1623 CD2 LEU A 97 88.021 3.620 8.932 1.00 0.00 C ATOM 0 H LEU A 97 89.080 6.270 9.049 1.00 0.00 H new ATOM 0 HA LEU A 97 86.786 5.776 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.681 5.026 10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.725 4.742 12.118 1.00 0.00 H new ATOM 0 HG LEU A 97 88.912 2.763 10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 97 86.509 2.182 10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 97 86.978 3.001 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 97 86.102 3.897 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.666 2.666 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.305 4.403 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 97 88.987 3.857 8.486 1.00 0.00 H new ATOM 1635 N LYS A 98 88.973 7.793 11.989 1.00 0.00 N ATOM 1636 CA LYS A 98 89.143 8.790 13.039 1.00 0.00 C ATOM 1637 C LYS A 98 88.299 10.030 12.742 1.00 0.00 C ATOM 1638 O LYS A 98 87.829 10.712 13.654 1.00 0.00 O ATOM 1639 CB LYS A 98 90.617 9.184 13.160 1.00 0.00 C ATOM 1640 CG LYS A 98 90.896 10.148 14.302 1.00 0.00 C ATOM 1641 CD LYS A 98 92.324 10.669 14.272 1.00 0.00 C ATOM 1642 CE LYS A 98 92.595 11.493 13.023 1.00 0.00 C ATOM 1643 NZ LYS A 98 93.916 12.170 13.085 1.00 0.00 N ATOM 0 H LYS A 98 89.769 7.710 11.356 1.00 0.00 H new ATOM 0 HA LYS A 98 88.811 8.356 13.982 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.215 8.284 13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.941 9.639 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 98 90.203 10.987 14.245 1.00 0.00 H new ATOM 0 HG3 LYS A 98 90.713 9.647 15.252 1.00 0.00 H new ATOM 0 HD2 LYS A 98 92.508 11.278 15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.019 9.830 14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.559 10.847 12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 98 91.809 12.239 12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 94.064 12.722 12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 93.942 12.806 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 94.668 11.457 13.175 1.00 0.00 H new ATOM 1657 N LYS A 99 88.105 10.295 11.455 1.00 0.00 N ATOM 1658 CA LYS A 99 87.380 11.474 10.989 1.00 0.00 C ATOM 1659 C LYS A 99 85.949 11.509 11.519 1.00 0.00 C ATOM 1660 O LYS A 99 85.474 12.550 11.974 1.00 0.00 O ATOM 1661 CB LYS A 99 87.378 11.498 9.457 1.00 0.00 C ATOM 1662 CG LYS A 99 86.637 12.674 8.847 1.00 0.00 C ATOM 1663 CD LYS A 99 86.695 12.632 7.330 1.00 0.00 C ATOM 1664 CE LYS A 99 85.923 13.783 6.712 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.997 13.769 5.227 1.00 0.00 N ATOM 0 H LYS A 99 88.447 9.697 10.702 1.00 0.00 H new ATOM 0 HA LYS A 99 87.889 12.358 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.410 11.513 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.930 10.574 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.597 12.662 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 99 87.073 13.607 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.734 12.672 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.286 11.686 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 99 84.880 13.729 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 99 86.319 14.727 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 85.402 14.530 4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 86.982 13.915 4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 85.659 12.852 4.871 1.00 0.00 H new ATOM 1679 N ARG A 100 85.255 10.380 11.454 1.00 0.00 N ATOM 1680 CA ARG A 100 83.875 10.328 11.920 1.00 0.00 C ATOM 1681 C ARG A 100 83.777 9.623 13.273 1.00 0.00 C ATOM 1682 O ARG A 100 82.722 9.615 13.908 1.00 0.00 O ATOM 1683 CB ARG A 100 82.980 9.640 10.881 1.00 0.00 C ATOM 1684 CG ARG A 100 81.494 9.820 11.157 1.00 0.00 C ATOM 1685 CD ARG A 100 80.629 9.321 10.009 1.00 0.00 C ATOM 1686 NE ARG A 100 80.758 7.880 9.789 1.00 0.00 N ATOM 1687 CZ ARG A 100 79.749 7.016 9.926 1.00 0.00 C ATOM 1688 NH1 ARG A 100 78.564 7.433 10.351 1.00 0.00 N ATOM 1689 NH2 ARG A 100 79.933 5.733 9.652 1.00 0.00 N ATOM 0 H ARG A 100 85.618 9.500 11.089 1.00 0.00 H new ATOM 0 HA ARG A 100 83.524 11.352 12.051 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.210 10.037 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 100 83.213 8.575 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 100 81.229 9.284 12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.285 10.875 11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 100 79.586 9.561 10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 100 80.904 9.850 9.096 1.00 0.00 H new ATOM 0 HE ARG A 100 81.670 7.515 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 100 78.420 8.418 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 100 77.797 6.769 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 100 80.846 5.405 9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 100 79.162 5.073 9.757 1.00 0.00 H new ATOM 1703 N GLY A 101 84.885 9.038 13.717 1.00 0.00 N ATOM 1704 CA GLY A 101 84.900 8.360 15.001 1.00 0.00 C ATOM 1705 C GLY A 101 84.128 7.058 14.967 1.00 0.00 C ATOM 1706 O GLY A 101 83.333 6.769 15.861 1.00 0.00 O ATOM 0 H GLY A 101 85.771 9.021 13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.931 8.162 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.473 9.014 15.761 1.00 0.00 H new