USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 79 LYS NZ :NH3+ 137:sc= 0.326 (180deg=-0.793) USER MOD Set 1.2: A 92 TYR OH : rot -130:sc= 0.487 USER MOD Set 2.1: A 27 THR OG1 : rot 170:sc= -0.0263 USER MOD Set 2.2: A 40 HIS : no HD1:sc= 0.934 K(o=0.91,f=-5.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 1.28 (180deg=1.02) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.851 K(o=0.85,f=-3.1) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= 1.18 (180deg=-0.114!) USER MOD Single : A 8 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.2!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -158:sc= 1.26 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.0024) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 33 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.094) USER MOD Single : A 34 ASN : amide:sc= 0.201 K(o=0.2,f=-0.72) USER MOD Single : A 37 ASN : amide:sc= -0.656 K(o=-0.66,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot -168:sc= -1.16 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.99! C(o=-2!,f=-6.8!) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.505) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc=-0.00186 (180deg=-0.0766) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00178 (180deg=-0.0844) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 68 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.32) USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= -1.62 (180deg=-3.95!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -63:sc= -2.67 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 81 MET CE :methyl 133:sc= -0.348 (180deg=-1.11) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.51) USER MOD Single : A 97 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 99 HIS : no HD1:sc= -1.95! K(o=-1.9!,f=0.59) USER MOD Single : A 100 HIS : no HD1:sc= -0.589 K(o=-0.59,f=0.14) USER MOD Single : A 101 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.221 3.149 4.124 1.00 0.00 N ATOM 2 CA MET A 1 23.237 3.369 3.071 1.00 0.00 C ATOM 3 C MET A 1 22.580 3.981 1.846 1.00 0.00 C ATOM 4 O MET A 1 21.358 3.920 1.698 1.00 0.00 O ATOM 5 CB MET A 1 23.910 2.048 2.686 1.00 0.00 C ATOM 6 CG MET A 1 24.621 1.366 3.841 1.00 0.00 C ATOM 7 SD MET A 1 25.414 -0.176 3.359 1.00 0.00 S ATOM 8 CE MET A 1 26.182 -0.640 4.909 1.00 0.00 C ATOM 0 H1 MET A 1 22.629 3.377 5.053 1.00 0.00 H new ATOM 0 H2 MET A 1 21.400 3.762 3.947 1.00 0.00 H new ATOM 0 H3 MET A 1 21.919 2.154 4.113 1.00 0.00 H new ATOM 0 HA MET A 1 23.996 4.048 3.458 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.157 1.371 2.284 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.629 2.236 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.371 2.043 4.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.903 1.167 4.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.718 -1.581 4.782 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.881 0.138 5.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.415 -0.760 5.674 1.00 0.00 H new ATOM 20 N SER A 2 23.382 4.582 0.979 1.00 0.00 N ATOM 21 CA SER A 2 22.873 5.171 -0.246 1.00 0.00 C ATOM 22 C SER A 2 22.473 4.084 -1.240 1.00 0.00 C ATOM 23 O SER A 2 23.298 3.609 -2.025 1.00 0.00 O ATOM 24 CB SER A 2 23.928 6.087 -0.861 1.00 0.00 C ATOM 25 OG SER A 2 24.453 6.976 0.109 1.00 0.00 O ATOM 0 H SER A 2 24.390 4.673 1.104 1.00 0.00 H new ATOM 0 HA SER A 2 21.987 5.759 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.734 5.487 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.489 6.655 -1.681 1.00 0.00 H new ATOM 0 HG SER A 2 25.128 7.552 -0.307 1.00 0.00 H new ATOM 31 N ASN A 3 21.216 3.673 -1.176 1.00 0.00 N ATOM 32 CA ASN A 3 20.700 2.639 -2.057 1.00 0.00 C ATOM 33 C ASN A 3 19.182 2.731 -2.141 1.00 0.00 C ATOM 34 O ASN A 3 18.523 3.100 -1.169 1.00 0.00 O ATOM 35 CB ASN A 3 21.108 1.253 -1.551 1.00 0.00 C ATOM 36 CG ASN A 3 20.694 0.147 -2.502 1.00 0.00 C ATOM 37 OD1 ASN A 3 20.645 0.342 -3.717 1.00 0.00 O ATOM 38 ND2 ASN A 3 20.405 -1.024 -1.960 1.00 0.00 N ATOM 0 H ASN A 3 20.531 4.043 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 3 21.123 2.789 -3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 3 22.189 1.223 -1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.656 1.078 -0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 3 20.129 -1.807 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.458 -1.145 -0.949 1.00 0.00 H new ATOM 45 N LEU A 4 18.641 2.406 -3.306 1.00 0.00 N ATOM 46 CA LEU A 4 17.203 2.448 -3.522 1.00 0.00 C ATOM 47 C LEU A 4 16.660 1.047 -3.816 1.00 0.00 C ATOM 48 O LEU A 4 16.384 0.285 -2.884 1.00 0.00 O ATOM 49 CB LEU A 4 16.830 3.450 -4.640 1.00 0.00 C ATOM 50 CG LEU A 4 17.571 3.312 -5.982 1.00 0.00 C ATOM 51 CD1 LEU A 4 16.788 4.003 -7.086 1.00 0.00 C ATOM 52 CD2 LEU A 4 18.974 3.902 -5.900 1.00 0.00 C ATOM 0 H LEU A 4 19.180 2.109 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 4 16.733 2.803 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.761 3.359 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.001 4.458 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 4 17.658 2.249 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 4 17.322 3.899 -8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.802 3.546 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 4 16.677 5.061 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 4 19.473 3.790 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 4 18.910 4.960 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 4 19.544 3.379 -5.133 1.00 0.00 H new ATOM 64 N GLU A 5 16.542 0.708 -5.104 1.00 0.00 N ATOM 65 CA GLU A 5 16.060 -0.603 -5.553 1.00 0.00 C ATOM 66 C GLU A 5 14.589 -0.818 -5.195 1.00 0.00 C ATOM 67 O GLU A 5 14.152 -0.527 -4.082 1.00 0.00 O ATOM 68 CB GLU A 5 16.905 -1.735 -4.958 1.00 0.00 C ATOM 69 CG GLU A 5 18.386 -1.628 -5.274 1.00 0.00 C ATOM 70 CD GLU A 5 19.192 -2.705 -4.586 1.00 0.00 C ATOM 71 OE1 GLU A 5 19.031 -2.880 -3.362 1.00 0.00 O ATOM 72 OE2 GLU A 5 20.002 -3.375 -5.261 1.00 0.00 O ATOM 0 H GLU A 5 16.780 1.339 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 5 16.156 -0.620 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.774 -1.743 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.532 -2.689 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.533 -1.699 -6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.752 -0.649 -4.966 1.00 0.00 H new ATOM 79 N ILE A 6 13.823 -1.327 -6.148 1.00 0.00 N ATOM 80 CA ILE A 6 12.442 -1.681 -5.886 1.00 0.00 C ATOM 81 C ILE A 6 12.392 -3.019 -5.159 1.00 0.00 C ATOM 82 O ILE A 6 12.432 -4.083 -5.779 1.00 0.00 O ATOM 83 CB ILE A 6 11.599 -1.756 -7.180 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.700 -0.443 -7.961 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.143 -2.064 -6.845 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.978 -0.466 -9.292 1.00 0.00 C ATOM 0 H ILE A 6 14.134 -1.502 -7.103 1.00 0.00 H new ATOM 0 HA ILE A 6 12.011 -0.896 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 6 11.991 -2.560 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.293 0.364 -7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.752 -0.213 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.561 -2.114 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.084 -3.020 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.743 -1.278 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.095 0.499 -9.786 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.400 -1.250 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.919 -0.664 -9.128 1.00 0.00 H new ATOM 98 N LYS A 7 12.359 -2.953 -3.838 1.00 0.00 N ATOM 99 CA LYS A 7 12.316 -4.146 -3.016 1.00 0.00 C ATOM 100 C LYS A 7 10.873 -4.619 -2.876 1.00 0.00 C ATOM 101 O LYS A 7 10.032 -3.903 -2.331 1.00 0.00 O ATOM 102 CB LYS A 7 12.889 -3.856 -1.624 1.00 0.00 C ATOM 103 CG LYS A 7 14.254 -3.167 -1.609 1.00 0.00 C ATOM 104 CD LYS A 7 15.368 -4.086 -2.082 1.00 0.00 C ATOM 105 CE LYS A 7 16.645 -3.888 -1.268 1.00 0.00 C ATOM 106 NZ LYS A 7 17.195 -2.508 -1.377 1.00 0.00 N ATOM 0 H LYS A 7 12.361 -2.079 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 7 12.915 -4.921 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.180 -3.232 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.969 -4.797 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.220 -2.283 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.474 -2.823 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.043 -5.123 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.574 -3.896 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.440 -4.110 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.398 -4.601 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.858 -2.336 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.694 -2.404 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.417 -1.819 -1.329 1.00 0.00 H new ATOM 120 N GLN A 8 10.575 -5.807 -3.379 1.00 0.00 N ATOM 121 CA GLN A 8 9.234 -6.352 -3.245 1.00 0.00 C ATOM 122 C GLN A 8 9.175 -7.366 -2.114 1.00 0.00 C ATOM 123 O GLN A 8 10.085 -8.176 -1.931 1.00 0.00 O ATOM 124 CB GLN A 8 8.747 -6.993 -4.547 1.00 0.00 C ATOM 125 CG GLN A 8 9.553 -8.198 -4.988 1.00 0.00 C ATOM 126 CD GLN A 8 8.860 -8.983 -6.085 1.00 0.00 C ATOM 127 OE1 GLN A 8 7.631 -9.034 -6.144 1.00 0.00 O ATOM 128 NE2 GLN A 8 9.636 -9.603 -6.958 1.00 0.00 N ATOM 0 H GLN A 8 11.234 -6.405 -3.877 1.00 0.00 H new ATOM 0 HA GLN A 8 8.571 -5.519 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.706 -7.292 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.772 -6.244 -5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.530 -7.869 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.726 -8.850 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.651 -9.537 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.220 -10.147 -7.714 1.00 0.00 H new ATOM 137 N GLY A 9 8.102 -7.307 -1.354 1.00 0.00 N ATOM 138 CA GLY A 9 7.925 -8.210 -0.243 1.00 0.00 C ATOM 139 C GLY A 9 6.610 -7.987 0.459 1.00 0.00 C ATOM 140 O GLY A 9 6.170 -6.851 0.580 1.00 0.00 O ATOM 0 H GLY A 9 7.340 -6.642 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.976 -9.239 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.742 -8.078 0.466 1.00 0.00 H new ATOM 144 N GLU A 10 5.990 -9.081 0.909 1.00 0.00 N ATOM 145 CA GLU A 10 4.730 -9.059 1.673 1.00 0.00 C ATOM 146 C GLU A 10 3.672 -8.117 1.070 1.00 0.00 C ATOM 147 O GLU A 10 3.022 -7.359 1.791 1.00 0.00 O ATOM 148 CB GLU A 10 4.997 -8.724 3.156 1.00 0.00 C ATOM 149 CG GLU A 10 5.627 -7.360 3.405 1.00 0.00 C ATOM 150 CD GLU A 10 6.107 -7.191 4.828 1.00 0.00 C ATOM 151 OE1 GLU A 10 5.281 -6.863 5.703 1.00 0.00 O ATOM 152 OE2 GLU A 10 7.319 -7.378 5.073 1.00 0.00 O ATOM 0 H GLU A 10 6.350 -10.022 0.753 1.00 0.00 H new ATOM 0 HA GLU A 10 4.310 -10.063 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.054 -8.777 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.649 -9.491 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.467 -7.222 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.900 -6.581 3.176 1.00 0.00 H new ATOM 159 N ASN A 11 3.492 -8.204 -0.256 1.00 0.00 N ATOM 160 CA ASN A 11 2.488 -7.403 -0.985 1.00 0.00 C ATOM 161 C ASN A 11 2.879 -5.925 -1.014 1.00 0.00 C ATOM 162 O ASN A 11 2.061 -5.058 -1.320 1.00 0.00 O ATOM 163 CB ASN A 11 1.081 -7.546 -0.373 1.00 0.00 C ATOM 164 CG ASN A 11 0.519 -8.955 -0.453 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.064 -9.351 -1.462 1.00 0.00 O ATOM 166 ND2 ASN A 11 0.669 -9.715 0.622 1.00 0.00 N ATOM 0 H ASN A 11 4.034 -8.828 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 11 2.462 -7.790 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.116 -7.237 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.401 -6.864 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.295 -10.664 0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.159 -9.351 1.440 1.00 0.00 H new ATOM 173 N LYS A 12 4.137 -5.646 -0.719 1.00 0.00 N ATOM 174 CA LYS A 12 4.621 -4.281 -0.638 1.00 0.00 C ATOM 175 C LYS A 12 5.827 -4.067 -1.547 1.00 0.00 C ATOM 176 O LYS A 12 6.798 -4.818 -1.491 1.00 0.00 O ATOM 177 CB LYS A 12 4.983 -3.955 0.816 1.00 0.00 C ATOM 178 CG LYS A 12 5.825 -2.702 0.980 1.00 0.00 C ATOM 179 CD LYS A 12 5.990 -2.326 2.447 1.00 0.00 C ATOM 180 CE LYS A 12 6.699 -3.416 3.235 1.00 0.00 C ATOM 181 NZ LYS A 12 6.800 -3.077 4.679 1.00 0.00 N ATOM 0 H LYS A 12 4.846 -6.354 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 12 3.831 -3.610 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.064 -3.840 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.522 -4.801 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.806 -2.861 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.359 -1.876 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.555 -1.397 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.010 -2.139 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.161 -4.357 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.698 -3.568 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.289 -3.844 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.335 -2.193 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.846 -2.957 5.075 1.00 0.00 H new ATOM 195 N PHE A 13 5.743 -3.052 -2.393 1.00 0.00 N ATOM 196 CA PHE A 13 6.883 -2.615 -3.185 1.00 0.00 C ATOM 197 C PHE A 13 7.490 -1.379 -2.540 1.00 0.00 C ATOM 198 O PHE A 13 6.932 -0.284 -2.630 1.00 0.00 O ATOM 199 CB PHE A 13 6.473 -2.301 -4.628 1.00 0.00 C ATOM 200 CG PHE A 13 6.188 -3.518 -5.463 1.00 0.00 C ATOM 201 CD1 PHE A 13 4.918 -4.066 -5.511 1.00 0.00 C ATOM 202 CD2 PHE A 13 7.196 -4.111 -6.206 1.00 0.00 C ATOM 203 CE1 PHE A 13 4.658 -5.181 -6.287 1.00 0.00 C ATOM 204 CE2 PHE A 13 6.942 -5.226 -6.982 1.00 0.00 C ATOM 205 CZ PHE A 13 5.670 -5.761 -7.022 1.00 0.00 C ATOM 0 H PHE A 13 4.892 -2.512 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 13 7.616 -3.422 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.586 -1.668 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.267 -1.725 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.121 -3.618 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.193 -3.697 -6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.662 -5.597 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.737 -5.678 -7.556 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.468 -6.632 -7.628 1.00 0.00 H new ATOM 215 N TYR A 14 8.613 -1.555 -1.870 1.00 0.00 N ATOM 216 CA TYR A 14 9.226 -0.457 -1.147 1.00 0.00 C ATOM 217 C TYR A 14 10.629 -0.170 -1.665 1.00 0.00 C ATOM 218 O TYR A 14 11.466 -1.061 -1.772 1.00 0.00 O ATOM 219 CB TYR A 14 9.250 -0.739 0.366 1.00 0.00 C ATOM 220 CG TYR A 14 10.046 -1.961 0.782 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.510 -3.239 0.667 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.333 -1.836 1.292 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.233 -4.354 1.046 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.061 -2.947 1.672 1.00 0.00 C ATOM 225 CZ TYR A 14 11.505 -4.203 1.545 1.00 0.00 C ATOM 226 OH TYR A 14 12.229 -5.314 1.911 1.00 0.00 O ATOM 0 H TYR A 14 9.116 -2.440 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 14 8.618 0.432 -1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.660 0.133 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.224 -0.858 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.511 -3.362 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.771 -0.854 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.801 -5.339 0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.060 -2.833 2.066 1.00 0.00 H new ATOM 0 HH TYR A 14 12.929 -5.054 2.546 1.00 0.00 H new ATOM 236 N ILE A 15 10.863 1.080 -2.015 1.00 0.00 N ATOM 237 CA ILE A 15 12.185 1.525 -2.399 1.00 0.00 C ATOM 238 C ILE A 15 12.932 2.016 -1.170 1.00 0.00 C ATOM 239 O ILE A 15 12.532 2.995 -0.532 1.00 0.00 O ATOM 240 CB ILE A 15 12.134 2.640 -3.468 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.628 2.070 -4.796 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.503 3.285 -3.646 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.672 3.061 -5.940 1.00 0.00 C ATOM 0 H ILE A 15 10.149 1.808 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 15 12.709 0.677 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 15 11.442 3.412 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.227 1.198 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.603 1.724 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.441 4.066 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.826 3.721 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.223 2.530 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.299 2.586 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.050 3.923 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.700 3.388 -6.098 1.00 0.00 H new ATOM 255 N GLY A 16 13.997 1.314 -0.826 1.00 0.00 N ATOM 256 CA GLY A 16 14.776 1.675 0.331 1.00 0.00 C ATOM 257 C GLY A 16 15.921 0.719 0.561 1.00 0.00 C ATOM 258 O GLY A 16 15.941 -0.384 0.011 1.00 0.00 O ATOM 0 H GLY A 16 14.336 0.496 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.166 2.685 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.133 1.689 1.211 1.00 0.00 H new ATOM 262 N ASP A 17 16.872 1.147 1.375 1.00 0.00 N ATOM 263 CA ASP A 17 18.054 0.348 1.675 1.00 0.00 C ATOM 264 C ASP A 17 17.765 -0.638 2.807 1.00 0.00 C ATOM 265 O ASP A 17 18.566 -1.525 3.107 1.00 0.00 O ATOM 266 CB ASP A 17 19.218 1.278 2.039 1.00 0.00 C ATOM 267 CG ASP A 17 20.473 0.535 2.442 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.942 -0.317 1.659 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.991 0.800 3.549 1.00 0.00 O ATOM 0 H ASP A 17 16.849 2.052 1.845 1.00 0.00 H new ATOM 0 HA ASP A 17 18.329 -0.233 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.442 1.920 1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.911 1.930 2.857 1.00 0.00 H new ATOM 274 N ASP A 18 16.606 -0.484 3.424 1.00 0.00 N ATOM 275 CA ASP A 18 16.190 -1.361 4.508 1.00 0.00 C ATOM 276 C ASP A 18 14.674 -1.304 4.649 1.00 0.00 C ATOM 277 O ASP A 18 14.044 -0.371 4.149 1.00 0.00 O ATOM 278 CB ASP A 18 16.868 -0.946 5.822 1.00 0.00 C ATOM 279 CG ASP A 18 16.678 -1.962 6.932 1.00 0.00 C ATOM 280 OD1 ASP A 18 17.494 -2.904 7.026 1.00 0.00 O ATOM 281 OD2 ASP A 18 15.713 -1.826 7.714 1.00 0.00 O ATOM 0 H ASP A 18 15.931 0.245 3.192 1.00 0.00 H new ATOM 0 HA ASP A 18 16.491 -2.384 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.934 -0.804 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.467 0.015 6.144 1.00 0.00 H new ATOM 286 N GLU A 19 14.096 -2.293 5.316 1.00 0.00 N ATOM 287 CA GLU A 19 12.653 -2.341 5.535 1.00 0.00 C ATOM 288 C GLU A 19 12.191 -1.128 6.341 1.00 0.00 C ATOM 289 O GLU A 19 11.153 -0.533 6.044 1.00 0.00 O ATOM 290 CB GLU A 19 12.253 -3.632 6.260 1.00 0.00 C ATOM 291 CG GLU A 19 12.396 -4.897 5.420 1.00 0.00 C ATOM 292 CD GLU A 19 13.824 -5.175 4.997 1.00 0.00 C ATOM 293 OE1 GLU A 19 14.690 -5.336 5.881 1.00 0.00 O ATOM 294 OE2 GLU A 19 14.088 -5.213 3.778 1.00 0.00 O ATOM 0 H GLU A 19 14.606 -3.079 5.718 1.00 0.00 H new ATOM 0 HA GLU A 19 12.166 -2.324 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.864 -3.735 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.217 -3.544 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.020 -5.747 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.772 -4.808 4.531 1.00 0.00 H new ATOM 301 N ASN A 20 12.977 -0.752 7.347 1.00 0.00 N ATOM 302 CA ASN A 20 12.657 0.408 8.179 1.00 0.00 C ATOM 303 C ASN A 20 13.141 1.695 7.526 1.00 0.00 C ATOM 304 O ASN A 20 12.899 2.790 8.032 1.00 0.00 O ATOM 305 CB ASN A 20 13.278 0.277 9.572 1.00 0.00 C ATOM 306 CG ASN A 20 12.498 -0.647 10.488 1.00 0.00 C ATOM 307 OD1 ASN A 20 12.770 -1.844 10.564 1.00 0.00 O ATOM 308 ND2 ASN A 20 11.514 -0.095 11.182 1.00 0.00 N ATOM 0 H ASN A 20 13.839 -1.232 7.606 1.00 0.00 H new ATOM 0 HA ASN A 20 11.572 0.446 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.298 -0.094 9.475 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.340 1.264 10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.949 -0.667 11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.322 0.902 11.089 1.00 0.00 H new ATOM 315 N ASN A 21 13.817 1.556 6.398 1.00 0.00 N ATOM 316 CA ASN A 21 14.359 2.702 5.680 1.00 0.00 C ATOM 317 C ASN A 21 13.732 2.808 4.299 1.00 0.00 C ATOM 318 O ASN A 21 14.363 3.271 3.352 1.00 0.00 O ATOM 319 CB ASN A 21 15.881 2.597 5.554 1.00 0.00 C ATOM 320 CG ASN A 21 16.603 2.984 6.830 1.00 0.00 C ATOM 321 OD1 ASN A 21 16.924 4.153 7.041 1.00 0.00 O ATOM 322 ND2 ASN A 21 16.875 2.009 7.683 1.00 0.00 N ATOM 0 H ASN A 21 14.005 0.656 5.956 1.00 0.00 H new ATOM 0 HA ASN A 21 14.119 3.600 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.149 1.575 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.219 3.240 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.368 2.214 8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.592 1.052 7.471 1.00 0.00 H new ATOM 329 N ALA A 22 12.489 2.369 4.192 1.00 0.00 N ATOM 330 CA ALA A 22 11.749 2.484 2.949 1.00 0.00 C ATOM 331 C ALA A 22 11.278 3.917 2.753 1.00 0.00 C ATOM 332 O ALA A 22 10.403 4.397 3.478 1.00 0.00 O ATOM 333 CB ALA A 22 10.565 1.532 2.945 1.00 0.00 C ATOM 0 H ALA A 22 11.971 1.929 4.953 1.00 0.00 H new ATOM 0 HA ALA A 22 12.408 2.215 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.021 1.632 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.922 0.507 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.901 1.773 3.775 1.00 0.00 H new ATOM 339 N LEU A 23 11.874 4.602 1.786 1.00 0.00 N ATOM 340 CA LEU A 23 11.531 5.991 1.509 1.00 0.00 C ATOM 341 C LEU A 23 10.229 6.067 0.727 1.00 0.00 C ATOM 342 O LEU A 23 9.505 7.063 0.795 1.00 0.00 O ATOM 343 CB LEU A 23 12.640 6.695 0.713 1.00 0.00 C ATOM 344 CG LEU A 23 13.999 6.820 1.411 1.00 0.00 C ATOM 345 CD1 LEU A 23 14.811 5.541 1.259 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.770 8.011 0.861 1.00 0.00 C ATOM 0 H LEU A 23 12.598 4.218 1.179 1.00 0.00 H new ATOM 0 HA LEU A 23 11.416 6.497 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.784 6.156 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.294 7.696 0.455 1.00 0.00 H new ATOM 0 HG LEU A 23 13.821 6.981 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.770 5.657 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.265 4.709 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.979 5.340 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.733 8.086 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.931 7.877 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.199 8.924 1.030 1.00 0.00 H new ATOM 358 N ALA A 24 9.940 5.008 -0.017 1.00 0.00 N ATOM 359 CA ALA A 24 8.752 4.963 -0.849 1.00 0.00 C ATOM 360 C ALA A 24 8.192 3.547 -0.925 1.00 0.00 C ATOM 361 O ALA A 24 8.686 2.719 -1.686 1.00 0.00 O ATOM 362 CB ALA A 24 9.081 5.489 -2.237 1.00 0.00 C ATOM 0 H ALA A 24 10.516 4.167 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 24 7.986 5.596 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.188 5.454 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.432 6.518 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.860 4.872 -2.685 1.00 0.00 H new ATOM 368 N GLU A 25 7.176 3.267 -0.122 1.00 0.00 N ATOM 369 CA GLU A 25 6.562 1.943 -0.108 1.00 0.00 C ATOM 370 C GLU A 25 5.107 2.000 -0.567 1.00 0.00 C ATOM 371 O GLU A 25 4.263 2.631 0.071 1.00 0.00 O ATOM 372 CB GLU A 25 6.642 1.312 1.290 1.00 0.00 C ATOM 373 CG GLU A 25 6.086 2.186 2.402 1.00 0.00 C ATOM 374 CD GLU A 25 5.898 1.425 3.697 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.906 1.123 4.368 1.00 0.00 O ATOM 376 OE2 GLU A 25 4.737 1.127 4.055 1.00 0.00 O ATOM 0 H GLU A 25 6.759 3.934 0.527 1.00 0.00 H new ATOM 0 HA GLU A 25 7.121 1.321 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.100 0.367 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.684 1.080 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.760 3.025 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.130 2.604 2.088 1.00 0.00 H new ATOM 383 N ILE A 26 4.814 1.344 -1.675 1.00 0.00 N ATOM 384 CA ILE A 26 3.446 1.265 -2.161 1.00 0.00 C ATOM 385 C ILE A 26 2.886 -0.136 -1.919 1.00 0.00 C ATOM 386 O ILE A 26 3.424 -1.133 -2.411 1.00 0.00 O ATOM 387 CB ILE A 26 3.338 1.661 -3.656 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.886 1.550 -4.140 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.263 0.810 -4.519 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.660 2.111 -5.529 1.00 0.00 C ATOM 0 H ILE A 26 5.500 0.860 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 26 2.848 1.985 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 26 3.654 2.700 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.588 0.502 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.238 2.073 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.166 1.110 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.294 0.951 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.991 -0.241 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.611 1.997 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.925 3.168 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.281 1.572 -6.244 1.00 0.00 H new ATOM 402 N THR A 27 1.833 -0.212 -1.122 1.00 0.00 N ATOM 403 CA THR A 27 1.259 -1.490 -0.743 1.00 0.00 C ATOM 404 C THR A 27 -0.104 -1.691 -1.391 1.00 0.00 C ATOM 405 O THR A 27 -0.901 -0.754 -1.491 1.00 0.00 O ATOM 406 CB THR A 27 1.116 -1.604 0.791 1.00 0.00 C ATOM 407 OG1 THR A 27 0.249 -0.577 1.294 1.00 0.00 O ATOM 408 CG2 THR A 27 2.469 -1.487 1.471 1.00 0.00 C ATOM 0 H THR A 27 1.358 0.599 -0.725 1.00 0.00 H new ATOM 0 HA THR A 27 1.940 -2.265 -1.095 1.00 0.00 H new ATOM 0 HB THR A 27 0.688 -2.582 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.040 -0.757 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.342 -1.570 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.123 -2.285 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.914 -0.521 1.231 1.00 0.00 H new ATOM 416 N TYR A 28 -0.366 -2.909 -1.838 1.00 0.00 N ATOM 417 CA TYR A 28 -1.656 -3.245 -2.417 1.00 0.00 C ATOM 418 C TYR A 28 -2.014 -4.690 -2.095 1.00 0.00 C ATOM 419 O TYR A 28 -1.177 -5.587 -2.201 1.00 0.00 O ATOM 420 CB TYR A 28 -1.666 -3.006 -3.935 1.00 0.00 C ATOM 421 CG TYR A 28 -0.768 -3.930 -4.735 1.00 0.00 C ATOM 422 CD1 TYR A 28 0.603 -3.720 -4.805 1.00 0.00 C ATOM 423 CD2 TYR A 28 -1.299 -5.017 -5.422 1.00 0.00 C ATOM 424 CE1 TYR A 28 1.416 -4.564 -5.537 1.00 0.00 C ATOM 425 CE2 TYR A 28 -0.492 -5.863 -6.155 1.00 0.00 C ATOM 426 CZ TYR A 28 0.864 -5.634 -6.208 1.00 0.00 C ATOM 427 OH TYR A 28 1.672 -6.480 -6.939 1.00 0.00 O ATOM 0 H TYR A 28 0.299 -3.682 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.408 -2.591 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.688 -3.113 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.366 -1.976 -4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.040 -2.884 -4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.362 -5.202 -5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.480 -4.386 -5.583 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.922 -6.700 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 28 1.125 -7.182 -7.348 1.00 0.00 H new ATOM 437 N ARG A 29 -3.247 -4.907 -1.678 1.00 0.00 N ATOM 438 CA ARG A 29 -3.702 -6.242 -1.340 1.00 0.00 C ATOM 439 C ARG A 29 -4.685 -6.754 -2.372 1.00 0.00 C ATOM 440 O ARG A 29 -5.499 -5.998 -2.905 1.00 0.00 O ATOM 441 CB ARG A 29 -4.360 -6.256 0.035 1.00 0.00 C ATOM 442 CG ARG A 29 -3.397 -6.029 1.187 1.00 0.00 C ATOM 443 CD ARG A 29 -4.142 -5.931 2.506 1.00 0.00 C ATOM 444 NE ARG A 29 -4.923 -4.701 2.594 1.00 0.00 N ATOM 445 CZ ARG A 29 -6.202 -4.641 2.960 1.00 0.00 C ATOM 446 NH1 ARG A 29 -6.904 -5.751 3.170 1.00 0.00 N ATOM 447 NH2 ARG A 29 -6.789 -3.460 3.093 1.00 0.00 N ATOM 0 H ARG A 29 -3.951 -4.177 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.829 -6.894 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.132 -5.487 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.860 -7.214 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.678 -6.847 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.829 -5.114 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.803 -6.791 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.430 -5.970 3.330 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.456 -3.825 2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.463 -6.663 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.883 -5.690 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.261 -2.605 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.768 -3.406 3.373 1.00 0.00 H new ATOM 461 N PHE A 30 -4.604 -8.043 -2.646 1.00 0.00 N ATOM 462 CA PHE A 30 -5.541 -8.695 -3.544 1.00 0.00 C ATOM 463 C PHE A 30 -6.821 -9.015 -2.784 1.00 0.00 C ATOM 464 O PHE A 30 -6.965 -10.096 -2.213 1.00 0.00 O ATOM 465 CB PHE A 30 -4.935 -9.979 -4.123 1.00 0.00 C ATOM 466 CG PHE A 30 -3.621 -9.777 -4.834 1.00 0.00 C ATOM 467 CD1 PHE A 30 -2.425 -9.814 -4.134 1.00 0.00 C ATOM 468 CD2 PHE A 30 -3.582 -9.556 -6.199 1.00 0.00 C ATOM 469 CE1 PHE A 30 -1.218 -9.634 -4.783 1.00 0.00 C ATOM 470 CE2 PHE A 30 -2.379 -9.376 -6.854 1.00 0.00 C ATOM 471 CZ PHE A 30 -1.196 -9.414 -6.145 1.00 0.00 C ATOM 0 H PHE A 30 -3.894 -8.663 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.765 -8.024 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.791 -10.696 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.647 -10.422 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.437 -9.986 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.504 -9.524 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.294 -9.665 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.365 -9.206 -7.920 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.255 -9.272 -6.655 1.00 0.00 H new ATOM 481 N VAL A 31 -7.735 -8.056 -2.753 1.00 0.00 N ATOM 482 CA VAL A 31 -8.959 -8.194 -1.973 1.00 0.00 C ATOM 483 C VAL A 31 -9.957 -9.107 -2.671 1.00 0.00 C ATOM 484 O VAL A 31 -10.870 -9.646 -2.041 1.00 0.00 O ATOM 485 CB VAL A 31 -9.618 -6.826 -1.684 1.00 0.00 C ATOM 486 CG1 VAL A 31 -8.714 -5.979 -0.805 1.00 0.00 C ATOM 487 CG2 VAL A 31 -9.946 -6.092 -2.975 1.00 0.00 C ATOM 0 H VAL A 31 -7.653 -7.174 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.673 -8.642 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.553 -7.006 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.192 -5.019 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.537 -6.495 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.763 -5.815 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.408 -5.133 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.030 -5.924 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.635 -6.692 -3.569 1.00 0.00 H new ATOM 497 N ASP A 32 -9.784 -9.276 -3.975 1.00 0.00 N ATOM 498 CA ASP A 32 -10.623 -10.185 -4.743 1.00 0.00 C ATOM 499 C ASP A 32 -9.860 -10.697 -5.962 1.00 0.00 C ATOM 500 O ASP A 32 -10.322 -10.593 -7.100 1.00 0.00 O ATOM 501 CB ASP A 32 -11.924 -9.497 -5.162 1.00 0.00 C ATOM 502 CG ASP A 32 -12.958 -10.485 -5.662 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.113 -11.553 -5.032 1.00 0.00 O ATOM 504 OD2 ASP A 32 -13.623 -10.199 -6.677 1.00 0.00 O ATOM 0 H ASP A 32 -9.070 -8.795 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.883 -11.037 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.331 -8.946 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.712 -8.768 -5.944 1.00 0.00 H new ATOM 509 N ASN A 33 -8.665 -11.227 -5.691 1.00 0.00 N ATOM 510 CA ASN A 33 -7.791 -11.831 -6.704 1.00 0.00 C ATOM 511 C ASN A 33 -7.272 -10.795 -7.702 1.00 0.00 C ATOM 512 O ASN A 33 -6.126 -10.361 -7.606 1.00 0.00 O ATOM 513 CB ASN A 33 -8.502 -12.973 -7.434 1.00 0.00 C ATOM 514 CG ASN A 33 -7.540 -13.874 -8.188 1.00 0.00 C ATOM 515 OD1 ASN A 33 -7.887 -14.441 -9.224 1.00 0.00 O ATOM 516 ND2 ASN A 33 -6.336 -14.043 -7.658 1.00 0.00 N ATOM 0 H ASN A 33 -8.271 -11.250 -4.751 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.929 -12.241 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.061 -13.568 -6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.227 -12.556 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.662 -14.660 -8.111 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.084 -13.556 -6.798 1.00 0.00 H new ATOM 523 N ASN A 34 -8.109 -10.387 -8.649 1.00 0.00 N ATOM 524 CA ASN A 34 -7.706 -9.386 -9.631 1.00 0.00 C ATOM 525 C ASN A 34 -8.020 -7.987 -9.136 1.00 0.00 C ATOM 526 O ASN A 34 -7.611 -6.995 -9.737 1.00 0.00 O ATOM 527 CB ASN A 34 -8.379 -9.616 -10.988 1.00 0.00 C ATOM 528 CG ASN A 34 -7.718 -10.719 -11.794 1.00 0.00 C ATOM 529 OD1 ASN A 34 -7.244 -11.713 -11.247 1.00 0.00 O ATOM 530 ND2 ASN A 34 -7.663 -10.537 -13.104 1.00 0.00 N ATOM 0 H ASN A 34 -9.063 -10.730 -8.758 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.629 -9.487 -9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.428 -9.867 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.356 -8.689 -11.562 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.215 -11.235 -13.698 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.068 -9.698 -13.520 1.00 0.00 H new ATOM 537 N GLU A 35 -8.757 -7.917 -8.041 1.00 0.00 N ATOM 538 CA GLU A 35 -9.068 -6.644 -7.417 1.00 0.00 C ATOM 539 C GLU A 35 -7.944 -6.264 -6.463 1.00 0.00 C ATOM 540 O GLU A 35 -7.817 -6.851 -5.385 1.00 0.00 O ATOM 541 CB GLU A 35 -10.383 -6.744 -6.646 1.00 0.00 C ATOM 542 CG GLU A 35 -11.231 -5.491 -6.717 1.00 0.00 C ATOM 543 CD GLU A 35 -11.814 -5.282 -8.096 1.00 0.00 C ATOM 544 OE1 GLU A 35 -12.836 -5.931 -8.414 1.00 0.00 O ATOM 545 OE2 GLU A 35 -11.247 -4.500 -8.880 1.00 0.00 O ATOM 0 H GLU A 35 -9.151 -8.729 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.169 -5.881 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.959 -7.583 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.165 -6.965 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.038 -5.557 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.625 -4.627 -6.444 1.00 0.00 H new ATOM 552 N ILE A 36 -7.120 -5.306 -6.857 1.00 0.00 N ATOM 553 CA ILE A 36 -5.998 -4.901 -6.025 1.00 0.00 C ATOM 554 C ILE A 36 -6.255 -3.552 -5.361 1.00 0.00 C ATOM 555 O ILE A 36 -6.410 -2.524 -6.024 1.00 0.00 O ATOM 556 CB ILE A 36 -4.660 -4.871 -6.806 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.748 -3.958 -8.032 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.268 -6.280 -7.221 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.443 -3.837 -8.796 1.00 0.00 C ATOM 0 H ILE A 36 -7.205 -4.799 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.905 -5.659 -5.248 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.892 -4.466 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.518 -4.339 -8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.066 -2.965 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.326 -6.249 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.151 -6.901 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.045 -6.701 -7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.582 -3.175 -9.651 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.674 -3.427 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.134 -4.822 -9.146 1.00 0.00 H new ATOM 571 N ASN A 37 -6.315 -3.572 -4.040 1.00 0.00 N ATOM 572 CA ASN A 37 -6.573 -2.370 -3.263 1.00 0.00 C ATOM 573 C ASN A 37 -5.275 -1.791 -2.733 1.00 0.00 C ATOM 574 O ASN A 37 -4.611 -2.407 -1.899 1.00 0.00 O ATOM 575 CB ASN A 37 -7.516 -2.682 -2.094 1.00 0.00 C ATOM 576 CG ASN A 37 -7.758 -1.487 -1.179 1.00 0.00 C ATOM 577 OD1 ASN A 37 -8.679 -0.702 -1.397 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.941 -1.350 -0.143 1.00 0.00 N ATOM 0 H ASN A 37 -6.187 -4.414 -3.479 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.046 -1.637 -3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.471 -3.028 -2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.098 -3.501 -1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.066 -0.573 0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.188 -2.022 0.005 1.00 0.00 H new ATOM 585 N ILE A 38 -4.910 -0.618 -3.227 1.00 0.00 N ATOM 586 CA ILE A 38 -3.724 0.070 -2.737 1.00 0.00 C ATOM 587 C ILE A 38 -4.047 0.758 -1.415 1.00 0.00 C ATOM 588 O ILE A 38 -4.793 1.746 -1.377 1.00 0.00 O ATOM 589 CB ILE A 38 -3.166 1.109 -3.752 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.482 0.420 -4.943 1.00 0.00 C ATOM 591 CG2 ILE A 38 -2.177 2.049 -3.074 1.00 0.00 C ATOM 592 CD1 ILE A 38 -3.422 -0.316 -5.872 1.00 0.00 C ATOM 0 H ILE A 38 -5.414 -0.124 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.947 -0.682 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.014 1.684 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.939 1.171 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.743 -0.285 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.800 2.767 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.677 2.582 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.346 1.472 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.851 -0.770 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.947 -1.094 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.146 0.385 -6.287 1.00 0.00 H new ATOM 604 N ASP A 39 -3.508 0.209 -0.334 1.00 0.00 N ATOM 605 CA ASP A 39 -3.758 0.734 1.000 1.00 0.00 C ATOM 606 C ASP A 39 -3.103 2.089 1.174 1.00 0.00 C ATOM 607 O ASP A 39 -3.763 3.072 1.504 1.00 0.00 O ATOM 608 CB ASP A 39 -3.238 -0.217 2.076 1.00 0.00 C ATOM 609 CG ASP A 39 -4.059 -1.481 2.193 1.00 0.00 C ATOM 610 OD1 ASP A 39 -5.180 -1.415 2.739 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.577 -2.547 1.763 1.00 0.00 O ATOM 0 H ASP A 39 -2.892 -0.604 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.838 0.836 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.205 -0.481 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.234 0.298 3.037 1.00 0.00 H new ATOM 616 N HIS A 40 -1.800 2.138 0.945 1.00 0.00 N ATOM 617 CA HIS A 40 -1.059 3.376 1.099 1.00 0.00 C ATOM 618 C HIS A 40 0.164 3.394 0.195 1.00 0.00 C ATOM 619 O HIS A 40 0.809 2.365 -0.020 1.00 0.00 O ATOM 620 CB HIS A 40 -0.638 3.593 2.568 1.00 0.00 C ATOM 621 CG HIS A 40 0.364 2.598 3.097 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.025 1.541 3.915 1.00 0.00 N ATOM 623 CD2 HIS A 40 1.709 2.520 2.931 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.114 0.859 4.225 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.146 1.432 3.637 1.00 0.00 N ATOM 0 H HIS A 40 -1.238 1.338 0.653 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.719 4.193 0.806 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.219 4.595 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.529 3.557 3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.322 3.193 2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.152 -0.019 4.853 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.114 1.115 3.698 1.00 0.00 H new ATOM 634 N THR A 41 0.462 4.560 -0.345 1.00 0.00 N ATOM 635 CA THR A 41 1.706 4.777 -1.053 1.00 0.00 C ATOM 636 C THR A 41 2.598 5.681 -0.210 1.00 0.00 C ATOM 637 O THR A 41 2.539 6.906 -0.306 1.00 0.00 O ATOM 638 CB THR A 41 1.463 5.402 -2.441 1.00 0.00 C ATOM 639 OG1 THR A 41 0.465 4.646 -3.138 1.00 0.00 O ATOM 640 CG2 THR A 41 2.743 5.421 -3.265 1.00 0.00 C ATOM 0 H THR A 41 -0.147 5.377 -0.305 1.00 0.00 H new ATOM 0 HA THR A 41 2.195 3.816 -1.213 1.00 0.00 H new ATOM 0 HB THR A 41 1.126 6.429 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.445 4.920 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.542 5.867 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.501 6.008 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.104 4.401 -3.400 1.00 0.00 H new ATOM 648 N GLY A 42 3.391 5.061 0.650 1.00 0.00 N ATOM 649 CA GLY A 42 4.180 5.802 1.609 1.00 0.00 C ATOM 650 C GLY A 42 5.468 6.321 1.022 1.00 0.00 C ATOM 651 O GLY A 42 6.529 5.730 1.218 1.00 0.00 O ATOM 0 H GLY A 42 3.502 4.048 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.594 6.640 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.406 5.161 2.461 1.00 0.00 H new ATOM 655 N VAL A 43 5.370 7.409 0.280 1.00 0.00 N ATOM 656 CA VAL A 43 6.540 8.082 -0.255 1.00 0.00 C ATOM 657 C VAL A 43 6.803 9.348 0.544 1.00 0.00 C ATOM 658 O VAL A 43 5.929 10.212 0.643 1.00 0.00 O ATOM 659 CB VAL A 43 6.359 8.456 -1.743 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.633 9.072 -2.308 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.942 7.243 -2.558 1.00 0.00 C ATOM 0 H VAL A 43 4.484 7.849 0.032 1.00 0.00 H new ATOM 0 HA VAL A 43 7.383 7.395 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 43 5.565 9.200 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.480 9.327 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.880 9.974 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.451 8.357 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.821 7.531 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.708 6.472 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.997 6.855 -2.176 1.00 0.00 H new ATOM 671 N SER A 44 7.983 9.452 1.132 1.00 0.00 N ATOM 672 CA SER A 44 8.332 10.646 1.876 1.00 0.00 C ATOM 673 C SER A 44 8.522 11.810 0.922 1.00 0.00 C ATOM 674 O SER A 44 9.235 11.712 -0.079 1.00 0.00 O ATOM 675 CB SER A 44 9.586 10.438 2.719 1.00 0.00 C ATOM 676 OG SER A 44 9.867 11.573 3.527 1.00 0.00 O ATOM 0 H SER A 44 8.706 8.733 1.109 1.00 0.00 H new ATOM 0 HA SER A 44 7.513 10.869 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.457 9.561 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.435 10.236 2.066 1.00 0.00 H new ATOM 0 HG SER A 44 10.675 11.406 4.056 1.00 0.00 H new ATOM 682 N ASP A 45 7.886 12.909 1.250 1.00 0.00 N ATOM 683 CA ASP A 45 7.878 14.076 0.386 1.00 0.00 C ATOM 684 C ASP A 45 8.622 15.227 1.038 1.00 0.00 C ATOM 685 O ASP A 45 8.039 16.043 1.751 1.00 0.00 O ATOM 686 CB ASP A 45 6.443 14.484 0.040 1.00 0.00 C ATOM 687 CG ASP A 45 6.381 15.777 -0.749 1.00 0.00 C ATOM 688 OD1 ASP A 45 7.128 15.914 -1.738 1.00 0.00 O ATOM 689 OD2 ASP A 45 5.585 16.667 -0.374 1.00 0.00 O ATOM 0 H ASP A 45 7.361 13.024 2.117 1.00 0.00 H new ATOM 0 HA ASP A 45 8.390 13.819 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.971 13.688 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.869 14.595 0.960 1.00 0.00 H new ATOM 694 N GLU A 46 9.928 15.255 0.827 1.00 0.00 N ATOM 695 CA GLU A 46 10.766 16.316 1.365 1.00 0.00 C ATOM 696 C GLU A 46 11.381 17.114 0.225 1.00 0.00 C ATOM 697 O GLU A 46 12.244 17.966 0.436 1.00 0.00 O ATOM 698 CB GLU A 46 11.873 15.732 2.249 1.00 0.00 C ATOM 699 CG GLU A 46 11.373 14.770 3.318 1.00 0.00 C ATOM 700 CD GLU A 46 10.328 15.381 4.228 1.00 0.00 C ATOM 701 OE1 GLU A 46 10.653 16.345 4.954 1.00 0.00 O ATOM 702 OE2 GLU A 46 9.185 14.885 4.243 1.00 0.00 O ATOM 0 H GLU A 46 10.433 14.553 0.285 1.00 0.00 H new ATOM 0 HA GLU A 46 10.147 16.974 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.592 15.213 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.406 16.550 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.954 13.887 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.218 14.434 3.919 1.00 0.00 H new ATOM 709 N LEU A 47 10.915 16.839 -0.985 1.00 0.00 N ATOM 710 CA LEU A 47 11.467 17.465 -2.174 1.00 0.00 C ATOM 711 C LEU A 47 10.344 17.803 -3.147 1.00 0.00 C ATOM 712 O LEU A 47 10.114 18.970 -3.462 1.00 0.00 O ATOM 713 CB LEU A 47 12.504 16.529 -2.822 1.00 0.00 C ATOM 714 CG LEU A 47 13.394 17.150 -3.909 1.00 0.00 C ATOM 715 CD1 LEU A 47 14.681 16.352 -4.049 1.00 0.00 C ATOM 716 CD2 LEU A 47 12.675 17.191 -5.250 1.00 0.00 C ATOM 0 H LEU A 47 10.154 16.185 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 47 11.970 18.392 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.148 16.135 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.975 15.680 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 47 13.627 18.172 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.305 16.800 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.218 16.358 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.444 15.325 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.329 17.636 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.412 16.178 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.769 17.789 -5.159 1.00 0.00 H new ATOM 728 N GLY A 48 9.638 16.781 -3.608 1.00 0.00 N ATOM 729 CA GLY A 48 8.549 16.996 -4.537 1.00 0.00 C ATOM 730 C GLY A 48 8.280 15.774 -5.388 1.00 0.00 C ATOM 731 O GLY A 48 8.715 14.670 -5.052 1.00 0.00 O ATOM 0 H GLY A 48 9.800 15.806 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.647 17.258 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.785 17.842 -5.182 1.00 0.00 H new ATOM 735 N GLY A 49 7.568 15.971 -6.491 1.00 0.00 N ATOM 736 CA GLY A 49 7.253 14.875 -7.387 1.00 0.00 C ATOM 737 C GLY A 49 8.453 14.425 -8.197 1.00 0.00 C ATOM 738 O GLY A 49 8.629 14.835 -9.345 1.00 0.00 O ATOM 0 H GLY A 49 7.201 16.877 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.874 14.033 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.456 15.181 -8.064 1.00 0.00 H new ATOM 742 N GLN A 50 9.284 13.590 -7.594 1.00 0.00 N ATOM 743 CA GLN A 50 10.472 13.077 -8.259 1.00 0.00 C ATOM 744 C GLN A 50 10.148 11.768 -8.983 1.00 0.00 C ATOM 745 O GLN A 50 9.083 11.183 -8.767 1.00 0.00 O ATOM 746 CB GLN A 50 11.594 12.878 -7.230 1.00 0.00 C ATOM 747 CG GLN A 50 12.981 12.713 -7.835 1.00 0.00 C ATOM 748 CD GLN A 50 13.462 13.946 -8.583 1.00 0.00 C ATOM 749 OE1 GLN A 50 12.671 14.718 -9.121 1.00 0.00 O ATOM 750 NE2 GLN A 50 14.770 14.123 -8.642 1.00 0.00 N ATOM 0 H GLN A 50 9.157 13.251 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 50 10.811 13.797 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.605 13.733 -6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.366 11.998 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.690 12.478 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.973 11.863 -8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 50 15.395 13.461 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.154 14.922 -9.147 1.00 0.00 H new ATOM 759 N GLY A 51 11.070 11.314 -9.831 1.00 0.00 N ATOM 760 CA GLY A 51 10.844 10.126 -10.644 1.00 0.00 C ATOM 761 C GLY A 51 10.497 8.888 -9.833 1.00 0.00 C ATOM 762 O GLY A 51 9.766 8.018 -10.313 1.00 0.00 O ATOM 0 H GLY A 51 11.980 11.753 -9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.036 10.327 -11.348 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.738 9.924 -11.234 1.00 0.00 H new ATOM 766 N VAL A 52 11.019 8.811 -8.608 1.00 0.00 N ATOM 767 CA VAL A 52 10.744 7.687 -7.708 1.00 0.00 C ATOM 768 C VAL A 52 9.243 7.409 -7.596 1.00 0.00 C ATOM 769 O VAL A 52 8.816 6.252 -7.578 1.00 0.00 O ATOM 770 CB VAL A 52 11.313 7.946 -6.293 1.00 0.00 C ATOM 771 CG1 VAL A 52 11.027 6.771 -5.371 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.807 8.221 -6.353 1.00 0.00 C ATOM 0 H VAL A 52 11.639 9.518 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 52 11.236 6.816 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 52 10.817 8.828 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.437 6.976 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.950 6.623 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.489 5.870 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.185 8.400 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.318 7.361 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.991 9.100 -6.971 1.00 0.00 H new ATOM 782 N GLY A 53 8.449 8.475 -7.547 1.00 0.00 N ATOM 783 CA GLY A 53 7.014 8.332 -7.400 1.00 0.00 C ATOM 784 C GLY A 53 6.387 7.557 -8.542 1.00 0.00 C ATOM 785 O GLY A 53 5.677 6.573 -8.324 1.00 0.00 O ATOM 0 H GLY A 53 8.777 9.439 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.797 7.826 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.558 9.320 -7.342 1.00 0.00 H new ATOM 789 N LYS A 54 6.666 7.982 -9.767 1.00 0.00 N ATOM 790 CA LYS A 54 6.094 7.330 -10.938 1.00 0.00 C ATOM 791 C LYS A 54 6.766 5.988 -11.196 1.00 0.00 C ATOM 792 O LYS A 54 6.204 5.133 -11.869 1.00 0.00 O ATOM 793 CB LYS A 54 6.197 8.220 -12.180 1.00 0.00 C ATOM 794 CG LYS A 54 5.305 9.449 -12.120 1.00 0.00 C ATOM 795 CD LYS A 54 5.205 10.143 -13.473 1.00 0.00 C ATOM 796 CE LYS A 54 4.618 9.218 -14.531 1.00 0.00 C ATOM 797 NZ LYS A 54 4.329 9.931 -15.806 1.00 0.00 N ATOM 0 H LYS A 54 7.280 8.769 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 54 5.038 7.157 -10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.232 8.538 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.935 7.633 -13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.309 9.159 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.698 10.148 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.584 11.034 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.194 10.475 -13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.314 8.401 -14.723 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.699 8.771 -14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.361 9.256 -16.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.384 10.362 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.041 10.674 -15.957 1.00 0.00 H new ATOM 811 N LYS A 55 7.968 5.810 -10.659 1.00 0.00 N ATOM 812 CA LYS A 55 8.693 4.553 -10.801 1.00 0.00 C ATOM 813 C LYS A 55 7.934 3.421 -10.110 1.00 0.00 C ATOM 814 O LYS A 55 7.842 2.310 -10.635 1.00 0.00 O ATOM 815 CB LYS A 55 10.106 4.685 -10.221 1.00 0.00 C ATOM 816 CG LYS A 55 10.990 3.471 -10.459 1.00 0.00 C ATOM 817 CD LYS A 55 12.359 3.653 -9.823 1.00 0.00 C ATOM 818 CE LYS A 55 13.263 2.455 -10.072 1.00 0.00 C ATOM 819 NZ LYS A 55 13.616 2.304 -11.508 1.00 0.00 N ATOM 0 H LYS A 55 8.462 6.522 -10.120 1.00 0.00 H new ATOM 0 HA LYS A 55 8.776 4.316 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.586 5.561 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.032 4.862 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.510 2.583 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.103 3.305 -11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.829 4.552 -10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.244 3.804 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.175 2.563 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.766 1.549 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.349 1.574 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.771 2.024 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.975 3.209 -11.874 1.00 0.00 H new ATOM 833 N LEU A 56 7.379 3.718 -8.940 1.00 0.00 N ATOM 834 CA LEU A 56 6.572 2.748 -8.208 1.00 0.00 C ATOM 835 C LEU A 56 5.280 2.457 -8.956 1.00 0.00 C ATOM 836 O LEU A 56 4.936 1.297 -9.193 1.00 0.00 O ATOM 837 CB LEU A 56 6.249 3.258 -6.803 1.00 0.00 C ATOM 838 CG LEU A 56 7.430 3.312 -5.838 1.00 0.00 C ATOM 839 CD1 LEU A 56 6.988 3.873 -4.499 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.038 1.930 -5.659 1.00 0.00 C ATOM 0 H LEU A 56 7.473 4.623 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 56 7.150 1.828 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.824 4.258 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.478 2.620 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 56 8.191 3.969 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.840 3.906 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.595 4.880 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.211 3.236 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.879 1.989 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.286 1.251 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.386 1.558 -6.623 1.00 0.00 H new ATOM 852 N LEU A 57 4.574 3.519 -9.335 1.00 0.00 N ATOM 853 CA LEU A 57 3.319 3.382 -10.072 1.00 0.00 C ATOM 854 C LEU A 57 3.541 2.625 -11.378 1.00 0.00 C ATOM 855 O LEU A 57 2.709 1.817 -11.787 1.00 0.00 O ATOM 856 CB LEU A 57 2.691 4.757 -10.344 1.00 0.00 C ATOM 857 CG LEU A 57 1.831 5.331 -9.205 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.647 5.537 -7.938 1.00 0.00 C ATOM 859 CD2 LEU A 57 1.183 6.639 -9.635 1.00 0.00 C ATOM 0 H LEU A 57 4.848 4.483 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 57 2.626 2.808 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.490 5.465 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.074 4.684 -11.240 1.00 0.00 H new ATOM 0 HG LEU A 57 1.049 4.605 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.007 5.944 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.058 4.582 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.461 6.233 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.578 7.031 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.958 7.361 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.548 6.462 -10.503 1.00 0.00 H new ATOM 871 N LYS A 58 4.680 2.880 -12.012 1.00 0.00 N ATOM 872 CA LYS A 58 5.071 2.166 -13.220 1.00 0.00 C ATOM 873 C LYS A 58 5.060 0.661 -12.980 1.00 0.00 C ATOM 874 O LYS A 58 4.384 -0.082 -13.689 1.00 0.00 O ATOM 875 CB LYS A 58 6.473 2.597 -13.658 1.00 0.00 C ATOM 876 CG LYS A 58 7.005 1.840 -14.865 1.00 0.00 C ATOM 877 CD LYS A 58 8.522 1.912 -14.937 1.00 0.00 C ATOM 878 CE LYS A 58 9.027 3.327 -15.171 1.00 0.00 C ATOM 879 NZ LYS A 58 8.636 3.847 -16.507 1.00 0.00 N ATOM 0 H LYS A 58 5.353 3.582 -11.705 1.00 0.00 H new ATOM 0 HA LYS A 58 4.354 2.408 -14.005 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.459 3.662 -13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.161 2.460 -12.824 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.690 0.798 -14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.575 2.256 -15.776 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.945 1.527 -14.009 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.876 1.266 -15.741 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.632 3.985 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.113 3.343 -15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.125 4.747 -16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.901 3.158 -17.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.608 4.001 -16.532 1.00 0.00 H new ATOM 893 N ALA A 59 5.801 0.232 -11.964 1.00 0.00 N ATOM 894 CA ALA A 59 5.946 -1.186 -11.658 1.00 0.00 C ATOM 895 C ALA A 59 4.607 -1.830 -11.315 1.00 0.00 C ATOM 896 O ALA A 59 4.307 -2.935 -11.774 1.00 0.00 O ATOM 897 CB ALA A 59 6.937 -1.378 -10.519 1.00 0.00 C ATOM 0 H ALA A 59 6.313 0.851 -11.335 1.00 0.00 H new ATOM 0 HA ALA A 59 6.328 -1.682 -12.551 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.037 -2.441 -10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.907 -0.974 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.577 -0.856 -9.632 1.00 0.00 H new ATOM 903 N VAL A 60 3.802 -1.137 -10.518 1.00 0.00 N ATOM 904 CA VAL A 60 2.516 -1.668 -10.088 1.00 0.00 C ATOM 905 C VAL A 60 1.546 -1.780 -11.263 1.00 0.00 C ATOM 906 O VAL A 60 0.987 -2.846 -11.501 1.00 0.00 O ATOM 907 CB VAL A 60 1.883 -0.808 -8.971 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.546 -1.385 -8.534 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.826 -0.700 -7.784 1.00 0.00 C ATOM 0 H VAL A 60 4.018 -0.208 -10.157 1.00 0.00 H new ATOM 0 HA VAL A 60 2.706 -2.664 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 60 1.709 0.191 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.121 -0.762 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.135 -1.410 -9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.692 -2.397 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.364 -0.091 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.031 -1.696 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.760 -0.236 -8.102 1.00 0.00 H new ATOM 919 N VAL A 61 1.377 -0.691 -12.012 1.00 0.00 N ATOM 920 CA VAL A 61 0.443 -0.671 -13.136 1.00 0.00 C ATOM 921 C VAL A 61 0.871 -1.660 -14.218 1.00 0.00 C ATOM 922 O VAL A 61 0.036 -2.346 -14.809 1.00 0.00 O ATOM 923 CB VAL A 61 0.314 0.746 -13.745 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.568 0.730 -14.988 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.245 1.718 -12.714 1.00 0.00 C ATOM 0 H VAL A 61 1.874 0.187 -11.861 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.531 -0.967 -12.748 1.00 0.00 H new ATOM 0 HB VAL A 61 1.310 1.078 -14.039 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.641 1.738 -15.395 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.131 0.068 -15.736 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.563 0.372 -14.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.330 2.710 -13.158 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.230 1.380 -12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.424 1.761 -11.854 1.00 0.00 H new ATOM 935 N GLU A 62 2.175 -1.749 -14.450 1.00 0.00 N ATOM 936 CA GLU A 62 2.718 -2.654 -15.454 1.00 0.00 C ATOM 937 C GLU A 62 2.386 -4.104 -15.103 1.00 0.00 C ATOM 938 O GLU A 62 1.851 -4.848 -15.927 1.00 0.00 O ATOM 939 CB GLU A 62 4.231 -2.466 -15.555 1.00 0.00 C ATOM 940 CG GLU A 62 4.874 -3.196 -16.721 1.00 0.00 C ATOM 941 CD GLU A 62 6.372 -2.982 -16.774 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.811 -1.938 -17.301 1.00 0.00 O ATOM 943 OE2 GLU A 62 7.118 -3.854 -16.283 1.00 0.00 O ATOM 0 H GLU A 62 2.879 -1.202 -13.953 1.00 0.00 H new ATOM 0 HA GLU A 62 2.265 -2.423 -16.418 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.448 -1.402 -15.643 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.691 -2.809 -14.628 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.664 -4.262 -16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.426 -2.853 -17.654 1.00 0.00 H new ATOM 950 N HIS A 63 2.686 -4.487 -13.865 1.00 0.00 N ATOM 951 CA HIS A 63 2.410 -5.841 -13.387 1.00 0.00 C ATOM 952 C HIS A 63 0.904 -6.084 -13.303 1.00 0.00 C ATOM 953 O HIS A 63 0.426 -7.200 -13.538 1.00 0.00 O ATOM 954 CB HIS A 63 3.073 -6.057 -12.020 1.00 0.00 C ATOM 955 CG HIS A 63 2.798 -7.397 -11.400 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.525 -8.531 -11.692 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.869 -7.774 -10.489 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.056 -9.545 -10.985 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.050 -9.111 -10.248 1.00 0.00 N ATOM 0 H HIS A 63 3.121 -3.878 -13.172 1.00 0.00 H new ATOM 0 HA HIS A 63 2.827 -6.557 -14.095 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.151 -5.936 -12.130 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.732 -5.278 -11.338 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.123 -7.138 -10.036 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.432 -10.557 -11.007 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.498 -9.678 -9.605 1.00 0.00 H new ATOM 968 N ALA A 64 0.161 -5.036 -12.963 1.00 0.00 N ATOM 969 CA ALA A 64 -1.291 -5.110 -12.907 1.00 0.00 C ATOM 970 C ALA A 64 -1.853 -5.449 -14.278 1.00 0.00 C ATOM 971 O ALA A 64 -2.600 -6.413 -14.426 1.00 0.00 O ATOM 972 CB ALA A 64 -1.882 -3.797 -12.406 1.00 0.00 C ATOM 0 H ALA A 64 0.545 -4.122 -12.721 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.566 -5.899 -12.207 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.969 -3.876 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.503 -3.585 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.598 -2.989 -13.080 1.00 0.00 H new ATOM 978 N ARG A 65 -1.451 -4.678 -15.283 1.00 0.00 N ATOM 979 CA ARG A 65 -1.934 -4.874 -16.643 1.00 0.00 C ATOM 980 C ARG A 65 -1.535 -6.253 -17.174 1.00 0.00 C ATOM 981 O ARG A 65 -2.246 -6.840 -17.989 1.00 0.00 O ATOM 982 CB ARG A 65 -1.402 -3.766 -17.560 1.00 0.00 C ATOM 983 CG ARG A 65 -2.089 -3.712 -18.915 1.00 0.00 C ATOM 984 CD ARG A 65 -1.681 -2.479 -19.707 1.00 0.00 C ATOM 985 NE ARG A 65 -2.459 -2.350 -20.937 1.00 0.00 N ATOM 986 CZ ARG A 65 -2.949 -1.198 -21.397 1.00 0.00 C ATOM 987 NH1 ARG A 65 -2.675 -0.055 -20.778 1.00 0.00 N ATOM 988 NH2 ARG A 65 -3.702 -1.184 -22.487 1.00 0.00 N ATOM 0 H ARG A 65 -0.789 -3.909 -15.179 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.023 -4.823 -16.630 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.524 -2.804 -17.062 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.333 -3.913 -17.710 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.841 -4.608 -19.484 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.170 -3.713 -18.775 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.819 -1.589 -19.093 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.620 -2.537 -19.951 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.639 -3.195 -21.479 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.086 -0.054 -19.945 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.053 0.822 -21.136 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.908 -2.055 -22.976 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.076 -0.302 -22.837 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.402 -6.767 -16.699 1.00 0.00 N ATOM 1003 CA GLU A 66 0.043 -8.114 -17.059 1.00 0.00 C ATOM 1004 C GLU A 66 -0.998 -9.161 -16.674 1.00 0.00 C ATOM 1005 O GLU A 66 -1.353 -10.025 -17.474 1.00 0.00 O ATOM 1006 CB GLU A 66 1.355 -8.467 -16.355 1.00 0.00 C ATOM 1007 CG GLU A 66 2.585 -7.776 -16.907 1.00 0.00 C ATOM 1008 CD GLU A 66 3.836 -8.213 -16.174 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.140 -9.428 -16.185 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.501 -7.357 -15.554 1.00 0.00 O ATOM 0 H GLU A 66 0.225 -6.272 -16.064 1.00 0.00 H new ATOM 0 HA GLU A 66 0.188 -8.118 -18.139 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.261 -8.218 -15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.504 -9.545 -16.417 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.686 -8.001 -17.969 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.468 -6.696 -16.820 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.487 -9.067 -15.447 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.350 -10.102 -14.890 1.00 0.00 C ATOM 1019 C ASN A 67 -3.816 -9.693 -14.921 1.00 0.00 C ATOM 1020 O ASN A 67 -4.653 -10.345 -14.299 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.933 -10.417 -13.449 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.517 -10.963 -13.355 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.299 -12.173 -13.405 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.459 -10.075 -13.221 1.00 0.00 N ATOM 0 H ASN A 67 -1.302 -8.286 -14.817 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.236 -10.992 -15.509 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.010 -9.512 -12.847 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.627 -11.142 -13.024 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.428 -10.388 -13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.241 -9.079 -13.183 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.117 -8.621 -15.654 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.491 -8.119 -15.775 1.00 0.00 C ATOM 1033 C ASN A 68 -6.012 -7.671 -14.406 1.00 0.00 C ATOM 1034 O ASN A 68 -7.195 -7.810 -14.086 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.406 -9.199 -16.377 1.00 0.00 C ATOM 1036 CG ASN A 68 -7.789 -8.684 -16.747 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -8.780 -9.404 -16.617 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -7.872 -7.451 -17.226 1.00 0.00 N ATOM 0 H ASN A 68 -3.427 -8.080 -16.176 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.492 -7.259 -16.444 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.931 -9.612 -17.267 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.510 -10.016 -15.663 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.778 -7.070 -17.501 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.030 -6.883 -17.320 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.113 -7.123 -13.603 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.460 -6.650 -12.276 1.00 0.00 C ATOM 1047 C LEU A 69 -6.053 -5.251 -12.358 1.00 0.00 C ATOM 1048 O LEU A 69 -5.530 -4.381 -13.057 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.226 -6.639 -11.371 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.490 -7.976 -11.237 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.238 -7.808 -10.389 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.402 -9.036 -10.636 1.00 0.00 C ATOM 0 H LEU A 69 -4.132 -6.995 -13.851 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.200 -7.328 -11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.525 -5.896 -11.752 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.530 -6.311 -10.377 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.194 -8.306 -12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.726 -8.766 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.574 -7.083 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.516 -7.454 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.859 -9.977 -10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.731 -8.715 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.271 -9.176 -11.279 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.140 -5.040 -11.641 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.824 -3.760 -11.650 1.00 0.00 C ATOM 1066 C LYS A 70 -7.504 -2.988 -10.382 1.00 0.00 C ATOM 1067 O LYS A 70 -7.596 -3.520 -9.275 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.329 -3.967 -11.815 1.00 0.00 C ATOM 1069 CG LYS A 70 -9.706 -4.448 -13.208 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.182 -4.805 -13.331 1.00 0.00 C ATOM 1071 CE LYS A 70 -11.521 -6.091 -12.590 1.00 0.00 C ATOM 1072 NZ LYS A 70 -11.739 -5.866 -11.137 1.00 0.00 N ATOM 0 H LYS A 70 -7.571 -5.743 -11.041 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.474 -3.171 -12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.675 -4.692 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.846 -3.030 -11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.463 -3.671 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.104 -5.320 -13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.787 -3.989 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.442 -4.914 -14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.417 -6.533 -13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.713 -6.810 -12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.021 -6.386 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.663 -4.850 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.686 -6.204 -10.872 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.131 -1.730 -10.556 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.585 -0.932 -9.470 1.00 0.00 C ATOM 1088 C ILE A 71 -7.651 -0.094 -8.776 1.00 0.00 C ATOM 1089 O ILE A 71 -8.301 0.756 -9.396 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.453 -0.002 -9.969 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.250 -0.830 -10.434 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -5.039 0.980 -8.879 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.056 0.002 -10.848 1.00 0.00 C ATOM 0 H ILE A 71 -7.197 -1.237 -11.446 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.180 -1.641 -8.748 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.828 0.572 -10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.951 -1.502 -9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.554 -1.454 -11.274 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.242 1.623 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.896 1.591 -8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.682 0.429 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.246 -0.656 -11.164 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.337 0.655 -11.674 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.724 0.607 -10.004 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.824 -0.347 -7.488 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.651 0.495 -6.643 1.00 0.00 C ATOM 1107 C ILE A 72 -7.799 1.104 -5.530 1.00 0.00 C ATOM 1108 O ILE A 72 -7.366 0.416 -4.603 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.857 -0.269 -6.041 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.415 -1.596 -5.417 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.918 -0.505 -7.108 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.529 -2.342 -4.717 1.00 0.00 C ATOM 0 H ILE A 72 -7.398 -1.137 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.060 1.287 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.287 0.345 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.998 -2.233 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.615 -1.402 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.760 -1.043 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.262 0.453 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.493 -1.095 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.139 -3.271 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.931 -1.725 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.320 -2.568 -5.432 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.514 2.392 -5.653 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.700 3.086 -4.668 1.00 0.00 C ATOM 1126 C ALA A 73 -7.578 3.663 -3.568 1.00 0.00 C ATOM 1127 O ALA A 73 -8.415 4.530 -3.818 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.881 4.182 -5.330 1.00 0.00 C ATOM 0 H ALA A 73 -7.834 2.977 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.012 2.369 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.278 4.691 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.227 3.743 -6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.550 4.900 -5.805 1.00 0.00 H new ATOM 1134 N SER A 74 -7.389 3.169 -2.354 1.00 0.00 N ATOM 1135 CA SER A 74 -8.208 3.582 -1.230 1.00 0.00 C ATOM 1136 C SER A 74 -7.608 4.805 -0.540 1.00 0.00 C ATOM 1137 O SER A 74 -8.283 5.490 0.231 1.00 0.00 O ATOM 1138 CB SER A 74 -8.347 2.423 -0.242 1.00 0.00 C ATOM 1139 OG SER A 74 -9.256 2.735 0.803 1.00 0.00 O ATOM 0 H SER A 74 -6.673 2.480 -2.124 1.00 0.00 H new ATOM 0 HA SER A 74 -9.196 3.858 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.690 1.533 -0.770 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.371 2.186 0.182 1.00 0.00 H new ATOM 0 HG SER A 74 -9.323 1.973 1.416 1.00 0.00 H new ATOM 1145 N CYS A 75 -6.342 5.074 -0.818 1.00 0.00 N ATOM 1146 CA CYS A 75 -5.667 6.223 -0.240 1.00 0.00 C ATOM 1147 C CYS A 75 -5.758 7.426 -1.172 1.00 0.00 C ATOM 1148 O CYS A 75 -5.611 7.294 -2.389 1.00 0.00 O ATOM 1149 CB CYS A 75 -4.211 5.877 0.064 1.00 0.00 C ATOM 1150 SG CYS A 75 -3.406 4.899 -1.223 1.00 0.00 S ATOM 0 H CYS A 75 -5.762 4.512 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.162 6.487 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.651 6.801 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.167 5.328 1.005 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.009 3.753 -1.338 1.00 0.00 H new ATOM 1156 N SER A 76 -5.999 8.599 -0.589 1.00 0.00 N ATOM 1157 CA SER A 76 -6.191 9.822 -1.362 1.00 0.00 C ATOM 1158 C SER A 76 -4.969 10.141 -2.219 1.00 0.00 C ATOM 1159 O SER A 76 -5.102 10.491 -3.390 1.00 0.00 O ATOM 1160 CB SER A 76 -6.483 10.995 -0.423 1.00 0.00 C ATOM 1161 OG SER A 76 -7.588 10.717 0.424 1.00 0.00 O ATOM 0 H SER A 76 -6.066 8.727 0.421 1.00 0.00 H new ATOM 0 HA SER A 76 -7.040 9.665 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.602 11.206 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.688 11.890 -1.010 1.00 0.00 H new ATOM 0 HG SER A 76 -7.749 11.483 1.013 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.788 10.008 -1.625 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.528 10.316 -2.301 1.00 0.00 C ATOM 1169 C PHE A 77 -2.389 9.533 -3.607 1.00 0.00 C ATOM 1170 O PHE A 77 -2.255 10.119 -4.684 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.357 10.005 -1.361 1.00 0.00 C ATOM 1172 CG PHE A 77 0.001 10.321 -1.925 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.423 11.634 -2.064 1.00 0.00 C ATOM 1174 CD2 PHE A 77 0.863 9.302 -2.303 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.677 11.924 -2.569 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.118 9.587 -2.810 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.526 10.899 -2.943 1.00 0.00 C ATOM 0 H PHE A 77 -3.675 9.685 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.520 11.376 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.491 10.567 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.390 8.947 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.235 12.440 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.550 8.273 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.993 12.952 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.778 8.784 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.506 11.124 -3.338 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.450 8.211 -3.505 1.00 0.00 N ATOM 1188 CA ALA A 78 -2.280 7.335 -4.661 1.00 0.00 C ATOM 1189 C ALA A 78 -3.395 7.536 -5.679 1.00 0.00 C ATOM 1190 O ALA A 78 -3.141 7.622 -6.882 1.00 0.00 O ATOM 1191 CB ALA A 78 -2.240 5.884 -4.218 1.00 0.00 C ATOM 0 H ALA A 78 -2.617 7.718 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.335 7.593 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.113 5.241 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.406 5.736 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.173 5.632 -3.714 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.629 7.629 -5.194 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.778 7.772 -6.075 1.00 0.00 C ATOM 1199 C LYS A 79 -5.720 9.101 -6.816 1.00 0.00 C ATOM 1200 O LYS A 79 -6.228 9.225 -7.927 1.00 0.00 O ATOM 1201 CB LYS A 79 -7.088 7.686 -5.292 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.264 7.246 -6.150 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.588 7.766 -5.616 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.724 9.262 -5.849 1.00 0.00 C ATOM 1205 NZ LYS A 79 -9.613 9.611 -7.293 1.00 0.00 N ATOM 0 H LYS A 79 -4.856 7.608 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.745 6.954 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.966 6.986 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.308 8.660 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.121 7.601 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.293 6.157 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.411 7.243 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.662 7.553 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.686 9.603 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.952 9.789 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.339 10.315 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.670 10.006 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.752 8.756 -7.868 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.106 10.094 -6.187 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.979 11.414 -6.789 1.00 0.00 C ATOM 1221 C HIS A 80 -3.952 11.376 -7.917 1.00 0.00 C ATOM 1222 O HIS A 80 -4.137 12.003 -8.958 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.566 12.444 -5.733 1.00 0.00 C ATOM 1224 CG HIS A 80 -4.987 13.850 -6.049 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -5.588 14.671 -5.121 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -4.897 14.579 -7.188 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -5.851 15.838 -5.674 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -5.444 15.812 -6.929 1.00 0.00 N ATOM 0 H HIS A 80 -4.688 10.010 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.945 11.706 -7.200 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.994 12.155 -4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.482 12.418 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.474 14.251 -8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.321 16.676 -5.182 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.523 16.580 -7.596 1.00 0.00 H new ATOM 1237 N MET A 81 -2.876 10.626 -7.702 1.00 0.00 N ATOM 1238 CA MET A 81 -1.813 10.496 -8.695 1.00 0.00 C ATOM 1239 C MET A 81 -2.288 9.693 -9.899 1.00 0.00 C ATOM 1240 O MET A 81 -2.111 10.109 -11.045 1.00 0.00 O ATOM 1241 CB MET A 81 -0.584 9.825 -8.075 1.00 0.00 C ATOM 1242 CG MET A 81 0.095 10.658 -7.002 1.00 0.00 C ATOM 1243 SD MET A 81 1.470 9.794 -6.217 1.00 0.00 S ATOM 1244 CE MET A 81 2.535 9.472 -7.619 1.00 0.00 C ATOM 0 H MET A 81 -2.716 10.096 -6.845 1.00 0.00 H new ATOM 0 HA MET A 81 -1.542 11.497 -9.031 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.882 8.869 -7.645 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.137 9.609 -8.864 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.459 11.586 -7.444 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.637 10.932 -6.243 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.560 9.746 -7.368 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.494 8.412 -7.871 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.201 10.061 -8.473 1.00 0.00 H new ATOM 1254 N LEU A 82 -2.906 8.549 -9.629 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.397 7.666 -10.685 1.00 0.00 C ATOM 1256 C LEU A 82 -4.481 8.345 -11.520 1.00 0.00 C ATOM 1257 O LEU A 82 -4.618 8.075 -12.709 1.00 0.00 O ATOM 1258 CB LEU A 82 -3.952 6.376 -10.075 1.00 0.00 C ATOM 1259 CG LEU A 82 -2.919 5.481 -9.388 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.608 4.344 -8.653 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -1.932 4.932 -10.407 1.00 0.00 C ATOM 0 H LEU A 82 -3.080 8.208 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.558 7.431 -11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.721 6.639 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.440 5.802 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.370 6.081 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.859 3.717 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.280 4.753 -7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.180 3.746 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.204 4.297 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.468 4.346 -11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.416 5.758 -10.896 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.242 9.230 -10.887 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.336 9.923 -11.557 1.00 0.00 C ATOM 1275 C GLU A 83 -5.824 11.160 -12.298 1.00 0.00 C ATOM 1276 O GLU A 83 -6.501 11.700 -13.174 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.401 10.314 -10.530 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.661 10.903 -11.134 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.699 11.230 -10.085 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -9.606 12.309 -9.468 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.613 10.408 -9.872 1.00 0.00 O ATOM 0 H GLU A 83 -5.121 9.485 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.779 9.252 -12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.669 9.433 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.972 11.037 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.408 11.808 -11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.082 10.198 -11.851 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.625 11.604 -11.944 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.022 12.757 -12.597 1.00 0.00 C ATOM 1290 C LYS A 84 -3.283 12.307 -13.849 1.00 0.00 C ATOM 1291 O LYS A 84 -3.166 13.052 -14.823 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.072 13.481 -11.636 1.00 0.00 C ATOM 1293 CG LYS A 84 -2.608 14.841 -12.139 1.00 0.00 C ATOM 1294 CD LYS A 84 -1.746 15.550 -11.108 1.00 0.00 C ATOM 1295 CE LYS A 84 -1.369 16.948 -11.566 1.00 0.00 C ATOM 1296 NZ LYS A 84 -0.564 17.663 -10.545 1.00 0.00 N ATOM 0 H LYS A 84 -4.053 11.185 -11.211 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.807 13.456 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.571 13.610 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.199 12.852 -11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.043 14.715 -13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.475 15.458 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.283 15.608 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.842 14.969 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.804 16.886 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.274 17.517 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.326 18.613 -10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.112 17.744 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.311 17.133 -10.360 1.00 0.00 H new ATOM 1310 N GLU A 85 -2.789 11.080 -13.813 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.132 10.482 -14.958 1.00 0.00 C ATOM 1312 C GLU A 85 -3.174 9.764 -15.816 1.00 0.00 C ATOM 1313 O GLU A 85 -3.735 8.749 -15.404 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.060 9.498 -14.488 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.093 9.061 -15.580 1.00 0.00 C ATOM 1316 CD GLU A 85 0.845 10.168 -16.020 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.729 10.560 -15.235 1.00 0.00 O ATOM 1318 OE2 GLU A 85 0.713 10.644 -17.164 1.00 0.00 O ATOM 0 H GLU A 85 -2.833 10.475 -12.993 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.651 11.259 -15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.493 9.956 -13.678 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.549 8.615 -14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.495 8.216 -15.220 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.661 8.710 -16.441 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.428 10.292 -17.007 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.498 9.785 -17.865 1.00 0.00 C ATOM 1327 C ASP A 86 -4.244 8.334 -18.263 1.00 0.00 C ATOM 1328 O ASP A 86 -5.170 7.521 -18.308 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.634 10.657 -19.118 1.00 0.00 C ATOM 1330 CG ASP A 86 -5.844 10.288 -19.958 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -6.975 10.676 -19.583 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -5.677 9.611 -20.996 1.00 0.00 O ATOM 0 H ASP A 86 -2.907 11.074 -17.404 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.429 9.826 -17.300 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.708 11.703 -18.822 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.733 10.560 -19.723 1.00 0.00 H new ATOM 1337 N SER A 87 -2.985 8.015 -18.525 1.00 0.00 N ATOM 1338 CA SER A 87 -2.598 6.678 -18.964 1.00 0.00 C ATOM 1339 C SER A 87 -2.771 5.634 -17.856 1.00 0.00 C ATOM 1340 O SER A 87 -3.016 4.462 -18.136 1.00 0.00 O ATOM 1341 CB SER A 87 -1.149 6.700 -19.449 1.00 0.00 C ATOM 1342 OG SER A 87 -0.957 7.716 -20.422 1.00 0.00 O ATOM 0 H SER A 87 -2.206 8.669 -18.441 1.00 0.00 H new ATOM 0 HA SER A 87 -3.258 6.390 -19.782 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.481 6.869 -18.604 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.888 5.730 -19.873 1.00 0.00 H new ATOM 0 HG SER A 87 -0.023 7.714 -20.717 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.664 6.053 -16.599 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.769 5.113 -15.483 1.00 0.00 C ATOM 1350 C TYR A 88 -4.219 4.786 -15.158 1.00 0.00 C ATOM 1351 O TYR A 88 -4.501 3.848 -14.412 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.061 5.650 -14.237 1.00 0.00 C ATOM 1353 CG TYR A 88 -0.556 5.506 -14.275 1.00 0.00 C ATOM 1354 CD1 TYR A 88 0.049 4.534 -15.062 1.00 0.00 C ATOM 1355 CD2 TYR A 88 0.260 6.342 -13.523 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.421 4.398 -15.097 1.00 0.00 C ATOM 1357 CE2 TYR A 88 1.635 6.210 -13.552 1.00 0.00 C ATOM 1358 CZ TYR A 88 2.210 5.237 -14.344 1.00 0.00 C ATOM 1359 OH TYR A 88 3.580 5.099 -14.376 1.00 0.00 O ATOM 0 H TYR A 88 -2.507 7.023 -16.327 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.275 4.193 -15.796 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.312 6.704 -14.115 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.444 5.127 -13.360 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.565 3.874 -15.656 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.188 7.107 -12.906 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.874 3.636 -15.713 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.256 6.864 -12.958 1.00 0.00 H new ATOM 0 HH TYR A 88 3.990 5.769 -13.790 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.137 5.540 -15.738 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.557 5.334 -15.495 1.00 0.00 C ATOM 1371 C GLN A 89 -7.115 4.203 -16.356 1.00 0.00 C ATOM 1372 O GLN A 89 -8.322 3.974 -16.384 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.332 6.626 -15.745 1.00 0.00 C ATOM 1374 CG GLN A 89 -7.194 7.638 -14.619 1.00 0.00 C ATOM 1375 CD GLN A 89 -7.756 8.994 -14.982 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.943 9.267 -14.795 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -6.899 9.862 -15.489 1.00 0.00 N ATOM 0 H GLN A 89 -4.925 6.302 -16.382 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.677 5.046 -14.451 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.983 7.077 -16.674 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.387 6.388 -15.883 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.706 7.262 -13.733 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.141 7.744 -14.358 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.924 9.595 -15.628 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.212 10.799 -15.742 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.233 3.495 -17.053 1.00 0.00 N ATOM 1387 CA ASP A 90 -6.642 2.331 -17.836 1.00 0.00 C ATOM 1388 C ASP A 90 -7.067 1.194 -16.914 1.00 0.00 C ATOM 1389 O ASP A 90 -8.184 0.686 -17.005 1.00 0.00 O ATOM 1390 CB ASP A 90 -5.509 1.861 -18.749 1.00 0.00 C ATOM 1391 CG ASP A 90 -5.853 0.573 -19.476 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -6.601 0.631 -20.478 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -5.372 -0.497 -19.058 1.00 0.00 O ATOM 0 H ASP A 90 -5.235 3.704 -17.093 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.489 2.624 -18.456 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.286 2.639 -19.479 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.606 1.712 -18.157 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.174 0.812 -16.013 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.457 -0.252 -15.056 1.00 0.00 C ATOM 1400 C VAL A 91 -7.133 0.308 -13.809 1.00 0.00 C ATOM 1401 O VAL A 91 -7.616 -0.438 -12.959 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.171 -1.005 -14.655 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.649 -1.829 -15.822 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.108 -0.028 -14.181 1.00 0.00 C ATOM 0 H VAL A 91 -5.245 1.223 -15.923 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.132 -0.956 -15.543 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.411 -1.681 -13.834 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.742 -2.353 -15.521 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.405 -2.555 -16.122 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.426 -1.170 -16.661 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.208 -0.576 -13.902 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.873 0.671 -14.983 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.479 0.523 -13.317 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.163 1.628 -13.713 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.813 2.303 -12.603 1.00 0.00 C ATOM 1416 C TYR A 92 -9.310 2.423 -12.864 1.00 0.00 C ATOM 1417 O TYR A 92 -9.733 3.022 -13.853 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.191 3.690 -12.391 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.948 4.571 -11.421 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.952 4.302 -10.059 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.663 5.674 -11.874 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.648 5.107 -9.176 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.361 6.482 -11.000 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.351 6.196 -9.654 1.00 0.00 C ATOM 1425 OH TYR A 92 -10.048 7.000 -8.781 1.00 0.00 O ATOM 0 H TYR A 92 -6.741 2.256 -14.397 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.666 1.715 -11.697 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.170 3.566 -12.030 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.129 4.198 -13.353 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.403 3.451 -9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.672 5.903 -12.929 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.642 4.886 -8.119 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.912 7.334 -11.370 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.962 7.126 -9.111 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.107 1.829 -11.990 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.559 1.929 -12.099 1.00 0.00 C ATOM 1437 C LEU A 93 -12.136 2.703 -10.917 1.00 0.00 C ATOM 1438 O LEU A 93 -13.124 3.421 -11.057 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.216 0.541 -12.200 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.121 -0.360 -10.958 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -13.077 -1.533 -11.085 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -10.707 -0.880 -10.767 1.00 0.00 C ATOM 0 H LEU A 93 -9.778 1.274 -11.200 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.782 2.472 -13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.270 0.680 -12.440 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.766 0.012 -13.040 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.393 0.240 -10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.000 -2.163 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.098 -1.162 -11.179 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.821 -2.117 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.669 -1.514 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.411 -1.460 -11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.024 -0.040 -10.641 1.00 0.00 H new ATOM 1454 N GLY A 94 -11.503 2.554 -9.759 1.00 0.00 N ATOM 1455 CA GLY A 94 -11.923 3.283 -8.578 1.00 0.00 C ATOM 1456 C GLY A 94 -13.284 2.840 -8.077 1.00 0.00 C ATOM 1457 O GLY A 94 -13.553 1.644 -7.967 1.00 0.00 O ATOM 0 H GLY A 94 -10.702 1.938 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.185 3.144 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.952 4.349 -8.804 1.00 0.00 H new ATOM 1461 N LEU A 95 -14.145 3.804 -7.787 1.00 0.00 N ATOM 1462 CA LEU A 95 -15.475 3.513 -7.272 1.00 0.00 C ATOM 1463 C LEU A 95 -16.498 3.550 -8.397 1.00 0.00 C ATOM 1464 O LEU A 95 -16.489 4.463 -9.227 1.00 0.00 O ATOM 1465 CB LEU A 95 -15.880 4.510 -6.177 1.00 0.00 C ATOM 1466 CG LEU A 95 -15.131 4.392 -4.841 1.00 0.00 C ATOM 1467 CD1 LEU A 95 -13.709 4.924 -4.954 1.00 0.00 C ATOM 1468 CD2 LEU A 95 -15.894 5.122 -3.745 1.00 0.00 C ATOM 0 H LEU A 95 -13.946 4.798 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 95 -15.449 2.514 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.736 5.519 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -16.946 4.392 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.067 3.336 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.206 4.826 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.166 4.353 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -13.735 5.974 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -15.353 5.031 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.990 6.175 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -16.886 4.683 -3.638 1.00 0.00 H new ATOM 1480 N GLU A 96 -17.373 2.556 -8.428 1.00 0.00 N ATOM 1481 CA GLU A 96 -18.421 2.498 -9.434 1.00 0.00 C ATOM 1482 C GLU A 96 -19.508 3.513 -9.112 1.00 0.00 C ATOM 1483 O GLU A 96 -19.840 4.369 -9.933 1.00 0.00 O ATOM 1484 CB GLU A 96 -19.027 1.100 -9.490 1.00 0.00 C ATOM 1485 CG GLU A 96 -18.018 0.000 -9.754 1.00 0.00 C ATOM 1486 CD GLU A 96 -18.632 -1.373 -9.616 1.00 0.00 C ATOM 1487 OE1 GLU A 96 -18.768 -1.848 -8.470 1.00 0.00 O ATOM 1488 OE2 GLU A 96 -19.010 -1.968 -10.644 1.00 0.00 O ATOM 0 H GLU A 96 -17.378 1.779 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.983 2.733 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -19.532 0.896 -8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -19.788 1.076 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.609 0.116 -10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.185 0.097 -9.058 1.00 0.00 H new ATOM 1495 N HIS A 97 -20.053 3.411 -7.908 1.00 0.00 N ATOM 1496 CA HIS A 97 -21.106 4.308 -7.462 1.00 0.00 C ATOM 1497 C HIS A 97 -20.587 5.228 -6.363 1.00 0.00 C ATOM 1498 O HIS A 97 -19.740 4.832 -5.560 1.00 0.00 O ATOM 1499 CB HIS A 97 -22.311 3.502 -6.956 1.00 0.00 C ATOM 1500 CG HIS A 97 -23.487 4.348 -6.561 1.00 0.00 C ATOM 1501 ND1 HIS A 97 -23.896 4.510 -5.255 1.00 0.00 N ATOM 1502 CD2 HIS A 97 -24.335 5.090 -7.313 1.00 0.00 C ATOM 1503 CE1 HIS A 97 -24.940 5.315 -5.222 1.00 0.00 C ATOM 1504 NE2 HIS A 97 -25.226 5.682 -6.456 1.00 0.00 N ATOM 0 H HIS A 97 -19.780 2.710 -7.219 1.00 0.00 H new ATOM 0 HA HIS A 97 -21.424 4.919 -8.306 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -22.622 2.805 -7.734 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -22.002 2.904 -6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -24.313 5.195 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -25.472 5.622 -4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -25.986 6.305 -6.728 1.00 0.00 H new ATOM 1513 N HIS A 98 -21.088 6.456 -6.349 1.00 0.00 N ATOM 1514 CA HIS A 98 -20.725 7.435 -5.331 1.00 0.00 C ATOM 1515 C HIS A 98 -21.227 6.977 -3.963 1.00 0.00 C ATOM 1516 O HIS A 98 -22.398 7.152 -3.628 1.00 0.00 O ATOM 1517 CB HIS A 98 -21.319 8.801 -5.693 1.00 0.00 C ATOM 1518 CG HIS A 98 -20.636 9.959 -5.037 1.00 0.00 C ATOM 1519 ND1 HIS A 98 -21.231 10.744 -4.074 1.00 0.00 N ATOM 1520 CD2 HIS A 98 -19.402 10.480 -5.233 1.00 0.00 C ATOM 1521 CE1 HIS A 98 -20.391 11.696 -3.707 1.00 0.00 C ATOM 1522 NE2 HIS A 98 -19.274 11.560 -4.397 1.00 0.00 N ATOM 0 H HIS A 98 -21.755 6.801 -7.039 1.00 0.00 H new ATOM 0 HA HIS A 98 -19.640 7.525 -5.288 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -21.272 8.930 -6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -22.373 8.811 -5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.655 10.113 -5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.586 12.458 -2.967 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -18.452 12.159 -4.321 1.00 0.00 H new ATOM 1531 N HIS A 99 -20.338 6.372 -3.189 1.00 0.00 N ATOM 1532 CA HIS A 99 -20.714 5.773 -1.918 1.00 0.00 C ATOM 1533 C HIS A 99 -20.345 6.693 -0.755 1.00 0.00 C ATOM 1534 O HIS A 99 -19.290 7.324 -0.762 1.00 0.00 O ATOM 1535 CB HIS A 99 -20.019 4.414 -1.760 1.00 0.00 C ATOM 1536 CG HIS A 99 -20.725 3.453 -0.848 1.00 0.00 C ATOM 1537 ND1 HIS A 99 -21.099 2.190 -1.245 1.00 0.00 N ATOM 1538 CD2 HIS A 99 -21.111 3.564 0.444 1.00 0.00 C ATOM 1539 CE1 HIS A 99 -21.685 1.569 -0.241 1.00 0.00 C ATOM 1540 NE2 HIS A 99 -21.704 2.379 0.798 1.00 0.00 N ATOM 0 H HIS A 99 -19.349 6.283 -3.420 1.00 0.00 H new ATOM 0 HA HIS A 99 -21.794 5.628 -1.907 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -19.920 3.955 -2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -19.010 4.579 -1.382 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -20.977 4.427 1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -22.083 0.565 -0.266 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.095 2.161 1.714 1.00 0.00 H new ATOM 1549 N HIS A 100 -21.235 6.769 0.225 1.00 0.00 N ATOM 1550 CA HIS A 100 -21.003 7.551 1.438 1.00 0.00 C ATOM 1551 C HIS A 100 -20.144 6.740 2.406 1.00 0.00 C ATOM 1552 O HIS A 100 -20.295 5.523 2.495 1.00 0.00 O ATOM 1553 CB HIS A 100 -22.354 7.897 2.082 1.00 0.00 C ATOM 1554 CG HIS A 100 -22.323 9.043 3.052 1.00 0.00 C ATOM 1555 ND1 HIS A 100 -22.962 10.239 2.806 1.00 0.00 N ATOM 1556 CD2 HIS A 100 -21.763 9.165 4.279 1.00 0.00 C ATOM 1557 CE1 HIS A 100 -22.794 11.047 3.836 1.00 0.00 C ATOM 1558 NE2 HIS A 100 -22.070 10.419 4.742 1.00 0.00 N ATOM 0 H HIS A 100 -22.137 6.293 0.205 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.480 8.475 1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -23.067 8.130 1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -22.729 7.014 2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -21.183 8.415 4.796 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -23.183 12.051 3.922 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -21.784 10.804 5.642 1.00 0.00 H new ATOM 1567 N HIS A 101 -19.232 7.398 3.113 1.00 0.00 N ATOM 1568 CA HIS A 101 -18.377 6.695 4.070 1.00 0.00 C ATOM 1569 C HIS A 101 -19.205 6.119 5.218 1.00 0.00 C ATOM 1570 O HIS A 101 -20.302 6.601 5.505 1.00 0.00 O ATOM 1571 CB HIS A 101 -17.270 7.609 4.626 1.00 0.00 C ATOM 1572 CG HIS A 101 -17.755 8.763 5.462 1.00 0.00 C ATOM 1573 ND1 HIS A 101 -17.793 10.059 5.000 1.00 0.00 N ATOM 1574 CD2 HIS A 101 -18.202 8.813 6.742 1.00 0.00 C ATOM 1575 CE1 HIS A 101 -18.240 10.854 5.955 1.00 0.00 C ATOM 1576 NE2 HIS A 101 -18.496 10.122 7.019 1.00 0.00 N ATOM 0 H HIS A 101 -19.065 8.402 3.046 1.00 0.00 H new ATOM 0 HA HIS A 101 -17.899 5.876 3.532 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -16.590 7.006 5.227 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -16.692 8.004 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -18.307 7.976 7.417 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -18.373 11.923 5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.855 10.473 7.907 1.00 0.00 H new ATOM 1585 N HIS A 102 -18.679 5.088 5.867 1.00 0.00 N ATOM 1586 CA HIS A 102 -19.355 4.484 7.005 1.00 0.00 C ATOM 1587 C HIS A 102 -19.173 5.353 8.240 1.00 0.00 C ATOM 1588 O HIS A 102 -20.142 6.018 8.648 1.00 0.00 O ATOM 1589 CB HIS A 102 -18.832 3.071 7.283 1.00 0.00 C ATOM 1590 CG HIS A 102 -19.245 2.055 6.261 1.00 0.00 C ATOM 1591 ND1 HIS A 102 -20.558 1.724 6.018 1.00 0.00 N ATOM 1592 CD2 HIS A 102 -18.507 1.290 5.424 1.00 0.00 C ATOM 1593 CE1 HIS A 102 -20.612 0.800 5.076 1.00 0.00 C ATOM 1594 NE2 HIS A 102 -19.381 0.517 4.697 1.00 0.00 N ATOM 1595 OXT HIS A 102 -18.051 5.385 8.780 1.00 0.00 O ATOM 0 H HIS A 102 -17.788 4.654 5.625 1.00 0.00 H new ATOM 0 HA HIS A 102 -20.415 4.410 6.763 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -17.743 3.101 7.331 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -19.186 2.750 8.263 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -17.430 1.287 5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -21.512 0.352 4.682 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -19.120 -0.163 3.983 1.00 0.00 H new TER 1604 HIS A 102