USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 39 HIS : no HE2:sc= -4.84! C(o=-9.5!,f=-26!) USER MOD Set 1.2: A 89 CYS SG : rot -116:sc= -2.32! USER MOD Set 1.3: A 92 HIS : no HD1:sc= -1.43 K(o=-9.5,f=-20!) USER MOD Set 1.4: A 97 MET CE :methyl -143:sc= -0.884 (180deg=-1.71) USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc= -0.867 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -177:sc= -1.21 (180deg=-1.28) USER MOD Set 3.1: A 73 SER OG : rot 45:sc= 1.84 USER MOD Set 3.2: A 75 THR OG1 : rot 90:sc= 0.194 USER MOD Set 4.1: A 67 SER OG : rot 46:sc= 1.99 USER MOD Set 4.2: A 70 GLN : amide:sc= 0.979 K(o=3,f=1.1) USER MOD Set 5.1: A 57 LYS NZ :NH3+ 149:sc= -2.79! (180deg=-6.53!) USER MOD Set 5.2: A 60 SER OG : rot -10:sc= 1.09 USER MOD Set 6.1: A 48 ASN : amide:sc= -7.05! C(o=-7!,f=-18!) USER MOD Set 6.2: A 51 LYS NZ :NH3+ -103:sc= 0.0279 (180deg=-5.11!) USER MOD Set 7.1: A 20 LYS NZ :NH3+ 150:sc= -1.43! (180deg=-2.36!) USER MOD Set 7.2: A 22 THR OG1 : rot 180:sc= 0.405 USER MOD Set 7.3: A 102 THR OG1 : rot 133:sc= 1.29 USER MOD Set 8.1: A 3 TYR OH : rot 142:sc= 1.27 USER MOD Set 8.2: A 24 LYS NZ :NH3+ -115:sc= 1.45 (180deg=-1.2!) USER MOD Single : A 1 GLU N :NH3+ 134:sc= -7.51! (180deg=-11.4!) USER MOD Single : A 2 THR OG1 : rot 13:sc= -0.689! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -106:sc= -1.45! (180deg=-5.62!) USER MOD Single : A 9 SER OG : rot 13:sc= -1.26 USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.11 (180deg=-0.647) USER MOD Single : A 28 THR OG1 : rot 160:sc= 0.459 USER MOD Single : A 33 ASN : amide:sc= 0.858 K(o=0.86,f=-6.3!) USER MOD Single : A 34 ASN : amide:sc= -3.12! C(o=-3.1!,f=-10!) USER MOD Single : A 35 LYS NZ :NH3+ -110:sc= -5.42! (180deg=-9.4!) USER MOD Single : A 40 ASN : amide:sc= -0.716 K(o=-0.72,f=-9!) USER MOD Single : A 52 SER OG : rot 170:sc= 0.505 USER MOD Single : A 58 SER OG : rot 91:sc= 1.11 USER MOD Single : A 61 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-3.9!) USER MOD Single : A 62 LYS NZ :NH3+ -135:sc= -1.37! (180deg=-2.61!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 43:sc= 1 USER MOD Single : A 72 THR OG1 : rot 54:sc= -0.319 USER MOD Single : A 74 THR OG1 : rot -179:sc= -0.166 USER MOD Single : A 85 TYR OH : rot 49:sc= 0.437 USER MOD Single : A 88 TYR OH : rot 165:sc= -0.854 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.824 -1.095 -18.356 1.00 0.00 N ATOM 2 CA GLU A 1 -2.302 -0.856 -18.493 1.00 0.00 C ATOM 3 C GLU A 1 -3.182 -1.493 -17.395 1.00 0.00 C ATOM 4 O GLU A 1 -4.311 -1.882 -17.629 1.00 0.00 O ATOM 5 CB GLU A 1 -2.804 -1.407 -19.874 1.00 0.00 C ATOM 6 CG GLU A 1 -2.556 -2.975 -20.000 1.00 0.00 C ATOM 7 CD GLU A 1 -1.219 -3.362 -19.442 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.267 -3.207 -20.162 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.211 -3.742 -18.296 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.431 -1.374 -19.277 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.360 -0.223 -18.031 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.658 -1.854 -17.665 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.411 0.225 -18.402 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -3.867 -1.195 -19.987 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.288 -0.890 -20.683 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.343 -3.513 -19.471 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -2.615 -3.272 -21.047 1.00 0.00 H new ATOM 18 N THR A 2 -2.679 -1.577 -16.203 1.00 0.00 N ATOM 19 CA THR A 2 -3.516 -2.188 -15.113 1.00 0.00 C ATOM 20 C THR A 2 -4.658 -1.278 -14.631 1.00 0.00 C ATOM 21 O THR A 2 -4.980 -0.231 -15.150 1.00 0.00 O ATOM 22 CB THR A 2 -2.588 -2.540 -13.919 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.286 -3.608 -13.323 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.646 -1.673 -12.640 1.00 0.00 C ATOM 0 H THR A 2 -1.749 -1.261 -15.927 1.00 0.00 H new ATOM 0 HA THR A 2 -3.991 -3.078 -15.526 1.00 0.00 H new ATOM 0 HB THR A 2 -1.585 -2.566 -14.346 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.986 -3.922 -13.933 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.935 -2.056 -11.908 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.392 -0.642 -12.887 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.652 -1.708 -12.222 1.00 0.00 H new ATOM 32 N TYR A 3 -5.227 -1.758 -13.585 1.00 0.00 N ATOM 33 CA TYR A 3 -6.372 -1.158 -12.828 1.00 0.00 C ATOM 34 C TYR A 3 -5.576 -0.129 -11.977 1.00 0.00 C ATOM 35 O TYR A 3 -5.357 -0.269 -10.790 1.00 0.00 O ATOM 36 CB TYR A 3 -7.019 -2.367 -12.038 1.00 0.00 C ATOM 37 CG TYR A 3 -6.771 -3.622 -12.900 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.518 -3.965 -14.008 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.696 -4.405 -12.579 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.174 -5.074 -14.776 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.365 -5.488 -13.335 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.088 -5.838 -14.430 1.00 0.00 C ATOM 43 OH TYR A 3 -5.716 -6.957 -15.138 1.00 0.00 O ATOM 0 H TYR A 3 -4.918 -2.638 -13.172 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.202 -0.677 -13.346 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.566 -2.475 -11.052 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.086 -2.205 -11.883 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.376 -3.369 -14.282 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.100 -4.160 -11.712 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.762 -5.333 -15.644 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.507 -6.083 -13.057 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.738 -7.005 -15.184 1.00 0.00 H new ATOM 53 N THR A 4 -5.153 0.891 -12.671 1.00 0.00 N ATOM 54 CA THR A 4 -4.339 2.032 -12.103 1.00 0.00 C ATOM 55 C THR A 4 -4.781 2.591 -10.757 1.00 0.00 C ATOM 56 O THR A 4 -5.951 2.823 -10.525 1.00 0.00 O ATOM 57 CB THR A 4 -4.312 3.226 -13.092 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.627 3.755 -13.118 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.220 2.834 -14.548 1.00 0.00 C ATOM 0 H THR A 4 -5.345 0.994 -13.667 1.00 0.00 H new ATOM 0 HA THR A 4 -3.363 1.572 -11.947 1.00 0.00 H new ATOM 0 HB THR A 4 -3.477 3.846 -12.767 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.661 4.518 -13.732 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.207 3.732 -15.166 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.305 2.265 -14.715 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.082 2.222 -14.815 1.00 0.00 H new ATOM 67 N VAL A 5 -3.816 2.805 -9.907 1.00 0.00 N ATOM 68 CA VAL A 5 -4.109 3.358 -8.544 1.00 0.00 C ATOM 69 C VAL A 5 -3.540 4.794 -8.422 1.00 0.00 C ATOM 70 O VAL A 5 -2.537 5.140 -9.026 1.00 0.00 O ATOM 71 CB VAL A 5 -3.480 2.369 -7.513 1.00 0.00 C ATOM 72 CG1 VAL A 5 -1.965 2.304 -7.675 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.772 2.822 -6.073 1.00 0.00 C ATOM 0 H VAL A 5 -2.830 2.621 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.179 3.442 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.923 1.391 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.551 1.608 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.721 1.963 -8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.539 3.294 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.324 2.118 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.350 3.814 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.850 2.856 -5.914 1.00 0.00 H new ATOM 83 N LYS A 6 -4.194 5.590 -7.628 1.00 0.00 N ATOM 84 CA LYS A 6 -3.758 7.013 -7.422 1.00 0.00 C ATOM 85 C LYS A 6 -3.188 7.284 -6.012 1.00 0.00 C ATOM 86 O LYS A 6 -3.857 7.106 -5.012 1.00 0.00 O ATOM 87 CB LYS A 6 -4.988 7.913 -7.675 1.00 0.00 C ATOM 88 CG LYS A 6 -5.545 7.749 -9.113 1.00 0.00 C ATOM 89 CD LYS A 6 -6.991 8.357 -9.144 1.00 0.00 C ATOM 90 CE LYS A 6 -7.066 9.830 -8.732 1.00 0.00 C ATOM 91 NZ LYS A 6 -6.335 10.629 -9.751 1.00 0.00 N ATOM 0 H LYS A 6 -5.025 5.319 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.945 7.227 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.769 7.670 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.714 8.955 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.902 8.258 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.568 6.696 -9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.394 8.253 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.632 7.774 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.104 10.155 -8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.624 9.973 -7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.425 10.944 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.164 10.044 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.904 11.459 -10.015 1.00 0.00 H new ATOM 105 N LEU A 7 -1.967 7.720 -5.945 1.00 0.00 N ATOM 106 CA LEU A 7 -1.351 8.009 -4.608 1.00 0.00 C ATOM 107 C LEU A 7 -1.349 9.542 -4.395 1.00 0.00 C ATOM 108 O LEU A 7 -0.482 10.309 -4.763 1.00 0.00 O ATOM 109 CB LEU A 7 0.095 7.395 -4.560 1.00 0.00 C ATOM 110 CG LEU A 7 0.789 7.448 -5.896 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.248 7.684 -5.672 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.654 6.098 -6.591 1.00 0.00 C ATOM 0 H LEU A 7 -1.363 7.891 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.922 7.554 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.691 7.934 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.035 6.359 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 7 0.346 8.240 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.762 7.724 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.387 8.628 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.660 6.871 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.156 6.135 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.111 5.324 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.401 5.869 -6.738 1.00 0.00 H new ATOM 124 N GLY A 8 -2.424 9.905 -3.757 1.00 0.00 N ATOM 125 CA GLY A 8 -2.769 11.322 -3.380 1.00 0.00 C ATOM 126 C GLY A 8 -4.197 11.642 -3.830 1.00 0.00 C ATOM 127 O GLY A 8 -4.446 12.707 -4.353 1.00 0.00 O ATOM 0 H GLY A 8 -3.131 9.233 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.679 11.454 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.067 12.014 -3.846 1.00 0.00 H new ATOM 131 N SER A 9 -5.056 10.682 -3.614 1.00 0.00 N ATOM 132 CA SER A 9 -6.533 10.736 -3.962 1.00 0.00 C ATOM 133 C SER A 9 -7.198 12.078 -4.334 1.00 0.00 C ATOM 134 O SER A 9 -8.020 12.625 -3.622 1.00 0.00 O ATOM 135 CB SER A 9 -7.298 10.115 -2.798 1.00 0.00 C ATOM 136 OG SER A 9 -6.924 8.743 -2.894 1.00 0.00 O ATOM 0 H SER A 9 -4.785 9.799 -3.182 1.00 0.00 H new ATOM 0 HA SER A 9 -6.584 10.198 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.009 10.550 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.375 10.252 -2.898 1.00 0.00 H new ATOM 0 HG SER A 9 -6.165 8.653 -3.507 1.00 0.00 H new ATOM 142 N ASP A 10 -6.795 12.552 -5.473 1.00 0.00 N ATOM 143 CA ASP A 10 -7.249 13.832 -6.107 1.00 0.00 C ATOM 144 C ASP A 10 -8.298 14.779 -5.450 1.00 0.00 C ATOM 145 O ASP A 10 -8.051 15.969 -5.353 1.00 0.00 O ATOM 146 CB ASP A 10 -7.699 13.407 -7.550 1.00 0.00 C ATOM 147 CG ASP A 10 -6.558 13.047 -8.430 1.00 0.00 C ATOM 148 OD1 ASP A 10 -5.520 12.651 -7.967 1.00 0.00 O ATOM 149 OD2 ASP A 10 -6.716 13.185 -9.613 1.00 0.00 O ATOM 0 H ASP A 10 -6.107 12.061 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.396 14.504 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.377 12.557 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.259 14.224 -8.006 1.00 0.00 H new ATOM 154 N LYS A 11 -9.418 14.256 -5.044 1.00 0.00 N ATOM 155 CA LYS A 11 -10.483 15.108 -4.406 1.00 0.00 C ATOM 156 C LYS A 11 -10.806 14.832 -2.903 1.00 0.00 C ATOM 157 O LYS A 11 -11.658 15.500 -2.339 1.00 0.00 O ATOM 158 CB LYS A 11 -11.717 14.922 -5.336 1.00 0.00 C ATOM 159 CG LYS A 11 -13.004 15.720 -4.942 1.00 0.00 C ATOM 160 CD LYS A 11 -12.813 17.286 -5.044 1.00 0.00 C ATOM 161 CE LYS A 11 -12.173 17.941 -3.810 1.00 0.00 C ATOM 162 NZ LYS A 11 -13.058 17.623 -2.649 1.00 0.00 N ATOM 0 H LYS A 11 -9.653 13.267 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.134 16.138 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.431 15.211 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.967 13.861 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.826 15.416 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.289 15.460 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.196 17.506 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.786 17.746 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.166 17.557 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.085 19.019 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.080 18.433 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.021 17.426 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.690 16.788 -2.150 1.00 0.00 H new ATOM 176 N GLY A 12 -10.144 13.895 -2.284 1.00 0.00 N ATOM 177 CA GLY A 12 -10.409 13.567 -0.824 1.00 0.00 C ATOM 178 C GLY A 12 -9.239 13.764 0.143 1.00 0.00 C ATOM 179 O GLY A 12 -9.250 14.684 0.929 1.00 0.00 O ATOM 0 H GLY A 12 -9.418 13.326 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.242 14.182 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.733 12.528 -0.761 1.00 0.00 H new ATOM 183 N LEU A 13 -8.260 12.909 0.080 1.00 0.00 N ATOM 184 CA LEU A 13 -7.073 13.031 1.002 1.00 0.00 C ATOM 185 C LEU A 13 -5.765 12.507 0.355 1.00 0.00 C ATOM 186 O LEU A 13 -5.777 12.012 -0.753 1.00 0.00 O ATOM 187 CB LEU A 13 -7.484 12.253 2.291 1.00 0.00 C ATOM 188 CG LEU A 13 -6.406 12.258 3.395 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.088 13.698 3.815 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.014 11.573 4.615 1.00 0.00 C ATOM 0 H LEU A 13 -8.220 12.124 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.839 14.070 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.400 12.688 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.711 11.221 2.024 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.504 11.765 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.326 13.690 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.720 14.255 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.992 14.174 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.283 11.554 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.898 12.123 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.296 10.552 4.357 1.00 0.00 H new ATOM 202 N LEU A 14 -4.650 12.591 1.022 1.00 0.00 N ATOM 203 CA LEU A 14 -3.379 12.082 0.396 1.00 0.00 C ATOM 204 C LEU A 14 -3.220 10.547 0.611 1.00 0.00 C ATOM 205 O LEU A 14 -2.263 10.065 1.181 1.00 0.00 O ATOM 206 CB LEU A 14 -2.205 12.884 1.025 1.00 0.00 C ATOM 207 CG LEU A 14 -2.306 14.390 0.698 1.00 0.00 C ATOM 208 CD1 LEU A 14 -1.078 15.068 1.296 1.00 0.00 C ATOM 209 CD2 LEU A 14 -2.256 14.619 -0.820 1.00 0.00 C ATOM 0 H LEU A 14 -4.553 12.982 1.959 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.394 12.230 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.207 12.745 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.257 12.493 0.655 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.241 14.785 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.114 16.137 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.065 14.911 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.176 14.641 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.329 15.686 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.316 14.235 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.088 14.099 -1.294 1.00 0.00 H new ATOM 221 N VAL A 15 -4.193 9.828 0.122 1.00 0.00 N ATOM 222 CA VAL A 15 -4.216 8.321 0.235 1.00 0.00 C ATOM 223 C VAL A 15 -4.052 7.582 -1.122 1.00 0.00 C ATOM 224 O VAL A 15 -3.782 8.195 -2.135 1.00 0.00 O ATOM 225 CB VAL A 15 -5.565 7.920 0.928 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.677 8.640 2.271 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.777 8.328 0.088 1.00 0.00 C ATOM 0 H VAL A 15 -4.998 10.222 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.354 8.011 0.826 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.559 6.837 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.614 8.363 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.841 8.353 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.657 9.718 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.692 8.033 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.773 9.409 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.730 7.834 -0.882 1.00 0.00 H new ATOM 237 N PHE A 16 -4.225 6.290 -1.101 1.00 0.00 N ATOM 238 CA PHE A 16 -4.097 5.426 -2.335 1.00 0.00 C ATOM 239 C PHE A 16 -5.424 4.920 -2.995 1.00 0.00 C ATOM 240 O PHE A 16 -5.567 3.724 -3.160 1.00 0.00 O ATOM 241 CB PHE A 16 -3.223 4.184 -1.951 1.00 0.00 C ATOM 242 CG PHE A 16 -1.714 4.388 -1.837 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.067 5.588 -2.003 1.00 0.00 C ATOM 244 CD2 PHE A 16 -0.970 3.265 -1.576 1.00 0.00 C ATOM 245 CE1 PHE A 16 0.310 5.651 -1.910 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.397 3.318 -1.481 1.00 0.00 C ATOM 247 CZ PHE A 16 1.041 4.513 -1.650 1.00 0.00 C ATOM 0 H PHE A 16 -4.458 5.769 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.654 6.071 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.583 3.802 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.401 3.406 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.635 6.484 -2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.472 2.318 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.815 6.596 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.962 2.421 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.118 4.564 -1.580 1.00 0.00 H new ATOM 257 N GLU A 17 -6.376 5.733 -3.368 1.00 0.00 N ATOM 258 CA GLU A 17 -7.610 5.123 -3.994 1.00 0.00 C ATOM 259 C GLU A 17 -7.310 4.213 -5.256 1.00 0.00 C ATOM 260 O GLU A 17 -6.495 4.555 -6.098 1.00 0.00 O ATOM 261 CB GLU A 17 -8.555 6.324 -4.323 1.00 0.00 C ATOM 262 CG GLU A 17 -7.919 7.338 -5.355 1.00 0.00 C ATOM 263 CD GLU A 17 -8.636 8.687 -5.427 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.423 8.971 -4.549 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.332 9.381 -6.373 1.00 0.00 O ATOM 0 H GLU A 17 -6.368 6.749 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.079 4.425 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.493 5.943 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.796 6.854 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.876 7.507 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.924 6.883 -6.345 1.00 0.00 H new ATOM 272 N PRO A 18 -7.958 3.062 -5.369 1.00 0.00 N ATOM 273 CA PRO A 18 -8.982 2.477 -4.423 1.00 0.00 C ATOM 274 C PRO A 18 -8.484 1.527 -3.266 1.00 0.00 C ATOM 275 O PRO A 18 -9.215 0.683 -2.792 1.00 0.00 O ATOM 276 CB PRO A 18 -9.914 1.803 -5.408 1.00 0.00 C ATOM 277 CG PRO A 18 -8.893 1.130 -6.380 1.00 0.00 C ATOM 278 CD PRO A 18 -7.750 2.171 -6.547 1.00 0.00 C ATOM 0 HA PRO A 18 -9.422 3.247 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.565 1.074 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.559 2.518 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.517 0.193 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.356 0.895 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.767 1.701 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.830 2.715 -7.488 1.00 0.00 H new ATOM 286 N ALA A 19 -7.261 1.690 -2.845 1.00 0.00 N ATOM 287 CA ALA A 19 -6.588 0.896 -1.748 1.00 0.00 C ATOM 288 C ALA A 19 -6.311 -0.614 -2.011 1.00 0.00 C ATOM 289 O ALA A 19 -5.196 -1.081 -1.843 1.00 0.00 O ATOM 290 CB ALA A 19 -7.458 1.087 -0.462 1.00 0.00 C ATOM 0 H ALA A 19 -6.645 2.398 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.576 1.292 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.014 0.531 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.501 2.146 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.467 0.717 -0.647 1.00 0.00 H new ATOM 296 N LYS A 20 -7.327 -1.321 -2.410 1.00 0.00 N ATOM 297 CA LYS A 20 -7.199 -2.797 -2.698 1.00 0.00 C ATOM 298 C LYS A 20 -7.383 -3.202 -4.190 1.00 0.00 C ATOM 299 O LYS A 20 -8.425 -3.021 -4.788 1.00 0.00 O ATOM 300 CB LYS A 20 -8.241 -3.520 -1.794 1.00 0.00 C ATOM 301 CG LYS A 20 -8.091 -5.057 -1.974 1.00 0.00 C ATOM 302 CD LYS A 20 -9.015 -5.784 -0.943 1.00 0.00 C ATOM 303 CE LYS A 20 -8.927 -7.304 -1.113 1.00 0.00 C ATOM 304 NZ LYS A 20 -7.513 -7.675 -0.868 1.00 0.00 N ATOM 0 H LYS A 20 -8.263 -0.942 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.174 -3.095 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.087 -3.247 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.251 -3.207 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.361 -5.345 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.053 -5.354 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.724 -5.509 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.046 -5.457 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.588 -7.812 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.238 -7.601 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.470 -8.636 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.986 -7.644 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.090 -7.005 -0.194 1.00 0.00 H new ATOM 318 N LEU A 21 -6.346 -3.752 -4.752 1.00 0.00 N ATOM 319 CA LEU A 21 -6.362 -4.200 -6.188 1.00 0.00 C ATOM 320 C LEU A 21 -6.262 -5.732 -6.375 1.00 0.00 C ATOM 321 O LEU A 21 -5.195 -6.290 -6.217 1.00 0.00 O ATOM 322 CB LEU A 21 -5.174 -3.566 -6.934 1.00 0.00 C ATOM 323 CG LEU A 21 -5.302 -3.697 -8.513 1.00 0.00 C ATOM 324 CD1 LEU A 21 -3.883 -3.733 -9.080 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.071 -4.955 -9.047 1.00 0.00 C ATOM 0 H LEU A 21 -5.462 -3.918 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.326 -3.880 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.102 -2.512 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.249 -4.042 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.897 -2.843 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.927 -3.823 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.361 -2.814 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.348 -4.588 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.092 -4.933 -10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.565 -5.860 -8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.091 -4.947 -8.664 1.00 0.00 H new ATOM 337 N THR A 22 -7.316 -6.418 -6.703 1.00 0.00 N ATOM 338 CA THR A 22 -7.156 -7.911 -6.892 1.00 0.00 C ATOM 339 C THR A 22 -6.721 -8.142 -8.358 1.00 0.00 C ATOM 340 O THR A 22 -7.476 -8.010 -9.304 1.00 0.00 O ATOM 341 CB THR A 22 -8.484 -8.638 -6.613 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.646 -8.603 -5.198 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.377 -10.139 -6.837 1.00 0.00 C ATOM 0 H THR A 22 -8.253 -6.043 -6.847 1.00 0.00 H new ATOM 0 HA THR A 22 -6.413 -8.305 -6.198 1.00 0.00 H new ATOM 0 HB THR A 22 -9.252 -8.179 -7.236 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.482 -9.053 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.339 -10.608 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.097 -10.333 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.619 -10.553 -6.172 1.00 0.00 H new ATOM 351 N ILE A 23 -5.471 -8.476 -8.512 1.00 0.00 N ATOM 352 CA ILE A 23 -4.859 -8.733 -9.852 1.00 0.00 C ATOM 353 C ILE A 23 -4.750 -10.208 -10.232 1.00 0.00 C ATOM 354 O ILE A 23 -5.119 -11.083 -9.469 1.00 0.00 O ATOM 355 CB ILE A 23 -3.429 -8.163 -9.930 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.498 -8.843 -8.916 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.450 -6.692 -9.695 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.099 -8.948 -9.546 1.00 0.00 C ATOM 0 H ILE A 23 -4.821 -8.586 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.543 -8.241 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.043 -8.364 -10.929 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.457 -8.267 -7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.874 -9.833 -8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.435 -6.300 -9.752 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.068 -6.211 -10.453 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.863 -6.487 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.419 -9.429 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.155 -9.540 -10.460 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.731 -7.950 -9.783 1.00 0.00 H new ATOM 370 N LYS A 24 -4.209 -10.427 -11.400 1.00 0.00 N ATOM 371 CA LYS A 24 -4.064 -11.828 -11.865 1.00 0.00 C ATOM 372 C LYS A 24 -2.667 -12.388 -11.443 1.00 0.00 C ATOM 373 O LYS A 24 -1.770 -11.613 -11.167 1.00 0.00 O ATOM 374 CB LYS A 24 -4.172 -11.928 -13.448 1.00 0.00 C ATOM 375 CG LYS A 24 -5.167 -10.959 -14.131 1.00 0.00 C ATOM 376 CD LYS A 24 -6.524 -10.998 -13.392 1.00 0.00 C ATOM 377 CE LYS A 24 -7.361 -9.805 -13.654 1.00 0.00 C ATOM 378 NZ LYS A 24 -6.590 -8.672 -13.080 1.00 0.00 N ATOM 0 H LYS A 24 -3.868 -9.709 -12.039 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.868 -12.406 -11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.182 -11.755 -13.870 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.455 -12.948 -13.708 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.766 -9.945 -14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.303 -11.239 -15.176 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.070 -11.892 -13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.345 -11.081 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.532 -9.667 -14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.340 -9.897 -13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.118 -8.261 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.667 -9.015 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.444 -7.946 -13.810 1.00 0.00 H new ATOM 392 N PRO A 25 -2.487 -13.688 -11.402 1.00 0.00 N ATOM 393 CA PRO A 25 -1.136 -14.335 -11.243 1.00 0.00 C ATOM 394 C PRO A 25 -0.059 -13.854 -12.265 1.00 0.00 C ATOM 395 O PRO A 25 0.337 -14.595 -13.142 1.00 0.00 O ATOM 396 CB PRO A 25 -1.486 -15.844 -11.324 1.00 0.00 C ATOM 397 CG PRO A 25 -2.796 -15.841 -12.163 1.00 0.00 C ATOM 398 CD PRO A 25 -3.576 -14.698 -11.526 1.00 0.00 C ATOM 0 HA PRO A 25 -0.640 -14.065 -10.311 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.696 -16.418 -11.807 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.638 -16.279 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.603 -15.664 -13.221 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.329 -16.789 -12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.397 -14.352 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.005 -14.971 -10.562 1.00 0.00 H new ATOM 406 N GLY A 26 0.383 -12.628 -12.136 1.00 0.00 N ATOM 407 CA GLY A 26 1.430 -12.072 -13.087 1.00 0.00 C ATOM 408 C GLY A 26 0.844 -10.981 -13.983 1.00 0.00 C ATOM 409 O GLY A 26 1.054 -10.934 -15.176 1.00 0.00 O ATOM 0 H GLY A 26 0.071 -11.977 -11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.265 -11.666 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.828 -12.877 -13.704 1.00 0.00 H new ATOM 413 N ASP A 27 0.118 -10.126 -13.333 1.00 0.00 N ATOM 414 CA ASP A 27 -0.567 -8.967 -13.983 1.00 0.00 C ATOM 415 C ASP A 27 0.307 -7.664 -13.920 1.00 0.00 C ATOM 416 O ASP A 27 1.394 -7.619 -13.352 1.00 0.00 O ATOM 417 CB ASP A 27 -1.910 -8.938 -13.199 1.00 0.00 C ATOM 418 CG ASP A 27 -3.028 -8.075 -13.718 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.908 -7.356 -14.675 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.043 -8.199 -13.067 1.00 0.00 O ATOM 0 H ASP A 27 -0.040 -10.181 -12.327 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.733 -9.047 -15.057 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.281 -9.961 -13.140 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.692 -8.619 -12.180 1.00 0.00 H new ATOM 425 N THR A 28 -0.210 -6.628 -14.504 1.00 0.00 N ATOM 426 CA THR A 28 0.502 -5.310 -14.537 1.00 0.00 C ATOM 427 C THR A 28 0.146 -4.391 -13.387 1.00 0.00 C ATOM 428 O THR A 28 -0.916 -4.471 -12.815 1.00 0.00 O ATOM 429 CB THR A 28 0.172 -4.544 -15.815 1.00 0.00 C ATOM 430 OG1 THR A 28 0.611 -5.372 -16.868 1.00 0.00 O ATOM 431 CG2 THR A 28 1.114 -3.389 -16.079 1.00 0.00 C ATOM 0 H THR A 28 -1.116 -6.630 -14.973 1.00 0.00 H new ATOM 0 HA THR A 28 1.558 -5.571 -14.473 1.00 0.00 H new ATOM 0 HB THR A 28 -0.874 -4.247 -15.739 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.156 -5.115 -17.697 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.824 -2.887 -17.002 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.065 -2.683 -15.250 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.133 -3.765 -16.175 1.00 0.00 H new ATOM 439 N VAL A 29 1.047 -3.531 -13.029 1.00 0.00 N ATOM 440 CA VAL A 29 0.812 -2.556 -11.922 1.00 0.00 C ATOM 441 C VAL A 29 1.029 -1.089 -12.366 1.00 0.00 C ATOM 442 O VAL A 29 2.134 -0.813 -12.783 1.00 0.00 O ATOM 443 CB VAL A 29 1.763 -2.895 -10.768 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.491 -1.949 -9.581 1.00 0.00 C ATOM 445 CG2 VAL A 29 1.466 -4.306 -10.265 1.00 0.00 C ATOM 0 H VAL A 29 1.965 -3.456 -13.466 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.229 -2.640 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 29 2.788 -2.803 -11.126 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.167 -2.190 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.653 -0.917 -9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.460 -2.070 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.141 -4.549 -9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.435 -4.358 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.610 -5.019 -11.077 1.00 0.00 H new ATOM 455 N GLU A 30 0.048 -0.233 -12.278 1.00 0.00 N ATOM 456 CA GLU A 30 0.188 1.204 -12.688 1.00 0.00 C ATOM 457 C GLU A 30 0.089 2.164 -11.460 1.00 0.00 C ATOM 458 O GLU A 30 -0.969 2.320 -10.873 1.00 0.00 O ATOM 459 CB GLU A 30 -0.939 1.580 -13.702 1.00 0.00 C ATOM 460 CG GLU A 30 -1.283 0.426 -14.698 1.00 0.00 C ATOM 461 CD GLU A 30 -0.536 0.388 -16.001 1.00 0.00 C ATOM 462 OE1 GLU A 30 -0.764 1.217 -16.845 1.00 0.00 O ATOM 463 OE2 GLU A 30 0.239 -0.528 -16.119 1.00 0.00 O ATOM 0 H GLU A 30 -0.879 -0.475 -11.927 1.00 0.00 H new ATOM 0 HA GLU A 30 1.170 1.318 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.838 1.855 -13.150 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.631 2.459 -14.268 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.114 -0.521 -14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.348 0.482 -14.923 1.00 0.00 H new ATOM 470 N PHE A 31 1.177 2.787 -11.110 1.00 0.00 N ATOM 471 CA PHE A 31 1.235 3.745 -9.944 1.00 0.00 C ATOM 472 C PHE A 31 1.383 5.218 -10.413 1.00 0.00 C ATOM 473 O PHE A 31 2.411 5.594 -10.951 1.00 0.00 O ATOM 474 CB PHE A 31 2.452 3.384 -9.030 1.00 0.00 C ATOM 475 CG PHE A 31 2.252 2.149 -8.136 1.00 0.00 C ATOM 476 CD1 PHE A 31 1.209 2.085 -7.241 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.129 1.089 -8.199 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.045 0.983 -6.424 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.969 -0.014 -7.384 1.00 0.00 C ATOM 480 CZ PHE A 31 1.924 -0.067 -6.494 1.00 0.00 C ATOM 0 H PHE A 31 2.067 2.675 -11.595 1.00 0.00 H new ATOM 0 HA PHE A 31 0.298 3.651 -9.395 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.325 3.219 -9.662 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.676 4.241 -8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.510 2.906 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.954 1.121 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.221 0.948 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.666 -0.836 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.796 -0.928 -5.855 1.00 0.00 H new ATOM 490 N LEU A 32 0.373 6.023 -10.216 1.00 0.00 N ATOM 491 CA LEU A 32 0.441 7.458 -10.635 1.00 0.00 C ATOM 492 C LEU A 32 0.533 8.361 -9.375 1.00 0.00 C ATOM 493 O LEU A 32 -0.295 8.256 -8.492 1.00 0.00 O ATOM 494 CB LEU A 32 -0.833 7.716 -11.486 1.00 0.00 C ATOM 495 CG LEU A 32 -0.706 8.987 -12.364 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.891 9.009 -13.327 1.00 0.00 C ATOM 497 CD2 LEU A 32 -0.819 10.255 -11.519 1.00 0.00 C ATOM 0 H LEU A 32 -0.506 5.747 -9.778 1.00 0.00 H new ATOM 0 HA LEU A 32 1.324 7.690 -11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.022 6.853 -12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.694 7.818 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 32 0.259 8.962 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.829 9.894 -13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.870 8.115 -13.950 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.821 9.033 -12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.726 11.130 -12.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.787 10.274 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.024 10.267 -10.773 1.00 0.00 H new ATOM 509 N ASN A 33 1.511 9.230 -9.321 1.00 0.00 N ATOM 510 CA ASN A 33 1.683 10.145 -8.125 1.00 0.00 C ATOM 511 C ASN A 33 1.033 11.532 -8.351 1.00 0.00 C ATOM 512 O ASN A 33 1.641 12.577 -8.434 1.00 0.00 O ATOM 513 CB ASN A 33 3.227 10.225 -7.852 1.00 0.00 C ATOM 514 CG ASN A 33 3.951 11.129 -8.809 1.00 0.00 C ATOM 515 OD1 ASN A 33 3.743 11.131 -9.993 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.837 11.947 -8.373 1.00 0.00 N ATOM 0 H ASN A 33 2.209 9.354 -10.055 1.00 0.00 H new ATOM 0 HA ASN A 33 1.166 9.751 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.392 10.578 -6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.653 9.224 -7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.328 12.561 -9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.050 11.984 -7.376 1.00 0.00 H new ATOM 523 N ASN A 34 -0.256 11.446 -8.452 1.00 0.00 N ATOM 524 CA ASN A 34 -1.153 12.625 -8.677 1.00 0.00 C ATOM 525 C ASN A 34 -1.023 13.943 -7.836 1.00 0.00 C ATOM 526 O ASN A 34 -1.065 15.014 -8.410 1.00 0.00 O ATOM 527 CB ASN A 34 -2.601 12.048 -8.590 1.00 0.00 C ATOM 528 CG ASN A 34 -2.799 11.024 -7.481 1.00 0.00 C ATOM 529 OD1 ASN A 34 -2.232 9.964 -7.468 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.593 11.242 -6.506 1.00 0.00 N ATOM 0 H ASN A 34 -0.759 10.561 -8.385 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.835 13.034 -9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.299 12.871 -8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.854 11.587 -9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.714 10.537 -5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.107 12.121 -6.454 1.00 0.00 H new ATOM 537 N LYS A 35 -0.888 13.875 -6.537 1.00 0.00 N ATOM 538 CA LYS A 35 -0.764 15.135 -5.690 1.00 0.00 C ATOM 539 C LYS A 35 0.412 15.149 -4.654 1.00 0.00 C ATOM 540 O LYS A 35 1.205 14.239 -4.579 1.00 0.00 O ATOM 541 CB LYS A 35 -2.139 15.357 -4.934 1.00 0.00 C ATOM 542 CG LYS A 35 -3.144 16.306 -5.679 1.00 0.00 C ATOM 543 CD LYS A 35 -3.877 15.518 -6.807 1.00 0.00 C ATOM 544 CE LYS A 35 -4.954 16.363 -7.486 1.00 0.00 C ATOM 545 NZ LYS A 35 -5.566 15.488 -8.532 1.00 0.00 N ATOM 0 H LYS A 35 -0.856 13.003 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.527 15.942 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.617 14.389 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.934 15.769 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.870 16.708 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.609 17.155 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.151 15.189 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.331 14.621 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.703 16.692 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.523 17.260 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.294 15.832 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.228 14.512 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.602 15.510 -8.441 1.00 0.00 H new ATOM 559 N VAL A 36 0.472 16.206 -3.887 1.00 0.00 N ATOM 560 CA VAL A 36 1.514 16.453 -2.802 1.00 0.00 C ATOM 561 C VAL A 36 2.653 15.381 -2.567 1.00 0.00 C ATOM 562 O VAL A 36 2.388 14.333 -2.009 1.00 0.00 O ATOM 563 CB VAL A 36 0.716 16.679 -1.483 1.00 0.00 C ATOM 564 CG1 VAL A 36 1.654 17.069 -0.328 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.294 17.832 -1.642 1.00 0.00 C ATOM 0 H VAL A 36 -0.201 16.969 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 36 2.098 17.305 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 36 0.205 15.741 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.070 17.220 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.380 16.272 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.178 17.991 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.839 17.970 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.238 18.750 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.997 17.592 -2.440 1.00 0.00 H new ATOM 575 N PRO A 37 3.872 15.663 -2.990 1.00 0.00 N ATOM 576 CA PRO A 37 5.010 14.677 -2.928 1.00 0.00 C ATOM 577 C PRO A 37 5.647 14.332 -1.523 1.00 0.00 C ATOM 578 O PRO A 37 5.225 14.805 -0.483 1.00 0.00 O ATOM 579 CB PRO A 37 6.006 15.303 -3.917 1.00 0.00 C ATOM 580 CG PRO A 37 5.821 16.808 -3.647 1.00 0.00 C ATOM 581 CD PRO A 37 4.299 16.966 -3.587 1.00 0.00 C ATOM 0 HA PRO A 37 4.658 13.674 -3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.029 14.977 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.774 15.042 -4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.295 17.111 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.258 17.416 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.001 17.814 -2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.866 17.123 -4.575 1.00 0.00 H new ATOM 589 N PRO A 38 6.657 13.481 -1.518 1.00 0.00 N ATOM 590 CA PRO A 38 7.075 12.575 -2.636 1.00 0.00 C ATOM 591 C PRO A 38 6.529 11.144 -2.437 1.00 0.00 C ATOM 592 O PRO A 38 6.403 10.676 -1.326 1.00 0.00 O ATOM 593 CB PRO A 38 8.576 12.706 -2.566 1.00 0.00 C ATOM 594 CG PRO A 38 8.842 12.689 -1.019 1.00 0.00 C ATOM 595 CD PRO A 38 7.574 13.330 -0.358 1.00 0.00 C ATOM 0 HA PRO A 38 6.687 12.827 -3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.080 11.884 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.926 13.629 -3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.997 11.671 -0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.740 13.255 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.150 12.689 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.799 14.288 0.110 1.00 0.00 H new ATOM 603 N HIS A 39 6.204 10.457 -3.493 1.00 0.00 N ATOM 604 CA HIS A 39 5.663 9.058 -3.296 1.00 0.00 C ATOM 605 C HIS A 39 6.360 7.796 -3.884 1.00 0.00 C ATOM 606 O HIS A 39 5.954 7.337 -4.934 1.00 0.00 O ATOM 607 CB HIS A 39 4.223 9.067 -3.799 1.00 0.00 C ATOM 608 CG HIS A 39 3.370 10.232 -3.297 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.799 10.347 -2.098 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.081 11.333 -4.067 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.172 11.512 -2.162 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.349 12.062 -3.306 1.00 0.00 N ATOM 0 H HIS A 39 6.280 10.776 -4.459 1.00 0.00 H new ATOM 0 HA HIS A 39 5.839 8.905 -2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.235 9.088 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.745 8.133 -3.504 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.836 9.693 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.397 11.537 -5.079 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.590 11.940 -1.359 1.00 0.00 H new ATOM 620 N ASN A 40 7.361 7.242 -3.265 1.00 0.00 N ATOM 621 CA ASN A 40 8.005 6.011 -3.854 1.00 0.00 C ATOM 622 C ASN A 40 7.414 4.830 -3.048 1.00 0.00 C ATOM 623 O ASN A 40 7.098 4.997 -1.885 1.00 0.00 O ATOM 624 CB ASN A 40 9.551 6.134 -3.681 1.00 0.00 C ATOM 625 CG ASN A 40 9.926 6.484 -2.255 1.00 0.00 C ATOM 626 OD1 ASN A 40 9.568 7.528 -1.760 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.633 5.669 -1.560 1.00 0.00 N ATOM 0 H ASN A 40 7.765 7.573 -2.389 1.00 0.00 H new ATOM 0 HA ASN A 40 7.815 5.874 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.025 5.194 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.934 6.899 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.887 5.905 -0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.941 4.786 -1.967 1.00 0.00 H new ATOM 634 N VAL A 41 7.266 3.676 -3.637 1.00 0.00 N ATOM 635 CA VAL A 41 6.684 2.538 -2.840 1.00 0.00 C ATOM 636 C VAL A 41 7.629 1.398 -2.478 1.00 0.00 C ATOM 637 O VAL A 41 8.338 0.797 -3.267 1.00 0.00 O ATOM 638 CB VAL A 41 5.467 1.920 -3.596 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.338 2.954 -3.685 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.829 1.523 -5.041 1.00 0.00 C ATOM 0 H VAL A 41 7.511 3.466 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 41 6.409 3.010 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 41 5.163 1.034 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.489 2.521 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.031 3.244 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.691 3.833 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.954 1.097 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.158 2.406 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.631 0.785 -5.026 1.00 0.00 H new ATOM 650 N VAL A 42 7.592 1.129 -1.217 1.00 0.00 N ATOM 651 CA VAL A 42 8.428 0.052 -0.642 1.00 0.00 C ATOM 652 C VAL A 42 7.429 -1.075 -0.257 1.00 0.00 C ATOM 653 O VAL A 42 6.383 -0.859 0.327 1.00 0.00 O ATOM 654 CB VAL A 42 9.177 0.703 0.542 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.109 -0.288 1.250 1.00 0.00 C ATOM 656 CG2 VAL A 42 10.106 1.807 -0.004 1.00 0.00 C ATOM 0 H VAL A 42 7.005 1.619 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 42 9.181 -0.390 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 42 8.418 1.072 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.614 0.214 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.526 -1.124 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.850 -0.659 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.641 2.274 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.823 1.369 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.512 2.559 -0.523 1.00 0.00 H new ATOM 666 N PHE A 43 7.796 -2.263 -0.628 1.00 0.00 N ATOM 667 CA PHE A 43 6.971 -3.478 -0.353 1.00 0.00 C ATOM 668 C PHE A 43 7.342 -4.188 0.962 1.00 0.00 C ATOM 669 O PHE A 43 8.510 -4.380 1.264 1.00 0.00 O ATOM 670 CB PHE A 43 7.125 -4.415 -1.580 1.00 0.00 C ATOM 671 CG PHE A 43 6.098 -3.985 -2.645 1.00 0.00 C ATOM 672 CD1 PHE A 43 6.096 -2.710 -3.184 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.146 -4.886 -3.074 1.00 0.00 C ATOM 674 CE1 PHE A 43 5.159 -2.347 -4.134 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.209 -4.529 -4.023 1.00 0.00 C ATOM 676 CZ PHE A 43 4.216 -3.258 -4.553 1.00 0.00 C ATOM 0 H PHE A 43 8.664 -2.454 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 43 5.931 -3.184 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.137 -4.354 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.960 -5.452 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.834 -1.991 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.133 -5.884 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.167 -1.349 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.471 -5.246 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.484 -2.977 -5.295 1.00 0.00 H new ATOM 686 N ASP A 44 6.312 -4.539 1.670 1.00 0.00 N ATOM 687 CA ASP A 44 6.413 -5.235 2.980 1.00 0.00 C ATOM 688 C ASP A 44 7.114 -6.642 3.039 1.00 0.00 C ATOM 689 O ASP A 44 7.372 -7.305 2.050 1.00 0.00 O ATOM 690 CB ASP A 44 4.923 -5.214 3.443 1.00 0.00 C ATOM 691 CG ASP A 44 4.742 -6.061 4.659 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.421 -5.797 5.625 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.932 -6.945 4.541 1.00 0.00 O ATOM 0 H ASP A 44 5.351 -4.362 1.377 1.00 0.00 H new ATOM 0 HA ASP A 44 7.115 -4.733 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.617 -4.190 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.281 -5.578 2.640 1.00 0.00 H new ATOM 698 N ALA A 45 7.400 -7.014 4.255 1.00 0.00 N ATOM 699 CA ALA A 45 8.059 -8.292 4.619 1.00 0.00 C ATOM 700 C ALA A 45 7.127 -9.251 5.423 1.00 0.00 C ATOM 701 O ALA A 45 7.534 -10.322 5.847 1.00 0.00 O ATOM 702 CB ALA A 45 9.321 -7.891 5.412 1.00 0.00 C ATOM 0 H ALA A 45 7.184 -6.435 5.066 1.00 0.00 H new ATOM 0 HA ALA A 45 8.313 -8.868 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.861 -8.788 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.965 -7.275 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.030 -7.326 6.298 1.00 0.00 H new ATOM 708 N ALA A 46 5.901 -8.848 5.611 1.00 0.00 N ATOM 709 CA ALA A 46 4.902 -9.671 6.365 1.00 0.00 C ATOM 710 C ALA A 46 3.944 -10.430 5.394 1.00 0.00 C ATOM 711 O ALA A 46 3.836 -11.643 5.454 1.00 0.00 O ATOM 712 CB ALA A 46 4.168 -8.678 7.297 1.00 0.00 C ATOM 0 H ALA A 46 5.537 -7.960 5.266 1.00 0.00 H new ATOM 0 HA ALA A 46 5.374 -10.460 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.419 -9.213 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.887 -8.211 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.679 -7.910 6.698 1.00 0.00 H new ATOM 718 N LEU A 47 3.305 -9.705 4.527 1.00 0.00 N ATOM 719 CA LEU A 47 2.344 -10.273 3.523 1.00 0.00 C ATOM 720 C LEU A 47 3.018 -10.563 2.145 1.00 0.00 C ATOM 721 O LEU A 47 2.662 -10.013 1.121 1.00 0.00 O ATOM 722 CB LEU A 47 1.170 -9.246 3.350 1.00 0.00 C ATOM 723 CG LEU A 47 0.249 -9.006 4.581 1.00 0.00 C ATOM 724 CD1 LEU A 47 -0.300 -10.335 5.092 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.002 -8.339 5.721 1.00 0.00 C ATOM 0 H LEU A 47 3.409 -8.692 4.464 1.00 0.00 H new ATOM 0 HA LEU A 47 1.978 -11.232 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.600 -8.288 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.546 -9.582 2.522 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.561 -8.353 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.943 -10.156 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.876 -10.818 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.527 -10.982 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.327 -8.187 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.831 -8.975 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.388 -7.376 5.388 1.00 0.00 H new ATOM 737 N ASN A 48 3.996 -11.428 2.138 1.00 0.00 N ATOM 738 CA ASN A 48 4.697 -11.774 0.848 1.00 0.00 C ATOM 739 C ASN A 48 4.671 -13.320 0.575 1.00 0.00 C ATOM 740 O ASN A 48 5.407 -14.069 1.183 1.00 0.00 O ATOM 741 CB ASN A 48 6.151 -11.193 0.958 1.00 0.00 C ATOM 742 CG ASN A 48 7.090 -12.063 1.757 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.967 -12.288 2.941 1.00 0.00 O ATOM 744 ND2 ASN A 48 8.082 -12.605 1.155 1.00 0.00 N ATOM 0 H ASN A 48 4.346 -11.914 2.964 1.00 0.00 H new ATOM 0 HA ASN A 48 4.189 -11.334 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.557 -11.060 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.105 -10.205 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.730 -13.199 1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.224 -12.443 0.158 1.00 0.00 H new ATOM 751 N PRO A 49 3.833 -13.764 -0.334 1.00 0.00 N ATOM 752 CA PRO A 49 3.148 -15.103 -0.263 1.00 0.00 C ATOM 753 C PRO A 49 3.903 -16.237 0.484 1.00 0.00 C ATOM 754 O PRO A 49 3.422 -16.791 1.450 1.00 0.00 O ATOM 755 CB PRO A 49 2.832 -15.374 -1.773 1.00 0.00 C ATOM 756 CG PRO A 49 3.579 -14.231 -2.540 1.00 0.00 C ATOM 757 CD PRO A 49 3.477 -13.051 -1.580 1.00 0.00 C ATOM 0 HA PRO A 49 2.263 -15.087 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.186 -16.357 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.759 -15.346 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.616 -14.495 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.108 -14.013 -3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.171 -12.246 -1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.479 -12.614 -1.549 1.00 0.00 H new ATOM 765 N ALA A 50 5.083 -16.550 0.032 1.00 0.00 N ATOM 766 CA ALA A 50 5.900 -17.631 0.681 1.00 0.00 C ATOM 767 C ALA A 50 6.825 -16.967 1.744 1.00 0.00 C ATOM 768 O ALA A 50 8.025 -17.140 1.758 1.00 0.00 O ATOM 769 CB ALA A 50 6.686 -18.319 -0.455 1.00 0.00 C ATOM 0 H ALA A 50 5.528 -16.102 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 50 5.302 -18.380 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.301 -19.118 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.987 -18.738 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.326 -17.588 -0.949 1.00 0.00 H new ATOM 775 N LYS A 51 6.185 -16.228 2.607 1.00 0.00 N ATOM 776 CA LYS A 51 6.802 -15.454 3.741 1.00 0.00 C ATOM 777 C LYS A 51 8.350 -15.187 3.736 1.00 0.00 C ATOM 778 O LYS A 51 9.016 -15.157 4.753 1.00 0.00 O ATOM 779 CB LYS A 51 6.315 -16.232 4.994 1.00 0.00 C ATOM 780 CG LYS A 51 6.715 -15.610 6.359 1.00 0.00 C ATOM 781 CD LYS A 51 5.997 -14.255 6.652 1.00 0.00 C ATOM 782 CE LYS A 51 6.294 -13.043 5.748 1.00 0.00 C ATOM 783 NZ LYS A 51 7.750 -12.929 5.445 1.00 0.00 N ATOM 0 H LYS A 51 5.172 -16.119 2.570 1.00 0.00 H new ATOM 0 HA LYS A 51 6.480 -14.415 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.229 -16.310 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.709 -17.247 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.482 -16.317 7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.794 -15.454 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.923 -14.437 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.238 -13.969 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.734 -13.136 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.951 -12.131 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.168 -12.175 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.221 -13.831 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.878 -12.701 4.438 1.00 0.00 H new ATOM 797 N SER A 52 8.876 -14.950 2.577 1.00 0.00 N ATOM 798 CA SER A 52 10.353 -14.679 2.382 1.00 0.00 C ATOM 799 C SER A 52 10.726 -13.163 2.369 1.00 0.00 C ATOM 800 O SER A 52 10.004 -12.345 2.910 1.00 0.00 O ATOM 801 CB SER A 52 10.701 -15.409 1.059 1.00 0.00 C ATOM 802 OG SER A 52 12.108 -15.284 0.820 1.00 0.00 O ATOM 0 H SER A 52 8.336 -14.928 1.712 1.00 0.00 H new ATOM 0 HA SER A 52 10.941 -15.048 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.421 -16.460 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.138 -14.979 0.231 1.00 0.00 H new ATOM 0 HG SER A 52 12.368 -15.871 0.080 1.00 0.00 H new ATOM 808 N ALA A 53 11.833 -12.846 1.773 1.00 0.00 N ATOM 809 CA ALA A 53 12.392 -11.454 1.631 1.00 0.00 C ATOM 810 C ALA A 53 12.579 -11.140 0.108 1.00 0.00 C ATOM 811 O ALA A 53 12.405 -10.033 -0.375 1.00 0.00 O ATOM 812 CB ALA A 53 13.724 -11.443 2.412 1.00 0.00 C ATOM 0 H ALA A 53 12.430 -13.550 1.339 1.00 0.00 H new ATOM 0 HA ALA A 53 11.734 -10.683 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.177 -10.454 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.535 -11.684 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.402 -12.183 1.986 1.00 0.00 H new ATOM 818 N ASP A 54 12.943 -12.188 -0.562 1.00 0.00 N ATOM 819 CA ASP A 54 13.203 -12.253 -2.029 1.00 0.00 C ATOM 820 C ASP A 54 12.531 -11.155 -2.914 1.00 0.00 C ATOM 821 O ASP A 54 13.088 -10.139 -3.297 1.00 0.00 O ATOM 822 CB ASP A 54 12.771 -13.718 -2.348 1.00 0.00 C ATOM 823 CG ASP A 54 11.389 -14.094 -1.804 1.00 0.00 C ATOM 824 OD1 ASP A 54 10.633 -13.256 -1.335 1.00 0.00 O ATOM 825 OD2 ASP A 54 11.175 -15.276 -1.897 1.00 0.00 O ATOM 0 H ASP A 54 13.084 -13.089 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 54 14.239 -12.027 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.775 -13.860 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.511 -14.402 -1.934 1.00 0.00 H new ATOM 830 N LEU A 55 11.301 -11.422 -3.217 1.00 0.00 N ATOM 831 CA LEU A 55 10.457 -10.525 -4.046 1.00 0.00 C ATOM 832 C LEU A 55 10.112 -9.308 -3.158 1.00 0.00 C ATOM 833 O LEU A 55 10.219 -8.180 -3.597 1.00 0.00 O ATOM 834 CB LEU A 55 9.220 -11.355 -4.470 1.00 0.00 C ATOM 835 CG LEU A 55 8.675 -10.890 -5.832 1.00 0.00 C ATOM 836 CD1 LEU A 55 7.369 -11.606 -6.102 1.00 0.00 C ATOM 837 CD2 LEU A 55 8.400 -9.400 -5.843 1.00 0.00 C ATOM 0 H LEU A 55 10.821 -12.268 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 55 10.935 -10.153 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.488 -12.410 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.441 -11.263 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 55 9.424 -11.116 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.971 -11.286 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.541 -12.682 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.653 -11.366 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.016 -9.108 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.662 -9.161 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.323 -8.858 -5.639 1.00 0.00 H new ATOM 849 N ALA A 56 9.714 -9.576 -1.935 1.00 0.00 N ATOM 850 CA ALA A 56 9.344 -8.495 -0.942 1.00 0.00 C ATOM 851 C ALA A 56 10.254 -7.248 -1.153 1.00 0.00 C ATOM 852 O ALA A 56 9.848 -6.100 -1.148 1.00 0.00 O ATOM 853 CB ALA A 56 9.499 -9.122 0.465 1.00 0.00 C ATOM 0 H ALA A 56 9.626 -10.523 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 56 8.320 -8.144 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.243 -8.382 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.833 -9.980 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.530 -9.446 0.607 1.00 0.00 H new ATOM 859 N LYS A 57 11.516 -7.509 -1.320 1.00 0.00 N ATOM 860 CA LYS A 57 12.524 -6.424 -1.553 1.00 0.00 C ATOM 861 C LYS A 57 12.686 -6.151 -3.057 1.00 0.00 C ATOM 862 O LYS A 57 12.543 -5.004 -3.427 1.00 0.00 O ATOM 863 CB LYS A 57 13.843 -6.887 -0.875 1.00 0.00 C ATOM 864 CG LYS A 57 14.091 -6.141 0.468 1.00 0.00 C ATOM 865 CD LYS A 57 12.957 -6.368 1.548 1.00 0.00 C ATOM 866 CE LYS A 57 12.218 -5.048 1.829 1.00 0.00 C ATOM 867 NZ LYS A 57 11.212 -4.885 0.751 1.00 0.00 N ATOM 0 H LYS A 57 11.908 -8.451 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 57 12.207 -5.476 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.801 -7.961 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.681 -6.711 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.045 -6.468 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.180 -5.073 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.252 -7.119 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.394 -6.752 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.737 -5.074 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.914 -4.209 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.387 -4.371 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.630 -4.348 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.913 -5.821 0.411 1.00 0.00 H new ATOM 881 N SER A 58 12.960 -7.139 -3.864 1.00 0.00 N ATOM 882 CA SER A 58 13.110 -6.895 -5.359 1.00 0.00 C ATOM 883 C SER A 58 12.017 -5.962 -5.917 1.00 0.00 C ATOM 884 O SER A 58 12.209 -5.260 -6.886 1.00 0.00 O ATOM 885 CB SER A 58 13.038 -8.216 -6.101 1.00 0.00 C ATOM 886 OG SER A 58 14.149 -8.922 -5.559 1.00 0.00 O ATOM 0 H SER A 58 13.089 -8.107 -3.570 1.00 0.00 H new ATOM 0 HA SER A 58 14.077 -6.413 -5.507 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.097 -8.735 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.126 -8.083 -7.179 1.00 0.00 H new ATOM 0 HG SER A 58 13.858 -9.442 -4.781 1.00 0.00 H new ATOM 892 N LEU A 59 10.882 -6.017 -5.271 1.00 0.00 N ATOM 893 CA LEU A 59 9.704 -5.180 -5.653 1.00 0.00 C ATOM 894 C LEU A 59 9.841 -3.805 -4.917 1.00 0.00 C ATOM 895 O LEU A 59 9.759 -2.768 -5.545 1.00 0.00 O ATOM 896 CB LEU A 59 8.441 -5.965 -5.229 1.00 0.00 C ATOM 897 CG LEU A 59 7.219 -5.667 -6.128 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.952 -4.190 -6.162 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.485 -6.096 -7.582 1.00 0.00 C ATOM 0 H LEU A 59 10.718 -6.626 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 59 9.641 -4.978 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.656 -7.033 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.195 -5.718 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 59 6.375 -6.218 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.089 -3.991 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.748 -3.834 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.824 -3.672 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.609 -5.875 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.345 -5.551 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.689 -7.166 -7.614 1.00 0.00 H new ATOM 911 N SER A 60 10.029 -3.779 -3.610 1.00 0.00 N ATOM 912 CA SER A 60 10.181 -2.445 -2.908 1.00 0.00 C ATOM 913 C SER A 60 11.234 -1.545 -3.615 1.00 0.00 C ATOM 914 O SER A 60 12.389 -1.910 -3.695 1.00 0.00 O ATOM 915 CB SER A 60 10.615 -2.694 -1.447 1.00 0.00 C ATOM 916 OG SER A 60 11.901 -3.306 -1.437 1.00 0.00 O ATOM 0 H SER A 60 10.083 -4.601 -3.008 1.00 0.00 H new ATOM 0 HA SER A 60 9.222 -1.927 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.643 -1.753 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.891 -3.335 -0.944 1.00 0.00 H new ATOM 0 HG SER A 60 12.145 -3.569 -2.349 1.00 0.00 H new ATOM 922 N HIS A 61 10.833 -0.395 -4.086 1.00 0.00 N ATOM 923 CA HIS A 61 11.800 0.517 -4.792 1.00 0.00 C ATOM 924 C HIS A 61 12.187 1.809 -4.008 1.00 0.00 C ATOM 925 O HIS A 61 11.771 2.017 -2.887 1.00 0.00 O ATOM 926 CB HIS A 61 11.133 0.824 -6.163 1.00 0.00 C ATOM 927 CG HIS A 61 12.136 1.559 -7.029 1.00 0.00 C ATOM 928 ND1 HIS A 61 13.290 1.077 -7.319 1.00 0.00 N ATOM 929 CD2 HIS A 61 12.105 2.789 -7.648 1.00 0.00 C ATOM 930 CE1 HIS A 61 13.945 1.922 -8.056 1.00 0.00 C ATOM 931 NE2 HIS A 61 13.240 3.000 -8.282 1.00 0.00 N ATOM 0 H HIS A 61 9.879 -0.041 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 61 12.767 0.024 -4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.819 -0.101 -6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.238 1.430 -6.022 1.00 0.00 H new ATOM 0 HD1 HIS A 61 13.640 0.168 -7.016 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.274 3.478 -7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 61 14.943 1.756 -8.434 1.00 0.00 H new ATOM 939 N LYS A 62 12.980 2.662 -4.606 1.00 0.00 N ATOM 940 CA LYS A 62 13.408 3.933 -3.916 1.00 0.00 C ATOM 941 C LYS A 62 13.114 5.286 -4.613 1.00 0.00 C ATOM 942 O LYS A 62 12.414 6.089 -4.042 1.00 0.00 O ATOM 943 CB LYS A 62 14.938 3.778 -3.630 1.00 0.00 C ATOM 944 CG LYS A 62 15.199 2.695 -2.535 1.00 0.00 C ATOM 945 CD LYS A 62 14.574 3.196 -1.197 1.00 0.00 C ATOM 946 CE LYS A 62 14.866 2.269 -0.041 1.00 0.00 C ATOM 947 NZ LYS A 62 14.271 2.946 1.138 1.00 0.00 N ATOM 0 H LYS A 62 13.355 2.538 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 62 12.787 4.018 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.457 3.503 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.349 4.734 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.757 1.743 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.269 2.526 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.960 4.189 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.495 3.293 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.423 1.286 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.938 2.119 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.941 2.913 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.064 3.937 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.390 2.463 1.408 1.00 0.00 H new ATOM 961 N GLN A 63 13.637 5.507 -5.788 1.00 0.00 N ATOM 962 CA GLN A 63 13.439 6.789 -6.580 1.00 0.00 C ATOM 963 C GLN A 63 12.335 7.836 -6.147 1.00 0.00 C ATOM 964 O GLN A 63 11.408 8.126 -6.871 1.00 0.00 O ATOM 965 CB GLN A 63 13.237 6.307 -8.051 1.00 0.00 C ATOM 966 CG GLN A 63 13.323 7.530 -9.038 1.00 0.00 C ATOM 967 CD GLN A 63 13.294 7.076 -10.487 1.00 0.00 C ATOM 968 OE1 GLN A 63 12.351 6.514 -10.983 1.00 0.00 O ATOM 969 NE2 GLN A 63 14.304 7.283 -11.251 1.00 0.00 N ATOM 0 H GLN A 63 14.225 4.825 -6.266 1.00 0.00 H new ATOM 0 HA GLN A 63 14.317 7.407 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.997 5.569 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.269 5.816 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.491 8.209 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.240 8.089 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.131 7.755 -10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.279 6.976 -12.223 1.00 0.00 H new ATOM 978 N LEU A 64 12.456 8.370 -4.966 1.00 0.00 N ATOM 979 CA LEU A 64 11.517 9.382 -4.391 1.00 0.00 C ATOM 980 C LEU A 64 10.642 10.293 -5.334 1.00 0.00 C ATOM 981 O LEU A 64 11.023 11.385 -5.702 1.00 0.00 O ATOM 982 CB LEU A 64 12.420 10.216 -3.402 1.00 0.00 C ATOM 983 CG LEU A 64 13.866 10.631 -3.865 1.00 0.00 C ATOM 984 CD1 LEU A 64 14.891 9.484 -3.950 1.00 0.00 C ATOM 985 CD2 LEU A 64 13.832 11.303 -5.233 1.00 0.00 C ATOM 0 H LEU A 64 13.219 8.130 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 64 10.693 8.833 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.879 11.128 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.520 9.641 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 64 14.196 11.309 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 64 15.853 9.879 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.004 9.023 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.543 8.737 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.844 11.579 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.416 10.613 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.212 12.198 -5.183 1.00 0.00 H new ATOM 997 N LEU A 65 9.480 9.830 -5.716 1.00 0.00 N ATOM 998 CA LEU A 65 8.547 10.618 -6.619 1.00 0.00 C ATOM 999 C LEU A 65 8.195 12.086 -6.170 1.00 0.00 C ATOM 1000 O LEU A 65 7.084 12.352 -5.743 1.00 0.00 O ATOM 1001 CB LEU A 65 7.225 9.771 -6.785 1.00 0.00 C ATOM 1002 CG LEU A 65 7.261 8.712 -7.907 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.450 9.397 -9.266 1.00 0.00 C ATOM 1004 CD2 LEU A 65 8.417 7.750 -7.707 1.00 0.00 C ATOM 0 H LEU A 65 9.118 8.917 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 65 9.086 10.767 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.012 9.270 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.397 10.453 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 65 6.318 8.166 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.474 8.643 -10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.622 10.083 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.388 9.952 -9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.421 7.013 -8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.356 8.303 -7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.306 7.242 -6.749 1.00 0.00 H new ATOM 1016 N MET A 66 9.149 12.971 -6.285 1.00 0.00 N ATOM 1017 CA MET A 66 9.025 14.434 -5.915 1.00 0.00 C ATOM 1018 C MET A 66 8.108 15.276 -6.841 1.00 0.00 C ATOM 1019 O MET A 66 7.430 16.187 -6.410 1.00 0.00 O ATOM 1020 CB MET A 66 10.460 15.030 -5.905 1.00 0.00 C ATOM 1021 CG MET A 66 11.273 14.526 -4.693 1.00 0.00 C ATOM 1022 SD MET A 66 10.749 15.101 -3.058 1.00 0.00 S ATOM 1023 CE MET A 66 11.661 16.664 -3.022 1.00 0.00 C ATOM 0 H MET A 66 10.073 12.731 -6.643 1.00 0.00 H new ATOM 0 HA MET A 66 8.541 14.481 -4.940 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.974 14.759 -6.827 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.403 16.118 -5.879 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.244 13.436 -4.695 1.00 0.00 H new ATOM 0 HG3 MET A 66 12.313 14.817 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.467 17.177 -2.080 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.729 16.464 -3.114 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.337 17.293 -3.851 1.00 0.00 H new ATOM 1033 N SER A 67 8.105 14.957 -8.100 1.00 0.00 N ATOM 1034 CA SER A 67 7.250 15.706 -9.094 1.00 0.00 C ATOM 1035 C SER A 67 5.856 15.050 -9.224 1.00 0.00 C ATOM 1036 O SER A 67 5.737 14.064 -9.927 1.00 0.00 O ATOM 1037 CB SER A 67 7.969 15.699 -10.465 1.00 0.00 C ATOM 1038 OG SER A 67 8.218 14.316 -10.729 1.00 0.00 O ATOM 0 H SER A 67 8.661 14.202 -8.501 1.00 0.00 H new ATOM 0 HA SER A 67 7.107 16.730 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.348 16.146 -11.241 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.897 16.270 -10.430 1.00 0.00 H new ATOM 0 HG SER A 67 7.409 13.796 -10.540 1.00 0.00 H new ATOM 1044 N PRO A 68 4.835 15.550 -8.565 1.00 0.00 N ATOM 1045 CA PRO A 68 3.462 14.991 -8.766 1.00 0.00 C ATOM 1046 C PRO A 68 3.016 15.082 -10.254 1.00 0.00 C ATOM 1047 O PRO A 68 3.289 16.050 -10.938 1.00 0.00 O ATOM 1048 CB PRO A 68 2.608 15.813 -7.780 1.00 0.00 C ATOM 1049 CG PRO A 68 3.385 17.157 -7.731 1.00 0.00 C ATOM 1050 CD PRO A 68 4.839 16.686 -7.598 1.00 0.00 C ATOM 0 HA PRO A 68 3.377 13.923 -8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.586 15.944 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.546 15.340 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.230 17.750 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.078 17.774 -6.887 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.555 17.462 -7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.083 16.369 -6.584 1.00 0.00 H new ATOM 1058 N GLY A 69 2.341 14.063 -10.707 1.00 0.00 N ATOM 1059 CA GLY A 69 1.842 14.013 -12.141 1.00 0.00 C ATOM 1060 C GLY A 69 2.472 12.962 -13.066 1.00 0.00 C ATOM 1061 O GLY A 69 2.341 13.059 -14.268 1.00 0.00 O ATOM 0 H GLY A 69 2.103 13.243 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.766 13.842 -12.119 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.999 14.995 -12.588 1.00 0.00 H new ATOM 1065 N GLN A 70 3.134 11.983 -12.517 1.00 0.00 N ATOM 1066 CA GLN A 70 3.783 10.905 -13.340 1.00 0.00 C ATOM 1067 C GLN A 70 3.171 9.500 -13.071 1.00 0.00 C ATOM 1068 O GLN A 70 2.765 9.177 -11.969 1.00 0.00 O ATOM 1069 CB GLN A 70 5.305 10.885 -13.015 1.00 0.00 C ATOM 1070 CG GLN A 70 6.006 12.230 -13.435 1.00 0.00 C ATOM 1071 CD GLN A 70 7.498 11.998 -13.660 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.900 11.250 -14.517 1.00 0.00 O ATOM 1073 NE2 GLN A 70 8.413 12.573 -12.966 1.00 0.00 N ATOM 0 H GLN A 70 3.259 11.876 -11.510 1.00 0.00 H new ATOM 0 HA GLN A 70 3.610 11.130 -14.392 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.447 10.718 -11.947 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.777 10.051 -13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.549 12.618 -14.346 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.860 12.982 -12.660 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.157 13.221 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.396 12.382 -13.160 1.00 0.00 H new ATOM 1082 N SER A 71 3.126 8.704 -14.101 1.00 0.00 N ATOM 1083 CA SER A 71 2.570 7.298 -14.052 1.00 0.00 C ATOM 1084 C SER A 71 3.617 6.182 -14.287 1.00 0.00 C ATOM 1085 O SER A 71 4.029 5.960 -15.408 1.00 0.00 O ATOM 1086 CB SER A 71 1.470 7.197 -15.120 1.00 0.00 C ATOM 1087 OG SER A 71 2.152 7.585 -16.312 1.00 0.00 O ATOM 0 H SER A 71 3.466 8.974 -15.024 1.00 0.00 H new ATOM 0 HA SER A 71 2.193 7.134 -13.042 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.069 6.186 -15.194 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.631 7.857 -14.901 1.00 0.00 H new ATOM 0 HG SER A 71 3.033 7.157 -16.339 1.00 0.00 H new ATOM 1093 N THR A 72 4.037 5.489 -13.266 1.00 0.00 N ATOM 1094 CA THR A 72 5.067 4.390 -13.485 1.00 0.00 C ATOM 1095 C THR A 72 4.533 2.969 -13.245 1.00 0.00 C ATOM 1096 O THR A 72 3.459 2.790 -12.705 1.00 0.00 O ATOM 1097 CB THR A 72 6.281 4.629 -12.557 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.173 3.606 -12.963 1.00 0.00 O ATOM 1099 CG2 THR A 72 6.044 4.246 -11.098 1.00 0.00 C ATOM 0 H THR A 72 3.730 5.618 -12.302 1.00 0.00 H new ATOM 0 HA THR A 72 5.347 4.446 -14.537 1.00 0.00 H new ATOM 0 HB THR A 72 6.570 5.678 -12.621 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.313 3.659 -13.932 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.945 4.446 -10.518 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.217 4.833 -10.697 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.800 3.186 -11.035 1.00 0.00 H new ATOM 1107 N SER A 73 5.283 1.975 -13.630 1.00 0.00 N ATOM 1108 CA SER A 73 4.819 0.549 -13.429 1.00 0.00 C ATOM 1109 C SER A 73 5.639 -0.286 -12.432 1.00 0.00 C ATOM 1110 O SER A 73 6.819 -0.086 -12.230 1.00 0.00 O ATOM 1111 CB SER A 73 4.835 -0.209 -14.772 1.00 0.00 C ATOM 1112 OG SER A 73 4.276 -1.483 -14.428 1.00 0.00 O ATOM 0 H SER A 73 6.196 2.074 -14.075 1.00 0.00 H new ATOM 0 HA SER A 73 3.818 0.657 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.241 0.301 -15.531 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.845 -0.305 -15.169 1.00 0.00 H new ATOM 0 HG SER A 73 3.484 -1.352 -13.865 1.00 0.00 H new ATOM 1118 N THR A 74 4.984 -1.214 -11.803 1.00 0.00 N ATOM 1119 CA THR A 74 5.676 -2.125 -10.798 1.00 0.00 C ATOM 1120 C THR A 74 5.097 -3.531 -10.941 1.00 0.00 C ATOM 1121 O THR A 74 4.806 -4.245 -10.006 1.00 0.00 O ATOM 1122 CB THR A 74 5.445 -1.640 -9.367 1.00 0.00 C ATOM 1123 OG1 THR A 74 5.686 -0.246 -9.417 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.627 -1.995 -8.509 1.00 0.00 C ATOM 0 H THR A 74 3.989 -1.399 -11.929 1.00 0.00 H new ATOM 0 HA THR A 74 6.748 -2.120 -10.997 1.00 0.00 H new ATOM 0 HB THR A 74 4.482 -2.015 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.570 0.138 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.455 -1.646 -7.491 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.761 -3.077 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.523 -1.520 -8.909 1.00 0.00 H new ATOM 1132 N THR A 75 4.938 -3.847 -12.188 1.00 0.00 N ATOM 1133 CA THR A 75 4.387 -5.168 -12.675 1.00 0.00 C ATOM 1134 C THR A 75 5.027 -6.443 -12.129 1.00 0.00 C ATOM 1135 O THR A 75 6.148 -6.432 -11.665 1.00 0.00 O ATOM 1136 CB THR A 75 4.491 -5.101 -14.189 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.466 -4.161 -14.459 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.068 -6.359 -14.934 1.00 0.00 C ATOM 0 H THR A 75 5.179 -3.211 -12.948 1.00 0.00 H new ATOM 0 HA THR A 75 3.370 -5.267 -12.296 1.00 0.00 H new ATOM 0 HB THR A 75 5.519 -4.902 -14.493 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.840 -3.255 -14.442 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.182 -6.202 -16.007 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.694 -7.195 -14.621 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.025 -6.582 -14.709 1.00 0.00 H new ATOM 1146 N PHE A 76 4.297 -7.525 -12.222 1.00 0.00 N ATOM 1147 CA PHE A 76 4.785 -8.860 -11.725 1.00 0.00 C ATOM 1148 C PHE A 76 5.046 -9.932 -12.829 1.00 0.00 C ATOM 1149 O PHE A 76 4.202 -10.766 -13.085 1.00 0.00 O ATOM 1150 CB PHE A 76 3.719 -9.334 -10.695 1.00 0.00 C ATOM 1151 CG PHE A 76 3.807 -8.447 -9.448 1.00 0.00 C ATOM 1152 CD1 PHE A 76 4.815 -8.657 -8.531 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.908 -7.427 -9.224 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.928 -7.863 -7.412 1.00 0.00 C ATOM 1155 CE2 PHE A 76 3.023 -6.631 -8.103 1.00 0.00 C ATOM 1156 CZ PHE A 76 4.029 -6.846 -7.198 1.00 0.00 C ATOM 0 H PHE A 76 3.362 -7.545 -12.629 1.00 0.00 H new ATOM 0 HA PHE A 76 5.774 -8.737 -11.284 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.721 -9.275 -11.130 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.889 -10.377 -10.429 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.525 -9.455 -8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.110 -7.250 -9.929 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.723 -8.039 -6.703 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.315 -5.833 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.115 -6.220 -6.322 1.00 0.00 H new ATOM 1166 N PRO A 77 6.203 -9.899 -13.457 1.00 0.00 N ATOM 1167 CA PRO A 77 6.716 -11.034 -14.271 1.00 0.00 C ATOM 1168 C PRO A 77 7.433 -11.994 -13.313 1.00 0.00 C ATOM 1169 O PRO A 77 7.186 -11.909 -12.127 1.00 0.00 O ATOM 1170 CB PRO A 77 7.668 -10.431 -15.271 1.00 0.00 C ATOM 1171 CG PRO A 77 7.543 -8.882 -15.000 1.00 0.00 C ATOM 1172 CD PRO A 77 7.164 -8.791 -13.499 1.00 0.00 C ATOM 0 HA PRO A 77 5.937 -11.588 -14.795 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.688 -10.785 -15.120 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.391 -10.684 -16.294 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.480 -8.364 -15.207 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.781 -8.427 -15.632 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.016 -8.943 -12.836 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.719 -7.833 -13.231 1.00 0.00 H new ATOM 1180 N ALA A 78 8.296 -12.853 -13.819 1.00 0.00 N ATOM 1181 CA ALA A 78 9.015 -13.826 -12.917 1.00 0.00 C ATOM 1182 C ALA A 78 7.786 -14.440 -12.215 1.00 0.00 C ATOM 1183 O ALA A 78 7.589 -14.370 -11.018 1.00 0.00 O ATOM 1184 CB ALA A 78 9.961 -13.002 -11.980 1.00 0.00 C ATOM 0 H ALA A 78 8.533 -12.924 -14.809 1.00 0.00 H new ATOM 0 HA ALA A 78 9.666 -14.579 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.495 -13.680 -11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.678 -12.447 -12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.369 -12.305 -11.387 1.00 0.00 H new ATOM 1190 N ASP A 79 7.076 -15.035 -13.131 1.00 0.00 N ATOM 1191 CA ASP A 79 5.746 -15.779 -13.019 1.00 0.00 C ATOM 1192 C ASP A 79 5.448 -16.116 -11.511 1.00 0.00 C ATOM 1193 O ASP A 79 5.444 -17.210 -10.975 1.00 0.00 O ATOM 1194 CB ASP A 79 5.955 -16.960 -14.037 1.00 0.00 C ATOM 1195 CG ASP A 79 6.389 -16.377 -15.373 1.00 0.00 C ATOM 1196 OD1 ASP A 79 5.513 -16.009 -16.124 1.00 0.00 O ATOM 1197 OD2 ASP A 79 7.594 -16.320 -15.549 1.00 0.00 O ATOM 0 H ASP A 79 7.405 -15.041 -14.096 1.00 0.00 H new ATOM 0 HA ASP A 79 4.835 -15.244 -13.285 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.709 -17.653 -13.663 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.031 -17.527 -14.154 1.00 0.00 H new ATOM 1202 N ALA A 80 5.194 -14.977 -10.912 1.00 0.00 N ATOM 1203 CA ALA A 80 4.859 -14.763 -9.477 1.00 0.00 C ATOM 1204 C ALA A 80 3.430 -15.241 -9.011 1.00 0.00 C ATOM 1205 O ALA A 80 2.488 -15.286 -9.779 1.00 0.00 O ATOM 1206 CB ALA A 80 5.126 -13.224 -9.311 1.00 0.00 C ATOM 0 H ALA A 80 5.211 -14.098 -11.429 1.00 0.00 H new ATOM 0 HA ALA A 80 5.459 -15.389 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.915 -12.927 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.169 -13.008 -9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.480 -12.667 -9.990 1.00 0.00 H new ATOM 1212 N PRO A 81 3.306 -15.575 -7.743 1.00 0.00 N ATOM 1213 CA PRO A 81 2.172 -16.401 -7.228 1.00 0.00 C ATOM 1214 C PRO A 81 0.947 -15.617 -6.661 1.00 0.00 C ATOM 1215 O PRO A 81 0.860 -14.404 -6.709 1.00 0.00 O ATOM 1216 CB PRO A 81 2.909 -17.262 -6.217 1.00 0.00 C ATOM 1217 CG PRO A 81 3.766 -16.171 -5.501 1.00 0.00 C ATOM 1218 CD PRO A 81 4.255 -15.226 -6.646 1.00 0.00 C ATOM 0 HA PRO A 81 1.649 -16.956 -8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.231 -17.774 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.522 -18.028 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.176 -15.626 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.607 -16.616 -4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.190 -14.175 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.291 -15.419 -6.923 1.00 0.00 H new ATOM 1226 N ALA A 82 0.029 -16.362 -6.110 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.205 -15.748 -5.526 1.00 0.00 C ATOM 1228 C ALA A 82 -1.094 -15.377 -4.010 1.00 0.00 C ATOM 1229 O ALA A 82 -0.179 -15.755 -3.305 1.00 0.00 O ATOM 1230 CB ALA A 82 -2.337 -16.769 -5.807 1.00 0.00 C ATOM 0 H ALA A 82 0.078 -17.378 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.397 -14.780 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.277 -16.389 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.434 -16.918 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.097 -17.719 -5.329 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.065 -14.629 -3.569 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.171 -14.136 -2.137 1.00 0.00 C ATOM 1238 C GLY A 83 -2.152 -12.600 -2.155 1.00 0.00 C ATOM 1239 O GLY A 83 -2.173 -12.022 -3.222 1.00 0.00 O ATOM 0 H GLY A 83 -2.834 -14.317 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.090 -14.499 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.343 -14.519 -1.541 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.126 -11.936 -1.033 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.104 -10.427 -1.112 1.00 0.00 C ATOM 1245 C GLU A 84 -0.785 -9.792 -0.631 1.00 0.00 C ATOM 1246 O GLU A 84 -0.265 -10.152 0.406 1.00 0.00 O ATOM 1247 CB GLU A 84 -3.294 -9.874 -0.284 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.397 -8.346 -0.692 1.00 0.00 C ATOM 1249 CD GLU A 84 -4.711 -7.674 -0.438 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.254 -7.824 0.631 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -5.143 -7.006 -1.346 1.00 0.00 O ATOM 0 H GLU A 84 -2.119 -12.340 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.191 -10.157 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.217 -10.407 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.118 -9.987 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.623 -7.797 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.170 -8.260 -1.755 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.293 -8.859 -1.400 1.00 0.00 N ATOM 1259 CA TYR A 85 0.993 -8.149 -1.058 1.00 0.00 C ATOM 1260 C TYR A 85 0.681 -6.698 -0.599 1.00 0.00 C ATOM 1261 O TYR A 85 -0.271 -6.101 -1.068 1.00 0.00 O ATOM 1262 CB TYR A 85 1.928 -8.068 -2.313 1.00 0.00 C ATOM 1263 CG TYR A 85 2.073 -9.329 -3.196 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.549 -10.571 -2.893 1.00 0.00 C ATOM 1265 CD2 TYR A 85 2.781 -9.196 -4.376 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.731 -11.644 -3.752 1.00 0.00 C ATOM 1267 CE2 TYR A 85 2.958 -10.273 -5.223 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.437 -11.496 -4.913 1.00 0.00 C ATOM 1269 OH TYR A 85 2.643 -12.558 -5.759 1.00 0.00 O ATOM 0 H TYR A 85 -0.729 -8.547 -2.268 1.00 0.00 H new ATOM 0 HA TYR A 85 1.488 -8.708 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.567 -7.257 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.923 -7.785 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.992 -10.707 -1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.202 -8.237 -4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.311 -12.607 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.514 -10.146 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 85 1.793 -13.020 -5.918 1.00 0.00 H new ATOM 1279 N THR A 86 1.478 -6.153 0.280 1.00 0.00 N ATOM 1280 CA THR A 86 1.227 -4.735 0.770 1.00 0.00 C ATOM 1281 C THR A 86 2.388 -3.746 0.516 1.00 0.00 C ATOM 1282 O THR A 86 3.536 -4.002 0.825 1.00 0.00 O ATOM 1283 CB THR A 86 0.938 -4.760 2.288 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.167 -5.649 2.467 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.324 -3.447 2.749 1.00 0.00 C ATOM 0 H THR A 86 2.292 -6.613 0.688 1.00 0.00 H new ATOM 0 HA THR A 86 0.376 -4.375 0.191 1.00 0.00 H new ATOM 0 HB THR A 86 1.866 -5.001 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.392 -5.703 3.419 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.131 -3.492 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.013 -2.629 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.613 -3.277 2.218 1.00 0.00 H new ATOM 1293 N PHE A 87 2.052 -2.628 -0.060 1.00 0.00 N ATOM 1294 CA PHE A 87 3.040 -1.559 -0.376 1.00 0.00 C ATOM 1295 C PHE A 87 2.843 -0.170 0.254 1.00 0.00 C ATOM 1296 O PHE A 87 1.776 0.396 0.199 1.00 0.00 O ATOM 1297 CB PHE A 87 3.092 -1.440 -1.881 1.00 0.00 C ATOM 1298 CG PHE A 87 1.748 -1.284 -2.528 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.224 -0.041 -2.719 1.00 0.00 C ATOM 1300 CD2 PHE A 87 1.058 -2.395 -2.924 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.003 0.102 -3.309 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.165 -2.270 -3.517 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.707 -1.014 -3.717 1.00 0.00 C ATOM 0 H PHE A 87 1.096 -2.403 -0.335 1.00 0.00 H new ATOM 0 HA PHE A 87 3.972 -1.885 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.713 -0.584 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.579 -2.326 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.776 0.832 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.482 -3.376 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.411 1.088 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.708 -3.150 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.674 -0.905 -4.186 1.00 0.00 H new ATOM 1313 N TYR A 88 3.860 0.372 0.848 1.00 0.00 N ATOM 1314 CA TYR A 88 3.758 1.714 1.483 1.00 0.00 C ATOM 1315 C TYR A 88 4.634 2.820 0.855 1.00 0.00 C ATOM 1316 O TYR A 88 5.733 2.594 0.385 1.00 0.00 O ATOM 1317 CB TYR A 88 4.083 1.495 2.987 1.00 0.00 C ATOM 1318 CG TYR A 88 5.310 0.599 3.123 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.590 1.102 3.143 1.00 0.00 C ATOM 1320 CD2 TYR A 88 5.122 -0.760 3.214 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.665 0.242 3.259 1.00 0.00 C ATOM 1322 CE2 TYR A 88 6.199 -1.605 3.325 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.472 -1.110 3.349 1.00 0.00 C ATOM 1324 OH TYR A 88 8.537 -1.970 3.462 1.00 0.00 O ATOM 0 H TYR A 88 4.779 -0.065 0.924 1.00 0.00 H new ATOM 0 HA TYR A 88 2.752 2.103 1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.265 2.454 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.230 1.039 3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.754 2.167 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.121 -1.166 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.668 0.641 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.038 -2.671 3.394 1.00 0.00 H new ATOM 0 HH TYR A 88 8.218 -2.850 3.752 1.00 0.00 H new ATOM 1334 N CYS A 89 4.100 4.001 0.876 1.00 0.00 N ATOM 1335 CA CYS A 89 4.788 5.214 0.318 1.00 0.00 C ATOM 1336 C CYS A 89 5.898 5.716 1.281 1.00 0.00 C ATOM 1337 O CYS A 89 5.768 6.755 1.887 1.00 0.00 O ATOM 1338 CB CYS A 89 3.700 6.257 0.128 1.00 0.00 C ATOM 1339 SG CYS A 89 4.044 7.696 -0.901 1.00 0.00 S ATOM 0 H CYS A 89 3.179 4.193 1.270 1.00 0.00 H new ATOM 0 HA CYS A 89 5.288 4.994 -0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.829 5.753 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.414 6.619 1.116 1.00 0.00 H new ATOM 0 HG CYS A 89 3.993 8.772 -0.173 1.00 0.00 H new ATOM 1344 N GLU A 90 6.950 4.963 1.400 1.00 0.00 N ATOM 1345 CA GLU A 90 8.115 5.303 2.300 1.00 0.00 C ATOM 1346 C GLU A 90 8.229 6.704 3.030 1.00 0.00 C ATOM 1347 O GLU A 90 8.263 6.712 4.253 1.00 0.00 O ATOM 1348 CB GLU A 90 9.352 4.987 1.429 1.00 0.00 C ATOM 1349 CG GLU A 90 10.656 5.299 2.241 1.00 0.00 C ATOM 1350 CD GLU A 90 11.822 4.517 1.703 1.00 0.00 C ATOM 1351 OE1 GLU A 90 12.229 4.780 0.590 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.290 3.657 2.428 1.00 0.00 O ATOM 0 H GLU A 90 7.067 4.085 0.894 1.00 0.00 H new ATOM 0 HA GLU A 90 7.984 4.712 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.340 3.939 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.328 5.581 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.874 6.366 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.502 5.054 3.292 1.00 0.00 H new ATOM 1359 N PRO A 91 8.291 7.825 2.348 1.00 0.00 N ATOM 1360 CA PRO A 91 8.101 9.178 2.984 1.00 0.00 C ATOM 1361 C PRO A 91 6.764 9.296 3.766 1.00 0.00 C ATOM 1362 O PRO A 91 6.727 9.688 4.915 1.00 0.00 O ATOM 1363 CB PRO A 91 8.252 10.134 1.778 1.00 0.00 C ATOM 1364 CG PRO A 91 7.863 9.235 0.571 1.00 0.00 C ATOM 1365 CD PRO A 91 8.539 7.910 0.890 1.00 0.00 C ATOM 0 HA PRO A 91 8.819 9.407 3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.596 11.000 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.270 10.513 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.782 9.124 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.218 9.651 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.096 7.077 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.602 7.919 0.650 1.00 0.00 H new ATOM 1373 N HIS A 92 5.687 8.944 3.130 1.00 0.00 N ATOM 1374 CA HIS A 92 4.329 9.004 3.781 1.00 0.00 C ATOM 1375 C HIS A 92 3.915 7.546 4.162 1.00 0.00 C ATOM 1376 O HIS A 92 2.757 7.185 4.092 1.00 0.00 O ATOM 1377 CB HIS A 92 3.263 9.569 2.800 1.00 0.00 C ATOM 1378 CG HIS A 92 3.732 10.724 1.884 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.856 10.588 0.567 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.074 12.018 2.248 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.259 11.766 0.149 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.384 12.592 1.123 1.00 0.00 N ATOM 0 H HIS A 92 5.678 8.609 2.167 1.00 0.00 H new ATOM 0 HA HIS A 92 4.382 9.654 4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.908 8.753 2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.410 9.917 3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.081 12.450 3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.460 12.009 -0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.684 13.562 1.028 1.00 0.00 H new ATOM 1390 N ARG A 93 4.918 6.791 4.528 1.00 0.00 N ATOM 1391 CA ARG A 93 4.880 5.338 4.963 1.00 0.00 C ATOM 1392 C ARG A 93 3.621 4.793 5.720 1.00 0.00 C ATOM 1393 O ARG A 93 2.595 5.422 5.836 1.00 0.00 O ATOM 1394 CB ARG A 93 6.202 5.134 5.818 1.00 0.00 C ATOM 1395 CG ARG A 93 6.940 3.808 5.414 1.00 0.00 C ATOM 1396 CD ARG A 93 8.481 3.859 5.623 1.00 0.00 C ATOM 1397 NE ARG A 93 8.759 4.344 7.021 1.00 0.00 N ATOM 1398 CZ ARG A 93 9.638 5.233 7.238 1.00 0.00 C ATOM 1399 NH1 ARG A 93 9.555 6.334 6.654 1.00 0.00 N ATOM 1400 NH2 ARG A 93 10.558 4.951 8.043 1.00 0.00 N ATOM 0 H ARG A 93 5.869 7.160 4.546 1.00 0.00 H new ATOM 0 HA ARG A 93 4.813 4.742 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.868 5.984 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.952 5.106 6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.531 2.983 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.732 3.592 4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.916 2.871 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.940 4.525 4.893 1.00 0.00 H new ATOM 0 HE ARG A 93 8.234 3.953 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.785 6.512 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.257 7.055 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.579 4.036 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.285 5.636 8.247 1.00 0.00 H new ATOM 1414 N GLY A 94 3.756 3.590 6.219 1.00 0.00 N ATOM 1415 CA GLY A 94 2.687 2.831 7.012 1.00 0.00 C ATOM 1416 C GLY A 94 1.492 3.559 7.677 1.00 0.00 C ATOM 1417 O GLY A 94 0.475 2.947 7.912 1.00 0.00 O ATOM 0 H GLY A 94 4.617 3.054 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.266 2.084 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.206 2.290 7.803 1.00 0.00 H new ATOM 1421 N ALA A 95 1.646 4.820 7.959 1.00 0.00 N ATOM 1422 CA ALA A 95 0.586 5.659 8.613 1.00 0.00 C ATOM 1423 C ALA A 95 -0.361 6.510 7.757 1.00 0.00 C ATOM 1424 O ALA A 95 -1.367 7.018 8.205 1.00 0.00 O ATOM 1425 CB ALA A 95 1.350 6.542 9.610 1.00 0.00 C ATOM 0 H ALA A 95 2.503 5.334 7.755 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.134 4.958 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.648 7.190 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.869 5.911 10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 95 2.076 7.153 9.073 1.00 0.00 H new ATOM 1431 N GLY A 96 0.026 6.624 6.539 1.00 0.00 N ATOM 1432 CA GLY A 96 -0.769 7.433 5.530 1.00 0.00 C ATOM 1433 C GLY A 96 -1.034 6.845 4.153 1.00 0.00 C ATOM 1434 O GLY A 96 -2.160 6.690 3.727 1.00 0.00 O ATOM 0 H GLY A 96 0.872 6.193 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.735 7.662 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.251 8.381 5.388 1.00 0.00 H new ATOM 1438 N MET A 97 0.025 6.527 3.476 1.00 0.00 N ATOM 1439 CA MET A 97 -0.085 5.948 2.095 1.00 0.00 C ATOM 1440 C MET A 97 0.291 4.449 1.907 1.00 0.00 C ATOM 1441 O MET A 97 1.384 4.121 1.483 1.00 0.00 O ATOM 1442 CB MET A 97 0.781 6.881 1.231 1.00 0.00 C ATOM 1443 CG MET A 97 0.202 8.298 1.174 1.00 0.00 C ATOM 1444 SD MET A 97 0.953 9.464 0.008 1.00 0.00 S ATOM 1445 CE MET A 97 -0.315 9.449 -1.283 1.00 0.00 C ATOM 0 H MET A 97 0.980 6.641 3.816 1.00 0.00 H new ATOM 0 HA MET A 97 -1.137 5.913 1.811 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.793 6.917 1.635 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.856 6.477 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.858 8.218 0.934 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.271 8.730 2.172 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.161 9.514 -2.261 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.888 8.524 -1.219 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.983 10.300 -1.147 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.623 3.587 2.256 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.406 2.098 2.119 1.00 0.00 C ATOM 1457 C VAL A 98 -1.408 1.416 1.141 1.00 0.00 C ATOM 1458 O VAL A 98 -2.590 1.697 1.215 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.555 1.453 3.518 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.147 -0.033 3.460 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.342 2.146 4.547 1.00 0.00 C ATOM 0 H VAL A 98 -1.532 3.846 2.639 1.00 0.00 H new ATOM 0 HA VAL A 98 0.591 1.950 1.705 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.599 1.557 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.255 -0.479 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.788 -0.559 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.891 -0.113 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.215 1.670 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.383 2.063 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.067 3.198 4.619 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.961 0.564 0.248 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.921 -0.123 -0.705 1.00 0.00 C ATOM 1473 C GLY A 99 -1.702 -1.633 -0.752 1.00 0.00 C ATOM 1474 O GLY A 99 -0.651 -2.130 -0.399 1.00 0.00 O ATOM 0 H GLY A 99 0.020 0.309 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.946 0.085 -0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.797 0.292 -1.705 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.698 -2.348 -1.177 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.599 -3.843 -1.272 1.00 0.00 C ATOM 1480 C LYS A 100 -3.021 -4.458 -2.637 1.00 0.00 C ATOM 1481 O LYS A 100 -4.026 -4.107 -3.223 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.449 -4.380 -0.093 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.655 -4.085 1.203 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.418 -4.472 2.502 1.00 0.00 C ATOM 1485 CE LYS A 100 -4.013 -5.855 2.426 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.916 -6.816 2.109 1.00 0.00 N ATOM 0 H LYS A 100 -3.596 -1.963 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.553 -4.143 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.425 -3.895 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.628 -5.450 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.710 -4.627 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.412 -3.023 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.736 -4.418 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.211 -3.747 2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.487 -6.118 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.787 -5.895 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.312 -7.772 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.451 -6.532 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.220 -6.815 2.881 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.221 -5.374 -3.106 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.479 -6.076 -4.414 1.00 0.00 C ATOM 1502 C ILE A 101 -2.848 -7.550 -4.095 1.00 0.00 C ATOM 1503 O ILE A 101 -2.064 -8.297 -3.545 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.166 -5.978 -5.325 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.638 -5.933 -6.808 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.236 -7.209 -5.177 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.487 -6.271 -7.822 1.00 0.00 C ATOM 0 H ILE A 101 -1.373 -5.680 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.300 -5.616 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.607 -5.094 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.457 -6.639 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.032 -4.941 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.637 -7.085 -5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.086 -7.299 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.776 -8.110 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.874 -6.224 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.322 -5.550 -7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.110 -7.274 -7.623 1.00 0.00 H new ATOM 1519 N THR A 102 -4.031 -7.954 -4.439 1.00 0.00 N ATOM 1520 CA THR A 102 -4.485 -9.370 -4.168 1.00 0.00 C ATOM 1521 C THR A 102 -4.288 -10.145 -5.458 1.00 0.00 C ATOM 1522 O THR A 102 -5.029 -9.963 -6.400 1.00 0.00 O ATOM 1523 CB THR A 102 -5.995 -9.474 -3.824 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.431 -8.197 -3.388 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.204 -10.220 -2.534 1.00 0.00 C ATOM 0 H THR A 102 -4.724 -7.367 -4.904 1.00 0.00 H new ATOM 0 HA THR A 102 -3.915 -9.747 -3.319 1.00 0.00 H new ATOM 0 HB THR A 102 -6.482 -9.910 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.265 -7.962 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.270 -10.279 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.797 -11.227 -2.626 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.697 -9.696 -1.724 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.320 -10.999 -5.515 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.091 -11.776 -6.769 1.00 0.00 C ATOM 1535 C VAL A 103 -3.878 -13.088 -6.637 1.00 0.00 C ATOM 1536 O VAL A 103 -3.579 -13.905 -5.790 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.552 -11.992 -6.895 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.197 -12.390 -8.306 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.749 -10.744 -6.491 1.00 0.00 C ATOM 0 H VAL A 103 -2.672 -11.200 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.434 -11.271 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.284 -12.792 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.120 -12.538 -8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.710 -13.317 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.505 -11.603 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.317 -10.947 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.025 -9.909 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.969 -10.490 -5.454 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.874 -13.250 -7.461 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.711 -14.497 -7.413 1.00 0.00 C ATOM 1551 C ALA A 104 -5.835 -15.226 -8.782 1.00 0.00 C ATOM 1552 O ALA A 104 -5.233 -16.261 -8.998 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.078 -14.042 -6.843 1.00 0.00 C ATOM 0 H ALA A 104 -5.152 -12.573 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.243 -15.254 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.748 -14.899 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.935 -13.616 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.514 -13.290 -7.501 1.00 0.00 H new ATOM 1559 N GLY A 105 -6.614 -14.633 -9.637 1.00 0.00 N ATOM 1560 CA GLY A 105 -6.901 -15.127 -11.023 1.00 0.00 C ATOM 1561 C GLY A 105 -6.997 -13.912 -11.936 1.00 0.00 C ATOM 1562 O GLY A 105 -7.477 -12.904 -11.440 1.00 0.00 O ATOM 1563 OXT GLY A 105 -6.593 -14.061 -13.072 1.00 0.00 O ATOM 0 H GLY A 105 -7.100 -13.763 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.112 -15.798 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.832 -15.694 -11.042 1.00 0.00 H new