USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 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 66 HIS : no HD1:sc= -2.51 K(o=-5,f=-6.9) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -2.52 K(o=-5,f=-6.3) USER MOD Set 2.1: A 12 GLN : amide:sc= -2.09 K(o=-2.6,f=-4!) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.52 K(o=-2.6,f=-4) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.143) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -0.0974 (180deg=-0.54) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -71:sc= 0.743 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.881 F(o=-1.4,f=-0.88) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 106:sc= -0.4 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 115:sc= 1.99 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.155 K(o=-0.16,f=-3.5!) USER MOD Single : A 81 LYS NZ :NH3+ -152:sc= 0.5 (180deg=-0.431) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0432 (180deg=-0.282) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.749 K(o=-0.75,f=-2.2!) USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= -0.159 (180deg=-0.513) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 3.604 -4.040 -1.832 1.00 0.00 N ATOM 30 CA PHE A 3 3.387 -5.309 -1.147 1.00 0.00 C ATOM 31 C PHE A 3 4.584 -6.238 -1.330 1.00 0.00 C ATOM 32 O PHE A 3 5.297 -6.162 -2.331 1.00 0.00 O ATOM 33 CB PHE A 3 2.118 -5.986 -1.671 1.00 0.00 C ATOM 34 CG PHE A 3 1.534 -6.986 -0.715 1.00 0.00 C ATOM 35 CD1 PHE A 3 2.009 -8.287 -0.678 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.510 -6.626 0.145 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.474 -9.211 0.200 1.00 0.00 C ATOM 38 CE2 PHE A 3 -0.028 -7.545 1.026 1.00 0.00 C ATOM 39 CZ PHE A 3 0.453 -8.839 1.053 1.00 0.00 C ATOM 0 HA PHE A 3 3.268 -5.103 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.371 -5.222 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.345 -6.485 -2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.807 -8.583 -1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.128 -5.616 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.854 -10.222 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.825 -7.251 1.693 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.032 -9.559 1.739 1.00 0.00 H new ATOM 49 N LYS A 4 4.800 -7.114 -0.354 1.00 0.00 N ATOM 50 CA LYS A 4 5.910 -8.058 -0.405 1.00 0.00 C ATOM 51 C LYS A 4 5.476 -9.434 0.091 1.00 0.00 C ATOM 52 O LYS A 4 4.665 -9.546 1.010 1.00 0.00 O ATOM 53 CB LYS A 4 7.081 -7.547 0.437 1.00 0.00 C ATOM 54 CG LYS A 4 8.063 -6.690 -0.343 1.00 0.00 C ATOM 55 CD LYS A 4 8.898 -7.528 -1.297 1.00 0.00 C ATOM 56 CE LYS A 4 9.395 -6.703 -2.474 1.00 0.00 C ATOM 57 NZ LYS A 4 10.078 -5.457 -2.030 1.00 0.00 N ATOM 0 H LYS A 4 4.221 -7.190 0.482 1.00 0.00 H new ATOM 0 HA LYS A 4 6.230 -8.149 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.690 -6.967 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.612 -8.399 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.519 -5.931 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.719 -6.164 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.749 -7.951 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.304 -8.365 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.083 -7.301 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.554 -6.446 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.604 -5.046 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.370 -4.774 -1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.738 -5.679 -1.258 1.00 0.00 H new ATOM 71 N PHE A 5 6.022 -10.478 -0.524 1.00 0.00 N ATOM 72 CA PHE A 5 5.692 -11.847 -0.144 1.00 0.00 C ATOM 73 C PHE A 5 5.866 -12.052 1.358 1.00 0.00 C ATOM 74 O PHE A 5 6.969 -11.931 1.888 1.00 0.00 O ATOM 75 CB PHE A 5 6.570 -12.838 -0.911 1.00 0.00 C ATOM 76 CG PHE A 5 6.598 -12.592 -2.392 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.459 -12.173 -3.060 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.764 -12.780 -3.117 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.481 -11.947 -4.423 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.793 -12.556 -4.481 1.00 0.00 C ATOM 81 CZ PHE A 5 6.650 -12.138 -5.134 1.00 0.00 C ATOM 0 H PHE A 5 6.695 -10.402 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 5 4.647 -12.026 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.587 -12.786 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.209 -13.850 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.543 -12.021 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.661 -13.105 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.586 -11.622 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.708 -12.708 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.670 -11.961 -6.199 1.00 0.00 H new ATOM 91 N GLY A 6 4.766 -12.364 2.038 1.00 0.00 N ATOM 92 CA GLY A 6 4.818 -12.580 3.472 1.00 0.00 C ATOM 93 C GLY A 6 5.706 -13.748 3.851 1.00 0.00 C ATOM 94 O GLY A 6 6.380 -14.328 2.998 1.00 0.00 O ATOM 0 H GLY A 6 3.841 -12.471 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.184 -11.676 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.810 -12.758 3.846 1.00 0.00 H new ATOM 98 N LYS A 7 5.710 -14.095 5.133 1.00 0.00 N ATOM 99 CA LYS A 7 6.524 -15.201 5.625 1.00 0.00 C ATOM 100 C LYS A 7 6.139 -16.507 4.936 1.00 0.00 C ATOM 101 O LYS A 7 6.999 -17.327 4.617 1.00 0.00 O ATOM 102 CB LYS A 7 6.363 -15.345 7.140 1.00 0.00 C ATOM 103 CG LYS A 7 7.486 -16.128 7.798 1.00 0.00 C ATOM 104 CD LYS A 7 7.174 -17.614 7.850 1.00 0.00 C ATOM 105 CE LYS A 7 6.380 -17.975 9.096 1.00 0.00 C ATOM 106 NZ LYS A 7 7.171 -17.758 10.339 1.00 0.00 N ATOM 0 H LYS A 7 5.158 -13.626 5.851 1.00 0.00 H new ATOM 0 HA LYS A 7 7.567 -14.983 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.312 -14.353 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.414 -15.839 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.413 -15.969 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.648 -15.754 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.609 -17.899 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.104 -18.183 7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.471 -17.375 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.070 -19.019 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.819 -18.387 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.173 -17.966 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.074 -16.768 10.644 1.00 0.00 H new ATOM 120 N ASN A 8 4.843 -16.692 4.709 1.00 0.00 N ATOM 121 CA ASN A 8 4.346 -17.898 4.057 1.00 0.00 C ATOM 122 C ASN A 8 4.580 -17.838 2.550 1.00 0.00 C ATOM 123 O ASN A 8 5.042 -18.805 1.945 1.00 0.00 O ATOM 124 CB ASN A 8 2.854 -18.080 4.345 1.00 0.00 C ATOM 125 CG ASN A 8 2.598 -18.659 5.723 1.00 0.00 C ATOM 126 OD1 ASN A 8 2.840 -19.842 5.966 1.00 0.00 O ATOM 127 ND2 ASN A 8 2.105 -17.827 6.632 1.00 0.00 N ATOM 0 H ASN A 8 4.118 -16.022 4.967 1.00 0.00 H new ATOM 0 HA ASN A 8 4.894 -18.750 4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.350 -17.117 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.419 -18.736 3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.911 -18.160 7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.920 -16.855 6.386 1.00 0.00 H new ATOM 134 N SER A 9 4.259 -16.695 1.952 1.00 0.00 N ATOM 135 CA SER A 9 4.432 -16.509 0.516 1.00 0.00 C ATOM 136 C SER A 9 5.860 -16.840 0.093 1.00 0.00 C ATOM 137 O SER A 9 6.081 -17.659 -0.798 1.00 0.00 O ATOM 138 CB SER A 9 4.092 -15.071 0.122 1.00 0.00 C ATOM 139 OG SER A 9 2.750 -14.756 0.451 1.00 0.00 O ATOM 0 H SER A 9 3.878 -15.884 2.440 1.00 0.00 H new ATOM 0 HA SER A 9 3.753 -17.189 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.766 -14.382 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.248 -14.937 -0.948 1.00 0.00 H new ATOM 0 HG SER A 9 2.558 -13.831 0.191 1.00 0.00 H new ATOM 145 N GLU A 10 6.827 -16.196 0.741 1.00 0.00 N ATOM 146 CA GLU A 10 8.234 -16.421 0.432 1.00 0.00 C ATOM 147 C GLU A 10 8.564 -17.911 0.451 1.00 0.00 C ATOM 148 O GLU A 10 9.381 -18.388 -0.337 1.00 0.00 O ATOM 149 CB GLU A 10 9.123 -15.678 1.431 1.00 0.00 C ATOM 150 CG GLU A 10 10.610 -15.847 1.165 1.00 0.00 C ATOM 151 CD GLU A 10 10.952 -15.760 -0.310 1.00 0.00 C ATOM 152 OE1 GLU A 10 10.389 -14.886 -1.000 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.785 -16.568 -0.773 1.00 0.00 O ATOM 0 H GLU A 10 6.661 -15.515 1.482 1.00 0.00 H new ATOM 0 HA GLU A 10 8.426 -16.037 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.876 -14.617 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.900 -16.033 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.162 -15.080 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.938 -16.811 1.554 1.00 0.00 H new ATOM 160 N LYS A 11 7.922 -18.641 1.357 1.00 0.00 N ATOM 161 CA LYS A 11 8.145 -20.077 1.480 1.00 0.00 C ATOM 162 C LYS A 11 7.449 -20.834 0.353 1.00 0.00 C ATOM 163 O LYS A 11 7.927 -21.877 -0.092 1.00 0.00 O ATOM 164 CB LYS A 11 7.639 -20.578 2.834 1.00 0.00 C ATOM 165 CG LYS A 11 7.764 -22.081 3.012 1.00 0.00 C ATOM 166 CD LYS A 11 6.401 -22.748 3.094 1.00 0.00 C ATOM 167 CE LYS A 11 5.957 -23.278 1.739 1.00 0.00 C ATOM 168 NZ LYS A 11 5.088 -24.480 1.872 1.00 0.00 N ATOM 0 H LYS A 11 7.243 -18.262 2.017 1.00 0.00 H new ATOM 0 HA LYS A 11 9.217 -20.261 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.195 -20.079 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.593 -20.293 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.326 -22.502 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.330 -22.295 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.438 -23.567 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.667 -22.033 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.418 -22.497 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.834 -23.528 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.806 -24.811 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.611 -25.234 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.239 -24.236 2.420 1.00 0.00 H new ATOM 182 N GLN A 12 6.320 -20.301 -0.103 1.00 0.00 N ATOM 183 CA GLN A 12 5.560 -20.928 -1.178 1.00 0.00 C ATOM 184 C GLN A 12 6.365 -20.947 -2.473 1.00 0.00 C ATOM 185 O GLN A 12 6.470 -21.980 -3.136 1.00 0.00 O ATOM 186 CB GLN A 12 4.239 -20.188 -1.395 1.00 0.00 C ATOM 187 CG GLN A 12 3.221 -20.423 -0.291 1.00 0.00 C ATOM 188 CD GLN A 12 1.861 -19.841 -0.617 1.00 0.00 C ATOM 189 OE1 GLN A 12 0.830 -20.478 -0.395 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.849 -18.624 -1.148 1.00 0.00 N ATOM 0 H GLN A 12 5.912 -19.437 0.255 1.00 0.00 H new ATOM 0 HA GLN A 12 5.348 -21.957 -0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.439 -19.119 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.809 -20.501 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.121 -21.494 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.588 -19.982 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.727 -18.132 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.962 -18.181 -1.389 1.00 0.00 H new ATOM 199 N LEU A 13 6.931 -19.799 -2.829 1.00 0.00 N ATOM 200 CA LEU A 13 7.727 -19.684 -4.047 1.00 0.00 C ATOM 201 C LEU A 13 9.100 -20.322 -3.862 1.00 0.00 C ATOM 202 O LEU A 13 9.702 -20.809 -4.818 1.00 0.00 O ATOM 203 CB LEU A 13 7.883 -18.214 -4.440 1.00 0.00 C ATOM 204 CG LEU A 13 6.598 -17.482 -4.826 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.745 -18.348 -5.741 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.815 -17.084 -3.583 1.00 0.00 C ATOM 0 H LEU A 13 6.854 -18.935 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 13 7.206 -20.213 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.343 -17.683 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.577 -18.155 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 13 6.868 -16.574 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.834 -17.811 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.305 -18.581 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.484 -19.273 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.904 -16.564 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.555 -17.977 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.424 -16.425 -2.965 1.00 0.00 H new ATOM 218 N ALA A 14 9.588 -20.316 -2.626 1.00 0.00 N ATOM 219 CA ALA A 14 10.888 -20.898 -2.316 1.00 0.00 C ATOM 220 C ALA A 14 10.831 -22.421 -2.354 1.00 0.00 C ATOM 221 O ALA A 14 11.862 -23.093 -2.313 1.00 0.00 O ATOM 222 CB ALA A 14 11.368 -20.420 -0.954 1.00 0.00 C ATOM 0 H ALA A 14 9.103 -19.915 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 14 11.597 -20.568 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.340 -20.862 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.457 -19.334 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.652 -20.721 -0.190 1.00 0.00 H new ATOM 228 N THR A 15 9.619 -22.962 -2.433 1.00 0.00 N ATOM 229 CA THR A 15 9.427 -24.406 -2.474 1.00 0.00 C ATOM 230 C THR A 15 9.117 -24.879 -3.890 1.00 0.00 C ATOM 231 O THR A 15 8.817 -26.052 -4.112 1.00 0.00 O ATOM 232 CB THR A 15 8.288 -24.849 -1.537 1.00 0.00 C ATOM 233 OG1 THR A 15 7.232 -23.883 -1.559 1.00 0.00 O ATOM 234 CG2 THR A 15 8.795 -25.020 -0.113 1.00 0.00 C ATOM 0 H THR A 15 8.755 -22.421 -2.470 1.00 0.00 H new ATOM 0 HA THR A 15 10.360 -24.858 -2.138 1.00 0.00 H new ATOM 0 HB THR A 15 7.910 -25.809 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.524 -23.069 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.973 -25.333 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.579 -25.777 -0.094 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.197 -24.073 0.246 1.00 0.00 H new ATOM 242 N VAL A 16 9.193 -23.959 -4.846 1.00 0.00 N ATOM 243 CA VAL A 16 8.922 -24.282 -6.242 1.00 0.00 C ATOM 244 C VAL A 16 10.091 -25.034 -6.868 1.00 0.00 C ATOM 245 O VAL A 16 11.253 -24.767 -6.559 1.00 0.00 O ATOM 246 CB VAL A 16 8.640 -23.013 -7.068 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.939 -22.304 -7.418 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.856 -23.360 -8.325 1.00 0.00 C ATOM 0 H VAL A 16 9.440 -22.984 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 16 8.036 -24.917 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 16 8.035 -22.335 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.720 -21.410 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.457 -22.021 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.572 -22.972 -8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.665 -22.452 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.433 -24.057 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.908 -23.820 -8.047 1.00 0.00 H new ATOM 258 N LYS A 17 9.777 -25.975 -7.752 1.00 0.00 N ATOM 259 CA LYS A 17 10.801 -26.765 -8.425 1.00 0.00 C ATOM 260 C LYS A 17 11.549 -25.924 -9.453 1.00 0.00 C ATOM 261 O LYS A 17 12.763 -25.735 -9.372 1.00 0.00 O ATOM 262 CB LYS A 17 10.169 -27.981 -9.108 1.00 0.00 C ATOM 263 CG LYS A 17 10.669 -29.310 -8.569 1.00 0.00 C ATOM 264 CD LYS A 17 12.071 -29.621 -9.066 1.00 0.00 C ATOM 265 CE LYS A 17 12.038 -30.458 -10.336 1.00 0.00 C ATOM 266 NZ LYS A 17 13.382 -31.004 -10.675 1.00 0.00 N ATOM 0 H LYS A 17 8.821 -26.209 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 17 11.513 -27.106 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.087 -27.933 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.372 -27.933 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.665 -29.286 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.989 -30.106 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.606 -28.690 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.623 -30.154 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.333 -31.280 -10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.674 -29.849 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.318 -31.568 -11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.049 -30.219 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.719 -31.606 -9.897 1.00 0.00 H new ATOM 280 N PRO A 18 10.811 -25.403 -10.445 1.00 0.00 N ATOM 281 CA PRO A 18 11.384 -24.571 -11.506 1.00 0.00 C ATOM 282 C PRO A 18 11.835 -23.207 -10.994 1.00 0.00 C ATOM 283 O PRO A 18 11.968 -23.000 -9.789 1.00 0.00 O ATOM 284 CB PRO A 18 10.228 -24.415 -12.498 1.00 0.00 C ATOM 285 CG PRO A 18 8.998 -24.596 -11.677 1.00 0.00 C ATOM 286 CD PRO A 18 9.358 -25.587 -10.605 1.00 0.00 C ATOM 0 HA PRO A 18 12.277 -25.021 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.245 -23.435 -12.975 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.286 -25.158 -13.294 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.677 -23.650 -11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.172 -24.963 -12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.823 -25.387 -9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.112 -26.607 -10.901 1.00 0.00 H new ATOM 294 N GLU A 19 12.068 -22.281 -11.919 1.00 0.00 N ATOM 295 CA GLU A 19 12.504 -20.936 -11.559 1.00 0.00 C ATOM 296 C GLU A 19 11.432 -19.906 -11.902 1.00 0.00 C ATOM 297 O GLU A 19 11.727 -18.725 -12.089 1.00 0.00 O ATOM 298 CB GLU A 19 13.809 -20.590 -12.279 1.00 0.00 C ATOM 299 CG GLU A 19 13.767 -20.852 -13.775 1.00 0.00 C ATOM 300 CD GLU A 19 14.470 -22.139 -14.161 1.00 0.00 C ATOM 301 OE1 GLU A 19 13.869 -23.219 -13.984 1.00 0.00 O ATOM 302 OE2 GLU A 19 15.621 -22.066 -14.640 1.00 0.00 O ATOM 0 H GLU A 19 11.962 -22.437 -12.922 1.00 0.00 H new ATOM 0 HA GLU A 19 12.674 -20.912 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.040 -19.538 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.621 -21.170 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.729 -20.897 -14.103 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.231 -20.017 -14.300 1.00 0.00 H new ATOM 309 N LEU A 20 10.187 -20.362 -11.985 1.00 0.00 N ATOM 310 CA LEU A 20 9.069 -19.482 -12.306 1.00 0.00 C ATOM 311 C LEU A 20 8.973 -18.336 -11.304 1.00 0.00 C ATOM 312 O LEU A 20 8.634 -17.210 -11.665 1.00 0.00 O ATOM 313 CB LEU A 20 7.760 -20.272 -12.323 1.00 0.00 C ATOM 314 CG LEU A 20 7.183 -20.643 -10.956 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.341 -19.503 -10.405 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.358 -21.919 -11.054 1.00 0.00 C ATOM 0 H LEU A 20 9.926 -21.337 -11.834 1.00 0.00 H new ATOM 0 HA LEU A 20 9.243 -19.060 -13.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.014 -19.690 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.920 -21.190 -12.889 1.00 0.00 H new ATOM 0 HG LEU A 20 8.011 -20.821 -10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.939 -19.785 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.960 -18.612 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.520 -19.293 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.955 -22.168 -10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.537 -21.769 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.990 -22.735 -11.404 1.00 0.00 H new ATOM 328 N GLN A 21 9.274 -18.633 -10.044 1.00 0.00 N ATOM 329 CA GLN A 21 9.223 -17.627 -8.989 1.00 0.00 C ATOM 330 C GLN A 21 10.043 -16.398 -9.369 1.00 0.00 C ATOM 331 O GLN A 21 9.738 -15.281 -8.950 1.00 0.00 O ATOM 332 CB GLN A 21 9.737 -18.211 -7.672 1.00 0.00 C ATOM 333 CG GLN A 21 11.164 -18.728 -7.752 1.00 0.00 C ATOM 334 CD GLN A 21 11.655 -19.295 -6.435 1.00 0.00 C ATOM 335 OE1 GLN A 21 12.258 -20.477 -6.486 1.00 0.00 O flip ATOM 336 NE2 GLN A 21 11.493 -18.677 -5.382 1.00 0.00 N flip ATOM 0 H GLN A 21 9.556 -19.561 -9.729 1.00 0.00 H new ATOM 0 HA GLN A 21 8.184 -17.323 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.679 -17.446 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.081 -19.025 -7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.224 -19.499 -8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.823 -17.917 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.024 -17.771 -5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.828 -19.071 -4.503 1.00 0.00 H new ATOM 345 N LYS A 22 11.085 -16.611 -10.164 1.00 0.00 N ATOM 346 CA LYS A 22 11.950 -15.522 -10.602 1.00 0.00 C ATOM 347 C LYS A 22 11.134 -14.407 -11.250 1.00 0.00 C ATOM 348 O LYS A 22 11.198 -13.252 -10.829 1.00 0.00 O ATOM 349 CB LYS A 22 12.999 -16.040 -11.588 1.00 0.00 C ATOM 350 CG LYS A 22 14.023 -16.967 -10.955 1.00 0.00 C ATOM 351 CD LYS A 22 15.337 -16.950 -11.718 1.00 0.00 C ATOM 352 CE LYS A 22 16.136 -15.689 -11.424 1.00 0.00 C ATOM 353 NZ LYS A 22 17.337 -15.578 -12.296 1.00 0.00 N ATOM 0 H LYS A 22 11.352 -17.529 -10.519 1.00 0.00 H new ATOM 0 HA LYS A 22 12.455 -15.117 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.495 -16.568 -12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.517 -15.191 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.197 -16.667 -9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.629 -17.983 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.926 -17.827 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.139 -17.015 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.501 -14.815 -11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.445 -15.690 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.854 -14.706 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.956 -16.399 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.041 -15.551 -13.293 1.00 0.00 H new ATOM 367 N VAL A 23 10.367 -14.761 -12.276 1.00 0.00 N ATOM 368 CA VAL A 23 9.537 -13.791 -12.981 1.00 0.00 C ATOM 369 C VAL A 23 8.561 -13.109 -12.029 1.00 0.00 C ATOM 370 O VAL A 23 8.317 -11.907 -12.131 1.00 0.00 O ATOM 371 CB VAL A 23 8.745 -14.455 -14.122 1.00 0.00 C ATOM 372 CG1 VAL A 23 7.482 -13.663 -14.426 1.00 0.00 C ATOM 373 CG2 VAL A 23 9.612 -14.589 -15.365 1.00 0.00 C ATOM 0 H VAL A 23 10.303 -15.713 -12.638 1.00 0.00 H new ATOM 0 HA VAL A 23 10.210 -13.045 -13.403 1.00 0.00 H new ATOM 0 HB VAL A 23 8.451 -15.455 -13.803 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.935 -14.147 -15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.854 -13.624 -13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.751 -12.650 -14.725 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.036 -15.060 -16.161 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.938 -13.601 -15.689 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.484 -15.202 -15.136 1.00 0.00 H new ATOM 383 N ALA A 24 8.007 -13.884 -11.103 1.00 0.00 N ATOM 384 CA ALA A 24 7.059 -13.354 -10.130 1.00 0.00 C ATOM 385 C ALA A 24 7.687 -12.237 -9.304 1.00 0.00 C ATOM 386 O ALA A 24 7.127 -11.147 -9.190 1.00 0.00 O ATOM 387 CB ALA A 24 6.557 -14.467 -9.222 1.00 0.00 C ATOM 0 H ALA A 24 8.198 -14.881 -11.006 1.00 0.00 H new ATOM 0 HA ALA A 24 6.213 -12.935 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.850 -14.057 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.062 -15.230 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.399 -14.912 -8.692 1.00 0.00 H new ATOM 393 N ARG A 25 8.852 -12.516 -8.729 1.00 0.00 N ATOM 394 CA ARG A 25 9.555 -11.535 -7.911 1.00 0.00 C ATOM 395 C ARG A 25 9.875 -10.282 -8.721 1.00 0.00 C ATOM 396 O ARG A 25 9.510 -9.171 -8.336 1.00 0.00 O ATOM 397 CB ARG A 25 10.845 -12.137 -7.350 1.00 0.00 C ATOM 398 CG ARG A 25 10.630 -13.433 -6.586 1.00 0.00 C ATOM 399 CD ARG A 25 11.740 -14.434 -6.865 1.00 0.00 C ATOM 400 NE ARG A 25 13.057 -13.899 -6.531 1.00 0.00 N ATOM 401 CZ ARG A 25 14.189 -14.570 -6.709 1.00 0.00 C ATOM 402 NH1 ARG A 25 14.166 -15.795 -7.215 1.00 0.00 N ATOM 403 NH2 ARG A 25 15.349 -14.015 -6.381 1.00 0.00 N ATOM 0 H ARG A 25 9.329 -13.413 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 25 8.904 -11.255 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.538 -12.320 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.318 -11.410 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.587 -13.224 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.669 -13.866 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.562 -15.343 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.719 -14.714 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 25 13.110 -12.959 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.277 -16.225 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.038 -16.307 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.371 -13.072 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.218 -14.531 -6.518 1.00 0.00 H new ATOM 417 N ARG A 26 10.561 -10.469 -9.844 1.00 0.00 N ATOM 418 CA ARG A 26 10.933 -9.354 -10.707 1.00 0.00 C ATOM 419 C ARG A 26 9.696 -8.591 -11.171 1.00 0.00 C ATOM 420 O ARG A 26 9.707 -7.363 -11.254 1.00 0.00 O ATOM 421 CB ARG A 26 11.718 -9.859 -11.918 1.00 0.00 C ATOM 422 CG ARG A 26 13.214 -9.969 -11.671 1.00 0.00 C ATOM 423 CD ARG A 26 14.013 -9.322 -12.792 1.00 0.00 C ATOM 424 NE ARG A 26 15.452 -9.403 -12.556 1.00 0.00 N ATOM 425 CZ ARG A 26 16.116 -8.566 -11.767 1.00 0.00 C ATOM 426 NH1 ARG A 26 15.473 -7.589 -11.141 1.00 0.00 N ATOM 427 NH2 ARG A 26 17.425 -8.704 -11.602 1.00 0.00 N ATOM 0 H ARG A 26 10.870 -11.382 -10.177 1.00 0.00 H new ATOM 0 HA ARG A 26 11.563 -8.676 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.333 -10.837 -12.208 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.545 -9.187 -12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.463 -9.492 -10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.493 -11.019 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.773 -9.810 -13.737 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.720 -8.277 -12.889 1.00 0.00 H new ATOM 0 HE ARG A 26 15.976 -10.143 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.467 -7.479 -11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.985 -6.947 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.923 -9.454 -12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.933 -8.060 -10.996 1.00 0.00 H new ATOM 441 N ALA A 27 8.632 -9.327 -11.474 1.00 0.00 N ATOM 442 CA ALA A 27 7.387 -8.720 -11.929 1.00 0.00 C ATOM 443 C ALA A 27 6.839 -7.747 -10.890 1.00 0.00 C ATOM 444 O ALA A 27 6.364 -6.662 -11.229 1.00 0.00 O ATOM 445 CB ALA A 27 6.358 -9.796 -12.242 1.00 0.00 C ATOM 0 H ALA A 27 8.607 -10.345 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 27 7.597 -8.159 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.434 -9.328 -12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.742 -10.450 -13.025 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.160 -10.382 -11.345 1.00 0.00 H new ATOM 451 N LEU A 28 6.906 -8.142 -9.624 1.00 0.00 N ATOM 452 CA LEU A 28 6.415 -7.306 -8.534 1.00 0.00 C ATOM 453 C LEU A 28 6.953 -5.883 -8.655 1.00 0.00 C ATOM 454 O LEU A 28 6.250 -4.917 -8.361 1.00 0.00 O ATOM 455 CB LEU A 28 6.819 -7.902 -7.185 1.00 0.00 C ATOM 456 CG LEU A 28 5.874 -7.620 -6.016 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.757 -8.841 -5.117 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.354 -6.415 -5.221 1.00 0.00 C ATOM 0 H LEU A 28 7.296 -9.036 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 28 5.327 -7.271 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.910 -8.982 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.808 -7.525 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 28 4.886 -7.395 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.081 -8.621 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.366 -9.680 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.740 -9.098 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.670 -6.229 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.352 -6.612 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.385 -5.540 -5.870 1.00 0.00 H new ATOM 470 N GLU A 29 8.203 -5.764 -9.092 1.00 0.00 N ATOM 471 CA GLU A 29 8.834 -4.459 -9.253 1.00 0.00 C ATOM 472 C GLU A 29 8.618 -3.921 -10.665 1.00 0.00 C ATOM 473 O GLU A 29 8.174 -2.787 -10.848 1.00 0.00 O ATOM 474 CB GLU A 29 10.332 -4.552 -8.954 1.00 0.00 C ATOM 475 CG GLU A 29 10.659 -5.410 -7.744 1.00 0.00 C ATOM 476 CD GLU A 29 11.706 -4.779 -6.847 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.850 -4.591 -7.311 1.00 0.00 O ATOM 478 OE2 GLU A 29 11.381 -4.472 -5.681 1.00 0.00 O ATOM 0 H GLU A 29 8.798 -6.554 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 29 8.372 -3.770 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.843 -4.959 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.725 -3.548 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.749 -5.582 -7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.013 -6.385 -8.080 1.00 0.00 H new ATOM 485 N LEU A 30 8.935 -4.742 -11.659 1.00 0.00 N ATOM 486 CA LEU A 30 8.777 -4.350 -13.055 1.00 0.00 C ATOM 487 C LEU A 30 7.380 -3.792 -13.309 1.00 0.00 C ATOM 488 O LEU A 30 7.228 -2.671 -13.793 1.00 0.00 O ATOM 489 CB LEU A 30 9.036 -5.546 -13.974 1.00 0.00 C ATOM 490 CG LEU A 30 10.464 -6.092 -13.978 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.527 -7.415 -14.726 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.420 -5.082 -14.597 1.00 0.00 C ATOM 0 H LEU A 30 9.303 -5.684 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 30 9.505 -3.569 -13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.361 -6.352 -13.687 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.775 -5.259 -14.993 1.00 0.00 H new ATOM 0 HG LEU A 30 10.769 -6.266 -12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.551 -7.789 -14.719 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.873 -8.139 -14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.202 -7.267 -15.756 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.432 -5.488 -14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.117 -4.876 -15.624 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.397 -4.158 -14.020 1.00 0.00 H new ATOM 504 N SER A 31 6.364 -4.582 -12.978 1.00 0.00 N ATOM 505 CA SER A 31 4.979 -4.168 -13.171 1.00 0.00 C ATOM 506 C SER A 31 4.713 -2.829 -12.491 1.00 0.00 C ATOM 507 O SER A 31 5.437 -2.406 -11.589 1.00 0.00 O ATOM 508 CB SER A 31 4.025 -5.230 -12.622 1.00 0.00 C ATOM 509 OG SER A 31 3.537 -4.865 -11.343 1.00 0.00 O ATOM 0 H SER A 31 6.474 -5.512 -12.575 1.00 0.00 H new ATOM 0 HA SER A 31 4.806 -4.054 -14.241 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.189 -5.363 -13.309 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.541 -6.188 -12.558 1.00 0.00 H new ATOM 0 HG SER A 31 2.603 -4.577 -11.419 1.00 0.00 H new ATOM 515 N PRO A 32 3.648 -2.143 -12.932 1.00 0.00 N ATOM 516 CA PRO A 32 3.260 -0.842 -12.380 1.00 0.00 C ATOM 517 C PRO A 32 2.722 -0.953 -10.957 1.00 0.00 C ATOM 518 O PRO A 32 3.136 -0.209 -10.067 1.00 0.00 O ATOM 519 CB PRO A 32 2.159 -0.366 -13.332 1.00 0.00 C ATOM 520 CG PRO A 32 1.594 -1.617 -13.912 1.00 0.00 C ATOM 521 CD PRO A 32 2.740 -2.586 -14.003 1.00 0.00 C ATOM 0 HA PRO A 32 4.107 -0.160 -12.311 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.396 0.204 -12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.561 0.284 -14.109 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.797 -2.013 -13.283 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.162 -1.431 -14.895 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.410 -3.614 -13.851 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.222 -2.548 -14.980 1.00 0.00 H new ATOM 529 N TYR A 33 1.799 -1.885 -10.750 1.00 0.00 N ATOM 530 CA TYR A 33 1.203 -2.092 -9.435 1.00 0.00 C ATOM 531 C TYR A 33 1.680 -3.404 -8.821 1.00 0.00 C ATOM 532 O TYR A 33 1.719 -4.437 -9.489 1.00 0.00 O ATOM 533 CB TYR A 33 -0.323 -2.089 -9.538 1.00 0.00 C ATOM 534 CG TYR A 33 -0.845 -1.431 -10.795 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.655 -0.073 -11.022 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.528 -2.166 -11.756 1.00 0.00 C ATOM 537 CE1 TYR A 33 -1.130 0.533 -12.169 1.00 0.00 C ATOM 538 CE2 TYR A 33 -2.005 -1.569 -12.906 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.804 -0.220 -13.108 1.00 0.00 C ATOM 540 OH TYR A 33 -2.279 0.379 -14.253 1.00 0.00 O ATOM 0 H TYR A 33 1.447 -2.509 -11.476 1.00 0.00 H new ATOM 0 HA TYR A 33 1.519 -1.274 -8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.683 -3.117 -9.500 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.736 -1.574 -8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.127 0.519 -10.289 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.689 -3.223 -11.601 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.975 1.590 -12.330 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.533 -2.156 -13.643 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.728 -0.290 -14.810 1.00 0.00 H new ATOM 550 N ASP A 34 2.042 -3.355 -7.544 1.00 0.00 N ATOM 551 CA ASP A 34 2.515 -4.539 -6.837 1.00 0.00 C ATOM 552 C ASP A 34 1.444 -5.625 -6.819 1.00 0.00 C ATOM 553 O ASP A 34 0.301 -5.391 -7.212 1.00 0.00 O ATOM 554 CB ASP A 34 2.918 -4.178 -5.406 1.00 0.00 C ATOM 555 CG ASP A 34 1.856 -3.362 -4.695 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.622 -2.207 -5.107 1.00 0.00 O ATOM 557 OD2 ASP A 34 1.261 -3.878 -3.725 1.00 0.00 O ATOM 0 H ASP A 34 2.017 -2.507 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 34 3.387 -4.923 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.107 -5.092 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.852 -3.616 -5.425 1.00 0.00 H new ATOM 562 N PHE A 35 1.823 -6.814 -6.362 1.00 0.00 N ATOM 563 CA PHE A 35 0.895 -7.938 -6.295 1.00 0.00 C ATOM 564 C PHE A 35 1.206 -8.829 -5.095 1.00 0.00 C ATOM 565 O PHE A 35 2.363 -8.975 -4.698 1.00 0.00 O ATOM 566 CB PHE A 35 0.961 -8.759 -7.584 1.00 0.00 C ATOM 567 CG PHE A 35 2.153 -9.670 -7.655 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.122 -10.920 -7.059 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.305 -9.275 -8.316 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.217 -11.761 -7.123 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.403 -10.112 -8.383 1.00 0.00 C ATOM 572 CZ PHE A 35 4.360 -11.356 -7.784 1.00 0.00 C ATOM 0 H PHE A 35 2.765 -7.024 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.112 -7.539 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.053 -9.355 -7.672 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.981 -8.080 -8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.232 -11.241 -6.538 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.345 -8.302 -8.784 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.179 -12.734 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.294 -9.794 -8.903 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.218 -12.010 -7.832 1.00 0.00 H new ATOM 582 N THR A 36 0.164 -9.423 -4.521 1.00 0.00 N ATOM 583 CA THR A 36 0.324 -10.297 -3.366 1.00 0.00 C ATOM 584 C THR A 36 0.147 -11.760 -3.756 1.00 0.00 C ATOM 585 O THR A 36 -0.823 -12.122 -4.423 1.00 0.00 O ATOM 586 CB THR A 36 -0.683 -9.949 -2.254 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.510 -10.834 -1.142 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.112 -10.045 -2.768 1.00 0.00 C ATOM 0 H THR A 36 -0.800 -9.314 -4.838 1.00 0.00 H new ATOM 0 HA THR A 36 1.336 -10.143 -2.991 1.00 0.00 H new ATOM 0 HB THR A 36 -0.497 -8.924 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.200 -10.325 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.805 -9.795 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.249 -9.349 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.307 -11.060 -3.113 1.00 0.00 H new ATOM 596 N ILE A 37 1.089 -12.598 -3.335 1.00 0.00 N ATOM 597 CA ILE A 37 1.035 -14.022 -3.640 1.00 0.00 C ATOM 598 C ILE A 37 -0.037 -14.721 -2.810 1.00 0.00 C ATOM 599 O ILE A 37 -0.202 -14.438 -1.624 1.00 0.00 O ATOM 600 CB ILE A 37 2.392 -14.704 -3.384 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.382 -14.352 -4.496 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.216 -16.212 -3.282 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.172 -15.145 -5.766 1.00 0.00 C ATOM 0 H ILE A 37 1.898 -12.315 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 37 0.787 -14.110 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 37 2.792 -14.340 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.298 -13.289 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.396 -14.522 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.184 -16.680 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.541 -16.445 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.797 -16.593 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.909 -14.843 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.285 -16.208 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.170 -14.957 -6.151 1.00 0.00 H new ATOM 615 N VAL A 38 -0.762 -15.638 -3.443 1.00 0.00 N ATOM 616 CA VAL A 38 -1.817 -16.381 -2.763 1.00 0.00 C ATOM 617 C VAL A 38 -1.404 -17.830 -2.528 1.00 0.00 C ATOM 618 O VAL A 38 -1.603 -18.373 -1.442 1.00 0.00 O ATOM 619 CB VAL A 38 -3.129 -16.357 -3.569 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.258 -16.988 -2.769 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.481 -14.932 -3.970 1.00 0.00 C ATOM 0 H VAL A 38 -0.638 -15.884 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.980 -15.892 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.988 -16.942 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.177 -16.962 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.005 -18.022 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.402 -16.432 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.411 -14.933 -4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.604 -14.322 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.681 -14.519 -4.584 1.00 0.00 H new ATOM 631 N GLN A 39 -0.829 -18.450 -3.554 1.00 0.00 N ATOM 632 CA GLN A 39 -0.389 -19.836 -3.459 1.00 0.00 C ATOM 633 C GLN A 39 0.747 -20.115 -4.438 1.00 0.00 C ATOM 634 O GLN A 39 0.806 -19.530 -5.518 1.00 0.00 O ATOM 635 CB GLN A 39 -1.558 -20.785 -3.732 1.00 0.00 C ATOM 636 CG GLN A 39 -1.488 -22.080 -2.939 1.00 0.00 C ATOM 637 CD GLN A 39 -1.677 -21.863 -1.450 1.00 0.00 C ATOM 638 OE1 GLN A 39 -2.251 -20.860 -1.025 1.00 0.00 O ATOM 639 NE2 GLN A 39 -1.194 -22.805 -0.649 1.00 0.00 N ATOM 0 H GLN A 39 -0.657 -18.014 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.022 -20.005 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.492 -20.275 -3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.583 -21.021 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.253 -22.766 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.523 -22.557 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.725 -23.620 -1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.292 -22.714 0.362 1.00 0.00 H new ATOM 648 N GLY A 40 1.648 -21.014 -4.051 1.00 0.00 N ATOM 649 CA GLY A 40 2.770 -21.354 -4.906 1.00 0.00 C ATOM 650 C GLY A 40 2.985 -22.851 -5.012 1.00 0.00 C ATOM 651 O GLY A 40 2.948 -23.414 -6.107 1.00 0.00 O ATOM 0 H GLY A 40 1.620 -21.512 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.602 -20.943 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.674 -20.887 -4.516 1.00 0.00 H new ATOM 655 N ILE A 41 3.211 -23.497 -3.873 1.00 0.00 N ATOM 656 CA ILE A 41 3.434 -24.937 -3.843 1.00 0.00 C ATOM 657 C ILE A 41 2.587 -25.602 -2.763 1.00 0.00 C ATOM 658 O ILE A 41 2.349 -25.023 -1.703 1.00 0.00 O ATOM 659 CB ILE A 41 4.916 -25.272 -3.596 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.540 -25.881 -4.854 1.00 0.00 C ATOM 661 CG2 ILE A 41 5.055 -26.223 -2.416 1.00 0.00 C ATOM 662 CD1 ILE A 41 4.945 -27.219 -5.237 1.00 0.00 C ATOM 0 H ILE A 41 3.244 -23.046 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 41 3.141 -25.322 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 41 5.447 -24.350 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.415 -25.186 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.612 -26.001 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.109 -26.450 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.643 -25.756 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.513 -27.145 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.435 -27.591 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.093 -27.929 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.878 -27.102 -5.427 1.00 0.00 H new ATOM 674 N ARG A 42 2.135 -26.821 -3.040 1.00 0.00 N ATOM 675 CA ARG A 42 1.315 -27.565 -2.092 1.00 0.00 C ATOM 676 C ARG A 42 2.181 -28.462 -1.212 1.00 0.00 C ATOM 677 O ARG A 42 2.977 -29.258 -1.710 1.00 0.00 O ATOM 678 CB ARG A 42 0.278 -28.409 -2.835 1.00 0.00 C ATOM 679 CG ARG A 42 -0.969 -27.634 -3.228 1.00 0.00 C ATOM 680 CD ARG A 42 -2.206 -28.518 -3.200 1.00 0.00 C ATOM 681 NE ARG A 42 -3.213 -28.082 -4.164 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.499 -28.401 -4.079 1.00 0.00 C ATOM 683 NH1 ARG A 42 -4.934 -29.156 -3.079 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.354 -27.966 -4.995 1.00 0.00 N ATOM 0 H ARG A 42 2.323 -27.314 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 42 0.799 -26.847 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.736 -28.824 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.011 -29.251 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.106 -26.793 -2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.840 -27.218 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.920 -29.548 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.635 -28.509 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.912 -27.500 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.280 -29.493 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.923 -29.399 -3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.024 -27.386 -5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.342 -28.212 -4.928 1.00 0.00 H new ATOM 1035 N HIS A 66 -0.166 -26.526 -9.232 1.00 0.00 N ATOM 1036 CA HIS A 66 0.599 -26.321 -8.007 1.00 0.00 C ATOM 1037 C HIS A 66 1.252 -27.622 -7.550 1.00 0.00 C ATOM 1038 O HIS A 66 2.339 -27.612 -6.971 1.00 0.00 O ATOM 1039 CB HIS A 66 -0.304 -25.774 -6.901 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.722 -24.352 -7.117 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.077 -23.282 -6.533 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.724 -23.827 -7.859 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.667 -22.160 -6.905 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.669 -22.463 -7.711 1.00 0.00 N ATOM 0 HA HIS A 66 1.384 -25.595 -8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.194 -26.399 -6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.218 -25.850 -5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.435 -24.378 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.379 -21.164 -6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.299 -21.793 -8.152 1.00 0.00 H new ATOM 1052 N ILE A 67 0.582 -28.739 -7.815 1.00 0.00 N ATOM 1053 CA ILE A 67 1.098 -30.047 -7.431 1.00 0.00 C ATOM 1054 C ILE A 67 2.454 -30.314 -8.076 1.00 0.00 C ATOM 1055 O ILE A 67 3.359 -30.859 -7.443 1.00 0.00 O ATOM 1056 CB ILE A 67 0.124 -31.173 -7.824 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.312 -30.783 -7.469 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.512 -32.473 -7.135 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.442 -30.129 -6.111 1.00 0.00 C ATOM 0 H ILE A 67 -0.318 -28.764 -8.294 1.00 0.00 H new ATOM 0 HA ILE A 67 1.210 -30.037 -6.347 1.00 0.00 H new ATOM 0 HB ILE A 67 0.183 -31.324 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.694 -30.102 -8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.939 -31.674 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.186 -33.260 -7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.521 -32.756 -7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.479 -32.336 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.487 -29.879 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.091 -30.816 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.842 -29.219 -6.086 1.00 0.00 H new ATOM 1071 N THR A 68 2.589 -29.925 -9.340 1.00 0.00 N ATOM 1072 CA THR A 68 3.834 -30.122 -10.071 1.00 0.00 C ATOM 1073 C THR A 68 4.790 -28.954 -9.853 1.00 0.00 C ATOM 1074 O THR A 68 5.892 -28.932 -10.398 1.00 0.00 O ATOM 1075 CB THR A 68 3.579 -30.286 -11.582 1.00 0.00 C ATOM 1076 OG1 THR A 68 2.945 -29.112 -12.101 1.00 0.00 O ATOM 1077 CG2 THR A 68 2.707 -31.502 -11.854 1.00 0.00 C ATOM 0 H THR A 68 1.851 -29.472 -9.879 1.00 0.00 H new ATOM 0 HA THR A 68 4.286 -31.036 -9.685 1.00 0.00 H new ATOM 0 HB THR A 68 4.539 -30.429 -12.078 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.788 -29.223 -13.062 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.540 -31.598 -12.927 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.205 -32.398 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.749 -31.384 -11.347 1.00 0.00 H new ATOM 1085 N GLY A 69 4.360 -27.985 -9.050 1.00 0.00 N ATOM 1086 CA GLY A 69 5.191 -26.828 -8.773 1.00 0.00 C ATOM 1087 C GLY A 69 5.582 -26.081 -10.033 1.00 0.00 C ATOM 1088 O GLY A 69 6.555 -25.327 -10.038 1.00 0.00 O ATOM 0 H GLY A 69 3.451 -27.981 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.657 -26.153 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.092 -27.148 -8.250 1.00 0.00 H new ATOM 1092 N ASP A 70 4.824 -26.291 -11.103 1.00 0.00 N ATOM 1093 CA ASP A 70 5.097 -25.632 -12.375 1.00 0.00 C ATOM 1094 C ASP A 70 4.127 -24.477 -12.608 1.00 0.00 C ATOM 1095 O ASP A 70 3.905 -24.060 -13.744 1.00 0.00 O ATOM 1096 CB ASP A 70 5.000 -26.635 -13.525 1.00 0.00 C ATOM 1097 CG ASP A 70 5.927 -27.820 -13.339 1.00 0.00 C ATOM 1098 OD1 ASP A 70 6.883 -27.706 -12.544 1.00 0.00 O ATOM 1099 OD2 ASP A 70 5.698 -28.862 -13.990 1.00 0.00 O ATOM 0 H ASP A 70 4.015 -26.913 -11.115 1.00 0.00 H new ATOM 0 HA ASP A 70 6.110 -25.231 -12.338 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.973 -26.990 -13.608 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.240 -26.133 -14.462 1.00 0.00 H new ATOM 1104 N ALA A 71 3.553 -23.966 -11.524 1.00 0.00 N ATOM 1105 CA ALA A 71 2.608 -22.860 -11.610 1.00 0.00 C ATOM 1106 C ALA A 71 2.339 -22.259 -10.234 1.00 0.00 C ATOM 1107 O ALA A 71 2.584 -22.897 -9.210 1.00 0.00 O ATOM 1108 CB ALA A 71 1.307 -23.325 -12.248 1.00 0.00 C ATOM 0 H ALA A 71 3.726 -24.300 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 71 3.050 -22.085 -12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.611 -22.488 -12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.508 -23.700 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.870 -24.120 -11.644 1.00 0.00 H new ATOM 1114 N ILE A 72 1.835 -21.030 -10.219 1.00 0.00 N ATOM 1115 CA ILE A 72 1.533 -20.344 -8.969 1.00 0.00 C ATOM 1116 C ILE A 72 0.369 -19.375 -9.140 1.00 0.00 C ATOM 1117 O ILE A 72 0.008 -19.015 -10.261 1.00 0.00 O ATOM 1118 CB ILE A 72 2.757 -19.571 -8.441 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.216 -18.536 -9.470 1.00 0.00 C ATOM 1120 CG2 ILE A 72 3.887 -20.532 -8.107 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.527 -17.197 -9.330 1.00 0.00 C ATOM 0 H ILE A 72 1.627 -20.489 -11.058 1.00 0.00 H new ATOM 0 HA ILE A 72 1.259 -21.112 -8.246 1.00 0.00 H new ATOM 0 HB ILE A 72 2.472 -19.047 -7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.292 -18.393 -9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.034 -18.926 -10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.744 -19.971 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.554 -21.234 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.174 -21.082 -9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.902 -16.513 -10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.452 -17.326 -9.456 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.730 -16.785 -8.341 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.214 -18.955 -8.023 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.336 -18.024 -8.049 1.00 0.00 C ATOM 1135 C ASP A 73 -1.002 -16.748 -7.282 1.00 0.00 C ATOM 1136 O ASP A 73 -0.396 -16.796 -6.212 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.584 -18.680 -7.454 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.866 -18.047 -7.958 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -4.163 -16.904 -7.550 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.573 -18.694 -8.759 1.00 0.00 O ATOM 0 H ASP A 73 0.072 -19.245 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.533 -17.760 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.585 -19.742 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.548 -18.605 -6.367 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.401 -15.609 -7.837 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.143 -14.320 -7.207 1.00 0.00 C ATOM 1147 C PHE A 74 -2.344 -13.390 -7.357 1.00 0.00 C ATOM 1148 O PHE A 74 -3.319 -13.723 -8.029 1.00 0.00 O ATOM 1149 CB PHE A 74 0.100 -13.669 -7.818 1.00 0.00 C ATOM 1150 CG PHE A 74 -0.163 -12.995 -9.135 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.555 -11.667 -9.182 1.00 0.00 C ATOM 1152 CD2 PHE A 74 -0.018 -13.690 -10.325 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.798 -11.045 -10.392 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.259 -13.073 -11.538 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.649 -11.749 -11.572 1.00 0.00 C ATOM 0 H PHE A 74 -1.905 -15.552 -8.722 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.970 -14.492 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.498 -12.936 -7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.869 -14.430 -7.955 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.672 -11.112 -8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.287 -14.726 -10.304 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.104 -10.010 -10.415 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.142 -13.626 -12.458 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.837 -11.264 -12.519 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.264 -12.224 -6.724 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.343 -11.246 -6.788 1.00 0.00 C ATOM 1167 C ALA A 75 -2.801 -9.849 -7.072 1.00 0.00 C ATOM 1168 O ALA A 75 -1.838 -9.393 -6.454 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.138 -11.251 -5.490 1.00 0.00 C ATOM 0 H ALA A 75 -1.464 -11.934 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.005 -11.525 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.940 -10.516 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.564 -12.241 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.479 -11.000 -4.659 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.431 -9.152 -8.029 1.00 0.00 N ATOM 1176 CA PRO A 76 -3.029 -7.797 -8.417 1.00 0.00 C ATOM 1177 C PRO A 76 -3.333 -6.769 -7.333 1.00 0.00 C ATOM 1178 O PRO A 76 -4.494 -6.525 -7.003 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.869 -7.521 -9.666 1.00 0.00 C ATOM 1180 CG PRO A 76 -5.063 -8.400 -9.521 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.585 -9.634 -8.807 1.00 0.00 C ATOM 0 HA PRO A 76 -1.954 -7.724 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.155 -6.471 -9.726 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.315 -7.753 -10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.849 -7.901 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.483 -8.651 -10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.359 -10.050 -8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.298 -10.418 -9.508 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.283 -6.170 -6.782 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.439 -5.169 -5.732 1.00 0.00 C ATOM 1191 C TYR A 77 -2.534 -3.767 -6.326 1.00 0.00 C ATOM 1192 O TYR A 77 -1.731 -3.386 -7.178 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.267 -5.241 -4.752 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.692 -5.393 -3.309 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.172 -6.605 -2.829 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.613 -4.323 -2.426 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.562 -6.747 -1.512 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.000 -4.457 -1.106 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.475 -5.671 -0.654 1.00 0.00 C ATOM 1200 OH TYR A 77 -2.861 -5.809 0.659 1.00 0.00 O ATOM 0 H TYR A 77 -1.316 -6.360 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.365 -5.381 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.628 -6.081 -5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.665 -4.338 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.241 -7.451 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.243 -3.371 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.933 -7.696 -1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.931 -3.616 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.736 -4.958 1.128 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.522 -3.005 -5.870 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.722 -1.644 -6.353 1.00 0.00 C ATOM 1212 C ILE A 78 -4.327 -0.759 -5.269 1.00 0.00 C ATOM 1213 O ILE A 78 -5.228 -1.176 -4.544 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.636 -1.616 -7.592 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.921 -2.234 -8.795 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -5.068 -0.190 -7.900 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.161 -3.720 -8.944 1.00 0.00 C ATOM 0 H ILE A 78 -4.197 -3.307 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.740 -1.259 -6.627 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.527 -2.207 -7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.251 -1.728 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.850 -2.055 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.713 -0.187 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.613 0.217 -7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.188 0.423 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.624 -4.090 -9.817 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.805 -4.237 -8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.228 -3.906 -9.069 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.825 0.468 -5.167 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.316 1.414 -4.172 1.00 0.00 C ATOM 1231 C ASN A 79 -4.134 0.863 -2.761 1.00 0.00 C ATOM 1232 O ASN A 79 -4.936 1.135 -1.868 1.00 0.00 O ATOM 1233 CB ASN A 79 -5.792 1.729 -4.422 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.984 2.797 -5.481 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.591 2.621 -6.634 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -6.592 3.912 -5.093 1.00 0.00 N ATOM 0 H ASN A 79 -3.079 0.830 -5.761 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.735 2.332 -4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.308 0.819 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.253 2.058 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.750 4.666 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.901 4.014 -4.126 1.00 0.00 H new ATOM 1243 N GLY A 80 -3.073 0.086 -2.566 1.00 0.00 N ATOM 1244 CA GLY A 80 -2.804 -0.490 -1.262 1.00 0.00 C ATOM 1245 C GLY A 80 -3.823 -1.542 -0.872 1.00 0.00 C ATOM 1246 O GLY A 80 -3.956 -1.883 0.303 1.00 0.00 O ATOM 0 H GLY A 80 -2.395 -0.155 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.809 -0.935 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.798 0.302 -0.513 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.546 -2.058 -1.860 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.559 -3.078 -1.616 1.00 0.00 C ATOM 1252 C LYS A 81 -5.679 -4.022 -2.808 1.00 0.00 C ATOM 1253 O LYS A 81 -5.365 -3.652 -3.939 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.913 -2.423 -1.332 1.00 0.00 C ATOM 1255 CG LYS A 81 -6.890 -1.465 -0.154 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.254 -0.837 0.080 1.00 0.00 C ATOM 1257 CE LYS A 81 -8.419 0.449 -0.715 1.00 0.00 C ATOM 1258 NZ LYS A 81 -7.452 1.496 -0.284 1.00 0.00 N ATOM 0 H LYS A 81 -4.449 -1.786 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.253 -3.658 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.240 -1.884 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.651 -3.202 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.575 -1.998 0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.154 -0.682 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.034 -1.544 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.382 -0.628 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.279 0.241 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.436 0.822 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.857 2.437 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.255 1.390 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.567 1.393 -0.821 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.136 -5.242 -2.546 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.300 -6.238 -3.598 1.00 0.00 C ATOM 1274 C ILE A 82 -7.311 -5.775 -4.641 1.00 0.00 C ATOM 1275 O ILE A 82 -8.395 -5.299 -4.302 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.755 -7.593 -3.025 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -5.910 -7.965 -1.805 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.662 -8.676 -4.090 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.677 -7.920 -0.502 1.00 0.00 C ATOM 0 H ILE A 82 -6.399 -5.564 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.325 -6.361 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.795 -7.507 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.506 -8.968 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.060 -7.285 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.987 -9.628 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.302 -8.414 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.630 -8.763 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.015 -8.195 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.058 -6.912 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.511 -8.621 -0.546 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.951 -5.918 -5.912 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.828 -5.517 -7.005 1.00 0.00 C ATOM 1293 C ASP A 83 -8.516 -6.730 -7.623 1.00 0.00 C ATOM 1294 O ASP A 83 -7.993 -7.348 -8.549 1.00 0.00 O ATOM 1295 CB ASP A 83 -7.034 -4.766 -8.076 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.927 -3.985 -9.018 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -9.088 -4.401 -9.217 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.466 -2.958 -9.559 1.00 0.00 O ATOM 0 H ASP A 83 -6.057 -6.309 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.593 -4.855 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.335 -4.083 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.440 -5.478 -8.650 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.691 -7.065 -7.102 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.451 -8.206 -7.602 1.00 0.00 C ATOM 1305 C TRP A 84 -11.651 -7.744 -8.421 1.00 0.00 C ATOM 1306 O TRP A 84 -12.200 -8.505 -9.216 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.918 -9.082 -6.438 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.880 -10.059 -5.976 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.394 -10.199 -4.707 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.199 -11.030 -6.778 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.451 -11.199 -4.673 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.314 -11.725 -5.930 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.251 -11.381 -8.130 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.490 -12.748 -6.392 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.432 -12.396 -8.586 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.562 -13.071 -7.719 1.00 0.00 C ATOM 0 H TRP A 84 -10.138 -6.564 -6.334 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.798 -8.791 -8.249 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.202 -8.442 -5.602 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.812 -9.628 -6.739 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.705 -9.611 -3.856 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.937 -11.500 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.919 -10.868 -8.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.818 -13.268 -5.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.463 -12.674 -9.629 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.936 -13.862 -8.106 1.00 0.00 H new ATOM 1327 N ASN A 85 -12.053 -6.493 -8.220 1.00 0.00 N ATOM 1328 CA ASN A 85 -13.189 -5.931 -8.941 1.00 0.00 C ATOM 1329 C ASN A 85 -12.733 -5.246 -10.226 1.00 0.00 C ATOM 1330 O ASN A 85 -13.333 -5.430 -11.285 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.937 -4.932 -8.055 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.420 -5.556 -6.760 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -13.695 -5.590 -5.766 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -15.651 -6.054 -6.767 1.00 0.00 N ATOM 0 H ASN A 85 -11.609 -5.850 -7.564 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.861 -6.748 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.282 -4.091 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.790 -4.533 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.031 -6.487 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -16.217 -6.004 -7.614 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.669 -4.457 -10.124 1.00 0.00 N ATOM 1342 CA ASP A 86 -11.131 -3.746 -11.278 1.00 0.00 C ATOM 1343 C ASP A 86 -10.128 -4.614 -12.032 1.00 0.00 C ATOM 1344 O ASP A 86 -8.921 -4.523 -11.807 1.00 0.00 O ATOM 1345 CB ASP A 86 -10.466 -2.442 -10.835 1.00 0.00 C ATOM 1346 CG ASP A 86 -11.326 -1.227 -11.122 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -11.521 -0.906 -12.312 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -11.802 -0.596 -10.155 1.00 0.00 O ATOM 0 H ASP A 86 -11.162 -4.294 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.958 -3.513 -11.949 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.255 -2.490 -9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.509 -2.334 -11.345 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.636 -5.455 -12.925 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.785 -6.341 -13.712 1.00 0.00 C ATOM 1355 C LEU A 87 -8.903 -5.542 -14.667 1.00 0.00 C ATOM 1356 O LEU A 87 -7.869 -6.027 -15.124 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.639 -7.335 -14.500 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.640 -8.154 -13.684 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -11.114 -8.390 -12.277 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.991 -7.456 -13.641 1.00 0.00 C ATOM 0 H LEU A 87 -11.633 -5.543 -13.123 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.141 -6.890 -13.025 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.188 -6.786 -15.265 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.973 -8.025 -15.019 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.770 -9.122 -14.168 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.839 -8.974 -11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.170 -8.933 -12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.955 -7.432 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.691 -8.053 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.879 -6.474 -13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.373 -7.340 -14.655 1.00 0.00 H new ATOM 1372 N GLU A 88 -9.320 -4.314 -14.963 1.00 0.00 N ATOM 1373 CA GLU A 88 -8.567 -3.448 -15.862 1.00 0.00 C ATOM 1374 C GLU A 88 -7.098 -3.388 -15.455 1.00 0.00 C ATOM 1375 O GLU A 88 -6.205 -3.517 -16.293 1.00 0.00 O ATOM 1376 CB GLU A 88 -9.165 -2.040 -15.869 1.00 0.00 C ATOM 1377 CG GLU A 88 -10.440 -1.923 -16.687 1.00 0.00 C ATOM 1378 CD GLU A 88 -10.633 -0.537 -17.271 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -9.909 -0.191 -18.228 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -11.507 0.201 -16.772 1.00 0.00 O ATOM 0 H GLU A 88 -10.175 -3.898 -14.593 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.630 -3.866 -16.867 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.373 -1.738 -14.843 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.426 -1.343 -16.263 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.417 -2.654 -17.495 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.295 -2.170 -16.058 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.855 -3.189 -14.164 1.00 0.00 N ATOM 1388 CA ALA A 89 -5.495 -3.113 -13.645 1.00 0.00 C ATOM 1389 C ALA A 89 -4.815 -4.477 -13.685 1.00 0.00 C ATOM 1390 O ALA A 89 -3.606 -4.573 -13.898 1.00 0.00 O ATOM 1391 CB ALA A 89 -5.502 -2.566 -12.225 1.00 0.00 C ATOM 0 H ALA A 89 -7.583 -3.077 -13.458 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.927 -2.434 -14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.480 -2.515 -11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.940 -1.568 -12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.091 -3.223 -11.585 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.598 -5.530 -13.479 1.00 0.00 N ATOM 1398 CA PHE A 90 -5.070 -6.889 -13.490 1.00 0.00 C ATOM 1399 C PHE A 90 -4.385 -7.196 -14.818 1.00 0.00 C ATOM 1400 O PHE A 90 -3.400 -7.934 -14.864 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.194 -7.897 -13.238 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.726 -9.325 -13.222 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.501 -9.660 -12.668 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -6.511 -10.331 -13.762 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.068 -10.973 -12.652 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -6.083 -11.645 -13.749 1.00 0.00 C ATOM 1407 CZ PHE A 90 -4.860 -11.966 -13.194 1.00 0.00 C ATOM 0 H PHE A 90 -6.601 -5.469 -13.302 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.331 -6.972 -12.693 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.669 -7.668 -12.284 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.955 -7.781 -14.010 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.877 -8.887 -12.244 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.468 -10.086 -14.198 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.112 -11.222 -12.216 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.704 -12.420 -14.173 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.523 -12.992 -13.184 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.913 -6.626 -15.895 1.00 0.00 N ATOM 1418 CA TRP A 91 -4.353 -6.838 -17.224 1.00 0.00 C ATOM 1419 C TRP A 91 -3.052 -6.061 -17.398 1.00 0.00 C ATOM 1420 O TRP A 91 -2.192 -6.443 -18.190 1.00 0.00 O ATOM 1421 CB TRP A 91 -5.359 -6.419 -18.297 1.00 0.00 C ATOM 1422 CG TRP A 91 -5.103 -7.052 -19.631 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -5.002 -8.387 -19.899 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -4.915 -6.375 -20.879 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -4.761 -8.581 -21.238 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -4.705 -7.362 -21.861 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -4.906 -5.031 -21.262 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -4.487 -7.046 -23.199 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -4.689 -4.719 -22.591 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -4.482 -5.723 -23.547 1.00 0.00 C ATOM 0 H TRP A 91 -5.728 -6.013 -15.874 1.00 0.00 H new ATOM 0 HA TRP A 91 -4.137 -7.901 -17.334 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.364 -6.681 -17.965 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.332 -5.335 -18.406 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.097 -9.175 -19.166 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.643 -9.486 -21.694 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.066 -4.250 -20.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.327 -7.818 -23.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -4.679 -3.684 -22.898 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -4.315 -5.447 -24.578 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.917 -4.969 -16.652 1.00 0.00 N ATOM 1442 CA ALA A 92 -1.720 -4.140 -16.723 1.00 0.00 C ATOM 1443 C ALA A 92 -0.538 -4.822 -16.042 1.00 0.00 C ATOM 1444 O ALA A 92 0.562 -4.876 -16.592 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.982 -2.780 -16.093 1.00 0.00 C ATOM 0 H ALA A 92 -3.621 -4.638 -15.992 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.468 -3.999 -17.774 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.080 -2.171 -16.153 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.792 -2.282 -16.626 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.262 -2.911 -15.048 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.773 -5.341 -14.841 1.00 0.00 N ATOM 1452 CA VAL A 93 0.272 -6.020 -14.084 1.00 0.00 C ATOM 1453 C VAL A 93 0.562 -7.401 -14.663 1.00 0.00 C ATOM 1454 O VAL A 93 1.674 -7.916 -14.544 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.116 -6.169 -12.601 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -1.474 -6.841 -12.469 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.951 -6.951 -11.848 1.00 0.00 C ATOM 0 H VAL A 93 -1.678 -5.304 -14.371 1.00 0.00 H new ATOM 0 HA VAL A 93 1.167 -5.403 -14.158 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.185 -5.175 -12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.731 -6.938 -11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.229 -6.238 -12.973 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.436 -7.830 -12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.661 -7.047 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.054 -7.943 -12.289 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.903 -6.424 -11.914 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.446 -7.995 -15.292 1.00 0.00 N ATOM 1468 CA LYS A 94 -0.301 -9.316 -15.893 1.00 0.00 C ATOM 1469 C LYS A 94 0.728 -9.292 -17.018 1.00 0.00 C ATOM 1470 O LYS A 94 1.573 -10.182 -17.120 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.648 -9.805 -16.430 1.00 0.00 C ATOM 1472 CG LYS A 94 -1.583 -11.179 -17.074 1.00 0.00 C ATOM 1473 CD LYS A 94 -1.975 -12.273 -16.095 1.00 0.00 C ATOM 1474 CE LYS A 94 -3.470 -12.550 -16.136 1.00 0.00 C ATOM 1475 NZ LYS A 94 -3.876 -13.213 -17.406 1.00 0.00 N ATOM 0 H LYS A 94 -1.373 -7.583 -15.399 1.00 0.00 H new ATOM 0 HA LYS A 94 0.047 -10.003 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.368 -9.830 -15.612 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.020 -9.087 -17.161 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.246 -11.208 -17.938 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.573 -11.362 -17.441 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.428 -13.186 -16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.686 -11.980 -15.086 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.746 -13.182 -15.292 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.016 -11.613 -16.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.794 -13.684 -17.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.958 -12.500 -18.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.160 -13.918 -17.674 1.00 0.00 H new ATOM 1489 N LYS A 95 0.653 -8.267 -17.860 1.00 0.00 N ATOM 1490 CA LYS A 95 1.580 -8.124 -18.977 1.00 0.00 C ATOM 1491 C LYS A 95 3.026 -8.183 -18.495 1.00 0.00 C ATOM 1492 O LYS A 95 3.921 -8.591 -19.235 1.00 0.00 O ATOM 1493 CB LYS A 95 1.329 -6.805 -19.710 1.00 0.00 C ATOM 1494 CG LYS A 95 2.236 -6.593 -20.909 1.00 0.00 C ATOM 1495 CD LYS A 95 2.088 -5.192 -21.479 1.00 0.00 C ATOM 1496 CE LYS A 95 0.936 -5.112 -22.469 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.459 -3.713 -22.653 1.00 0.00 N ATOM 0 H LYS A 95 -0.041 -7.522 -17.790 1.00 0.00 H new ATOM 0 HA LYS A 95 1.411 -8.952 -19.665 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.291 -6.775 -20.041 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.465 -5.979 -19.012 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.273 -6.760 -20.616 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.000 -7.327 -21.679 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.922 -4.484 -20.667 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.015 -4.899 -21.973 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.254 -5.517 -23.430 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.112 -5.734 -22.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.326 -3.701 -23.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.132 -3.335 -21.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.238 -3.125 -23.012 1.00 0.00 H new ATOM 1511 N ALA A 96 3.247 -7.775 -17.250 1.00 0.00 N ATOM 1512 CA ALA A 96 4.583 -7.785 -16.668 1.00 0.00 C ATOM 1513 C ALA A 96 5.060 -9.211 -16.412 1.00 0.00 C ATOM 1514 O ALA A 96 6.254 -9.500 -16.489 1.00 0.00 O ATOM 1515 CB ALA A 96 4.603 -6.980 -15.377 1.00 0.00 C ATOM 0 H ALA A 96 2.517 -7.433 -16.625 1.00 0.00 H new ATOM 0 HA ALA A 96 5.266 -7.324 -17.381 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.607 -6.996 -14.954 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.314 -5.950 -15.586 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.902 -7.416 -14.665 1.00 0.00 H new ATOM 1521 N PHE A 97 4.119 -10.098 -16.107 1.00 0.00 N ATOM 1522 CA PHE A 97 4.444 -11.494 -15.838 1.00 0.00 C ATOM 1523 C PHE A 97 4.900 -12.202 -17.110 1.00 0.00 C ATOM 1524 O PHE A 97 5.909 -12.906 -17.113 1.00 0.00 O ATOM 1525 CB PHE A 97 3.232 -12.217 -15.245 1.00 0.00 C ATOM 1526 CG PHE A 97 3.303 -12.383 -13.754 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.055 -11.312 -12.912 1.00 0.00 C ATOM 1528 CD2 PHE A 97 3.618 -13.611 -13.195 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.119 -11.461 -11.539 1.00 0.00 C ATOM 1530 CE2 PHE A 97 3.684 -13.767 -11.824 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.435 -12.691 -10.995 1.00 0.00 C ATOM 0 H PHE A 97 3.126 -9.875 -16.040 1.00 0.00 H new ATOM 0 HA PHE A 97 5.261 -11.518 -15.117 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.329 -11.662 -15.498 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.143 -13.200 -15.708 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.809 -10.348 -13.333 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.814 -14.456 -13.838 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.922 -10.618 -10.893 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.930 -14.730 -11.401 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.487 -12.811 -9.923 1.00 0.00 H new ATOM 1541 N GLU A 98 4.147 -12.010 -18.189 1.00 0.00 N ATOM 1542 CA GLU A 98 4.474 -12.631 -19.468 1.00 0.00 C ATOM 1543 C GLU A 98 5.674 -11.945 -20.115 1.00 0.00 C ATOM 1544 O GLU A 98 6.454 -12.579 -20.825 1.00 0.00 O ATOM 1545 CB GLU A 98 3.270 -12.572 -20.410 1.00 0.00 C ATOM 1546 CG GLU A 98 2.665 -11.184 -20.540 1.00 0.00 C ATOM 1547 CD GLU A 98 1.970 -10.972 -21.871 1.00 0.00 C ATOM 1548 OE1 GLU A 98 1.124 -11.814 -22.238 1.00 0.00 O ATOM 1549 OE2 GLU A 98 2.272 -9.966 -22.545 1.00 0.00 O ATOM 0 H GLU A 98 3.308 -11.430 -18.203 1.00 0.00 H new ATOM 0 HA GLU A 98 4.731 -13.674 -19.282 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.574 -12.920 -21.397 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.505 -13.260 -20.051 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.950 -11.026 -19.732 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.450 -10.437 -20.421 1.00 0.00 H new ATOM 1556 N GLN A 99 5.813 -10.648 -19.864 1.00 0.00 N ATOM 1557 CA GLN A 99 6.917 -9.876 -20.423 1.00 0.00 C ATOM 1558 C GLN A 99 8.217 -10.172 -19.683 1.00 0.00 C ATOM 1559 O GLN A 99 9.258 -10.395 -20.301 1.00 0.00 O ATOM 1560 CB GLN A 99 6.607 -8.380 -20.355 1.00 0.00 C ATOM 1561 CG GLN A 99 5.657 -7.906 -21.443 1.00 0.00 C ATOM 1562 CD GLN A 99 6.264 -7.999 -22.829 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.453 -7.740 -23.018 1.00 0.00 O ATOM 1564 NE2 GLN A 99 5.448 -8.372 -23.809 1.00 0.00 N ATOM 0 H GLN A 99 5.176 -10.109 -19.278 1.00 0.00 H new ATOM 0 HA GLN A 99 7.039 -10.167 -21.466 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.174 -8.151 -19.381 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.539 -7.820 -20.429 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.745 -8.502 -21.409 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.370 -6.873 -21.245 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.469 -8.577 -23.608 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.800 -8.453 -24.763 1.00 0.00 H new ATOM 1573 N ALA A 100 8.151 -10.171 -18.356 1.00 0.00 N ATOM 1574 CA ALA A 100 9.322 -10.440 -17.532 1.00 0.00 C ATOM 1575 C ALA A 100 9.972 -11.765 -17.917 1.00 0.00 C ATOM 1576 O ALA A 100 11.183 -11.935 -17.787 1.00 0.00 O ATOM 1577 CB ALA A 100 8.942 -10.446 -16.058 1.00 0.00 C ATOM 0 H ALA A 100 7.298 -9.987 -17.828 1.00 0.00 H new ATOM 0 HA ALA A 100 10.047 -9.645 -17.706 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.827 -10.648 -15.455 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.531 -9.474 -15.784 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.196 -11.220 -15.878 1.00 0.00 H new ATOM 1583 N GLY A 101 9.157 -12.702 -18.392 1.00 0.00 N ATOM 1584 CA GLY A 101 9.670 -14.000 -18.789 1.00 0.00 C ATOM 1585 C GLY A 101 10.559 -13.923 -20.014 1.00 0.00 C ATOM 1586 O GLY A 101 11.355 -14.826 -20.271 1.00 0.00 O ATOM 0 H GLY A 101 8.150 -12.585 -18.509 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.233 -14.433 -17.962 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.835 -14.671 -18.992 1.00 0.00 H new ATOM 1590 N LYS A 102 10.424 -12.841 -20.774 1.00 0.00 N ATOM 1591 CA LYS A 102 11.220 -12.648 -21.979 1.00 0.00 C ATOM 1592 C LYS A 102 12.610 -12.123 -21.635 1.00 0.00 C ATOM 1593 O LYS A 102 13.593 -12.463 -22.294 1.00 0.00 O ATOM 1594 CB LYS A 102 10.518 -11.676 -22.930 1.00 0.00 C ATOM 1595 CG LYS A 102 10.983 -10.238 -22.782 1.00 0.00 C ATOM 1596 CD LYS A 102 10.074 -9.278 -23.530 1.00 0.00 C ATOM 1597 CE LYS A 102 10.143 -9.502 -25.033 1.00 0.00 C ATOM 1598 NZ LYS A 102 11.543 -9.454 -25.538 1.00 0.00 N ATOM 0 H LYS A 102 9.770 -12.084 -20.576 1.00 0.00 H new ATOM 0 HA LYS A 102 11.327 -13.615 -22.471 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.687 -12.000 -23.957 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.443 -11.721 -22.754 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.007 -9.969 -21.726 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.002 -10.144 -23.158 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.047 -9.407 -23.189 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.360 -8.251 -23.301 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.702 -10.469 -25.277 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.548 -8.743 -25.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.536 -9.321 -26.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.046 -8.662 -25.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.026 -10.346 -25.307 1.00 0.00 H new ATOM 1612 N GLU A 103 12.685 -11.295 -20.597 1.00 0.00 N ATOM 1613 CA GLU A 103 13.956 -10.725 -20.166 1.00 0.00 C ATOM 1614 C GLU A 103 14.719 -11.705 -19.280 1.00 0.00 C ATOM 1615 O GLU A 103 15.949 -11.772 -19.324 1.00 0.00 O ATOM 1616 CB GLU A 103 13.722 -9.414 -19.411 1.00 0.00 C ATOM 1617 CG GLU A 103 12.757 -9.548 -18.245 1.00 0.00 C ATOM 1618 CD GLU A 103 12.635 -8.268 -17.440 1.00 0.00 C ATOM 1619 OE1 GLU A 103 11.938 -7.341 -17.904 1.00 0.00 O ATOM 1620 OE2 GLU A 103 13.235 -8.194 -16.348 1.00 0.00 O ATOM 0 H GLU A 103 11.881 -11.005 -20.040 1.00 0.00 H new ATOM 0 HA GLU A 103 14.555 -10.523 -21.054 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.677 -9.042 -19.040 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.338 -8.668 -20.106 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.774 -9.831 -18.622 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.092 -10.354 -17.592 1.00 0.00 H new ATOM 1627 N LEU A 104 13.983 -12.464 -18.477 1.00 0.00 N ATOM 1628 CA LEU A 104 14.589 -13.442 -17.580 1.00 0.00 C ATOM 1629 C LEU A 104 14.722 -14.799 -18.263 1.00 0.00 C ATOM 1630 O LEU A 104 15.506 -15.646 -17.837 1.00 0.00 O ATOM 1631 CB LEU A 104 13.756 -13.579 -16.305 1.00 0.00 C ATOM 1632 CG LEU A 104 13.572 -12.304 -15.482 1.00 0.00 C ATOM 1633 CD1 LEU A 104 12.127 -12.162 -15.032 1.00 0.00 C ATOM 1634 CD2 LEU A 104 14.508 -12.304 -14.282 1.00 0.00 C ATOM 0 H LEU A 104 12.965 -12.421 -18.428 1.00 0.00 H new ATOM 0 HA LEU A 104 15.586 -13.089 -17.318 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.771 -13.956 -16.578 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.222 -14.333 -15.670 1.00 0.00 H new ATOM 0 HG LEU A 104 13.820 -11.450 -16.112 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.016 -11.249 -14.448 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.477 -12.115 -15.906 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.851 -13.020 -14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.363 -11.389 -13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.291 -13.166 -13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.541 -12.357 -14.626 1.00 0.00 H new ATOM 1646 N GLY A 105 13.951 -14.998 -19.328 1.00 0.00 N ATOM 1647 CA GLY A 105 13.999 -16.253 -20.055 1.00 0.00 C ATOM 1648 C GLY A 105 13.070 -17.298 -19.470 1.00 0.00 C ATOM 1649 O GLY A 105 12.831 -18.339 -20.083 1.00 0.00 O ATOM 0 H GLY A 105 13.294 -14.312 -19.700 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.732 -16.076 -21.097 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.020 -16.634 -20.048 1.00 0.00 H new ATOM 1653 N ILE A 106 12.545 -17.021 -18.280 1.00 0.00 N ATOM 1654 CA ILE A 106 11.637 -17.946 -17.613 1.00 0.00 C ATOM 1655 C ILE A 106 10.348 -18.121 -18.408 1.00 0.00 C ATOM 1656 O ILE A 106 9.793 -17.156 -18.934 1.00 0.00 O ATOM 1657 CB ILE A 106 11.289 -17.465 -16.192 1.00 0.00 C ATOM 1658 CG1 ILE A 106 12.411 -17.829 -15.217 1.00 0.00 C ATOM 1659 CG2 ILE A 106 9.969 -18.069 -15.737 1.00 0.00 C ATOM 1660 CD1 ILE A 106 13.583 -16.873 -15.260 1.00 0.00 C ATOM 0 H ILE A 106 12.733 -16.164 -17.759 1.00 0.00 H new ATOM 0 HA ILE A 106 12.153 -18.904 -17.548 1.00 0.00 H new ATOM 0 HB ILE A 106 11.184 -16.380 -16.207 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.008 -17.852 -14.204 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.765 -18.835 -15.442 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.737 -17.720 -14.731 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.175 -17.765 -16.419 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.048 -19.156 -15.734 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.340 -17.193 -14.544 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.012 -16.868 -16.262 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.243 -15.869 -15.005 1.00 0.00 H new ATOM 1672 N LYS A 107 9.875 -19.360 -18.492 1.00 0.00 N ATOM 1673 CA LYS A 107 8.649 -19.663 -19.220 1.00 0.00 C ATOM 1674 C LYS A 107 7.436 -19.059 -18.520 1.00 0.00 C ATOM 1675 O LYS A 107 7.200 -19.310 -17.337 1.00 0.00 O ATOM 1676 CB LYS A 107 8.472 -21.177 -19.354 1.00 0.00 C ATOM 1677 CG LYS A 107 8.904 -21.723 -20.704 1.00 0.00 C ATOM 1678 CD LYS A 107 10.333 -22.239 -20.665 1.00 0.00 C ATOM 1679 CE LYS A 107 11.339 -21.108 -20.817 1.00 0.00 C ATOM 1680 NZ LYS A 107 12.662 -21.602 -21.287 1.00 0.00 N ATOM 0 H LYS A 107 10.323 -20.171 -18.065 1.00 0.00 H new ATOM 0 HA LYS A 107 8.729 -19.223 -20.214 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.046 -21.672 -18.571 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.424 -21.428 -19.188 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.233 -22.528 -21.003 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.819 -20.941 -21.458 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.508 -22.758 -19.723 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.480 -22.967 -21.463 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.954 -20.372 -21.523 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.460 -20.599 -19.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.319 -20.801 -21.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.041 -22.285 -20.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.551 -22.065 -22.211 1.00 0.00 H new ATOM 1694 N LEU A 108 6.668 -18.264 -19.256 1.00 0.00 N ATOM 1695 CA LEU A 108 5.478 -17.625 -18.706 1.00 0.00 C ATOM 1696 C LEU A 108 4.539 -17.171 -19.819 1.00 0.00 C ATOM 1697 O LEU A 108 4.913 -16.364 -20.669 1.00 0.00 O ATOM 1698 CB LEU A 108 5.872 -16.429 -17.837 1.00 0.00 C ATOM 1699 CG LEU A 108 4.975 -16.152 -16.630 1.00 0.00 C ATOM 1700 CD1 LEU A 108 3.510 -16.296 -17.010 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.325 -17.085 -15.480 1.00 0.00 C ATOM 0 H LEU A 108 6.848 -18.046 -20.236 1.00 0.00 H new ATOM 0 HA LEU A 108 4.955 -18.357 -18.091 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.890 -16.585 -17.480 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.887 -15.538 -18.465 1.00 0.00 H new ATOM 0 HG LEU A 108 5.145 -15.126 -16.303 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.887 -16.095 -16.139 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.268 -15.586 -17.801 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.324 -17.310 -17.363 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.677 -16.874 -14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.185 -18.119 -15.795 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.365 -16.932 -15.191 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.927 -17.814 -13.122 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.936 -18.827 -12.778 1.00 0.00 C ATOM 2064 C HIS A 133 -1.800 -18.843 -13.795 1.00 0.00 C ATOM 2065 O HIS A 133 -2.027 -19.022 -14.992 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.591 -20.207 -12.706 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.719 -21.251 -12.079 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.870 -20.989 -11.025 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.570 -22.567 -12.362 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -1.235 -22.097 -10.688 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.642 -23.069 -11.484 1.00 0.00 N ATOM 0 HA HIS A 133 -2.522 -18.578 -11.801 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.518 -20.131 -12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.859 -20.526 -13.713 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.751 -20.081 -10.576 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.085 -23.119 -13.134 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.507 -22.192 -9.896 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.576 -18.654 -13.312 1.00 0.00 N ATOM 2080 CA VAL A 134 0.596 -18.646 -14.179 1.00 0.00 C ATOM 2081 C VAL A 134 1.391 -19.940 -14.040 1.00 0.00 C ATOM 2082 O VAL A 134 1.650 -20.403 -12.930 1.00 0.00 O ATOM 2083 CB VAL A 134 1.519 -17.453 -13.866 1.00 0.00 C ATOM 2084 CG1 VAL A 134 0.749 -16.144 -13.958 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.149 -17.615 -12.491 1.00 0.00 C ATOM 0 H VAL A 134 -0.370 -18.504 -12.324 1.00 0.00 H new ATOM 0 HA VAL A 134 0.232 -18.554 -15.202 1.00 0.00 H new ATOM 0 HB VAL A 134 2.318 -17.429 -14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 134 1.417 -15.312 -13.734 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.349 -16.027 -14.965 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -0.072 -16.154 -13.241 1.00 0.00 H new ATOM 0 HG21 VAL A 134 2.798 -16.764 -12.286 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.365 -17.664 -11.735 1.00 0.00 H new ATOM 0 HG23 VAL A 134 2.736 -18.533 -12.466 1.00 0.00 H new ATOM 2095 N GLU A 135 1.776 -20.516 -15.174 1.00 0.00 N ATOM 2096 CA GLU A 135 2.541 -21.757 -15.178 1.00 0.00 C ATOM 2097 C GLU A 135 3.642 -21.714 -16.234 1.00 0.00 C ATOM 2098 O GLU A 135 3.665 -20.827 -17.087 1.00 0.00 O ATOM 2099 CB GLU A 135 1.619 -22.951 -15.435 1.00 0.00 C ATOM 2100 CG GLU A 135 1.092 -23.017 -16.859 1.00 0.00 C ATOM 2101 CD GLU A 135 -0.083 -23.964 -17.002 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -0.823 -24.147 -16.013 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -0.263 -24.522 -18.105 1.00 0.00 O ATOM 0 H GLU A 135 1.571 -20.143 -16.101 1.00 0.00 H new ATOM 0 HA GLU A 135 3.005 -21.870 -14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.160 -23.871 -15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.776 -22.903 -14.746 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.791 -22.019 -17.178 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.894 -23.336 -17.525 1.00 0.00 H new ATOM 2110 N LEU A 136 4.554 -22.679 -16.169 1.00 0.00 N ATOM 2111 CA LEU A 136 5.659 -22.752 -17.118 1.00 0.00 C ATOM 2112 C LEU A 136 5.172 -23.224 -18.485 1.00 0.00 C ATOM 2113 O LEU A 136 4.816 -24.389 -18.660 1.00 0.00 O ATOM 2114 CB LEU A 136 6.744 -23.695 -16.596 1.00 0.00 C ATOM 2115 CG LEU A 136 7.593 -23.167 -15.440 1.00 0.00 C ATOM 2116 CD1 LEU A 136 8.156 -21.794 -15.774 1.00 0.00 C ATOM 2117 CD2 LEU A 136 6.774 -23.113 -14.158 1.00 0.00 C ATOM 0 H LEU A 136 4.549 -23.421 -15.469 1.00 0.00 H new ATOM 0 HA LEU A 136 6.078 -21.752 -17.228 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.268 -24.622 -16.277 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.408 -23.946 -17.423 1.00 0.00 H new ATOM 0 HG LEU A 136 8.428 -23.851 -15.286 1.00 0.00 H new ATOM 0 HD11 LEU A 136 8.758 -21.434 -14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 136 8.778 -21.863 -16.666 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.336 -21.099 -15.956 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.394 -22.735 -13.346 1.00 0.00 H new ATOM 0 HD22 LEU A 136 5.919 -22.452 -14.300 1.00 0.00 H new ATOM 0 HD23 LEU A 136 6.421 -24.114 -13.909 1.00 0.00 H new ATOM 2129 N VAL A 137 5.162 -22.311 -19.451 1.00 0.00 N ATOM 2130 CA VAL A 137 4.723 -22.635 -20.803 1.00 0.00 C ATOM 2131 C VAL A 137 5.897 -23.072 -21.673 1.00 0.00 C ATOM 2132 O VAL A 137 5.871 -24.178 -22.209 1.00 0.00 O ATOM 2133 CB VAL A 137 4.025 -21.434 -21.469 1.00 0.00 C ATOM 2134 CG1 VAL A 137 2.759 -21.065 -20.710 1.00 0.00 C ATOM 2135 CG2 VAL A 137 4.972 -20.247 -21.553 1.00 0.00 C ATOM 0 H VAL A 137 5.453 -21.342 -19.323 1.00 0.00 H new ATOM 0 HA VAL A 137 4.013 -23.457 -20.716 1.00 0.00 H new ATOM 0 HB VAL A 137 3.743 -21.716 -22.483 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.279 -20.215 -21.195 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.076 -21.914 -20.707 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.014 -20.801 -19.684 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.462 -19.408 -22.026 1.00 0.00 H new ATOM 0 HG22 VAL A 137 5.287 -19.961 -20.549 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.846 -20.520 -22.144 1.00 0.00 H new