USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 998 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 82 CYS SG : rot -130:sc= -0.348 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -2.54 F(o=-5.7!,f=-2.9) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.982 K(o=1.4,f=0.47) USER MOD Set 2.2: A 56 THR OG1 : rot 150:sc= 0.42 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.293 X(o=-9.7,f=-9.5) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.0424 USER MOD Set 3.3: A 97 GLN : amide:sc= -9.4! C(o=-9.7!,f=-9.6!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -6.63! C(o=-15!,f=-16!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -7.92! C(o=-15!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00448 X(o=-0.0045,f=-0.31) USER MOD Single : A 7 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.34) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc=-0.000823 X(o=-0.00082,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.42) USER MOD Single : A 11 THR OG1 : rot 36:sc= 0.155 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.211 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0602) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 43 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 52 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.028) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 67:sc= 0.715 USER MOD Single : A 61 GLN : amide:sc= -5.94! C(o=-5.9!,f=-6!) USER MOD Single : A 67 TYR OH : rot -136:sc= 1.08 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -110:sc= -0.0744 (180deg=-1.21) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.046) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 89 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 107 CYS SG : rot 3:sc= -0.408 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.21! F(o=-4.5,f=-2.2!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.817 -7.849 -24.254 1.00 0.00 N ATOM 2 CA MET A 1 25.828 -8.121 -25.330 1.00 0.00 C ATOM 3 C MET A 1 26.447 -7.927 -26.710 1.00 0.00 C ATOM 4 O MET A 1 26.184 -6.932 -27.387 1.00 0.00 O ATOM 5 CB MET A 1 24.638 -7.177 -25.147 1.00 0.00 C ATOM 6 CG MET A 1 23.346 -7.702 -25.753 1.00 0.00 C ATOM 7 SD MET A 1 22.194 -6.383 -26.183 1.00 0.00 S ATOM 8 CE MET A 1 20.972 -6.566 -24.888 1.00 0.00 C ATOM 0 H1 MET A 1 26.368 -7.989 -23.326 1.00 0.00 H new ATOM 0 H2 MET A 1 27.623 -8.500 -24.350 1.00 0.00 H new ATOM 0 H3 MET A 1 27.153 -6.868 -24.331 1.00 0.00 H new ATOM 0 HA MET A 1 25.500 -9.158 -25.261 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.485 -7.001 -24.082 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.876 -6.214 -25.598 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.578 -8.282 -26.646 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.868 -8.381 -25.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.190 -5.818 -25.017 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.533 -7.562 -24.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.448 -6.430 -23.917 1.00 0.00 H new ATOM 20 N ARG A 2 27.269 -8.886 -27.123 1.00 0.00 N ATOM 21 CA ARG A 2 27.927 -8.822 -28.424 1.00 0.00 C ATOM 22 C ARG A 2 27.632 -10.072 -29.246 1.00 0.00 C ATOM 23 O ARG A 2 28.444 -10.490 -30.072 1.00 0.00 O ATOM 24 CB ARG A 2 29.438 -8.660 -28.247 1.00 0.00 C ATOM 25 CG ARG A 2 30.057 -9.704 -27.331 1.00 0.00 C ATOM 26 CD ARG A 2 31.576 -9.661 -27.385 1.00 0.00 C ATOM 27 NE ARG A 2 32.101 -8.360 -26.983 1.00 0.00 N ATOM 28 CZ ARG A 2 33.399 -8.093 -26.850 1.00 0.00 C ATOM 29 NH1 ARG A 2 34.304 -9.034 -27.089 1.00 0.00 N ATOM 30 NH2 ARG A 2 33.791 -6.883 -26.477 1.00 0.00 N ATOM 0 H ARG A 2 27.496 -9.717 -26.576 1.00 0.00 H new ATOM 0 HA ARG A 2 27.535 -7.957 -28.959 1.00 0.00 H new ATOM 0 HB2 ARG A 2 29.918 -8.715 -29.224 1.00 0.00 H new ATOM 0 HB3 ARG A 2 29.644 -7.668 -27.846 1.00 0.00 H new ATOM 0 HG2 ARG A 2 29.723 -9.535 -26.307 1.00 0.00 H new ATOM 0 HG3 ARG A 2 29.709 -10.696 -27.620 1.00 0.00 H new ATOM 0 HD2 ARG A 2 31.984 -10.434 -26.733 1.00 0.00 H new ATOM 0 HD3 ARG A 2 31.909 -9.889 -28.397 1.00 0.00 H new ATOM 0 HE ARG A 2 31.435 -7.611 -26.793 1.00 0.00 H new ATOM 0 HH11 ARG A 2 34.007 -9.967 -27.376 1.00 0.00 H new ATOM 0 HH12 ARG A 2 35.297 -8.825 -26.986 1.00 0.00 H new ATOM 0 HH21 ARG A 2 33.099 -6.157 -26.292 1.00 0.00 H new ATOM 0 HH22 ARG A 2 34.785 -6.678 -26.375 1.00 0.00 H new ATOM 44 N GLY A 3 26.464 -10.666 -29.015 1.00 0.00 N ATOM 45 CA GLY A 3 26.085 -11.862 -29.743 1.00 0.00 C ATOM 46 C GLY A 3 24.591 -12.120 -29.697 1.00 0.00 C ATOM 47 O GLY A 3 24.150 -13.266 -29.798 1.00 0.00 O ATOM 0 H GLY A 3 25.775 -10.340 -28.337 1.00 0.00 H new ATOM 0 HA2 GLY A 3 26.402 -11.767 -30.781 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.612 -12.720 -29.325 1.00 0.00 H new ATOM 51 N SER A 4 23.812 -11.054 -29.545 1.00 0.00 N ATOM 52 CA SER A 4 22.359 -11.172 -29.486 1.00 0.00 C ATOM 53 C SER A 4 21.933 -12.078 -28.334 1.00 0.00 C ATOM 54 O SER A 4 21.574 -13.236 -28.542 1.00 0.00 O ATOM 55 CB SER A 4 21.818 -11.719 -30.809 1.00 0.00 C ATOM 56 OG SER A 4 21.905 -10.746 -31.836 1.00 0.00 O ATOM 0 H SER A 4 24.162 -10.100 -29.460 1.00 0.00 H new ATOM 0 HA SER A 4 21.944 -10.179 -29.315 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.381 -12.607 -31.096 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.780 -12.027 -30.682 1.00 0.00 H new ATOM 0 HG SER A 4 21.555 -11.120 -32.671 1.00 0.00 H new ATOM 62 N HIS A 5 21.977 -11.538 -27.119 1.00 0.00 N ATOM 63 CA HIS A 5 21.598 -12.291 -25.927 1.00 0.00 C ATOM 64 C HIS A 5 22.533 -13.479 -25.710 1.00 0.00 C ATOM 65 O HIS A 5 23.444 -13.419 -24.885 1.00 0.00 O ATOM 66 CB HIS A 5 20.149 -12.775 -26.038 1.00 0.00 C ATOM 67 CG HIS A 5 19.144 -11.664 -26.011 1.00 0.00 C ATOM 68 ND1 HIS A 5 18.007 -11.660 -26.791 1.00 0.00 N ATOM 69 CD2 HIS A 5 19.109 -10.518 -25.292 1.00 0.00 C ATOM 70 CE1 HIS A 5 17.317 -10.557 -26.554 1.00 0.00 C ATOM 71 NE2 HIS A 5 17.965 -9.849 -25.648 1.00 0.00 N ATOM 0 H HIS A 5 22.272 -10.579 -26.934 1.00 0.00 H new ATOM 0 HA HIS A 5 21.683 -11.626 -25.068 1.00 0.00 H new ATOM 0 HB2 HIS A 5 20.032 -13.338 -26.964 1.00 0.00 H new ATOM 0 HB3 HIS A 5 19.940 -13.463 -25.219 1.00 0.00 H new ATOM 0 HD2 HIS A 5 19.845 -10.191 -24.572 1.00 0.00 H new ATOM 0 HE1 HIS A 5 16.383 -10.283 -27.022 1.00 0.00 H new ATOM 0 HE2 HIS A 5 17.664 -8.950 -25.273 1.00 0.00 H new ATOM 80 N HIS A 6 22.304 -14.556 -26.456 1.00 0.00 N ATOM 81 CA HIS A 6 23.129 -15.753 -26.343 1.00 0.00 C ATOM 82 C HIS A 6 23.075 -16.572 -27.629 1.00 0.00 C ATOM 83 O HIS A 6 21.998 -16.851 -28.154 1.00 0.00 O ATOM 84 CB HIS A 6 22.669 -16.606 -25.159 1.00 0.00 C ATOM 85 CG HIS A 6 23.500 -16.419 -23.927 1.00 0.00 C ATOM 86 ND1 HIS A 6 23.150 -15.561 -22.904 1.00 0.00 N ATOM 87 CD2 HIS A 6 24.672 -16.985 -23.554 1.00 0.00 C ATOM 88 CE1 HIS A 6 24.071 -15.608 -21.958 1.00 0.00 C ATOM 89 NE2 HIS A 6 25.005 -16.466 -22.328 1.00 0.00 N ATOM 0 H HIS A 6 21.554 -14.624 -27.144 1.00 0.00 H new ATOM 0 HA HIS A 6 24.160 -15.440 -26.175 1.00 0.00 H new ATOM 0 HB2 HIS A 6 21.632 -16.363 -24.928 1.00 0.00 H new ATOM 0 HB3 HIS A 6 22.693 -17.657 -25.448 1.00 0.00 H new ATOM 0 HD2 HIS A 6 25.240 -17.711 -24.117 1.00 0.00 H new ATOM 0 HE1 HIS A 6 24.062 -15.041 -21.039 1.00 0.00 H new ATOM 0 HE2 HIS A 6 25.838 -16.704 -21.790 1.00 0.00 H new ATOM 98 N HIS A 7 24.246 -16.954 -28.130 1.00 0.00 N ATOM 99 CA HIS A 7 24.333 -17.741 -29.355 1.00 0.00 C ATOM 100 C HIS A 7 25.497 -18.724 -29.288 1.00 0.00 C ATOM 101 O HIS A 7 26.653 -18.347 -29.481 1.00 0.00 O ATOM 102 CB HIS A 7 24.496 -16.821 -30.566 1.00 0.00 C ATOM 103 CG HIS A 7 23.198 -16.451 -31.215 1.00 0.00 C ATOM 104 ND1 HIS A 7 22.179 -17.354 -31.431 1.00 0.00 N ATOM 105 CD2 HIS A 7 22.756 -15.264 -31.696 1.00 0.00 C ATOM 106 CE1 HIS A 7 21.166 -16.740 -32.018 1.00 0.00 C ATOM 107 NE2 HIS A 7 21.491 -15.472 -32.189 1.00 0.00 N ATOM 0 H HIS A 7 25.147 -16.731 -27.707 1.00 0.00 H new ATOM 0 HA HIS A 7 23.408 -18.308 -29.460 1.00 0.00 H new ATOM 0 HB2 HIS A 7 25.010 -15.911 -30.255 1.00 0.00 H new ATOM 0 HB3 HIS A 7 25.134 -17.311 -31.301 1.00 0.00 H new ATOM 0 HD2 HIS A 7 23.297 -14.329 -31.692 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.232 -17.198 -32.308 1.00 0.00 H new ATOM 0 HE2 HIS A 7 20.898 -14.761 -32.618 1.00 0.00 H new ATOM 116 N HIS A 8 25.185 -19.986 -29.010 1.00 0.00 N ATOM 117 CA HIS A 8 26.208 -21.022 -28.917 1.00 0.00 C ATOM 118 C HIS A 8 25.694 -22.347 -29.473 1.00 0.00 C ATOM 119 O HIS A 8 26.139 -22.803 -30.527 1.00 0.00 O ATOM 120 CB HIS A 8 26.649 -21.203 -27.464 1.00 0.00 C ATOM 121 CG HIS A 8 27.769 -22.181 -27.297 1.00 0.00 C ATOM 122 ND1 HIS A 8 29.067 -21.912 -27.677 1.00 0.00 N ATOM 123 CD2 HIS A 8 27.781 -23.436 -26.786 1.00 0.00 C ATOM 124 CE1 HIS A 8 29.828 -22.959 -27.408 1.00 0.00 C ATOM 125 NE2 HIS A 8 29.072 -23.896 -26.867 1.00 0.00 N ATOM 0 H HIS A 8 24.234 -20.316 -28.845 1.00 0.00 H new ATOM 0 HA HIS A 8 27.064 -20.706 -29.513 1.00 0.00 H new ATOM 0 HB2 HIS A 8 26.958 -20.237 -27.064 1.00 0.00 H new ATOM 0 HB3 HIS A 8 25.796 -21.535 -26.873 1.00 0.00 H new ATOM 0 HD2 HIS A 8 26.933 -23.974 -26.389 1.00 0.00 H new ATOM 0 HE1 HIS A 8 30.888 -23.035 -27.599 1.00 0.00 H new ATOM 0 HE2 HIS A 8 29.395 -24.813 -26.559 1.00 0.00 H new ATOM 134 N HIS A 9 24.757 -22.959 -28.758 1.00 0.00 N ATOM 135 CA HIS A 9 24.183 -24.232 -29.180 1.00 0.00 C ATOM 136 C HIS A 9 22.883 -24.516 -28.433 1.00 0.00 C ATOM 137 O HIS A 9 22.714 -25.583 -27.841 1.00 0.00 O ATOM 138 CB HIS A 9 25.182 -25.366 -28.943 1.00 0.00 C ATOM 139 CG HIS A 9 25.042 -26.499 -29.913 1.00 0.00 C ATOM 140 ND1 HIS A 9 24.725 -27.785 -29.528 1.00 0.00 N ATOM 141 CD2 HIS A 9 25.177 -26.534 -31.260 1.00 0.00 C ATOM 142 CE1 HIS A 9 24.672 -28.561 -30.596 1.00 0.00 C ATOM 143 NE2 HIS A 9 24.941 -27.826 -31.659 1.00 0.00 N ATOM 0 H HIS A 9 24.379 -22.595 -27.884 1.00 0.00 H new ATOM 0 HA HIS A 9 23.961 -24.170 -30.245 1.00 0.00 H new ATOM 0 HB2 HIS A 9 26.194 -24.967 -29.007 1.00 0.00 H new ATOM 0 HB3 HIS A 9 25.053 -25.747 -27.930 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.424 -25.701 -31.901 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.447 -29.617 -30.599 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.969 -28.164 -32.621 1.00 0.00 H new ATOM 152 N HIS A 10 21.967 -23.555 -28.467 1.00 0.00 N ATOM 153 CA HIS A 10 20.681 -23.700 -27.795 1.00 0.00 C ATOM 154 C HIS A 10 19.557 -23.109 -28.639 1.00 0.00 C ATOM 155 O HIS A 10 19.336 -21.898 -28.638 1.00 0.00 O ATOM 156 CB HIS A 10 20.718 -23.020 -26.426 1.00 0.00 C ATOM 157 CG HIS A 10 19.878 -23.706 -25.394 1.00 0.00 C ATOM 158 ND1 HIS A 10 19.735 -25.076 -25.329 1.00 0.00 N ATOM 159 CD2 HIS A 10 19.131 -23.204 -24.382 1.00 0.00 C ATOM 160 CE1 HIS A 10 18.937 -25.387 -24.322 1.00 0.00 C ATOM 161 NE2 HIS A 10 18.558 -24.269 -23.732 1.00 0.00 N ATOM 0 H HIS A 10 22.091 -22.667 -28.953 1.00 0.00 H new ATOM 0 HA HIS A 10 20.488 -24.764 -27.659 1.00 0.00 H new ATOM 0 HB2 HIS A 10 21.750 -22.982 -26.076 1.00 0.00 H new ATOM 0 HB3 HIS A 10 20.379 -21.989 -26.532 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.009 -22.160 -24.133 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.645 -26.385 -24.032 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.939 -24.206 -22.924 1.00 0.00 H new ATOM 170 N THR A 11 18.848 -23.971 -29.359 1.00 0.00 N ATOM 171 CA THR A 11 17.746 -23.535 -30.208 1.00 0.00 C ATOM 172 C THR A 11 16.582 -23.024 -29.366 1.00 0.00 C ATOM 173 O THR A 11 16.053 -23.743 -28.518 1.00 0.00 O ATOM 174 CB THR A 11 17.278 -24.681 -31.104 1.00 0.00 C ATOM 175 OG1 THR A 11 17.013 -25.842 -30.336 1.00 0.00 O ATOM 176 CG2 THR A 11 18.284 -25.056 -32.170 1.00 0.00 C ATOM 0 H THR A 11 19.017 -24.977 -29.372 1.00 0.00 H new ATOM 0 HA THR A 11 18.105 -22.719 -30.835 1.00 0.00 H new ATOM 0 HB THR A 11 16.375 -24.316 -31.592 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.628 -25.583 -29.473 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.889 -25.875 -32.771 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.473 -24.195 -32.811 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.215 -25.368 -31.698 1.00 0.00 H new ATOM 184 N ASP A 12 16.187 -21.777 -29.603 1.00 0.00 N ATOM 185 CA ASP A 12 15.086 -21.170 -28.866 1.00 0.00 C ATOM 186 C ASP A 12 13.813 -21.141 -29.707 1.00 0.00 C ATOM 187 O ASP A 12 13.617 -20.239 -30.521 1.00 0.00 O ATOM 188 CB ASP A 12 15.451 -19.750 -28.434 1.00 0.00 C ATOM 189 CG ASP A 12 16.778 -19.690 -27.704 1.00 0.00 C ATOM 190 OD1 ASP A 12 16.920 -20.381 -26.674 1.00 0.00 O ATOM 191 OD2 ASP A 12 17.675 -18.952 -28.164 1.00 0.00 O ATOM 0 H ASP A 12 16.614 -21.167 -30.300 1.00 0.00 H new ATOM 0 HA ASP A 12 14.903 -21.778 -27.980 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.493 -19.106 -29.312 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.666 -19.357 -27.788 1.00 0.00 H new ATOM 196 N PRO A 13 12.921 -22.126 -29.507 1.00 0.00 N ATOM 197 CA PRO A 13 11.654 -22.203 -30.239 1.00 0.00 C ATOM 198 C PRO A 13 10.665 -21.135 -29.795 1.00 0.00 C ATOM 199 O PRO A 13 9.548 -21.070 -30.307 1.00 0.00 O ATOM 200 CB PRO A 13 11.125 -23.593 -29.882 1.00 0.00 C ATOM 201 CG PRO A 13 11.717 -23.890 -28.550 1.00 0.00 C ATOM 202 CD PRO A 13 13.070 -23.234 -28.543 1.00 0.00 C ATOM 0 HA PRO A 13 11.791 -22.042 -31.308 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.036 -23.604 -29.843 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.425 -24.334 -30.623 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.090 -23.500 -27.748 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.804 -24.965 -28.392 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.334 -22.869 -27.550 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.854 -23.928 -28.847 1.00 0.00 H new ATOM 210 N MET A 14 11.056 -20.304 -28.823 1.00 0.00 N ATOM 211 CA MET A 14 10.159 -19.273 -28.321 1.00 0.00 C ATOM 212 C MET A 14 8.871 -19.934 -27.871 1.00 0.00 C ATOM 213 O MET A 14 7.781 -19.419 -28.096 1.00 0.00 O ATOM 214 CB MET A 14 9.873 -18.236 -29.410 1.00 0.00 C ATOM 215 CG MET A 14 9.824 -16.807 -28.891 1.00 0.00 C ATOM 216 SD MET A 14 10.734 -15.654 -29.935 1.00 0.00 S ATOM 217 CE MET A 14 10.928 -14.267 -28.818 1.00 0.00 C ATOM 0 H MET A 14 11.973 -20.328 -28.378 1.00 0.00 H new ATOM 0 HA MET A 14 10.624 -18.757 -27.481 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.641 -18.308 -30.180 1.00 0.00 H new ATOM 0 HB3 MET A 14 8.922 -18.474 -29.886 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.785 -16.486 -28.822 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.234 -16.778 -27.882 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.474 -13.469 -29.320 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.946 -13.901 -28.518 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.482 -14.586 -27.935 1.00 0.00 H new ATOM 227 N SER A 15 9.010 -21.114 -27.270 1.00 0.00 N ATOM 228 CA SER A 15 7.850 -21.876 -26.832 1.00 0.00 C ATOM 229 C SER A 15 6.889 -22.035 -28.006 1.00 0.00 C ATOM 230 O SER A 15 5.674 -22.116 -27.831 1.00 0.00 O ATOM 231 CB SER A 15 7.152 -21.173 -25.665 1.00 0.00 C ATOM 232 OG SER A 15 6.735 -22.106 -24.683 1.00 0.00 O ATOM 0 H SER A 15 9.908 -21.558 -27.078 1.00 0.00 H new ATOM 0 HA SER A 15 8.173 -22.858 -26.487 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.830 -20.447 -25.216 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.289 -20.619 -26.034 1.00 0.00 H new ATOM 0 HG SER A 15 6.294 -21.632 -23.948 1.00 0.00 H new ATOM 238 N ALA A 16 7.462 -22.046 -29.209 1.00 0.00 N ATOM 239 CA ALA A 16 6.690 -22.158 -30.433 1.00 0.00 C ATOM 240 C ALA A 16 5.763 -20.958 -30.575 1.00 0.00 C ATOM 241 O ALA A 16 4.651 -21.063 -31.094 1.00 0.00 O ATOM 242 CB ALA A 16 5.924 -23.466 -30.459 1.00 0.00 C ATOM 0 H ALA A 16 8.469 -21.978 -29.356 1.00 0.00 H new ATOM 0 HA ALA A 16 7.368 -22.161 -31.287 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.351 -23.534 -31.384 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.625 -24.299 -30.405 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.245 -23.507 -29.607 1.00 0.00 H new ATOM 248 N ILE A 17 6.249 -19.813 -30.102 1.00 0.00 N ATOM 249 CA ILE A 17 5.508 -18.562 -30.153 1.00 0.00 C ATOM 250 C ILE A 17 5.448 -18.024 -31.582 1.00 0.00 C ATOM 251 O ILE A 17 6.475 -17.691 -32.176 1.00 0.00 O ATOM 252 CB ILE A 17 6.160 -17.513 -29.219 1.00 0.00 C ATOM 253 CG1 ILE A 17 5.742 -17.758 -27.768 1.00 0.00 C ATOM 254 CG2 ILE A 17 5.795 -16.099 -29.638 1.00 0.00 C ATOM 255 CD1 ILE A 17 6.762 -17.277 -26.757 1.00 0.00 C ATOM 0 H ILE A 17 7.170 -19.730 -29.672 1.00 0.00 H new ATOM 0 HA ILE A 17 4.490 -18.756 -29.814 1.00 0.00 H new ATOM 0 HB ILE A 17 7.242 -17.621 -29.300 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.793 -17.256 -27.582 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.572 -18.825 -27.622 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.268 -15.386 -28.963 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.142 -15.920 -30.656 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.713 -15.975 -29.596 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.400 -17.483 -25.749 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.706 -17.797 -26.917 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.914 -16.204 -26.876 1.00 0.00 H new ATOM 267 N GLN A 18 4.238 -17.944 -32.127 1.00 0.00 N ATOM 268 CA GLN A 18 4.040 -17.447 -33.484 1.00 0.00 C ATOM 269 C GLN A 18 3.185 -16.184 -33.481 1.00 0.00 C ATOM 270 O GLN A 18 2.957 -15.580 -32.432 1.00 0.00 O ATOM 271 CB GLN A 18 3.384 -18.523 -34.352 1.00 0.00 C ATOM 272 CG GLN A 18 4.033 -19.891 -34.221 1.00 0.00 C ATOM 273 CD GLN A 18 4.098 -20.634 -35.540 1.00 0.00 C ATOM 274 OE1 GLN A 18 5.128 -21.207 -35.894 1.00 0.00 O ATOM 275 NE2 GLN A 18 2.994 -20.627 -36.278 1.00 0.00 N ATOM 0 H GLN A 18 3.379 -18.217 -31.649 1.00 0.00 H new ATOM 0 HA GLN A 18 5.016 -17.200 -33.901 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.331 -18.603 -34.083 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.423 -18.210 -35.395 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.041 -19.774 -33.824 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.474 -20.487 -33.500 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.162 -20.139 -35.946 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.978 -21.109 -37.177 1.00 0.00 H new ATOM 284 N ASN A 19 2.715 -15.787 -34.659 1.00 0.00 N ATOM 285 CA ASN A 19 1.887 -14.593 -34.787 1.00 0.00 C ATOM 286 C ASN A 19 0.411 -14.961 -34.912 1.00 0.00 C ATOM 287 O ASN A 19 -0.346 -14.294 -35.618 1.00 0.00 O ATOM 288 CB ASN A 19 2.324 -13.772 -36.002 1.00 0.00 C ATOM 289 CG ASN A 19 3.782 -13.362 -35.927 1.00 0.00 C ATOM 290 OD1 ASN A 19 4.136 -12.416 -35.225 1.00 0.00 O ATOM 291 ND2 ASN A 19 4.635 -14.074 -36.654 1.00 0.00 N ATOM 0 H ASN A 19 2.893 -16.274 -35.538 1.00 0.00 H new ATOM 0 HA ASN A 19 2.017 -13.995 -33.885 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.159 -14.354 -36.909 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.702 -12.880 -36.078 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.629 -13.844 -36.645 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.297 -14.851 -37.222 1.00 0.00 H new ATOM 298 N LEU A 20 0.008 -16.023 -34.223 1.00 0.00 N ATOM 299 CA LEU A 20 -1.379 -16.475 -34.258 1.00 0.00 C ATOM 300 C LEU A 20 -1.988 -16.469 -32.856 1.00 0.00 C ATOM 301 O LEU A 20 -2.632 -15.499 -32.456 1.00 0.00 O ATOM 302 CB LEU A 20 -1.467 -17.875 -34.873 1.00 0.00 C ATOM 303 CG LEU A 20 -1.880 -17.910 -36.346 1.00 0.00 C ATOM 304 CD1 LEU A 20 -3.334 -17.488 -36.504 1.00 0.00 C ATOM 305 CD2 LEU A 20 -0.969 -17.017 -37.175 1.00 0.00 C ATOM 0 H LEU A 20 0.621 -16.587 -33.634 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.948 -15.784 -34.879 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.497 -18.361 -34.772 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.181 -18.464 -34.297 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.780 -18.933 -36.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.609 -17.519 -37.558 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.973 -18.168 -35.942 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.462 -16.474 -36.125 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.277 -17.054 -38.220 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.037 -15.991 -36.812 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.060 -17.366 -37.087 1.00 0.00 H new ATOM 317 N HIS A 21 -1.778 -17.555 -32.112 1.00 0.00 N ATOM 318 CA HIS A 21 -2.305 -17.669 -30.755 1.00 0.00 C ATOM 319 C HIS A 21 -3.805 -17.385 -30.719 1.00 0.00 C ATOM 320 O HIS A 21 -4.228 -16.229 -30.726 1.00 0.00 O ATOM 321 CB HIS A 21 -1.567 -16.710 -29.819 1.00 0.00 C ATOM 322 CG HIS A 21 -0.856 -17.399 -28.695 1.00 0.00 C ATOM 323 ND1 HIS A 21 -1.145 -17.168 -27.366 1.00 0.00 N ATOM 324 CD2 HIS A 21 0.136 -18.321 -28.708 1.00 0.00 C ATOM 325 CE1 HIS A 21 -0.359 -17.916 -26.611 1.00 0.00 C ATOM 326 NE2 HIS A 21 0.425 -18.625 -27.401 1.00 0.00 N ATOM 0 H HIS A 21 -1.247 -18.367 -32.427 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.145 -18.693 -30.417 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.844 -16.135 -30.398 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.281 -15.998 -29.404 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.611 -18.739 -29.583 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.359 -17.942 -25.531 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.132 -19.292 -27.090 1.00 0.00 H new ATOM 335 N SER A 22 -4.606 -18.448 -30.677 1.00 0.00 N ATOM 336 CA SER A 22 -6.062 -18.319 -30.636 1.00 0.00 C ATOM 337 C SER A 22 -6.623 -17.945 -32.006 1.00 0.00 C ATOM 338 O SER A 22 -7.449 -18.666 -32.565 1.00 0.00 O ATOM 339 CB SER A 22 -6.485 -17.276 -29.597 1.00 0.00 C ATOM 340 OG SER A 22 -5.615 -17.289 -28.479 1.00 0.00 O ATOM 0 H SER A 22 -4.270 -19.411 -30.670 1.00 0.00 H new ATOM 0 HA SER A 22 -6.470 -19.289 -30.350 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.484 -16.285 -30.051 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.505 -17.476 -29.270 1.00 0.00 H new ATOM 0 HG SER A 22 -5.905 -16.613 -27.831 1.00 0.00 H new ATOM 346 N PHE A 23 -6.171 -16.812 -32.542 1.00 0.00 N ATOM 347 CA PHE A 23 -6.628 -16.338 -33.847 1.00 0.00 C ATOM 348 C PHE A 23 -6.638 -17.468 -34.875 1.00 0.00 C ATOM 349 O PHE A 23 -5.682 -18.236 -34.978 1.00 0.00 O ATOM 350 CB PHE A 23 -5.735 -15.197 -34.337 1.00 0.00 C ATOM 351 CG PHE A 23 -6.160 -14.626 -35.660 1.00 0.00 C ATOM 352 CD1 PHE A 23 -7.473 -14.239 -35.873 1.00 0.00 C ATOM 353 CD2 PHE A 23 -5.245 -14.477 -36.690 1.00 0.00 C ATOM 354 CE1 PHE A 23 -7.867 -13.714 -37.089 1.00 0.00 C ATOM 355 CE2 PHE A 23 -5.633 -13.953 -37.908 1.00 0.00 C ATOM 356 CZ PHE A 23 -6.945 -13.570 -38.108 1.00 0.00 C ATOM 0 H PHE A 23 -5.487 -16.204 -32.091 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.649 -15.973 -33.732 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.734 -14.402 -33.591 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.710 -15.559 -34.419 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.197 -14.349 -35.079 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.218 -14.774 -36.539 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.894 -13.417 -37.243 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.911 -13.843 -38.703 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.250 -13.159 -39.059 1.00 0.00 H new ATOM 366 N ASP A 24 -7.728 -17.562 -35.631 1.00 0.00 N ATOM 367 CA ASP A 24 -7.867 -18.595 -36.650 1.00 0.00 C ATOM 368 C ASP A 24 -7.412 -18.081 -38.017 1.00 0.00 C ATOM 369 O ASP A 24 -7.912 -17.064 -38.499 1.00 0.00 O ATOM 370 CB ASP A 24 -9.319 -19.068 -36.729 1.00 0.00 C ATOM 371 CG ASP A 24 -9.757 -19.801 -35.476 1.00 0.00 C ATOM 372 OD1 ASP A 24 -9.197 -20.881 -35.193 1.00 0.00 O ATOM 373 OD2 ASP A 24 -10.662 -19.295 -34.778 1.00 0.00 O ATOM 0 H ASP A 24 -8.528 -16.934 -35.556 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.231 -19.435 -36.369 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.970 -18.209 -36.890 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.438 -19.724 -37.591 1.00 0.00 H new ATOM 378 N PRO A 25 -6.457 -18.776 -38.664 1.00 0.00 N ATOM 379 CA PRO A 25 -5.948 -18.373 -39.981 1.00 0.00 C ATOM 380 C PRO A 25 -7.054 -18.297 -41.029 1.00 0.00 C ATOM 381 O PRO A 25 -7.090 -17.375 -41.841 1.00 0.00 O ATOM 382 CB PRO A 25 -4.948 -19.476 -40.342 1.00 0.00 C ATOM 383 CG PRO A 25 -4.587 -20.115 -39.046 1.00 0.00 C ATOM 384 CD PRO A 25 -5.803 -20.001 -38.172 1.00 0.00 C ATOM 0 HA PRO A 25 -5.506 -17.377 -39.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.390 -20.199 -41.028 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.068 -19.064 -40.836 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.308 -21.159 -39.191 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.732 -19.616 -38.590 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.452 -20.871 -38.270 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.536 -19.919 -37.118 1.00 0.00 H new ATOM 392 N PHE A 26 -7.951 -19.278 -41.005 1.00 0.00 N ATOM 393 CA PHE A 26 -9.057 -19.324 -41.956 1.00 0.00 C ATOM 394 C PHE A 26 -10.396 -19.434 -41.233 1.00 0.00 C ATOM 395 O PHE A 26 -11.353 -19.998 -41.763 1.00 0.00 O ATOM 396 CB PHE A 26 -8.882 -20.507 -42.910 1.00 0.00 C ATOM 397 CG PHE A 26 -8.797 -21.834 -42.211 1.00 0.00 C ATOM 398 CD1 PHE A 26 -7.663 -22.182 -41.495 1.00 0.00 C ATOM 399 CD2 PHE A 26 -9.849 -22.733 -42.271 1.00 0.00 C ATOM 400 CE1 PHE A 26 -7.581 -23.401 -40.850 1.00 0.00 C ATOM 401 CE2 PHE A 26 -9.773 -23.953 -41.628 1.00 0.00 C ATOM 402 CZ PHE A 26 -8.638 -24.288 -40.916 1.00 0.00 C ATOM 0 H PHE A 26 -7.934 -20.050 -40.339 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.051 -18.396 -42.528 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.718 -20.527 -43.609 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.977 -20.357 -43.499 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.834 -21.492 -41.440 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.739 -22.477 -42.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.692 -23.660 -40.295 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.601 -24.645 -41.682 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.577 -25.241 -40.412 1.00 0.00 H new ATOM 412 N ALA A 27 -10.458 -18.889 -40.022 1.00 0.00 N ATOM 413 CA ALA A 27 -11.681 -18.926 -39.228 1.00 0.00 C ATOM 414 C ALA A 27 -12.093 -20.361 -38.920 1.00 0.00 C ATOM 415 O ALA A 27 -12.389 -21.142 -39.824 1.00 0.00 O ATOM 416 CB ALA A 27 -12.803 -18.198 -39.952 1.00 0.00 C ATOM 0 H ALA A 27 -9.676 -18.417 -39.569 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.485 -18.421 -38.282 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.709 -18.234 -39.348 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.517 -17.159 -40.115 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.988 -18.679 -40.913 1.00 0.00 H new ATOM 422 N ASP A 28 -12.112 -20.703 -37.635 1.00 0.00 N ATOM 423 CA ASP A 28 -12.490 -22.045 -37.207 1.00 0.00 C ATOM 424 C ASP A 28 -12.857 -22.061 -35.727 1.00 0.00 C ATOM 425 O ASP A 28 -12.251 -21.356 -34.920 1.00 0.00 O ATOM 426 CB ASP A 28 -11.347 -23.028 -37.471 1.00 0.00 C ATOM 427 CG ASP A 28 -11.847 -24.387 -37.921 1.00 0.00 C ATOM 428 OD1 ASP A 28 -12.537 -25.059 -37.125 1.00 0.00 O ATOM 429 OD2 ASP A 28 -11.549 -24.780 -39.068 1.00 0.00 O ATOM 0 H ASP A 28 -11.870 -20.070 -36.873 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.364 -22.350 -37.783 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.686 -22.616 -38.233 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.754 -23.144 -36.564 1.00 0.00 H new ATOM 434 N ALA A 29 -13.852 -22.869 -35.378 1.00 0.00 N ATOM 435 CA ALA A 29 -14.300 -22.977 -33.996 1.00 0.00 C ATOM 436 C ALA A 29 -13.201 -23.547 -33.105 1.00 0.00 C ATOM 437 O ALA A 29 -12.796 -24.698 -33.262 1.00 0.00 O ATOM 438 CB ALA A 29 -15.550 -23.839 -33.911 1.00 0.00 C ATOM 0 H ALA A 29 -14.364 -23.459 -36.034 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.538 -21.975 -33.639 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.873 -23.910 -32.872 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -16.344 -23.389 -34.507 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.331 -24.836 -34.292 1.00 0.00 H new ATOM 444 N SER A 30 -12.721 -22.731 -32.171 1.00 0.00 N ATOM 445 CA SER A 30 -11.668 -23.155 -31.255 1.00 0.00 C ATOM 446 C SER A 30 -12.085 -22.927 -29.805 1.00 0.00 C ATOM 447 O SER A 30 -11.427 -22.195 -29.064 1.00 0.00 O ATOM 448 CB SER A 30 -10.371 -22.399 -31.553 1.00 0.00 C ATOM 449 OG SER A 30 -9.239 -23.224 -31.338 1.00 0.00 O ATOM 0 H SER A 30 -13.044 -21.774 -32.029 1.00 0.00 H new ATOM 0 HA SER A 30 -11.499 -24.222 -31.401 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.379 -22.049 -32.585 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.307 -21.516 -30.918 1.00 0.00 H new ATOM 0 HG SER A 30 -8.423 -22.718 -31.537 1.00 0.00 H new ATOM 455 N LYS A 31 -13.183 -23.558 -29.405 1.00 0.00 N ATOM 456 CA LYS A 31 -13.690 -23.426 -28.043 1.00 0.00 C ATOM 457 C LYS A 31 -13.908 -24.797 -27.411 1.00 0.00 C ATOM 458 O LYS A 31 -14.951 -25.422 -27.604 1.00 0.00 O ATOM 459 CB LYS A 31 -15.001 -22.635 -28.035 1.00 0.00 C ATOM 460 CG LYS A 31 -15.016 -21.465 -29.009 1.00 0.00 C ATOM 461 CD LYS A 31 -13.920 -20.461 -28.690 1.00 0.00 C ATOM 462 CE LYS A 31 -14.388 -19.033 -28.920 1.00 0.00 C ATOM 463 NZ LYS A 31 -14.832 -18.811 -30.325 1.00 0.00 N ATOM 0 H LYS A 31 -13.740 -24.167 -30.005 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.946 -22.887 -27.457 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.823 -23.309 -28.277 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.183 -22.260 -27.028 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.887 -21.835 -30.026 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.987 -20.970 -28.970 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.607 -20.580 -27.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.048 -20.664 -29.311 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.209 -18.807 -28.240 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.578 -18.343 -28.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.030 -17.801 -30.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.082 -19.115 -30.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.694 -19.363 -30.508 1.00 0.00 H new ATOM 477 N GLY A 32 -12.917 -25.259 -26.655 1.00 0.00 N ATOM 478 CA GLY A 32 -13.022 -26.554 -26.007 1.00 0.00 C ATOM 479 C GLY A 32 -12.564 -26.522 -24.563 1.00 0.00 C ATOM 480 O GLY A 32 -11.909 -27.452 -24.091 1.00 0.00 O ATOM 0 H GLY A 32 -12.044 -24.761 -26.480 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.057 -26.894 -26.049 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.425 -27.281 -26.558 1.00 0.00 H new ATOM 484 N ASP A 33 -12.911 -25.450 -23.857 1.00 0.00 N ATOM 485 CA ASP A 33 -12.531 -25.302 -22.456 1.00 0.00 C ATOM 486 C ASP A 33 -11.013 -25.333 -22.296 1.00 0.00 C ATOM 487 O ASP A 33 -10.474 -26.142 -21.540 1.00 0.00 O ATOM 488 CB ASP A 33 -13.170 -26.409 -21.616 1.00 0.00 C ATOM 489 CG ASP A 33 -13.150 -26.093 -20.133 1.00 0.00 C ATOM 490 OD1 ASP A 33 -13.301 -24.905 -19.777 1.00 0.00 O ATOM 491 OD2 ASP A 33 -12.984 -27.033 -19.327 1.00 0.00 O ATOM 0 H ASP A 33 -13.454 -24.672 -24.231 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.892 -24.335 -22.106 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.200 -26.558 -21.939 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.642 -27.346 -21.792 1.00 0.00 H new ATOM 496 N ASP A 34 -10.330 -24.446 -23.012 1.00 0.00 N ATOM 497 CA ASP A 34 -8.875 -24.372 -22.949 1.00 0.00 C ATOM 498 C ASP A 34 -8.397 -22.929 -23.087 1.00 0.00 C ATOM 499 O ASP A 34 -7.379 -22.660 -23.722 1.00 0.00 O ATOM 500 CB ASP A 34 -8.251 -25.237 -24.046 1.00 0.00 C ATOM 501 CG ASP A 34 -7.021 -25.980 -23.566 1.00 0.00 C ATOM 502 OD1 ASP A 34 -7.008 -26.415 -22.395 1.00 0.00 O ATOM 503 OD2 ASP A 34 -6.068 -26.128 -24.360 1.00 0.00 O ATOM 0 H ASP A 34 -10.760 -23.769 -23.642 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.558 -24.749 -21.976 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.989 -25.955 -24.403 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.983 -24.607 -24.894 1.00 0.00 H new ATOM 508 N LEU A 35 -9.143 -22.006 -22.489 1.00 0.00 N ATOM 509 CA LEU A 35 -8.796 -20.590 -22.545 1.00 0.00 C ATOM 510 C LEU A 35 -8.344 -20.085 -21.178 1.00 0.00 C ATOM 511 O LEU A 35 -9.023 -19.274 -20.547 1.00 0.00 O ATOM 512 CB LEU A 35 -9.992 -19.771 -23.037 1.00 0.00 C ATOM 513 CG LEU A 35 -9.645 -18.395 -23.611 1.00 0.00 C ATOM 514 CD1 LEU A 35 -8.589 -18.523 -24.700 1.00 0.00 C ATOM 515 CD2 LEU A 35 -10.894 -17.710 -24.151 1.00 0.00 C ATOM 0 H LEU A 35 -9.991 -22.212 -21.961 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.970 -20.470 -23.246 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.516 -20.345 -23.802 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.687 -19.637 -22.208 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.238 -17.779 -22.809 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.354 -17.535 -25.097 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.687 -18.970 -24.282 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.969 -19.156 -25.502 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.628 -16.733 -24.555 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.332 -18.322 -24.940 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.617 -17.584 -23.345 1.00 0.00 H new ATOM 527 N LEU A 36 -7.192 -20.570 -20.726 1.00 0.00 N ATOM 528 CA LEU A 36 -6.648 -20.168 -19.434 1.00 0.00 C ATOM 529 C LEU A 36 -5.467 -19.217 -19.613 1.00 0.00 C ATOM 530 O LEU A 36 -4.747 -19.290 -20.608 1.00 0.00 O ATOM 531 CB LEU A 36 -6.214 -21.397 -18.632 1.00 0.00 C ATOM 532 CG LEU A 36 -7.264 -21.948 -17.665 1.00 0.00 C ATOM 533 CD1 LEU A 36 -7.575 -20.931 -16.577 1.00 0.00 C ATOM 534 CD2 LEU A 36 -8.529 -22.331 -18.416 1.00 0.00 C ATOM 0 H LEU A 36 -6.617 -21.242 -21.235 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.432 -19.646 -18.885 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.936 -22.187 -19.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.319 -21.143 -18.065 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.860 -22.843 -17.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.324 -21.341 -15.899 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.666 -20.705 -16.020 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.959 -20.018 -17.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.265 -22.721 -17.713 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.935 -21.452 -18.917 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.295 -23.095 -19.157 1.00 0.00 H new ATOM 546 N PRO A 37 -5.253 -18.308 -18.647 1.00 0.00 N ATOM 547 CA PRO A 37 -4.152 -17.340 -18.703 1.00 0.00 C ATOM 548 C PRO A 37 -2.802 -18.011 -18.931 1.00 0.00 C ATOM 549 O PRO A 37 -2.584 -19.148 -18.511 1.00 0.00 O ATOM 550 CB PRO A 37 -4.192 -16.673 -17.327 1.00 0.00 C ATOM 551 CG PRO A 37 -5.598 -16.838 -16.865 1.00 0.00 C ATOM 552 CD PRO A 37 -6.065 -18.152 -17.426 1.00 0.00 C ATOM 0 HA PRO A 37 -4.266 -16.642 -19.532 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.491 -17.145 -16.638 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.917 -15.620 -17.390 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.654 -16.836 -15.776 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.224 -16.018 -17.218 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.899 -18.970 -16.725 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.131 -18.137 -17.651 1.00 0.00 H new ATOM 560 N ALA A 38 -1.899 -17.302 -19.599 1.00 0.00 N ATOM 561 CA ALA A 38 -0.569 -17.829 -19.882 1.00 0.00 C ATOM 562 C ALA A 38 0.414 -16.704 -20.182 1.00 0.00 C ATOM 563 O ALA A 38 0.681 -16.390 -21.342 1.00 0.00 O ATOM 564 CB ALA A 38 -0.627 -18.806 -21.047 1.00 0.00 C ATOM 0 H ALA A 38 -2.064 -16.360 -19.955 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.217 -18.357 -18.996 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.372 -19.192 -21.248 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.292 -19.633 -20.796 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.003 -18.294 -21.933 1.00 0.00 H new ATOM 570 N GLY A 39 0.952 -16.099 -19.127 1.00 0.00 N ATOM 571 CA GLY A 39 1.901 -15.013 -19.297 1.00 0.00 C ATOM 572 C GLY A 39 1.428 -13.725 -18.651 1.00 0.00 C ATOM 573 O GLY A 39 1.459 -12.664 -19.273 1.00 0.00 O ATOM 0 H GLY A 39 0.748 -16.341 -18.158 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.860 -15.301 -18.866 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.068 -14.843 -20.361 1.00 0.00 H new ATOM 577 N THR A 40 0.990 -13.821 -17.400 1.00 0.00 N ATOM 578 CA THR A 40 0.507 -12.655 -16.668 1.00 0.00 C ATOM 579 C THR A 40 1.533 -12.193 -15.639 1.00 0.00 C ATOM 580 O THR A 40 1.597 -11.012 -15.300 1.00 0.00 O ATOM 581 CB THR A 40 -0.824 -12.971 -15.978 1.00 0.00 C ATOM 582 OG1 THR A 40 -1.114 -14.356 -16.054 1.00 0.00 O ATOM 583 CG2 THR A 40 -1.997 -12.224 -16.574 1.00 0.00 C ATOM 0 H THR A 40 0.959 -14.693 -16.872 1.00 0.00 H new ATOM 0 HA THR A 40 0.352 -11.848 -17.384 1.00 0.00 H new ATOM 0 HB THR A 40 -0.696 -12.651 -14.944 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.967 -14.537 -15.606 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.909 -12.493 -16.040 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.828 -11.151 -16.486 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.101 -12.490 -17.626 1.00 0.00 H new ATOM 591 N GLU A 41 2.332 -13.133 -15.139 1.00 0.00 N ATOM 592 CA GLU A 41 3.356 -12.824 -14.143 1.00 0.00 C ATOM 593 C GLU A 41 2.738 -12.367 -12.822 1.00 0.00 C ATOM 594 O GLU A 41 3.445 -11.899 -11.929 1.00 0.00 O ATOM 595 CB GLU A 41 4.306 -11.750 -14.673 1.00 0.00 C ATOM 596 CG GLU A 41 4.933 -12.100 -16.012 1.00 0.00 C ATOM 597 CD GLU A 41 4.931 -10.934 -16.981 1.00 0.00 C ATOM 598 OE1 GLU A 41 5.898 -10.144 -16.960 1.00 0.00 O ATOM 599 OE2 GLU A 41 3.962 -10.810 -17.759 1.00 0.00 O ATOM 0 H GLU A 41 2.290 -14.116 -15.407 1.00 0.00 H new ATOM 0 HA GLU A 41 3.916 -13.740 -13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.761 -10.811 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.098 -11.585 -13.943 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.959 -12.433 -15.852 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.392 -12.936 -16.455 1.00 0.00 H new ATOM 606 N ASP A 42 1.420 -12.505 -12.698 1.00 0.00 N ATOM 607 CA ASP A 42 0.720 -12.106 -11.481 1.00 0.00 C ATOM 608 C ASP A 42 1.017 -10.650 -11.140 1.00 0.00 C ATOM 609 O ASP A 42 1.577 -10.349 -10.086 1.00 0.00 O ATOM 610 CB ASP A 42 1.121 -13.011 -10.315 1.00 0.00 C ATOM 611 CG ASP A 42 0.197 -14.203 -10.165 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.034 -13.997 -10.106 1.00 0.00 O ATOM 613 OD2 ASP A 42 0.703 -15.343 -10.108 1.00 0.00 O ATOM 0 H ASP A 42 0.816 -12.890 -13.425 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.351 -12.209 -11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.142 -13.363 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.116 -12.432 -9.391 1.00 0.00 H new ATOM 618 N TYR A 43 0.640 -9.752 -12.041 1.00 0.00 N ATOM 619 CA TYR A 43 0.869 -8.327 -11.841 1.00 0.00 C ATOM 620 C TYR A 43 0.242 -7.844 -10.538 1.00 0.00 C ATOM 621 O TYR A 43 -0.623 -8.508 -9.966 1.00 0.00 O ATOM 622 CB TYR A 43 0.302 -7.525 -13.015 1.00 0.00 C ATOM 623 CG TYR A 43 1.001 -7.770 -14.338 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.221 -8.439 -14.403 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.435 -7.326 -15.527 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.850 -8.655 -15.614 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.059 -7.540 -16.740 1.00 0.00 C ATOM 628 CZ TYR A 43 2.266 -8.204 -16.778 1.00 0.00 C ATOM 629 OH TYR A 43 2.892 -8.419 -17.985 1.00 0.00 O ATOM 0 H TYR A 43 0.174 -9.985 -12.918 1.00 0.00 H new ATOM 0 HA TYR A 43 1.946 -8.170 -11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.755 -7.766 -13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.363 -6.463 -12.777 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.682 -8.794 -13.493 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.510 -6.804 -15.502 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.796 -9.175 -15.648 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.604 -7.189 -17.654 1.00 0.00 H new ATOM 0 HH TYR A 43 3.307 -9.307 -17.985 1.00 0.00 H new ATOM 639 N ILE A 44 0.680 -6.676 -10.081 1.00 0.00 N ATOM 640 CA ILE A 44 0.164 -6.089 -8.852 1.00 0.00 C ATOM 641 C ILE A 44 -0.575 -4.788 -9.154 1.00 0.00 C ATOM 642 O ILE A 44 0.041 -3.751 -9.398 1.00 0.00 O ATOM 643 CB ILE A 44 1.292 -5.827 -7.833 1.00 0.00 C ATOM 644 CG1 ILE A 44 1.982 -7.140 -7.459 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.742 -5.145 -6.588 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.034 -8.185 -6.917 1.00 0.00 C ATOM 0 H ILE A 44 1.394 -6.116 -10.546 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.531 -6.804 -8.412 1.00 0.00 H new ATOM 0 HB ILE A 44 2.025 -5.164 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.487 -7.540 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.752 -6.938 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.553 -4.969 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.289 -4.193 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.010 -5.784 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.591 -9.090 -6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.548 -7.804 -6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.279 -8.416 -7.668 1.00 0.00 H new ATOM 658 N HIS A 45 -1.900 -4.864 -9.153 1.00 0.00 N ATOM 659 CA HIS A 45 -2.744 -3.711 -9.445 1.00 0.00 C ATOM 660 C HIS A 45 -2.763 -2.707 -8.295 1.00 0.00 C ATOM 661 O HIS A 45 -3.013 -3.063 -7.145 1.00 0.00 O ATOM 662 CB HIS A 45 -4.170 -4.178 -9.744 1.00 0.00 C ATOM 663 CG HIS A 45 -4.640 -3.855 -11.128 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.343 -4.636 -12.225 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.403 -2.836 -11.589 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.902 -4.112 -13.301 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.551 -3.020 -12.941 1.00 0.00 N ATOM 0 H HIS A 45 -2.417 -5.720 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.324 -3.208 -10.316 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.227 -5.256 -9.595 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.849 -3.720 -9.025 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.779 -5.486 -12.208 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.818 -2.029 -11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.839 -4.509 -14.303 1.00 0.00 H new ATOM 676 N ILE A 46 -2.518 -1.447 -8.627 1.00 0.00 N ATOM 677 CA ILE A 46 -2.533 -0.371 -7.635 1.00 0.00 C ATOM 678 C ILE A 46 -3.937 0.251 -7.557 1.00 0.00 C ATOM 679 O ILE A 46 -4.816 -0.305 -6.897 1.00 0.00 O ATOM 680 CB ILE A 46 -1.477 0.709 -7.957 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.083 0.077 -8.045 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.504 1.817 -6.913 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.475 -0.377 -6.710 1.00 0.00 C ATOM 0 H ILE A 46 -2.306 -1.140 -9.576 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.279 -0.799 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.717 1.152 -8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.125 -0.779 -8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.604 0.798 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.752 2.567 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.490 2.282 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.289 1.397 -5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.463 -0.813 -6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.552 0.478 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.189 -1.123 -6.273 1.00 0.00 H new ATOM 695 N ARG A 47 -4.160 1.384 -8.244 1.00 0.00 N ATOM 696 CA ARG A 47 -5.469 2.043 -8.266 1.00 0.00 C ATOM 697 C ARG A 47 -5.662 2.992 -7.089 1.00 0.00 C ATOM 698 O ARG A 47 -5.364 2.658 -5.943 1.00 0.00 O ATOM 699 CB ARG A 47 -6.604 1.012 -8.288 1.00 0.00 C ATOM 700 CG ARG A 47 -7.902 1.548 -8.872 1.00 0.00 C ATOM 701 CD ARG A 47 -8.569 0.529 -9.780 1.00 0.00 C ATOM 702 NE ARG A 47 -9.845 1.013 -10.302 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.954 1.968 -11.223 1.00 0.00 C ATOM 704 NH1 ARG A 47 -8.869 2.545 -11.723 1.00 0.00 N ATOM 705 NH2 ARG A 47 -11.153 2.348 -11.643 1.00 0.00 N ATOM 0 H ARG A 47 -3.445 1.861 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.500 2.634 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.285 0.145 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.789 0.665 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.582 1.816 -8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.700 2.460 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.904 0.293 -10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.731 -0.397 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.702 0.595 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.945 2.257 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.959 3.276 -12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.990 1.909 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.238 3.080 -12.349 1.00 0.00 H new ATOM 719 N ILE A 48 -6.180 4.176 -7.398 1.00 0.00 N ATOM 720 CA ILE A 48 -6.447 5.196 -6.390 1.00 0.00 C ATOM 721 C ILE A 48 -7.949 5.459 -6.282 1.00 0.00 C ATOM 722 O ILE A 48 -8.698 5.229 -7.232 1.00 0.00 O ATOM 723 CB ILE A 48 -5.715 6.520 -6.725 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.237 6.426 -6.343 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.367 7.706 -6.023 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.461 7.691 -6.636 1.00 0.00 C ATOM 0 H ILE A 48 -6.425 4.455 -8.348 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.074 4.823 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.792 6.680 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.158 6.197 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.782 5.596 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.830 8.620 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.405 7.793 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.332 7.554 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.420 7.556 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.511 7.909 -7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.892 8.520 -6.075 1.00 0.00 H new ATOM 738 N GLN A 49 -8.381 5.950 -5.126 1.00 0.00 N ATOM 739 CA GLN A 49 -9.790 6.254 -4.901 1.00 0.00 C ATOM 740 C GLN A 49 -9.938 7.570 -4.144 1.00 0.00 C ATOM 741 O GLN A 49 -9.880 7.600 -2.915 1.00 0.00 O ATOM 742 CB GLN A 49 -10.482 5.122 -4.131 1.00 0.00 C ATOM 743 CG GLN A 49 -9.551 4.331 -3.224 1.00 0.00 C ATOM 744 CD GLN A 49 -10.233 3.132 -2.593 1.00 0.00 C ATOM 745 OE1 GLN A 49 -9.840 1.988 -2.822 1.00 0.00 O ATOM 746 NE2 GLN A 49 -11.259 3.389 -1.791 1.00 0.00 N ATOM 0 H GLN A 49 -7.775 6.146 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.272 6.350 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.286 5.545 -3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.943 4.440 -4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.689 3.993 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.173 4.985 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.551 4.353 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.755 2.623 -1.336 1.00 0.00 H new ATOM 755 N GLN A 50 -10.120 8.655 -4.889 1.00 0.00 N ATOM 756 CA GLN A 50 -10.267 9.979 -4.291 1.00 0.00 C ATOM 757 C GLN A 50 -11.735 10.328 -4.076 1.00 0.00 C ATOM 758 O GLN A 50 -12.504 10.442 -5.029 1.00 0.00 O ATOM 759 CB GLN A 50 -9.603 11.036 -5.177 1.00 0.00 C ATOM 760 CG GLN A 50 -8.769 12.042 -4.402 1.00 0.00 C ATOM 761 CD GLN A 50 -8.049 13.026 -5.301 1.00 0.00 C ATOM 762 OE1 GLN A 50 -8.616 13.533 -6.269 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.790 13.302 -4.983 1.00 0.00 N ATOM 0 H GLN A 50 -10.169 8.645 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.775 9.964 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.968 10.537 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.374 11.568 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.415 12.590 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.037 11.509 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.360 12.858 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.253 13.958 -5.550 1.00 0.00 H new ATOM 772 N ARG A 51 -12.113 10.504 -2.814 1.00 0.00 N ATOM 773 CA ARG A 51 -13.487 10.850 -2.469 1.00 0.00 C ATOM 774 C ARG A 51 -13.630 12.359 -2.305 1.00 0.00 C ATOM 775 O ARG A 51 -12.901 12.981 -1.533 1.00 0.00 O ATOM 776 CB ARG A 51 -13.910 10.141 -1.181 1.00 0.00 C ATOM 777 CG ARG A 51 -13.478 8.685 -1.118 1.00 0.00 C ATOM 778 CD ARG A 51 -14.058 7.880 -2.268 1.00 0.00 C ATOM 779 NE ARG A 51 -15.228 7.105 -1.860 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.160 5.942 -1.218 1.00 0.00 C ATOM 781 NH1 ARG A 51 -13.982 5.413 -0.909 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.274 5.304 -0.883 1.00 0.00 N ATOM 0 H ARG A 51 -11.487 10.413 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.137 10.521 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.489 10.673 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.995 10.194 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.390 8.626 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.798 8.250 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.335 8.554 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.296 7.206 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.151 7.478 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.122 5.899 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.937 4.521 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.182 5.705 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.223 4.412 -0.391 1.00 0.00 H new ATOM 796 N ASN A 52 -14.568 12.943 -3.043 1.00 0.00 N ATOM 797 CA ASN A 52 -14.799 14.383 -2.986 1.00 0.00 C ATOM 798 C ASN A 52 -13.601 15.148 -3.540 1.00 0.00 C ATOM 799 O ASN A 52 -13.406 16.324 -3.234 1.00 0.00 O ATOM 800 CB ASN A 52 -15.084 14.823 -1.547 1.00 0.00 C ATOM 801 CG ASN A 52 -16.115 13.943 -0.867 1.00 0.00 C ATOM 802 OD1 ASN A 52 -17.306 14.014 -1.170 1.00 0.00 O ATOM 803 ND2 ASN A 52 -15.661 13.107 0.060 1.00 0.00 N ATOM 0 H ASN A 52 -15.180 12.443 -3.687 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.668 14.610 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.157 14.802 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.435 15.855 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.308 12.491 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.665 13.081 0.280 1.00 0.00 H new ATOM 810 N GLY A 53 -12.800 14.470 -4.359 1.00 0.00 N ATOM 811 CA GLY A 53 -11.632 15.097 -4.948 1.00 0.00 C ATOM 812 C GLY A 53 -10.600 15.500 -3.914 1.00 0.00 C ATOM 813 O GLY A 53 -10.045 16.597 -3.979 1.00 0.00 O ATOM 0 H GLY A 53 -12.941 13.495 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.177 14.410 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.942 15.979 -5.509 1.00 0.00 H new ATOM 817 N ARG A 54 -10.337 14.613 -2.960 1.00 0.00 N ATOM 818 CA ARG A 54 -9.359 14.892 -1.916 1.00 0.00 C ATOM 819 C ARG A 54 -9.014 13.632 -1.128 1.00 0.00 C ATOM 820 O ARG A 54 -7.843 13.353 -0.871 1.00 0.00 O ATOM 821 CB ARG A 54 -9.888 15.976 -0.974 1.00 0.00 C ATOM 822 CG ARG A 54 -11.053 15.521 -0.109 1.00 0.00 C ATOM 823 CD ARG A 54 -11.714 16.695 0.596 1.00 0.00 C ATOM 824 NE ARG A 54 -10.734 17.600 1.193 1.00 0.00 N ATOM 825 CZ ARG A 54 -10.996 18.861 1.529 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.206 19.370 1.334 1.00 0.00 N ATOM 827 NH2 ARG A 54 -10.045 19.615 2.064 1.00 0.00 N ATOM 0 H ARG A 54 -10.785 13.699 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.447 15.248 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.076 16.311 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.201 16.837 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.788 15.006 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.700 14.803 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.329 17.246 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.382 16.322 1.372 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.793 17.244 1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.942 18.794 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.400 20.337 1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.114 19.228 2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.245 20.581 2.322 1.00 0.00 H new ATOM 841 N LYS A 55 -10.037 12.874 -0.746 1.00 0.00 N ATOM 842 CA LYS A 55 -9.832 11.645 0.011 1.00 0.00 C ATOM 843 C LYS A 55 -9.197 10.570 -0.868 1.00 0.00 C ATOM 844 O LYS A 55 -9.810 9.543 -1.156 1.00 0.00 O ATOM 845 CB LYS A 55 -11.161 11.144 0.581 1.00 0.00 C ATOM 846 CG LYS A 55 -11.046 10.590 1.993 1.00 0.00 C ATOM 847 CD LYS A 55 -10.754 11.690 3.000 1.00 0.00 C ATOM 848 CE LYS A 55 -9.896 11.183 4.148 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.048 12.020 5.369 1.00 0.00 N ATOM 0 H LYS A 55 -11.014 13.089 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.154 11.860 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.880 11.963 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.559 10.368 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.973 10.084 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.253 9.843 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.245 12.515 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.692 12.084 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.170 10.153 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.850 11.174 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.446 11.640 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.763 12.997 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.041 12.008 5.677 1.00 0.00 H new ATOM 863 N THR A 56 -7.962 10.820 -1.295 1.00 0.00 N ATOM 864 CA THR A 56 -7.241 9.882 -2.145 1.00 0.00 C ATOM 865 C THR A 56 -6.770 8.672 -1.349 1.00 0.00 C ATOM 866 O THR A 56 -6.247 8.807 -0.242 1.00 0.00 O ATOM 867 CB THR A 56 -6.049 10.577 -2.804 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.164 11.985 -2.697 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.898 10.241 -4.271 1.00 0.00 C ATOM 0 H THR A 56 -7.441 11.666 -1.065 1.00 0.00 H new ATOM 0 HA THR A 56 -7.923 9.533 -2.920 1.00 0.00 H new ATOM 0 HB THR A 56 -5.172 10.211 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.270 12.385 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.034 10.767 -4.678 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.756 9.166 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.795 10.548 -4.809 1.00 0.00 H new ATOM 877 N LEU A 57 -6.958 7.489 -1.920 1.00 0.00 N ATOM 878 CA LEU A 57 -6.554 6.250 -1.270 1.00 0.00 C ATOM 879 C LEU A 57 -6.010 5.258 -2.295 1.00 0.00 C ATOM 880 O LEU A 57 -6.758 4.731 -3.118 1.00 0.00 O ATOM 881 CB LEU A 57 -7.739 5.636 -0.523 1.00 0.00 C ATOM 882 CG LEU A 57 -7.738 5.859 0.990 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.157 5.784 1.536 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.840 4.842 1.679 1.00 0.00 C ATOM 0 H LEU A 57 -7.389 7.362 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.763 6.478 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.661 6.047 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.754 4.563 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.343 6.854 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.141 5.945 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.770 6.552 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.578 4.802 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.852 5.016 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.203 3.836 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.821 4.945 1.306 1.00 0.00 H new ATOM 896 N THR A 58 -4.706 5.009 -2.246 1.00 0.00 N ATOM 897 CA THR A 58 -4.068 4.083 -3.176 1.00 0.00 C ATOM 898 C THR A 58 -4.072 2.663 -2.621 1.00 0.00 C ATOM 899 O THR A 58 -3.493 2.397 -1.569 1.00 0.00 O ATOM 900 CB THR A 58 -2.632 4.524 -3.462 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.572 5.921 -3.687 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.024 3.838 -4.667 1.00 0.00 C ATOM 0 H THR A 58 -4.070 5.435 -1.572 1.00 0.00 H new ATOM 0 HA THR A 58 -4.638 4.093 -4.105 1.00 0.00 H new ATOM 0 HB THR A 58 -2.061 4.242 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.788 6.396 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.005 4.196 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.010 2.760 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.619 4.063 -5.552 1.00 0.00 H new ATOM 910 N THR A 59 -4.729 1.752 -3.332 1.00 0.00 N ATOM 911 CA THR A 59 -4.804 0.360 -2.897 1.00 0.00 C ATOM 912 C THR A 59 -3.817 -0.514 -3.664 1.00 0.00 C ATOM 913 O THR A 59 -3.333 -0.136 -4.731 1.00 0.00 O ATOM 914 CB THR A 59 -6.225 -0.180 -3.073 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.936 0.578 -4.035 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.031 -0.169 -1.792 1.00 0.00 C ATOM 0 H THR A 59 -5.215 1.950 -4.207 1.00 0.00 H new ATOM 0 HA THR A 59 -4.538 0.328 -1.840 1.00 0.00 H new ATOM 0 HB THR A 59 -6.103 -1.213 -3.398 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.841 0.215 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.028 -0.564 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.535 -0.788 -1.044 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.111 0.853 -1.422 1.00 0.00 H new ATOM 924 N VAL A 60 -3.528 -1.687 -3.110 1.00 0.00 N ATOM 925 CA VAL A 60 -2.603 -2.625 -3.735 1.00 0.00 C ATOM 926 C VAL A 60 -3.216 -4.018 -3.828 1.00 0.00 C ATOM 927 O VAL A 60 -3.519 -4.642 -2.810 1.00 0.00 O ATOM 928 CB VAL A 60 -1.277 -2.713 -2.957 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.287 -3.628 -3.667 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.686 -1.327 -2.766 1.00 0.00 C ATOM 0 H VAL A 60 -3.922 -2.011 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.402 -2.249 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.483 -3.141 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.641 -3.672 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.711 -4.629 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.082 -3.238 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.251 -1.404 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.498 -0.874 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.386 -0.707 -2.207 1.00 0.00 H new ATOM 940 N GLN A 61 -3.389 -4.499 -5.055 1.00 0.00 N ATOM 941 CA GLN A 61 -3.959 -5.823 -5.286 1.00 0.00 C ATOM 942 C GLN A 61 -2.937 -6.731 -5.960 1.00 0.00 C ATOM 943 O GLN A 61 -2.158 -6.287 -6.802 1.00 0.00 O ATOM 944 CB GLN A 61 -5.228 -5.739 -6.146 1.00 0.00 C ATOM 945 CG GLN A 61 -5.691 -4.319 -6.441 1.00 0.00 C ATOM 946 CD GLN A 61 -7.055 -4.269 -7.109 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.832 -3.344 -6.880 1.00 0.00 O ATOM 948 NE2 GLN A 61 -7.350 -5.261 -7.943 1.00 0.00 N ATOM 0 H GLN A 61 -3.143 -3.992 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.228 -6.243 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.048 -6.254 -7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.032 -6.273 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.727 -3.753 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.959 -3.830 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.676 -6.009 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.251 -5.274 -8.422 1.00 0.00 H new ATOM 957 N GLY A 62 -2.942 -8.002 -5.579 1.00 0.00 N ATOM 958 CA GLY A 62 -2.007 -8.951 -6.150 1.00 0.00 C ATOM 959 C GLY A 62 -1.005 -9.445 -5.128 1.00 0.00 C ATOM 960 O GLY A 62 -0.518 -10.572 -5.215 1.00 0.00 O ATOM 0 H GLY A 62 -3.578 -8.393 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.556 -9.799 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.478 -8.484 -6.980 1.00 0.00 H new ATOM 964 N ILE A 63 -0.700 -8.592 -4.157 1.00 0.00 N ATOM 965 CA ILE A 63 0.247 -8.931 -3.104 1.00 0.00 C ATOM 966 C ILE A 63 -0.198 -10.182 -2.351 1.00 0.00 C ATOM 967 O ILE A 63 -1.391 -10.415 -2.161 1.00 0.00 O ATOM 968 CB ILE A 63 0.422 -7.749 -2.122 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.072 -6.553 -2.833 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.245 -8.160 -0.910 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.192 -6.933 -3.778 1.00 0.00 C ATOM 0 H ILE A 63 -1.098 -7.656 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 63 1.209 -9.137 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.567 -7.452 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.306 -6.015 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.461 -5.865 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.352 -7.309 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.743 -8.975 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.231 -8.491 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.599 -6.034 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.979 -7.443 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.806 -7.596 -4.552 1.00 0.00 H new ATOM 983 N ALA A 64 0.775 -10.989 -1.938 1.00 0.00 N ATOM 984 CA ALA A 64 0.495 -12.225 -1.218 1.00 0.00 C ATOM 985 C ALA A 64 0.221 -11.964 0.257 1.00 0.00 C ATOM 986 O ALA A 64 0.914 -11.175 0.900 1.00 0.00 O ATOM 987 CB ALA A 64 1.656 -13.194 -1.376 1.00 0.00 C ATOM 0 H ALA A 64 1.767 -10.807 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.404 -12.668 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.438 -14.115 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.800 -13.420 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.563 -12.743 -0.974 1.00 0.00 H new ATOM 993 N ASP A 65 -0.789 -12.643 0.791 1.00 0.00 N ATOM 994 CA ASP A 65 -1.152 -12.497 2.195 1.00 0.00 C ATOM 995 C ASP A 65 -0.034 -13.009 3.100 1.00 0.00 C ATOM 996 O ASP A 65 0.007 -12.697 4.290 1.00 0.00 O ATOM 997 CB ASP A 65 -2.447 -13.258 2.492 1.00 0.00 C ATOM 998 CG ASP A 65 -3.542 -12.964 1.483 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.258 -13.004 0.268 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.684 -12.696 1.911 1.00 0.00 O ATOM 0 H ASP A 65 -1.371 -13.300 0.272 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.306 -11.437 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.242 -14.328 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.798 -12.995 3.490 1.00 0.00 H new ATOM 1005 N ASP A 66 0.876 -13.796 2.528 1.00 0.00 N ATOM 1006 CA ASP A 66 1.994 -14.348 3.282 1.00 0.00 C ATOM 1007 C ASP A 66 2.983 -13.254 3.670 1.00 0.00 C ATOM 1008 O ASP A 66 3.698 -13.375 4.665 1.00 0.00 O ATOM 1009 CB ASP A 66 2.704 -15.427 2.463 1.00 0.00 C ATOM 1010 CG ASP A 66 3.185 -16.582 3.319 1.00 0.00 C ATOM 1011 OD1 ASP A 66 4.325 -16.515 3.824 1.00 0.00 O ATOM 1012 OD2 ASP A 66 2.420 -17.557 3.484 1.00 0.00 O ATOM 0 H ASP A 66 0.859 -14.064 1.544 1.00 0.00 H new ATOM 0 HA ASP A 66 1.599 -14.795 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.025 -15.804 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.554 -14.984 1.944 1.00 0.00 H new ATOM 1017 N TYR A 67 3.019 -12.184 2.879 1.00 0.00 N ATOM 1018 CA TYR A 67 3.918 -11.066 3.137 1.00 0.00 C ATOM 1019 C TYR A 67 3.853 -10.635 4.598 1.00 0.00 C ATOM 1020 O TYR A 67 2.937 -11.013 5.327 1.00 0.00 O ATOM 1021 CB TYR A 67 3.550 -9.878 2.245 1.00 0.00 C ATOM 1022 CG TYR A 67 3.894 -10.055 0.781 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.165 -11.307 0.240 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.942 -8.957 -0.063 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.474 -11.454 -1.100 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.247 -9.092 -1.401 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.513 -10.343 -1.916 1.00 0.00 C ATOM 1028 OH TYR A 67 4.818 -10.484 -3.250 1.00 0.00 O ATOM 0 H TYR A 67 2.433 -12.069 2.052 1.00 0.00 H new ATOM 0 HA TYR A 67 4.933 -11.395 2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.479 -9.693 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.059 -8.989 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.134 -12.179 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.736 -7.975 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.684 -12.433 -1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.277 -8.223 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 67 5.453 -9.786 -3.516 1.00 0.00 H new ATOM 1038 N ASP A 68 4.823 -9.829 5.015 1.00 0.00 N ATOM 1039 CA ASP A 68 4.865 -9.334 6.383 1.00 0.00 C ATOM 1040 C ASP A 68 3.943 -8.130 6.534 1.00 0.00 C ATOM 1041 O ASP A 68 4.405 -6.998 6.685 1.00 0.00 O ATOM 1042 CB ASP A 68 6.297 -8.956 6.771 1.00 0.00 C ATOM 1043 CG ASP A 68 7.237 -10.144 6.741 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.760 -11.284 6.928 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.451 -9.936 6.532 1.00 0.00 O ATOM 0 H ASP A 68 5.589 -9.506 4.425 1.00 0.00 H new ATOM 0 HA ASP A 68 4.523 -10.125 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.664 -8.188 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.297 -8.522 7.771 1.00 0.00 H new ATOM 1050 N LYS A 69 2.635 -8.385 6.479 1.00 0.00 N ATOM 1051 CA LYS A 69 1.621 -7.332 6.595 1.00 0.00 C ATOM 1052 C LYS A 69 2.044 -6.241 7.575 1.00 0.00 C ATOM 1053 O LYS A 69 1.929 -5.050 7.281 1.00 0.00 O ATOM 1054 CB LYS A 69 0.288 -7.937 7.039 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.890 -6.986 6.895 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.215 -7.730 6.941 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.385 -8.491 8.246 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.783 -8.966 8.437 1.00 0.00 N ATOM 0 H LYS A 69 2.249 -9.321 6.354 1.00 0.00 H new ATOM 0 HA LYS A 69 1.509 -6.873 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.093 -8.835 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.368 -8.247 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.860 -6.244 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.808 -6.444 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.035 -7.022 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.272 -8.425 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.707 -9.345 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.104 -7.848 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.855 -9.480 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.428 -8.150 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.044 -9.600 7.655 1.00 0.00 H new ATOM 1072 N LYS A 70 2.538 -6.654 8.738 1.00 0.00 N ATOM 1073 CA LYS A 70 2.981 -5.710 9.757 1.00 0.00 C ATOM 1074 C LYS A 70 4.032 -4.758 9.196 1.00 0.00 C ATOM 1075 O LYS A 70 3.879 -3.539 9.266 1.00 0.00 O ATOM 1076 CB LYS A 70 3.547 -6.455 10.967 1.00 0.00 C ATOM 1077 CG LYS A 70 2.642 -7.560 11.487 1.00 0.00 C ATOM 1078 CD LYS A 70 1.239 -7.047 11.775 1.00 0.00 C ATOM 1079 CE LYS A 70 0.383 -8.107 12.450 1.00 0.00 C ATOM 1080 NZ LYS A 70 0.137 -7.792 13.884 1.00 0.00 N ATOM 0 H LYS A 70 2.641 -7.635 8.998 1.00 0.00 H new ATOM 0 HA LYS A 70 2.116 -5.126 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.512 -6.885 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.729 -5.740 11.769 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.592 -8.365 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.069 -7.983 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.297 -6.165 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.766 -6.736 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.570 -8.190 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.876 -9.076 12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.450 -8.539 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.045 -7.738 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.356 -6.879 13.959 1.00 0.00 H new ATOM 1094 N LYS A 71 5.098 -5.322 8.637 1.00 0.00 N ATOM 1095 CA LYS A 71 6.176 -4.522 8.062 1.00 0.00 C ATOM 1096 C LYS A 71 5.840 -4.073 6.638 1.00 0.00 C ATOM 1097 O LYS A 71 6.599 -3.326 6.022 1.00 0.00 O ATOM 1098 CB LYS A 71 7.483 -5.318 8.066 1.00 0.00 C ATOM 1099 CG LYS A 71 8.666 -4.541 8.619 1.00 0.00 C ATOM 1100 CD LYS A 71 8.605 -4.440 10.135 1.00 0.00 C ATOM 1101 CE LYS A 71 9.480 -5.490 10.798 1.00 0.00 C ATOM 1102 NZ LYS A 71 8.999 -5.833 12.166 1.00 0.00 N ATOM 0 H LYS A 71 5.239 -6.330 8.570 1.00 0.00 H new ATOM 0 HA LYS A 71 6.295 -3.630 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.345 -6.224 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.710 -5.633 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.594 -5.029 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.680 -3.541 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.926 -3.447 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.574 -4.561 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.496 -6.390 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.505 -5.124 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.623 -6.553 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.008 -4.980 12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.030 -6.206 12.110 1.00 0.00 H new ATOM 1116 N LEU A 72 4.704 -4.531 6.120 1.00 0.00 N ATOM 1117 CA LEU A 72 4.279 -4.171 4.771 1.00 0.00 C ATOM 1118 C LEU A 72 3.828 -2.715 4.718 1.00 0.00 C ATOM 1119 O LEU A 72 4.438 -1.891 4.037 1.00 0.00 O ATOM 1120 CB LEU A 72 3.143 -5.093 4.313 1.00 0.00 C ATOM 1121 CG LEU A 72 2.943 -5.183 2.797 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.794 -6.125 2.465 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.688 -3.802 2.213 1.00 0.00 C ATOM 0 H LEU A 72 4.062 -5.151 6.613 1.00 0.00 H new ATOM 0 HA LEU A 72 5.128 -4.292 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.333 -6.095 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.213 -4.749 4.766 1.00 0.00 H new ATOM 0 HG LEU A 72 3.854 -5.583 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.667 -6.176 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.015 -7.120 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.876 -5.754 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.548 -3.883 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.792 -3.376 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.541 -3.156 2.420 1.00 0.00 H new ATOM 1135 N VAL A 73 2.756 -2.404 5.437 1.00 0.00 N ATOM 1136 CA VAL A 73 2.222 -1.047 5.465 1.00 0.00 C ATOM 1137 C VAL A 73 2.972 -0.169 6.466 1.00 0.00 C ATOM 1138 O VAL A 73 3.174 1.022 6.228 1.00 0.00 O ATOM 1139 CB VAL A 73 0.720 -1.050 5.813 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.498 -1.465 7.261 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.103 0.312 5.537 1.00 0.00 C ATOM 0 H VAL A 73 2.239 -3.073 6.008 1.00 0.00 H new ATOM 0 HA VAL A 73 2.358 -0.632 4.466 1.00 0.00 H new ATOM 0 HB VAL A 73 0.225 -1.783 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.569 -1.459 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.895 -2.468 7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.009 -0.765 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.957 0.289 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.604 1.068 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.220 0.557 4.481 1.00 0.00 H new ATOM 1151 N LYS A 74 3.380 -0.760 7.585 1.00 0.00 N ATOM 1152 CA LYS A 74 4.107 -0.025 8.616 1.00 0.00 C ATOM 1153 C LYS A 74 5.314 0.694 8.023 1.00 0.00 C ATOM 1154 O LYS A 74 5.577 1.853 8.341 1.00 0.00 O ATOM 1155 CB LYS A 74 4.561 -0.973 9.726 1.00 0.00 C ATOM 1156 CG LYS A 74 5.276 -0.272 10.872 1.00 0.00 C ATOM 1157 CD LYS A 74 4.524 -0.433 12.183 1.00 0.00 C ATOM 1158 CE LYS A 74 5.206 0.324 13.311 1.00 0.00 C ATOM 1159 NZ LYS A 74 4.236 0.755 14.357 1.00 0.00 N ATOM 0 H LYS A 74 3.220 -1.744 7.801 1.00 0.00 H new ATOM 0 HA LYS A 74 3.432 0.720 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.692 -1.501 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.225 -1.725 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.282 -0.678 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.383 0.788 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.503 -0.071 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.459 -1.490 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.970 -0.309 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.715 1.198 12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.740 1.268 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.521 1.379 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.768 -0.081 14.762 1.00 0.00 H new ATOM 1173 N ALA A 75 6.042 -0.004 7.159 1.00 0.00 N ATOM 1174 CA ALA A 75 7.219 0.567 6.520 1.00 0.00 C ATOM 1175 C ALA A 75 6.837 1.740 5.625 1.00 0.00 C ATOM 1176 O ALA A 75 7.606 2.688 5.467 1.00 0.00 O ATOM 1177 CB ALA A 75 7.953 -0.497 5.717 1.00 0.00 C ATOM 0 H ALA A 75 5.837 -0.965 6.886 1.00 0.00 H new ATOM 0 HA ALA A 75 7.884 0.938 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.831 -0.056 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.265 -1.303 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.290 -0.895 4.949 1.00 0.00 H new ATOM 1183 N PHE A 76 5.641 1.673 5.044 1.00 0.00 N ATOM 1184 CA PHE A 76 5.161 2.736 4.170 1.00 0.00 C ATOM 1185 C PHE A 76 5.093 4.060 4.925 1.00 0.00 C ATOM 1186 O PHE A 76 5.482 5.106 4.405 1.00 0.00 O ATOM 1187 CB PHE A 76 3.784 2.388 3.602 1.00 0.00 C ATOM 1188 CG PHE A 76 3.502 3.064 2.291 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.860 2.462 1.095 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.889 4.306 2.255 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.612 3.085 -0.111 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.637 4.934 1.050 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.001 4.323 -0.134 1.00 0.00 C ATOM 0 H PHE A 76 4.990 0.896 5.163 1.00 0.00 H new ATOM 0 HA PHE A 76 5.864 2.838 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.714 1.308 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.017 2.672 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.339 1.494 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.605 4.789 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.895 2.605 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.156 5.901 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.808 4.813 -1.077 1.00 0.00 H new ATOM 1203 N LYS A 77 4.598 4.005 6.158 1.00 0.00 N ATOM 1204 CA LYS A 77 4.482 5.198 6.991 1.00 0.00 C ATOM 1205 C LYS A 77 5.851 5.662 7.488 1.00 0.00 C ATOM 1206 O LYS A 77 5.975 6.739 8.070 1.00 0.00 O ATOM 1207 CB LYS A 77 3.563 4.926 8.181 1.00 0.00 C ATOM 1208 CG LYS A 77 2.193 4.397 7.783 1.00 0.00 C ATOM 1209 CD LYS A 77 1.999 2.955 8.227 1.00 0.00 C ATOM 1210 CE LYS A 77 1.440 2.877 9.638 1.00 0.00 C ATOM 1211 NZ LYS A 77 2.505 2.611 10.644 1.00 0.00 N ATOM 0 H LYS A 77 4.271 3.147 6.603 1.00 0.00 H new ATOM 0 HA LYS A 77 4.053 5.992 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.043 4.206 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.437 5.847 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.418 5.022 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.077 4.464 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.323 2.449 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.952 2.428 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.937 3.813 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.689 2.089 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.394 1.648 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.438 2.701 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.428 3.298 11.421 1.00 0.00 H new ATOM 1225 N LYS A 78 6.876 4.847 7.257 1.00 0.00 N ATOM 1226 CA LYS A 78 8.229 5.183 7.682 1.00 0.00 C ATOM 1227 C LYS A 78 9.077 5.644 6.499 1.00 0.00 C ATOM 1228 O LYS A 78 10.107 6.293 6.677 1.00 0.00 O ATOM 1229 CB LYS A 78 8.888 3.977 8.352 1.00 0.00 C ATOM 1230 CG LYS A 78 10.133 4.328 9.151 1.00 0.00 C ATOM 1231 CD LYS A 78 10.822 3.082 9.687 1.00 0.00 C ATOM 1232 CE LYS A 78 12.098 2.774 8.919 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.829 1.968 7.697 1.00 0.00 N ATOM 0 H LYS A 78 6.795 3.950 6.778 1.00 0.00 H new ATOM 0 HA LYS A 78 8.163 6.002 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.165 3.500 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.152 3.246 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.826 4.885 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.862 4.980 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.056 3.221 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.142 2.232 9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.587 3.707 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.789 2.234 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.724 1.779 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.385 1.067 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.189 2.494 7.068 1.00 0.00 H new ATOM 1247 N LYS A 79 8.641 5.298 5.290 1.00 0.00 N ATOM 1248 CA LYS A 79 9.365 5.669 4.080 1.00 0.00 C ATOM 1249 C LYS A 79 8.780 6.929 3.447 1.00 0.00 C ATOM 1250 O LYS A 79 9.517 7.811 3.006 1.00 0.00 O ATOM 1251 CB LYS A 79 9.331 4.519 3.072 1.00 0.00 C ATOM 1252 CG LYS A 79 10.513 4.512 2.116 1.00 0.00 C ATOM 1253 CD LYS A 79 10.060 4.551 0.665 1.00 0.00 C ATOM 1254 CE LYS A 79 11.242 4.627 -0.286 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.639 6.035 -0.567 1.00 0.00 N ATOM 0 H LYS A 79 7.790 4.761 5.124 1.00 0.00 H new ATOM 0 HA LYS A 79 10.398 5.876 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.307 3.573 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.408 4.580 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.153 5.370 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.114 3.619 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.470 3.662 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.410 5.412 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.088 4.090 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.988 4.128 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.449 6.044 -1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.840 6.541 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.906 6.504 0.322 1.00 0.00 H new ATOM 1269 N PHE A 80 7.454 7.005 3.396 1.00 0.00 N ATOM 1270 CA PHE A 80 6.777 8.155 2.804 1.00 0.00 C ATOM 1271 C PHE A 80 6.039 8.978 3.859 1.00 0.00 C ATOM 1272 O PHE A 80 5.653 10.119 3.605 1.00 0.00 O ATOM 1273 CB PHE A 80 5.791 7.696 1.727 1.00 0.00 C ATOM 1274 CG PHE A 80 6.306 6.569 0.878 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.148 5.253 1.281 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.946 6.827 -0.323 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.618 4.213 0.503 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.420 5.792 -1.107 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.255 4.484 -0.694 1.00 0.00 C ATOM 0 H PHE A 80 6.827 6.286 3.757 1.00 0.00 H new ATOM 0 HA PHE A 80 7.541 8.787 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.863 7.384 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.549 8.542 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.651 5.038 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.076 7.848 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.488 3.191 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.919 6.005 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.623 3.674 -1.306 1.00 0.00 H new ATOM 1289 N ALA A 81 5.839 8.396 5.038 1.00 0.00 N ATOM 1290 CA ALA A 81 5.138 9.084 6.118 1.00 0.00 C ATOM 1291 C ALA A 81 3.667 9.277 5.772 1.00 0.00 C ATOM 1292 O ALA A 81 3.072 10.308 6.089 1.00 0.00 O ATOM 1293 CB ALA A 81 5.796 10.426 6.412 1.00 0.00 C ATOM 0 H ALA A 81 6.151 7.453 5.270 1.00 0.00 H new ATOM 0 HA ALA A 81 5.200 8.464 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.260 10.925 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.832 10.266 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.767 11.049 5.518 1.00 0.00 H new ATOM 1299 N CYS A 82 3.085 8.278 5.116 1.00 0.00 N ATOM 1300 CA CYS A 82 1.682 8.333 4.724 1.00 0.00 C ATOM 1301 C CYS A 82 0.844 7.374 5.562 1.00 0.00 C ATOM 1302 O CYS A 82 1.381 6.541 6.293 1.00 0.00 O ATOM 1303 CB CYS A 82 1.533 7.994 3.240 1.00 0.00 C ATOM 1304 SG CYS A 82 1.708 9.416 2.137 1.00 0.00 S ATOM 0 H CYS A 82 3.565 7.420 4.845 1.00 0.00 H new ATOM 0 HA CYS A 82 1.322 9.347 4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.279 7.246 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.555 7.540 3.078 1.00 0.00 H new ATOM 0 HG CYS A 82 0.709 9.445 1.305 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.474 7.496 5.452 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.385 6.639 6.199 1.00 0.00 C ATOM 1312 C ASN A 83 -1.759 5.408 5.384 1.00 0.00 C ATOM 1313 O ASN A 83 -2.471 5.504 4.385 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.646 7.415 6.586 1.00 0.00 C ATOM 1315 CG ASN A 83 -2.472 8.181 7.881 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -2.740 9.381 7.947 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.020 7.489 8.920 1.00 0.00 N ATOM 0 H ASN A 83 -0.935 8.180 4.852 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.878 6.311 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.902 8.110 5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.481 6.722 6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.882 7.951 9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.811 6.496 8.819 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.271 4.250 5.816 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.562 3.015 5.114 1.00 0.00 C ATOM 1326 C GLY A 84 -2.352 2.035 5.956 1.00 0.00 C ATOM 1327 O GLY A 84 -2.097 1.887 7.152 1.00 0.00 O ATOM 0 H GLY A 84 -0.679 4.145 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.122 3.241 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.627 2.549 4.804 1.00 0.00 H new ATOM 1331 N THR A 85 -3.313 1.363 5.330 1.00 0.00 N ATOM 1332 CA THR A 85 -4.146 0.390 6.030 1.00 0.00 C ATOM 1333 C THR A 85 -4.307 -0.883 5.204 1.00 0.00 C ATOM 1334 O THR A 85 -3.949 -0.920 4.029 1.00 0.00 O ATOM 1335 CB THR A 85 -5.519 0.988 6.335 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.265 1.167 5.144 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.447 2.329 7.035 1.00 0.00 C ATOM 0 H THR A 85 -3.534 1.474 4.341 1.00 0.00 H new ATOM 0 HA THR A 85 -3.652 0.135 6.967 1.00 0.00 H new ATOM 0 HB THR A 85 -6.002 0.273 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.141 1.549 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.456 2.697 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.921 2.217 7.983 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.913 3.040 6.405 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.846 -1.926 5.828 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.054 -3.200 5.148 1.00 0.00 C ATOM 1347 C VAL A 86 -6.539 -3.555 5.094 1.00 0.00 C ATOM 1348 O VAL A 86 -7.182 -3.726 6.130 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.285 -4.338 5.846 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.801 -4.550 7.262 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.379 -5.623 5.037 1.00 0.00 C ATOM 0 H VAL A 86 -5.146 -1.914 6.803 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.674 -3.088 4.132 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.235 -4.052 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.243 -5.358 7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.671 -3.634 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.859 -4.810 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.830 -6.415 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.425 -5.914 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.950 -5.462 4.048 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.077 -3.662 3.883 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.487 -3.995 3.701 1.00 0.00 C ATOM 1363 C ILE A 87 -8.656 -5.222 2.813 1.00 0.00 C ATOM 1364 O ILE A 87 -7.858 -5.461 1.908 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.267 -2.822 3.076 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.568 -2.334 1.806 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.417 -1.687 4.077 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.277 -1.179 1.132 1.00 0.00 C ATOM 0 H ILE A 87 -6.560 -3.523 3.015 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.887 -4.206 4.693 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.263 -3.173 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.551 -2.030 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.490 -3.163 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.970 -0.868 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.958 -2.044 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.430 -1.335 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.726 -0.885 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.285 -1.484 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.331 -0.335 1.819 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.706 -5.994 3.073 1.00 0.00 N ATOM 1381 CA GLU A 88 -9.986 -7.189 2.292 1.00 0.00 C ATOM 1382 C GLU A 88 -11.118 -6.933 1.303 1.00 0.00 C ATOM 1383 O GLU A 88 -12.245 -7.389 1.498 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.349 -8.356 3.209 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.126 -9.715 2.569 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.682 -10.852 3.403 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -10.369 -10.909 4.611 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -11.431 -11.685 2.850 1.00 0.00 O ATOM 0 H GLU A 88 -10.376 -5.811 3.820 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.086 -7.447 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.756 -8.290 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.395 -8.267 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.593 -9.730 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.058 -9.870 2.417 1.00 0.00 H new ATOM 1395 N HIS A 89 -10.809 -6.195 0.245 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.795 -5.869 -0.777 1.00 0.00 C ATOM 1397 C HIS A 89 -12.356 -7.136 -1.421 1.00 0.00 C ATOM 1398 O HIS A 89 -11.614 -8.073 -1.711 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.165 -4.977 -1.845 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.124 -4.004 -2.455 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.662 -4.167 -3.714 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.645 -2.851 -1.972 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.471 -3.158 -3.981 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.479 -2.346 -2.938 1.00 0.00 N ATOM 0 H HIS A 89 -9.881 -5.810 0.072 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.617 -5.335 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.334 -4.427 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.748 -5.606 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.442 -2.411 -1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.030 -3.020 -4.895 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.018 -1.483 -2.863 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.680 -7.182 -1.658 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.331 -8.339 -2.273 1.00 0.00 C ATOM 1415 C PRO A 90 -14.158 -8.362 -3.790 1.00 0.00 C ATOM 1416 O PRO A 90 -14.305 -9.406 -4.425 1.00 0.00 O ATOM 1417 CB PRO A 90 -15.799 -8.138 -1.906 1.00 0.00 C ATOM 1418 CG PRO A 90 -15.965 -6.660 -1.830 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.646 -6.108 -1.347 1.00 0.00 C ATOM 0 HA PRO A 90 -13.911 -9.283 -1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.459 -8.574 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.039 -8.614 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.225 -6.248 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.771 -6.394 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.390 -5.179 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.671 -5.889 -0.280 1.00 0.00 H new ATOM 1427 N GLU A 91 -13.845 -7.204 -4.361 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.652 -7.084 -5.801 1.00 0.00 C ATOM 1429 C GLU A 91 -12.266 -7.577 -6.211 1.00 0.00 C ATOM 1430 O GLU A 91 -12.049 -7.961 -7.361 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.841 -5.630 -6.237 1.00 0.00 C ATOM 1432 CG GLU A 91 -14.802 -5.460 -7.400 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.129 -5.651 -8.745 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -13.538 -6.730 -8.965 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.192 -4.723 -9.578 1.00 0.00 O ATOM 0 H GLU A 91 -13.719 -6.332 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.396 -7.707 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.205 -5.050 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.872 -5.215 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.617 -6.177 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.245 -4.465 -7.358 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.329 -7.557 -5.266 1.00 0.00 N ATOM 1443 CA TYR A 92 -9.963 -7.996 -5.534 1.00 0.00 C ATOM 1444 C TYR A 92 -9.543 -9.095 -4.564 1.00 0.00 C ATOM 1445 O TYR A 92 -9.049 -10.146 -4.975 1.00 0.00 O ATOM 1446 CB TYR A 92 -8.995 -6.813 -5.436 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.614 -5.489 -5.830 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.298 -5.352 -7.030 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.517 -4.380 -4.998 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.868 -4.147 -7.393 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.086 -3.172 -5.353 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.760 -3.060 -6.551 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.328 -1.859 -6.908 1.00 0.00 O ATOM 0 H TYR A 92 -11.491 -7.242 -4.309 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.930 -8.400 -6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.624 -6.741 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.133 -7.006 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.386 -6.202 -7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.989 -4.464 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.395 -4.057 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.003 -2.319 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.162 -1.197 -6.205 1.00 0.00 H new ATOM 1463 N GLY A 93 -9.745 -8.847 -3.274 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.384 -9.827 -2.265 1.00 0.00 C ATOM 1465 C GLY A 93 -8.083 -9.492 -1.564 1.00 0.00 C ATOM 1466 O GLY A 93 -7.004 -9.633 -2.140 1.00 0.00 O ATOM 0 H GLY A 93 -10.152 -7.986 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.183 -9.894 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.298 -10.808 -2.732 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.185 -9.047 -0.315 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.008 -8.692 0.473 1.00 0.00 C ATOM 1472 C GLU A 94 -6.150 -7.659 -0.251 1.00 0.00 C ATOM 1473 O GLU A 94 -5.178 -8.006 -0.920 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.176 -9.938 0.775 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.506 -9.904 2.140 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.008 -9.685 2.048 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -3.396 -10.166 1.072 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.447 -9.032 2.954 1.00 0.00 O ATOM 0 H GLU A 94 -9.072 -8.923 0.174 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.353 -8.255 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.818 -10.817 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.411 -10.050 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.950 -9.109 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.701 -10.842 2.660 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.515 -6.389 -0.109 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.774 -5.308 -0.747 1.00 0.00 C ATOM 1487 C VAL A 95 -5.477 -4.188 0.245 1.00 0.00 C ATOM 1488 O VAL A 95 -6.365 -3.727 0.960 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.544 -4.726 -1.949 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.813 -5.807 -2.985 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.845 -4.079 -1.496 1.00 0.00 C ATOM 0 H VAL A 95 -7.318 -6.084 0.441 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.836 -5.735 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.926 -3.956 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.357 -5.378 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.866 -6.217 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.408 -6.602 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.371 -3.675 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.471 -4.825 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.626 -3.273 -0.796 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.224 -3.749 0.279 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.819 -2.677 1.178 1.00 0.00 C ATOM 1503 C ILE A 96 -4.418 -1.353 0.717 1.00 0.00 C ATOM 1504 O ILE A 96 -4.783 -1.204 -0.447 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.275 -2.577 1.264 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.743 -3.645 2.233 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.821 -1.180 1.684 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.371 -3.117 3.603 1.00 0.00 C ATOM 0 H ILE A 96 -3.473 -4.118 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.195 -2.904 2.176 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.863 -2.758 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.499 -4.422 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.867 -4.117 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.732 -1.151 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.171 -0.449 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.235 -0.942 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.006 -3.937 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.591 -2.362 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.248 -2.672 4.072 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.531 -0.399 1.636 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.101 0.902 1.311 1.00 0.00 C ATOM 1522 C GLN A 97 -4.236 2.038 1.849 1.00 0.00 C ATOM 1523 O GLN A 97 -4.228 2.311 3.050 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.518 1.017 1.875 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.515 1.626 0.902 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.637 2.364 1.606 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -8.649 2.476 2.832 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.588 2.872 0.830 1.00 0.00 N ATOM 0 H GLN A 97 -4.237 -0.502 2.607 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.137 0.986 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.866 0.025 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.491 1.623 2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.994 2.314 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.938 0.838 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.537 2.755 -0.182 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.369 3.379 1.246 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.523 2.704 0.951 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.668 3.821 1.325 1.00 0.00 C ATOM 1539 C LEU A 98 -3.436 5.129 1.214 1.00 0.00 C ATOM 1540 O LEU A 98 -4.421 5.216 0.483 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.432 3.871 0.432 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.576 2.606 0.444 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.166 2.452 -0.875 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.399 2.641 1.612 1.00 0.00 C ATOM 0 H LEU A 98 -3.520 2.488 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.350 3.679 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.750 4.067 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.813 4.714 0.741 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.230 1.743 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.771 1.546 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.553 2.385 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.813 3.315 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.003 1.734 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.050 3.510 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.156 2.704 2.548 1.00 0.00 H new ATOM 1556 N GLN A 99 -2.986 6.143 1.940 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.642 7.445 1.913 1.00 0.00 C ATOM 1558 C GLN A 99 -2.946 8.382 0.931 1.00 0.00 C ATOM 1559 O GLN A 99 -1.721 8.373 0.812 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.655 8.064 3.312 1.00 0.00 C ATOM 1561 CG GLN A 99 -4.921 7.763 4.098 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.838 8.965 4.209 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -6.067 9.487 5.299 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.370 9.409 3.076 1.00 0.00 N ATOM 0 H GLN A 99 -2.172 6.091 2.553 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.670 7.301 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.794 7.697 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.540 9.144 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.457 6.945 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.651 7.423 5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.152 8.945 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.996 10.214 3.088 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.738 9.183 0.227 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.180 10.109 -0.740 1.00 0.00 C ATOM 1575 C GLY A 100 -2.839 9.428 -2.051 1.00 0.00 C ATOM 1576 O GLY A 100 -2.962 8.210 -2.171 1.00 0.00 O ATOM 0 H GLY A 100 -4.754 9.208 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.893 10.913 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.282 10.568 -0.326 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.409 10.210 -3.033 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.048 9.661 -4.335 1.00 0.00 C ATOM 1582 C ASP A 101 -0.670 9.011 -4.284 1.00 0.00 C ATOM 1583 O ASP A 101 0.343 9.649 -4.573 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.077 10.753 -5.406 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.255 11.966 -5.017 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -1.774 12.821 -4.269 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.092 12.063 -5.463 1.00 0.00 O ATOM 0 H ASP A 101 -2.302 11.221 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.781 8.897 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.700 10.348 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.109 11.058 -5.582 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.641 7.736 -3.911 1.00 0.00 N ATOM 1593 CA GLN A 102 0.605 6.988 -3.815 1.00 0.00 C ATOM 1594 C GLN A 102 0.788 6.070 -5.021 1.00 0.00 C ATOM 1595 O GLN A 102 1.645 5.189 -5.012 1.00 0.00 O ATOM 1596 CB GLN A 102 0.621 6.160 -2.527 1.00 0.00 C ATOM 1597 CG GLN A 102 1.354 6.827 -1.373 1.00 0.00 C ATOM 1598 CD GLN A 102 1.048 8.309 -1.255 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.219 8.665 -1.416 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.943 9.122 -1.021 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.473 7.197 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 102 1.429 7.702 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.406 5.959 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.088 5.196 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.083 6.330 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.428 6.692 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.905 8.802 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.723 10.115 -0.944 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.021 6.280 -6.056 1.00 0.00 N ATOM 1610 CA ARG A 103 0.058 5.468 -7.265 1.00 0.00 C ATOM 1611 C ARG A 103 1.487 5.420 -7.801 1.00 0.00 C ATOM 1612 O ARG A 103 1.872 4.474 -8.487 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.884 6.021 -8.335 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.560 7.445 -8.755 1.00 0.00 C ATOM 1615 CD ARG A 103 -1.253 7.813 -10.057 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.679 9.209 -10.076 1.00 0.00 N ATOM 1617 CZ ARG A 103 -0.855 10.233 -10.285 1.00 0.00 C ATOM 1618 NH1 ARG A 103 0.439 10.021 -10.490 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -1.325 11.473 -10.290 1.00 0.00 N ATOM 0 H ARG A 103 -0.738 7.005 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.246 4.453 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.844 5.375 -9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.907 5.986 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.868 8.136 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.518 7.555 -8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.577 7.629 -10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.120 7.168 -10.201 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.666 9.412 -9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.807 9.070 -10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.066 10.810 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.319 11.642 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.693 12.257 -10.450 1.00 0.00 H new ATOM 1633 N LYS A 104 2.268 6.447 -7.478 1.00 0.00 N ATOM 1634 CA LYS A 104 3.655 6.522 -7.922 1.00 0.00 C ATOM 1635 C LYS A 104 4.614 6.176 -6.785 1.00 0.00 C ATOM 1636 O LYS A 104 5.767 5.818 -7.024 1.00 0.00 O ATOM 1637 CB LYS A 104 3.963 7.925 -8.451 1.00 0.00 C ATOM 1638 CG LYS A 104 5.379 8.079 -8.983 1.00 0.00 C ATOM 1639 CD LYS A 104 6.183 9.071 -8.159 1.00 0.00 C ATOM 1640 CE LYS A 104 5.652 10.488 -8.316 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.536 11.321 -9.178 1.00 0.00 N ATOM 0 H LYS A 104 1.963 7.238 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 104 3.794 5.795 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.257 8.167 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.804 8.649 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.878 7.110 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.344 8.411 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.150 8.784 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.228 9.037 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.651 10.455 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.561 10.952 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.139 12.279 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.484 11.374 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.603 10.892 -10.123 1.00 0.00 H new ATOM 1655 N ASN A 105 4.134 6.287 -5.548 1.00 0.00 N ATOM 1656 CA ASN A 105 4.958 5.987 -4.380 1.00 0.00 C ATOM 1657 C ASN A 105 4.878 4.508 -4.012 1.00 0.00 C ATOM 1658 O ASN A 105 5.856 3.923 -3.545 1.00 0.00 O ATOM 1659 CB ASN A 105 4.519 6.840 -3.187 1.00 0.00 C ATOM 1660 CG ASN A 105 5.144 8.221 -3.202 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.348 8.374 -2.997 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.324 9.239 -3.444 1.00 0.00 N ATOM 0 H ASN A 105 3.182 6.581 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 105 5.992 6.223 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.433 6.936 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.790 6.332 -2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.687 10.192 -3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.332 9.067 -3.609 1.00 0.00 H new ATOM 1669 N ILE A 106 3.710 3.912 -4.216 1.00 0.00 N ATOM 1670 CA ILE A 106 3.510 2.505 -3.896 1.00 0.00 C ATOM 1671 C ILE A 106 4.379 1.607 -4.772 1.00 0.00 C ATOM 1672 O ILE A 106 5.094 0.744 -4.266 1.00 0.00 O ATOM 1673 CB ILE A 106 2.033 2.097 -4.035 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.828 0.670 -3.527 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.573 2.227 -5.479 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.290 0.465 -2.098 1.00 0.00 C ATOM 0 H ILE A 106 2.889 4.380 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 106 3.808 2.373 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 106 1.429 2.770 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.771 0.416 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.366 -0.020 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.526 1.934 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.685 3.261 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.178 1.579 -6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.114 -0.570 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.354 0.688 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.734 1.130 -1.437 1.00 0.00 H new ATOM 1688 N CYS A 107 4.335 1.824 -6.086 1.00 0.00 N ATOM 1689 CA CYS A 107 5.146 1.035 -7.008 1.00 0.00 C ATOM 1690 C CYS A 107 6.605 1.087 -6.571 1.00 0.00 C ATOM 1691 O CYS A 107 7.353 0.119 -6.713 1.00 0.00 O ATOM 1692 CB CYS A 107 5.006 1.569 -8.435 1.00 0.00 C ATOM 1693 SG CYS A 107 5.160 3.365 -8.570 1.00 0.00 S ATOM 0 H CYS A 107 3.752 2.533 -6.531 1.00 0.00 H new ATOM 0 HA CYS A 107 4.799 0.002 -6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.765 1.102 -9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 107 4.036 1.268 -8.831 1.00 0.00 H new ATOM 0 HG CYS A 107 5.433 3.866 -7.402 1.00 0.00 H new ATOM 1699 N GLN A 108 6.983 2.230 -6.010 1.00 0.00 N ATOM 1700 CA GLN A 108 8.338 2.435 -5.514 1.00 0.00 C ATOM 1701 C GLN A 108 8.577 1.574 -4.285 1.00 0.00 C ATOM 1702 O GLN A 108 9.595 0.894 -4.172 1.00 0.00 O ATOM 1703 CB GLN A 108 8.550 3.906 -5.150 1.00 0.00 C ATOM 1704 CG GLN A 108 9.048 4.759 -6.301 1.00 0.00 C ATOM 1705 CD GLN A 108 10.560 4.895 -6.314 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.255 3.818 -5.961 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 11.096 5.954 -6.637 1.00 0.00 N flip ATOM 0 H GLN A 108 6.366 3.033 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 108 9.041 2.153 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.609 4.319 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.265 3.968 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.718 4.321 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.598 5.750 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.523 6.756 -6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.113 6.030 -6.641 1.00 0.00 H new ATOM 1716 N PHE A 109 7.620 1.618 -3.367 1.00 0.00 N ATOM 1717 CA PHE A 109 7.696 0.855 -2.132 1.00 0.00 C ATOM 1718 C PHE A 109 7.805 -0.638 -2.413 1.00 0.00 C ATOM 1719 O PHE A 109 8.687 -1.315 -1.886 1.00 0.00 O ATOM 1720 CB PHE A 109 6.458 1.135 -1.282 1.00 0.00 C ATOM 1721 CG PHE A 109 6.509 0.516 0.082 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.412 0.969 1.029 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.647 -0.513 0.419 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.456 0.405 2.288 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.685 -1.080 1.676 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.590 -0.620 2.612 1.00 0.00 C ATOM 0 H PHE A 109 6.774 2.181 -3.458 1.00 0.00 H new ATOM 0 HA PHE A 109 8.591 1.163 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.337 2.213 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.577 0.765 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.089 1.772 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.937 -0.876 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.166 0.765 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.008 -1.883 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.620 -1.062 3.597 1.00 0.00 H new ATOM 1736 N LEU A 110 6.902 -1.143 -3.244 1.00 0.00 N ATOM 1737 CA LEU A 110 6.889 -2.557 -3.596 1.00 0.00 C ATOM 1738 C LEU A 110 8.236 -2.990 -4.162 1.00 0.00 C ATOM 1739 O LEU A 110 8.636 -4.146 -4.026 1.00 0.00 O ATOM 1740 CB LEU A 110 5.781 -2.835 -4.614 1.00 0.00 C ATOM 1741 CG LEU A 110 4.407 -3.152 -4.015 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.087 -2.207 -2.865 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.330 -3.069 -5.087 1.00 0.00 C ATOM 0 H LEU A 110 6.167 -0.592 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 110 6.697 -3.132 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.683 -1.967 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.088 -3.672 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 110 4.431 -4.169 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.107 -2.451 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.842 -2.313 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.083 -1.180 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.360 -3.297 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.311 -2.063 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.547 -3.788 -5.877 1.00 0.00 H new ATOM 1755 N VAL A 111 8.931 -2.053 -4.796 1.00 0.00 N ATOM 1756 CA VAL A 111 10.234 -2.336 -5.383 1.00 0.00 C ATOM 1757 C VAL A 111 11.365 -1.984 -4.418 1.00 0.00 C ATOM 1758 O VAL A 111 12.462 -2.534 -4.508 1.00 0.00 O ATOM 1759 CB VAL A 111 10.430 -1.554 -6.696 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.789 -1.856 -7.310 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.312 -1.872 -7.678 1.00 0.00 C ATOM 0 H VAL A 111 8.614 -1.091 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 111 10.265 -3.405 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 111 10.394 -0.489 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.903 -1.292 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.575 -1.570 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.863 -2.922 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.467 -1.311 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.314 -2.939 -7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.353 -1.594 -7.240 1.00 0.00 H new ATOM 1771 N GLU A 112 11.092 -1.061 -3.500 1.00 0.00 N ATOM 1772 CA GLU A 112 12.090 -0.634 -2.526 1.00 0.00 C ATOM 1773 C GLU A 112 12.225 -1.650 -1.396 1.00 0.00 C ATOM 1774 O GLU A 112 13.334 -1.957 -0.957 1.00 0.00 O ATOM 1775 CB GLU A 112 11.720 0.736 -1.956 1.00 0.00 C ATOM 1776 CG GLU A 112 11.859 1.871 -2.961 1.00 0.00 C ATOM 1777 CD GLU A 112 12.905 2.890 -2.551 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.901 2.493 -1.910 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.728 4.084 -2.871 1.00 0.00 O ATOM 0 H GLU A 112 10.189 -0.595 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 112 13.050 -0.562 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.692 0.705 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.354 0.945 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.122 1.458 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.897 2.370 -3.075 1.00 0.00 H new ATOM 1786 N ILE A 113 11.095 -2.167 -0.924 1.00 0.00 N ATOM 1787 CA ILE A 113 11.100 -3.145 0.158 1.00 0.00 C ATOM 1788 C ILE A 113 11.217 -4.569 -0.381 1.00 0.00 C ATOM 1789 O ILE A 113 11.625 -5.482 0.337 1.00 0.00 O ATOM 1790 CB ILE A 113 9.826 -3.033 1.028 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.610 -3.612 0.295 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.575 -1.582 1.410 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.326 -3.532 1.093 1.00 0.00 C ATOM 0 H ILE A 113 10.167 -1.926 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 113 11.971 -2.925 0.776 1.00 0.00 H new ATOM 0 HB ILE A 113 9.981 -3.613 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.476 -3.079 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.809 -4.654 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.675 -1.517 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.426 -1.202 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.443 -0.986 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.509 -3.960 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.440 -4.089 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.103 -2.489 1.320 1.00 0.00 H new ATOM 1805 N GLY A 114 10.846 -4.753 -1.644 1.00 0.00 N ATOM 1806 CA GLY A 114 10.906 -6.070 -2.248 1.00 0.00 C ATOM 1807 C GLY A 114 9.586 -6.803 -2.127 1.00 0.00 C ATOM 1808 O GLY A 114 9.555 -8.020 -1.947 1.00 0.00 O ATOM 0 H GLY A 114 10.505 -4.014 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.175 -5.976 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.692 -6.654 -1.769 1.00 0.00 H new ATOM 1812 N LEU A 115 8.494 -6.053 -2.221 1.00 0.00 N ATOM 1813 CA LEU A 115 7.156 -6.624 -2.116 1.00 0.00 C ATOM 1814 C LEU A 115 6.692 -7.168 -3.463 1.00 0.00 C ATOM 1815 O LEU A 115 6.612 -8.381 -3.659 1.00 0.00 O ATOM 1816 CB LEU A 115 6.174 -5.566 -1.603 1.00 0.00 C ATOM 1817 CG LEU A 115 5.184 -6.048 -0.541 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.901 -6.810 0.565 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.411 -4.873 0.035 1.00 0.00 C ATOM 0 H LEU A 115 8.509 -5.044 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 115 7.188 -7.452 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.745 -4.734 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.610 -5.177 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 115 4.478 -6.729 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.175 -7.142 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.408 -7.676 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.634 -6.158 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.711 -5.233 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.106 -4.169 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.861 -4.374 -0.762 1.00 0.00 H new ATOM 1831 N ALA A 116 6.395 -6.265 -4.392 1.00 0.00 N ATOM 1832 CA ALA A 116 5.949 -6.658 -5.722 1.00 0.00 C ATOM 1833 C ALA A 116 7.140 -6.809 -6.663 1.00 0.00 C ATOM 1834 O ALA A 116 8.286 -6.878 -6.220 1.00 0.00 O ATOM 1835 CB ALA A 116 4.962 -5.640 -6.274 1.00 0.00 C ATOM 0 H ALA A 116 6.455 -5.257 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 116 5.446 -7.622 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.639 -5.949 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.097 -5.577 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.443 -4.664 -6.336 1.00 0.00 H new ATOM 1841 N LYS A 117 6.867 -6.848 -7.964 1.00 0.00 N ATOM 1842 CA LYS A 117 7.923 -6.978 -8.960 1.00 0.00 C ATOM 1843 C LYS A 117 7.822 -5.865 -9.996 1.00 0.00 C ATOM 1844 O LYS A 117 6.739 -5.337 -10.250 1.00 0.00 O ATOM 1845 CB LYS A 117 7.851 -8.342 -9.645 1.00 0.00 C ATOM 1846 CG LYS A 117 9.134 -9.148 -9.524 1.00 0.00 C ATOM 1847 CD LYS A 117 9.546 -9.333 -8.071 1.00 0.00 C ATOM 1848 CE LYS A 117 10.947 -8.797 -7.817 1.00 0.00 C ATOM 1849 NZ LYS A 117 11.513 -9.307 -6.536 1.00 0.00 N ATOM 0 H LYS A 117 5.925 -6.791 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 117 8.883 -6.894 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.030 -8.914 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.619 -8.198 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.997 -10.123 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.933 -8.644 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.836 -8.820 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.508 -10.391 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.600 -9.083 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.920 -7.708 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.468 -8.919 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.904 -9.013 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.562 -10.345 -6.567 1.00 0.00 H new ATOM 1863 N ASP A 118 8.954 -5.511 -10.592 1.00 0.00 N ATOM 1864 CA ASP A 118 8.984 -4.459 -11.600 1.00 0.00 C ATOM 1865 C ASP A 118 8.079 -4.814 -12.775 1.00 0.00 C ATOM 1866 O ASP A 118 7.534 -3.934 -13.441 1.00 0.00 O ATOM 1867 CB ASP A 118 10.413 -4.220 -12.089 1.00 0.00 C ATOM 1868 CG ASP A 118 10.996 -5.431 -12.792 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.310 -6.424 -12.103 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.141 -5.385 -14.032 1.00 0.00 O ATOM 0 H ASP A 118 9.860 -5.935 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 118 8.616 -3.541 -11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.423 -3.369 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.045 -3.957 -11.241 1.00 0.00 H new ATOM 1875 N ASP A 119 7.918 -6.111 -13.017 1.00 0.00 N ATOM 1876 CA ASP A 119 7.072 -6.585 -14.104 1.00 0.00 C ATOM 1877 C ASP A 119 5.608 -6.577 -13.679 1.00 0.00 C ATOM 1878 O ASP A 119 4.711 -6.424 -14.508 1.00 0.00 O ATOM 1879 CB ASP A 119 7.486 -7.995 -14.528 1.00 0.00 C ATOM 1880 CG ASP A 119 8.964 -8.091 -14.855 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.789 -7.865 -13.945 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.296 -8.390 -16.021 1.00 0.00 O ATOM 0 H ASP A 119 8.363 -6.852 -12.475 1.00 0.00 H new ATOM 0 HA ASP A 119 7.196 -5.913 -14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.247 -8.696 -13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.904 -8.295 -15.399 1.00 0.00 H new ATOM 1887 N GLN A 120 5.377 -6.737 -12.380 1.00 0.00 N ATOM 1888 CA GLN A 120 4.023 -6.743 -11.838 1.00 0.00 C ATOM 1889 C GLN A 120 3.519 -5.323 -11.594 1.00 0.00 C ATOM 1890 O GLN A 120 2.357 -5.120 -11.245 1.00 0.00 O ATOM 1891 CB GLN A 120 3.980 -7.535 -10.532 1.00 0.00 C ATOM 1892 CG GLN A 120 4.568 -8.933 -10.642 1.00 0.00 C ATOM 1893 CD GLN A 120 4.176 -9.822 -9.477 1.00 0.00 C ATOM 1894 OE1 GLN A 120 4.105 -9.240 -8.284 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 3.938 -11.017 -9.646 1.00 0.00 N flip ATOM 0 H GLN A 120 6.110 -6.864 -11.683 1.00 0.00 H new ATOM 0 HA GLN A 120 3.372 -7.218 -12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.522 -6.982 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 120 2.945 -7.611 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.235 -9.392 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.655 -8.864 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.004 -11.423 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.674 -11.602 -8.853 1.00 0.00 H new ATOM 1904 N LEU A 121 4.399 -4.343 -11.775 1.00 0.00 N ATOM 1905 CA LEU A 121 4.046 -2.942 -11.571 1.00 0.00 C ATOM 1906 C LEU A 121 2.802 -2.569 -12.370 1.00 0.00 C ATOM 1907 O LEU A 121 2.893 -2.177 -13.533 1.00 0.00 O ATOM 1908 CB LEU A 121 5.212 -2.036 -11.970 1.00 0.00 C ATOM 1909 CG LEU A 121 6.378 -2.007 -10.982 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.597 -1.350 -11.614 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.979 -1.277 -9.707 1.00 0.00 C ATOM 0 H LEU A 121 5.366 -4.494 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 121 3.830 -2.801 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.587 -2.359 -12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.836 -1.020 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 121 6.636 -3.034 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.417 -1.338 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.897 -1.913 -12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.351 -0.328 -11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.821 -1.266 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.694 -0.253 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.135 -1.789 -9.244 1.00 0.00 H new ATOM 1923 N LYS A 122 1.640 -2.694 -11.736 1.00 0.00 N ATOM 1924 CA LYS A 122 0.378 -2.371 -12.385 1.00 0.00 C ATOM 1925 C LYS A 122 -0.298 -1.189 -11.697 1.00 0.00 C ATOM 1926 O LYS A 122 -1.162 -1.367 -10.839 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.548 -3.588 -12.371 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.544 -4.364 -13.679 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.151 -3.552 -14.811 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.409 -3.776 -16.120 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.341 -3.906 -17.273 1.00 0.00 N ATOM 0 H LYS A 122 1.548 -3.017 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 122 0.585 -2.094 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.249 -4.254 -11.561 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.565 -3.260 -12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.479 -4.640 -13.936 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.103 -5.291 -13.555 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.199 -3.825 -14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.126 -2.493 -14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.273 -2.945 -16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.200 -4.677 -16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.795 -4.057 -18.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.976 -4.715 -17.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.904 -3.037 -17.364 1.00 0.00 H new ATOM 1945 N VAL A 123 0.107 0.019 -12.077 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.455 1.231 -11.492 1.00 0.00 C ATOM 1947 C VAL A 123 -1.561 1.809 -12.370 1.00 0.00 C ATOM 1948 O VAL A 123 -1.355 2.063 -13.557 1.00 0.00 O ATOM 1949 CB VAL A 123 0.629 2.303 -11.273 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.229 2.747 -12.599 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.058 3.492 -10.514 1.00 0.00 C ATOM 0 H VAL A 123 0.821 0.184 -12.786 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.876 0.949 -10.527 1.00 0.00 H new ATOM 0 HB VAL A 123 1.426 1.864 -10.673 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.992 3.504 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.680 1.890 -13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.446 3.165 -13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.838 4.239 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.761 3.929 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.312 3.161 -9.544 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.737 2.013 -11.781 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.872 2.560 -12.517 1.00 0.00 C ATOM 1963 C HIS A 124 -4.479 3.755 -11.791 1.00 0.00 C ATOM 1964 O HIS A 124 -5.524 3.640 -11.151 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.932 1.480 -12.723 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.369 0.194 -13.239 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.587 -0.262 -14.520 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.579 -0.729 -12.641 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.957 -1.411 -14.689 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.336 -1.716 -13.565 1.00 0.00 N ATOM 0 H HIS A 124 -2.928 1.808 -10.800 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.511 2.902 -13.487 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.440 1.293 -11.777 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.684 1.846 -13.422 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.147 0.213 -15.228 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.209 -0.695 -11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.951 -2.001 -15.594 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.820 4.904 -11.901 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.316 6.104 -11.255 1.00 0.00 C ATOM 1981 C GLY A 125 -5.707 6.479 -11.724 1.00 0.00 C ATOM 1982 O GLY A 125 -5.928 6.705 -12.914 1.00 0.00 O ATOM 0 H GLY A 125 -2.953 5.025 -12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.328 5.954 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.633 6.930 -11.455 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.649 6.542 -10.786 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.034 6.889 -11.101 1.00 0.00 C ATOM 1988 C PHE A 126 -8.108 8.087 -12.048 1.00 0.00 C ATOM 1989 O PHE A 126 -9.017 8.109 -12.903 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.811 7.182 -9.812 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.562 8.553 -9.247 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.272 9.041 -9.115 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.621 9.354 -8.848 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.041 10.301 -8.597 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.396 10.615 -8.330 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.106 11.090 -8.205 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.256 8.992 -11.923 1.00 0.00 O ATOM 0 H PHE A 126 -6.478 6.357 -9.798 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.488 6.036 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.877 7.069 -10.009 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.545 6.437 -9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.436 8.429 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.633 8.988 -8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.030 10.669 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.230 11.229 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.929 12.076 -7.802 1.00 0.00 H new TER 2007 PHE A 126