USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 843 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 22 ASN : amide:sc= 1.02 K(o=2.5,f=-9.2!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -110:sc= 1.52 (180deg=0.0573) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 162:sc= 1.24 (180deg=-0.00896) USER MOD Set 2.2: A 70 SER OG : rot 100:sc= 1.12 USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 LYS NZ :NH3+ 180:sc= 1.41 (180deg=1.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.08 (180deg=0.769) USER MOD Single : A 3 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-2.7!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 5 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.011) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00886 X(o=-0.0089,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.21) USER MOD Single : A 11 MET CE :methyl -167:sc= -1.07 (180deg=-1.16) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.7) USER MOD Single : A 18 THR OG1 : rot -70:sc= -0.277 USER MOD Single : A 20 ASN : amide:sc= 0.211 K(o=0.21,f=-6.3!) USER MOD Single : A 23 SER OG : rot -10:sc= -0.262 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -107:sc= -0.615 (180deg=-1.08) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 102:sc= -0.584 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -73:sc= 0.259 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.75 K(o=-1.8,f=-6.3!) USER MOD Single : A 83 ASN : amide:sc= -0.108 K(o=-0.11,f=-3.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 84:sc= 0.783 USER MOD Single : A 94 MET CE :methyl -174:sc= -0.452 (180deg=-0.489) USER MOD Single : A 99 SER OG : rot 72:sc= 0.841 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0648 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.663 -37.495 15.137 1.00 43.03 N ATOM 2 CA MET A 1 4.905 -36.854 15.643 1.00 31.52 C ATOM 3 C MET A 1 4.579 -35.498 16.300 1.00 55.30 C ATOM 4 O MET A 1 4.844 -35.304 17.493 1.00 75.31 O ATOM 5 CB MET A 1 5.961 -36.669 14.507 1.00 41.25 C ATOM 6 CG MET A 1 6.488 -37.979 13.901 1.00 41.21 C ATOM 7 SD MET A 1 5.190 -38.967 13.119 1.00 34.15 S ATOM 8 CE MET A 1 6.098 -40.423 12.601 1.00 31.01 C ATOM 0 H1 MET A 1 3.906 -38.197 14.409 1.00 43.03 H new ATOM 0 H2 MET A 1 3.171 -37.967 15.922 1.00 43.03 H new ATOM 0 H3 MET A 1 3.041 -36.770 14.725 1.00 43.03 H new ATOM 0 HA MET A 1 5.338 -37.516 16.393 1.00 31.52 H new ATOM 0 HB2 MET A 1 5.518 -36.069 13.712 1.00 41.25 H new ATOM 0 HB3 MET A 1 6.804 -36.102 14.902 1.00 41.25 H new ATOM 0 HG2 MET A 1 7.256 -37.748 13.163 1.00 41.21 H new ATOM 0 HG3 MET A 1 6.965 -38.569 14.684 1.00 41.21 H new ATOM 0 HE1 MET A 1 5.420 -41.117 12.104 1.00 31.01 H new ATOM 0 HE2 MET A 1 6.889 -40.132 11.910 1.00 31.01 H new ATOM 0 HE3 MET A 1 6.538 -40.907 13.473 1.00 31.01 H new ATOM 20 N GLY A 2 3.974 -34.579 15.511 1.00 1.21 N ATOM 21 CA GLY A 2 3.702 -33.207 15.958 1.00 74.13 C ATOM 22 C GLY A 2 2.579 -33.084 16.978 1.00 24.25 C ATOM 23 O GLY A 2 2.618 -32.184 17.814 1.00 45.52 O ATOM 0 H GLY A 2 3.666 -34.772 14.558 1.00 1.21 H new ATOM 0 HA2 GLY A 2 4.613 -32.792 16.388 1.00 74.13 H new ATOM 0 HA3 GLY A 2 3.454 -32.598 15.089 1.00 74.13 H new ATOM 27 N HIS A 3 1.616 -34.022 16.901 1.00 40.22 N ATOM 28 CA HIS A 3 0.407 -34.137 17.773 1.00 21.11 C ATOM 29 C HIS A 3 -0.379 -32.802 17.974 1.00 1.11 C ATOM 30 O HIS A 3 -1.454 -32.622 17.397 1.00 24.22 O ATOM 31 CB HIS A 3 0.680 -34.880 19.131 1.00 14.45 C ATOM 32 CG HIS A 3 1.719 -34.267 20.055 1.00 64.41 C ATOM 33 ND1 HIS A 3 1.422 -33.291 20.988 1.00 1.40 N ATOM 34 CD2 HIS A 3 3.059 -34.482 20.169 1.00 44.41 C ATOM 35 CE1 HIS A 3 2.522 -32.938 21.626 1.00 24.14 C ATOM 36 NE2 HIS A 3 3.521 -33.648 21.152 1.00 71.41 N ATOM 0 H HIS A 3 1.651 -34.761 16.199 1.00 40.22 H new ATOM 0 HA HIS A 3 -0.263 -34.779 17.201 1.00 21.11 H new ATOM 0 HB2 HIS A 3 -0.261 -34.946 19.676 1.00 14.45 H new ATOM 0 HB3 HIS A 3 0.989 -35.900 18.903 1.00 14.45 H new ATOM 0 HD2 HIS A 3 3.647 -35.180 19.592 1.00 44.41 H new ATOM 0 HE1 HIS A 3 2.590 -32.193 22.405 1.00 24.14 H new ATOM 0 HE2 HIS A 3 4.489 -33.587 21.467 1.00 71.41 H new ATOM 45 N HIS A 4 0.152 -31.873 18.789 1.00 62.30 N ATOM 46 CA HIS A 4 -0.502 -30.589 19.085 1.00 35.43 C ATOM 47 C HIS A 4 0.362 -29.435 18.555 1.00 72.11 C ATOM 48 O HIS A 4 1.332 -29.026 19.194 1.00 42.15 O ATOM 49 CB HIS A 4 -0.747 -30.437 20.615 1.00 63.34 C ATOM 50 CG HIS A 4 -1.256 -29.073 21.044 1.00 62.34 C ATOM 51 ND1 HIS A 4 -0.417 -28.065 21.480 1.00 44.23 N ATOM 52 CD2 HIS A 4 -2.506 -28.543 21.074 1.00 55.33 C ATOM 53 CE1 HIS A 4 -1.122 -26.988 21.751 1.00 12.53 C ATOM 54 NE2 HIS A 4 -2.389 -27.248 21.516 1.00 3.11 N ATOM 0 H HIS A 4 1.048 -31.993 19.261 1.00 62.30 H new ATOM 0 HA HIS A 4 -1.471 -30.562 18.587 1.00 35.43 H new ATOM 0 HB2 HIS A 4 -1.465 -31.193 20.931 1.00 63.34 H new ATOM 0 HB3 HIS A 4 0.185 -30.643 21.141 1.00 63.34 H new ATOM 0 HD2 HIS A 4 -3.422 -29.046 20.801 1.00 55.33 H new ATOM 0 HE1 HIS A 4 -0.726 -26.048 22.107 1.00 12.53 H new ATOM 0 HE2 HIS A 4 -3.161 -26.593 21.642 1.00 3.11 H new ATOM 63 N HIS A 5 0.033 -28.965 17.348 1.00 13.51 N ATOM 64 CA HIS A 5 0.524 -27.681 16.831 1.00 51.25 C ATOM 65 C HIS A 5 -0.513 -26.583 17.120 1.00 2.11 C ATOM 66 O HIS A 5 -1.655 -26.872 17.511 1.00 40.25 O ATOM 67 CB HIS A 5 0.813 -27.774 15.304 1.00 14.02 C ATOM 68 CG HIS A 5 2.018 -28.614 14.956 1.00 54.31 C ATOM 69 ND1 HIS A 5 1.991 -29.659 14.054 1.00 52.14 N ATOM 70 CD2 HIS A 5 3.301 -28.524 15.371 1.00 63.33 C ATOM 71 CE1 HIS A 5 3.198 -30.165 13.937 1.00 10.32 C ATOM 72 NE2 HIS A 5 4.009 -29.500 14.727 1.00 34.44 N ATOM 0 H HIS A 5 -0.580 -29.462 16.702 1.00 13.51 H new ATOM 0 HA HIS A 5 1.459 -27.431 17.332 1.00 51.25 H new ATOM 0 HB2 HIS A 5 -0.062 -28.188 14.804 1.00 14.02 H new ATOM 0 HB3 HIS A 5 0.959 -26.768 14.910 1.00 14.02 H new ATOM 0 HD2 HIS A 5 3.695 -27.812 16.081 1.00 63.33 H new ATOM 0 HE1 HIS A 5 3.476 -30.990 13.298 1.00 10.32 H new ATOM 0 HE2 HIS A 5 5.006 -29.682 14.842 1.00 34.44 H new ATOM 81 N HIS A 6 -0.099 -25.329 16.929 1.00 54.15 N ATOM 82 CA HIS A 6 -0.974 -24.168 17.077 1.00 33.53 C ATOM 83 C HIS A 6 -0.446 -23.049 16.178 1.00 14.11 C ATOM 84 O HIS A 6 0.378 -22.223 16.596 1.00 12.40 O ATOM 85 CB HIS A 6 -1.072 -23.729 18.566 1.00 0.23 C ATOM 86 CG HIS A 6 -1.989 -22.557 18.798 1.00 32.51 C ATOM 87 ND1 HIS A 6 -3.354 -22.634 18.644 1.00 75.43 N ATOM 88 CD2 HIS A 6 -1.729 -21.272 19.135 1.00 53.33 C ATOM 89 CE1 HIS A 6 -3.891 -21.457 18.876 1.00 73.45 C ATOM 90 NE2 HIS A 6 -2.927 -20.613 19.171 1.00 43.21 N ATOM 0 H HIS A 6 0.857 -25.091 16.666 1.00 54.15 H new ATOM 0 HA HIS A 6 -1.988 -24.421 16.768 1.00 33.53 H new ATOM 0 HB2 HIS A 6 -1.420 -24.573 19.161 1.00 0.23 H new ATOM 0 HB3 HIS A 6 -0.075 -23.474 18.926 1.00 0.23 H new ATOM 0 HD2 HIS A 6 -0.757 -20.847 19.338 1.00 53.33 H new ATOM 0 HE1 HIS A 6 -4.944 -21.223 18.832 1.00 73.45 H new ATOM 0 HE2 HIS A 6 -3.052 -19.625 19.391 1.00 43.21 H new ATOM 99 N HIS A 7 -0.880 -23.073 14.912 1.00 44.11 N ATOM 100 CA HIS A 7 -0.474 -22.090 13.910 1.00 31.23 C ATOM 101 C HIS A 7 -1.665 -21.180 13.572 1.00 2.20 C ATOM 102 O HIS A 7 -2.573 -21.577 12.832 1.00 51.23 O ATOM 103 CB HIS A 7 0.072 -22.788 12.641 1.00 2.23 C ATOM 104 CG HIS A 7 0.626 -21.818 11.621 1.00 45.23 C ATOM 105 ND1 HIS A 7 0.018 -21.545 10.411 1.00 73.43 N ATOM 106 CD2 HIS A 7 1.733 -21.039 11.657 1.00 71.33 C ATOM 107 CE1 HIS A 7 0.726 -20.649 9.759 1.00 35.11 C ATOM 108 NE2 HIS A 7 1.770 -20.330 10.489 1.00 35.53 N ATOM 0 H HIS A 7 -1.525 -23.779 14.556 1.00 44.11 H new ATOM 0 HA HIS A 7 0.331 -21.479 14.317 1.00 31.23 H new ATOM 0 HB2 HIS A 7 0.855 -23.490 12.928 1.00 2.23 H new ATOM 0 HB3 HIS A 7 -0.727 -23.371 12.182 1.00 2.23 H new ATOM 0 HD2 HIS A 7 2.453 -20.987 12.460 1.00 71.33 H new ATOM 0 HE1 HIS A 7 0.489 -20.244 8.787 1.00 35.11 H new ATOM 0 HE2 HIS A 7 2.493 -19.660 10.226 1.00 35.53 H new ATOM 117 N HIS A 8 -1.682 -19.982 14.169 1.00 61.32 N ATOM 118 CA HIS A 8 -2.676 -18.940 13.864 1.00 1.34 C ATOM 119 C HIS A 8 -2.025 -17.880 12.962 1.00 12.45 C ATOM 120 O HIS A 8 -0.839 -17.548 13.145 1.00 11.53 O ATOM 121 CB HIS A 8 -3.231 -18.307 15.174 1.00 44.43 C ATOM 122 CG HIS A 8 -2.206 -17.595 16.033 1.00 61.34 C ATOM 123 ND1 HIS A 8 -1.996 -16.230 15.987 1.00 74.41 N ATOM 124 CD2 HIS A 8 -1.328 -18.065 16.959 1.00 63.10 C ATOM 125 CE1 HIS A 8 -1.045 -15.900 16.838 1.00 55.02 C ATOM 126 NE2 HIS A 8 -0.626 -16.991 17.440 1.00 54.15 N ATOM 0 H HIS A 8 -1.005 -19.705 14.880 1.00 61.32 H new ATOM 0 HA HIS A 8 -3.522 -19.383 13.338 1.00 1.34 H new ATOM 0 HB2 HIS A 8 -4.016 -17.598 14.911 1.00 44.43 H new ATOM 0 HB3 HIS A 8 -3.697 -19.093 15.769 1.00 44.43 H new ATOM 0 HD2 HIS A 8 -1.206 -19.095 17.260 1.00 63.10 H new ATOM 0 HE1 HIS A 8 -0.673 -14.901 17.012 1.00 55.02 H new ATOM 0 HE2 HIS A 8 0.104 -17.032 18.151 1.00 54.15 H new ATOM 135 N SER A 9 -2.786 -17.374 11.975 1.00 2.52 N ATOM 136 CA SER A 9 -2.301 -16.324 11.071 1.00 74.45 C ATOM 137 C SER A 9 -2.226 -14.995 11.848 1.00 34.35 C ATOM 138 O SER A 9 -3.240 -14.336 12.091 1.00 63.21 O ATOM 139 CB SER A 9 -3.209 -16.211 9.821 1.00 35.10 C ATOM 140 OG SER A 9 -2.705 -15.259 8.896 1.00 21.50 O ATOM 0 H SER A 9 -3.741 -17.678 11.786 1.00 2.52 H new ATOM 0 HA SER A 9 -1.304 -16.577 10.711 1.00 74.45 H new ATOM 0 HB2 SER A 9 -3.286 -17.185 9.337 1.00 35.10 H new ATOM 0 HB3 SER A 9 -4.216 -15.926 10.126 1.00 35.10 H new ATOM 0 HG SER A 9 -3.299 -15.212 8.118 1.00 21.50 H new ATOM 146 N HIS A 10 -1.013 -14.662 12.298 1.00 31.35 N ATOM 147 CA HIS A 10 -0.743 -13.453 13.085 1.00 40.20 C ATOM 148 C HIS A 10 -0.626 -12.237 12.138 1.00 64.32 C ATOM 149 O HIS A 10 0.334 -12.121 11.385 1.00 32.21 O ATOM 150 CB HIS A 10 0.530 -13.652 13.960 1.00 52.44 C ATOM 151 CG HIS A 10 1.786 -14.027 13.206 1.00 71.31 C ATOM 152 ND1 HIS A 10 2.762 -13.112 12.863 1.00 73.24 N ATOM 153 CD2 HIS A 10 2.225 -15.225 12.737 1.00 44.34 C ATOM 154 CE1 HIS A 10 3.736 -13.729 12.221 1.00 54.02 C ATOM 155 NE2 HIS A 10 3.437 -15.006 12.136 1.00 54.13 N ATOM 0 H HIS A 10 -0.183 -15.228 12.125 1.00 31.35 H new ATOM 0 HA HIS A 10 -1.569 -13.261 13.769 1.00 40.20 H new ATOM 0 HB2 HIS A 10 0.719 -12.730 14.510 1.00 52.44 H new ATOM 0 HB3 HIS A 10 0.325 -14.428 14.698 1.00 52.44 H new ATOM 0 HD2 HIS A 10 1.714 -16.173 12.822 1.00 44.34 H new ATOM 0 HE1 HIS A 10 4.629 -13.263 11.831 1.00 54.02 H new ATOM 0 HE2 HIS A 10 4.015 -15.720 11.693 1.00 54.13 H new ATOM 164 N MET A 11 -1.650 -11.369 12.130 1.00 34.50 N ATOM 165 CA MET A 11 -1.700 -10.205 11.226 1.00 14.21 C ATOM 166 C MET A 11 -1.566 -8.896 12.027 1.00 44.10 C ATOM 167 O MET A 11 -2.551 -8.367 12.564 1.00 51.50 O ATOM 168 CB MET A 11 -3.005 -10.221 10.393 1.00 13.20 C ATOM 169 CG MET A 11 -3.011 -9.214 9.239 1.00 70.33 C ATOM 170 SD MET A 11 -1.684 -9.539 8.054 1.00 31.34 S ATOM 171 CE MET A 11 -1.924 -8.213 6.878 1.00 13.41 C ATOM 0 H MET A 11 -2.461 -11.451 12.744 1.00 34.50 H new ATOM 0 HA MET A 11 -0.860 -10.263 10.534 1.00 14.21 H new ATOM 0 HB2 MET A 11 -3.156 -11.223 9.990 1.00 13.20 H new ATOM 0 HB3 MET A 11 -3.848 -10.011 11.051 1.00 13.20 H new ATOM 0 HG2 MET A 11 -3.973 -9.254 8.727 1.00 70.33 H new ATOM 0 HG3 MET A 11 -2.903 -8.205 9.637 1.00 70.33 H new ATOM 0 HE1 MET A 11 -1.338 -8.412 5.980 1.00 13.41 H new ATOM 0 HE2 MET A 11 -2.980 -8.146 6.615 1.00 13.41 H new ATOM 0 HE3 MET A 11 -1.600 -7.271 7.321 1.00 13.41 H new ATOM 181 N PHE A 12 -0.325 -8.421 12.142 1.00 53.15 N ATOM 182 CA PHE A 12 0.012 -7.134 12.764 1.00 33.13 C ATOM 183 C PHE A 12 0.731 -6.271 11.725 1.00 45.21 C ATOM 184 O PHE A 12 1.800 -6.659 11.238 1.00 64.43 O ATOM 185 CB PHE A 12 0.917 -7.348 14.011 1.00 75.31 C ATOM 186 CG PHE A 12 0.265 -8.185 15.112 1.00 52.14 C ATOM 187 CD1 PHE A 12 -0.639 -7.607 16.007 1.00 70.35 C ATOM 188 CD2 PHE A 12 0.543 -9.548 15.243 1.00 71.55 C ATOM 189 CE1 PHE A 12 -1.239 -8.362 16.998 1.00 42.05 C ATOM 190 CE2 PHE A 12 -0.061 -10.301 16.234 1.00 33.44 C ATOM 191 CZ PHE A 12 -0.949 -9.707 17.110 1.00 11.14 C ATOM 0 H PHE A 12 0.491 -8.928 11.800 1.00 53.15 H new ATOM 0 HA PHE A 12 -0.898 -6.636 13.097 1.00 33.13 H new ATOM 0 HB2 PHE A 12 1.841 -7.833 13.698 1.00 75.31 H new ATOM 0 HB3 PHE A 12 1.190 -6.376 14.421 1.00 75.31 H new ATOM 0 HD1 PHE A 12 -0.872 -6.556 15.924 1.00 70.35 H new ATOM 0 HD2 PHE A 12 1.237 -10.019 14.563 1.00 71.55 H new ATOM 0 HE1 PHE A 12 -1.934 -7.900 17.684 1.00 42.05 H new ATOM 0 HE2 PHE A 12 0.162 -11.354 16.323 1.00 33.44 H new ATOM 0 HZ PHE A 12 -1.417 -10.296 17.884 1.00 11.14 H new ATOM 201 N ILE A 13 0.144 -5.110 11.377 1.00 0.41 N ATOM 202 CA ILE A 13 0.754 -4.165 10.431 1.00 52.12 C ATOM 203 C ILE A 13 1.478 -3.090 11.246 1.00 32.20 C ATOM 204 O ILE A 13 0.844 -2.340 11.988 1.00 62.24 O ATOM 205 CB ILE A 13 -0.303 -3.477 9.480 1.00 44.20 C ATOM 206 CG1 ILE A 13 -1.158 -4.549 8.738 1.00 1.51 C ATOM 207 CG2 ILE A 13 0.397 -2.522 8.467 1.00 63.24 C ATOM 208 CD1 ILE A 13 -2.203 -3.980 7.796 1.00 53.05 C ATOM 0 H ILE A 13 -0.759 -4.805 11.742 1.00 0.41 H new ATOM 0 HA ILE A 13 1.438 -4.719 9.788 1.00 52.12 H new ATOM 0 HB ILE A 13 -0.973 -2.877 10.096 1.00 44.20 H new ATOM 0 HG12 ILE A 13 -0.491 -5.198 8.171 1.00 1.51 H new ATOM 0 HG13 ILE A 13 -1.657 -5.174 9.479 1.00 1.51 H new ATOM 0 HG21 ILE A 13 -0.353 -2.061 7.824 1.00 63.24 H new ATOM 0 HG22 ILE A 13 0.935 -1.746 9.011 1.00 63.24 H new ATOM 0 HG23 ILE A 13 1.099 -3.090 7.857 1.00 63.24 H new ATOM 0 HD11 ILE A 13 -2.750 -4.796 7.324 1.00 53.05 H new ATOM 0 HD12 ILE A 13 -2.897 -3.355 8.358 1.00 53.05 H new ATOM 0 HD13 ILE A 13 -1.713 -3.380 7.029 1.00 53.05 H new ATOM 220 N GLN A 14 2.799 -3.051 11.130 1.00 31.42 N ATOM 221 CA GLN A 14 3.644 -2.067 11.820 1.00 53.23 C ATOM 222 C GLN A 14 4.144 -1.043 10.789 1.00 73.41 C ATOM 223 O GLN A 14 4.476 -1.405 9.658 1.00 40.25 O ATOM 224 CB GLN A 14 4.817 -2.798 12.545 1.00 43.01 C ATOM 225 CG GLN A 14 5.640 -3.738 11.642 1.00 20.42 C ATOM 226 CD GLN A 14 6.662 -4.595 12.397 1.00 23.23 C ATOM 227 OE1 GLN A 14 7.198 -4.192 13.429 1.00 53.15 O ATOM 228 NE2 GLN A 14 6.927 -5.789 11.899 1.00 32.31 N ATOM 0 H GLN A 14 3.325 -3.705 10.550 1.00 31.42 H new ATOM 0 HA GLN A 14 3.077 -1.534 12.584 1.00 53.23 H new ATOM 0 HB2 GLN A 14 5.484 -2.050 12.974 1.00 43.01 H new ATOM 0 HB3 GLN A 14 4.411 -3.376 13.375 1.00 43.01 H new ATOM 0 HG2 GLN A 14 4.958 -4.396 11.103 1.00 20.42 H new ATOM 0 HG3 GLN A 14 6.164 -3.141 10.895 1.00 20.42 H new ATOM 0 HE21 GLN A 14 6.468 -6.097 11.042 1.00 32.31 H new ATOM 0 HE22 GLN A 14 7.591 -6.403 12.371 1.00 32.31 H new ATOM 237 N THR A 15 4.175 0.236 11.179 1.00 13.31 N ATOM 238 CA THR A 15 4.630 1.324 10.296 1.00 44.13 C ATOM 239 C THR A 15 6.079 1.678 10.637 1.00 30.04 C ATOM 240 O THR A 15 6.463 1.708 11.813 1.00 44.51 O ATOM 241 CB THR A 15 3.711 2.595 10.407 1.00 73.33 C ATOM 242 OG1 THR A 15 3.565 2.988 11.778 1.00 34.32 O ATOM 243 CG2 THR A 15 2.316 2.346 9.802 1.00 44.11 C ATOM 0 H THR A 15 3.889 0.548 12.107 1.00 13.31 H new ATOM 0 HA THR A 15 4.568 0.976 9.265 1.00 44.13 H new ATOM 0 HB THR A 15 4.195 3.392 9.842 1.00 73.33 H new ATOM 0 HG1 THR A 15 2.992 3.781 11.832 1.00 34.32 H new ATOM 0 HG21 THR A 15 1.711 3.248 9.898 1.00 44.11 H new ATOM 0 HG22 THR A 15 2.417 2.088 8.748 1.00 44.11 H new ATOM 0 HG23 THR A 15 1.831 1.526 10.331 1.00 44.11 H new ATOM 251 N GLN A 16 6.881 1.896 9.597 1.00 43.44 N ATOM 252 CA GLN A 16 8.287 2.266 9.714 1.00 3.41 C ATOM 253 C GLN A 16 8.493 3.593 8.978 1.00 63.43 C ATOM 254 O GLN A 16 8.056 3.736 7.825 1.00 63.52 O ATOM 255 CB GLN A 16 9.176 1.133 9.124 1.00 21.11 C ATOM 256 CG GLN A 16 10.698 1.395 9.172 1.00 64.24 C ATOM 257 CD GLN A 16 11.215 1.756 10.572 1.00 2.13 C ATOM 258 OE1 GLN A 16 11.300 2.930 10.936 1.00 11.13 O ATOM 259 NE2 GLN A 16 11.543 0.755 11.370 1.00 71.14 N ATOM 0 H GLN A 16 6.564 1.818 8.631 1.00 43.44 H new ATOM 0 HA GLN A 16 8.574 2.394 10.758 1.00 3.41 H new ATOM 0 HB2 GLN A 16 8.966 0.210 9.664 1.00 21.11 H new ATOM 0 HB3 GLN A 16 8.885 0.968 8.087 1.00 21.11 H new ATOM 0 HG2 GLN A 16 11.222 0.508 8.818 1.00 64.24 H new ATOM 0 HG3 GLN A 16 10.941 2.205 8.484 1.00 64.24 H new ATOM 0 HE21 GLN A 16 11.462 -0.207 11.041 1.00 71.14 H new ATOM 0 HE22 GLN A 16 11.877 0.944 12.315 1.00 71.14 H new ATOM 268 N ASP A 17 9.151 4.551 9.664 1.00 25.51 N ATOM 269 CA ASP A 17 9.406 5.903 9.148 1.00 54.31 C ATOM 270 C ASP A 17 10.292 5.823 7.893 1.00 23.44 C ATOM 271 O ASP A 17 11.277 5.065 7.860 1.00 21.05 O ATOM 272 CB ASP A 17 10.077 6.783 10.237 1.00 51.13 C ATOM 273 CG ASP A 17 9.179 7.016 11.468 1.00 63.13 C ATOM 274 OD1 ASP A 17 9.056 6.098 12.311 1.00 74.11 O ATOM 275 OD2 ASP A 17 8.580 8.110 11.593 1.00 21.51 O ATOM 0 H ASP A 17 9.522 4.401 10.602 1.00 25.51 H new ATOM 0 HA ASP A 17 8.456 6.364 8.879 1.00 54.31 H new ATOM 0 HB2 ASP A 17 11.005 6.309 10.557 1.00 51.13 H new ATOM 0 HB3 ASP A 17 10.344 7.746 9.803 1.00 51.13 H new ATOM 280 N THR A 18 9.920 6.605 6.881 1.00 25.12 N ATOM 281 CA THR A 18 10.509 6.562 5.535 1.00 63.40 C ATOM 282 C THR A 18 11.028 7.992 5.209 1.00 2.45 C ATOM 283 O THR A 18 10.318 8.953 5.503 1.00 22.01 O ATOM 284 CB THR A 18 9.426 6.072 4.496 1.00 3.42 C ATOM 285 OG1 THR A 18 8.506 5.188 5.154 1.00 71.04 O ATOM 286 CG2 THR A 18 10.022 5.302 3.303 1.00 74.42 C ATOM 0 H THR A 18 9.183 7.304 6.972 1.00 25.12 H new ATOM 0 HA THR A 18 11.340 5.858 5.482 1.00 63.40 H new ATOM 0 HB THR A 18 8.943 6.972 4.114 1.00 3.42 H new ATOM 0 HG1 THR A 18 8.958 4.345 5.368 1.00 71.04 H new ATOM 0 HG21 THR A 18 9.221 4.996 2.630 1.00 74.42 H new ATOM 0 HG22 THR A 18 10.720 5.945 2.767 1.00 74.42 H new ATOM 0 HG23 THR A 18 10.548 4.419 3.666 1.00 74.42 H new ATOM 294 N PRO A 19 12.257 8.149 4.607 1.00 51.10 N ATOM 295 CA PRO A 19 12.986 9.461 4.506 1.00 13.40 C ATOM 296 C PRO A 19 12.151 10.623 3.903 1.00 11.14 C ATOM 297 O PRO A 19 12.311 11.785 4.300 1.00 74.22 O ATOM 298 CB PRO A 19 14.205 9.116 3.603 1.00 33.52 C ATOM 299 CG PRO A 19 14.417 7.643 3.801 1.00 11.34 C ATOM 300 CD PRO A 19 13.029 7.061 3.950 1.00 14.22 C ATOM 0 HA PRO A 19 13.248 9.840 5.494 1.00 13.40 H new ATOM 0 HB2 PRO A 19 14.003 9.351 2.558 1.00 33.52 H new ATOM 0 HB3 PRO A 19 15.087 9.686 3.893 1.00 33.52 H new ATOM 0 HG2 PRO A 19 14.940 7.203 2.952 1.00 11.34 H new ATOM 0 HG3 PRO A 19 15.023 7.447 4.685 1.00 11.34 H new ATOM 0 HD2 PRO A 19 12.601 6.794 2.984 1.00 14.22 H new ATOM 0 HD3 PRO A 19 13.038 6.155 4.556 1.00 14.22 H new ATOM 308 N ASN A 20 11.283 10.290 2.939 1.00 52.30 N ATOM 309 CA ASN A 20 10.311 11.232 2.354 1.00 13.14 C ATOM 310 C ASN A 20 9.016 11.179 3.215 1.00 62.21 C ATOM 311 O ASN A 20 8.420 10.112 3.329 1.00 33.01 O ATOM 312 CB ASN A 20 10.047 10.845 0.861 1.00 75.23 C ATOM 313 CG ASN A 20 9.127 11.808 0.077 1.00 43.11 C ATOM 314 OD1 ASN A 20 8.239 12.453 0.624 1.00 52.04 O ATOM 315 ND2 ASN A 20 9.321 11.887 -1.228 1.00 41.40 N ATOM 0 H ASN A 20 11.233 9.353 2.538 1.00 52.30 H new ATOM 0 HA ASN A 20 10.691 12.254 2.359 1.00 13.14 H new ATOM 0 HB2 ASN A 20 11.005 10.785 0.345 1.00 75.23 H new ATOM 0 HB3 ASN A 20 9.607 9.848 0.835 1.00 75.23 H new ATOM 0 HD21 ASN A 20 8.727 12.491 -1.796 1.00 41.40 H new ATOM 0 HD22 ASN A 20 10.064 11.344 -1.667 1.00 41.40 H new ATOM 322 N PRO A 21 8.588 12.316 3.868 1.00 65.35 N ATOM 323 CA PRO A 21 7.363 12.348 4.731 1.00 1.32 C ATOM 324 C PRO A 21 6.038 12.029 3.990 1.00 74.52 C ATOM 325 O PRO A 21 5.041 11.659 4.623 1.00 60.45 O ATOM 326 CB PRO A 21 7.362 13.793 5.300 1.00 75.32 C ATOM 327 CG PRO A 21 8.779 14.273 5.147 1.00 23.21 C ATOM 328 CD PRO A 21 9.287 13.631 3.879 1.00 50.44 C ATOM 0 HA PRO A 21 7.404 11.569 5.492 1.00 1.32 H new ATOM 0 HB2 PRO A 21 6.668 14.432 4.754 1.00 75.32 H new ATOM 0 HB3 PRO A 21 7.052 13.805 6.345 1.00 75.32 H new ATOM 0 HG2 PRO A 21 8.820 15.360 5.080 1.00 23.21 H new ATOM 0 HG3 PRO A 21 9.386 13.983 6.004 1.00 23.21 H new ATOM 0 HD2 PRO A 21 9.042 14.226 2.999 1.00 50.44 H new ATOM 0 HD3 PRO A 21 10.370 13.512 3.892 1.00 50.44 H new ATOM 336 N ASN A 22 6.033 12.183 2.648 1.00 73.13 N ATOM 337 CA ASN A 22 4.862 11.848 1.801 1.00 24.14 C ATOM 338 C ASN A 22 4.825 10.348 1.451 1.00 23.35 C ATOM 339 O ASN A 22 3.857 9.888 0.854 1.00 62.01 O ATOM 340 CB ASN A 22 4.835 12.702 0.498 1.00 2.22 C ATOM 341 CG ASN A 22 4.467 14.176 0.726 1.00 52.14 C ATOM 342 OD1 ASN A 22 3.746 14.521 1.662 1.00 4.15 O ATOM 343 ND2 ASN A 22 4.923 15.045 -0.160 1.00 5.15 N ATOM 0 H ASN A 22 6.832 12.539 2.123 1.00 73.13 H new ATOM 0 HA ASN A 22 3.973 12.085 2.386 1.00 24.14 H new ATOM 0 HB2 ASN A 22 5.814 12.652 0.022 1.00 2.22 H new ATOM 0 HB3 ASN A 22 4.120 12.263 -0.198 1.00 2.22 H new ATOM 0 HD21 ASN A 22 4.679 16.032 -0.079 1.00 5.15 H new ATOM 0 HD22 ASN A 22 5.519 14.728 -0.925 1.00 5.15 H new ATOM 350 N SER A 23 5.881 9.598 1.810 1.00 4.51 N ATOM 351 CA SER A 23 5.915 8.124 1.675 1.00 1.44 C ATOM 352 C SER A 23 6.003 7.491 3.075 1.00 73.14 C ATOM 353 O SER A 23 6.687 8.020 3.958 1.00 41.35 O ATOM 354 CB SER A 23 7.108 7.681 0.786 1.00 25.23 C ATOM 355 OG SER A 23 8.360 8.073 1.332 1.00 0.05 O ATOM 0 H SER A 23 6.736 9.992 2.202 1.00 4.51 H new ATOM 0 HA SER A 23 5.001 7.784 1.188 1.00 1.44 H new ATOM 0 HB2 SER A 23 7.088 6.598 0.668 1.00 25.23 H new ATOM 0 HB3 SER A 23 6.997 8.112 -0.209 1.00 25.23 H new ATOM 0 HG SER A 23 8.212 8.682 2.085 1.00 0.05 H new ATOM 361 N LEU A 24 5.280 6.378 3.284 1.00 25.12 N ATOM 362 CA LEU A 24 5.332 5.616 4.540 1.00 43.33 C ATOM 363 C LEU A 24 5.370 4.116 4.237 1.00 14.25 C ATOM 364 O LEU A 24 4.632 3.632 3.378 1.00 71.34 O ATOM 365 CB LEU A 24 4.130 5.964 5.454 1.00 45.43 C ATOM 366 CG LEU A 24 4.122 5.306 6.872 1.00 21.01 C ATOM 367 CD1 LEU A 24 5.392 5.669 7.672 1.00 45.52 C ATOM 368 CD2 LEU A 24 2.845 5.690 7.648 1.00 71.23 C ATOM 0 H LEU A 24 4.646 5.984 2.589 1.00 25.12 H new ATOM 0 HA LEU A 24 6.241 5.890 5.075 1.00 43.33 H new ATOM 0 HB2 LEU A 24 4.098 7.046 5.579 1.00 45.43 H new ATOM 0 HB3 LEU A 24 3.214 5.676 4.938 1.00 45.43 H new ATOM 0 HG LEU A 24 4.122 4.225 6.736 1.00 21.01 H new ATOM 0 HD11 LEU A 24 5.352 5.194 8.652 1.00 45.52 H new ATOM 0 HD12 LEU A 24 6.273 5.319 7.135 1.00 45.52 H new ATOM 0 HD13 LEU A 24 5.448 6.751 7.794 1.00 45.52 H new ATOM 0 HD21 LEU A 24 2.862 5.220 8.632 1.00 71.23 H new ATOM 0 HD22 LEU A 24 2.801 6.773 7.764 1.00 71.23 H new ATOM 0 HD23 LEU A 24 1.968 5.348 7.098 1.00 71.23 H new ATOM 380 N LYS A 25 6.244 3.406 4.951 1.00 21.33 N ATOM 381 CA LYS A 25 6.458 1.969 4.801 1.00 53.24 C ATOM 382 C LYS A 25 5.510 1.210 5.756 1.00 2.54 C ATOM 383 O LYS A 25 5.629 1.322 6.978 1.00 34.23 O ATOM 384 CB LYS A 25 7.949 1.686 5.128 1.00 62.24 C ATOM 385 CG LYS A 25 8.424 0.232 4.939 1.00 71.53 C ATOM 386 CD LYS A 25 9.911 0.065 5.346 1.00 34.41 C ATOM 387 CE LYS A 25 10.434 -1.359 5.137 1.00 65.45 C ATOM 388 NZ LYS A 25 10.506 -1.734 3.700 1.00 45.12 N ATOM 0 H LYS A 25 6.837 3.826 5.667 1.00 21.33 H new ATOM 0 HA LYS A 25 6.240 1.631 3.788 1.00 53.24 H new ATOM 0 HB2 LYS A 25 8.565 2.332 4.502 1.00 62.24 H new ATOM 0 HB3 LYS A 25 8.133 1.975 6.163 1.00 62.24 H new ATOM 0 HG2 LYS A 25 7.804 -0.436 5.538 1.00 71.53 H new ATOM 0 HG3 LYS A 25 8.295 -0.062 3.897 1.00 71.53 H new ATOM 0 HD2 LYS A 25 10.520 0.758 4.766 1.00 34.41 H new ATOM 0 HD3 LYS A 25 10.028 0.338 6.395 1.00 34.41 H new ATOM 0 HE2 LYS A 25 11.425 -1.448 5.582 1.00 65.45 H new ATOM 0 HE3 LYS A 25 9.785 -2.061 5.660 1.00 65.45 H new ATOM 0 HZ1 LYS A 25 11.132 -2.557 3.587 1.00 45.12 H new ATOM 0 HZ2 LYS A 25 9.554 -1.973 3.356 1.00 45.12 H new ATOM 0 HZ3 LYS A 25 10.882 -0.935 3.151 1.00 45.12 H new ATOM 402 N PHE A 26 4.564 0.460 5.186 1.00 50.40 N ATOM 403 CA PHE A 26 3.573 -0.337 5.936 1.00 22.11 C ATOM 404 C PHE A 26 3.982 -1.805 5.843 1.00 21.20 C ATOM 405 O PHE A 26 3.800 -2.429 4.802 1.00 74.23 O ATOM 406 CB PHE A 26 2.144 -0.159 5.344 1.00 55.42 C ATOM 407 CG PHE A 26 1.552 1.241 5.488 1.00 45.13 C ATOM 408 CD1 PHE A 26 1.837 2.242 4.562 1.00 34.14 C ATOM 409 CD2 PHE A 26 0.696 1.550 6.550 1.00 33.12 C ATOM 410 CE1 PHE A 26 1.287 3.506 4.692 1.00 43.43 C ATOM 411 CE2 PHE A 26 0.146 2.811 6.676 1.00 73.24 C ATOM 412 CZ PHE A 26 0.443 3.789 5.748 1.00 0.34 C ATOM 0 H PHE A 26 4.458 0.384 4.174 1.00 50.40 H new ATOM 0 HA PHE A 26 3.550 -0.001 6.973 1.00 22.11 H new ATOM 0 HB2 PHE A 26 2.171 -0.418 4.285 1.00 55.42 H new ATOM 0 HB3 PHE A 26 1.476 -0.871 5.829 1.00 55.42 H new ATOM 0 HD1 PHE A 26 2.495 2.029 3.732 1.00 34.14 H new ATOM 0 HD2 PHE A 26 0.462 0.792 7.282 1.00 33.12 H new ATOM 0 HE1 PHE A 26 1.518 4.272 3.967 1.00 43.43 H new ATOM 0 HE2 PHE A 26 -0.516 3.032 7.500 1.00 73.24 H new ATOM 0 HZ PHE A 26 0.015 4.776 5.848 1.00 0.34 H new ATOM 422 N ILE A 27 4.580 -2.333 6.910 1.00 61.32 N ATOM 423 CA ILE A 27 5.008 -3.734 6.979 1.00 1.40 C ATOM 424 C ILE A 27 3.831 -4.574 7.521 1.00 54.14 C ATOM 425 O ILE A 27 3.555 -4.517 8.717 1.00 10.32 O ATOM 426 CB ILE A 27 6.263 -3.884 7.923 1.00 11.13 C ATOM 427 CG1 ILE A 27 7.391 -2.885 7.504 1.00 74.23 C ATOM 428 CG2 ILE A 27 6.779 -5.350 7.955 1.00 51.22 C ATOM 429 CD1 ILE A 27 8.516 -2.747 8.513 1.00 21.32 C ATOM 0 H ILE A 27 4.783 -1.801 7.756 1.00 61.32 H new ATOM 0 HA ILE A 27 5.292 -4.082 5.986 1.00 1.40 H new ATOM 0 HB ILE A 27 5.954 -3.633 8.938 1.00 11.13 H new ATOM 0 HG12 ILE A 27 7.811 -3.210 6.552 1.00 74.23 H new ATOM 0 HG13 ILE A 27 6.947 -1.904 7.338 1.00 74.23 H new ATOM 0 HG21 ILE A 27 7.644 -5.417 8.615 1.00 51.22 H new ATOM 0 HG22 ILE A 27 5.990 -6.006 8.323 1.00 51.22 H new ATOM 0 HG23 ILE A 27 7.065 -5.657 6.949 1.00 51.22 H new ATOM 0 HD11 ILE A 27 9.253 -2.035 8.141 1.00 21.32 H new ATOM 0 HD12 ILE A 27 8.113 -2.390 9.461 1.00 21.32 H new ATOM 0 HD13 ILE A 27 8.991 -3.716 8.663 1.00 21.32 H new ATOM 441 N PRO A 28 3.102 -5.360 6.657 1.00 52.55 N ATOM 442 CA PRO A 28 1.939 -6.166 7.105 1.00 43.03 C ATOM 443 C PRO A 28 2.360 -7.437 7.870 1.00 0.40 C ATOM 444 O PRO A 28 1.517 -8.127 8.463 1.00 23.13 O ATOM 445 CB PRO A 28 1.227 -6.495 5.772 1.00 54.22 C ATOM 446 CG PRO A 28 2.324 -6.566 4.756 1.00 74.42 C ATOM 447 CD PRO A 28 3.356 -5.543 5.192 1.00 20.54 C ATOM 0 HA PRO A 28 1.303 -5.639 7.817 1.00 43.03 H new ATOM 0 HB2 PRO A 28 0.686 -7.439 5.836 1.00 54.22 H new ATOM 0 HB3 PRO A 28 0.498 -5.727 5.513 1.00 54.22 H new ATOM 0 HG2 PRO A 28 2.757 -7.566 4.716 1.00 74.42 H new ATOM 0 HG3 PRO A 28 1.948 -6.342 3.758 1.00 74.42 H new ATOM 0 HD2 PRO A 28 4.370 -5.897 5.006 1.00 20.54 H new ATOM 0 HD3 PRO A 28 3.241 -4.605 4.648 1.00 20.54 H new ATOM 455 N GLY A 29 3.684 -7.711 7.855 1.00 73.20 N ATOM 456 CA GLY A 29 4.250 -8.914 8.443 1.00 41.53 C ATOM 457 C GLY A 29 4.103 -10.127 7.542 1.00 2.32 C ATOM 458 O GLY A 29 4.399 -11.247 7.951 1.00 73.01 O ATOM 0 H GLY A 29 4.378 -7.095 7.431 1.00 73.20 H new ATOM 0 HA2 GLY A 29 5.306 -8.749 8.654 1.00 41.53 H new ATOM 0 HA3 GLY A 29 3.761 -9.113 9.397 1.00 41.53 H new ATOM 462 N LYS A 30 3.621 -9.892 6.316 1.00 3.41 N ATOM 463 CA LYS A 30 3.402 -10.923 5.303 1.00 14.31 C ATOM 464 C LYS A 30 4.086 -10.469 4.008 1.00 14.44 C ATOM 465 O LYS A 30 3.762 -9.387 3.492 1.00 22.04 O ATOM 466 CB LYS A 30 1.877 -11.174 5.085 1.00 4.53 C ATOM 467 CG LYS A 30 1.198 -11.929 6.254 1.00 52.42 C ATOM 468 CD LYS A 30 -0.302 -12.207 6.021 1.00 73.31 C ATOM 469 CE LYS A 30 -0.905 -13.103 7.113 1.00 14.14 C ATOM 470 NZ LYS A 30 -0.789 -12.511 8.478 1.00 35.12 N ATOM 0 H LYS A 30 3.368 -8.957 5.996 1.00 3.41 H new ATOM 0 HA LYS A 30 3.831 -11.870 5.631 1.00 14.31 H new ATOM 0 HB2 LYS A 30 1.377 -10.216 4.943 1.00 4.53 H new ATOM 0 HB3 LYS A 30 1.739 -11.745 4.167 1.00 4.53 H new ATOM 0 HG2 LYS A 30 1.714 -12.876 6.413 1.00 52.42 H new ATOM 0 HG3 LYS A 30 1.313 -11.346 7.168 1.00 52.42 H new ATOM 0 HD2 LYS A 30 -0.844 -11.262 5.989 1.00 73.31 H new ATOM 0 HD3 LYS A 30 -0.434 -12.683 5.049 1.00 73.31 H new ATOM 0 HE2 LYS A 30 -1.956 -13.283 6.889 1.00 14.14 H new ATOM 0 HE3 LYS A 30 -0.405 -14.072 7.099 1.00 14.14 H new ATOM 0 HZ1 LYS A 30 -1.212 -13.158 9.174 1.00 35.12 H new ATOM 0 HZ2 LYS A 30 0.214 -12.363 8.708 1.00 35.12 H new ATOM 0 HZ3 LYS A 30 -1.289 -11.599 8.505 1.00 35.12 H new ATOM 484 N PRO A 31 5.063 -11.272 3.473 1.00 13.01 N ATOM 485 CA PRO A 31 5.811 -10.911 2.259 1.00 32.53 C ATOM 486 C PRO A 31 4.887 -10.809 1.027 1.00 52.34 C ATOM 487 O PRO A 31 4.431 -11.826 0.481 1.00 33.31 O ATOM 488 CB PRO A 31 6.868 -12.035 2.122 1.00 65.24 C ATOM 489 CG PRO A 31 6.320 -13.191 2.904 1.00 64.01 C ATOM 490 CD PRO A 31 5.519 -12.579 4.028 1.00 42.15 C ATOM 0 HA PRO A 31 6.273 -9.926 2.326 1.00 32.53 H new ATOM 0 HB2 PRO A 31 7.022 -12.305 1.077 1.00 65.24 H new ATOM 0 HB3 PRO A 31 7.834 -11.717 2.515 1.00 65.24 H new ATOM 0 HG2 PRO A 31 5.694 -13.826 2.277 1.00 64.01 H new ATOM 0 HG3 PRO A 31 7.123 -13.818 3.291 1.00 64.01 H new ATOM 0 HD2 PRO A 31 4.676 -13.210 4.307 1.00 42.15 H new ATOM 0 HD3 PRO A 31 6.126 -12.443 4.923 1.00 42.15 H new ATOM 498 N VAL A 32 4.568 -9.558 0.651 1.00 3.13 N ATOM 499 CA VAL A 32 3.673 -9.257 -0.478 1.00 40.55 C ATOM 500 C VAL A 32 4.327 -9.676 -1.815 1.00 74.34 C ATOM 501 O VAL A 32 3.664 -10.237 -2.691 1.00 24.24 O ATOM 502 CB VAL A 32 3.239 -7.734 -0.477 1.00 25.20 C ATOM 503 CG1 VAL A 32 2.483 -7.380 0.827 1.00 33.33 C ATOM 504 CG2 VAL A 32 4.429 -6.780 -0.694 1.00 63.20 C ATOM 0 H VAL A 32 4.924 -8.727 1.123 1.00 3.13 H new ATOM 0 HA VAL A 32 2.761 -9.843 -0.361 1.00 40.55 H new ATOM 0 HB VAL A 32 2.565 -7.597 -1.323 1.00 25.20 H new ATOM 0 HG11 VAL A 32 2.194 -6.329 0.806 1.00 33.33 H new ATOM 0 HG12 VAL A 32 1.590 -8.000 0.910 1.00 33.33 H new ATOM 0 HG13 VAL A 32 3.131 -7.561 1.684 1.00 33.33 H new ATOM 0 HG21 VAL A 32 4.075 -5.749 -0.684 1.00 63.20 H new ATOM 0 HG22 VAL A 32 5.158 -6.921 0.104 1.00 63.20 H new ATOM 0 HG23 VAL A 32 4.897 -6.994 -1.655 1.00 63.20 H new ATOM 514 N LEU A 33 5.646 -9.427 -1.929 1.00 5.33 N ATOM 515 CA LEU A 33 6.478 -9.860 -3.066 1.00 0.12 C ATOM 516 C LEU A 33 7.883 -10.191 -2.546 1.00 74.22 C ATOM 517 O LEU A 33 8.786 -9.375 -2.642 1.00 41.21 O ATOM 518 CB LEU A 33 6.542 -8.762 -4.179 1.00 50.03 C ATOM 519 CG LEU A 33 5.261 -8.565 -5.045 1.00 32.32 C ATOM 520 CD1 LEU A 33 5.415 -7.370 -5.998 1.00 71.20 C ATOM 521 CD2 LEU A 33 4.907 -9.857 -5.819 1.00 72.12 C ATOM 0 H LEU A 33 6.170 -8.911 -1.222 1.00 5.33 H new ATOM 0 HA LEU A 33 6.033 -10.746 -3.519 1.00 0.12 H new ATOM 0 HB2 LEU A 33 6.781 -7.810 -3.704 1.00 50.03 H new ATOM 0 HB3 LEU A 33 7.370 -9.002 -4.846 1.00 50.03 H new ATOM 0 HG LEU A 33 4.433 -8.346 -4.370 1.00 32.32 H new ATOM 0 HD11 LEU A 33 4.506 -7.257 -6.589 1.00 71.20 H new ATOM 0 HD12 LEU A 33 5.587 -6.463 -5.419 1.00 71.20 H new ATOM 0 HD13 LEU A 33 6.262 -7.542 -6.663 1.00 71.20 H new ATOM 0 HD21 LEU A 33 4.009 -9.690 -6.414 1.00 72.12 H new ATOM 0 HD22 LEU A 33 5.734 -10.125 -6.477 1.00 72.12 H new ATOM 0 HD23 LEU A 33 4.728 -10.667 -5.112 1.00 72.12 H new ATOM 533 N GLU A 34 8.042 -11.379 -1.949 1.00 74.25 N ATOM 534 CA GLU A 34 9.342 -11.847 -1.419 1.00 14.12 C ATOM 535 C GLU A 34 10.332 -12.083 -2.590 1.00 23.22 C ATOM 536 O GLU A 34 11.529 -11.826 -2.472 1.00 51.12 O ATOM 537 CB GLU A 34 9.131 -13.159 -0.587 1.00 33.13 C ATOM 538 CG GLU A 34 10.082 -13.359 0.624 1.00 63.24 C ATOM 539 CD GLU A 34 11.562 -13.558 0.252 1.00 11.44 C ATOM 540 OE1 GLU A 34 11.922 -14.673 -0.186 1.00 2.42 O ATOM 541 OE2 GLU A 34 12.375 -12.614 0.399 1.00 32.42 O ATOM 0 H GLU A 34 7.281 -12.045 -1.817 1.00 74.25 H new ATOM 0 HA GLU A 34 9.765 -11.088 -0.762 1.00 14.12 H new ATOM 0 HB2 GLU A 34 8.104 -13.173 -0.223 1.00 33.13 H new ATOM 0 HB3 GLU A 34 9.244 -14.012 -1.256 1.00 33.13 H new ATOM 0 HG2 GLU A 34 10.000 -12.493 1.281 1.00 63.24 H new ATOM 0 HG3 GLU A 34 9.745 -14.225 1.194 1.00 63.24 H new ATOM 548 N THR A 35 9.789 -12.543 -3.722 1.00 43.44 N ATOM 549 CA THR A 35 10.568 -12.913 -4.915 1.00 63.45 C ATOM 550 C THR A 35 11.093 -11.662 -5.673 1.00 75.33 C ATOM 551 O THR A 35 12.141 -11.723 -6.331 1.00 53.41 O ATOM 552 CB THR A 35 9.683 -13.803 -5.865 1.00 24.44 C ATOM 553 OG1 THR A 35 9.095 -14.878 -5.105 1.00 52.00 O ATOM 554 CG2 THR A 35 10.483 -14.407 -7.035 1.00 2.21 C ATOM 0 H THR A 35 8.784 -12.671 -3.840 1.00 43.44 H new ATOM 0 HA THR A 35 11.440 -13.481 -4.590 1.00 63.45 H new ATOM 0 HB THR A 35 8.917 -13.152 -6.287 1.00 24.44 H new ATOM 0 HG1 THR A 35 8.542 -15.432 -5.695 1.00 52.00 H new ATOM 0 HG21 THR A 35 9.821 -15.010 -7.656 1.00 2.21 H new ATOM 0 HG22 THR A 35 10.912 -13.605 -7.635 1.00 2.21 H new ATOM 0 HG23 THR A 35 11.284 -15.034 -6.643 1.00 2.21 H new ATOM 562 N ARG A 36 10.385 -10.521 -5.534 1.00 61.00 N ATOM 563 CA ARG A 36 10.599 -9.350 -6.414 1.00 41.22 C ATOM 564 C ARG A 36 10.134 -8.039 -5.748 1.00 55.12 C ATOM 565 O ARG A 36 9.938 -7.981 -4.543 1.00 12.44 O ATOM 566 CB ARG A 36 9.811 -9.585 -7.731 1.00 11.21 C ATOM 567 CG ARG A 36 8.267 -9.520 -7.571 1.00 72.32 C ATOM 568 CD ARG A 36 7.496 -10.041 -8.793 1.00 63.45 C ATOM 569 NE ARG A 36 7.408 -11.516 -8.825 1.00 30.00 N ATOM 570 CZ ARG A 36 8.273 -12.352 -9.427 1.00 24.32 C ATOM 571 NH1 ARG A 36 9.336 -11.892 -10.090 1.00 63.10 N ATOM 572 NH2 ARG A 36 8.064 -13.660 -9.347 1.00 50.25 N ATOM 0 H ARG A 36 9.664 -10.385 -4.825 1.00 61.00 H new ATOM 0 HA ARG A 36 11.666 -9.247 -6.613 1.00 41.22 H new ATOM 0 HB2 ARG A 36 10.121 -8.840 -8.464 1.00 11.21 H new ATOM 0 HB3 ARG A 36 10.082 -10.561 -8.134 1.00 11.21 H new ATOM 0 HG2 ARG A 36 7.977 -10.100 -6.695 1.00 72.32 H new ATOM 0 HG3 ARG A 36 7.974 -8.488 -7.381 1.00 72.32 H new ATOM 0 HD2 ARG A 36 6.490 -9.621 -8.789 1.00 63.45 H new ATOM 0 HD3 ARG A 36 7.984 -9.690 -9.702 1.00 63.45 H new ATOM 0 HE ARG A 36 6.615 -11.941 -8.344 1.00 30.00 H new ATOM 0 HH11 ARG A 36 9.506 -10.888 -10.148 1.00 63.10 H new ATOM 0 HH12 ARG A 36 9.979 -12.545 -10.539 1.00 63.10 H new ATOM 0 HH21 ARG A 36 7.257 -14.017 -8.835 1.00 50.25 H new ATOM 0 HH22 ARG A 36 8.710 -14.308 -9.798 1.00 50.25 H new ATOM 586 N THR A 37 10.023 -6.975 -6.563 1.00 50.53 N ATOM 587 CA THR A 37 9.343 -5.713 -6.203 1.00 52.14 C ATOM 588 C THR A 37 8.557 -5.207 -7.436 1.00 11.22 C ATOM 589 O THR A 37 8.939 -5.514 -8.570 1.00 73.22 O ATOM 590 CB THR A 37 10.367 -4.617 -5.739 1.00 61.42 C ATOM 591 OG1 THR A 37 11.458 -4.527 -6.678 1.00 2.05 O ATOM 592 CG2 THR A 37 10.925 -4.890 -4.327 1.00 71.54 C ATOM 0 H THR A 37 10.409 -6.965 -7.507 1.00 50.53 H new ATOM 0 HA THR A 37 8.667 -5.905 -5.370 1.00 52.14 H new ATOM 0 HB THR A 37 9.825 -3.672 -5.703 1.00 61.42 H new ATOM 0 HG1 THR A 37 12.090 -3.840 -6.380 1.00 2.05 H new ATOM 0 HG21 THR A 37 11.628 -4.103 -4.055 1.00 71.54 H new ATOM 0 HG22 THR A 37 10.105 -4.908 -3.609 1.00 71.54 H new ATOM 0 HG23 THR A 37 11.437 -5.852 -4.318 1.00 71.54 H new ATOM 600 N MET A 38 7.461 -4.442 -7.216 1.00 25.24 N ATOM 601 CA MET A 38 6.627 -3.870 -8.310 1.00 61.53 C ATOM 602 C MET A 38 6.136 -2.472 -7.898 1.00 70.12 C ATOM 603 O MET A 38 5.552 -2.312 -6.828 1.00 62.34 O ATOM 604 CB MET A 38 5.407 -4.787 -8.660 1.00 73.30 C ATOM 605 CG MET A 38 5.747 -6.076 -9.430 1.00 43.01 C ATOM 606 SD MET A 38 4.297 -7.117 -9.725 1.00 0.24 S ATOM 607 CE MET A 38 3.253 -6.025 -10.689 1.00 55.14 C ATOM 0 H MET A 38 7.128 -4.203 -6.282 1.00 25.24 H new ATOM 0 HA MET A 38 7.246 -3.800 -9.205 1.00 61.53 H new ATOM 0 HB2 MET A 38 4.902 -5.060 -7.733 1.00 73.30 H new ATOM 0 HB3 MET A 38 4.697 -4.208 -9.251 1.00 73.30 H new ATOM 0 HG2 MET A 38 6.202 -5.814 -10.385 1.00 43.01 H new ATOM 0 HG3 MET A 38 6.489 -6.644 -8.869 1.00 43.01 H new ATOM 0 HE1 MET A 38 2.421 -5.681 -10.074 1.00 55.14 H new ATOM 0 HE2 MET A 38 3.836 -5.167 -11.025 1.00 55.14 H new ATOM 0 HE3 MET A 38 2.866 -6.562 -11.555 1.00 55.14 H new ATOM 617 N ASP A 39 6.386 -1.474 -8.757 1.00 34.50 N ATOM 618 CA ASP A 39 5.982 -0.071 -8.526 1.00 72.34 C ATOM 619 C ASP A 39 4.714 0.269 -9.326 1.00 22.20 C ATOM 620 O ASP A 39 4.523 -0.201 -10.458 1.00 20.14 O ATOM 621 CB ASP A 39 7.142 0.898 -8.900 1.00 43.43 C ATOM 622 CG ASP A 39 7.511 0.871 -10.393 1.00 54.01 C ATOM 623 OD1 ASP A 39 8.085 -0.147 -10.844 1.00 44.14 O ATOM 624 OD2 ASP A 39 7.198 1.832 -11.122 1.00 10.24 O ATOM 0 H ASP A 39 6.878 -1.614 -9.640 1.00 34.50 H new ATOM 0 HA ASP A 39 5.758 0.051 -7.466 1.00 72.34 H new ATOM 0 HB2 ASP A 39 6.859 1.914 -8.623 1.00 43.43 H new ATOM 0 HB3 ASP A 39 8.023 0.640 -8.312 1.00 43.43 H new ATOM 629 N PHE A 40 3.848 1.080 -8.705 1.00 5.25 N ATOM 630 CA PHE A 40 2.574 1.562 -9.278 1.00 32.12 C ATOM 631 C PHE A 40 2.546 3.098 -9.139 1.00 32.53 C ATOM 632 O PHE A 40 2.047 3.621 -8.137 1.00 33.13 O ATOM 633 CB PHE A 40 1.361 0.906 -8.553 1.00 62.51 C ATOM 634 CG PHE A 40 1.438 -0.618 -8.501 1.00 21.13 C ATOM 635 CD1 PHE A 40 0.939 -1.396 -9.540 1.00 74.13 C ATOM 636 CD2 PHE A 40 2.046 -1.270 -7.426 1.00 60.42 C ATOM 637 CE1 PHE A 40 1.034 -2.774 -9.511 1.00 24.12 C ATOM 638 CE2 PHE A 40 2.145 -2.644 -7.402 1.00 33.20 C ATOM 639 CZ PHE A 40 1.640 -3.394 -8.443 1.00 63.14 C ATOM 0 H PHE A 40 4.015 1.432 -7.762 1.00 5.25 H new ATOM 0 HA PHE A 40 2.501 1.285 -10.330 1.00 32.12 H new ATOM 0 HB2 PHE A 40 1.301 1.294 -7.536 1.00 62.51 H new ATOM 0 HB3 PHE A 40 0.442 1.199 -9.061 1.00 62.51 H new ATOM 0 HD1 PHE A 40 0.469 -0.914 -10.385 1.00 74.13 H new ATOM 0 HD2 PHE A 40 2.443 -0.691 -6.605 1.00 60.42 H new ATOM 0 HE1 PHE A 40 0.634 -3.362 -10.324 1.00 24.12 H new ATOM 0 HE2 PHE A 40 2.620 -3.135 -6.565 1.00 33.20 H new ATOM 0 HZ PHE A 40 1.720 -4.471 -8.420 1.00 63.14 H new ATOM 649 N PRO A 41 3.159 3.850 -10.108 1.00 12.43 N ATOM 650 CA PRO A 41 3.207 5.335 -10.054 1.00 63.23 C ATOM 651 C PRO A 41 1.834 5.973 -10.330 1.00 72.11 C ATOM 652 O PRO A 41 1.563 7.089 -9.893 1.00 60.43 O ATOM 653 CB PRO A 41 4.238 5.688 -11.152 1.00 72.15 C ATOM 654 CG PRO A 41 4.149 4.561 -12.141 1.00 74.01 C ATOM 655 CD PRO A 41 3.862 3.321 -11.321 1.00 61.20 C ATOM 0 HA PRO A 41 3.481 5.714 -9.069 1.00 63.23 H new ATOM 0 HB2 PRO A 41 4.005 6.644 -11.620 1.00 72.15 H new ATOM 0 HB3 PRO A 41 5.243 5.772 -10.738 1.00 72.15 H new ATOM 0 HG2 PRO A 41 3.359 4.741 -12.870 1.00 74.01 H new ATOM 0 HG3 PRO A 41 5.079 4.455 -12.699 1.00 74.01 H new ATOM 0 HD2 PRO A 41 3.238 2.615 -11.869 1.00 61.20 H new ATOM 0 HD3 PRO A 41 4.779 2.796 -11.055 1.00 61.20 H new ATOM 663 N THR A 42 0.983 5.234 -11.060 1.00 15.43 N ATOM 664 CA THR A 42 -0.356 5.669 -11.476 1.00 64.41 C ATOM 665 C THR A 42 -1.412 4.620 -11.037 1.00 3.33 C ATOM 666 O THR A 42 -1.088 3.422 -10.920 1.00 61.02 O ATOM 667 CB THR A 42 -0.408 5.850 -13.032 1.00 3.32 C ATOM 668 OG1 THR A 42 -0.049 4.621 -13.679 1.00 15.21 O ATOM 669 CG2 THR A 42 0.520 6.978 -13.524 1.00 14.03 C ATOM 0 H THR A 42 1.215 4.295 -11.384 1.00 15.43 H new ATOM 0 HA THR A 42 -0.577 6.624 -11.000 1.00 64.41 H new ATOM 0 HB THR A 42 -1.430 6.127 -13.289 1.00 3.32 H new ATOM 0 HG1 THR A 42 -0.085 4.740 -14.651 1.00 15.21 H new ATOM 0 HG21 THR A 42 0.447 7.062 -14.608 1.00 14.03 H new ATOM 0 HG22 THR A 42 0.221 7.921 -13.066 1.00 14.03 H new ATOM 0 HG23 THR A 42 1.549 6.750 -13.246 1.00 14.03 H new ATOM 677 N PRO A 43 -2.700 5.047 -10.789 1.00 54.02 N ATOM 678 CA PRO A 43 -3.822 4.109 -10.512 1.00 52.31 C ATOM 679 C PRO A 43 -4.116 3.156 -11.693 1.00 75.43 C ATOM 680 O PRO A 43 -4.665 2.067 -11.495 1.00 11.33 O ATOM 681 CB PRO A 43 -5.027 5.048 -10.224 1.00 22.12 C ATOM 682 CG PRO A 43 -4.411 6.379 -9.883 1.00 70.24 C ATOM 683 CD PRO A 43 -3.155 6.466 -10.719 1.00 1.12 C ATOM 0 HA PRO A 43 -3.593 3.439 -9.683 1.00 52.31 H new ATOM 0 HB2 PRO A 43 -5.682 5.127 -11.092 1.00 22.12 H new ATOM 0 HB3 PRO A 43 -5.633 4.671 -9.400 1.00 22.12 H new ATOM 0 HG2 PRO A 43 -5.093 7.198 -10.112 1.00 70.24 H new ATOM 0 HG3 PRO A 43 -4.180 6.444 -8.820 1.00 70.24 H new ATOM 0 HD2 PRO A 43 -3.357 6.875 -11.709 1.00 1.12 H new ATOM 0 HD3 PRO A 43 -2.406 7.108 -10.256 1.00 1.12 H new ATOM 691 N ALA A 44 -3.734 3.579 -12.915 1.00 25.35 N ATOM 692 CA ALA A 44 -3.927 2.793 -14.149 1.00 43.40 C ATOM 693 C ALA A 44 -2.992 1.567 -14.184 1.00 42.53 C ATOM 694 O ALA A 44 -3.380 0.499 -14.664 1.00 34.43 O ATOM 695 CB ALA A 44 -3.700 3.684 -15.376 1.00 72.42 C ATOM 0 H ALA A 44 -3.281 4.479 -13.074 1.00 25.35 H new ATOM 0 HA ALA A 44 -4.952 2.424 -14.164 1.00 43.40 H new ATOM 0 HB1 ALA A 44 -3.844 3.097 -16.283 1.00 72.42 H new ATOM 0 HB2 ALA A 44 -4.410 4.511 -15.362 1.00 72.42 H new ATOM 0 HB3 ALA A 44 -2.684 4.078 -15.356 1.00 72.42 H new ATOM 701 N ALA A 45 -1.761 1.736 -13.657 1.00 32.20 N ATOM 702 CA ALA A 45 -0.750 0.654 -13.567 1.00 53.54 C ATOM 703 C ALA A 45 -1.151 -0.431 -12.544 1.00 71.30 C ATOM 704 O ALA A 45 -0.644 -1.561 -12.592 1.00 32.13 O ATOM 705 CB ALA A 45 0.617 1.258 -13.186 1.00 30.30 C ATOM 0 H ALA A 45 -1.437 2.627 -13.281 1.00 32.20 H new ATOM 0 HA ALA A 45 -0.687 0.173 -14.543 1.00 53.54 H new ATOM 0 HB1 ALA A 45 1.360 0.463 -13.120 1.00 30.30 H new ATOM 0 HB2 ALA A 45 0.922 1.977 -13.946 1.00 30.30 H new ATOM 0 HB3 ALA A 45 0.537 1.761 -12.222 1.00 30.30 H new ATOM 711 N ALA A 46 -2.072 -0.077 -11.633 1.00 4.35 N ATOM 712 CA ALA A 46 -2.437 -0.895 -10.466 1.00 22.35 C ATOM 713 C ALA A 46 -3.262 -2.147 -10.799 1.00 24.41 C ATOM 714 O ALA A 46 -3.402 -3.003 -9.930 1.00 44.42 O ATOM 715 CB ALA A 46 -3.180 -0.020 -9.454 1.00 53.42 C ATOM 0 H ALA A 46 -2.592 0.799 -11.688 1.00 4.35 H new ATOM 0 HA ALA A 46 -1.504 -1.272 -10.046 1.00 22.35 H new ATOM 0 HB1 ALA A 46 -3.454 -0.620 -8.586 1.00 53.42 H new ATOM 0 HB2 ALA A 46 -2.535 0.800 -9.139 1.00 53.42 H new ATOM 0 HB3 ALA A 46 -4.081 0.384 -9.915 1.00 53.42 H new ATOM 721 N PHE A 47 -3.783 -2.262 -12.047 1.00 73.24 N ATOM 722 CA PHE A 47 -4.673 -3.387 -12.467 1.00 54.34 C ATOM 723 C PHE A 47 -4.022 -4.772 -12.238 1.00 1.14 C ATOM 724 O PHE A 47 -4.714 -5.757 -11.987 1.00 23.03 O ATOM 725 CB PHE A 47 -5.100 -3.233 -13.961 1.00 74.33 C ATOM 726 CG PHE A 47 -3.998 -3.519 -14.990 1.00 64.12 C ATOM 727 CD1 PHE A 47 -2.946 -2.627 -15.187 1.00 34.35 C ATOM 728 CD2 PHE A 47 -4.019 -4.691 -15.758 1.00 52.14 C ATOM 729 CE1 PHE A 47 -1.953 -2.893 -16.109 1.00 61.01 C ATOM 730 CE2 PHE A 47 -3.026 -4.952 -16.680 1.00 32.31 C ATOM 731 CZ PHE A 47 -1.992 -4.053 -16.854 1.00 30.12 C ATOM 0 H PHE A 47 -3.603 -1.586 -12.789 1.00 73.24 H new ATOM 0 HA PHE A 47 -5.560 -3.335 -11.836 1.00 54.34 H new ATOM 0 HB2 PHE A 47 -5.937 -3.904 -14.154 1.00 74.33 H new ATOM 0 HB3 PHE A 47 -5.464 -2.217 -14.115 1.00 74.33 H new ATOM 0 HD1 PHE A 47 -2.907 -1.715 -14.610 1.00 34.35 H new ATOM 0 HD2 PHE A 47 -4.823 -5.400 -15.626 1.00 52.14 H new ATOM 0 HE1 PHE A 47 -1.144 -2.191 -16.247 1.00 61.01 H new ATOM 0 HE2 PHE A 47 -3.057 -5.859 -17.265 1.00 32.31 H new ATOM 0 HZ PHE A 47 -1.214 -4.259 -17.574 1.00 30.12 H new ATOM 741 N ARG A 48 -2.681 -4.808 -12.324 1.00 74.30 N ATOM 742 CA ARG A 48 -1.866 -6.024 -12.133 1.00 70.45 C ATOM 743 C ARG A 48 -2.075 -6.670 -10.753 1.00 34.12 C ATOM 744 O ARG A 48 -1.953 -7.891 -10.606 1.00 31.41 O ATOM 745 CB ARG A 48 -0.372 -5.664 -12.327 1.00 2.32 C ATOM 746 CG ARG A 48 -0.027 -5.182 -13.749 1.00 72.10 C ATOM 747 CD ARG A 48 1.420 -4.699 -13.862 1.00 41.02 C ATOM 748 NE ARG A 48 1.665 -3.480 -13.068 1.00 13.34 N ATOM 749 CZ ARG A 48 2.876 -3.019 -12.705 1.00 43.32 C ATOM 750 NH1 ARG A 48 3.992 -3.667 -13.033 1.00 75.50 N ATOM 751 NH2 ARG A 48 2.958 -1.891 -12.020 1.00 33.33 N ATOM 0 H ARG A 48 -2.122 -3.980 -12.532 1.00 74.30 H new ATOM 0 HA ARG A 48 -2.185 -6.757 -12.874 1.00 70.45 H new ATOM 0 HB2 ARG A 48 -0.100 -4.886 -11.614 1.00 2.32 H new ATOM 0 HB3 ARG A 48 0.236 -6.538 -12.092 1.00 2.32 H new ATOM 0 HG2 ARG A 48 -0.193 -5.995 -14.456 1.00 72.10 H new ATOM 0 HG3 ARG A 48 -0.701 -4.373 -14.030 1.00 72.10 H new ATOM 0 HD2 ARG A 48 2.092 -5.489 -13.528 1.00 41.02 H new ATOM 0 HD3 ARG A 48 1.655 -4.502 -14.908 1.00 41.02 H new ATOM 0 HE ARG A 48 0.851 -2.943 -12.770 1.00 13.34 H new ATOM 0 HH11 ARG A 48 3.940 -4.532 -13.571 1.00 75.50 H new ATOM 0 HH12 ARG A 48 4.899 -3.298 -12.747 1.00 75.50 H new ATOM 0 HH21 ARG A 48 2.110 -1.381 -11.773 1.00 33.33 H new ATOM 0 HH22 ARG A 48 3.870 -1.530 -11.739 1.00 33.33 H new ATOM 765 N SER A 49 -2.393 -5.836 -9.756 1.00 70.22 N ATOM 766 CA SER A 49 -2.501 -6.246 -8.360 1.00 63.12 C ATOM 767 C SER A 49 -3.822 -5.720 -7.760 1.00 70.12 C ATOM 768 O SER A 49 -4.012 -4.503 -7.686 1.00 13.11 O ATOM 769 CB SER A 49 -1.299 -5.690 -7.587 1.00 63.33 C ATOM 770 OG SER A 49 -0.078 -5.987 -8.248 1.00 53.31 O ATOM 0 H SER A 49 -2.584 -4.845 -9.903 1.00 70.22 H new ATOM 0 HA SER A 49 -2.503 -7.334 -8.289 1.00 63.12 H new ATOM 0 HB2 SER A 49 -1.402 -4.610 -7.477 1.00 63.33 H new ATOM 0 HB3 SER A 49 -1.283 -6.112 -6.582 1.00 63.33 H new ATOM 0 HG SER A 49 0.241 -5.190 -8.721 1.00 53.31 H new ATOM 776 N PRO A 50 -4.754 -6.625 -7.320 1.00 32.14 N ATOM 777 CA PRO A 50 -6.052 -6.229 -6.721 1.00 22.44 C ATOM 778 C PRO A 50 -5.878 -5.328 -5.488 1.00 2.24 C ATOM 779 O PRO A 50 -6.637 -4.375 -5.323 1.00 3.24 O ATOM 780 CB PRO A 50 -6.732 -7.577 -6.351 1.00 20.24 C ATOM 781 CG PRO A 50 -5.630 -8.591 -6.379 1.00 45.50 C ATOM 782 CD PRO A 50 -4.629 -8.098 -7.395 1.00 63.52 C ATOM 0 HA PRO A 50 -6.650 -5.634 -7.412 1.00 22.44 H new ATOM 0 HB2 PRO A 50 -7.197 -7.527 -5.366 1.00 20.24 H new ATOM 0 HB3 PRO A 50 -7.519 -7.830 -7.062 1.00 20.24 H new ATOM 0 HG2 PRO A 50 -5.169 -8.692 -5.396 1.00 45.50 H new ATOM 0 HG3 PRO A 50 -6.012 -9.574 -6.655 1.00 45.50 H new ATOM 0 HD2 PRO A 50 -3.618 -8.427 -7.154 1.00 63.52 H new ATOM 0 HD3 PRO A 50 -4.856 -8.469 -8.394 1.00 63.52 H new ATOM 790 N LEU A 51 -4.831 -5.596 -4.673 1.00 13.31 N ATOM 791 CA LEU A 51 -4.571 -4.829 -3.443 1.00 33.42 C ATOM 792 C LEU A 51 -4.092 -3.410 -3.787 1.00 63.14 C ATOM 793 O LEU A 51 -4.509 -2.451 -3.137 1.00 63.22 O ATOM 794 CB LEU A 51 -3.538 -5.545 -2.529 1.00 40.03 C ATOM 795 CG LEU A 51 -3.255 -4.857 -1.148 1.00 44.21 C ATOM 796 CD1 LEU A 51 -4.549 -4.664 -0.325 1.00 35.04 C ATOM 797 CD2 LEU A 51 -2.204 -5.641 -0.338 1.00 0.14 C ATOM 0 H LEU A 51 -4.155 -6.339 -4.850 1.00 13.31 H new ATOM 0 HA LEU A 51 -5.508 -4.761 -2.891 1.00 33.42 H new ATOM 0 HB2 LEU A 51 -3.888 -6.560 -2.343 1.00 40.03 H new ATOM 0 HB3 LEU A 51 -2.597 -5.627 -3.072 1.00 40.03 H new ATOM 0 HG LEU A 51 -2.851 -3.867 -1.362 1.00 44.21 H new ATOM 0 HD11 LEU A 51 -4.309 -4.184 0.624 1.00 35.04 H new ATOM 0 HD12 LEU A 51 -5.245 -4.037 -0.883 1.00 35.04 H new ATOM 0 HD13 LEU A 51 -5.008 -5.634 -0.135 1.00 35.04 H new ATOM 0 HD21 LEU A 51 -2.030 -5.139 0.614 1.00 0.14 H new ATOM 0 HD22 LEU A 51 -2.567 -6.652 -0.154 1.00 0.14 H new ATOM 0 HD23 LEU A 51 -1.271 -5.687 -0.900 1.00 0.14 H new ATOM 809 N ALA A 52 -3.248 -3.289 -4.837 1.00 20.24 N ATOM 810 CA ALA A 52 -2.769 -1.981 -5.331 1.00 75.05 C ATOM 811 C ALA A 52 -3.955 -1.113 -5.783 1.00 42.50 C ATOM 812 O ALA A 52 -4.028 0.067 -5.431 1.00 21.31 O ATOM 813 CB ALA A 52 -1.768 -2.168 -6.479 1.00 53.10 C ATOM 0 H ALA A 52 -2.884 -4.086 -5.359 1.00 20.24 H new ATOM 0 HA ALA A 52 -2.258 -1.471 -4.515 1.00 75.05 H new ATOM 0 HB1 ALA A 52 -1.428 -1.193 -6.828 1.00 53.10 H new ATOM 0 HB2 ALA A 52 -0.913 -2.745 -6.126 1.00 53.10 H new ATOM 0 HB3 ALA A 52 -2.251 -2.699 -7.300 1.00 53.10 H new ATOM 819 N ARG A 53 -4.910 -1.748 -6.507 1.00 34.42 N ATOM 820 CA ARG A 53 -6.171 -1.100 -6.934 1.00 32.24 C ATOM 821 C ARG A 53 -6.957 -0.569 -5.720 1.00 63.41 C ATOM 822 O ARG A 53 -7.372 0.591 -5.705 1.00 64.52 O ATOM 823 CB ARG A 53 -7.081 -2.088 -7.706 1.00 1.41 C ATOM 824 CG ARG A 53 -6.513 -2.643 -9.024 1.00 15.25 C ATOM 825 CD ARG A 53 -7.544 -3.510 -9.771 1.00 61.02 C ATOM 826 NE ARG A 53 -8.760 -2.748 -10.105 1.00 12.30 N ATOM 827 CZ ARG A 53 -9.950 -3.271 -10.462 1.00 51.23 C ATOM 828 NH1 ARG A 53 -10.133 -4.588 -10.552 1.00 21.23 N ATOM 829 NH2 ARG A 53 -10.956 -2.452 -10.718 1.00 51.44 N ATOM 0 H ARG A 53 -4.827 -2.719 -6.809 1.00 34.42 H new ATOM 0 HA ARG A 53 -5.893 -0.273 -7.588 1.00 32.24 H new ATOM 0 HB2 ARG A 53 -7.309 -2.928 -7.050 1.00 1.41 H new ATOM 0 HB3 ARG A 53 -8.025 -1.587 -7.923 1.00 1.41 H new ATOM 0 HG2 ARG A 53 -6.203 -1.816 -9.663 1.00 15.25 H new ATOM 0 HG3 ARG A 53 -5.623 -3.236 -8.815 1.00 15.25 H new ATOM 0 HD2 ARG A 53 -7.097 -3.900 -10.685 1.00 61.02 H new ATOM 0 HD3 ARG A 53 -7.811 -4.369 -9.155 1.00 61.02 H new ATOM 0 HE ARG A 53 -8.695 -1.731 -10.062 1.00 12.30 H new ATOM 0 HH11 ARG A 53 -9.363 -5.225 -10.349 1.00 21.23 H new ATOM 0 HH12 ARG A 53 -11.043 -4.959 -10.824 1.00 21.23 H new ATOM 0 HH21 ARG A 53 -10.824 -1.443 -10.644 1.00 51.44 H new ATOM 0 HH22 ARG A 53 -11.864 -2.829 -10.990 1.00 51.44 H new ATOM 843 N GLN A 54 -7.084 -1.430 -4.686 1.00 0.43 N ATOM 844 CA GLN A 54 -7.881 -1.149 -3.476 1.00 41.43 C ATOM 845 C GLN A 54 -7.288 0.025 -2.679 1.00 73.24 C ATOM 846 O GLN A 54 -8.026 0.807 -2.066 1.00 3.32 O ATOM 847 CB GLN A 54 -7.964 -2.415 -2.581 1.00 42.13 C ATOM 848 CG GLN A 54 -8.767 -3.581 -3.186 1.00 15.22 C ATOM 849 CD GLN A 54 -8.777 -4.843 -2.311 1.00 33.15 C ATOM 850 OE1 GLN A 54 -7.851 -5.090 -1.539 1.00 63.54 O ATOM 851 NE2 GLN A 54 -9.816 -5.656 -2.439 1.00 54.33 N ATOM 0 H GLN A 54 -6.633 -2.345 -4.670 1.00 0.43 H new ATOM 0 HA GLN A 54 -8.886 -0.870 -3.793 1.00 41.43 H new ATOM 0 HB2 GLN A 54 -6.952 -2.760 -2.369 1.00 42.13 H new ATOM 0 HB3 GLN A 54 -8.413 -2.140 -1.627 1.00 42.13 H new ATOM 0 HG2 GLN A 54 -9.794 -3.256 -3.351 1.00 15.22 H new ATOM 0 HG3 GLN A 54 -8.350 -3.830 -4.162 1.00 15.22 H new ATOM 0 HE21 GLN A 54 -10.568 -5.424 -3.087 1.00 54.33 H new ATOM 0 HE22 GLN A 54 -9.863 -6.514 -1.889 1.00 54.33 H new ATOM 860 N LEU A 55 -5.948 0.140 -2.710 1.00 5.52 N ATOM 861 CA LEU A 55 -5.219 1.248 -2.072 1.00 63.32 C ATOM 862 C LEU A 55 -5.441 2.561 -2.848 1.00 71.15 C ATOM 863 O LEU A 55 -5.607 3.607 -2.246 1.00 4.33 O ATOM 864 CB LEU A 55 -3.712 0.907 -1.941 1.00 75.23 C ATOM 865 CG LEU A 55 -3.369 -0.326 -1.040 1.00 43.32 C ATOM 866 CD1 LEU A 55 -1.860 -0.640 -1.071 1.00 44.11 C ATOM 867 CD2 LEU A 55 -3.874 -0.122 0.410 1.00 71.31 C ATOM 0 H LEU A 55 -5.341 -0.533 -3.178 1.00 5.52 H new ATOM 0 HA LEU A 55 -5.612 1.391 -1.065 1.00 63.32 H new ATOM 0 HB2 LEU A 55 -3.311 0.727 -2.939 1.00 75.23 H new ATOM 0 HB3 LEU A 55 -3.195 1.780 -1.542 1.00 75.23 H new ATOM 0 HG LEU A 55 -3.892 -1.190 -1.451 1.00 43.32 H new ATOM 0 HD11 LEU A 55 -1.654 -1.501 -0.435 1.00 44.11 H new ATOM 0 HD12 LEU A 55 -1.556 -0.863 -2.094 1.00 44.11 H new ATOM 0 HD13 LEU A 55 -1.301 0.222 -0.706 1.00 44.11 H new ATOM 0 HD21 LEU A 55 -3.620 -0.996 1.010 1.00 71.31 H new ATOM 0 HD22 LEU A 55 -3.402 0.762 0.839 1.00 71.31 H new ATOM 0 HD23 LEU A 55 -4.956 0.012 0.403 1.00 71.31 H new ATOM 879 N PHE A 56 -5.492 2.487 -4.188 1.00 24.34 N ATOM 880 CA PHE A 56 -5.805 3.662 -5.045 1.00 64.11 C ATOM 881 C PHE A 56 -7.301 4.047 -4.991 1.00 74.04 C ATOM 882 O PHE A 56 -7.690 5.090 -5.521 1.00 70.35 O ATOM 883 CB PHE A 56 -5.366 3.405 -6.510 1.00 32.40 C ATOM 884 CG PHE A 56 -3.867 3.556 -6.752 1.00 24.31 C ATOM 885 CD1 PHE A 56 -3.276 4.813 -6.722 1.00 61.44 C ATOM 886 CD2 PHE A 56 -3.062 2.463 -7.046 1.00 1.25 C ATOM 887 CE1 PHE A 56 -1.934 4.965 -6.978 1.00 61.20 C ATOM 888 CE2 PHE A 56 -1.718 2.615 -7.296 1.00 21.00 C ATOM 889 CZ PHE A 56 -1.154 3.866 -7.265 1.00 3.32 C ATOM 0 H PHE A 56 -5.321 1.628 -4.710 1.00 24.34 H new ATOM 0 HA PHE A 56 -5.239 4.504 -4.647 1.00 64.11 H new ATOM 0 HB2 PHE A 56 -5.669 2.398 -6.796 1.00 32.40 H new ATOM 0 HB3 PHE A 56 -5.899 4.096 -7.163 1.00 32.40 H new ATOM 0 HD1 PHE A 56 -3.878 5.681 -6.495 1.00 61.44 H new ATOM 0 HD2 PHE A 56 -3.499 1.476 -7.079 1.00 1.25 H new ATOM 0 HE1 PHE A 56 -1.490 5.949 -6.954 1.00 61.20 H new ATOM 0 HE2 PHE A 56 -1.108 1.752 -7.516 1.00 21.00 H new ATOM 0 HZ PHE A 56 -0.100 3.989 -7.465 1.00 3.32 H new ATOM 899 N ARG A 57 -8.140 3.192 -4.386 1.00 32.42 N ATOM 900 CA ARG A 57 -9.550 3.537 -4.092 1.00 75.32 C ATOM 901 C ARG A 57 -9.648 4.383 -2.802 1.00 12.11 C ATOM 902 O ARG A 57 -10.697 4.975 -2.526 1.00 63.45 O ATOM 903 CB ARG A 57 -10.425 2.266 -3.977 1.00 62.11 C ATOM 904 CG ARG A 57 -10.437 1.388 -5.251 1.00 64.13 C ATOM 905 CD ARG A 57 -11.403 0.195 -5.153 1.00 22.11 C ATOM 906 NE ARG A 57 -12.815 0.616 -5.200 1.00 71.23 N ATOM 907 CZ ARG A 57 -13.822 0.083 -4.488 1.00 24.52 C ATOM 908 NH1 ARG A 57 -13.621 -0.917 -3.637 1.00 40.32 N ATOM 909 NH2 ARG A 57 -15.055 0.545 -4.663 1.00 33.32 N ATOM 0 H ARG A 57 -7.871 2.254 -4.088 1.00 32.42 H new ATOM 0 HA ARG A 57 -9.928 4.131 -4.924 1.00 75.32 H new ATOM 0 HB2 ARG A 57 -10.068 1.667 -3.140 1.00 62.11 H new ATOM 0 HB3 ARG A 57 -11.448 2.562 -3.744 1.00 62.11 H new ATOM 0 HG2 ARG A 57 -10.715 2.004 -6.107 1.00 64.13 H new ATOM 0 HG3 ARG A 57 -9.429 1.017 -5.439 1.00 64.13 H new ATOM 0 HD2 ARG A 57 -11.205 -0.499 -5.970 1.00 22.11 H new ATOM 0 HD3 ARG A 57 -11.217 -0.345 -4.225 1.00 22.11 H new ATOM 0 HE ARG A 57 -13.049 1.382 -5.831 1.00 71.23 H new ATOM 0 HH11 ARG A 57 -12.684 -1.299 -3.511 1.00 40.32 H new ATOM 0 HH12 ARG A 57 -14.404 -1.303 -3.109 1.00 40.32 H new ATOM 0 HH21 ARG A 57 -15.228 1.296 -5.332 1.00 33.32 H new ATOM 0 HH22 ARG A 57 -15.829 0.149 -4.129 1.00 33.32 H new ATOM 923 N ILE A 58 -8.544 4.443 -2.036 1.00 52.21 N ATOM 924 CA ILE A 58 -8.437 5.252 -0.811 1.00 73.40 C ATOM 925 C ILE A 58 -8.061 6.684 -1.223 1.00 13.13 C ATOM 926 O ILE A 58 -6.960 6.903 -1.739 1.00 43.54 O ATOM 927 CB ILE A 58 -7.349 4.659 0.174 1.00 33.33 C ATOM 928 CG1 ILE A 58 -7.715 3.190 0.569 1.00 72.21 C ATOM 929 CG2 ILE A 58 -7.154 5.559 1.423 1.00 12.00 C ATOM 930 CD1 ILE A 58 -6.632 2.436 1.322 1.00 52.50 C ATOM 0 H ILE A 58 -7.693 3.925 -2.253 1.00 52.21 H new ATOM 0 HA ILE A 58 -9.389 5.244 -0.281 1.00 73.40 H new ATOM 0 HB ILE A 58 -6.393 4.640 -0.349 1.00 33.33 H new ATOM 0 HG12 ILE A 58 -8.616 3.209 1.182 1.00 72.21 H new ATOM 0 HG13 ILE A 58 -7.958 2.636 -0.338 1.00 72.21 H new ATOM 0 HG21 ILE A 58 -6.400 5.118 2.075 1.00 12.00 H new ATOM 0 HG22 ILE A 58 -6.828 6.551 1.110 1.00 12.00 H new ATOM 0 HG23 ILE A 58 -8.097 5.641 1.963 1.00 12.00 H new ATOM 0 HD11 ILE A 58 -6.981 1.429 1.550 1.00 52.50 H new ATOM 0 HD12 ILE A 58 -5.734 2.378 0.707 1.00 52.50 H new ATOM 0 HD13 ILE A 58 -6.402 2.959 2.250 1.00 52.50 H new ATOM 942 N GLU A 59 -8.983 7.634 -0.987 1.00 12.24 N ATOM 943 CA GLU A 59 -8.831 9.041 -1.392 1.00 63.12 C ATOM 944 C GLU A 59 -7.679 9.683 -0.604 1.00 5.04 C ATOM 945 O GLU A 59 -7.841 10.064 0.563 1.00 13.01 O ATOM 946 CB GLU A 59 -10.155 9.818 -1.166 1.00 21.13 C ATOM 947 CG GLU A 59 -11.334 9.325 -2.026 1.00 42.54 C ATOM 948 CD GLU A 59 -12.656 10.008 -1.661 1.00 64.00 C ATOM 949 OE1 GLU A 59 -13.326 9.535 -0.712 1.00 13.33 O ATOM 950 OE2 GLU A 59 -13.030 11.017 -2.302 1.00 21.13 O ATOM 0 H GLU A 59 -9.862 7.444 -0.506 1.00 12.24 H new ATOM 0 HA GLU A 59 -8.596 9.083 -2.455 1.00 63.12 H new ATOM 0 HB2 GLU A 59 -10.431 9.743 -0.114 1.00 21.13 H new ATOM 0 HB3 GLU A 59 -9.984 10.874 -1.376 1.00 21.13 H new ATOM 0 HG2 GLU A 59 -11.113 9.508 -3.078 1.00 42.54 H new ATOM 0 HG3 GLU A 59 -11.441 8.247 -1.905 1.00 42.54 H new ATOM 957 N GLY A 60 -6.511 9.724 -1.241 1.00 61.11 N ATOM 958 CA GLY A 60 -5.311 10.275 -0.642 1.00 2.42 C ATOM 959 C GLY A 60 -4.052 9.609 -1.158 1.00 33.52 C ATOM 960 O GLY A 60 -2.989 10.205 -1.111 1.00 33.51 O ATOM 0 H GLY A 60 -6.376 9.374 -2.189 1.00 61.11 H new ATOM 0 HA2 GLY A 60 -5.264 11.344 -0.847 1.00 2.42 H new ATOM 0 HA3 GLY A 60 -5.362 10.160 0.441 1.00 2.42 H new ATOM 964 N VAL A 61 -4.174 8.358 -1.630 1.00 51.32 N ATOM 965 CA VAL A 61 -3.035 7.576 -2.125 1.00 14.45 C ATOM 966 C VAL A 61 -2.601 8.073 -3.519 1.00 24.05 C ATOM 967 O VAL A 61 -3.330 7.922 -4.500 1.00 34.42 O ATOM 968 CB VAL A 61 -3.383 6.041 -2.158 1.00 62.13 C ATOM 969 CG1 VAL A 61 -2.267 5.204 -2.821 1.00 12.44 C ATOM 970 CG2 VAL A 61 -3.682 5.530 -0.728 1.00 40.54 C ATOM 0 H VAL A 61 -5.064 7.863 -1.678 1.00 51.32 H new ATOM 0 HA VAL A 61 -2.199 7.716 -1.439 1.00 14.45 H new ATOM 0 HB VAL A 61 -4.276 5.919 -2.771 1.00 62.13 H new ATOM 0 HG11 VAL A 61 -2.552 4.152 -2.821 1.00 12.44 H new ATOM 0 HG12 VAL A 61 -2.121 5.540 -3.848 1.00 12.44 H new ATOM 0 HG13 VAL A 61 -1.339 5.329 -2.263 1.00 12.44 H new ATOM 0 HG21 VAL A 61 -3.921 4.467 -0.764 1.00 40.54 H new ATOM 0 HG22 VAL A 61 -2.807 5.684 -0.096 1.00 40.54 H new ATOM 0 HG23 VAL A 61 -4.529 6.079 -0.315 1.00 40.54 H new ATOM 980 N LYS A 62 -1.413 8.678 -3.575 1.00 72.43 N ATOM 981 CA LYS A 62 -0.806 9.157 -4.824 1.00 62.33 C ATOM 982 C LYS A 62 -0.239 7.977 -5.626 1.00 12.34 C ATOM 983 O LYS A 62 -0.481 7.857 -6.832 1.00 4.24 O ATOM 984 CB LYS A 62 0.316 10.180 -4.514 1.00 11.44 C ATOM 985 CG LYS A 62 0.887 10.916 -5.745 1.00 15.43 C ATOM 986 CD LYS A 62 -0.191 11.761 -6.457 1.00 34.23 C ATOM 987 CE LYS A 62 0.303 12.440 -7.739 1.00 72.41 C ATOM 988 NZ LYS A 62 -0.828 13.051 -8.496 1.00 54.05 N ATOM 0 H LYS A 62 -0.839 8.852 -2.750 1.00 72.43 H new ATOM 0 HA LYS A 62 -1.575 9.648 -5.421 1.00 62.33 H new ATOM 0 HB2 LYS A 62 -0.072 10.921 -3.814 1.00 11.44 H new ATOM 0 HB3 LYS A 62 1.131 9.661 -4.010 1.00 11.44 H new ATOM 0 HG2 LYS A 62 1.709 11.561 -5.434 1.00 15.43 H new ATOM 0 HG3 LYS A 62 1.300 10.189 -6.444 1.00 15.43 H new ATOM 0 HD2 LYS A 62 -1.039 11.121 -6.700 1.00 34.23 H new ATOM 0 HD3 LYS A 62 -0.554 12.525 -5.769 1.00 34.23 H new ATOM 0 HE2 LYS A 62 1.034 13.209 -7.488 1.00 72.41 H new ATOM 0 HE3 LYS A 62 0.812 11.709 -8.368 1.00 72.41 H new ATOM 0 HZ1 LYS A 62 -0.464 13.503 -9.359 1.00 54.05 H new ATOM 0 HZ2 LYS A 62 -1.512 12.312 -8.755 1.00 54.05 H new ATOM 0 HZ3 LYS A 62 -1.297 13.765 -7.903 1.00 54.05 H new ATOM 1002 N SER A 63 0.507 7.103 -4.931 1.00 70.53 N ATOM 1003 CA SER A 63 1.223 5.970 -5.550 1.00 0.34 C ATOM 1004 C SER A 63 1.342 4.804 -4.555 1.00 62.43 C ATOM 1005 O SER A 63 1.198 4.990 -3.343 1.00 50.42 O ATOM 1006 CB SER A 63 2.620 6.413 -6.052 1.00 74.30 C ATOM 1007 OG SER A 63 2.515 7.452 -7.018 1.00 75.41 O ATOM 0 H SER A 63 0.632 7.160 -3.920 1.00 70.53 H new ATOM 0 HA SER A 63 0.650 5.628 -6.411 1.00 0.34 H new ATOM 0 HB2 SER A 63 3.220 6.756 -5.209 1.00 74.30 H new ATOM 0 HB3 SER A 63 3.140 5.560 -6.487 1.00 74.30 H new ATOM 0 HG SER A 63 2.187 7.081 -7.864 1.00 75.41 H new ATOM 1013 N VAL A 64 1.582 3.594 -5.089 1.00 61.21 N ATOM 1014 CA VAL A 64 1.792 2.363 -4.296 1.00 72.23 C ATOM 1015 C VAL A 64 3.063 1.664 -4.787 1.00 41.23 C ATOM 1016 O VAL A 64 3.341 1.641 -5.979 1.00 5.13 O ATOM 1017 CB VAL A 64 0.560 1.367 -4.406 1.00 11.11 C ATOM 1018 CG1 VAL A 64 0.839 0.010 -3.714 1.00 51.03 C ATOM 1019 CG2 VAL A 64 -0.723 2.007 -3.837 1.00 70.24 C ATOM 0 H VAL A 64 1.637 3.438 -6.095 1.00 61.21 H new ATOM 0 HA VAL A 64 1.891 2.647 -3.248 1.00 72.23 H new ATOM 0 HB VAL A 64 0.411 1.168 -5.467 1.00 11.11 H new ATOM 0 HG11 VAL A 64 -0.033 -0.637 -3.816 1.00 51.03 H new ATOM 0 HG12 VAL A 64 1.701 -0.466 -4.181 1.00 51.03 H new ATOM 0 HG13 VAL A 64 1.045 0.176 -2.657 1.00 51.03 H new ATOM 0 HG21 VAL A 64 -1.551 1.303 -3.925 1.00 70.24 H new ATOM 0 HG22 VAL A 64 -0.570 2.258 -2.787 1.00 70.24 H new ATOM 0 HG23 VAL A 64 -0.956 2.913 -4.396 1.00 70.24 H new ATOM 1029 N PHE A 65 3.845 1.127 -3.854 1.00 62.14 N ATOM 1030 CA PHE A 65 5.021 0.303 -4.152 1.00 44.24 C ATOM 1031 C PHE A 65 4.956 -0.965 -3.296 1.00 72.05 C ATOM 1032 O PHE A 65 4.732 -0.885 -2.093 1.00 43.03 O ATOM 1033 CB PHE A 65 6.327 1.099 -3.868 1.00 63.30 C ATOM 1034 CG PHE A 65 7.613 0.283 -4.050 1.00 61.23 C ATOM 1035 CD1 PHE A 65 8.052 -0.080 -5.324 1.00 2.34 C ATOM 1036 CD2 PHE A 65 8.371 -0.137 -2.949 1.00 13.11 C ATOM 1037 CE1 PHE A 65 9.201 -0.825 -5.495 1.00 71.10 C ATOM 1038 CE2 PHE A 65 9.519 -0.886 -3.123 1.00 1.34 C ATOM 1039 CZ PHE A 65 9.933 -1.228 -4.394 1.00 74.22 C ATOM 0 H PHE A 65 3.680 1.252 -2.855 1.00 62.14 H new ATOM 0 HA PHE A 65 5.026 0.029 -5.207 1.00 44.24 H new ATOM 0 HB2 PHE A 65 6.363 1.965 -4.529 1.00 63.30 H new ATOM 0 HB3 PHE A 65 6.293 1.479 -2.847 1.00 63.30 H new ATOM 0 HD1 PHE A 65 7.484 0.227 -6.190 1.00 2.34 H new ATOM 0 HD2 PHE A 65 8.054 0.128 -1.951 1.00 13.11 H new ATOM 0 HE1 PHE A 65 9.528 -1.093 -6.489 1.00 71.10 H new ATOM 0 HE2 PHE A 65 10.092 -1.204 -2.264 1.00 1.34 H new ATOM 0 HZ PHE A 65 10.831 -1.812 -4.529 1.00 74.22 H new ATOM 1049 N PHE A 66 5.127 -2.132 -3.927 1.00 34.31 N ATOM 1050 CA PHE A 66 5.237 -3.412 -3.220 1.00 53.00 C ATOM 1051 C PHE A 66 6.712 -3.803 -3.077 1.00 42.30 C ATOM 1052 O PHE A 66 7.473 -3.800 -4.054 1.00 44.01 O ATOM 1053 CB PHE A 66 4.440 -4.526 -3.943 1.00 4.45 C ATOM 1054 CG PHE A 66 2.911 -4.382 -3.903 1.00 62.30 C ATOM 1055 CD1 PHE A 66 2.267 -3.651 -2.900 1.00 45.25 C ATOM 1056 CD2 PHE A 66 2.117 -4.995 -4.867 1.00 10.13 C ATOM 1057 CE1 PHE A 66 0.888 -3.537 -2.869 1.00 4.22 C ATOM 1058 CE2 PHE A 66 0.740 -4.876 -4.828 1.00 23.34 C ATOM 1059 CZ PHE A 66 0.126 -4.148 -3.832 1.00 31.05 C ATOM 0 H PHE A 66 5.193 -2.215 -4.941 1.00 34.31 H new ATOM 0 HA PHE A 66 4.804 -3.294 -2.227 1.00 53.00 H new ATOM 0 HB2 PHE A 66 4.757 -4.556 -4.985 1.00 4.45 H new ATOM 0 HB3 PHE A 66 4.708 -5.485 -3.500 1.00 4.45 H new ATOM 0 HD1 PHE A 66 2.856 -3.167 -2.136 1.00 45.25 H new ATOM 0 HD2 PHE A 66 2.581 -5.570 -5.654 1.00 10.13 H new ATOM 0 HE1 PHE A 66 0.411 -2.966 -2.086 1.00 4.22 H new ATOM 0 HE2 PHE A 66 0.140 -5.358 -5.585 1.00 23.34 H new ATOM 0 HZ PHE A 66 -0.950 -4.059 -3.810 1.00 31.05 H new ATOM 1069 N GLY A 67 7.074 -4.132 -1.842 1.00 12.11 N ATOM 1070 CA GLY A 67 8.423 -4.501 -1.437 1.00 3.12 C ATOM 1071 C GLY A 67 8.510 -5.970 -1.025 1.00 43.44 C ATOM 1072 O GLY A 67 7.499 -6.676 -1.085 1.00 71.13 O ATOM 0 H GLY A 67 6.410 -4.149 -1.068 1.00 12.11 H new ATOM 0 HA2 GLY A 67 9.114 -4.313 -2.259 1.00 3.12 H new ATOM 0 HA3 GLY A 67 8.738 -3.871 -0.605 1.00 3.12 H new ATOM 1076 N PRO A 68 9.716 -6.471 -0.607 1.00 0.15 N ATOM 1077 CA PRO A 68 9.899 -7.879 -0.153 1.00 20.33 C ATOM 1078 C PRO A 68 8.907 -8.296 0.957 1.00 24.13 C ATOM 1079 O PRO A 68 8.267 -9.342 0.847 1.00 24.13 O ATOM 1080 CB PRO A 68 11.368 -7.913 0.345 1.00 60.44 C ATOM 1081 CG PRO A 68 11.752 -6.470 0.532 1.00 51.01 C ATOM 1082 CD PRO A 68 10.992 -5.711 -0.526 1.00 3.41 C ATOM 0 HA PRO A 68 9.700 -8.591 -0.954 1.00 20.33 H new ATOM 0 HB2 PRO A 68 11.455 -8.468 1.279 1.00 60.44 H new ATOM 0 HB3 PRO A 68 12.019 -8.403 -0.379 1.00 60.44 H new ATOM 0 HG2 PRO A 68 11.490 -6.120 1.531 1.00 51.01 H new ATOM 0 HG3 PRO A 68 12.827 -6.332 0.418 1.00 51.01 H new ATOM 0 HD2 PRO A 68 10.829 -4.671 -0.242 1.00 3.41 H new ATOM 0 HD3 PRO A 68 11.521 -5.702 -1.479 1.00 3.41 H new ATOM 1090 N ASP A 69 8.759 -7.445 2.000 1.00 43.21 N ATOM 1091 CA ASP A 69 7.905 -7.756 3.177 1.00 15.24 C ATOM 1092 C ASP A 69 7.113 -6.509 3.634 1.00 42.23 C ATOM 1093 O ASP A 69 6.610 -6.449 4.761 1.00 3.30 O ATOM 1094 CB ASP A 69 8.802 -8.350 4.317 1.00 73.14 C ATOM 1095 CG ASP A 69 8.029 -8.893 5.551 1.00 11.35 C ATOM 1096 OD1 ASP A 69 7.302 -9.898 5.420 1.00 21.55 O ATOM 1097 OD2 ASP A 69 8.188 -8.338 6.674 1.00 71.23 O ATOM 0 H ASP A 69 9.219 -6.536 2.052 1.00 43.21 H new ATOM 0 HA ASP A 69 7.160 -8.504 2.905 1.00 15.24 H new ATOM 0 HB2 ASP A 69 9.403 -9.158 3.901 1.00 73.14 H new ATOM 0 HB3 ASP A 69 9.494 -7.578 4.653 1.00 73.14 H new ATOM 1102 N SER A 70 6.936 -5.525 2.726 1.00 13.44 N ATOM 1103 CA SER A 70 6.191 -4.288 3.057 1.00 61.44 C ATOM 1104 C SER A 70 5.566 -3.656 1.816 1.00 74.34 C ATOM 1105 O SER A 70 5.823 -4.081 0.700 1.00 10.22 O ATOM 1106 CB SER A 70 7.109 -3.264 3.758 1.00 74.31 C ATOM 1107 OG SER A 70 8.135 -2.822 2.894 1.00 44.45 O ATOM 0 H SER A 70 7.293 -5.560 1.771 1.00 13.44 H new ATOM 0 HA SER A 70 5.387 -4.571 3.737 1.00 61.44 H new ATOM 0 HB2 SER A 70 6.518 -2.411 4.092 1.00 74.31 H new ATOM 0 HB3 SER A 70 7.548 -3.715 4.648 1.00 74.31 H new ATOM 0 HG SER A 70 7.894 -1.949 2.520 1.00 44.45 H new ATOM 1113 N ILE A 71 4.717 -2.647 2.055 1.00 21.01 N ATOM 1114 CA ILE A 71 4.082 -1.818 1.017 1.00 51.30 C ATOM 1115 C ILE A 71 4.386 -0.345 1.329 1.00 14.24 C ATOM 1116 O ILE A 71 3.948 0.161 2.360 1.00 2.42 O ATOM 1117 CB ILE A 71 2.515 -2.028 0.989 1.00 22.42 C ATOM 1118 CG1 ILE A 71 2.172 -3.535 0.782 1.00 61.14 C ATOM 1119 CG2 ILE A 71 1.838 -1.134 -0.088 1.00 15.11 C ATOM 1120 CD1 ILE A 71 0.702 -3.875 0.890 1.00 64.13 C ATOM 0 H ILE A 71 4.445 -2.376 3.000 1.00 21.01 H new ATOM 0 HA ILE A 71 4.478 -2.106 0.043 1.00 51.30 H new ATOM 0 HB ILE A 71 2.114 -1.719 1.954 1.00 22.42 H new ATOM 0 HG12 ILE A 71 2.530 -3.842 -0.201 1.00 61.14 H new ATOM 0 HG13 ILE A 71 2.721 -4.122 1.519 1.00 61.14 H new ATOM 0 HG21 ILE A 71 0.762 -1.305 -0.078 1.00 15.11 H new ATOM 0 HG22 ILE A 71 2.041 -0.085 0.130 1.00 15.11 H new ATOM 0 HG23 ILE A 71 2.236 -1.384 -1.071 1.00 15.11 H new ATOM 0 HD11 ILE A 71 0.563 -4.944 0.731 1.00 64.13 H new ATOM 0 HD12 ILE A 71 0.338 -3.605 1.881 1.00 64.13 H new ATOM 0 HD13 ILE A 71 0.144 -3.321 0.135 1.00 64.13 H new ATOM 1132 N THR A 72 5.122 0.345 0.453 1.00 45.15 N ATOM 1133 CA THR A 72 5.427 1.764 0.629 1.00 10.35 C ATOM 1134 C THR A 72 4.377 2.575 -0.138 1.00 61.11 C ATOM 1135 O THR A 72 4.333 2.529 -1.371 1.00 23.02 O ATOM 1136 CB THR A 72 6.857 2.094 0.091 1.00 25.15 C ATOM 1137 OG1 THR A 72 7.792 1.151 0.634 1.00 52.45 O ATOM 1138 CG2 THR A 72 7.300 3.529 0.454 1.00 43.31 C ATOM 0 H THR A 72 5.520 -0.063 -0.393 1.00 45.15 H new ATOM 0 HA THR A 72 5.404 2.017 1.689 1.00 10.35 H new ATOM 0 HB THR A 72 6.830 2.025 -0.997 1.00 25.15 H new ATOM 0 HG1 THR A 72 8.691 1.352 0.299 1.00 52.45 H new ATOM 0 HG21 THR A 72 8.299 3.712 0.059 1.00 43.31 H new ATOM 0 HG22 THR A 72 6.602 4.246 0.021 1.00 43.31 H new ATOM 0 HG23 THR A 72 7.312 3.643 1.538 1.00 43.31 H new ATOM 1146 N VAL A 73 3.530 3.301 0.589 1.00 74.21 N ATOM 1147 CA VAL A 73 2.438 4.087 0.004 1.00 34.55 C ATOM 1148 C VAL A 73 2.869 5.558 -0.012 1.00 25.24 C ATOM 1149 O VAL A 73 3.501 6.025 0.932 1.00 41.33 O ATOM 1150 CB VAL A 73 1.099 3.916 0.829 1.00 61.22 C ATOM 1151 CG1 VAL A 73 -0.049 4.769 0.249 1.00 14.21 C ATOM 1152 CG2 VAL A 73 0.683 2.427 0.914 1.00 71.54 C ATOM 0 H VAL A 73 3.580 3.363 1.606 1.00 74.21 H new ATOM 0 HA VAL A 73 2.239 3.736 -1.008 1.00 34.55 H new ATOM 0 HB VAL A 73 1.298 4.276 1.838 1.00 61.22 H new ATOM 0 HG11 VAL A 73 -0.949 4.621 0.846 1.00 14.21 H new ATOM 0 HG12 VAL A 73 0.233 5.822 0.271 1.00 14.21 H new ATOM 0 HG13 VAL A 73 -0.242 4.467 -0.780 1.00 14.21 H new ATOM 0 HG21 VAL A 73 -0.240 2.339 1.487 1.00 71.54 H new ATOM 0 HG22 VAL A 73 0.525 2.035 -0.091 1.00 71.54 H new ATOM 0 HG23 VAL A 73 1.471 1.857 1.406 1.00 71.54 H new ATOM 1162 N THR A 74 2.561 6.264 -1.097 1.00 11.44 N ATOM 1163 CA THR A 74 2.745 7.712 -1.202 1.00 51.40 C ATOM 1164 C THR A 74 1.360 8.380 -1.129 1.00 33.22 C ATOM 1165 O THR A 74 0.384 7.820 -1.630 1.00 63.22 O ATOM 1166 CB THR A 74 3.473 8.083 -2.539 1.00 31.01 C ATOM 1167 OG1 THR A 74 4.752 7.416 -2.612 1.00 33.03 O ATOM 1168 CG2 THR A 74 3.682 9.601 -2.695 1.00 25.15 C ATOM 0 H THR A 74 2.171 5.842 -1.940 1.00 11.44 H new ATOM 0 HA THR A 74 3.371 8.068 -0.383 1.00 51.40 H new ATOM 0 HB THR A 74 2.828 7.750 -3.352 1.00 31.01 H new ATOM 0 HG1 THR A 74 5.197 7.654 -3.452 1.00 33.03 H new ATOM 0 HG21 THR A 74 4.190 9.803 -3.638 1.00 25.15 H new ATOM 0 HG22 THR A 74 2.715 10.104 -2.689 1.00 25.15 H new ATOM 0 HG23 THR A 74 4.289 9.972 -1.869 1.00 25.15 H new ATOM 1176 N LYS A 75 1.283 9.553 -0.478 1.00 22.35 N ATOM 1177 CA LYS A 75 0.046 10.365 -0.398 1.00 73.13 C ATOM 1178 C LYS A 75 0.169 11.614 -1.295 1.00 1.03 C ATOM 1179 O LYS A 75 1.288 12.036 -1.617 1.00 54.31 O ATOM 1180 CB LYS A 75 -0.258 10.748 1.077 1.00 12.31 C ATOM 1181 CG LYS A 75 0.826 11.605 1.765 1.00 52.43 C ATOM 1182 CD LYS A 75 0.549 11.816 3.273 1.00 1.53 C ATOM 1183 CE LYS A 75 1.649 12.640 3.966 1.00 24.24 C ATOM 1184 NZ LYS A 75 1.715 14.023 3.430 1.00 71.02 N ATOM 0 H LYS A 75 2.076 9.970 0.010 1.00 22.35 H new ATOM 0 HA LYS A 75 -0.792 9.772 -0.764 1.00 73.13 H new ATOM 0 HB2 LYS A 75 -1.203 11.290 1.108 1.00 12.31 H new ATOM 0 HB3 LYS A 75 -0.396 9.833 1.653 1.00 12.31 H new ATOM 0 HG2 LYS A 75 1.797 11.125 1.641 1.00 52.43 H new ATOM 0 HG3 LYS A 75 0.885 12.575 1.271 1.00 52.43 H new ATOM 0 HD2 LYS A 75 -0.410 12.320 3.396 1.00 1.53 H new ATOM 0 HD3 LYS A 75 0.464 10.846 3.762 1.00 1.53 H new ATOM 0 HE2 LYS A 75 1.458 12.674 5.039 1.00 24.24 H new ATOM 0 HE3 LYS A 75 2.613 12.150 3.829 1.00 24.24 H new ATOM 0 HZ1 LYS A 75 2.589 14.140 2.879 1.00 71.02 H new ATOM 0 HZ2 LYS A 75 0.893 14.197 2.817 1.00 71.02 H new ATOM 0 HZ3 LYS A 75 1.709 14.701 4.218 1.00 71.02 H new ATOM 1198 N GLU A 76 -1.001 12.179 -1.695 1.00 12.55 N ATOM 1199 CA GLU A 76 -1.103 13.281 -2.687 1.00 44.44 C ATOM 1200 C GLU A 76 -0.224 14.481 -2.311 1.00 44.13 C ATOM 1201 O GLU A 76 0.693 14.861 -3.052 1.00 4.35 O ATOM 1202 CB GLU A 76 -2.578 13.776 -2.820 1.00 4.34 C ATOM 1203 CG GLU A 76 -3.592 12.736 -3.340 1.00 74.11 C ATOM 1204 CD GLU A 76 -3.419 12.361 -4.823 1.00 0.25 C ATOM 1205 OE1 GLU A 76 -3.160 13.267 -5.655 1.00 51.23 O ATOM 1206 OE2 GLU A 76 -3.582 11.170 -5.172 1.00 52.34 O ATOM 0 H GLU A 76 -1.907 11.879 -1.334 1.00 12.55 H new ATOM 0 HA GLU A 76 -0.756 12.871 -3.635 1.00 44.44 H new ATOM 0 HB2 GLU A 76 -2.913 14.125 -1.843 1.00 4.34 H new ATOM 0 HB3 GLU A 76 -2.593 14.636 -3.489 1.00 4.34 H new ATOM 0 HG2 GLU A 76 -3.507 11.832 -2.737 1.00 74.11 H new ATOM 0 HG3 GLU A 76 -4.600 13.124 -3.192 1.00 74.11 H new ATOM 1213 N ASN A 77 -0.500 15.038 -1.134 1.00 44.44 N ATOM 1214 CA ASN A 77 0.072 16.312 -0.692 1.00 45.42 C ATOM 1215 C ASN A 77 0.359 16.286 0.814 1.00 75.23 C ATOM 1216 O ASN A 77 -0.051 15.356 1.528 1.00 12.42 O ATOM 1217 CB ASN A 77 -0.886 17.484 -1.082 1.00 62.00 C ATOM 1218 CG ASN A 77 -2.291 17.405 -0.465 1.00 2.12 C ATOM 1219 OD1 ASN A 77 -2.773 16.345 -0.094 1.00 64.21 O ATOM 1220 ND2 ASN A 77 -2.980 18.527 -0.404 1.00 20.34 N ATOM 0 H ASN A 77 -1.132 14.616 -0.453 1.00 44.44 H new ATOM 0 HA ASN A 77 1.025 16.472 -1.195 1.00 45.42 H new ATOM 0 HB2 ASN A 77 -0.426 18.425 -0.781 1.00 62.00 H new ATOM 0 HB3 ASN A 77 -0.983 17.509 -2.167 1.00 62.00 H new ATOM 0 HD21 ASN A 77 -3.934 18.521 -0.042 1.00 20.34 H new ATOM 0 HD22 ASN A 77 -2.560 19.401 -0.719 1.00 20.34 H new ATOM 1227 N GLU A 78 1.060 17.328 1.270 1.00 51.02 N ATOM 1228 CA GLU A 78 1.515 17.477 2.665 1.00 43.44 C ATOM 1229 C GLU A 78 0.355 17.905 3.582 1.00 34.40 C ATOM 1230 O GLU A 78 0.461 17.818 4.804 1.00 2.55 O ATOM 1231 CB GLU A 78 2.673 18.504 2.714 1.00 5.53 C ATOM 1232 CG GLU A 78 3.803 18.228 1.688 1.00 1.21 C ATOM 1233 CD GLU A 78 4.945 19.257 1.737 1.00 61.45 C ATOM 1234 OE1 GLU A 78 4.668 20.465 1.603 1.00 73.24 O ATOM 1235 OE2 GLU A 78 6.126 18.859 1.890 1.00 51.24 O ATOM 0 H GLU A 78 1.335 18.108 0.673 1.00 51.02 H new ATOM 0 HA GLU A 78 1.875 16.515 3.030 1.00 43.44 H new ATOM 0 HB2 GLU A 78 2.269 19.501 2.535 1.00 5.53 H new ATOM 0 HB3 GLU A 78 3.100 18.508 3.717 1.00 5.53 H new ATOM 0 HG2 GLU A 78 4.213 17.234 1.870 1.00 1.21 H new ATOM 0 HG3 GLU A 78 3.377 18.218 0.685 1.00 1.21 H new ATOM 1242 N GLU A 79 -0.755 18.355 2.961 1.00 0.12 N ATOM 1243 CA GLU A 79 -1.984 18.745 3.673 1.00 73.14 C ATOM 1244 C GLU A 79 -2.740 17.496 4.148 1.00 2.44 C ATOM 1245 O GLU A 79 -3.505 17.564 5.109 1.00 21.43 O ATOM 1246 CB GLU A 79 -2.894 19.647 2.790 1.00 13.25 C ATOM 1247 CG GLU A 79 -2.301 21.028 2.408 1.00 41.01 C ATOM 1248 CD GLU A 79 -1.111 20.965 1.427 1.00 61.04 C ATOM 1249 OE1 GLU A 79 -1.340 20.860 0.209 1.00 52.14 O ATOM 1250 OE2 GLU A 79 0.055 21.001 1.864 1.00 54.31 O ATOM 0 H GLU A 79 -0.822 18.457 1.948 1.00 0.12 H new ATOM 0 HA GLU A 79 -1.698 19.332 4.546 1.00 73.14 H new ATOM 0 HB2 GLU A 79 -3.130 19.107 1.873 1.00 13.25 H new ATOM 0 HB3 GLU A 79 -3.835 19.809 3.316 1.00 13.25 H new ATOM 0 HG2 GLU A 79 -3.089 21.637 1.965 1.00 41.01 H new ATOM 0 HG3 GLU A 79 -1.979 21.535 3.318 1.00 41.01 H new ATOM 1257 N LEU A 80 -2.528 16.357 3.462 1.00 2.13 N ATOM 1258 CA LEU A 80 -2.988 15.047 3.938 1.00 21.43 C ATOM 1259 C LEU A 80 -2.035 14.542 5.009 1.00 50.42 C ATOM 1260 O LEU A 80 -0.816 14.521 4.803 1.00 50.10 O ATOM 1261 CB LEU A 80 -3.039 14.017 2.785 1.00 71.43 C ATOM 1262 CG LEU A 80 -4.169 14.215 1.739 1.00 24.14 C ATOM 1263 CD1 LEU A 80 -3.951 13.279 0.549 1.00 10.31 C ATOM 1264 CD2 LEU A 80 -5.564 13.996 2.354 1.00 15.12 C ATOM 0 H LEU A 80 -2.036 16.323 2.569 1.00 2.13 H new ATOM 0 HA LEU A 80 -3.993 15.164 4.342 1.00 21.43 H new ATOM 0 HB2 LEU A 80 -2.082 14.038 2.264 1.00 71.43 H new ATOM 0 HB3 LEU A 80 -3.144 13.022 3.218 1.00 71.43 H new ATOM 0 HG LEU A 80 -4.128 15.248 1.393 1.00 24.14 H new ATOM 0 HD11 LEU A 80 -4.748 13.425 -0.180 1.00 10.31 H new ATOM 0 HD12 LEU A 80 -2.990 13.499 0.084 1.00 10.31 H new ATOM 0 HD13 LEU A 80 -3.959 12.245 0.893 1.00 10.31 H new ATOM 0 HD21 LEU A 80 -6.326 14.144 1.589 1.00 15.12 H new ATOM 0 HD22 LEU A 80 -5.634 12.981 2.745 1.00 15.12 H new ATOM 0 HD23 LEU A 80 -5.720 14.708 3.164 1.00 15.12 H new ATOM 1276 N ASP A 81 -2.590 14.200 6.162 1.00 51.44 N ATOM 1277 CA ASP A 81 -1.849 13.505 7.223 1.00 21.15 C ATOM 1278 C ASP A 81 -2.039 11.992 7.057 1.00 13.42 C ATOM 1279 O ASP A 81 -3.094 11.549 6.582 1.00 22.23 O ATOM 1280 CB ASP A 81 -2.327 13.972 8.623 1.00 1.30 C ATOM 1281 CG ASP A 81 -1.376 13.520 9.748 1.00 50.43 C ATOM 1282 OD1 ASP A 81 -0.357 14.204 9.981 1.00 1.40 O ATOM 1283 OD2 ASP A 81 -1.616 12.468 10.376 1.00 73.52 O ATOM 0 H ASP A 81 -3.564 14.392 6.396 1.00 51.44 H new ATOM 0 HA ASP A 81 -0.789 13.745 7.142 1.00 21.15 H new ATOM 0 HB2 ASP A 81 -2.407 15.059 8.633 1.00 1.30 H new ATOM 0 HB3 ASP A 81 -3.325 13.577 8.814 1.00 1.30 H new ATOM 1288 N TRP A 82 -1.025 11.201 7.457 1.00 45.54 N ATOM 1289 CA TRP A 82 -1.054 9.731 7.320 1.00 75.44 C ATOM 1290 C TRP A 82 -2.175 9.086 8.155 1.00 20.54 C ATOM 1291 O TRP A 82 -2.696 8.058 7.748 1.00 55.11 O ATOM 1292 CB TRP A 82 0.331 9.092 7.645 1.00 14.52 C ATOM 1293 CG TRP A 82 1.294 9.112 6.477 1.00 3.33 C ATOM 1294 CD1 TRP A 82 2.510 9.737 6.392 1.00 33.03 C ATOM 1295 CD2 TRP A 82 1.085 8.468 5.207 1.00 20.20 C ATOM 1296 NE1 TRP A 82 3.062 9.514 5.155 1.00 70.32 N ATOM 1297 CE2 TRP A 82 2.206 8.741 4.413 1.00 0.10 C ATOM 1298 CE3 TRP A 82 0.054 7.681 4.670 1.00 13.41 C ATOM 1299 CZ2 TRP A 82 2.326 8.262 3.113 1.00 11.01 C ATOM 1300 CZ3 TRP A 82 0.175 7.209 3.382 1.00 32.43 C ATOM 1301 CH2 TRP A 82 1.305 7.500 2.617 1.00 63.23 C ATOM 0 H TRP A 82 -0.169 11.559 7.881 1.00 45.54 H new ATOM 0 HA TRP A 82 -1.277 9.524 6.273 1.00 75.44 H new ATOM 0 HB2 TRP A 82 0.779 9.623 8.485 1.00 14.52 H new ATOM 0 HB3 TRP A 82 0.181 8.061 7.964 1.00 14.52 H new ATOM 0 HD1 TRP A 82 2.966 10.318 7.180 1.00 33.03 H new ATOM 0 HE1 TRP A 82 3.965 9.867 4.838 1.00 70.32 H new ATOM 0 HE3 TRP A 82 -0.821 7.449 5.258 1.00 13.41 H new ATOM 0 HZ2 TRP A 82 3.197 8.485 2.515 1.00 11.01 H new ATOM 0 HZ3 TRP A 82 -0.615 6.606 2.959 1.00 32.43 H new ATOM 0 HH2 TRP A 82 1.375 7.115 1.610 1.00 63.23 H new ATOM 1312 N ASN A 83 -2.576 9.724 9.280 1.00 30.13 N ATOM 1313 CA ASN A 83 -3.664 9.214 10.164 1.00 32.15 C ATOM 1314 C ASN A 83 -5.012 9.109 9.429 1.00 74.11 C ATOM 1315 O ASN A 83 -5.886 8.372 9.868 1.00 72.02 O ATOM 1316 CB ASN A 83 -3.820 10.082 11.461 1.00 71.30 C ATOM 1317 CG ASN A 83 -2.826 9.710 12.564 1.00 12.41 C ATOM 1318 OD1 ASN A 83 -2.377 8.566 12.653 1.00 30.20 O ATOM 1319 ND2 ASN A 83 -2.500 10.658 13.429 1.00 42.35 N ATOM 0 H ASN A 83 -2.162 10.599 9.603 1.00 30.13 H new ATOM 0 HA ASN A 83 -3.365 8.208 10.460 1.00 32.15 H new ATOM 0 HB2 ASN A 83 -3.689 11.133 11.204 1.00 71.30 H new ATOM 0 HB3 ASN A 83 -4.835 9.971 11.844 1.00 71.30 H new ATOM 0 HD21 ASN A 83 -1.860 10.451 14.196 1.00 42.35 H new ATOM 0 HD22 ASN A 83 -2.889 11.596 13.328 1.00 42.35 H new ATOM 1326 N LEU A 84 -5.167 9.863 8.333 1.00 35.03 N ATOM 1327 CA LEU A 84 -6.384 9.835 7.507 1.00 12.11 C ATOM 1328 C LEU A 84 -6.437 8.533 6.688 1.00 64.41 C ATOM 1329 O LEU A 84 -7.477 7.875 6.611 1.00 64.42 O ATOM 1330 CB LEU A 84 -6.415 11.068 6.569 1.00 10.34 C ATOM 1331 CG LEU A 84 -6.383 12.452 7.286 1.00 24.02 C ATOM 1332 CD1 LEU A 84 -6.286 13.602 6.269 1.00 54.33 C ATOM 1333 CD2 LEU A 84 -7.602 12.633 8.221 1.00 53.25 C ATOM 0 H LEU A 84 -4.454 10.509 7.993 1.00 35.03 H new ATOM 0 HA LEU A 84 -7.258 9.870 8.158 1.00 12.11 H new ATOM 0 HB2 LEU A 84 -5.564 11.009 5.891 1.00 10.34 H new ATOM 0 HB3 LEU A 84 -7.315 11.015 5.957 1.00 10.34 H new ATOM 0 HG LEU A 84 -5.487 12.480 7.907 1.00 24.02 H new ATOM 0 HD11 LEU A 84 -6.266 14.555 6.798 1.00 54.33 H new ATOM 0 HD12 LEU A 84 -5.374 13.493 5.682 1.00 54.33 H new ATOM 0 HD13 LEU A 84 -7.150 13.574 5.605 1.00 54.33 H new ATOM 0 HD21 LEU A 84 -7.548 13.608 8.705 1.00 53.25 H new ATOM 0 HD22 LEU A 84 -8.521 12.567 7.638 1.00 53.25 H new ATOM 0 HD23 LEU A 84 -7.598 11.851 8.980 1.00 53.25 H new ATOM 1345 N LEU A 85 -5.285 8.166 6.106 1.00 5.14 N ATOM 1346 CA LEU A 85 -5.159 6.996 5.220 1.00 30.20 C ATOM 1347 C LEU A 85 -4.989 5.694 6.027 1.00 65.11 C ATOM 1348 O LEU A 85 -5.416 4.647 5.571 1.00 41.04 O ATOM 1349 CB LEU A 85 -3.960 7.172 4.239 1.00 63.12 C ATOM 1350 CG LEU A 85 -4.035 8.380 3.230 1.00 14.04 C ATOM 1351 CD1 LEU A 85 -3.642 9.721 3.881 1.00 10.21 C ATOM 1352 CD2 LEU A 85 -3.198 8.104 1.964 1.00 64.10 C ATOM 0 H LEU A 85 -4.410 8.674 6.237 1.00 5.14 H new ATOM 0 HA LEU A 85 -6.081 6.924 4.644 1.00 30.20 H new ATOM 0 HB2 LEU A 85 -3.051 7.280 4.831 1.00 63.12 H new ATOM 0 HB3 LEU A 85 -3.857 6.253 3.661 1.00 63.12 H new ATOM 0 HG LEU A 85 -5.079 8.473 2.931 1.00 14.04 H new ATOM 0 HD11 LEU A 85 -3.711 10.519 3.141 1.00 10.21 H new ATOM 0 HD12 LEU A 85 -4.317 9.935 4.710 1.00 10.21 H new ATOM 0 HD13 LEU A 85 -2.619 9.659 4.253 1.00 10.21 H new ATOM 0 HD21 LEU A 85 -3.270 8.956 1.287 1.00 64.10 H new ATOM 0 HD22 LEU A 85 -2.156 7.950 2.243 1.00 64.10 H new ATOM 0 HD23 LEU A 85 -3.576 7.212 1.465 1.00 64.10 H new ATOM 1364 N LYS A 86 -4.356 5.787 7.220 1.00 31.02 N ATOM 1365 CA LYS A 86 -4.009 4.616 8.067 1.00 70.11 C ATOM 1366 C LYS A 86 -5.187 3.638 8.342 1.00 62.41 C ATOM 1367 O LYS A 86 -5.028 2.461 8.052 1.00 0.23 O ATOM 1368 CB LYS A 86 -3.342 5.060 9.402 1.00 44.54 C ATOM 1369 CG LYS A 86 -1.864 5.460 9.256 1.00 34.44 C ATOM 1370 CD LYS A 86 -1.277 6.023 10.567 1.00 24.43 C ATOM 1371 CE LYS A 86 0.183 6.464 10.408 1.00 55.13 C ATOM 1372 NZ LYS A 86 0.700 7.135 11.637 1.00 33.24 N ATOM 0 H LYS A 86 -4.070 6.678 7.625 1.00 31.02 H new ATOM 0 HA LYS A 86 -3.291 4.049 7.474 1.00 70.11 H new ATOM 0 HB2 LYS A 86 -3.898 5.903 9.812 1.00 44.54 H new ATOM 0 HB3 LYS A 86 -3.419 4.247 10.124 1.00 44.54 H new ATOM 0 HG2 LYS A 86 -1.284 4.591 8.945 1.00 34.44 H new ATOM 0 HG3 LYS A 86 -1.768 6.207 8.468 1.00 34.44 H new ATOM 0 HD2 LYS A 86 -1.877 6.871 10.896 1.00 24.43 H new ATOM 0 HD3 LYS A 86 -1.342 5.265 11.347 1.00 24.43 H new ATOM 0 HE2 LYS A 86 0.802 5.596 10.181 1.00 55.13 H new ATOM 0 HE3 LYS A 86 0.266 7.145 9.561 1.00 55.13 H new ATOM 0 HZ1 LYS A 86 1.690 7.417 11.488 1.00 33.24 H new ATOM 0 HZ2 LYS A 86 0.126 7.978 11.840 1.00 33.24 H new ATOM 0 HZ3 LYS A 86 0.645 6.477 12.441 1.00 33.24 H new ATOM 1386 N PRO A 87 -6.398 4.082 8.864 1.00 51.11 N ATOM 1387 CA PRO A 87 -7.533 3.147 9.133 1.00 41.14 C ATOM 1388 C PRO A 87 -7.996 2.418 7.853 1.00 43.41 C ATOM 1389 O PRO A 87 -8.360 1.232 7.893 1.00 75.32 O ATOM 1390 CB PRO A 87 -8.660 4.069 9.695 1.00 41.24 C ATOM 1391 CG PRO A 87 -8.294 5.451 9.243 1.00 14.31 C ATOM 1392 CD PRO A 87 -6.781 5.475 9.223 1.00 52.34 C ATOM 0 HA PRO A 87 -7.253 2.353 9.825 1.00 41.14 H new ATOM 0 HB2 PRO A 87 -9.637 3.775 9.313 1.00 41.24 H new ATOM 0 HB3 PRO A 87 -8.712 4.010 10.782 1.00 41.24 H new ATOM 0 HG2 PRO A 87 -8.704 5.664 8.256 1.00 14.31 H new ATOM 0 HG3 PRO A 87 -8.691 6.205 9.922 1.00 14.31 H new ATOM 0 HD2 PRO A 87 -6.404 6.192 8.494 1.00 52.34 H new ATOM 0 HD3 PRO A 87 -6.374 5.762 10.193 1.00 52.34 H new ATOM 1400 N ASP A 88 -7.932 3.149 6.728 1.00 23.34 N ATOM 1401 CA ASP A 88 -8.296 2.653 5.401 1.00 12.13 C ATOM 1402 C ASP A 88 -7.297 1.576 4.934 1.00 52.42 C ATOM 1403 O ASP A 88 -7.704 0.489 4.532 1.00 44.40 O ATOM 1404 CB ASP A 88 -8.327 3.838 4.398 1.00 53.34 C ATOM 1405 CG ASP A 88 -9.441 4.862 4.675 1.00 15.32 C ATOM 1406 OD1 ASP A 88 -9.401 5.524 5.738 1.00 13.12 O ATOM 1407 OD2 ASP A 88 -10.353 5.020 3.832 1.00 21.13 O ATOM 0 H ASP A 88 -7.619 4.120 6.721 1.00 23.34 H new ATOM 0 HA ASP A 88 -9.285 2.198 5.448 1.00 12.13 H new ATOM 0 HB2 ASP A 88 -7.364 4.348 4.424 1.00 53.34 H new ATOM 0 HB3 ASP A 88 -8.452 3.444 3.389 1.00 53.34 H new ATOM 1412 N ILE A 89 -5.992 1.890 5.045 1.00 22.43 N ATOM 1413 CA ILE A 89 -4.890 1.032 4.567 1.00 12.52 C ATOM 1414 C ILE A 89 -4.789 -0.253 5.412 1.00 61.43 C ATOM 1415 O ILE A 89 -4.624 -1.347 4.858 1.00 33.31 O ATOM 1416 CB ILE A 89 -3.515 1.827 4.555 1.00 12.21 C ATOM 1417 CG1 ILE A 89 -3.572 2.981 3.492 1.00 42.21 C ATOM 1418 CG2 ILE A 89 -2.304 0.898 4.295 1.00 60.31 C ATOM 1419 CD1 ILE A 89 -2.332 3.858 3.411 1.00 45.52 C ATOM 0 H ILE A 89 -5.669 2.757 5.474 1.00 22.43 H new ATOM 0 HA ILE A 89 -5.109 0.738 3.541 1.00 12.52 H new ATOM 0 HB ILE A 89 -3.373 2.259 5.546 1.00 12.21 H new ATOM 0 HG12 ILE A 89 -3.748 2.540 2.511 1.00 42.21 H new ATOM 0 HG13 ILE A 89 -4.430 3.615 3.715 1.00 42.21 H new ATOM 0 HG21 ILE A 89 -1.387 1.487 4.296 1.00 60.31 H new ATOM 0 HG22 ILE A 89 -2.251 0.142 5.078 1.00 60.31 H new ATOM 0 HG23 ILE A 89 -2.421 0.410 3.327 1.00 60.31 H new ATOM 0 HD11 ILE A 89 -2.476 4.622 2.647 1.00 45.52 H new ATOM 0 HD12 ILE A 89 -2.161 4.337 4.375 1.00 45.52 H new ATOM 0 HD13 ILE A 89 -1.469 3.245 3.153 1.00 45.52 H new ATOM 1431 N TYR A 90 -4.934 -0.117 6.746 1.00 14.35 N ATOM 1432 CA TYR A 90 -4.898 -1.270 7.669 1.00 22.33 C ATOM 1433 C TYR A 90 -6.054 -2.221 7.367 1.00 73.51 C ATOM 1434 O TYR A 90 -5.830 -3.410 7.150 1.00 64.45 O ATOM 1435 CB TYR A 90 -4.953 -0.837 9.160 1.00 4.41 C ATOM 1436 CG TYR A 90 -3.794 0.060 9.631 1.00 44.42 C ATOM 1437 CD1 TYR A 90 -2.524 0.018 9.031 1.00 73.20 C ATOM 1438 CD2 TYR A 90 -3.978 0.956 10.682 1.00 34.55 C ATOM 1439 CE1 TYR A 90 -1.499 0.839 9.469 1.00 12.41 C ATOM 1440 CE2 TYR A 90 -2.958 1.776 11.116 1.00 32.42 C ATOM 1441 CZ TYR A 90 -1.721 1.716 10.509 1.00 63.21 C ATOM 1442 OH TYR A 90 -0.703 2.540 10.947 1.00 61.43 O ATOM 0 H TYR A 90 -5.077 0.781 7.208 1.00 14.35 H new ATOM 0 HA TYR A 90 -3.947 -1.778 7.509 1.00 22.33 H new ATOM 0 HB2 TYR A 90 -5.891 -0.310 9.333 1.00 4.41 H new ATOM 0 HB3 TYR A 90 -4.972 -1.733 9.780 1.00 4.41 H new ATOM 0 HD1 TYR A 90 -2.345 -0.666 8.215 1.00 73.20 H new ATOM 0 HD2 TYR A 90 -4.941 1.009 11.168 1.00 34.55 H new ATOM 0 HE1 TYR A 90 -0.529 0.792 8.997 1.00 12.41 H new ATOM 0 HE2 TYR A 90 -3.128 2.465 11.931 1.00 32.42 H new ATOM 0 HH TYR A 90 -1.027 3.096 11.686 1.00 61.43 H new ATOM 1452 N ALA A 91 -7.280 -1.661 7.307 1.00 15.24 N ATOM 1453 CA ALA A 91 -8.509 -2.436 7.049 1.00 32.13 C ATOM 1454 C ALA A 91 -8.426 -3.184 5.707 1.00 24.41 C ATOM 1455 O ALA A 91 -8.693 -4.374 5.655 1.00 72.53 O ATOM 1456 CB ALA A 91 -9.734 -1.514 7.067 1.00 11.31 C ATOM 0 H ALA A 91 -7.444 -0.663 7.436 1.00 15.24 H new ATOM 0 HA ALA A 91 -8.611 -3.177 7.842 1.00 32.13 H new ATOM 0 HB1 ALA A 91 -10.633 -2.100 6.875 1.00 11.31 H new ATOM 0 HB2 ALA A 91 -9.814 -1.035 8.043 1.00 11.31 H new ATOM 0 HB3 ALA A 91 -9.627 -0.751 6.296 1.00 11.31 H new ATOM 1462 N THR A 92 -8.006 -2.458 4.652 1.00 11.24 N ATOM 1463 CA THR A 92 -7.878 -2.988 3.278 1.00 25.12 C ATOM 1464 C THR A 92 -6.880 -4.172 3.188 1.00 12.22 C ATOM 1465 O THR A 92 -7.222 -5.234 2.654 1.00 54.34 O ATOM 1466 CB THR A 92 -7.471 -1.836 2.288 1.00 40.34 C ATOM 1467 OG1 THR A 92 -8.541 -0.879 2.201 1.00 51.10 O ATOM 1468 CG2 THR A 92 -7.145 -2.339 0.875 1.00 73.11 C ATOM 0 H THR A 92 -7.743 -1.476 4.730 1.00 11.24 H new ATOM 0 HA THR A 92 -8.853 -3.380 2.989 1.00 25.12 H new ATOM 0 HB THR A 92 -6.565 -1.383 2.691 1.00 40.34 H new ATOM 0 HG1 THR A 92 -8.476 -0.247 2.947 1.00 51.10 H new ATOM 0 HG21 THR A 92 -6.872 -1.495 0.242 1.00 73.11 H new ATOM 0 HG22 THR A 92 -6.313 -3.041 0.922 1.00 73.11 H new ATOM 0 HG23 THR A 92 -8.018 -2.839 0.456 1.00 73.11 H new ATOM 1476 N ILE A 93 -5.662 -3.984 3.743 1.00 24.10 N ATOM 1477 CA ILE A 93 -4.587 -5.002 3.694 1.00 62.21 C ATOM 1478 C ILE A 93 -4.962 -6.247 4.538 1.00 52.30 C ATOM 1479 O ILE A 93 -4.864 -7.381 4.049 1.00 1.34 O ATOM 1480 CB ILE A 93 -3.198 -4.408 4.163 1.00 51.21 C ATOM 1481 CG1 ILE A 93 -2.726 -3.262 3.206 1.00 23.32 C ATOM 1482 CG2 ILE A 93 -2.109 -5.504 4.266 1.00 13.43 C ATOM 1483 CD1 ILE A 93 -1.421 -2.589 3.616 1.00 34.34 C ATOM 0 H ILE A 93 -5.397 -3.130 4.234 1.00 24.10 H new ATOM 0 HA ILE A 93 -4.481 -5.311 2.654 1.00 62.21 H new ATOM 0 HB ILE A 93 -3.348 -3.992 5.159 1.00 51.21 H new ATOM 0 HG12 ILE A 93 -2.609 -3.670 2.202 1.00 23.32 H new ATOM 0 HG13 ILE A 93 -3.509 -2.505 3.153 1.00 23.32 H new ATOM 0 HG21 ILE A 93 -1.170 -5.055 4.591 1.00 13.43 H new ATOM 0 HG22 ILE A 93 -2.420 -6.259 4.989 1.00 13.43 H new ATOM 0 HG23 ILE A 93 -1.969 -5.971 3.291 1.00 13.43 H new ATOM 0 HD11 ILE A 93 -1.172 -1.809 2.896 1.00 34.34 H new ATOM 0 HD12 ILE A 93 -1.535 -2.147 4.606 1.00 34.34 H new ATOM 0 HD13 ILE A 93 -0.621 -3.329 3.640 1.00 34.34 H new ATOM 1495 N MET A 94 -5.428 -6.022 5.788 1.00 0.21 N ATOM 1496 CA MET A 94 -5.815 -7.118 6.712 1.00 34.14 C ATOM 1497 C MET A 94 -6.962 -7.968 6.121 1.00 31.54 C ATOM 1498 O MET A 94 -6.889 -9.199 6.128 1.00 61.42 O ATOM 1499 CB MET A 94 -6.232 -6.578 8.113 1.00 64.10 C ATOM 1500 CG MET A 94 -5.111 -5.918 8.922 1.00 60.32 C ATOM 1501 SD MET A 94 -5.633 -5.456 10.595 1.00 33.02 S ATOM 1502 CE MET A 94 -6.994 -4.318 10.294 1.00 23.01 C ATOM 0 H MET A 94 -5.546 -5.089 6.183 1.00 0.21 H new ATOM 0 HA MET A 94 -4.933 -7.747 6.836 1.00 34.14 H new ATOM 0 HB2 MET A 94 -7.036 -5.854 7.980 1.00 64.10 H new ATOM 0 HB3 MET A 94 -6.640 -7.404 8.696 1.00 64.10 H new ATOM 0 HG2 MET A 94 -4.264 -6.601 8.986 1.00 60.32 H new ATOM 0 HG3 MET A 94 -4.764 -5.029 8.396 1.00 60.32 H new ATOM 0 HE1 MET A 94 -7.324 -3.887 11.239 1.00 23.01 H new ATOM 0 HE2 MET A 94 -6.662 -3.521 9.629 1.00 23.01 H new ATOM 0 HE3 MET A 94 -7.822 -4.855 9.832 1.00 23.01 H new ATOM 1512 N ASP A 95 -7.999 -7.276 5.607 1.00 73.41 N ATOM 1513 CA ASP A 95 -9.171 -7.893 4.941 1.00 12.21 C ATOM 1514 C ASP A 95 -8.739 -8.767 3.753 1.00 10.43 C ATOM 1515 O ASP A 95 -9.195 -9.899 3.614 1.00 21.55 O ATOM 1516 CB ASP A 95 -10.142 -6.778 4.454 1.00 14.20 C ATOM 1517 CG ASP A 95 -11.338 -7.305 3.633 1.00 14.14 C ATOM 1518 OD1 ASP A 95 -12.389 -7.624 4.232 1.00 30.23 O ATOM 1519 OD2 ASP A 95 -11.235 -7.388 2.386 1.00 40.25 O ATOM 0 H ASP A 95 -8.049 -6.258 5.642 1.00 73.41 H new ATOM 0 HA ASP A 95 -9.679 -8.532 5.663 1.00 12.21 H new ATOM 0 HB2 ASP A 95 -10.520 -6.235 5.320 1.00 14.20 H new ATOM 0 HB3 ASP A 95 -9.585 -6.064 3.848 1.00 14.20 H new ATOM 1524 N PHE A 96 -7.843 -8.204 2.926 1.00 71.53 N ATOM 1525 CA PHE A 96 -7.333 -8.836 1.698 1.00 60.43 C ATOM 1526 C PHE A 96 -6.667 -10.202 1.999 1.00 15.44 C ATOM 1527 O PHE A 96 -6.969 -11.216 1.347 1.00 24.54 O ATOM 1528 CB PHE A 96 -6.329 -7.864 1.020 1.00 41.31 C ATOM 1529 CG PHE A 96 -5.815 -8.317 -0.338 1.00 72.10 C ATOM 1530 CD1 PHE A 96 -6.532 -8.030 -1.497 1.00 15.33 C ATOM 1531 CD2 PHE A 96 -4.620 -9.029 -0.457 1.00 10.21 C ATOM 1532 CE1 PHE A 96 -6.073 -8.437 -2.727 1.00 52.23 C ATOM 1533 CE2 PHE A 96 -4.167 -9.436 -1.688 1.00 61.42 C ATOM 1534 CZ PHE A 96 -4.891 -9.141 -2.823 1.00 45.42 C ATOM 0 H PHE A 96 -7.446 -7.280 3.095 1.00 71.53 H new ATOM 0 HA PHE A 96 -8.166 -9.034 1.023 1.00 60.43 H new ATOM 0 HB2 PHE A 96 -6.809 -6.892 0.905 1.00 41.31 H new ATOM 0 HB3 PHE A 96 -5.477 -7.722 1.686 1.00 41.31 H new ATOM 0 HD1 PHE A 96 -7.460 -7.481 -1.428 1.00 15.33 H new ATOM 0 HD2 PHE A 96 -4.046 -9.262 0.428 1.00 10.21 H new ATOM 0 HE1 PHE A 96 -6.638 -8.206 -3.618 1.00 52.23 H new ATOM 0 HE2 PHE A 96 -3.242 -9.988 -1.767 1.00 61.42 H new ATOM 0 HZ PHE A 96 -4.532 -9.462 -3.790 1.00 45.42 H new ATOM 1544 N PHE A 97 -5.780 -10.210 3.014 1.00 10.24 N ATOM 1545 CA PHE A 97 -5.056 -11.428 3.444 1.00 23.22 C ATOM 1546 C PHE A 97 -5.973 -12.395 4.219 1.00 51.43 C ATOM 1547 O PHE A 97 -5.766 -13.615 4.173 1.00 64.32 O ATOM 1548 CB PHE A 97 -3.800 -11.060 4.285 1.00 72.23 C ATOM 1549 CG PHE A 97 -2.624 -10.526 3.449 1.00 40.21 C ATOM 1550 CD1 PHE A 97 -1.756 -11.411 2.797 1.00 53.13 C ATOM 1551 CD2 PHE A 97 -2.380 -9.160 3.315 1.00 73.04 C ATOM 1552 CE1 PHE A 97 -0.689 -10.944 2.052 1.00 20.43 C ATOM 1553 CE2 PHE A 97 -1.311 -8.695 2.567 1.00 52.43 C ATOM 1554 CZ PHE A 97 -0.468 -9.587 1.940 1.00 72.34 C ATOM 0 H PHE A 97 -5.545 -9.379 3.557 1.00 10.24 H new ATOM 0 HA PHE A 97 -4.725 -11.945 2.543 1.00 23.22 H new ATOM 0 HB2 PHE A 97 -4.078 -10.309 5.025 1.00 72.23 H new ATOM 0 HB3 PHE A 97 -3.471 -11.942 4.834 1.00 72.23 H new ATOM 0 HD1 PHE A 97 -1.923 -12.475 2.877 1.00 53.13 H new ATOM 0 HD2 PHE A 97 -3.035 -8.453 3.802 1.00 73.04 H new ATOM 0 HE1 PHE A 97 -0.029 -11.641 1.558 1.00 20.43 H new ATOM 0 HE2 PHE A 97 -1.138 -7.633 2.475 1.00 52.43 H new ATOM 0 HZ PHE A 97 0.367 -9.223 1.360 1.00 72.34 H new ATOM 1564 N ALA A 98 -6.991 -11.851 4.909 1.00 63.34 N ATOM 1565 CA ALA A 98 -8.001 -12.658 5.634 1.00 53.42 C ATOM 1566 C ALA A 98 -8.946 -13.372 4.648 1.00 34.20 C ATOM 1567 O ALA A 98 -9.466 -14.450 4.945 1.00 45.53 O ATOM 1568 CB ALA A 98 -8.800 -11.773 6.606 1.00 54.13 C ATOM 0 H ALA A 98 -7.141 -10.845 4.983 1.00 63.34 H new ATOM 0 HA ALA A 98 -7.477 -13.420 6.211 1.00 53.42 H new ATOM 0 HB1 ALA A 98 -9.537 -12.381 7.130 1.00 54.13 H new ATOM 0 HB2 ALA A 98 -8.121 -11.322 7.330 1.00 54.13 H new ATOM 0 HB3 ALA A 98 -9.309 -10.987 6.048 1.00 54.13 H new ATOM 1574 N SER A 99 -9.154 -12.747 3.478 1.00 14.01 N ATOM 1575 CA SER A 99 -9.915 -13.336 2.364 1.00 41.50 C ATOM 1576 C SER A 99 -9.035 -14.339 1.587 1.00 50.32 C ATOM 1577 O SER A 99 -9.549 -15.244 0.919 1.00 73.41 O ATOM 1578 CB SER A 99 -10.410 -12.209 1.425 1.00 72.51 C ATOM 1579 OG SER A 99 -11.211 -11.259 2.122 1.00 61.40 O ATOM 0 H SER A 99 -8.797 -11.813 3.277 1.00 14.01 H new ATOM 0 HA SER A 99 -10.777 -13.873 2.760 1.00 41.50 H new ATOM 0 HB2 SER A 99 -9.553 -11.705 0.978 1.00 72.51 H new ATOM 0 HB3 SER A 99 -10.987 -12.643 0.608 1.00 72.51 H new ATOM 0 HG SER A 99 -10.641 -10.716 2.705 1.00 61.40 H new ATOM 1585 N GLY A 100 -7.701 -14.153 1.692 1.00 0.25 N ATOM 1586 CA GLY A 100 -6.725 -15.031 1.051 1.00 41.52 C ATOM 1587 C GLY A 100 -6.621 -14.807 -0.449 1.00 54.20 C ATOM 1588 O GLY A 100 -6.402 -15.754 -1.212 1.00 20.14 O ATOM 0 H GLY A 100 -7.282 -13.390 2.224 1.00 0.25 H new ATOM 0 HA2 GLY A 100 -5.747 -14.872 1.505 1.00 41.52 H new ATOM 0 HA3 GLY A 100 -6.999 -16.069 1.240 1.00 41.52 H new ATOM 1592 N LEU A 101 -6.771 -13.540 -0.864 1.00 31.32 N ATOM 1593 CA LEU A 101 -6.761 -13.148 -2.283 1.00 51.21 C ATOM 1594 C LEU A 101 -5.310 -13.096 -2.829 1.00 13.22 C ATOM 1595 O LEU A 101 -4.395 -12.723 -2.087 1.00 3.15 O ATOM 1596 CB LEU A 101 -7.465 -11.775 -2.466 1.00 63.14 C ATOM 1597 CG LEU A 101 -8.946 -11.704 -1.994 1.00 15.33 C ATOM 1598 CD1 LEU A 101 -9.540 -10.296 -2.213 1.00 64.40 C ATOM 1599 CD2 LEU A 101 -9.808 -12.790 -2.674 1.00 12.11 C ATOM 0 H LEU A 101 -6.903 -12.756 -0.224 1.00 31.32 H new ATOM 0 HA LEU A 101 -7.309 -13.898 -2.853 1.00 51.21 H new ATOM 0 HB2 LEU A 101 -6.894 -11.021 -1.924 1.00 63.14 H new ATOM 0 HB3 LEU A 101 -7.427 -11.506 -3.522 1.00 63.14 H new ATOM 0 HG LEU A 101 -8.957 -11.902 -0.922 1.00 15.33 H new ATOM 0 HD11 LEU A 101 -10.575 -10.281 -1.873 1.00 64.40 H new ATOM 0 HD12 LEU A 101 -8.962 -9.565 -1.648 1.00 64.40 H new ATOM 0 HD13 LEU A 101 -9.503 -10.046 -3.273 1.00 64.40 H new ATOM 0 HD21 LEU A 101 -10.836 -12.712 -2.322 1.00 12.11 H new ATOM 0 HD22 LEU A 101 -9.783 -12.650 -3.755 1.00 12.11 H new ATOM 0 HD23 LEU A 101 -9.414 -13.776 -2.426 1.00 12.11 H new ATOM 1611 N PRO A 102 -5.081 -13.479 -4.134 1.00 51.14 N ATOM 1612 CA PRO A 102 -3.744 -13.396 -4.781 1.00 34.50 C ATOM 1613 C PRO A 102 -3.255 -11.931 -4.857 1.00 71.15 C ATOM 1614 O PRO A 102 -3.923 -11.086 -5.459 1.00 63.43 O ATOM 1615 CB PRO A 102 -3.985 -14.009 -6.191 1.00 32.41 C ATOM 1616 CG PRO A 102 -5.459 -13.890 -6.421 1.00 12.35 C ATOM 1617 CD PRO A 102 -6.102 -14.034 -5.065 1.00 24.42 C ATOM 0 HA PRO A 102 -2.964 -13.922 -4.231 1.00 34.50 H new ATOM 0 HB2 PRO A 102 -3.422 -13.473 -6.955 1.00 32.41 H new ATOM 0 HB3 PRO A 102 -3.663 -15.050 -6.229 1.00 32.41 H new ATOM 0 HG2 PRO A 102 -5.708 -12.929 -6.871 1.00 12.35 H new ATOM 0 HG3 PRO A 102 -5.811 -14.663 -7.104 1.00 12.35 H new ATOM 0 HD2 PRO A 102 -7.041 -13.483 -5.006 1.00 24.42 H new ATOM 0 HD3 PRO A 102 -6.329 -15.076 -4.837 1.00 24.42 H new ATOM 1625 N LEU A 103 -2.106 -11.663 -4.213 1.00 1.23 N ATOM 1626 CA LEU A 103 -1.527 -10.313 -4.037 1.00 23.13 C ATOM 1627 C LEU A 103 -1.391 -9.567 -5.382 1.00 22.44 C ATOM 1628 O LEU A 103 -1.894 -8.441 -5.542 1.00 50.03 O ATOM 1629 CB LEU A 103 -0.156 -10.463 -3.298 1.00 32.11 C ATOM 1630 CG LEU A 103 0.386 -9.224 -2.507 1.00 72.43 C ATOM 1631 CD1 LEU A 103 0.874 -8.088 -3.424 1.00 62.53 C ATOM 1632 CD2 LEU A 103 -0.663 -8.712 -1.499 1.00 2.33 C ATOM 0 H LEU A 103 -1.537 -12.396 -3.788 1.00 1.23 H new ATOM 0 HA LEU A 103 -2.196 -9.700 -3.433 1.00 23.13 H new ATOM 0 HB2 LEU A 103 -0.241 -11.295 -2.599 1.00 32.11 H new ATOM 0 HB3 LEU A 103 0.594 -10.743 -4.037 1.00 32.11 H new ATOM 0 HG LEU A 103 1.261 -9.568 -1.955 1.00 72.43 H new ATOM 0 HD11 LEU A 103 1.237 -7.260 -2.815 1.00 62.53 H new ATOM 0 HD12 LEU A 103 1.682 -8.454 -4.058 1.00 62.53 H new ATOM 0 HD13 LEU A 103 0.049 -7.745 -4.049 1.00 62.53 H new ATOM 0 HD21 LEU A 103 -0.263 -7.852 -0.963 1.00 2.33 H new ATOM 0 HD22 LEU A 103 -1.567 -8.418 -2.032 1.00 2.33 H new ATOM 0 HD23 LEU A 103 -0.902 -9.504 -0.789 1.00 2.33 H new ATOM 1644 N VAL A 104 -0.705 -10.209 -6.332 1.00 64.41 N ATOM 1645 CA VAL A 104 -0.546 -9.710 -7.705 1.00 50.34 C ATOM 1646 C VAL A 104 -1.118 -10.766 -8.660 1.00 51.42 C ATOM 1647 O VAL A 104 -0.496 -11.814 -8.864 1.00 61.11 O ATOM 1648 CB VAL A 104 0.961 -9.411 -8.068 1.00 4.30 C ATOM 1649 CG1 VAL A 104 1.084 -8.859 -9.504 1.00 10.42 C ATOM 1650 CG2 VAL A 104 1.623 -8.447 -7.050 1.00 52.21 C ATOM 0 H VAL A 104 -0.238 -11.101 -6.169 1.00 64.41 H new ATOM 0 HA VAL A 104 -1.080 -8.764 -7.797 1.00 50.34 H new ATOM 0 HB VAL A 104 1.498 -10.358 -8.015 1.00 4.30 H new ATOM 0 HG11 VAL A 104 2.132 -8.661 -9.729 1.00 10.42 H new ATOM 0 HG12 VAL A 104 0.693 -9.592 -10.210 1.00 10.42 H new ATOM 0 HG13 VAL A 104 0.514 -7.934 -9.588 1.00 10.42 H new ATOM 0 HG21 VAL A 104 2.659 -8.269 -7.338 1.00 52.21 H new ATOM 0 HG22 VAL A 104 1.081 -7.501 -7.039 1.00 52.21 H new ATOM 0 HG23 VAL A 104 1.595 -8.892 -6.056 1.00 52.21 H new ATOM 1660 N THR A 105 -2.303 -10.491 -9.217 1.00 62.32 N ATOM 1661 CA THR A 105 -3.035 -11.444 -10.065 1.00 42.22 C ATOM 1662 C THR A 105 -2.325 -11.685 -11.410 1.00 70.14 C ATOM 1663 O THR A 105 -2.058 -12.839 -11.770 1.00 4.43 O ATOM 1664 CB THR A 105 -4.506 -10.958 -10.293 1.00 3.42 C ATOM 1665 OG1 THR A 105 -4.517 -9.552 -10.594 1.00 75.32 O ATOM 1666 CG2 THR A 105 -5.394 -11.227 -9.072 1.00 53.45 C ATOM 0 H THR A 105 -2.784 -9.600 -9.093 1.00 62.32 H new ATOM 0 HA THR A 105 -3.058 -12.398 -9.538 1.00 42.22 H new ATOM 0 HB THR A 105 -4.911 -11.522 -11.133 1.00 3.42 H new ATOM 0 HG1 THR A 105 -5.440 -9.255 -10.737 1.00 75.32 H new ATOM 0 HG21 THR A 105 -6.406 -10.874 -9.273 1.00 53.45 H new ATOM 0 HG22 THR A 105 -5.417 -12.297 -8.867 1.00 53.45 H new ATOM 0 HG23 THR A 105 -4.992 -10.701 -8.206 1.00 53.45 H new ATOM 1674 N GLU A 106 -2.020 -10.598 -12.146 1.00 4.21 N ATOM 1675 CA GLU A 106 -1.356 -10.673 -13.475 1.00 61.51 C ATOM 1676 C GLU A 106 -0.260 -9.604 -13.580 1.00 54.14 C ATOM 1677 O GLU A 106 -0.548 -8.455 -13.910 1.00 34.25 O ATOM 1678 CB GLU A 106 -2.389 -10.519 -14.637 1.00 52.41 C ATOM 1679 CG GLU A 106 -3.460 -11.627 -14.700 1.00 43.54 C ATOM 1680 CD GLU A 106 -4.429 -11.481 -15.884 1.00 71.23 C ATOM 1681 OE1 GLU A 106 -5.238 -10.533 -15.884 1.00 21.33 O ATOM 1682 OE2 GLU A 106 -4.377 -12.305 -16.830 1.00 52.34 O ATOM 0 H GLU A 106 -2.223 -9.645 -11.843 1.00 4.21 H new ATOM 0 HA GLU A 106 -0.898 -11.658 -13.570 1.00 61.51 H new ATOM 0 HB2 GLU A 106 -2.888 -9.556 -14.535 1.00 52.41 H new ATOM 0 HB3 GLU A 106 -1.850 -10.500 -15.584 1.00 52.41 H new ATOM 0 HG2 GLU A 106 -2.965 -12.596 -14.764 1.00 43.54 H new ATOM 0 HG3 GLU A 106 -4.031 -11.622 -13.772 1.00 43.54 H new ATOM 1689 N GLU A 107 0.990 -9.982 -13.258 1.00 52.45 N ATOM 1690 CA GLU A 107 2.166 -9.091 -13.374 1.00 54.13 C ATOM 1691 C GLU A 107 2.728 -9.119 -14.826 1.00 53.24 C ATOM 1692 O GLU A 107 3.586 -9.975 -15.146 1.00 34.34 O ATOM 1693 CB GLU A 107 3.251 -9.448 -12.291 1.00 64.31 C ATOM 1694 CG GLU A 107 3.417 -10.952 -11.970 1.00 1.30 C ATOM 1695 CD GLU A 107 4.563 -11.247 -10.991 1.00 64.25 C ATOM 1696 OE1 GLU A 107 4.342 -11.185 -9.757 1.00 70.23 O ATOM 1697 OE2 GLU A 107 5.683 -11.564 -11.458 1.00 33.13 O ATOM 1698 OXT GLU A 107 2.281 -8.297 -15.661 1.00 37.98 O ATOM 0 H GLU A 107 1.217 -10.913 -12.910 1.00 52.45 H new ATOM 0 HA GLU A 107 1.856 -8.065 -13.173 1.00 54.13 H new ATOM 0 HB2 GLU A 107 4.213 -9.060 -12.627 1.00 64.31 H new ATOM 0 HB3 GLU A 107 3.001 -8.925 -11.368 1.00 64.31 H new ATOM 0 HG2 GLU A 107 2.485 -11.331 -11.551 1.00 1.30 H new ATOM 0 HG3 GLU A 107 3.593 -11.496 -12.898 1.00 1.30 H new TER 1705 GLU A 107