USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 65 GLN : amide:sc= -0.156 K(o=-4.4,f=-8.2) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= -1.17 USER MOD Set 1.3: A 91 ASN : amide:sc= -3.04 K(o=-4.4,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0708 (180deg=0) USER MOD Single : A 3 MET CE :methyl 157:sc= -0.0074 (180deg=-0.45) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc=-0.00368 (180deg=-0.126) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc=0.000213 K(o=0.00021,f=-3.9!) USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.94! USER MOD Single : A 25 SER OG : rot 50:sc= 0.00406 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -98:sc= -0.693 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00531 USER MOD Single : A 38 ASN : amide:sc= -4.21! C(o=-4.2!,f=-9.3!) USER MOD Single : A 39 ASN : amide:sc= -0.0731 X(o=-0.073,f=-0.53) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= 1.77 (180deg=0.829) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.094) USER MOD Single : A 51 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.28) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.359 F(o=-1,f=-0.36) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 0.403 (180deg=-0.332) USER MOD Single : A 73 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1.1!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.907 F(o=-2.9,f=-0.91) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 THR OG1 : rot 180:sc=-0.00304 USER MOD Single : A 92 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.044) USER MOD Single : A 95 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-4.8!) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc=-0.000361 (180deg=-0.53) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.289 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.329 -3.670 -15.017 1.00 63.34 N ATOM 2 CA GLY A 1 1.649 -3.625 -14.416 1.00 14.23 C ATOM 3 C GLY A 1 1.642 -4.070 -12.967 1.00 43.10 C ATOM 4 O GLY A 1 0.582 -4.289 -12.383 1.00 15.45 O ATOM 0 H1 GLY A 1 0.302 -4.417 -15.740 1.00 63.34 H new ATOM 0 H2 GLY A 1 -0.380 -3.873 -14.283 1.00 63.34 H new ATOM 0 H3 GLY A 1 0.117 -2.753 -15.459 1.00 63.34 H new ATOM 0 HA2 GLY A 1 2.326 -4.262 -14.985 1.00 14.23 H new ATOM 0 HA3 GLY A 1 2.039 -2.609 -14.479 1.00 14.23 H new ATOM 8 N ALA A 2 2.830 -4.206 -12.387 1.00 24.51 N ATOM 9 CA ALA A 2 2.956 -4.627 -10.997 1.00 65.14 C ATOM 10 C ALA A 2 4.333 -4.280 -10.441 1.00 42.31 C ATOM 11 O ALA A 2 5.350 -4.486 -11.103 1.00 52.34 O ATOM 12 CB ALA A 2 2.698 -6.122 -10.873 1.00 23.42 C ATOM 0 H ALA A 2 3.718 -4.031 -12.857 1.00 24.51 H new ATOM 0 HA ALA A 2 2.210 -4.090 -10.412 1.00 65.14 H new ATOM 0 HB1 ALA A 2 2.795 -6.423 -9.830 1.00 23.42 H new ATOM 0 HB2 ALA A 2 1.691 -6.348 -11.223 1.00 23.42 H new ATOM 0 HB3 ALA A 2 3.423 -6.668 -11.477 1.00 23.42 H new ATOM 18 N MET A 3 4.358 -3.750 -9.222 1.00 62.32 N ATOM 19 CA MET A 3 5.612 -3.374 -8.578 1.00 53.34 C ATOM 20 C MET A 3 5.728 -4.017 -7.199 1.00 32.04 C ATOM 21 O MET A 3 4.723 -4.340 -6.567 1.00 31.52 O ATOM 22 CB MET A 3 5.709 -1.853 -8.453 1.00 31.24 C ATOM 23 CG MET A 3 6.113 -1.162 -9.746 1.00 14.30 C ATOM 24 SD MET A 3 7.843 -1.447 -10.173 1.00 64.35 S ATOM 25 CE MET A 3 7.675 -2.135 -11.818 1.00 74.50 C ATOM 0 H MET A 3 3.525 -3.571 -8.661 1.00 62.32 H new ATOM 0 HA MET A 3 6.433 -3.734 -9.198 1.00 53.34 H new ATOM 0 HB2 MET A 3 4.746 -1.461 -8.127 1.00 31.24 H new ATOM 0 HB3 MET A 3 6.433 -1.606 -7.677 1.00 31.24 H new ATOM 0 HG2 MET A 3 5.479 -1.518 -10.558 1.00 14.30 H new ATOM 0 HG3 MET A 3 5.938 -0.090 -9.651 1.00 14.30 H new ATOM 0 HE1 MET A 3 8.603 -1.988 -12.370 1.00 74.50 H new ATOM 0 HE2 MET A 3 7.460 -3.201 -11.746 1.00 74.50 H new ATOM 0 HE3 MET A 3 6.859 -1.635 -12.340 1.00 74.50 H new ATOM 35 N GLY A 4 6.962 -4.202 -6.740 1.00 13.52 N ATOM 36 CA GLY A 4 7.186 -4.806 -5.440 1.00 41.32 C ATOM 37 C GLY A 4 7.787 -6.195 -5.542 1.00 0.21 C ATOM 38 O GLY A 4 7.117 -7.190 -5.265 1.00 74.44 O ATOM 0 H GLY A 4 7.810 -3.944 -7.245 1.00 13.52 H new ATOM 0 HA2 GLY A 4 7.850 -4.168 -4.856 1.00 41.32 H new ATOM 0 HA3 GLY A 4 6.240 -4.861 -4.901 1.00 41.32 H new ATOM 42 N ILE A 5 9.053 -6.262 -5.941 1.00 64.00 N ATOM 43 CA ILE A 5 9.742 -7.538 -6.079 1.00 35.42 C ATOM 44 C ILE A 5 10.881 -7.661 -5.072 1.00 53.02 C ATOM 45 O ILE A 5 11.921 -7.017 -5.216 1.00 23.51 O ATOM 46 CB ILE A 5 10.307 -7.723 -7.500 1.00 41.43 C ATOM 47 CG1 ILE A 5 9.181 -7.640 -8.534 1.00 12.44 C ATOM 48 CG2 ILE A 5 11.039 -9.052 -7.611 1.00 24.23 C ATOM 49 CD1 ILE A 5 9.671 -7.373 -9.940 1.00 72.31 C ATOM 0 H ILE A 5 9.621 -5.448 -6.174 1.00 64.00 H new ATOM 0 HA ILE A 5 9.004 -8.316 -5.886 1.00 35.42 H new ATOM 0 HB ILE A 5 11.019 -6.922 -7.700 1.00 41.43 H new ATOM 0 HG12 ILE A 5 8.620 -8.575 -8.525 1.00 12.44 H new ATOM 0 HG13 ILE A 5 8.489 -6.850 -8.243 1.00 12.44 H new ATOM 0 HG21 ILE A 5 11.432 -9.168 -8.621 1.00 24.23 H new ATOM 0 HG22 ILE A 5 11.862 -9.075 -6.896 1.00 24.23 H new ATOM 0 HG23 ILE A 5 10.348 -9.867 -7.395 1.00 24.23 H new ATOM 0 HD11 ILE A 5 8.820 -7.327 -10.619 1.00 72.31 H new ATOM 0 HD12 ILE A 5 10.207 -6.424 -9.965 1.00 72.31 H new ATOM 0 HD13 ILE A 5 10.340 -8.175 -10.251 1.00 72.31 H new ATOM 61 N ARG A 6 10.677 -8.489 -4.054 1.00 0.33 N ATOM 62 CA ARG A 6 11.688 -8.696 -3.024 1.00 65.43 C ATOM 63 C ARG A 6 12.708 -9.743 -3.463 1.00 71.04 C ATOM 64 O ARG A 6 12.346 -10.852 -3.850 1.00 42.40 O ATOM 65 CB ARG A 6 11.029 -9.130 -1.713 1.00 21.24 C ATOM 66 CG ARG A 6 10.280 -8.011 -1.007 1.00 61.32 C ATOM 67 CD ARG A 6 11.233 -7.072 -0.286 1.00 42.52 C ATOM 68 NE ARG A 6 11.923 -7.734 0.818 1.00 52.44 N ATOM 69 CZ ARG A 6 12.559 -7.081 1.784 1.00 73.22 C ATOM 70 NH1 ARG A 6 12.595 -5.756 1.780 1.00 25.15 N1+ ATOM 71 NH2 ARG A 6 13.163 -7.753 2.755 1.00 73.02 N ATOM 0 H ARG A 6 9.821 -9.028 -3.920 1.00 0.33 H new ATOM 0 HA ARG A 6 12.208 -7.751 -2.867 1.00 65.43 H new ATOM 0 HB2 ARG A 6 10.336 -9.947 -1.917 1.00 21.24 H new ATOM 0 HB3 ARG A 6 11.795 -9.522 -1.044 1.00 21.24 H new ATOM 0 HG2 ARG A 6 9.694 -7.449 -1.734 1.00 61.32 H new ATOM 0 HG3 ARG A 6 9.577 -8.437 -0.292 1.00 61.32 H new ATOM 0 HD2 ARG A 6 11.967 -6.687 -0.994 1.00 42.52 H new ATOM 0 HD3 ARG A 6 10.678 -6.215 0.095 1.00 42.52 H new ATOM 0 HE ARG A 6 11.916 -8.754 0.849 1.00 52.44 H new ATOM 0 HH11 ARG A 6 12.134 -5.236 1.034 1.00 25.15 H new ATOM 0 HH12 ARG A 6 13.084 -5.257 2.523 1.00 25.15 H new ATOM 0 HH21 ARG A 6 13.139 -8.773 2.761 1.00 73.02 H new ATOM 0 HH22 ARG A 6 13.651 -7.250 3.496 1.00 73.02 H new ATOM 85 N ASN A 7 13.985 -9.379 -3.402 1.00 13.20 N ATOM 86 CA ASN A 7 15.057 -10.286 -3.794 1.00 45.33 C ATOM 87 C ASN A 7 15.802 -10.811 -2.571 1.00 33.44 C ATOM 88 O ASN A 7 15.453 -10.491 -1.434 1.00 3.42 O ATOM 89 CB ASN A 7 16.035 -9.576 -4.733 1.00 11.54 C ATOM 90 CG ASN A 7 15.417 -9.268 -6.084 1.00 4.15 C ATOM 91 OD1 ASN A 7 15.161 -8.110 -6.412 1.00 3.22 O ATOM 92 ND2 ASN A 7 15.176 -10.306 -6.875 1.00 3.20 N ATOM 0 H ASN A 7 14.302 -8.463 -3.085 1.00 13.20 H new ATOM 0 HA ASN A 7 14.610 -11.132 -4.315 1.00 45.33 H new ATOM 0 HB2 ASN A 7 16.371 -8.648 -4.270 1.00 11.54 H new ATOM 0 HB3 ASN A 7 16.918 -10.200 -4.874 1.00 11.54 H new ATOM 0 HD21 ASN A 7 14.762 -10.160 -7.796 1.00 3.20 H new ATOM 0 HD22 ASN A 7 15.404 -11.250 -6.562 1.00 3.20 H new ATOM 99 N SER A 8 16.828 -11.620 -2.811 1.00 51.52 N ATOM 100 CA SER A 8 17.621 -12.193 -1.729 1.00 3.35 C ATOM 101 C SER A 8 19.031 -11.609 -1.720 1.00 14.20 C ATOM 102 O SER A 8 19.373 -10.773 -2.556 1.00 74.10 O ATOM 103 CB SER A 8 17.686 -13.714 -1.866 1.00 41.20 C ATOM 104 OG SER A 8 16.531 -14.327 -1.320 1.00 74.30 O ATOM 0 H SER A 8 17.130 -11.894 -3.746 1.00 51.52 H new ATOM 0 HA SER A 8 17.137 -11.942 -0.785 1.00 3.35 H new ATOM 0 HB2 SER A 8 17.781 -13.983 -2.918 1.00 41.20 H new ATOM 0 HB3 SER A 8 18.575 -14.090 -1.359 1.00 41.20 H new ATOM 0 HG SER A 8 16.597 -15.299 -1.422 1.00 74.30 H new ATOM 110 N ASP A 9 19.844 -12.059 -0.771 1.00 33.24 N ATOM 111 CA ASP A 9 21.218 -11.583 -0.653 1.00 0.23 C ATOM 112 C ASP A 9 22.128 -12.305 -1.641 1.00 74.45 C ATOM 113 O ASP A 9 22.747 -11.678 -2.502 1.00 44.03 O ATOM 114 CB ASP A 9 21.729 -11.788 0.774 1.00 65.43 C ATOM 115 CG ASP A 9 23.039 -11.068 1.028 1.00 72.35 C ATOM 116 OD1 ASP A 9 23.715 -10.700 0.043 1.00 63.20 O ATOM 117 OD2 ASP A 9 23.388 -10.870 2.211 1.00 12.21 O1- ATOM 0 H ASP A 9 19.576 -12.752 -0.072 1.00 33.24 H new ATOM 0 HA ASP A 9 21.231 -10.518 -0.886 1.00 0.23 H new ATOM 0 HB2 ASP A 9 20.979 -11.432 1.480 1.00 65.43 H new ATOM 0 HB3 ASP A 9 21.861 -12.854 0.960 1.00 65.43 H new ATOM 122 N SER A 10 22.207 -13.626 -1.511 1.00 44.32 N ATOM 123 CA SER A 10 23.046 -14.431 -2.389 1.00 60.54 C ATOM 124 C SER A 10 22.541 -15.869 -2.455 1.00 53.01 C ATOM 125 O SER A 10 22.135 -16.444 -1.445 1.00 11.00 O ATOM 126 CB SER A 10 24.498 -14.411 -1.904 1.00 14.42 C ATOM 127 OG SER A 10 24.656 -15.199 -0.737 1.00 40.32 O ATOM 0 H SER A 10 21.700 -14.161 -0.806 1.00 44.32 H new ATOM 0 HA SER A 10 22.999 -14.001 -3.389 1.00 60.54 H new ATOM 0 HB2 SER A 10 25.153 -14.785 -2.691 1.00 14.42 H new ATOM 0 HB3 SER A 10 24.802 -13.385 -1.698 1.00 14.42 H new ATOM 0 HG SER A 10 25.592 -15.172 -0.448 1.00 40.32 H new ATOM 133 N VAL A 11 22.567 -16.445 -3.653 1.00 12.51 N ATOM 134 CA VAL A 11 22.112 -17.816 -3.852 1.00 73.33 C ATOM 135 C VAL A 11 22.862 -18.482 -5.002 1.00 44.25 C ATOM 136 O VAL A 11 23.106 -17.865 -6.038 1.00 32.44 O ATOM 137 CB VAL A 11 20.601 -17.869 -4.141 1.00 71.11 C ATOM 138 CG1 VAL A 11 19.809 -17.410 -2.926 1.00 63.52 C ATOM 139 CG2 VAL A 11 20.261 -17.025 -5.359 1.00 40.43 C ATOM 0 H VAL A 11 22.898 -15.983 -4.500 1.00 12.51 H new ATOM 0 HA VAL A 11 22.317 -18.355 -2.927 1.00 73.33 H new ATOM 0 HB VAL A 11 20.326 -18.902 -4.356 1.00 71.11 H new ATOM 0 HG11 VAL A 11 18.743 -17.454 -3.149 1.00 63.52 H new ATOM 0 HG12 VAL A 11 20.030 -18.061 -2.080 1.00 63.52 H new ATOM 0 HG13 VAL A 11 20.086 -16.385 -2.677 1.00 63.52 H new ATOM 0 HG21 VAL A 11 19.189 -17.075 -5.548 1.00 40.43 H new ATOM 0 HG22 VAL A 11 20.550 -15.990 -5.177 1.00 40.43 H new ATOM 0 HG23 VAL A 11 20.800 -17.405 -6.227 1.00 40.43 H new ATOM 149 N LYS A 12 23.224 -19.745 -4.811 1.00 63.22 N ATOM 150 CA LYS A 12 23.944 -20.498 -5.831 1.00 2.41 C ATOM 151 C LYS A 12 23.300 -21.861 -6.059 1.00 52.31 C ATOM 152 O LYS A 12 23.862 -22.904 -5.722 1.00 31.42 O ATOM 153 CB LYS A 12 25.409 -20.675 -5.424 1.00 22.03 C ATOM 154 CG LYS A 12 26.224 -19.397 -5.510 1.00 42.32 C ATOM 155 CD LYS A 12 27.536 -19.521 -4.755 1.00 50.11 C ATOM 156 CE LYS A 12 28.416 -20.615 -5.341 1.00 4.43 C ATOM 157 NZ LYS A 12 28.844 -20.296 -6.731 1.00 44.32 N1+ ATOM 0 H LYS A 12 23.030 -20.270 -3.958 1.00 63.22 H new ATOM 0 HA LYS A 12 23.897 -19.935 -6.763 1.00 2.41 H new ATOM 0 HB2 LYS A 12 25.450 -21.054 -4.403 1.00 22.03 H new ATOM 0 HB3 LYS A 12 25.866 -21.431 -6.063 1.00 22.03 H new ATOM 0 HG2 LYS A 12 26.425 -19.162 -6.555 1.00 42.32 H new ATOM 0 HG3 LYS A 12 25.646 -18.568 -5.103 1.00 42.32 H new ATOM 0 HD2 LYS A 12 28.067 -18.570 -4.787 1.00 50.11 H new ATOM 0 HD3 LYS A 12 27.334 -19.738 -3.706 1.00 50.11 H new ATOM 0 HE2 LYS A 12 29.296 -20.750 -4.712 1.00 4.43 H new ATOM 0 HE3 LYS A 12 27.873 -21.560 -5.336 1.00 4.43 H new ATOM 0 HZ1 LYS A 12 29.572 -20.974 -7.034 1.00 44.32 H new ATOM 0 HZ2 LYS A 12 28.025 -20.359 -7.369 1.00 44.32 H new ATOM 0 HZ3 LYS A 12 29.234 -19.332 -6.762 1.00 44.32 H new ATOM 171 N PRO A 13 22.092 -21.856 -6.643 1.00 10.14 N ATOM 172 CA PRO A 13 21.346 -23.084 -6.931 1.00 54.14 C ATOM 173 C PRO A 13 21.991 -23.908 -8.042 1.00 54.21 C ATOM 174 O PRO A 13 21.783 -25.118 -8.132 1.00 71.31 O ATOM 175 CB PRO A 13 19.974 -22.571 -7.372 1.00 30.31 C ATOM 176 CG PRO A 13 20.232 -21.201 -7.894 1.00 3.34 C ATOM 177 CD PRO A 13 21.364 -20.650 -7.070 1.00 23.43 C ATOM 0 HA PRO A 13 21.309 -23.750 -6.069 1.00 54.14 H new ATOM 0 HB2 PRO A 13 19.540 -23.212 -8.139 1.00 30.31 H new ATOM 0 HB3 PRO A 13 19.272 -22.551 -6.538 1.00 30.31 H new ATOM 0 HG2 PRO A 13 20.497 -21.230 -8.951 1.00 3.34 H new ATOM 0 HG3 PRO A 13 19.344 -20.576 -7.805 1.00 3.34 H new ATOM 0 HD2 PRO A 13 21.998 -19.983 -7.654 1.00 23.43 H new ATOM 0 HD3 PRO A 13 20.999 -20.078 -6.217 1.00 23.43 H new ATOM 185 N THR A 14 22.773 -23.243 -8.887 1.00 53.53 N ATOM 186 CA THR A 14 23.446 -23.913 -9.992 1.00 33.10 C ATOM 187 C THR A 14 24.912 -24.173 -9.667 1.00 54.53 C ATOM 188 O THR A 14 25.428 -23.689 -8.659 1.00 73.25 O ATOM 189 CB THR A 14 23.359 -23.084 -11.287 1.00 14.34 C ATOM 190 OG1 THR A 14 23.516 -21.693 -10.990 1.00 70.42 O ATOM 191 CG2 THR A 14 22.027 -23.312 -11.986 1.00 30.35 C ATOM 0 H THR A 14 22.956 -22.241 -8.827 1.00 53.53 H new ATOM 0 HA THR A 14 22.936 -24.864 -10.142 1.00 33.10 H new ATOM 0 HB THR A 14 24.160 -23.405 -11.953 1.00 14.34 H new ATOM 0 HG1 THR A 14 23.461 -21.173 -11.819 1.00 70.42 H new ATOM 0 HG21 THR A 14 21.988 -22.716 -12.898 1.00 30.35 H new ATOM 0 HG22 THR A 14 21.924 -24.368 -12.237 1.00 30.35 H new ATOM 0 HG23 THR A 14 21.213 -23.016 -11.324 1.00 30.35 H new ATOM 199 N GLN A 15 25.579 -24.937 -10.527 1.00 5.14 N ATOM 200 CA GLN A 15 26.987 -25.260 -10.329 1.00 24.42 C ATOM 201 C GLN A 15 27.882 -24.199 -10.960 1.00 25.13 C ATOM 202 O GLN A 15 27.396 -23.229 -11.541 1.00 73.42 O ATOM 203 CB GLN A 15 27.305 -26.633 -10.923 1.00 41.13 C ATOM 204 CG GLN A 15 27.294 -27.756 -9.898 1.00 22.02 C ATOM 205 CD GLN A 15 27.499 -29.121 -10.526 1.00 32.31 C ATOM 206 OE1 GLN A 15 26.594 -29.670 -11.154 1.00 23.15 O ATOM 207 NE2 GLN A 15 28.693 -29.676 -10.359 1.00 45.44 N ATOM 0 H GLN A 15 25.167 -25.343 -11.367 1.00 5.14 H new ATOM 0 HA GLN A 15 27.182 -25.282 -9.257 1.00 24.42 H new ATOM 0 HB2 GLN A 15 26.580 -26.858 -11.705 1.00 41.13 H new ATOM 0 HB3 GLN A 15 28.285 -26.596 -11.399 1.00 41.13 H new ATOM 0 HG2 GLN A 15 28.077 -27.578 -9.161 1.00 22.02 H new ATOM 0 HG3 GLN A 15 26.344 -27.745 -9.363 1.00 22.02 H new ATOM 0 HE21 GLN A 15 29.414 -29.185 -9.831 1.00 45.44 H new ATOM 0 HE22 GLN A 15 28.889 -30.594 -10.759 1.00 45.44 H new ATOM 216 N GLN A 16 29.192 -24.392 -10.843 1.00 15.24 N ATOM 217 CA GLN A 16 30.155 -23.451 -11.402 1.00 33.41 C ATOM 218 C GLN A 16 30.222 -23.578 -12.922 1.00 0.11 C ATOM 219 O GLN A 16 30.333 -24.680 -13.457 1.00 63.22 O ATOM 220 CB GLN A 16 31.540 -23.686 -10.798 1.00 34.23 C ATOM 221 CG GLN A 16 32.586 -22.687 -11.266 1.00 62.45 C ATOM 222 CD GLN A 16 32.185 -21.252 -10.995 1.00 13.03 C ATOM 223 OE1 GLN A 16 31.541 -20.606 -11.824 1.00 65.14 O ATOM 224 NE2 GLN A 16 32.564 -20.741 -9.829 1.00 60.21 N ATOM 0 H GLN A 16 29.610 -25.191 -10.366 1.00 15.24 H new ATOM 0 HA GLN A 16 29.825 -22.442 -11.154 1.00 33.41 H new ATOM 0 HB2 GLN A 16 31.466 -23.640 -9.712 1.00 34.23 H new ATOM 0 HB3 GLN A 16 31.872 -24.693 -11.052 1.00 34.23 H new ATOM 0 HG2 GLN A 16 33.532 -22.896 -10.766 1.00 62.45 H new ATOM 0 HG3 GLN A 16 32.755 -22.817 -12.335 1.00 62.45 H new ATOM 0 HE21 GLN A 16 33.096 -21.311 -9.171 1.00 60.21 H new ATOM 0 HE22 GLN A 16 32.323 -19.779 -9.591 1.00 60.21 H new ATOM 233 N ALA A 17 30.153 -22.443 -13.609 1.00 12.42 N ATOM 234 CA ALA A 17 30.207 -22.428 -15.065 1.00 42.35 C ATOM 235 C ALA A 17 30.193 -20.999 -15.600 1.00 62.44 C ATOM 236 O ALA A 17 29.652 -20.094 -14.966 1.00 42.53 O ATOM 237 CB ALA A 17 29.045 -23.221 -15.645 1.00 33.33 C ATOM 0 H ALA A 17 30.060 -21.522 -13.181 1.00 12.42 H new ATOM 0 HA ALA A 17 31.142 -22.896 -15.374 1.00 42.35 H new ATOM 0 HB1 ALA A 17 29.098 -23.201 -16.734 1.00 33.33 H new ATOM 0 HB2 ALA A 17 29.099 -24.253 -15.298 1.00 33.33 H new ATOM 0 HB3 ALA A 17 28.104 -22.778 -15.320 1.00 33.33 H new ATOM 243 N ARG A 18 30.793 -20.805 -16.769 1.00 70.43 N ATOM 244 CA ARG A 18 30.852 -19.486 -17.388 1.00 32.44 C ATOM 245 C ARG A 18 29.499 -19.103 -17.981 1.00 34.41 C ATOM 246 O ARG A 18 28.703 -19.955 -18.375 1.00 12.32 O ATOM 247 CB ARG A 18 31.925 -19.458 -18.478 1.00 12.31 C ATOM 248 CG ARG A 18 33.087 -18.530 -18.165 1.00 64.34 C ATOM 249 CD ARG A 18 33.320 -17.530 -19.286 1.00 1.20 C ATOM 250 NE ARG A 18 34.253 -16.476 -18.895 1.00 31.54 N ATOM 251 CZ ARG A 18 35.573 -16.616 -18.924 1.00 74.52 C ATOM 252 NH1 ARG A 18 36.114 -17.758 -19.323 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 36.356 -15.610 -18.553 1.00 25.53 N ATOM 0 H ARG A 18 31.245 -21.544 -17.307 1.00 70.43 H new ATOM 0 HA ARG A 18 31.109 -18.761 -16.616 1.00 32.44 H new ATOM 0 HB2 ARG A 18 32.307 -20.468 -18.626 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.468 -19.150 -19.418 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.887 -17.996 -17.236 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.991 -19.118 -18.007 1.00 64.34 H new ATOM 0 HD2 ARG A 18 33.708 -18.051 -20.161 1.00 1.20 H new ATOM 0 HD3 ARG A 18 32.369 -17.083 -19.576 1.00 1.20 H new ATOM 0 HE ARG A 18 33.869 -15.584 -18.583 1.00 31.54 H new ATOM 0 HH11 ARG A 18 35.516 -18.533 -19.609 1.00 5.14 H new ATOM 0 HH12 ARG A 18 37.128 -17.862 -19.344 1.00 5.14 H new ATOM 0 HH21 ARG A 18 35.944 -14.729 -18.246 1.00 25.53 H new ATOM 0 HH22 ARG A 18 37.370 -15.718 -18.575 1.00 25.53 H new ATOM 267 N PRO A 19 29.232 -17.791 -18.048 1.00 3.15 N ATOM 268 CA PRO A 19 27.977 -17.264 -18.592 1.00 23.40 C ATOM 269 C PRO A 19 27.870 -17.463 -20.100 1.00 70.32 C ATOM 270 O PRO A 19 28.865 -17.734 -20.773 1.00 5.33 O ATOM 271 CB PRO A 19 28.039 -15.774 -18.251 1.00 44.10 C ATOM 272 CG PRO A 19 29.494 -15.471 -18.140 1.00 71.22 C ATOM 273 CD PRO A 19 30.136 -16.718 -17.598 1.00 71.44 C ATOM 0 HA PRO A 19 27.107 -17.773 -18.176 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.567 -15.170 -19.026 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.518 -15.559 -17.318 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.913 -15.207 -19.111 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.667 -14.623 -17.477 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.145 -16.853 -17.988 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.216 -16.689 -16.511 1.00 71.44 H new ATOM 281 N THR A 20 26.657 -17.324 -20.626 1.00 62.41 N ATOM 282 CA THR A 20 26.421 -17.488 -22.055 1.00 11.43 C ATOM 283 C THR A 20 26.516 -16.153 -22.785 1.00 21.11 C ATOM 284 O THR A 20 26.257 -15.098 -22.206 1.00 33.42 O ATOM 285 CB THR A 20 25.038 -18.111 -22.327 1.00 72.41 C ATOM 286 OG1 THR A 20 24.954 -18.538 -23.691 1.00 51.10 O ATOM 287 CG2 THR A 20 23.928 -17.115 -22.032 1.00 52.22 C ATOM 0 H THR A 20 25.823 -17.098 -20.084 1.00 62.41 H new ATOM 0 HA THR A 20 27.195 -18.159 -22.428 1.00 11.43 H new ATOM 0 HB THR A 20 24.915 -18.971 -21.669 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.143 -19.074 -23.817 1.00 51.10 H new ATOM 0 HG21 THR A 20 22.961 -17.578 -22.231 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.977 -16.815 -20.985 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.048 -16.238 -22.667 1.00 52.22 H new ATOM 295 N VAL A 21 26.889 -16.206 -24.059 1.00 64.42 N ATOM 296 CA VAL A 21 27.017 -15.000 -24.869 1.00 34.44 C ATOM 297 C VAL A 21 25.818 -14.832 -25.796 1.00 4.33 C ATOM 298 O VAL A 21 25.747 -15.456 -26.855 1.00 53.11 O ATOM 299 CB VAL A 21 28.305 -15.026 -25.713 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.405 -13.775 -26.573 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.526 -15.164 -24.817 1.00 42.33 C ATOM 0 H VAL A 21 27.108 -17.071 -24.553 1.00 64.42 H new ATOM 0 HA VAL A 21 27.060 -14.157 -24.179 1.00 34.44 H new ATOM 0 HB VAL A 21 28.268 -15.892 -26.374 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.321 -13.811 -27.162 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.545 -13.723 -27.241 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.420 -12.893 -25.932 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.427 -15.181 -25.430 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.570 -14.319 -24.130 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.457 -16.091 -24.248 1.00 42.33 H new ATOM 311 N ILE A 22 24.880 -13.983 -25.391 1.00 22.23 N ATOM 312 CA ILE A 22 23.685 -13.731 -26.187 1.00 2.23 C ATOM 313 C ILE A 22 23.443 -12.235 -26.357 1.00 11.25 C ATOM 314 O ILE A 22 23.605 -11.459 -25.414 1.00 71.43 O ATOM 315 CB ILE A 22 22.438 -14.372 -25.549 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.295 -15.825 -26.005 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.191 -13.575 -25.904 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.891 -16.824 -25.036 1.00 75.24 C ATOM 0 H ILE A 22 24.924 -13.458 -24.517 1.00 22.23 H new ATOM 0 HA ILE A 22 23.856 -14.182 -27.164 1.00 2.23 H new ATOM 0 HB ILE A 22 22.556 -14.360 -24.466 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.238 -16.052 -26.144 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.776 -15.942 -26.976 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.319 -14.041 -25.446 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.294 -12.555 -25.534 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.066 -13.558 -26.987 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.753 -17.833 -25.424 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.956 -16.624 -24.916 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.394 -16.735 -24.070 1.00 75.24 H new ATOM 330 N ARG A 23 23.052 -11.837 -27.563 1.00 22.13 N ATOM 331 CA ARG A 23 22.786 -10.434 -27.855 1.00 2.21 C ATOM 332 C ARG A 23 21.777 -10.297 -28.992 1.00 24.52 C ATOM 333 O ARG A 23 22.100 -10.536 -30.155 1.00 2.42 O ATOM 334 CB ARG A 23 24.085 -9.713 -28.224 1.00 42.34 C ATOM 335 CG ARG A 23 24.917 -10.451 -29.261 1.00 24.01 C ATOM 336 CD ARG A 23 25.504 -9.494 -30.286 1.00 73.43 C ATOM 337 NE ARG A 23 26.951 -9.650 -30.416 1.00 13.23 N ATOM 338 CZ ARG A 23 27.822 -9.191 -29.523 1.00 71.22 C ATOM 339 NH1 ARG A 23 27.395 -8.553 -28.443 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 29.123 -9.372 -29.711 1.00 52.22 N ATOM 0 H ARG A 23 22.912 -12.466 -28.353 1.00 22.13 H new ATOM 0 HA ARG A 23 22.365 -9.976 -26.960 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.844 -8.720 -28.603 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.682 -9.574 -27.323 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.722 -10.993 -28.765 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.297 -11.192 -29.766 1.00 24.01 H new ATOM 0 HD2 ARG A 23 25.033 -9.666 -31.254 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.275 -8.468 -29.997 1.00 73.43 H new ATOM 0 HE ARG A 23 27.312 -10.137 -31.236 1.00 13.23 H new ATOM 0 HH11 ARG A 23 26.396 -8.413 -28.295 1.00 41.22 H new ATOM 0 HH12 ARG A 23 28.066 -8.202 -27.759 1.00 41.22 H new ATOM 0 HH21 ARG A 23 29.455 -9.863 -30.541 1.00 52.22 H new ATOM 0 HH22 ARG A 23 29.791 -9.020 -29.026 1.00 52.22 H new ATOM 354 N TRP A 24 20.554 -9.912 -28.646 1.00 71.11 N ATOM 355 CA TRP A 24 19.497 -9.744 -29.636 1.00 14.11 C ATOM 356 C TRP A 24 18.997 -8.304 -29.660 1.00 74.11 C ATOM 357 O TRP A 24 18.678 -7.730 -28.619 1.00 40.02 O ATOM 358 CB TRP A 24 18.335 -10.695 -29.338 1.00 23.53 C ATOM 359 CG TRP A 24 17.137 -10.457 -30.206 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.063 -9.662 -29.921 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.888 -11.022 -31.498 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.163 -9.698 -30.959 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.646 -10.524 -31.939 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.595 -11.898 -32.327 1.00 55.20 C ATOM 365 CZ2 TRP A 24 15.098 -10.876 -33.169 1.00 23.31 C ATOM 366 CZ3 TRP A 24 17.050 -12.245 -33.548 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.811 -11.735 -33.960 1.00 42.54 C ATOM 0 H TRP A 24 20.270 -9.710 -27.687 1.00 71.11 H new ATOM 0 HA TRP A 24 19.911 -9.982 -30.616 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.673 -11.723 -29.471 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.045 -10.587 -28.293 1.00 23.53 H new ATOM 0 HD1 TRP A 24 15.939 -9.090 -29.014 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.278 -9.191 -30.994 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.550 -12.296 -32.018 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.143 -10.485 -33.488 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.588 -12.921 -34.196 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.412 -12.026 -34.920 1.00 42.54 H new ATOM 378 N SER A 25 18.932 -7.724 -30.855 1.00 14.13 N ATOM 379 CA SER A 25 18.474 -6.349 -31.013 1.00 42.24 C ATOM 380 C SER A 25 17.437 -6.247 -32.128 1.00 64.44 C ATOM 381 O SER A 25 17.775 -6.291 -33.310 1.00 51.21 O ATOM 382 CB SER A 25 19.656 -5.428 -31.315 1.00 73.05 C ATOM 383 OG SER A 25 20.584 -6.055 -32.182 1.00 65.11 O ATOM 0 H SER A 25 19.191 -8.185 -31.727 1.00 14.13 H new ATOM 0 HA SER A 25 18.009 -6.037 -30.078 1.00 42.24 H new ATOM 0 HB2 SER A 25 19.295 -4.506 -31.770 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.152 -5.152 -30.385 1.00 73.05 H new ATOM 0 HG SER A 25 20.110 -6.428 -32.954 1.00 65.11 H new ATOM 389 N GLU A 26 16.172 -6.110 -31.740 1.00 53.54 N ATOM 390 CA GLU A 26 15.086 -6.002 -32.707 1.00 53.15 C ATOM 391 C GLU A 26 14.072 -4.948 -32.271 1.00 73.25 C ATOM 392 O GLU A 26 13.949 -3.894 -32.894 1.00 53.42 O ATOM 393 CB GLU A 26 14.390 -7.353 -32.879 1.00 25.03 C ATOM 394 CG GLU A 26 13.400 -7.387 -34.031 1.00 61.21 C ATOM 395 CD GLU A 26 12.542 -8.637 -34.027 1.00 62.40 C ATOM 396 OE1 GLU A 26 12.277 -9.170 -32.930 1.00 31.44 O ATOM 397 OE2 GLU A 26 12.136 -9.082 -35.121 1.00 63.14 O1- ATOM 0 H GLU A 26 15.875 -6.071 -30.765 1.00 53.54 H new ATOM 0 HA GLU A 26 15.514 -5.697 -33.662 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.145 -8.123 -33.037 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.868 -7.603 -31.955 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.756 -6.509 -33.978 1.00 61.21 H new ATOM 0 HG3 GLU A 26 13.944 -7.327 -34.974 1.00 61.21 H new ATOM 404 N GLY A 27 13.347 -5.241 -31.195 1.00 44.43 N ATOM 405 CA GLY A 27 12.353 -4.311 -30.694 1.00 31.34 C ATOM 406 C GLY A 27 10.991 -4.952 -30.526 1.00 63.32 C ATOM 407 O GLY A 27 9.970 -4.359 -30.869 1.00 61.55 O ATOM 0 H GLY A 27 13.431 -6.106 -30.662 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.684 -3.912 -29.735 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.272 -3.467 -31.379 1.00 31.34 H new ATOM 411 N GLY A 28 10.974 -6.173 -29.996 1.00 21.34 N ATOM 412 CA GLY A 28 9.721 -6.876 -29.794 1.00 62.33 C ATOM 413 C GLY A 28 9.072 -6.536 -28.466 1.00 50.05 C ATOM 414 O GLY A 28 9.341 -5.483 -27.887 1.00 23.31 O ATOM 0 H GLY A 28 11.805 -6.686 -29.704 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.035 -6.629 -30.604 1.00 62.33 H new ATOM 0 HA3 GLY A 28 9.899 -7.950 -29.843 1.00 62.33 H new ATOM 418 N LYS A 29 8.214 -7.428 -27.984 1.00 15.42 N ATOM 419 CA LYS A 29 7.524 -7.218 -26.716 1.00 45.44 C ATOM 420 C LYS A 29 8.166 -8.042 -25.605 1.00 12.10 C ATOM 421 O LYS A 29 8.217 -7.611 -24.453 1.00 63.53 O ATOM 422 CB LYS A 29 6.045 -7.586 -26.851 1.00 41.32 C ATOM 423 CG LYS A 29 5.290 -6.720 -27.843 1.00 72.44 C ATOM 424 CD LYS A 29 4.736 -5.470 -27.182 1.00 52.45 C ATOM 425 CE LYS A 29 3.811 -4.706 -28.119 1.00 71.52 C ATOM 426 NZ LYS A 29 4.571 -3.868 -29.087 1.00 53.32 N1+ ATOM 0 H LYS A 29 7.979 -8.304 -28.452 1.00 15.42 H new ATOM 0 HA LYS A 29 7.607 -6.163 -26.455 1.00 45.44 H new ATOM 0 HB2 LYS A 29 5.966 -8.629 -27.158 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.568 -7.504 -25.874 1.00 41.32 H new ATOM 0 HG2 LYS A 29 5.954 -6.437 -28.660 1.00 72.44 H new ATOM 0 HG3 LYS A 29 4.473 -7.294 -28.281 1.00 72.44 H new ATOM 0 HD2 LYS A 29 4.193 -5.746 -26.278 1.00 52.45 H new ATOM 0 HD3 LYS A 29 5.559 -4.824 -26.875 1.00 52.45 H new ATOM 0 HE2 LYS A 29 3.183 -5.411 -28.664 1.00 71.52 H new ATOM 0 HE3 LYS A 29 3.145 -4.072 -27.534 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 3.905 -3.364 -29.707 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 5.151 -3.178 -28.568 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 5.188 -4.476 -29.663 1.00 53.32 H new ATOM 440 N GLU A 30 8.654 -9.226 -25.958 1.00 44.21 N ATOM 441 CA GLU A 30 9.293 -10.109 -24.988 1.00 11.54 C ATOM 442 C GLU A 30 10.226 -11.095 -25.683 1.00 2.32 C ATOM 443 O GLU A 30 9.844 -11.755 -26.650 1.00 51.51 O ATOM 444 CB GLU A 30 8.235 -10.869 -24.185 1.00 14.34 C ATOM 445 CG GLU A 30 7.313 -11.719 -25.042 1.00 21.41 C ATOM 446 CD GLU A 30 5.998 -12.030 -24.354 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.171 -11.104 -24.210 1.00 2.20 O ATOM 448 OE2 GLU A 30 5.796 -13.197 -23.960 1.00 74.24 O1- ATOM 0 H GLU A 30 8.620 -9.597 -26.908 1.00 44.21 H new ATOM 0 HA GLU A 30 9.884 -9.495 -24.308 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.734 -11.510 -23.458 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.636 -10.154 -23.621 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.114 -11.200 -25.980 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.816 -12.652 -25.295 1.00 21.41 H new ATOM 455 N VAL A 31 11.455 -11.191 -25.183 1.00 1.21 N ATOM 456 CA VAL A 31 12.444 -12.096 -25.755 1.00 20.01 C ATOM 457 C VAL A 31 12.802 -13.208 -24.775 1.00 24.24 C ATOM 458 O VAL A 31 12.985 -12.964 -23.583 1.00 60.13 O ATOM 459 CB VAL A 31 13.729 -11.345 -26.154 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.705 -12.285 -26.845 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.397 -10.157 -27.044 1.00 53.33 C ATOM 0 H VAL A 31 11.788 -10.653 -24.383 1.00 1.21 H new ATOM 0 HA VAL A 31 11.995 -12.532 -26.648 1.00 20.01 H new ATOM 0 HB VAL A 31 14.205 -10.969 -25.249 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.606 -11.737 -27.119 1.00 21.21 H new ATOM 0 HG12 VAL A 31 14.967 -13.099 -26.169 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.242 -12.694 -27.743 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.316 -9.638 -27.316 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.897 -10.507 -27.947 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.740 -9.473 -26.507 1.00 53.33 H new ATOM 471 N PHE A 32 12.901 -14.431 -25.287 1.00 63.42 N ATOM 472 CA PHE A 32 13.235 -15.582 -24.457 1.00 64.12 C ATOM 473 C PHE A 32 14.215 -16.504 -25.177 1.00 21.54 C ATOM 474 O PHE A 32 14.176 -16.635 -26.400 1.00 42.43 O ATOM 475 CB PHE A 32 11.969 -16.355 -24.085 1.00 75.51 C ATOM 476 CG PHE A 32 11.069 -15.612 -23.141 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.294 -15.648 -21.774 1.00 62.05 C ATOM 478 CD2 PHE A 32 9.996 -14.877 -23.620 1.00 72.34 C ATOM 479 CE1 PHE A 32 10.466 -14.965 -20.903 1.00 3.23 C ATOM 480 CE2 PHE A 32 9.164 -14.191 -22.753 1.00 32.23 C ATOM 481 CZ PHE A 32 9.401 -14.235 -21.394 1.00 24.12 C ATOM 0 H PHE A 32 12.755 -14.650 -26.272 1.00 63.42 H new ATOM 0 HA PHE A 32 13.709 -15.216 -23.546 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.415 -16.588 -24.994 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.253 -17.305 -23.632 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.126 -16.216 -21.385 1.00 62.05 H new ATOM 0 HD2 PHE A 32 9.807 -14.839 -24.683 1.00 72.34 H new ATOM 0 HE1 PHE A 32 10.652 -15.002 -19.840 1.00 3.23 H new ATOM 0 HE2 PHE A 32 8.331 -13.622 -23.139 1.00 32.23 H new ATOM 0 HZ PHE A 32 8.754 -13.699 -20.715 1.00 24.12 H new ATOM 491 N ILE A 33 15.093 -17.140 -24.408 1.00 13.35 N ATOM 492 CA ILE A 33 16.083 -18.050 -24.972 1.00 22.33 C ATOM 493 C ILE A 33 15.917 -19.459 -24.410 1.00 62.43 C ATOM 494 O ILE A 33 15.604 -19.636 -23.233 1.00 63.03 O ATOM 495 CB ILE A 33 17.518 -17.565 -24.693 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.531 -18.461 -25.408 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.787 -17.539 -23.196 1.00 22.30 C ATOM 498 CD1 ILE A 33 19.969 -18.124 -25.085 1.00 22.31 C ATOM 0 H ILE A 33 15.139 -17.042 -23.394 1.00 13.35 H new ATOM 0 HA ILE A 33 15.917 -18.068 -26.049 1.00 22.33 H new ATOM 0 HB ILE A 33 17.624 -16.551 -25.078 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.340 -19.499 -25.137 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.380 -18.379 -26.484 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.805 -17.194 -23.015 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.083 -16.862 -22.712 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.666 -18.542 -22.787 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.631 -18.799 -25.627 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.177 -17.096 -25.381 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.137 -18.234 -24.014 1.00 22.31 H new ATOM 510 N SER A 34 16.129 -20.457 -25.261 1.00 25.03 N ATOM 511 CA SER A 34 16.002 -21.851 -24.851 1.00 60.30 C ATOM 512 C SER A 34 16.971 -22.737 -25.628 1.00 10.42 C ATOM 513 O SER A 34 17.161 -22.562 -26.831 1.00 43.22 O ATOM 514 CB SER A 34 14.567 -22.337 -25.062 1.00 31.12 C ATOM 515 OG SER A 34 13.658 -21.605 -24.259 1.00 65.53 O ATOM 0 H SER A 34 16.389 -20.327 -26.239 1.00 25.03 H new ATOM 0 HA SER A 34 16.248 -21.916 -23.791 1.00 60.30 H new ATOM 0 HB2 SER A 34 14.295 -22.233 -26.112 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.499 -23.397 -24.819 1.00 31.12 H new ATOM 0 HG SER A 34 13.457 -22.114 -23.446 1.00 65.53 H new ATOM 521 N GLY A 35 17.583 -23.689 -24.931 1.00 50.42 N ATOM 522 CA GLY A 35 18.525 -24.589 -25.570 1.00 51.10 C ATOM 523 C GLY A 35 18.544 -25.961 -24.927 1.00 32.54 C ATOM 524 O GLY A 35 17.676 -26.287 -24.118 1.00 42.30 O ATOM 0 H GLY A 35 17.443 -23.853 -23.934 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.269 -24.689 -26.625 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.524 -24.156 -25.525 1.00 51.10 H new ATOM 528 N SER A 36 19.538 -26.768 -25.287 1.00 50.42 N ATOM 529 CA SER A 36 19.664 -28.114 -24.743 1.00 60.21 C ATOM 530 C SER A 36 20.117 -28.072 -23.286 1.00 34.32 C ATOM 531 O SER A 36 19.968 -29.047 -22.549 1.00 45.21 O ATOM 532 CB SER A 36 20.654 -28.932 -25.574 1.00 64.21 C ATOM 533 OG SER A 36 21.297 -29.914 -24.780 1.00 43.11 O ATOM 0 H SER A 36 20.267 -26.512 -25.953 1.00 50.42 H new ATOM 0 HA SER A 36 18.684 -28.590 -24.786 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.130 -29.413 -26.400 1.00 64.21 H new ATOM 0 HB3 SER A 36 21.400 -28.269 -26.013 1.00 64.21 H new ATOM 0 HG SER A 36 21.923 -30.424 -25.335 1.00 43.11 H new ATOM 539 N PHE A 37 20.671 -26.935 -22.879 1.00 5.12 N ATOM 540 CA PHE A 37 21.148 -26.765 -21.511 1.00 1.32 C ATOM 541 C PHE A 37 20.001 -26.904 -20.514 1.00 52.10 C ATOM 542 O PHE A 37 20.223 -27.120 -19.325 1.00 24.42 O ATOM 543 CB PHE A 37 21.818 -25.398 -21.350 1.00 52.43 C ATOM 544 CG PHE A 37 20.955 -24.252 -21.793 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.006 -23.712 -20.942 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.095 -23.714 -23.063 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.211 -22.657 -21.347 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.304 -22.659 -23.474 1.00 24.25 C ATOM 549 CZ PHE A 37 19.359 -22.129 -22.615 1.00 63.21 C ATOM 0 H PHE A 37 20.801 -26.118 -23.476 1.00 5.12 H new ATOM 0 HA PHE A 37 21.879 -27.547 -21.306 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.088 -25.256 -20.304 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.745 -25.387 -21.923 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.886 -24.120 -19.949 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.831 -24.124 -23.739 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.474 -22.245 -20.673 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.424 -22.248 -24.466 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.738 -21.305 -22.934 1.00 63.21 H new ATOM 559 N ASN A 38 18.775 -26.775 -21.011 1.00 73.11 N ATOM 560 CA ASN A 38 17.592 -26.885 -20.164 1.00 10.42 C ATOM 561 C ASN A 38 16.610 -27.905 -20.731 1.00 21.43 C ATOM 562 O ASN A 38 15.459 -27.978 -20.304 1.00 31.21 O ATOM 563 CB ASN A 38 16.909 -25.523 -20.030 1.00 72.03 C ATOM 564 CG ASN A 38 15.969 -25.231 -21.183 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.801 -25.619 -21.161 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.476 -24.543 -22.199 1.00 44.21 N ATOM 0 H ASN A 38 18.575 -26.594 -21.995 1.00 73.11 H new ATOM 0 HA ASN A 38 17.911 -27.224 -19.178 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.352 -25.490 -19.094 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.668 -24.743 -19.977 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.891 -24.316 -23.004 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.450 -24.241 -22.175 1.00 44.21 H new ATOM 573 N ASN A 39 17.075 -28.693 -21.696 1.00 32.24 N ATOM 574 CA ASN A 39 16.238 -29.710 -22.322 1.00 20.50 C ATOM 575 C ASN A 39 15.066 -29.071 -23.062 1.00 23.03 C ATOM 576 O ASN A 39 14.061 -29.726 -23.336 1.00 14.24 O ATOM 577 CB ASN A 39 15.717 -30.691 -21.269 1.00 75.11 C ATOM 578 CG ASN A 39 15.432 -32.063 -21.847 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.143 -32.200 -23.036 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.513 -33.088 -21.006 1.00 64.12 N ATOM 0 H ASN A 39 18.026 -28.646 -22.061 1.00 32.24 H new ATOM 0 HA ASN A 39 16.848 -30.253 -23.044 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.450 -30.783 -20.468 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.806 -30.291 -20.823 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.332 -34.035 -21.338 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.756 -32.928 -20.028 1.00 64.12 H new ATOM 587 N TRP A 40 15.204 -27.789 -23.381 1.00 1.42 N ATOM 588 CA TRP A 40 14.158 -27.061 -24.090 1.00 70.44 C ATOM 589 C TRP A 40 12.813 -27.224 -23.391 1.00 14.41 C ATOM 590 O TRP A 40 11.765 -27.251 -24.037 1.00 75.11 O ATOM 591 CB TRP A 40 14.057 -27.550 -25.535 1.00 13.40 C ATOM 592 CG TRP A 40 15.376 -27.576 -26.246 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.372 -28.498 -26.092 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.843 -26.638 -27.222 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.430 -28.189 -26.913 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.130 -27.054 -27.617 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.299 -25.490 -27.802 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.879 -26.359 -28.564 1.00 62.33 C ATOM 599 CZ3 TRP A 40 16.043 -24.801 -28.741 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.321 -25.238 -29.115 1.00 62.54 C ATOM 0 H TRP A 40 16.030 -27.232 -23.160 1.00 1.42 H new ATOM 0 HA TRP A 40 14.422 -26.003 -24.089 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.628 -28.552 -25.543 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.370 -26.905 -26.082 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.334 -29.345 -25.423 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.298 -28.719 -26.986 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.314 -25.147 -27.522 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.865 -26.693 -28.853 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.633 -23.911 -29.194 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.877 -24.679 -29.853 1.00 62.54 H new ATOM 611 N SER A 41 12.848 -27.333 -22.067 1.00 25.55 N ATOM 612 CA SER A 41 11.631 -27.497 -21.280 1.00 24.31 C ATOM 613 C SER A 41 11.331 -26.237 -20.474 1.00 73.12 C ATOM 614 O SER A 41 10.523 -26.257 -19.545 1.00 72.53 O ATOM 615 CB SER A 41 11.763 -28.698 -20.342 1.00 23.43 C ATOM 616 OG SER A 41 11.558 -29.914 -21.038 1.00 55.35 O ATOM 0 H SER A 41 13.706 -27.311 -21.516 1.00 25.55 H new ATOM 0 HA SER A 41 10.804 -27.672 -21.968 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.753 -28.699 -19.885 1.00 23.43 H new ATOM 0 HB3 SER A 41 11.038 -28.612 -19.532 1.00 23.43 H new ATOM 0 HG SER A 41 11.649 -30.666 -20.416 1.00 55.35 H new ATOM 622 N THR A 42 11.990 -25.141 -20.834 1.00 74.23 N ATOM 623 CA THR A 42 11.797 -23.871 -20.145 1.00 14.13 C ATOM 624 C THR A 42 12.390 -22.715 -20.943 1.00 20.24 C ATOM 625 O THR A 42 13.379 -22.884 -21.659 1.00 53.41 O ATOM 626 CB THR A 42 12.434 -23.891 -18.742 1.00 54.43 C ATOM 627 OG1 THR A 42 12.193 -22.645 -18.078 1.00 52.32 O ATOM 628 CG2 THR A 42 13.930 -24.144 -18.830 1.00 23.45 C ATOM 0 H THR A 42 12.663 -25.107 -21.600 1.00 74.23 H new ATOM 0 HA THR A 42 10.721 -23.726 -20.047 1.00 14.13 H new ATOM 0 HB THR A 42 11.979 -24.701 -18.172 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.599 -22.666 -17.186 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.357 -24.154 -17.827 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.109 -25.106 -19.310 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.399 -23.354 -19.416 1.00 23.45 H new ATOM 636 N LYS A 43 11.782 -21.541 -20.816 1.00 1.11 N ATOM 637 CA LYS A 43 12.251 -20.355 -21.524 1.00 64.11 C ATOM 638 C LYS A 43 12.968 -19.402 -20.574 1.00 3.12 C ATOM 639 O LYS A 43 12.381 -18.921 -19.603 1.00 72.24 O ATOM 640 CB LYS A 43 11.077 -19.639 -22.194 1.00 65.14 C ATOM 641 CG LYS A 43 10.613 -20.303 -23.480 1.00 42.20 C ATOM 642 CD LYS A 43 10.253 -19.274 -24.539 1.00 2.13 C ATOM 643 CE LYS A 43 9.173 -19.793 -25.475 1.00 63.12 C ATOM 644 NZ LYS A 43 7.912 -19.012 -25.355 1.00 4.54 N1+ ATOM 0 H LYS A 43 10.963 -21.385 -20.229 1.00 1.11 H new ATOM 0 HA LYS A 43 12.958 -20.675 -22.290 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.242 -19.596 -21.495 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.365 -18.610 -22.410 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.400 -20.956 -23.858 1.00 42.20 H new ATOM 0 HG3 LYS A 43 9.748 -20.933 -23.274 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.909 -18.359 -24.057 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.142 -19.016 -25.115 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.532 -19.748 -26.503 1.00 63.12 H new ATOM 0 HE3 LYS A 43 8.973 -20.841 -25.253 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.101 -19.627 -25.568 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.822 -18.644 -24.386 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.930 -18.218 -26.027 1.00 4.54 H new ATOM 658 N ILE A 44 14.236 -19.131 -20.858 1.00 22.14 N ATOM 659 CA ILE A 44 15.031 -18.232 -20.030 1.00 54.22 C ATOM 660 C ILE A 44 14.793 -16.776 -20.415 1.00 22.01 C ATOM 661 O ILE A 44 14.820 -16.406 -21.590 1.00 31.33 O ATOM 662 CB ILE A 44 16.534 -18.543 -20.143 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.901 -19.728 -19.247 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.358 -17.319 -19.775 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.313 -21.042 -19.712 1.00 62.32 C ATOM 0 H ILE A 44 14.737 -19.521 -21.656 1.00 22.14 H new ATOM 0 HA ILE A 44 14.714 -18.389 -18.999 1.00 54.22 H new ATOM 0 HB ILE A 44 16.758 -18.810 -21.176 1.00 4.25 H new ATOM 0 HG12 ILE A 44 17.986 -19.819 -19.206 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.559 -19.525 -18.232 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.419 -17.555 -19.860 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.114 -16.499 -20.451 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.133 -17.024 -18.750 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.614 -21.837 -19.030 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.226 -20.969 -19.726 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.675 -21.268 -20.715 1.00 62.32 H new ATOM 677 N PRO A 45 14.559 -15.927 -19.404 1.00 72.14 N ATOM 678 CA PRO A 45 14.316 -14.497 -19.612 1.00 74.30 C ATOM 679 C PRO A 45 15.567 -13.757 -20.072 1.00 3.41 C ATOM 680 O PRO A 45 16.660 -13.982 -19.552 1.00 31.12 O ATOM 681 CB PRO A 45 13.883 -14.006 -18.227 1.00 2.44 C ATOM 682 CG PRO A 45 14.498 -14.970 -17.274 1.00 44.21 C ATOM 683 CD PRO A 45 14.514 -16.298 -17.980 1.00 20.33 C ATOM 0 HA PRO A 45 13.577 -14.319 -20.393 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.230 -12.990 -18.041 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.797 -13.994 -18.133 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.507 -14.660 -17.003 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.922 -15.026 -16.350 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.379 -16.895 -17.693 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.628 -16.888 -17.746 1.00 20.33 H new ATOM 691 N LEU A 46 15.399 -12.871 -21.048 1.00 64.14 N ATOM 692 CA LEU A 46 16.515 -12.097 -21.579 1.00 65.52 C ATOM 693 C LEU A 46 16.615 -10.741 -20.887 1.00 32.13 C ATOM 694 O LEU A 46 15.762 -9.873 -21.077 1.00 65.14 O ATOM 695 CB LEU A 46 16.356 -11.902 -23.088 1.00 61.33 C ATOM 696 CG LEU A 46 17.321 -12.692 -23.973 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.759 -14.071 -24.278 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.606 -11.934 -25.260 1.00 72.32 C ATOM 0 H LEU A 46 14.500 -12.671 -21.487 1.00 64.14 H new ATOM 0 HA LEU A 46 17.433 -12.652 -21.386 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.337 -12.174 -23.364 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.475 -10.842 -23.312 1.00 61.33 H new ATOM 0 HG LEU A 46 18.259 -12.816 -23.433 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.460 -14.618 -24.909 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.607 -14.616 -23.346 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.806 -13.969 -24.798 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.294 -12.511 -25.877 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.675 -11.778 -25.804 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.054 -10.969 -25.022 1.00 72.32 H new ATOM 710 N ILE A 47 17.661 -10.566 -20.088 1.00 14.12 N ATOM 711 CA ILE A 47 17.873 -9.314 -19.372 1.00 74.30 C ATOM 712 C ILE A 47 17.797 -8.120 -20.317 1.00 14.44 C ATOM 713 O ILE A 47 18.719 -7.869 -21.093 1.00 31.41 O ATOM 714 CB ILE A 47 19.234 -9.301 -18.652 1.00 0.44 C ATOM 715 CG1 ILE A 47 19.342 -10.487 -17.694 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.426 -7.989 -17.905 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.257 -10.512 -16.639 1.00 44.14 C ATOM 0 H ILE A 47 18.375 -11.275 -19.920 1.00 14.12 H new ATOM 0 HA ILE A 47 17.079 -9.236 -18.630 1.00 74.30 H new ATOM 0 HB ILE A 47 20.023 -9.390 -19.399 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.301 -11.413 -18.268 1.00 30.24 H new ATOM 0 HG13 ILE A 47 20.315 -10.460 -17.203 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.393 -7.995 -17.401 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.390 -7.160 -18.611 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.633 -7.871 -17.167 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.396 -11.380 -15.995 1.00 44.14 H new ATOM 0 HD12 ILE A 47 18.311 -9.603 -16.040 1.00 44.14 H new ATOM 0 HD13 ILE A 47 17.281 -10.571 -17.122 1.00 44.14 H new ATOM 729 N LYS A 48 16.693 -7.384 -20.244 1.00 15.21 N ATOM 730 CA LYS A 48 16.497 -6.213 -21.091 1.00 3.13 C ATOM 731 C LYS A 48 17.470 -5.100 -20.714 1.00 43.44 C ATOM 732 O LYS A 48 17.442 -4.591 -19.593 1.00 42.12 O ATOM 733 CB LYS A 48 15.057 -5.709 -20.973 1.00 15.03 C ATOM 734 CG LYS A 48 14.418 -5.373 -22.309 1.00 21.42 C ATOM 735 CD LYS A 48 12.902 -5.429 -22.232 1.00 24.00 C ATOM 736 CE LYS A 48 12.406 -6.853 -22.035 1.00 64.10 C ATOM 737 NZ LYS A 48 11.048 -7.053 -22.613 1.00 1.32 N1+ ATOM 0 H LYS A 48 15.920 -7.578 -19.607 1.00 15.21 H new ATOM 0 HA LYS A 48 16.690 -6.505 -22.123 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.455 -6.468 -20.473 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.042 -4.822 -20.340 1.00 15.03 H new ATOM 0 HG2 LYS A 48 14.731 -4.377 -22.623 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.771 -6.071 -23.068 1.00 21.42 H new ATOM 0 HD2 LYS A 48 12.555 -4.805 -21.409 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.475 -5.017 -23.146 1.00 24.00 H new ATOM 0 HE2 LYS A 48 13.105 -7.548 -22.500 1.00 64.10 H new ATOM 0 HE3 LYS A 48 12.385 -7.086 -20.970 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 10.746 -8.036 -22.458 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 10.376 -6.407 -22.152 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 11.073 -6.855 -23.634 1.00 1.32 H new ATOM 751 N SER A 49 18.327 -4.725 -21.658 1.00 43.44 N ATOM 752 CA SER A 49 19.309 -3.673 -21.423 1.00 72.14 C ATOM 753 C SER A 49 18.974 -2.425 -22.233 1.00 60.13 C ATOM 754 O SER A 49 18.273 -2.497 -23.244 1.00 5.42 O ATOM 755 CB SER A 49 20.712 -4.167 -21.784 1.00 41.12 C ATOM 756 OG SER A 49 21.704 -3.265 -21.324 1.00 21.32 O ATOM 0 H SER A 49 18.361 -5.134 -22.592 1.00 43.44 H new ATOM 0 HA SER A 49 19.282 -3.415 -20.364 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.879 -5.151 -21.345 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.794 -4.282 -22.865 1.00 41.12 H new ATOM 0 HG SER A 49 22.591 -3.604 -21.565 1.00 21.32 H new ATOM 762 N HIS A 50 19.480 -1.281 -21.784 1.00 41.43 N ATOM 763 CA HIS A 50 19.234 -0.016 -22.467 1.00 30.33 C ATOM 764 C HIS A 50 19.674 -0.093 -23.926 1.00 5.15 C ATOM 765 O HIS A 50 19.162 0.635 -24.777 1.00 32.14 O ATOM 766 CB HIS A 50 19.971 1.122 -21.760 1.00 41.03 C ATOM 767 CG HIS A 50 19.698 1.188 -20.288 1.00 40.43 C ATOM 768 ND1 HIS A 50 20.533 1.827 -19.395 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.674 0.693 -19.555 1.00 70.45 C ATOM 770 CE1 HIS A 50 20.036 1.720 -18.177 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.907 1.036 -18.246 1.00 34.54 N ATOM 0 H HIS A 50 20.063 -1.204 -20.950 1.00 41.43 H new ATOM 0 HA HIS A 50 18.163 0.182 -22.438 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.043 1.003 -21.918 1.00 41.03 H new ATOM 0 HB3 HIS A 50 19.685 2.069 -22.217 1.00 41.03 H new ATOM 0 HD2 HIS A 50 17.830 0.132 -19.930 1.00 70.45 H new ATOM 0 HE1 HIS A 50 20.477 2.123 -17.277 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.307 0.801 -17.456 1.00 34.54 H new ATOM 779 N ASN A 51 20.625 -0.977 -24.207 1.00 15.24 N ATOM 780 CA ASN A 51 21.135 -1.146 -25.563 1.00 64.25 C ATOM 781 C ASN A 51 20.293 -2.156 -26.337 1.00 63.54 C ATOM 782 O ASN A 51 19.764 -1.849 -27.406 1.00 35.54 O ATOM 783 CB ASN A 51 22.595 -1.602 -25.528 1.00 63.32 C ATOM 784 CG ASN A 51 23.562 -0.437 -25.440 1.00 44.03 C ATOM 785 OD1 ASN A 51 23.480 0.513 -26.219 1.00 43.11 O ATOM 786 ND2 ASN A 51 24.485 -0.505 -24.489 1.00 71.10 N ATOM 0 H ASN A 51 21.058 -1.588 -23.514 1.00 15.24 H new ATOM 0 HA ASN A 51 21.075 -0.183 -26.071 1.00 64.25 H new ATOM 0 HB2 ASN A 51 22.746 -2.262 -24.674 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.813 -2.185 -26.423 1.00 63.32 H new ATOM 0 HD21 ASN A 51 25.163 0.249 -24.382 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.516 -1.311 -23.865 1.00 71.10 H new ATOM 793 N ASP A 52 20.175 -3.362 -25.791 1.00 2.33 N ATOM 794 CA ASP A 52 19.396 -4.417 -26.429 1.00 51.51 C ATOM 795 C ASP A 52 19.146 -5.568 -25.460 1.00 40.41 C ATOM 796 O ASP A 52 19.425 -5.460 -24.266 1.00 50.31 O ATOM 797 CB ASP A 52 20.119 -4.930 -27.675 1.00 20.42 C ATOM 798 CG ASP A 52 21.401 -5.666 -27.340 1.00 4.32 C ATOM 799 OD1 ASP A 52 22.397 -4.995 -26.993 1.00 62.31 O ATOM 800 OD2 ASP A 52 21.409 -6.912 -27.422 1.00 62.02 O1- ATOM 0 H ASP A 52 20.609 -3.633 -24.908 1.00 2.33 H new ATOM 0 HA ASP A 52 18.434 -3.998 -26.723 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.456 -5.595 -28.228 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.347 -4.090 -28.331 1.00 20.42 H new ATOM 805 N PHE A 53 18.618 -6.670 -25.983 1.00 23.22 N ATOM 806 CA PHE A 53 18.328 -7.841 -25.164 1.00 74.32 C ATOM 807 C PHE A 53 19.550 -8.748 -25.058 1.00 74.52 C ATOM 808 O PHE A 53 20.376 -8.805 -25.971 1.00 63.11 O ATOM 809 CB PHE A 53 17.150 -8.622 -25.752 1.00 20.02 C ATOM 810 CG PHE A 53 15.933 -7.777 -25.996 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.822 -7.014 -27.148 1.00 41.23 C ATOM 812 CD2 PHE A 53 14.898 -7.746 -25.074 1.00 71.15 C ATOM 813 CE1 PHE A 53 14.704 -6.235 -27.373 1.00 25.13 C ATOM 814 CE2 PHE A 53 13.777 -6.969 -25.296 1.00 34.33 C ATOM 815 CZ PHE A 53 13.679 -6.213 -26.447 1.00 23.43 C ATOM 0 H PHE A 53 18.382 -6.776 -26.970 1.00 23.22 H new ATOM 0 HA PHE A 53 18.065 -7.497 -24.164 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.460 -9.078 -26.692 1.00 20.02 H new ATOM 0 HB3 PHE A 53 16.888 -9.434 -25.074 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.618 -7.029 -27.877 1.00 41.23 H new ATOM 0 HD2 PHE A 53 14.969 -8.336 -24.172 1.00 71.15 H new ATOM 0 HE1 PHE A 53 14.631 -5.643 -28.273 1.00 25.13 H new ATOM 0 HE2 PHE A 53 12.978 -6.953 -24.570 1.00 34.33 H new ATOM 0 HZ PHE A 53 12.803 -5.606 -26.623 1.00 23.43 H new ATOM 825 N VAL A 54 19.662 -9.453 -23.937 1.00 60.01 N ATOM 826 CA VAL A 54 20.783 -10.357 -23.711 1.00 21.43 C ATOM 827 C VAL A 54 20.391 -11.496 -22.776 1.00 43.31 C ATOM 828 O VAL A 54 19.410 -11.398 -22.039 1.00 73.14 O ATOM 829 CB VAL A 54 21.993 -9.613 -23.115 1.00 12.13 C ATOM 830 CG1 VAL A 54 22.640 -8.722 -24.165 1.00 42.10 C ATOM 831 CG2 VAL A 54 21.572 -8.801 -21.901 1.00 4.03 C ATOM 0 H VAL A 54 18.990 -9.415 -23.171 1.00 60.01 H new ATOM 0 HA VAL A 54 21.060 -10.767 -24.683 1.00 21.43 H new ATOM 0 HB VAL A 54 22.730 -10.349 -22.793 1.00 12.13 H new ATOM 0 HG11 VAL A 54 23.493 -8.204 -23.727 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.977 -9.333 -25.003 1.00 42.10 H new ATOM 0 HG13 VAL A 54 21.914 -7.990 -24.519 1.00 42.10 H new ATOM 0 HG21 VAL A 54 22.439 -8.282 -21.492 1.00 4.03 H new ATOM 0 HG22 VAL A 54 20.817 -8.072 -22.195 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.158 -9.467 -21.144 1.00 4.03 H new ATOM 841 N ALA A 55 21.164 -12.576 -22.812 1.00 4.51 N ATOM 842 CA ALA A 55 20.900 -13.734 -21.966 1.00 54.01 C ATOM 843 C ALA A 55 22.139 -14.127 -21.169 1.00 32.03 C ATOM 844 O ALA A 55 23.261 -14.050 -21.672 1.00 42.01 O ATOM 845 CB ALA A 55 20.417 -14.904 -22.809 1.00 40.42 C ATOM 0 H ALA A 55 21.979 -12.674 -23.418 1.00 4.51 H new ATOM 0 HA ALA A 55 20.117 -13.464 -21.257 1.00 54.01 H new ATOM 0 HB1 ALA A 55 20.224 -15.762 -22.165 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.499 -14.625 -23.327 1.00 40.42 H new ATOM 0 HB3 ALA A 55 21.181 -15.165 -23.541 1.00 40.42 H new ATOM 851 N ILE A 56 21.930 -14.546 -19.926 1.00 34.40 N ATOM 852 CA ILE A 56 23.031 -14.952 -19.062 1.00 21.40 C ATOM 853 C ILE A 56 22.676 -16.206 -18.270 1.00 72.24 C ATOM 854 O ILE A 56 21.745 -16.201 -17.464 1.00 72.43 O ATOM 855 CB ILE A 56 23.418 -13.830 -18.080 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.743 -12.543 -18.842 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.602 -14.259 -17.225 1.00 41.55 C ATOM 858 CD1 ILE A 56 24.950 -12.665 -19.746 1.00 74.44 C ATOM 0 H ILE A 56 21.008 -14.613 -19.495 1.00 34.40 H new ATOM 0 HA ILE A 56 23.880 -15.165 -19.712 1.00 21.40 H new ATOM 0 HB ILE A 56 22.571 -13.636 -17.422 1.00 50.33 H new ATOM 0 HG12 ILE A 56 22.878 -12.256 -19.441 1.00 71.52 H new ATOM 0 HG13 ILE A 56 23.915 -11.740 -18.126 1.00 71.52 H new ATOM 0 HG21 ILE A 56 24.864 -13.456 -16.536 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.337 -15.151 -16.658 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.455 -14.478 -17.868 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.121 -11.716 -20.254 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.826 -12.921 -19.150 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.773 -13.446 -20.486 1.00 74.44 H new ATOM 870 N LEU A 57 23.425 -17.277 -18.504 1.00 23.15 N ATOM 871 CA LEU A 57 23.191 -18.540 -17.811 1.00 22.42 C ATOM 872 C LEU A 57 24.476 -19.358 -17.721 1.00 52.54 C ATOM 873 O LEU A 57 25.190 -19.521 -18.711 1.00 60.35 O ATOM 874 CB LEU A 57 22.108 -19.346 -18.530 1.00 74.01 C ATOM 875 CG LEU A 57 21.984 -19.110 -20.035 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.458 -20.356 -20.730 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.078 -17.919 -20.316 1.00 20.50 C ATOM 0 H LEU A 57 24.199 -17.297 -19.168 1.00 23.15 H new ATOM 0 HA LEU A 57 22.855 -18.314 -16.799 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.301 -20.406 -18.363 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.148 -19.120 -18.067 1.00 74.01 H new ATOM 0 HG LEU A 57 22.975 -18.889 -20.431 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.377 -20.168 -21.801 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.144 -21.185 -20.558 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.476 -20.608 -20.330 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.002 -17.766 -21.392 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.087 -18.111 -19.905 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.496 -17.026 -19.851 1.00 20.50 H new ATOM 889 N ASP A 58 24.761 -19.872 -16.530 1.00 34.22 N ATOM 890 CA ASP A 58 25.958 -20.676 -16.312 1.00 0.11 C ATOM 891 C ASP A 58 25.813 -22.052 -16.956 1.00 63.43 C ATOM 892 O ASP A 58 25.062 -22.900 -16.471 1.00 41.24 O ATOM 893 CB ASP A 58 26.231 -20.827 -14.815 1.00 24.31 C ATOM 894 CG ASP A 58 26.855 -19.584 -14.212 1.00 42.33 C ATOM 895 OD1 ASP A 58 26.974 -18.571 -14.934 1.00 22.34 O1- ATOM 896 OD2 ASP A 58 27.224 -19.622 -13.020 1.00 2.41 O ATOM 0 H ASP A 58 24.180 -19.747 -15.701 1.00 34.22 H new ATOM 0 HA ASP A 58 26.800 -20.163 -16.777 1.00 0.11 H new ATOM 0 HB2 ASP A 58 25.297 -21.048 -14.299 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.893 -21.677 -14.653 1.00 24.31 H new ATOM 901 N LEU A 59 26.534 -22.266 -18.050 1.00 33.22 N ATOM 902 CA LEU A 59 26.485 -23.538 -18.763 1.00 60.20 C ATOM 903 C LEU A 59 27.816 -24.275 -18.653 1.00 1.03 C ATOM 904 O LEU A 59 28.878 -23.670 -18.501 1.00 70.11 O ATOM 905 CB LEU A 59 26.134 -23.309 -20.234 1.00 32.04 C ATOM 906 CG LEU A 59 24.971 -22.356 -20.506 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.012 -21.859 -21.943 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.642 -23.039 -20.214 1.00 1.32 C ATOM 0 H LEU A 59 27.160 -21.575 -18.463 1.00 33.22 H new ATOM 0 HA LEU A 59 25.711 -24.154 -18.304 1.00 60.20 H new ATOM 0 HB2 LEU A 59 27.019 -22.925 -20.742 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.900 -24.273 -20.685 1.00 32.04 H new ATOM 0 HG LEU A 59 25.069 -21.496 -19.843 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.176 -21.182 -22.118 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.949 -21.331 -22.119 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.940 -22.707 -22.624 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.825 -22.346 -20.413 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.536 -23.917 -20.851 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.612 -23.344 -19.168 1.00 1.32 H new ATOM 920 N PRO A 60 27.761 -25.613 -18.736 1.00 53.42 N ATOM 921 CA PRO A 60 28.954 -26.461 -18.652 1.00 72.32 C ATOM 922 C PRO A 60 29.850 -26.324 -19.879 1.00 43.23 C ATOM 923 O PRO A 60 29.377 -26.019 -20.972 1.00 43.11 O ATOM 924 CB PRO A 60 28.378 -27.876 -18.566 1.00 45.22 C ATOM 925 CG PRO A 60 27.042 -27.782 -19.220 1.00 34.34 C ATOM 926 CD PRO A 60 26.531 -26.400 -18.918 1.00 31.23 C ATOM 0 HA PRO A 60 29.587 -26.192 -17.806 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.018 -28.596 -19.076 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.290 -28.205 -17.531 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.121 -27.943 -20.295 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.364 -28.542 -18.833 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.922 -26.010 -19.733 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.910 -26.388 -18.022 1.00 31.23 H new ATOM 934 N GLU A 61 31.146 -26.551 -19.687 1.00 34.34 N ATOM 935 CA GLU A 61 32.107 -26.453 -20.779 1.00 51.40 C ATOM 936 C GLU A 61 31.768 -27.439 -21.894 1.00 71.00 C ATOM 937 O GLU A 61 31.633 -28.638 -21.656 1.00 52.22 O ATOM 938 CB GLU A 61 33.524 -26.714 -20.266 1.00 14.52 C ATOM 939 CG GLU A 61 34.557 -26.851 -21.372 1.00 12.24 C ATOM 940 CD GLU A 61 34.683 -28.275 -21.878 1.00 4.13 C ATOM 941 OE1 GLU A 61 34.517 -29.210 -21.067 1.00 62.21 O ATOM 942 OE2 GLU A 61 34.949 -28.454 -23.085 1.00 14.15 O1- ATOM 0 H GLU A 61 31.554 -26.804 -18.787 1.00 34.34 H new ATOM 0 HA GLU A 61 32.055 -25.442 -21.184 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.818 -25.899 -19.605 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.522 -27.625 -19.667 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.285 -26.197 -22.201 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.526 -26.513 -21.004 1.00 12.24 H new ATOM 949 N GLY A 62 31.631 -26.922 -23.111 1.00 75.14 N ATOM 950 CA GLY A 62 31.308 -27.770 -24.244 1.00 3.44 C ATOM 951 C GLY A 62 30.597 -27.014 -25.349 1.00 3.40 C ATOM 952 O GLY A 62 30.925 -25.862 -25.633 1.00 30.13 O ATOM 0 H GLY A 62 31.738 -25.932 -23.333 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.225 -28.208 -24.639 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.679 -28.595 -23.909 1.00 3.44 H new ATOM 956 N GLU A 63 29.621 -27.665 -25.975 1.00 44.04 N ATOM 957 CA GLU A 63 28.864 -27.046 -27.057 1.00 31.31 C ATOM 958 C GLU A 63 27.368 -27.293 -26.885 1.00 34.40 C ATOM 959 O GLU A 63 26.970 -28.429 -26.630 1.00 55.14 O ATOM 960 CB GLU A 63 29.329 -27.590 -28.410 1.00 71.45 C ATOM 961 CG GLU A 63 28.491 -27.105 -29.581 1.00 41.01 C ATOM 962 CD GLU A 63 28.898 -27.746 -30.894 1.00 64.35 C ATOM 963 OE1 GLU A 63 30.110 -27.774 -31.189 1.00 13.32 O ATOM 964 OE2 GLU A 63 28.003 -28.219 -31.626 1.00 63.41 O1- ATOM 0 H GLU A 63 29.337 -28.619 -25.752 1.00 44.04 H new ATOM 0 HA GLU A 63 29.044 -25.971 -27.024 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.367 -27.299 -28.572 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.304 -28.679 -28.382 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.441 -27.321 -29.386 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.583 -26.022 -29.665 1.00 41.01 H new ATOM 971 N HIS A 64 26.581 -26.236 -27.026 1.00 11.42 N ATOM 972 CA HIS A 64 25.141 -26.351 -26.883 1.00 43.11 C ATOM 973 C HIS A 64 24.450 -25.556 -27.992 1.00 20.11 C ATOM 974 O HIS A 64 25.061 -24.751 -28.694 1.00 22.41 O ATOM 975 CB HIS A 64 24.698 -25.924 -25.482 1.00 0.52 C ATOM 976 CG HIS A 64 25.827 -25.827 -24.484 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.776 -24.864 -24.303 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.069 -26.800 -23.530 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.555 -25.229 -23.292 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.119 -26.428 -22.812 1.00 33.03 N flip ATOM 0 H HIS A 64 26.915 -25.296 -27.238 1.00 11.42 H new ATOM 0 HA HIS A 64 24.843 -27.394 -26.992 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.201 -24.956 -25.548 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.960 -26.636 -25.112 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.499 -27.707 -23.394 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.396 -24.668 -22.912 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.529 -26.948 -22.036 1.00 33.03 H new ATOM 988 N GLN A 65 23.150 -25.801 -28.133 1.00 1.42 N ATOM 989 CA GLN A 65 22.351 -25.123 -29.147 1.00 75.43 C ATOM 990 C GLN A 65 21.150 -24.425 -28.517 1.00 40.13 C ATOM 991 O GLN A 65 20.360 -25.049 -27.809 1.00 52.02 O ATOM 992 CB GLN A 65 21.879 -26.120 -30.207 1.00 73.02 C ATOM 993 CG GLN A 65 22.788 -26.190 -31.423 1.00 71.31 C ATOM 994 CD GLN A 65 22.854 -27.580 -32.024 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.309 -27.832 -33.099 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.524 -28.494 -31.329 1.00 53.03 N ATOM 0 H GLN A 65 22.629 -26.463 -27.558 1.00 1.42 H new ATOM 0 HA GLN A 65 22.978 -24.369 -29.623 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.810 -27.111 -29.757 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.875 -25.846 -30.530 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.433 -25.489 -32.178 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.792 -25.873 -31.140 1.00 71.31 H new ATOM 0 HE21 GLN A 65 23.960 -28.242 -30.442 1.00 53.03 H new ATOM 0 HE22 GLN A 65 23.602 -29.448 -31.682 1.00 53.03 H new ATOM 1005 N TYR A 66 21.020 -23.131 -28.779 1.00 4.15 N ATOM 1006 CA TYR A 66 19.917 -22.347 -28.235 1.00 72.34 C ATOM 1007 C TYR A 66 19.068 -21.751 -29.353 1.00 74.34 C ATOM 1008 O TYR A 66 19.387 -21.893 -30.534 1.00 1.32 O ATOM 1009 CB TYR A 66 20.449 -21.232 -27.333 1.00 10.24 C ATOM 1010 CG TYR A 66 21.294 -20.213 -28.066 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.626 -20.472 -28.364 1.00 40.20 C ATOM 1012 CD2 TYR A 66 20.758 -18.993 -28.460 1.00 2.13 C ATOM 1013 CE1 TYR A 66 23.400 -19.544 -29.032 1.00 2.40 C ATOM 1014 CE2 TYR A 66 21.525 -18.060 -29.129 1.00 71.43 C ATOM 1015 CZ TYR A 66 22.846 -18.339 -29.413 1.00 22.23 C ATOM 1016 OH TYR A 66 23.613 -17.413 -30.080 1.00 12.33 O ATOM 0 H TYR A 66 21.665 -22.601 -29.365 1.00 4.15 H new ATOM 0 HA TYR A 66 19.290 -23.014 -27.643 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.607 -20.723 -26.863 1.00 10.24 H new ATOM 0 HB3 TYR A 66 21.041 -21.675 -26.532 1.00 10.24 H new ATOM 0 HD1 TYR A 66 23.063 -21.414 -28.068 1.00 40.20 H new ATOM 0 HD2 TYR A 66 19.724 -18.771 -28.239 1.00 2.13 H new ATOM 0 HE1 TYR A 66 24.434 -19.760 -29.255 1.00 2.40 H new ATOM 0 HE2 TYR A 66 21.093 -17.117 -29.428 1.00 71.43 H new ATOM 0 HH TYR A 66 23.071 -16.620 -30.276 1.00 12.33 H new ATOM 1026 N LYS A 67 17.986 -21.081 -28.973 1.00 53.20 N ATOM 1027 CA LYS A 67 17.090 -20.459 -29.941 1.00 62.12 C ATOM 1028 C LYS A 67 16.408 -19.232 -29.343 1.00 21.43 C ATOM 1029 O LYS A 67 16.085 -19.207 -28.155 1.00 63.05 O ATOM 1030 CB LYS A 67 16.035 -21.464 -30.409 1.00 52.15 C ATOM 1031 CG LYS A 67 15.185 -20.960 -31.562 1.00 4.31 C ATOM 1032 CD LYS A 67 15.924 -21.058 -32.886 1.00 75.43 C ATOM 1033 CE LYS A 67 15.099 -20.486 -34.028 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.994 -21.402 -34.427 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.708 -20.954 -28.000 1.00 53.20 H new ATOM 0 HA LYS A 67 17.686 -20.141 -30.797 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.532 -22.386 -30.711 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.385 -21.712 -29.570 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.263 -21.539 -31.615 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.900 -19.924 -31.379 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.871 -20.523 -32.816 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.162 -22.101 -33.095 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.683 -19.524 -33.729 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.745 -20.301 -34.886 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.269 -20.866 -34.945 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.371 -22.155 -35.038 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.570 -21.825 -33.577 1.00 33.33 H new ATOM 1048 N PHE A 68 16.192 -18.218 -30.173 1.00 0.13 N ATOM 1049 CA PHE A 68 15.549 -16.988 -29.727 1.00 34.41 C ATOM 1050 C PHE A 68 14.041 -17.049 -29.955 1.00 74.51 C ATOM 1051 O PHE A 68 13.572 -17.643 -30.926 1.00 43.04 O ATOM 1052 CB PHE A 68 16.138 -15.782 -30.460 1.00 21.54 C ATOM 1053 CG PHE A 68 17.500 -15.386 -29.965 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.759 -15.299 -28.607 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.520 -15.101 -30.858 1.00 24.44 C ATOM 1056 CE1 PHE A 68 19.012 -14.935 -28.148 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.774 -14.737 -30.405 1.00 64.40 C ATOM 1058 CZ PHE A 68 20.020 -14.652 -29.048 1.00 60.24 C ATOM 0 H PHE A 68 16.453 -18.224 -31.159 1.00 0.13 H new ATOM 0 HA PHE A 68 15.734 -16.879 -28.658 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.199 -16.008 -31.525 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.461 -14.935 -30.352 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.974 -15.518 -27.899 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.333 -15.164 -31.920 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.202 -14.872 -27.087 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.561 -14.519 -31.111 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.998 -14.365 -28.692 1.00 60.24 H new ATOM 1068 N PHE A 69 13.287 -16.431 -29.052 1.00 64.40 N ATOM 1069 CA PHE A 69 11.831 -16.417 -29.152 1.00 63.41 C ATOM 1070 C PHE A 69 11.291 -14.997 -29.012 1.00 34.32 C ATOM 1071 O PHE A 69 11.089 -14.504 -27.902 1.00 62.44 O ATOM 1072 CB PHE A 69 11.216 -17.317 -28.080 1.00 5.13 C ATOM 1073 CG PHE A 69 9.719 -17.415 -28.166 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.119 -18.290 -29.058 1.00 14.24 C ATOM 1075 CD2 PHE A 69 8.913 -16.631 -27.358 1.00 42.11 C ATOM 1076 CE1 PHE A 69 7.743 -18.382 -29.139 1.00 13.20 C ATOM 1077 CE2 PHE A 69 7.536 -16.720 -27.434 1.00 52.12 C ATOM 1078 CZ PHE A 69 6.950 -17.595 -28.328 1.00 3.22 C ATOM 0 H PHE A 69 13.659 -15.933 -28.243 1.00 64.40 H new ATOM 0 HA PHE A 69 11.555 -16.797 -30.136 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.643 -18.316 -28.167 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.491 -16.937 -27.096 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.734 -18.907 -29.697 1.00 14.24 H new ATOM 0 HD2 PHE A 69 9.366 -15.942 -26.660 1.00 42.11 H new ATOM 0 HE1 PHE A 69 7.288 -19.069 -29.837 1.00 13.20 H new ATOM 0 HE2 PHE A 69 6.919 -16.106 -26.795 1.00 52.12 H new ATOM 0 HZ PHE A 69 5.874 -17.663 -28.392 1.00 3.22 H new ATOM 1088 N VAL A 70 11.061 -14.342 -30.145 1.00 51.23 N ATOM 1089 CA VAL A 70 10.544 -12.979 -30.150 1.00 53.12 C ATOM 1090 C VAL A 70 9.254 -12.883 -30.957 1.00 13.23 C ATOM 1091 O VAL A 70 9.044 -13.642 -31.904 1.00 23.10 O ATOM 1092 CB VAL A 70 11.574 -11.990 -30.730 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.106 -10.556 -30.531 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.937 -12.208 -30.092 1.00 41.35 C ATOM 0 H VAL A 70 11.225 -14.734 -31.072 1.00 51.23 H new ATOM 0 HA VAL A 70 10.341 -12.714 -29.112 1.00 53.12 H new ATOM 0 HB VAL A 70 11.666 -12.172 -31.801 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.845 -9.871 -30.946 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.152 -10.411 -31.038 1.00 23.12 H new ATOM 0 HG13 VAL A 70 10.985 -10.357 -29.466 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.653 -11.502 -30.513 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.864 -12.053 -29.016 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.273 -13.226 -30.290 1.00 41.35 H new ATOM 1104 N ASP A 71 8.393 -11.946 -30.576 1.00 3.15 N ATOM 1105 CA ASP A 71 7.123 -11.749 -31.265 1.00 54.03 C ATOM 1106 C ASP A 71 6.252 -12.997 -31.166 1.00 20.14 C ATOM 1107 O ASP A 71 5.449 -13.278 -32.054 1.00 62.44 O ATOM 1108 CB ASP A 71 7.364 -11.396 -32.734 1.00 64.34 C ATOM 1109 CG ASP A 71 8.451 -10.354 -32.908 1.00 14.24 C ATOM 1110 OD1 ASP A 71 8.334 -9.269 -32.300 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 9.417 -10.621 -33.652 1.00 63.53 O ATOM 0 H ASP A 71 8.551 -11.311 -29.794 1.00 3.15 H new ATOM 0 HA ASP A 71 6.600 -10.923 -30.782 1.00 54.03 H new ATOM 0 HB2 ASP A 71 7.638 -12.298 -33.281 1.00 64.34 H new ATOM 0 HB3 ASP A 71 6.437 -11.027 -33.173 1.00 64.34 H new ATOM 1116 N GLY A 72 6.417 -13.743 -30.077 1.00 2.30 N ATOM 1117 CA GLY A 72 5.639 -14.952 -29.882 1.00 30.24 C ATOM 1118 C GLY A 72 5.995 -16.037 -30.879 1.00 72.25 C ATOM 1119 O GLY A 72 5.154 -16.864 -31.234 1.00 21.11 O ATOM 0 H GLY A 72 7.075 -13.531 -29.327 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.800 -15.325 -28.871 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.578 -14.716 -29.969 1.00 30.24 H new ATOM 1123 N GLN A 73 7.244 -16.035 -31.334 1.00 45.23 N ATOM 1124 CA GLN A 73 7.708 -17.025 -32.299 1.00 20.11 C ATOM 1125 C GLN A 73 9.212 -17.245 -32.174 1.00 25.04 C ATOM 1126 O GLN A 73 9.938 -16.374 -31.694 1.00 32.35 O ATOM 1127 CB GLN A 73 7.362 -16.583 -33.722 1.00 33.33 C ATOM 1128 CG GLN A 73 8.089 -15.322 -34.160 1.00 51.12 C ATOM 1129 CD GLN A 73 7.948 -15.054 -35.646 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.805 -15.980 -36.445 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.988 -13.782 -36.024 1.00 32.52 N ATOM 0 H GLN A 73 7.953 -15.359 -31.050 1.00 45.23 H new ATOM 0 HA GLN A 73 7.203 -17.967 -32.086 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.603 -17.390 -34.413 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.287 -16.415 -33.790 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.700 -14.470 -33.602 1.00 51.12 H new ATOM 0 HG3 GLN A 73 9.146 -15.411 -33.909 1.00 51.12 H new ATOM 0 HE21 GLN A 73 8.108 -13.047 -35.328 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.899 -13.540 -37.011 1.00 32.52 H new ATOM 1140 N TRP A 74 9.671 -18.414 -32.606 1.00 23.22 N ATOM 1141 CA TRP A 74 11.090 -18.748 -32.541 1.00 12.20 C ATOM 1142 C TRP A 74 11.836 -18.190 -33.749 1.00 60.11 C ATOM 1143 O TRP A 74 11.604 -18.610 -34.882 1.00 24.22 O ATOM 1144 CB TRP A 74 11.274 -20.265 -32.468 1.00 50.12 C ATOM 1145 CG TRP A 74 10.792 -20.859 -31.180 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.620 -21.529 -30.974 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.470 -20.838 -29.919 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.527 -21.924 -29.661 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.650 -21.513 -28.993 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.690 -20.315 -29.481 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 11.012 -21.676 -27.658 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 13.048 -20.478 -28.157 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.213 -21.155 -27.258 1.00 52.42 C ATOM 0 H TRP A 74 9.083 -19.146 -33.005 1.00 23.22 H new ATOM 0 HA TRP A 74 11.505 -18.295 -31.641 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.739 -20.729 -33.297 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.330 -20.503 -32.597 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.875 -21.720 -31.732 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.748 -22.439 -29.251 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.341 -19.793 -30.166 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.368 -22.195 -26.963 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.988 -20.077 -27.808 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.523 -21.268 -26.230 1.00 52.42 H new ATOM 1164 N VAL A 75 12.733 -17.242 -33.498 1.00 42.22 N ATOM 1165 CA VAL A 75 13.515 -16.628 -34.565 1.00 53.15 C ATOM 1166 C VAL A 75 15.007 -16.848 -34.350 1.00 42.43 C ATOM 1167 O VAL A 75 15.434 -17.282 -33.278 1.00 15.11 O ATOM 1168 CB VAL A 75 13.239 -15.116 -34.663 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.772 -14.859 -34.972 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.653 -14.415 -33.378 1.00 33.52 C ATOM 0 H VAL A 75 12.936 -16.882 -32.565 1.00 42.22 H new ATOM 0 HA VAL A 75 13.211 -17.107 -35.496 1.00 53.15 H new ATOM 0 HB VAL A 75 13.834 -14.708 -35.480 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.597 -13.785 -35.037 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.513 -15.327 -35.921 1.00 25.31 H new ATOM 0 HG13 VAL A 75 11.154 -15.280 -34.179 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.451 -13.347 -33.465 1.00 33.52 H new ATOM 0 HG22 VAL A 75 13.087 -14.825 -32.541 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.718 -14.570 -33.206 1.00 33.52 H new ATOM 1180 N HIS A 76 15.798 -16.547 -35.374 1.00 54.12 N ATOM 1181 CA HIS A 76 17.246 -16.712 -35.297 1.00 10.02 C ATOM 1182 C HIS A 76 17.958 -15.657 -36.138 1.00 43.22 C ATOM 1183 O HIS A 76 17.376 -15.089 -37.063 1.00 33.44 O ATOM 1184 CB HIS A 76 17.647 -18.111 -35.764 1.00 62.13 C ATOM 1185 CG HIS A 76 17.509 -18.311 -37.242 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.243 -17.830 -38.273 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.519 -19.087 -37.808 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.690 -18.320 -39.430 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.651 -19.076 -39.122 1.00 14.42 N flip ATOM 0 H HIS A 76 15.462 -16.187 -36.267 1.00 54.12 H new ATOM 0 HA HIS A 76 17.547 -16.585 -34.257 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.681 -18.299 -35.475 1.00 62.13 H new ATOM 0 HB3 HIS A 76 17.032 -18.848 -35.247 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.755 -19.620 -37.262 1.00 1.42 H new ATOM 0 HE1 HIS A 76 18.046 -18.120 -40.430 1.00 52.22 H new ATOM 0 HE2 HIS A 76 16.053 -19.567 -39.786 1.00 14.42 H new ATOM 1197 N ASP A 77 19.221 -15.401 -35.813 1.00 61.11 N ATOM 1198 CA ASP A 77 20.012 -14.414 -36.540 1.00 41.41 C ATOM 1199 C ASP A 77 20.896 -15.090 -37.584 1.00 24.02 C ATOM 1200 O ASP A 77 21.550 -16.100 -37.320 1.00 23.04 O ATOM 1201 CB ASP A 77 20.875 -13.606 -35.569 1.00 44.44 C ATOM 1202 CG ASP A 77 20.149 -12.393 -35.023 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.433 -11.728 -35.802 1.00 34.33 O ATOM 1204 OD2 ASP A 77 20.297 -12.107 -33.816 1.00 10.11 O1- ATOM 0 H ASP A 77 19.719 -15.863 -35.052 1.00 61.11 H new ATOM 0 HA ASP A 77 19.326 -13.739 -37.052 1.00 41.41 H new ATOM 0 HB2 ASP A 77 21.182 -14.245 -34.741 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.784 -13.284 -36.077 1.00 44.44 H new ATOM 1209 N PRO A 78 20.918 -14.522 -38.798 1.00 15.43 N ATOM 1210 CA PRO A 78 21.717 -15.053 -39.907 1.00 4.43 C ATOM 1211 C PRO A 78 23.214 -14.865 -39.684 1.00 61.31 C ATOM 1212 O PRO A 78 24.030 -15.609 -40.228 1.00 23.50 O ATOM 1213 CB PRO A 78 21.248 -14.230 -41.108 1.00 61.03 C ATOM 1214 CG PRO A 78 20.745 -12.955 -40.522 1.00 70.11 C ATOM 1215 CD PRO A 78 20.165 -13.317 -39.183 1.00 31.15 C ATOM 0 HA PRO A 78 21.580 -16.127 -40.030 1.00 4.43 H new ATOM 0 HB2 PRO A 78 22.065 -14.049 -41.807 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.464 -14.748 -41.661 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.551 -12.229 -40.415 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.991 -12.501 -41.164 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.296 -12.513 -38.458 1.00 31.15 H new ATOM 0 HD3 PRO A 78 19.095 -13.516 -39.249 1.00 31.15 H new ATOM 1223 N SER A 79 23.568 -13.865 -38.882 1.00 34.01 N ATOM 1224 CA SER A 79 24.967 -13.578 -38.590 1.00 21.01 C ATOM 1225 C SER A 79 25.542 -14.607 -37.622 1.00 1.21 C ATOM 1226 O SER A 79 26.736 -14.904 -37.654 1.00 44.53 O ATOM 1227 CB SER A 79 25.109 -12.172 -38.003 1.00 32.35 C ATOM 1228 OG SER A 79 26.417 -11.665 -38.204 1.00 23.51 O ATOM 0 H SER A 79 22.905 -13.240 -38.423 1.00 34.01 H new ATOM 0 HA SER A 79 25.526 -13.632 -39.524 1.00 21.01 H new ATOM 0 HB2 SER A 79 24.382 -11.506 -38.467 1.00 32.35 H new ATOM 0 HB3 SER A 79 24.885 -12.195 -36.937 1.00 32.35 H new ATOM 0 HG SER A 79 26.481 -10.765 -37.821 1.00 23.51 H new ATOM 1234 N GLU A 80 24.684 -15.147 -36.763 1.00 41.40 N ATOM 1235 CA GLU A 80 25.107 -16.142 -35.784 1.00 72.34 C ATOM 1236 C GLU A 80 25.164 -17.532 -36.411 1.00 21.05 C ATOM 1237 O GLU A 80 24.563 -17.795 -37.454 1.00 74.53 O ATOM 1238 CB GLU A 80 24.155 -16.149 -34.586 1.00 2.30 C ATOM 1239 CG GLU A 80 24.538 -15.158 -33.499 1.00 10.13 C ATOM 1240 CD GLU A 80 25.949 -15.370 -32.987 1.00 3.42 C ATOM 1241 OE1 GLU A 80 26.884 -14.777 -33.565 1.00 15.10 O ATOM 1242 OE2 GLU A 80 26.119 -16.129 -32.010 1.00 21.22 O1- ATOM 0 H GLU A 80 23.692 -14.913 -36.725 1.00 41.40 H new ATOM 0 HA GLU A 80 26.107 -15.875 -35.442 1.00 72.34 H new ATOM 0 HB2 GLU A 80 23.146 -15.924 -34.933 1.00 2.30 H new ATOM 0 HB3 GLU A 80 24.129 -17.152 -34.159 1.00 2.30 H new ATOM 0 HG2 GLU A 80 24.445 -14.144 -33.888 1.00 10.13 H new ATOM 0 HG3 GLU A 80 23.837 -15.246 -32.669 1.00 10.13 H new ATOM 1249 N PRO A 81 25.902 -18.443 -35.762 1.00 13.13 N ATOM 1250 CA PRO A 81 26.055 -19.823 -36.238 1.00 34.44 C ATOM 1251 C PRO A 81 24.767 -20.628 -36.104 1.00 52.34 C ATOM 1252 O PRO A 81 24.592 -21.382 -35.148 1.00 32.21 O ATOM 1253 CB PRO A 81 27.141 -20.394 -35.323 1.00 71.33 C ATOM 1254 CG PRO A 81 27.056 -19.579 -34.078 1.00 70.53 C ATOM 1255 CD PRO A 81 26.645 -18.199 -34.515 1.00 61.31 C ATOM 0 HA PRO A 81 26.306 -19.864 -37.298 1.00 34.44 H new ATOM 0 HB2 PRO A 81 26.969 -21.450 -35.117 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.127 -20.315 -35.781 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.330 -20.001 -33.384 1.00 70.53 H new ATOM 0 HG3 PRO A 81 28.015 -19.555 -33.561 1.00 70.53 H new ATOM 0 HD2 PRO A 81 26.023 -17.709 -33.766 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.509 -17.556 -34.682 1.00 61.31 H new ATOM 1263 N VAL A 82 23.868 -20.462 -37.069 1.00 53.33 N ATOM 1264 CA VAL A 82 22.597 -21.174 -37.060 1.00 75.02 C ATOM 1265 C VAL A 82 22.697 -22.487 -37.830 1.00 72.11 C ATOM 1266 O VAL A 82 23.522 -22.628 -38.733 1.00 30.20 O ATOM 1267 CB VAL A 82 21.470 -20.320 -37.670 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.152 -19.136 -36.770 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.851 -19.853 -39.066 1.00 55.33 C ATOM 0 H VAL A 82 23.997 -19.840 -37.867 1.00 53.33 H new ATOM 0 HA VAL A 82 22.360 -21.384 -36.017 1.00 75.02 H new ATOM 0 HB VAL A 82 20.574 -20.935 -37.751 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.353 -18.544 -37.217 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.832 -19.497 -35.793 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.042 -18.517 -36.655 1.00 54.42 H new ATOM 0 HG21 VAL A 82 21.043 -19.251 -39.481 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.760 -19.254 -39.014 1.00 55.33 H new ATOM 0 HG23 VAL A 82 22.024 -20.719 -39.705 1.00 55.33 H new ATOM 1279 N VAL A 83 21.852 -23.446 -37.467 1.00 45.51 N ATOM 1280 CA VAL A 83 21.843 -24.748 -38.124 1.00 23.24 C ATOM 1281 C VAL A 83 20.486 -25.428 -37.978 1.00 60.32 C ATOM 1282 O VAL A 83 19.790 -25.242 -36.980 1.00 51.55 O ATOM 1283 CB VAL A 83 22.933 -25.673 -37.551 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.674 -25.957 -36.080 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.005 -26.966 -38.348 1.00 63.11 C ATOM 0 H VAL A 83 21.164 -23.346 -36.721 1.00 45.51 H new ATOM 0 HA VAL A 83 22.045 -24.571 -39.180 1.00 23.24 H new ATOM 0 HB VAL A 83 23.895 -25.167 -37.634 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.455 -26.612 -35.693 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.677 -25.020 -35.523 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.705 -26.443 -35.968 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.780 -27.608 -37.930 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.044 -27.478 -38.299 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.243 -26.740 -39.387 1.00 63.11 H new ATOM 1295 N THR A 84 20.116 -26.218 -38.981 1.00 64.20 N ATOM 1296 CA THR A 84 18.842 -26.926 -38.966 1.00 3.20 C ATOM 1297 C THR A 84 18.923 -28.182 -38.106 1.00 63.03 C ATOM 1298 O THR A 84 19.587 -29.153 -38.468 1.00 31.55 O ATOM 1299 CB THR A 84 18.401 -27.320 -40.388 1.00 51.33 C ATOM 1300 OG1 THR A 84 18.774 -26.296 -41.318 1.00 23.11 O ATOM 1301 CG2 THR A 84 16.897 -27.541 -40.447 1.00 73.20 C ATOM 0 H THR A 84 20.681 -26.384 -39.814 1.00 64.20 H new ATOM 0 HA THR A 84 18.106 -26.243 -38.542 1.00 3.20 H new ATOM 0 HB THR A 84 18.900 -28.252 -40.654 1.00 51.33 H new ATOM 0 HG1 THR A 84 18.492 -26.555 -42.220 1.00 23.11 H new ATOM 0 HG21 THR A 84 16.609 -27.818 -41.461 1.00 73.20 H new ATOM 0 HG22 THR A 84 16.619 -28.340 -39.760 1.00 73.20 H new ATOM 0 HG23 THR A 84 16.383 -26.623 -40.162 1.00 73.20 H new ATOM 1309 N SER A 85 18.240 -28.158 -36.965 1.00 63.22 N ATOM 1310 CA SER A 85 18.237 -29.294 -36.052 1.00 72.23 C ATOM 1311 C SER A 85 17.517 -30.488 -36.671 1.00 12.14 C ATOM 1312 O SER A 85 16.894 -30.369 -37.727 1.00 43.14 O ATOM 1313 CB SER A 85 17.568 -28.910 -34.730 1.00 44.02 C ATOM 1314 OG SER A 85 18.525 -28.460 -33.786 1.00 4.52 O ATOM 0 H SER A 85 17.682 -27.364 -36.652 1.00 63.22 H new ATOM 0 HA SER A 85 19.272 -29.577 -35.860 1.00 72.23 H new ATOM 0 HB2 SER A 85 16.830 -28.127 -34.906 1.00 44.02 H new ATOM 0 HB3 SER A 85 17.031 -29.769 -34.327 1.00 44.02 H new ATOM 0 HG SER A 85 18.072 -28.219 -32.951 1.00 4.52 H new ATOM 1320 N GLN A 86 17.608 -31.635 -36.008 1.00 41.22 N ATOM 1321 CA GLN A 86 16.967 -32.851 -36.494 1.00 15.52 C ATOM 1322 C GLN A 86 15.449 -32.695 -36.516 1.00 33.45 C ATOM 1323 O GLN A 86 14.744 -33.475 -37.156 1.00 5.03 O ATOM 1324 CB GLN A 86 17.356 -34.043 -35.617 1.00 14.32 C ATOM 1325 CG GLN A 86 17.044 -33.842 -34.143 1.00 72.44 C ATOM 1326 CD GLN A 86 17.567 -34.972 -33.277 1.00 71.42 C ATOM 1327 OE1 GLN A 86 17.466 -36.144 -33.639 1.00 44.12 O ATOM 1328 NE2 GLN A 86 18.129 -34.623 -32.126 1.00 10.53 N ATOM 0 H GLN A 86 18.119 -31.748 -35.133 1.00 41.22 H new ATOM 0 HA GLN A 86 17.311 -33.031 -37.513 1.00 15.52 H new ATOM 0 HB2 GLN A 86 16.833 -34.931 -35.973 1.00 14.32 H new ATOM 0 HB3 GLN A 86 18.423 -34.234 -35.731 1.00 14.32 H new ATOM 0 HG2 GLN A 86 17.480 -32.901 -33.808 1.00 72.44 H new ATOM 0 HG3 GLN A 86 15.965 -33.758 -34.012 1.00 72.44 H new ATOM 0 HE21 GLN A 86 18.191 -33.638 -31.867 1.00 10.53 H new ATOM 0 HE22 GLN A 86 18.499 -35.339 -31.501 1.00 10.53 H new ATOM 1337 N LEU A 87 14.954 -31.682 -35.812 1.00 71.44 N ATOM 1338 CA LEU A 87 13.519 -31.423 -35.751 1.00 4.33 C ATOM 1339 C LEU A 87 13.064 -30.597 -36.950 1.00 70.23 C ATOM 1340 O LEU A 87 11.898 -30.218 -37.048 1.00 74.53 O ATOM 1341 CB LEU A 87 13.169 -30.694 -34.452 1.00 2.42 C ATOM 1342 CG LEU A 87 13.511 -31.430 -33.157 1.00 53.21 C ATOM 1343 CD1 LEU A 87 13.175 -32.908 -33.277 1.00 61.41 C ATOM 1344 CD2 LEU A 87 14.981 -31.242 -32.809 1.00 21.41 C ATOM 0 H LEU A 87 15.524 -31.028 -35.276 1.00 71.44 H new ATOM 0 HA LEU A 87 12.999 -32.381 -35.775 1.00 4.33 H new ATOM 0 HB2 LEU A 87 13.684 -29.734 -34.448 1.00 2.42 H new ATOM 0 HB3 LEU A 87 12.100 -30.482 -34.454 1.00 2.42 H new ATOM 0 HG LEU A 87 12.910 -31.007 -32.352 1.00 53.21 H new ATOM 0 HD11 LEU A 87 13.426 -33.415 -32.345 1.00 61.41 H new ATOM 0 HD12 LEU A 87 12.110 -33.024 -33.478 1.00 61.41 H new ATOM 0 HD13 LEU A 87 13.748 -33.346 -34.094 1.00 61.41 H new ATOM 0 HD21 LEU A 87 15.207 -31.773 -31.884 1.00 21.41 H new ATOM 0 HD22 LEU A 87 15.599 -31.638 -33.615 1.00 21.41 H new ATOM 0 HD23 LEU A 87 15.191 -30.180 -32.679 1.00 21.41 H new ATOM 1356 N GLY A 88 13.993 -30.324 -37.861 1.00 1.03 N ATOM 1357 CA GLY A 88 13.665 -29.548 -39.044 1.00 21.11 C ATOM 1358 C GLY A 88 13.549 -28.066 -38.749 1.00 45.44 C ATOM 1359 O GLY A 88 13.138 -27.284 -39.607 1.00 25.30 O ATOM 0 H GLY A 88 14.966 -30.626 -37.802 1.00 1.03 H new ATOM 0 HA2 GLY A 88 14.432 -29.706 -39.803 1.00 21.11 H new ATOM 0 HA3 GLY A 88 12.724 -29.907 -39.462 1.00 21.11 H new ATOM 1363 N THR A 89 13.909 -27.676 -37.530 1.00 25.22 N ATOM 1364 CA THR A 89 13.839 -26.278 -37.123 1.00 23.44 C ATOM 1365 C THR A 89 15.233 -25.698 -36.906 1.00 41.10 C ATOM 1366 O THR A 89 16.070 -26.306 -36.239 1.00 20.24 O ATOM 1367 CB THR A 89 13.018 -26.109 -35.830 1.00 2.30 C ATOM 1368 OG1 THR A 89 13.789 -26.538 -34.702 1.00 12.24 O ATOM 1369 CG2 THR A 89 11.726 -26.908 -35.902 1.00 52.51 C ATOM 0 H THR A 89 14.252 -28.309 -36.807 1.00 25.22 H new ATOM 0 HA THR A 89 13.345 -25.738 -37.931 1.00 23.44 H new ATOM 0 HB THR A 89 12.768 -25.054 -35.718 1.00 2.30 H new ATOM 0 HG1 THR A 89 13.262 -26.426 -33.884 1.00 12.24 H new ATOM 0 HG21 THR A 89 11.163 -26.773 -34.978 1.00 52.51 H new ATOM 0 HG22 THR A 89 11.129 -26.559 -36.745 1.00 52.51 H new ATOM 0 HG23 THR A 89 11.959 -27.965 -36.034 1.00 52.51 H new ATOM 1377 N ILE A 90 15.473 -24.521 -37.472 1.00 10.10 N ATOM 1378 CA ILE A 90 16.766 -23.860 -37.339 1.00 62.35 C ATOM 1379 C ILE A 90 17.025 -23.448 -35.893 1.00 75.12 C ATOM 1380 O ILE A 90 16.098 -23.108 -35.158 1.00 35.51 O ATOM 1381 CB ILE A 90 16.856 -22.614 -38.240 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.503 -22.976 -39.684 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.249 -22.007 -38.166 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.531 -23.861 -40.354 1.00 52.12 C ATOM 0 H ILE A 90 14.790 -24.005 -38.027 1.00 10.10 H new ATOM 0 HA ILE A 90 17.523 -24.579 -37.651 1.00 62.35 H new ATOM 0 HB ILE A 90 16.139 -21.874 -37.885 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.537 -23.481 -39.698 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.392 -22.059 -40.263 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.297 -21.127 -38.808 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.466 -21.718 -37.138 1.00 75.22 H new ATOM 0 HG23 ILE A 90 18.984 -22.740 -38.499 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.215 -24.077 -41.375 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.494 -23.351 -40.372 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.625 -24.794 -39.798 1.00 52.12 H new ATOM 1396 N ASN A 91 18.292 -23.478 -35.493 1.00 74.31 N ATOM 1397 CA ASN A 91 18.674 -23.107 -34.136 1.00 40.23 C ATOM 1398 C ASN A 91 20.092 -22.544 -34.105 1.00 12.32 C ATOM 1399 O ASN A 91 20.905 -22.834 -34.982 1.00 61.32 O ATOM 1400 CB ASN A 91 18.573 -24.317 -33.206 1.00 75.11 C ATOM 1401 CG ASN A 91 18.930 -25.615 -33.905 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.196 -26.086 -34.775 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.061 -26.200 -33.528 1.00 13.21 N ATOM 0 H ASN A 91 19.071 -23.755 -36.090 1.00 74.31 H new ATOM 0 HA ASN A 91 17.987 -22.334 -33.790 1.00 40.23 H new ATOM 0 HB2 ASN A 91 19.236 -24.173 -32.353 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.559 -24.386 -32.813 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.352 -27.075 -33.963 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.638 -25.774 -32.803 1.00 13.21 H new ATOM 1410 N ASN A 92 20.380 -21.737 -33.088 1.00 4.32 N ATOM 1411 CA ASN A 92 21.700 -21.134 -32.943 1.00 54.51 C ATOM 1412 C ASN A 92 22.694 -22.133 -32.358 1.00 33.33 C ATOM 1413 O ASN A 92 22.316 -23.226 -31.935 1.00 14.13 O ATOM 1414 CB ASN A 92 21.621 -19.894 -32.050 1.00 61.45 C ATOM 1415 CG ASN A 92 20.824 -18.773 -32.687 1.00 60.54 C ATOM 1416 OD1 ASN A 92 19.721 -18.449 -32.245 1.00 53.33 O ATOM 1417 ND2 ASN A 92 21.381 -18.171 -33.732 1.00 23.44 N ATOM 0 H ASN A 92 19.718 -21.486 -32.354 1.00 4.32 H new ATOM 0 HA ASN A 92 22.048 -20.840 -33.933 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.165 -20.164 -31.097 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.629 -19.541 -31.833 1.00 61.45 H new ATOM 0 HD21 ASN A 92 20.893 -17.408 -34.201 1.00 23.44 H new ATOM 0 HD22 ASN A 92 22.297 -18.472 -34.065 1.00 23.44 H new ATOM 1424 N LEU A 93 23.966 -21.750 -32.336 1.00 32.05 N ATOM 1425 CA LEU A 93 25.015 -22.611 -31.802 1.00 34.14 C ATOM 1426 C LEU A 93 25.926 -21.837 -30.856 1.00 2.14 C ATOM 1427 O LEU A 93 26.350 -20.722 -31.160 1.00 5.21 O ATOM 1428 CB LEU A 93 25.838 -23.212 -32.944 1.00 74.14 C ATOM 1429 CG LEU A 93 26.983 -24.137 -32.530 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.471 -25.251 -31.629 1.00 3.13 C ATOM 1431 CD2 LEU A 93 27.671 -24.717 -33.757 1.00 72.43 C ATOM 0 H LEU A 93 24.296 -20.849 -32.682 1.00 32.05 H new ATOM 0 HA LEU A 93 24.540 -23.416 -31.241 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.165 -23.769 -33.596 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.252 -22.396 -33.535 1.00 74.14 H new ATOM 0 HG LEU A 93 27.713 -23.551 -31.971 1.00 42.32 H new ATOM 0 HD11 LEU A 93 27.300 -25.899 -31.345 1.00 3.13 H new ATOM 0 HD12 LEU A 93 26.025 -24.819 -30.733 1.00 3.13 H new ATOM 0 HD13 LEU A 93 25.721 -25.835 -32.163 1.00 3.13 H new ATOM 0 HD21 LEU A 93 28.483 -25.373 -33.443 1.00 72.43 H new ATOM 0 HD22 LEU A 93 26.950 -25.287 -34.343 1.00 72.43 H new ATOM 0 HD23 LEU A 93 28.073 -23.907 -34.365 1.00 72.43 H new ATOM 1443 N ILE A 94 26.226 -22.436 -29.708 1.00 14.30 N ATOM 1444 CA ILE A 94 27.089 -21.804 -28.719 1.00 21.03 C ATOM 1445 C ILE A 94 28.172 -22.765 -28.239 1.00 2.32 C ATOM 1446 O ILE A 94 27.912 -23.949 -28.020 1.00 25.24 O ATOM 1447 CB ILE A 94 26.283 -21.309 -27.504 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.221 -20.710 -26.453 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.469 -22.447 -26.907 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.689 -19.444 -25.819 1.00 45.44 C ATOM 0 H ILE A 94 25.884 -23.359 -29.440 1.00 14.30 H new ATOM 0 HA ILE A 94 27.556 -20.949 -29.208 1.00 21.03 H new ATOM 0 HB ILE A 94 25.594 -20.532 -27.836 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.399 -21.450 -25.673 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.184 -20.497 -26.917 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.905 -22.080 -26.049 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.778 -22.833 -27.657 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.139 -23.245 -26.586 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.406 -19.076 -25.085 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.537 -18.687 -26.589 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.740 -19.655 -25.326 1.00 45.44 H new ATOM 1462 N HIS A 95 29.385 -22.248 -28.077 1.00 34.15 N ATOM 1463 CA HIS A 95 30.508 -23.060 -27.621 1.00 64.32 C ATOM 1464 C HIS A 95 31.134 -22.464 -26.364 1.00 64.02 C ATOM 1465 O HIS A 95 31.754 -21.402 -26.411 1.00 35.41 O ATOM 1466 CB HIS A 95 31.560 -23.177 -28.723 1.00 24.45 C ATOM 1467 CG HIS A 95 30.984 -23.470 -30.074 1.00 31.14 C ATOM 1468 ND1 HIS A 95 30.780 -22.499 -31.032 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.569 -24.633 -30.626 1.00 34.13 C ATOM 1470 CE1 HIS A 95 30.262 -23.053 -32.114 1.00 5.54 C ATOM 1471 NE2 HIS A 95 30.125 -24.348 -31.894 1.00 74.23 N ATOM 0 H HIS A 95 29.616 -21.271 -28.255 1.00 34.15 H new ATOM 0 HA HIS A 95 30.132 -24.055 -27.381 1.00 64.32 H new ATOM 0 HB2 HIS A 95 32.127 -22.247 -28.773 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.264 -23.966 -28.459 1.00 24.45 H new ATOM 0 HD1 HIS A 95 30.995 -21.508 -30.922 1.00 4.01 H new ATOM 0 HD2 HIS A 95 30.584 -25.606 -30.157 1.00 34.13 H new ATOM 0 HE1 HIS A 95 29.996 -22.535 -33.024 1.00 5.54 H new ATOM 1479 N VAL A 96 30.966 -23.154 -25.241 1.00 71.10 N ATOM 1480 CA VAL A 96 31.515 -22.693 -23.971 1.00 11.24 C ATOM 1481 C VAL A 96 32.792 -23.447 -23.618 1.00 23.32 C ATOM 1482 O VAL A 96 32.926 -24.636 -23.912 1.00 52.24 O ATOM 1483 CB VAL A 96 30.499 -22.862 -22.826 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.087 -22.369 -21.513 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.206 -22.128 -23.149 1.00 41.02 C ATOM 0 H VAL A 96 30.454 -24.034 -25.184 1.00 71.10 H new ATOM 0 HA VAL A 96 31.743 -21.634 -24.091 1.00 11.24 H new ATOM 0 HB VAL A 96 30.272 -23.923 -22.719 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.355 -22.496 -20.716 1.00 42.13 H new ATOM 0 HG12 VAL A 96 31.983 -22.943 -21.278 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.345 -21.314 -21.603 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.499 -22.258 -22.329 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.414 -21.067 -23.284 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.777 -22.533 -24.066 1.00 41.02 H new ATOM 1495 N LYS A 97 33.729 -22.750 -22.985 1.00 44.04 N ATOM 1496 CA LYS A 97 34.996 -23.353 -22.589 1.00 64.01 C ATOM 1497 C LYS A 97 35.151 -23.348 -21.071 1.00 11.30 C ATOM 1498 O LYS A 97 34.239 -22.950 -20.346 1.00 22.05 O ATOM 1499 CB LYS A 97 36.164 -22.604 -23.235 1.00 22.12 C ATOM 1500 CG LYS A 97 36.036 -22.459 -24.741 1.00 65.04 C ATOM 1501 CD LYS A 97 36.194 -23.796 -25.446 1.00 43.35 C ATOM 1502 CE LYS A 97 34.908 -24.215 -26.140 1.00 51.30 C ATOM 1503 NZ LYS A 97 34.990 -24.031 -27.617 1.00 53.41 N1+ ATOM 0 H LYS A 97 33.635 -21.766 -22.735 1.00 44.04 H new ATOM 0 HA LYS A 97 35.001 -24.387 -22.933 1.00 64.01 H new ATOM 0 HB2 LYS A 97 36.240 -21.613 -22.788 1.00 22.12 H new ATOM 0 HB3 LYS A 97 37.092 -23.129 -23.007 1.00 22.12 H new ATOM 0 HG2 LYS A 97 35.064 -22.031 -24.985 1.00 65.04 H new ATOM 0 HG3 LYS A 97 36.791 -21.763 -25.106 1.00 65.04 H new ATOM 0 HD2 LYS A 97 36.999 -23.730 -26.178 1.00 43.35 H new ATOM 0 HD3 LYS A 97 36.483 -24.558 -24.722 1.00 43.35 H new ATOM 0 HE2 LYS A 97 34.698 -25.261 -25.915 1.00 51.30 H new ATOM 0 HE3 LYS A 97 34.076 -23.631 -25.747 1.00 51.30 H new ATOM 0 HZ1 LYS A 97 34.291 -24.644 -28.083 1.00 53.41 H new ATOM 0 HZ2 LYS A 97 34.792 -23.038 -27.855 1.00 53.41 H new ATOM 0 HZ3 LYS A 97 35.944 -24.282 -27.946 1.00 53.41 H new ATOM 1517 N LYS A 98 36.311 -23.789 -20.598 1.00 74.24 N ATOM 1518 CA LYS A 98 36.587 -23.833 -19.167 1.00 23.01 C ATOM 1519 C LYS A 98 37.287 -22.557 -18.709 1.00 51.53 C ATOM 1520 O LYS A 98 37.843 -21.817 -19.520 1.00 60.44 O ATOM 1521 CB LYS A 98 37.452 -25.049 -18.830 1.00 33.11 C ATOM 1522 CG LYS A 98 36.650 -26.263 -18.391 1.00 25.01 C ATOM 1523 CD LYS A 98 37.467 -27.539 -18.498 1.00 15.04 C ATOM 1524 CE LYS A 98 37.624 -27.981 -19.944 1.00 13.42 C ATOM 1525 NZ LYS A 98 38.918 -28.683 -20.172 1.00 54.44 N1+ ATOM 0 H LYS A 98 37.076 -24.121 -21.185 1.00 74.24 H new ATOM 0 HA LYS A 98 35.635 -23.915 -18.642 1.00 23.01 H new ATOM 0 HB2 LYS A 98 38.048 -25.314 -19.703 1.00 33.11 H new ATOM 0 HB3 LYS A 98 38.150 -24.779 -18.038 1.00 33.11 H new ATOM 0 HG2 LYS A 98 36.318 -26.128 -17.362 1.00 25.01 H new ATOM 0 HG3 LYS A 98 35.754 -26.351 -19.006 1.00 25.01 H new ATOM 0 HD2 LYS A 98 38.451 -27.380 -18.056 1.00 15.04 H new ATOM 0 HD3 LYS A 98 36.984 -28.331 -17.925 1.00 15.04 H new ATOM 0 HE2 LYS A 98 36.800 -28.642 -20.213 1.00 13.42 H new ATOM 0 HE3 LYS A 98 37.562 -27.111 -20.598 1.00 13.42 H new ATOM 0 HZ1 LYS A 98 38.987 -28.968 -21.170 1.00 54.44 H new ATOM 0 HZ2 LYS A 98 39.705 -28.044 -19.939 1.00 54.44 H new ATOM 0 HZ3 LYS A 98 38.966 -29.527 -19.566 1.00 54.44 H new ATOM 1539 N SER A 99 37.256 -22.306 -17.404 1.00 14.41 N ATOM 1540 CA SER A 99 37.885 -21.118 -16.838 1.00 13.42 C ATOM 1541 C SER A 99 39.001 -21.502 -15.872 1.00 64.32 C ATOM 1542 O SER A 99 39.580 -20.646 -15.203 1.00 50.24 O ATOM 1543 CB SER A 99 36.845 -20.257 -16.119 1.00 43.11 C ATOM 1544 OG SER A 99 36.280 -19.300 -16.997 1.00 72.34 O ATOM 0 H SER A 99 36.802 -22.910 -16.719 1.00 14.41 H new ATOM 0 HA SER A 99 38.319 -20.542 -17.656 1.00 13.42 H new ATOM 0 HB2 SER A 99 36.058 -20.894 -15.715 1.00 43.11 H new ATOM 0 HB3 SER A 99 37.310 -19.750 -15.274 1.00 43.11 H new ATOM 0 HG SER A 99 35.617 -18.764 -16.514 1.00 72.34 H new ATOM 1550 N ASP A 100 39.296 -22.795 -15.803 1.00 21.41 N ATOM 1551 CA ASP A 100 40.343 -23.295 -14.920 1.00 72.12 C ATOM 1552 C ASP A 100 41.581 -23.698 -15.716 1.00 71.42 C ATOM 1553 O ASP A 100 42.639 -23.966 -15.145 1.00 64.40 O ATOM 1554 CB ASP A 100 39.831 -24.490 -14.112 1.00 42.33 C ATOM 1555 CG ASP A 100 39.256 -24.078 -12.771 1.00 43.51 C ATOM 1556 OD1 ASP A 100 38.054 -23.742 -12.719 1.00 11.15 O ATOM 1557 OD2 ASP A 100 40.007 -24.091 -11.774 1.00 33.43 O1- ATOM 0 H ASP A 100 38.825 -23.517 -16.348 1.00 21.41 H new ATOM 0 HA ASP A 100 40.619 -22.493 -14.235 1.00 72.12 H new ATOM 0 HB2 ASP A 100 39.067 -25.013 -14.687 1.00 42.33 H new ATOM 0 HB3 ASP A 100 40.648 -25.194 -13.953 1.00 42.33 H new ATOM 1562 N PHE A 101 41.442 -23.737 -17.037 1.00 50.24 N ATOM 1563 CA PHE A 101 42.547 -24.108 -17.911 1.00 52.20 C ATOM 1564 C PHE A 101 43.562 -22.973 -18.016 1.00 12.35 C ATOM 1565 O PHE A 101 44.747 -23.159 -17.737 1.00 3.02 O ATOM 1566 CB PHE A 101 42.026 -24.470 -19.303 1.00 35.31 C ATOM 1567 CG PHE A 101 42.842 -25.525 -19.994 1.00 34.52 C ATOM 1568 CD1 PHE A 101 43.991 -25.185 -20.690 1.00 14.24 C ATOM 1569 CD2 PHE A 101 42.462 -26.856 -19.946 1.00 20.25 C ATOM 1570 CE1 PHE A 101 44.743 -26.154 -21.327 1.00 13.03 C ATOM 1571 CE2 PHE A 101 43.210 -27.829 -20.581 1.00 65.45 C ATOM 1572 CZ PHE A 101 44.354 -27.478 -21.272 1.00 64.21 C ATOM 0 H PHE A 101 40.574 -23.516 -17.525 1.00 50.24 H new ATOM 0 HA PHE A 101 43.042 -24.977 -17.479 1.00 52.20 H new ATOM 0 HB2 PHE A 101 40.996 -24.817 -19.218 1.00 35.31 H new ATOM 0 HB3 PHE A 101 42.010 -23.572 -19.921 1.00 35.31 H new ATOM 0 HD1 PHE A 101 44.302 -24.152 -20.735 1.00 14.24 H new ATOM 0 HD2 PHE A 101 41.570 -27.137 -19.406 1.00 20.25 H new ATOM 0 HE1 PHE A 101 45.635 -25.876 -21.868 1.00 13.03 H new ATOM 0 HE2 PHE A 101 42.901 -28.863 -20.537 1.00 65.45 H new ATOM 0 HZ PHE A 101 44.942 -28.236 -21.767 1.00 64.21 H new ATOM 1582 N GLU A 102 43.089 -21.799 -18.419 1.00 41.20 N ATOM 1583 CA GLU A 102 43.954 -20.634 -18.562 1.00 23.42 C ATOM 1584 C GLU A 102 44.452 -20.156 -17.201 1.00 31.32 C ATOM 1585 O GLU A 102 45.611 -19.766 -17.053 1.00 22.45 O ATOM 1586 CB GLU A 102 43.210 -19.501 -19.272 1.00 44.53 C ATOM 1587 CG GLU A 102 42.721 -19.871 -20.662 1.00 64.11 C ATOM 1588 CD GLU A 102 43.800 -19.726 -21.717 1.00 43.01 C ATOM 1589 OE1 GLU A 102 44.615 -18.787 -21.608 1.00 63.14 O1- ATOM 1590 OE2 GLU A 102 43.828 -20.553 -22.654 1.00 44.44 O ATOM 0 H GLU A 102 42.111 -21.629 -18.653 1.00 41.20 H new ATOM 0 HA GLU A 102 44.815 -20.925 -19.163 1.00 23.42 H new ATOM 0 HB2 GLU A 102 42.357 -19.201 -18.664 1.00 44.53 H new ATOM 0 HB3 GLU A 102 43.869 -18.636 -19.346 1.00 44.53 H new ATOM 0 HG2 GLU A 102 42.361 -20.900 -20.655 1.00 64.11 H new ATOM 0 HG3 GLU A 102 41.873 -19.239 -20.925 1.00 64.11 H new ATOM 1597 N VAL A 103 43.568 -20.188 -16.209 1.00 60.30 N ATOM 1598 CA VAL A 103 43.917 -19.760 -14.860 1.00 31.21 C ATOM 1599 C VAL A 103 44.609 -20.878 -14.089 1.00 30.52 C ATOM 1600 O VAL A 103 44.132 -22.012 -14.057 1.00 22.42 O ATOM 1601 CB VAL A 103 42.671 -19.307 -14.076 1.00 61.50 C ATOM 1602 CG1 VAL A 103 43.073 -18.684 -12.747 1.00 42.11 C ATOM 1603 CG2 VAL A 103 41.845 -18.333 -14.903 1.00 63.24 C ATOM 0 H VAL A 103 42.605 -20.506 -16.314 1.00 60.30 H new ATOM 0 HA VAL A 103 44.600 -18.917 -14.963 1.00 31.21 H new ATOM 0 HB VAL A 103 42.056 -20.183 -13.868 1.00 61.50 H new ATOM 0 HG11 VAL A 103 42.180 -18.370 -12.207 1.00 42.11 H new ATOM 0 HG12 VAL A 103 43.618 -19.417 -12.152 1.00 42.11 H new ATOM 0 HG13 VAL A 103 43.710 -17.818 -12.929 1.00 42.11 H new ATOM 0 HG21 VAL A 103 40.969 -18.024 -14.333 1.00 63.24 H new ATOM 0 HG22 VAL A 103 42.448 -17.458 -15.144 1.00 63.24 H new ATOM 0 HG23 VAL A 103 41.525 -18.819 -15.825 1.00 63.24 H new ATOM 1613 N PHE A 104 45.738 -20.551 -13.470 1.00 61.33 N ATOM 1614 CA PHE A 104 46.498 -21.528 -12.699 1.00 23.11 C ATOM 1615 C PHE A 104 46.165 -21.426 -11.213 1.00 72.44 C ATOM 1616 O PHE A 104 46.116 -22.433 -10.506 1.00 53.23 O ATOM 1617 CB PHE A 104 47.999 -21.321 -12.912 1.00 2.53 C ATOM 1618 CG PHE A 104 48.426 -21.463 -14.345 1.00 12.10 C ATOM 1619 CD1 PHE A 104 48.534 -22.716 -14.928 1.00 22.33 C ATOM 1620 CD2 PHE A 104 48.720 -20.346 -15.109 1.00 12.11 C ATOM 1621 CE1 PHE A 104 48.927 -22.850 -16.246 1.00 12.34 C ATOM 1622 CE2 PHE A 104 49.113 -20.473 -16.428 1.00 64.01 C ATOM 1623 CZ PHE A 104 49.216 -21.727 -16.998 1.00 63.04 C ATOM 0 H PHE A 104 46.147 -19.617 -13.487 1.00 61.33 H new ATOM 0 HA PHE A 104 46.222 -22.523 -13.048 1.00 23.11 H new ATOM 0 HB2 PHE A 104 48.275 -20.329 -12.556 1.00 2.53 H new ATOM 0 HB3 PHE A 104 48.547 -22.042 -12.305 1.00 2.53 H new ATOM 0 HD1 PHE A 104 48.309 -23.597 -14.346 1.00 22.33 H new ATOM 0 HD2 PHE A 104 48.641 -19.363 -14.669 1.00 12.11 H new ATOM 0 HE1 PHE A 104 49.008 -23.832 -16.688 1.00 12.34 H new ATOM 0 HE2 PHE A 104 49.339 -19.593 -17.012 1.00 64.01 H new ATOM 0 HZ PHE A 104 49.522 -21.830 -18.029 1.00 63.04 H new ATOM 1633 N ASP A 105 45.939 -20.203 -10.746 1.00 44.53 N ATOM 1634 CA ASP A 105 45.610 -19.968 -9.345 1.00 13.01 C ATOM 1635 C ASP A 105 44.142 -20.278 -9.072 1.00 31.21 C ATOM 1636 O ASP A 105 43.713 -20.333 -7.918 1.00 0.42 O ATOM 1637 CB ASP A 105 45.919 -18.520 -8.962 1.00 0.32 C ATOM 1638 CG ASP A 105 47.386 -18.176 -9.134 1.00 43.24 C ATOM 1639 OD1 ASP A 105 48.202 -19.110 -9.271 1.00 42.42 O ATOM 1640 OD2 ASP A 105 47.716 -16.972 -9.131 1.00 40.31 O1- ATOM 0 H ASP A 105 45.978 -19.359 -11.317 1.00 44.53 H new ATOM 0 HA ASP A 105 46.222 -20.634 -8.737 1.00 13.01 H new ATOM 0 HB2 ASP A 105 45.317 -17.849 -9.575 1.00 0.32 H new ATOM 0 HB3 ASP A 105 45.628 -18.352 -7.925 1.00 0.32 H new TER 1645 ASP A 105