USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1149 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 115 TYR OH : rot 0:sc= 1.88 USER MOD Set 1.2: A 143 THR OG1 : rot -156:sc= 1.33 USER MOD Set 1.3: A 145 ASN : amide:sc= 0.892 K(o=4.1,f=2.5) USER MOD Set 2.1: A 79 ASN : amide:sc= -1.17 K(o=-0.32,f=-8.1!) USER MOD Set 2.2: A 123 TYR OH : rot -179:sc= 0.855 USER MOD Set 3.1: A 66 LYS NZ :NH3+ 175:sc= 2.14 (180deg=0.85) USER MOD Set 3.2: A 68 THR OG1 : rot 76:sc= 1.98 USER MOD Set 4.1: A 53 TYR OH : rot -151:sc= 0.801 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -155:sc= 2.32 (180deg=1.2) USER MOD Set 5.1: A 27 LYS NZ :NH3+ 178:sc= 1.97 (180deg=0.694) USER MOD Set 5.2: A 29 GLN : amide:sc= 2.34 K(o=4.3,f=-8.6!) USER MOD Set 6.1: A 12 THR OG1 : rot 180:sc= 0.744 USER MOD Set 6.2: A 14 GLN : amide:sc= 1.96 K(o=5,f=-6.8!) USER MOD Set 6.3: A 23 LYS NZ :NH3+ -157:sc= 2.34 (180deg=1.07) USER MOD Set 7.1: A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Set 7.2: A 21 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 1 MET N :NH3+ -115:sc= 1.28 (180deg=-0.01) USER MOD Set 8.2: A 2 GLN : amide:sc= 0.976 K(o=2.3,f=-9.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 4 HIS : no HE2:sc= 1.03 K(o=1,f=-3.3!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 11 GLN : amide:sc= 0.626 K(o=0.63,f=-0.64) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 170:sc= 2.18 USER MOD Single : A 24 MET CE :methyl -179:sc= -0.701 (180deg=-0.701) USER MOD Single : A 39 HIS : no HE2:sc= -0.61 X(o=-0.61,f=-0.24) USER MOD Single : A 40 THR OG1 : rot -67:sc= 1.47 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -54:sc= 0.19 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 41:sc= 1.88 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.319 F(o=-2.2,f=-0.32) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= 0.402 (180deg=-2.02!) USER MOD Single : A 84 HIS : no HE2:sc= 0.128 K(o=0.13,f=-2.3!) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0356) USER MOD Single : A 87 SER OG : rot 180:sc= -0.458 USER MOD Single : A 91 ASN : amide:sc= 2.03 K(o=2,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= 1.15 (180deg=0.844) USER MOD Single : A 104 LYS NZ :NH3+ -134:sc= 1.79 (180deg=-2.71!) USER MOD Single : A 106 HIS : no HE2:sc= 0.679 K(o=0.68,f=-4.1!) USER MOD Single : A 110 SER OG : rot -60:sc= 0.152 USER MOD Single : A 112 SER OG : rot 139:sc= 1.24 USER MOD Single : A 116 ASN : amide:sc= 0.828 K(o=0.83,f=-1.8!) USER MOD Single : A 117 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 124:sc= 1.24 USER MOD Single : A 124 SER OG : rot -43:sc= 0.256 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.533 F(o=-1.4,f=-0.53) USER MOD Single : A 138 SER OG : rot 14:sc= 0.703 USER MOD Single : A 142 LYS NZ :NH3+ 150:sc= -0.0785 (180deg=-1.19) USER MOD Single : A 149 HIS : no HE2:sc= 1.41 K(o=1.4,f=-9.9!) USER MOD Single : A 155 LYS NZ :NH3+ 176:sc= -0.657 (180deg=-0.796!) USER MOD Single : A 156 GLN : amide:sc= -0.635 K(o=-0.64,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.737 -24.639 -41.340 1.00 48.20 N ATOM 2 CA MET A 1 9.595 -23.778 -41.705 1.00 48.00 C ATOM 3 C MET A 1 8.295 -24.366 -41.138 1.00 46.38 C ATOM 4 O MET A 1 7.393 -24.725 -41.886 1.00 46.17 O ATOM 5 CB MET A 1 9.510 -23.584 -43.228 1.00 49.26 C ATOM 6 CG MET A 1 10.660 -22.749 -43.801 1.00 50.61 C ATOM 7 SD MET A 1 10.498 -22.406 -45.573 1.00 52.09 S ATOM 8 CE MET A 1 11.963 -21.384 -45.838 1.00 53.24 C ATOM 0 H1 MET A 1 11.377 -24.117 -40.707 1.00 48.20 H new ATOM 0 H2 MET A 1 10.389 -25.491 -40.855 1.00 48.20 H new ATOM 0 H3 MET A 1 11.251 -24.916 -42.200 1.00 48.20 H new ATOM 0 HA MET A 1 9.746 -22.792 -41.266 1.00 48.00 H new ATOM 0 HB2 MET A 1 9.504 -24.561 -43.711 1.00 49.26 H new ATOM 0 HB3 MET A 1 8.564 -23.102 -43.473 1.00 49.26 H new ATOM 0 HG2 MET A 1 10.716 -21.804 -43.261 1.00 50.61 H new ATOM 0 HG3 MET A 1 11.600 -23.272 -43.626 1.00 50.61 H new ATOM 0 HE1 MET A 1 12.014 -21.086 -46.885 1.00 53.24 H new ATOM 0 HE2 MET A 1 11.905 -20.495 -45.210 1.00 53.24 H new ATOM 0 HE3 MET A 1 12.856 -21.954 -45.579 1.00 53.24 H new ATOM 20 N GLN A 2 8.216 -24.497 -39.811 1.00 45.31 N ATOM 21 CA GLN A 2 7.041 -24.960 -39.089 1.00 43.74 C ATOM 22 C GLN A 2 7.295 -24.665 -37.611 1.00 42.74 C ATOM 23 O GLN A 2 8.445 -24.429 -37.238 1.00 43.37 O ATOM 24 CB GLN A 2 6.761 -26.456 -39.332 1.00 43.28 C ATOM 25 CG GLN A 2 7.982 -27.377 -39.164 1.00 43.52 C ATOM 26 CD GLN A 2 8.729 -27.598 -40.477 1.00 44.62 C ATOM 27 OE1 GLN A 2 9.775 -26.997 -40.722 1.00 45.43 O ATOM 28 NE2 GLN A 2 8.199 -28.451 -41.347 1.00 44.76 N ATOM 0 H GLN A 2 8.998 -24.275 -39.195 1.00 45.31 H new ATOM 0 HA GLN A 2 6.149 -24.443 -39.442 1.00 43.74 H new ATOM 0 HB2 GLN A 2 5.981 -26.782 -38.644 1.00 43.28 H new ATOM 0 HB3 GLN A 2 6.368 -26.578 -40.341 1.00 43.28 H new ATOM 0 HG2 GLN A 2 8.662 -26.944 -38.431 1.00 43.52 H new ATOM 0 HG3 GLN A 2 7.656 -28.339 -38.768 1.00 43.52 H new ATOM 0 HE21 GLN A 2 7.331 -28.937 -41.121 1.00 44.76 H new ATOM 0 HE22 GLN A 2 8.660 -28.620 -42.241 1.00 44.76 H new ATOM 37 N SER A 3 6.243 -24.669 -36.791 1.00 41.28 N ATOM 38 CA SER A 3 6.306 -24.546 -35.344 1.00 40.17 C ATOM 39 C SER A 3 4.914 -24.880 -34.805 1.00 38.58 C ATOM 40 O SER A 3 4.009 -25.167 -35.592 1.00 38.55 O ATOM 41 CB SER A 3 6.756 -23.139 -34.921 1.00 40.55 C ATOM 42 OG SER A 3 6.911 -23.089 -33.514 1.00 40.25 O ATOM 0 H SER A 3 5.288 -24.762 -37.136 1.00 41.28 H new ATOM 0 HA SER A 3 7.046 -25.232 -34.932 1.00 40.17 H new ATOM 0 HB2 SER A 3 7.697 -22.886 -35.409 1.00 40.55 H new ATOM 0 HB3 SER A 3 6.022 -22.400 -35.242 1.00 40.55 H new ATOM 0 HG SER A 3 7.200 -22.191 -33.248 1.00 40.25 H new ATOM 48 N HIS A 4 4.756 -24.830 -33.483 1.00 37.34 N ATOM 49 CA HIS A 4 3.529 -25.065 -32.734 1.00 35.73 C ATOM 50 C HIS A 4 3.793 -24.647 -31.287 1.00 34.73 C ATOM 51 O HIS A 4 4.939 -24.393 -30.918 1.00 35.37 O ATOM 52 CB HIS A 4 3.098 -26.543 -32.818 1.00 35.42 C ATOM 53 CG HIS A 4 1.842 -26.756 -33.625 1.00 35.50 C ATOM 54 ND1 HIS A 4 1.661 -26.401 -34.941 1.00 36.45 N ATOM 55 CD2 HIS A 4 0.669 -27.307 -33.181 1.00 34.77 C ATOM 56 CE1 HIS A 4 0.405 -26.733 -35.284 1.00 36.32 C ATOM 57 NE2 HIS A 4 -0.239 -27.289 -34.245 1.00 35.31 N ATOM 0 H HIS A 4 5.538 -24.609 -32.867 1.00 37.34 H new ATOM 0 HA HIS A 4 2.710 -24.482 -33.155 1.00 35.73 H new ATOM 0 HB2 HIS A 4 3.907 -27.125 -33.259 1.00 35.42 H new ATOM 0 HB3 HIS A 4 2.942 -26.926 -31.810 1.00 35.42 H new ATOM 0 HD1 HIS A 4 2.355 -25.964 -35.548 1.00 36.45 H new ATOM 0 HD2 HIS A 4 0.479 -27.687 -32.188 1.00 34.77 H new ATOM 0 HE1 HIS A 4 -0.027 -26.574 -36.261 1.00 36.32 H new ATOM 65 N SER A 5 2.741 -24.572 -30.470 1.00 33.25 N ATOM 66 CA SER A 5 2.826 -24.299 -29.043 1.00 32.13 C ATOM 67 C SER A 5 1.476 -24.664 -28.425 1.00 30.45 C ATOM 68 O SER A 5 0.528 -24.946 -29.160 1.00 30.24 O ATOM 69 CB SER A 5 3.200 -22.828 -28.805 1.00 32.49 C ATOM 70 OG SER A 5 2.344 -21.972 -29.534 1.00 32.61 O ATOM 0 H SER A 5 1.783 -24.704 -30.796 1.00 33.25 H new ATOM 0 HA SER A 5 3.608 -24.894 -28.571 1.00 32.13 H new ATOM 0 HB2 SER A 5 3.133 -22.598 -27.742 1.00 32.49 H new ATOM 0 HB3 SER A 5 4.234 -22.657 -29.104 1.00 32.49 H new ATOM 0 HG SER A 5 2.596 -21.039 -29.369 1.00 32.61 H new ATOM 76 N ALA A 6 1.391 -24.678 -27.092 1.00 29.37 N ATOM 77 CA ALA A 6 0.169 -24.928 -26.345 1.00 27.75 C ATOM 78 C ALA A 6 0.380 -24.380 -24.935 1.00 26.75 C ATOM 79 O ALA A 6 1.521 -24.139 -24.542 1.00 27.29 O ATOM 80 CB ALA A 6 -0.134 -26.430 -26.312 1.00 27.53 C ATOM 0 H ALA A 6 2.198 -24.510 -26.491 1.00 29.37 H new ATOM 0 HA ALA A 6 -0.683 -24.438 -26.815 1.00 27.75 H new ATOM 0 HB1 ALA A 6 -1.051 -26.604 -25.750 1.00 27.53 H new ATOM 0 HB2 ALA A 6 -0.257 -26.799 -27.330 1.00 27.53 H new ATOM 0 HB3 ALA A 6 0.691 -26.957 -25.832 1.00 27.53 H new ATOM 86 N LEU A 7 -0.705 -24.170 -24.189 1.00 25.42 N ATOM 87 CA LEU A 7 -0.712 -23.627 -22.850 1.00 24.38 C ATOM 88 C LEU A 7 -2.028 -24.113 -22.239 1.00 22.98 C ATOM 89 O LEU A 7 -3.012 -24.251 -22.964 1.00 22.96 O ATOM 90 CB LEU A 7 -0.642 -22.095 -22.972 1.00 24.57 C ATOM 91 CG LEU A 7 -1.039 -21.349 -21.695 1.00 23.96 C ATOM 92 CD1 LEU A 7 -0.039 -21.586 -20.556 1.00 23.77 C ATOM 93 CD2 LEU A 7 -1.131 -19.847 -21.981 1.00 24.54 C ATOM 0 H LEU A 7 -1.642 -24.388 -24.527 1.00 25.42 H new ATOM 0 HA LEU A 7 0.124 -23.939 -22.224 1.00 24.38 H new ATOM 0 HB2 LEU A 7 0.373 -21.809 -23.247 1.00 24.57 H new ATOM 0 HB3 LEU A 7 -1.294 -21.775 -23.785 1.00 24.57 H new ATOM 0 HG LEU A 7 -2.008 -21.735 -21.378 1.00 23.96 H new ATOM 0 HD11 LEU A 7 -0.360 -21.038 -19.670 1.00 23.77 H new ATOM 0 HD12 LEU A 7 0.006 -22.651 -20.327 1.00 23.77 H new ATOM 0 HD13 LEU A 7 0.948 -21.238 -20.860 1.00 23.77 H new ATOM 0 HD21 LEU A 7 -1.414 -19.320 -21.070 1.00 24.54 H new ATOM 0 HD22 LEU A 7 -0.163 -19.482 -22.326 1.00 24.54 H new ATOM 0 HD23 LEU A 7 -1.881 -19.669 -22.751 1.00 24.54 H new ATOM 105 N THR A 8 -2.058 -24.383 -20.932 1.00 21.96 N ATOM 106 CA THR A 8 -3.270 -24.708 -20.199 1.00 20.61 C ATOM 107 C THR A 8 -3.006 -24.452 -18.715 1.00 19.59 C ATOM 108 O THR A 8 -1.865 -24.190 -18.333 1.00 20.02 O ATOM 109 CB THR A 8 -3.731 -26.145 -20.494 1.00 20.55 C ATOM 110 OG1 THR A 8 -4.935 -26.408 -19.799 1.00 19.56 O ATOM 111 CG2 THR A 8 -2.681 -27.196 -20.114 1.00 20.90 C ATOM 0 H THR A 8 -1.222 -24.380 -20.348 1.00 21.96 H new ATOM 0 HA THR A 8 -4.096 -24.073 -20.520 1.00 20.61 H new ATOM 0 HB THR A 8 -3.885 -26.218 -21.571 1.00 20.55 H new ATOM 0 HG1 THR A 8 -5.229 -27.323 -19.989 1.00 19.56 H new ATOM 0 HG21 THR A 8 -3.062 -28.191 -20.345 1.00 20.90 H new ATOM 0 HG22 THR A 8 -1.766 -27.018 -20.679 1.00 20.90 H new ATOM 0 HG23 THR A 8 -2.467 -27.128 -19.047 1.00 20.90 H new ATOM 119 N ALA A 9 -4.058 -24.511 -17.898 1.00 18.40 N ATOM 120 CA ALA A 9 -4.043 -24.254 -16.467 1.00 17.38 C ATOM 121 C ALA A 9 -5.440 -24.536 -15.919 1.00 15.96 C ATOM 122 O ALA A 9 -6.418 -24.419 -16.653 1.00 16.09 O ATOM 123 CB ALA A 9 -3.672 -22.790 -16.192 1.00 17.84 C ATOM 0 H ALA A 9 -4.989 -24.752 -18.239 1.00 18.40 H new ATOM 0 HA ALA A 9 -3.304 -24.894 -15.985 1.00 17.38 H new ATOM 0 HB1 ALA A 9 -3.665 -22.612 -15.117 1.00 17.84 H new ATOM 0 HB2 ALA A 9 -2.683 -22.582 -16.601 1.00 17.84 H new ATOM 0 HB3 ALA A 9 -4.404 -22.134 -16.663 1.00 17.84 H new ATOM 129 N PHE A 10 -5.537 -24.870 -14.629 1.00 14.85 N ATOM 130 CA PHE A 10 -6.789 -24.826 -13.889 1.00 13.53 C ATOM 131 C PHE A 10 -6.454 -24.660 -12.408 1.00 12.95 C ATOM 132 O PHE A 10 -5.481 -25.254 -11.936 1.00 13.53 O ATOM 133 CB PHE A 10 -7.651 -26.066 -14.151 1.00 13.23 C ATOM 134 CG PHE A 10 -9.117 -25.813 -13.857 1.00 12.76 C ATOM 135 CD1 PHE A 10 -9.602 -25.893 -12.539 1.00 12.50 C ATOM 136 CD2 PHE A 10 -9.952 -25.316 -14.877 1.00 13.05 C ATOM 137 CE1 PHE A 10 -10.906 -25.464 -12.240 1.00 12.49 C ATOM 138 CE2 PHE A 10 -11.267 -24.917 -14.582 1.00 13.05 C ATOM 139 CZ PHE A 10 -11.741 -24.980 -13.261 1.00 12.76 C ATOM 0 H PHE A 10 -4.741 -25.179 -14.071 1.00 14.85 H new ATOM 0 HA PHE A 10 -7.388 -23.980 -14.225 1.00 13.53 H new ATOM 0 HB2 PHE A 10 -7.538 -26.373 -15.191 1.00 13.23 H new ATOM 0 HB3 PHE A 10 -7.295 -26.891 -13.535 1.00 13.23 H new ATOM 0 HD1 PHE A 10 -8.971 -26.285 -11.755 1.00 12.50 H new ATOM 0 HD2 PHE A 10 -9.581 -25.241 -15.888 1.00 13.05 H new ATOM 0 HE1 PHE A 10 -11.267 -25.506 -11.223 1.00 12.49 H new ATOM 0 HE2 PHE A 10 -11.913 -24.562 -15.371 1.00 13.05 H new ATOM 0 HZ PHE A 10 -12.745 -24.657 -13.031 1.00 12.76 H new ATOM 149 N GLN A 11 -7.217 -23.821 -11.710 1.00 12.08 N ATOM 150 CA GLN A 11 -6.936 -23.320 -10.370 1.00 11.64 C ATOM 151 C GLN A 11 -8.242 -23.309 -9.575 1.00 10.16 C ATOM 152 O GLN A 11 -9.215 -23.929 -10.007 1.00 10.11 O ATOM 153 CB GLN A 11 -6.265 -21.939 -10.491 1.00 12.18 C ATOM 154 CG GLN A 11 -7.002 -20.916 -11.380 1.00 12.61 C ATOM 155 CD GLN A 11 -8.184 -20.275 -10.665 1.00 12.54 C ATOM 156 OE1 GLN A 11 -9.323 -20.707 -10.818 1.00 12.34 O ATOM 157 NE2 GLN A 11 -7.911 -19.251 -9.868 1.00 13.07 N ATOM 0 H GLN A 11 -8.092 -23.455 -12.085 1.00 12.08 H new ATOM 0 HA GLN A 11 -6.240 -23.958 -9.826 1.00 11.64 H new ATOM 0 HB2 GLN A 11 -6.161 -21.517 -9.492 1.00 12.18 H new ATOM 0 HB3 GLN A 11 -5.258 -22.077 -10.885 1.00 12.18 H new ATOM 0 HG2 GLN A 11 -6.304 -20.139 -11.692 1.00 12.61 H new ATOM 0 HG3 GLN A 11 -7.353 -21.411 -12.286 1.00 12.61 H new ATOM 0 HE21 GLN A 11 -6.950 -18.924 -9.769 1.00 13.07 H new ATOM 0 HE22 GLN A 11 -8.662 -18.791 -9.353 1.00 13.07 H new ATOM 166 N THR A 12 -8.292 -22.627 -8.430 1.00 9.31 N ATOM 167 CA THR A 12 -9.520 -22.485 -7.670 1.00 8.10 C ATOM 168 C THR A 12 -9.600 -21.081 -7.065 1.00 7.22 C ATOM 169 O THR A 12 -8.659 -20.302 -7.177 1.00 7.93 O ATOM 170 CB THR A 12 -9.640 -23.653 -6.676 1.00 9.02 C ATOM 171 OG1 THR A 12 -10.749 -23.481 -5.818 1.00 9.10 O ATOM 172 CG2 THR A 12 -8.398 -23.906 -5.821 1.00 9.92 C ATOM 0 H THR A 12 -7.486 -22.163 -8.012 1.00 9.31 H new ATOM 0 HA THR A 12 -10.401 -22.559 -8.307 1.00 8.10 H new ATOM 0 HB THR A 12 -9.769 -24.528 -7.313 1.00 9.02 H new ATOM 0 HG1 THR A 12 -10.803 -24.238 -5.198 1.00 9.10 H new ATOM 0 HG21 THR A 12 -8.581 -24.748 -5.153 1.00 9.92 H new ATOM 0 HG22 THR A 12 -7.551 -24.134 -6.468 1.00 9.92 H new ATOM 0 HG23 THR A 12 -8.175 -23.017 -5.231 1.00 9.92 H new ATOM 180 N GLU A 13 -10.759 -20.739 -6.496 1.00 6.14 N ATOM 181 CA GLU A 13 -11.071 -19.430 -5.927 1.00 5.46 C ATOM 182 C GLU A 13 -12.449 -19.526 -5.249 1.00 6.23 C ATOM 183 O GLU A 13 -13.347 -18.734 -5.526 1.00 6.19 O ATOM 184 CB GLU A 13 -11.013 -18.342 -7.024 1.00 4.21 C ATOM 185 CG GLU A 13 -10.959 -16.892 -6.514 1.00 3.45 C ATOM 186 CD GLU A 13 -9.594 -16.469 -5.971 1.00 4.46 C ATOM 187 OE1 GLU A 13 -8.662 -17.300 -6.012 1.00 5.36 O ATOM 188 OE2 GLU A 13 -9.504 -15.295 -5.547 1.00 5.02 O ATOM 0 H GLU A 13 -11.536 -21.395 -6.417 1.00 6.14 H new ATOM 0 HA GLU A 13 -10.336 -19.140 -5.176 1.00 5.46 H new ATOM 0 HB2 GLU A 13 -10.136 -18.523 -7.646 1.00 4.21 H new ATOM 0 HB3 GLU A 13 -11.887 -18.451 -7.666 1.00 4.21 H new ATOM 0 HG2 GLU A 13 -11.237 -16.222 -7.327 1.00 3.45 H new ATOM 0 HG3 GLU A 13 -11.705 -16.767 -5.729 1.00 3.45 H new ATOM 195 N GLN A 14 -12.646 -20.563 -4.423 1.00 7.44 N ATOM 196 CA GLN A 14 -13.948 -20.902 -3.852 1.00 8.77 C ATOM 197 C GLN A 14 -13.832 -21.205 -2.359 1.00 10.08 C ATOM 198 O GLN A 14 -13.434 -22.301 -1.972 1.00 10.49 O ATOM 199 CB GLN A 14 -14.610 -22.033 -4.659 1.00 9.44 C ATOM 200 CG GLN A 14 -13.908 -23.398 -4.626 1.00 10.46 C ATOM 201 CD GLN A 14 -14.201 -24.221 -5.883 1.00 11.07 C ATOM 202 OE1 GLN A 14 -15.344 -24.551 -6.188 1.00 11.70 O ATOM 203 NE2 GLN A 14 -13.182 -24.532 -6.675 1.00 11.32 N ATOM 0 H GLN A 14 -11.898 -21.192 -4.133 1.00 7.44 H new ATOM 0 HA GLN A 14 -14.609 -20.039 -3.929 1.00 8.77 H new ATOM 0 HB2 GLN A 14 -15.628 -22.164 -4.292 1.00 9.44 H new ATOM 0 HB3 GLN A 14 -14.685 -21.712 -5.698 1.00 9.44 H new ATOM 0 HG2 GLN A 14 -12.832 -23.251 -4.531 1.00 10.46 H new ATOM 0 HG3 GLN A 14 -14.233 -23.952 -3.745 1.00 10.46 H new ATOM 0 HE21 GLN A 14 -12.234 -24.256 -6.418 1.00 11.32 H new ATOM 0 HE22 GLN A 14 -13.347 -25.047 -7.540 1.00 11.32 H new ATOM 212 N ILE A 15 -14.182 -20.223 -1.527 1.00 11.16 N ATOM 213 CA ILE A 15 -14.193 -20.329 -0.076 1.00 12.86 C ATOM 214 C ILE A 15 -15.600 -20.700 0.396 1.00 13.48 C ATOM 215 O ILE A 15 -15.777 -21.696 1.094 1.00 13.96 O ATOM 216 CB ILE A 15 -13.649 -19.035 0.557 1.00 13.91 C ATOM 217 CG1 ILE A 15 -12.213 -18.721 0.088 1.00 13.63 C ATOM 218 CG2 ILE A 15 -13.709 -19.101 2.090 1.00 15.73 C ATOM 219 CD1 ILE A 15 -11.159 -19.782 0.425 1.00 14.75 C ATOM 0 H ILE A 15 -14.474 -19.304 -1.860 1.00 11.16 H new ATOM 0 HA ILE A 15 -13.528 -21.127 0.254 1.00 12.86 H new ATOM 0 HB ILE A 15 -14.292 -18.223 0.219 1.00 13.91 H new ATOM 0 HG12 ILE A 15 -12.226 -18.578 -0.993 1.00 13.63 H new ATOM 0 HG13 ILE A 15 -11.904 -17.774 0.531 1.00 13.63 H new ATOM 0 HG21 ILE A 15 -13.319 -18.174 2.510 1.00 15.73 H new ATOM 0 HG22 ILE A 15 -14.743 -19.236 2.408 1.00 15.73 H new ATOM 0 HG23 ILE A 15 -13.108 -19.940 2.442 1.00 15.73 H new ATOM 0 HD11 ILE A 15 -10.187 -19.461 0.050 1.00 14.75 H new ATOM 0 HD12 ILE A 15 -11.106 -19.912 1.506 1.00 14.75 H new ATOM 0 HD13 ILE A 15 -11.433 -20.728 -0.041 1.00 14.75 H new ATOM 231 N GLN A 16 -16.606 -19.911 0.005 1.00 13.82 N ATOM 232 CA GLN A 16 -18.011 -20.207 0.268 1.00 14.78 C ATOM 233 C GLN A 16 -18.845 -19.479 -0.791 1.00 14.20 C ATOM 234 O GLN A 16 -18.832 -19.891 -1.946 1.00 13.33 O ATOM 235 CB GLN A 16 -18.369 -19.852 1.723 1.00 16.63 C ATOM 236 CG GLN A 16 -19.788 -20.312 2.091 1.00 17.99 C ATOM 237 CD GLN A 16 -20.340 -19.505 3.260 1.00 19.46 C ATOM 238 OE1 GLN A 16 -20.173 -19.876 4.416 1.00 20.63 O ATOM 239 NE2 GLN A 16 -20.997 -18.386 2.968 1.00 19.62 N ATOM 0 H GLN A 16 -16.462 -19.041 -0.508 1.00 13.82 H new ATOM 0 HA GLN A 16 -18.229 -21.272 0.182 1.00 14.78 H new ATOM 0 HB2 GLN A 16 -17.650 -20.317 2.398 1.00 16.63 H new ATOM 0 HB3 GLN A 16 -18.288 -18.774 1.864 1.00 16.63 H new ATOM 0 HG2 GLN A 16 -20.444 -20.203 1.228 1.00 17.99 H new ATOM 0 HG3 GLN A 16 -19.775 -21.371 2.350 1.00 17.99 H new ATOM 0 HE21 GLN A 16 -21.119 -18.105 1.995 1.00 19.62 H new ATOM 0 HE22 GLN A 16 -21.379 -17.809 3.717 1.00 19.62 H new ATOM 248 N ASP A 17 -19.503 -18.366 -0.438 1.00 14.98 N ATOM 249 CA ASP A 17 -20.158 -17.456 -1.378 1.00 15.02 C ATOM 250 C ASP A 17 -19.236 -17.164 -2.566 1.00 13.43 C ATOM 251 O ASP A 17 -19.637 -17.208 -3.726 1.00 12.65 O ATOM 252 CB ASP A 17 -20.496 -16.165 -0.623 1.00 16.96 C ATOM 253 CG ASP A 17 -20.903 -15.055 -1.581 1.00 17.54 C ATOM 254 OD1 ASP A 17 -22.111 -14.986 -1.884 1.00 18.25 O ATOM 255 OD2 ASP A 17 -19.989 -14.301 -1.981 1.00 17.55 O ATOM 0 H ASP A 17 -19.595 -18.070 0.534 1.00 14.98 H new ATOM 0 HA ASP A 17 -21.068 -17.907 -1.773 1.00 15.02 H new ATOM 0 HB2 ASP A 17 -21.305 -16.355 0.082 1.00 16.96 H new ATOM 0 HB3 ASP A 17 -19.633 -15.846 -0.039 1.00 16.96 H new ATOM 260 N SER A 18 -17.965 -16.944 -2.233 1.00 13.21 N ATOM 261 CA SER A 18 -16.851 -16.719 -3.139 1.00 11.93 C ATOM 262 C SER A 18 -16.799 -17.703 -4.326 1.00 9.88 C ATOM 263 O SER A 18 -16.363 -17.326 -5.415 1.00 9.00 O ATOM 264 CB SER A 18 -15.565 -16.637 -2.298 1.00 12.46 C ATOM 265 OG SER A 18 -14.623 -17.656 -2.513 1.00 12.89 O ATOM 0 H SER A 18 -17.672 -16.917 -1.256 1.00 13.21 H new ATOM 0 HA SER A 18 -16.984 -15.768 -3.654 1.00 11.93 H new ATOM 0 HB2 SER A 18 -15.085 -15.678 -2.496 1.00 12.46 H new ATOM 0 HB3 SER A 18 -15.843 -16.643 -1.244 1.00 12.46 H new ATOM 0 HG SER A 18 -13.787 -17.430 -2.055 1.00 12.89 H new ATOM 271 N GLU A 19 -17.302 -18.931 -4.150 1.00 9.57 N ATOM 272 CA GLU A 19 -17.492 -19.906 -5.220 1.00 8.36 C ATOM 273 C GLU A 19 -18.220 -19.276 -6.413 1.00 7.88 C ATOM 274 O GLU A 19 -17.797 -19.433 -7.559 1.00 6.93 O ATOM 275 CB GLU A 19 -18.253 -21.110 -4.641 1.00 9.42 C ATOM 276 CG GLU A 19 -18.262 -22.371 -5.524 1.00 9.78 C ATOM 277 CD GLU A 19 -19.138 -22.264 -6.767 1.00 10.03 C ATOM 278 OE1 GLU A 19 -18.722 -22.863 -7.785 1.00 9.84 O ATOM 279 OE2 GLU A 19 -20.200 -21.618 -6.679 1.00 10.78 O ATOM 0 H GLU A 19 -17.594 -19.278 -3.236 1.00 9.57 H new ATOM 0 HA GLU A 19 -16.528 -20.245 -5.600 1.00 8.36 H new ATOM 0 HB2 GLU A 19 -17.815 -21.366 -3.676 1.00 9.42 H new ATOM 0 HB3 GLU A 19 -19.284 -20.811 -4.454 1.00 9.42 H new ATOM 0 HG2 GLU A 19 -17.240 -22.591 -5.833 1.00 9.78 H new ATOM 0 HG3 GLU A 19 -18.603 -23.216 -4.926 1.00 9.78 H new ATOM 286 N HIS A 20 -19.292 -18.529 -6.141 1.00 9.15 N ATOM 287 CA HIS A 20 -20.007 -17.815 -7.177 1.00 9.63 C ATOM 288 C HIS A 20 -19.117 -16.690 -7.703 1.00 9.43 C ATOM 289 O HIS A 20 -18.586 -16.785 -8.804 1.00 8.93 O ATOM 290 CB HIS A 20 -21.354 -17.303 -6.647 1.00 11.57 C ATOM 291 CG HIS A 20 -22.045 -16.363 -7.603 1.00 12.76 C ATOM 292 ND1 HIS A 20 -22.101 -16.501 -8.971 1.00 13.12 N ATOM 293 CD2 HIS A 20 -22.577 -15.141 -7.286 1.00 13.97 C ATOM 294 CE1 HIS A 20 -22.665 -15.385 -9.465 1.00 14.46 C ATOM 295 NE2 HIS A 20 -22.969 -14.525 -8.478 1.00 15.01 N ATOM 0 H HIS A 20 -19.678 -18.409 -5.205 1.00 9.15 H new ATOM 0 HA HIS A 20 -20.238 -18.483 -8.007 1.00 9.63 H new ATOM 0 HB2 HIS A 20 -22.006 -18.153 -6.447 1.00 11.57 H new ATOM 0 HB3 HIS A 20 -21.194 -16.793 -5.697 1.00 11.57 H new ATOM 0 HD2 HIS A 20 -22.676 -14.728 -6.293 1.00 13.97 H new ATOM 0 HE1 HIS A 20 -22.849 -15.204 -10.514 1.00 14.46 H new ATOM 0 HE2 HIS A 20 -23.400 -13.606 -8.579 1.00 15.01 H new ATOM 303 N SER A 21 -18.984 -15.601 -6.948 1.00 10.39 N ATOM 304 CA SER A 21 -18.410 -14.373 -7.471 1.00 10.94 C ATOM 305 C SER A 21 -16.917 -14.505 -7.778 1.00 9.41 C ATOM 306 O SER A 21 -16.463 -14.104 -8.845 1.00 9.55 O ATOM 307 CB SER A 21 -18.689 -13.247 -6.474 1.00 12.73 C ATOM 308 OG SER A 21 -20.065 -13.247 -6.151 1.00 13.99 O ATOM 0 H SER A 21 -19.268 -15.549 -5.970 1.00 10.39 H new ATOM 0 HA SER A 21 -18.880 -14.143 -8.427 1.00 10.94 H new ATOM 0 HB2 SER A 21 -18.091 -13.385 -5.573 1.00 12.73 H new ATOM 0 HB3 SER A 21 -18.403 -12.286 -6.902 1.00 12.73 H new ATOM 0 HG SER A 21 -20.251 -12.529 -5.511 1.00 13.99 H new ATOM 314 N GLY A 22 -16.137 -15.032 -6.834 1.00 8.38 N ATOM 315 CA GLY A 22 -14.692 -15.094 -6.953 1.00 7.22 C ATOM 316 C GLY A 22 -14.281 -16.027 -8.082 1.00 6.02 C ATOM 317 O GLY A 22 -13.619 -15.616 -9.035 1.00 6.50 O ATOM 0 H GLY A 22 -16.497 -15.427 -5.965 1.00 8.38 H new ATOM 0 HA2 GLY A 22 -14.295 -14.096 -7.138 1.00 7.22 H new ATOM 0 HA3 GLY A 22 -14.260 -15.440 -6.014 1.00 7.22 H new ATOM 321 N LYS A 23 -14.677 -17.293 -7.969 1.00 5.26 N ATOM 322 CA LYS A 23 -14.342 -18.315 -8.931 1.00 5.26 C ATOM 323 C LYS A 23 -15.087 -18.094 -10.246 1.00 6.68 C ATOM 324 O LYS A 23 -14.478 -18.295 -11.296 1.00 7.59 O ATOM 325 CB LYS A 23 -14.571 -19.678 -8.264 1.00 5.37 C ATOM 326 CG LYS A 23 -14.876 -20.808 -9.235 1.00 6.43 C ATOM 327 CD LYS A 23 -15.319 -22.040 -8.447 1.00 7.64 C ATOM 328 CE LYS A 23 -15.801 -23.179 -9.350 1.00 9.15 C ATOM 329 NZ LYS A 23 -16.580 -24.165 -8.575 1.00 10.31 N ATOM 0 H LYS A 23 -15.246 -17.632 -7.193 1.00 5.26 H new ATOM 0 HA LYS A 23 -13.292 -18.272 -9.221 1.00 5.26 H new ATOM 0 HB2 LYS A 23 -13.684 -19.940 -7.687 1.00 5.37 H new ATOM 0 HB3 LYS A 23 -15.396 -19.589 -7.558 1.00 5.37 H new ATOM 0 HG2 LYS A 23 -15.659 -20.505 -9.930 1.00 6.43 H new ATOM 0 HG3 LYS A 23 -13.993 -21.040 -9.831 1.00 6.43 H new ATOM 0 HD2 LYS A 23 -14.488 -22.393 -7.836 1.00 7.64 H new ATOM 0 HD3 LYS A 23 -16.121 -21.760 -7.764 1.00 7.64 H new ATOM 0 HE2 LYS A 23 -16.414 -22.776 -10.156 1.00 9.15 H new ATOM 0 HE3 LYS A 23 -14.945 -23.668 -9.815 1.00 9.15 H new ATOM 0 HZ1 LYS A 23 -16.566 -25.082 -9.066 1.00 10.31 H new ATOM 0 HZ2 LYS A 23 -16.161 -24.272 -7.629 1.00 10.31 H new ATOM 0 HZ3 LYS A 23 -17.563 -23.837 -8.483 1.00 10.31 H new ATOM 343 N MET A 24 -16.378 -17.728 -10.199 1.00 7.49 N ATOM 344 CA MET A 24 -17.238 -17.531 -11.365 1.00 9.25 C ATOM 345 C MET A 24 -16.961 -18.562 -12.447 1.00 9.63 C ATOM 346 O MET A 24 -16.471 -18.246 -13.531 1.00 10.29 O ATOM 347 CB MET A 24 -17.244 -16.066 -11.822 1.00 10.23 C ATOM 348 CG MET A 24 -15.864 -15.465 -12.094 1.00 10.19 C ATOM 349 SD MET A 24 -15.948 -13.771 -12.721 1.00 12.15 S ATOM 350 CE MET A 24 -14.187 -13.452 -12.922 1.00 11.95 C ATOM 0 H MET A 24 -16.862 -17.557 -9.318 1.00 7.49 H new ATOM 0 HA MET A 24 -18.272 -17.722 -11.079 1.00 9.25 H new ATOM 0 HB2 MET A 24 -17.843 -15.987 -12.730 1.00 10.23 H new ATOM 0 HB3 MET A 24 -17.741 -15.466 -11.060 1.00 10.23 H new ATOM 0 HG2 MET A 24 -15.279 -15.478 -11.174 1.00 10.19 H new ATOM 0 HG3 MET A 24 -15.337 -16.089 -12.816 1.00 10.19 H new ATOM 0 HE1 MET A 24 -14.041 -12.436 -13.288 1.00 11.95 H new ATOM 0 HE2 MET A 24 -13.684 -13.568 -11.962 1.00 11.95 H new ATOM 0 HE3 MET A 24 -13.769 -14.159 -13.638 1.00 11.95 H new ATOM 360 N VAL A 25 -17.284 -19.814 -12.103 1.00 9.68 N ATOM 361 CA VAL A 25 -17.053 -21.005 -12.901 1.00 10.36 C ATOM 362 C VAL A 25 -15.547 -21.275 -12.997 1.00 10.65 C ATOM 363 O VAL A 25 -15.077 -22.267 -12.441 1.00 10.89 O ATOM 364 CB VAL A 25 -17.798 -20.912 -14.248 1.00 11.41 C ATOM 365 CG1 VAL A 25 -17.413 -22.055 -15.196 1.00 12.29 C ATOM 366 CG2 VAL A 25 -19.314 -20.949 -14.014 1.00 11.73 C ATOM 0 H VAL A 25 -17.736 -20.025 -11.214 1.00 9.68 H new ATOM 0 HA VAL A 25 -17.478 -21.885 -12.418 1.00 10.36 H new ATOM 0 HB VAL A 25 -17.509 -19.969 -14.712 1.00 11.41 H new ATOM 0 HG11 VAL A 25 -17.961 -21.951 -16.133 1.00 12.29 H new ATOM 0 HG12 VAL A 25 -16.342 -22.017 -15.396 1.00 12.29 H new ATOM 0 HG13 VAL A 25 -17.662 -23.010 -14.734 1.00 12.29 H new ATOM 0 HG21 VAL A 25 -19.832 -20.883 -14.971 1.00 11.73 H new ATOM 0 HG22 VAL A 25 -19.583 -21.882 -13.520 1.00 11.73 H new ATOM 0 HG23 VAL A 25 -19.606 -20.108 -13.385 1.00 11.73 H new ATOM 376 N ALA A 26 -14.790 -20.392 -13.652 1.00 11.11 N ATOM 377 CA ALA A 26 -13.339 -20.449 -13.679 1.00 11.88 C ATOM 378 C ALA A 26 -12.747 -19.095 -14.065 1.00 12.37 C ATOM 379 O ALA A 26 -12.585 -18.784 -15.245 1.00 12.74 O ATOM 380 CB ALA A 26 -12.857 -21.532 -14.642 1.00 12.85 C ATOM 0 H ALA A 26 -15.178 -19.612 -14.182 1.00 11.11 H new ATOM 0 HA ALA A 26 -12.996 -20.700 -12.676 1.00 11.88 H new ATOM 0 HB1 ALA A 26 -11.767 -21.557 -14.646 1.00 12.85 H new ATOM 0 HB2 ALA A 26 -13.241 -22.501 -14.322 1.00 12.85 H new ATOM 0 HB3 ALA A 26 -13.219 -21.313 -15.647 1.00 12.85 H new ATOM 386 N LYS A 27 -12.366 -18.310 -13.060 1.00 12.82 N ATOM 387 CA LYS A 27 -11.561 -17.108 -13.219 1.00 13.78 C ATOM 388 C LYS A 27 -10.169 -17.497 -13.745 1.00 14.21 C ATOM 389 O LYS A 27 -9.182 -17.524 -13.015 1.00 14.39 O ATOM 390 CB LYS A 27 -11.564 -16.306 -11.900 1.00 14.05 C ATOM 391 CG LYS A 27 -10.601 -15.109 -11.732 1.00 14.99 C ATOM 392 CD LYS A 27 -10.579 -13.995 -12.804 1.00 16.36 C ATOM 393 CE LYS A 27 -9.918 -14.476 -14.097 1.00 16.90 C ATOM 394 NZ LYS A 27 -9.373 -13.419 -14.965 1.00 18.41 N ATOM 0 H LYS A 27 -12.616 -18.500 -12.090 1.00 12.82 H new ATOM 0 HA LYS A 27 -11.982 -16.436 -13.967 1.00 13.78 H new ATOM 0 HB2 LYS A 27 -12.577 -15.934 -11.747 1.00 14.05 H new ATOM 0 HB3 LYS A 27 -11.357 -17.007 -11.092 1.00 14.05 H new ATOM 0 HG2 LYS A 27 -10.829 -14.638 -10.776 1.00 14.99 H new ATOM 0 HG3 LYS A 27 -9.590 -15.510 -11.657 1.00 14.99 H new ATOM 0 HD2 LYS A 27 -11.598 -13.670 -13.014 1.00 16.36 H new ATOM 0 HD3 LYS A 27 -10.041 -13.129 -12.419 1.00 16.36 H new ATOM 0 HE2 LYS A 27 -9.110 -15.161 -13.838 1.00 16.90 H new ATOM 0 HE3 LYS A 27 -10.650 -15.048 -14.667 1.00 16.90 H new ATOM 0 HZ1 LYS A 27 -8.919 -13.851 -15.795 1.00 18.41 H new ATOM 0 HZ2 LYS A 27 -10.144 -12.795 -15.278 1.00 18.41 H new ATOM 0 HZ3 LYS A 27 -8.671 -12.863 -14.436 1.00 18.41 H new ATOM 408 N ARG A 28 -10.086 -17.732 -15.057 1.00 14.75 N ATOM 409 CA ARG A 28 -8.841 -17.897 -15.797 1.00 15.65 C ATOM 410 C ARG A 28 -7.976 -16.638 -15.654 1.00 16.43 C ATOM 411 O ARG A 28 -8.309 -15.588 -16.214 1.00 17.29 O ATOM 412 CB ARG A 28 -9.152 -18.162 -17.278 1.00 16.49 C ATOM 413 CG ARG A 28 -9.854 -19.512 -17.493 1.00 16.23 C ATOM 414 CD ARG A 28 -10.318 -19.676 -18.947 1.00 17.15 C ATOM 415 NE ARG A 28 -9.183 -19.695 -19.885 1.00 18.10 N ATOM 416 CZ ARG A 28 -9.294 -19.705 -21.225 1.00 19.16 C ATOM 417 NH1 ARG A 28 -10.505 -19.705 -21.793 1.00 19.40 N ATOM 418 NH2 ARG A 28 -8.195 -19.715 -21.988 1.00 20.15 N ATOM 0 H ARG A 28 -10.913 -17.815 -15.649 1.00 14.75 H new ATOM 0 HA ARG A 28 -8.291 -18.747 -15.392 1.00 15.65 H new ATOM 0 HB2 ARG A 28 -9.783 -17.361 -17.664 1.00 16.49 H new ATOM 0 HB3 ARG A 28 -8.225 -18.141 -17.851 1.00 16.49 H new ATOM 0 HG2 ARG A 28 -9.174 -20.323 -17.233 1.00 16.23 H new ATOM 0 HG3 ARG A 28 -10.712 -19.588 -16.825 1.00 16.23 H new ATOM 0 HD2 ARG A 28 -10.886 -20.601 -19.045 1.00 17.15 H new ATOM 0 HD3 ARG A 28 -10.991 -18.860 -19.208 1.00 17.15 H new ATOM 0 HE ARG A 28 -8.243 -19.701 -19.489 1.00 18.10 H new ATOM 0 HH11 ARG A 28 -11.342 -19.697 -21.210 1.00 19.40 H new ATOM 0 HH12 ARG A 28 -10.592 -19.713 -22.809 1.00 19.40 H new ATOM 0 HH21 ARG A 28 -7.272 -19.715 -21.553 1.00 20.15 H new ATOM 0 HH22 ARG A 28 -8.280 -19.723 -23.004 1.00 20.15 H new ATOM 432 N GLN A 29 -6.891 -16.732 -14.880 1.00 16.37 N ATOM 433 CA GLN A 29 -5.886 -15.685 -14.722 1.00 17.33 C ATOM 434 C GLN A 29 -4.539 -16.283 -15.136 1.00 17.72 C ATOM 435 O GLN A 29 -4.076 -16.070 -16.252 1.00 18.85 O ATOM 436 CB GLN A 29 -5.915 -15.171 -13.266 1.00 17.29 C ATOM 437 CG GLN A 29 -5.130 -13.865 -13.074 1.00 18.49 C ATOM 438 CD GLN A 29 -5.839 -12.655 -13.674 1.00 19.49 C ATOM 439 OE1 GLN A 29 -7.008 -12.726 -14.045 1.00 19.26 O ATOM 440 NE2 GLN A 29 -5.160 -11.523 -13.775 1.00 20.82 N ATOM 0 H GLN A 29 -6.684 -17.566 -14.330 1.00 16.37 H new ATOM 0 HA GLN A 29 -6.079 -14.818 -15.353 1.00 17.33 H new ATOM 0 HB2 GLN A 29 -6.950 -15.014 -12.963 1.00 17.29 H new ATOM 0 HB3 GLN A 29 -5.503 -15.936 -12.608 1.00 17.29 H new ATOM 0 HG2 GLN A 29 -4.970 -13.696 -12.009 1.00 18.49 H new ATOM 0 HG3 GLN A 29 -4.146 -13.967 -13.531 1.00 18.49 H new ATOM 0 HE21 GLN A 29 -4.190 -11.480 -13.462 1.00 20.82 H new ATOM 0 HE22 GLN A 29 -5.607 -10.693 -14.165 1.00 20.82 H new ATOM 449 N PHE A 30 -3.973 -17.104 -14.251 1.00 16.95 N ATOM 450 CA PHE A 30 -2.864 -18.017 -14.476 1.00 17.26 C ATOM 451 C PHE A 30 -3.247 -19.260 -13.672 1.00 15.91 C ATOM 452 O PHE A 30 -4.356 -19.299 -13.133 1.00 15.22 O ATOM 453 CB PHE A 30 -1.558 -17.407 -13.946 1.00 17.81 C ATOM 454 CG PHE A 30 -1.277 -15.988 -14.402 1.00 19.38 C ATOM 455 CD1 PHE A 30 -1.019 -15.721 -15.759 1.00 20.82 C ATOM 456 CD2 PHE A 30 -1.283 -14.933 -13.471 1.00 19.63 C ATOM 457 CE1 PHE A 30 -0.772 -14.403 -16.183 1.00 22.39 C ATOM 458 CE2 PHE A 30 -1.011 -13.620 -13.892 1.00 21.31 C ATOM 459 CZ PHE A 30 -0.760 -13.354 -15.249 1.00 22.64 C ATOM 0 H PHE A 30 -4.306 -17.147 -13.288 1.00 16.95 H new ATOM 0 HA PHE A 30 -2.697 -18.235 -15.531 1.00 17.26 H new ATOM 0 HB2 PHE A 30 -1.584 -17.423 -12.856 1.00 17.81 H new ATOM 0 HB3 PHE A 30 -0.728 -18.042 -14.254 1.00 17.81 H new ATOM 0 HD1 PHE A 30 -1.011 -16.529 -16.476 1.00 20.82 H new ATOM 0 HD2 PHE A 30 -1.497 -15.133 -12.431 1.00 19.63 H new ATOM 0 HE1 PHE A 30 -0.591 -14.197 -17.228 1.00 22.39 H new ATOM 0 HE2 PHE A 30 -0.995 -12.815 -13.172 1.00 21.31 H new ATOM 0 HZ PHE A 30 -0.558 -12.344 -15.573 1.00 22.64 H new ATOM 469 N ARG A 31 -2.346 -20.230 -13.481 1.00 15.74 N ATOM 470 CA ARG A 31 -2.604 -21.278 -12.498 1.00 14.69 C ATOM 471 C ARG A 31 -2.322 -20.749 -11.085 1.00 13.69 C ATOM 472 O ARG A 31 -1.480 -21.290 -10.376 1.00 13.60 O ATOM 473 CB ARG A 31 -1.827 -22.566 -12.824 1.00 15.43 C ATOM 474 CG ARG A 31 -2.582 -23.723 -12.161 1.00 14.95 C ATOM 475 CD ARG A 31 -1.961 -25.104 -12.372 1.00 16.08 C ATOM 476 NE ARG A 31 -2.917 -26.115 -11.898 1.00 15.79 N ATOM 477 CZ ARG A 31 -2.686 -27.418 -11.689 1.00 16.58 C ATOM 478 NH1 ARG A 31 -1.477 -27.932 -11.939 1.00 17.66 N ATOM 479 NH2 ARG A 31 -3.679 -28.190 -11.236 1.00 16.57 N ATOM 0 H ARG A 31 -1.459 -20.309 -13.979 1.00 15.74 H new ATOM 0 HA ARG A 31 -3.658 -21.553 -12.541 1.00 14.69 H new ATOM 0 HB2 ARG A 31 -1.762 -22.715 -13.902 1.00 15.43 H new ATOM 0 HB3 ARG A 31 -0.806 -22.506 -12.448 1.00 15.43 H new ATOM 0 HG2 ARG A 31 -2.646 -23.529 -11.090 1.00 14.95 H new ATOM 0 HG3 ARG A 31 -3.603 -23.738 -12.543 1.00 14.95 H new ATOM 0 HD2 ARG A 31 -1.733 -25.261 -13.426 1.00 16.08 H new ATOM 0 HD3 ARG A 31 -1.021 -25.185 -11.827 1.00 16.08 H new ATOM 0 HE ARG A 31 -3.864 -25.787 -11.706 1.00 15.79 H new ATOM 0 HH11 ARG A 31 -0.730 -27.332 -12.289 1.00 17.66 H new ATOM 0 HH12 ARG A 31 -1.302 -28.924 -11.780 1.00 17.66 H new ATOM 0 HH21 ARG A 31 -4.597 -27.785 -11.054 1.00 16.57 H new ATOM 0 HH22 ARG A 31 -3.518 -29.184 -11.072 1.00 16.57 H new ATOM 493 N ILE A 32 -3.017 -19.676 -10.701 1.00 13.23 N ATOM 494 CA ILE A 32 -2.926 -19.021 -9.405 1.00 12.47 C ATOM 495 C ILE A 32 -4.341 -18.546 -9.062 1.00 11.46 C ATOM 496 O ILE A 32 -5.195 -18.435 -9.945 1.00 12.03 O ATOM 497 CB ILE A 32 -1.918 -17.847 -9.445 1.00 13.69 C ATOM 498 CG1 ILE A 32 -0.501 -18.238 -9.912 1.00 15.13 C ATOM 499 CG2 ILE A 32 -1.803 -17.146 -8.079 1.00 13.20 C ATOM 500 CD1 ILE A 32 0.284 -19.078 -8.897 1.00 15.35 C ATOM 0 H ILE A 32 -3.690 -19.222 -11.319 1.00 13.23 H new ATOM 0 HA ILE A 32 -2.556 -19.704 -8.640 1.00 12.47 H new ATOM 0 HB ILE A 32 -2.335 -17.168 -10.189 1.00 13.69 H new ATOM 0 HG12 ILE A 32 -0.579 -18.795 -10.846 1.00 15.13 H new ATOM 0 HG13 ILE A 32 0.062 -17.330 -10.129 1.00 15.13 H new ATOM 0 HG21 ILE A 32 -1.086 -16.328 -8.149 1.00 13.20 H new ATOM 0 HG22 ILE A 32 -2.777 -16.751 -7.790 1.00 13.20 H new ATOM 0 HG23 ILE A 32 -1.465 -17.862 -7.330 1.00 13.20 H new ATOM 0 HD11 ILE A 32 1.269 -19.311 -9.302 1.00 15.35 H new ATOM 0 HD12 ILE A 32 0.396 -18.517 -7.969 1.00 15.35 H new ATOM 0 HD13 ILE A 32 -0.254 -20.005 -8.698 1.00 15.35 H new ATOM 512 N GLY A 33 -4.577 -18.292 -7.781 1.00 10.37 N ATOM 513 CA GLY A 33 -5.846 -17.956 -7.167 1.00 9.66 C ATOM 514 C GLY A 33 -5.744 -18.601 -5.796 1.00 8.08 C ATOM 515 O GLY A 33 -4.696 -18.459 -5.160 1.00 8.40 O ATOM 0 H GLY A 33 -3.823 -18.319 -7.094 1.00 10.37 H new ATOM 0 HA2 GLY A 33 -5.987 -16.877 -7.096 1.00 9.66 H new ATOM 0 HA3 GLY A 33 -6.687 -18.351 -7.737 1.00 9.66 H new ATOM 519 N ASP A 34 -6.739 -19.401 -5.417 1.00 6.84 N ATOM 520 CA ASP A 34 -6.669 -20.469 -4.426 1.00 5.93 C ATOM 521 C ASP A 34 -6.664 -19.920 -2.997 1.00 5.04 C ATOM 522 O ASP A 34 -7.501 -20.306 -2.184 1.00 5.06 O ATOM 523 CB ASP A 34 -5.488 -21.435 -4.682 1.00 6.82 C ATOM 524 CG ASP A 34 -5.572 -22.277 -5.959 1.00 7.41 C ATOM 525 OD1 ASP A 34 -5.072 -23.420 -5.902 1.00 7.91 O ATOM 526 OD2 ASP A 34 -6.127 -21.804 -6.976 1.00 7.91 O ATOM 0 H ASP A 34 -7.672 -19.314 -5.819 1.00 6.84 H new ATOM 0 HA ASP A 34 -7.578 -21.059 -4.538 1.00 5.93 H new ATOM 0 HB2 ASP A 34 -4.568 -20.851 -4.716 1.00 6.82 H new ATOM 0 HB3 ASP A 34 -5.406 -22.110 -3.830 1.00 6.82 H new ATOM 531 N ILE A 35 -5.712 -19.039 -2.692 1.00 5.17 N ATOM 532 CA ILE A 35 -5.556 -18.349 -1.420 1.00 5.32 C ATOM 533 C ILE A 35 -6.868 -17.651 -1.046 1.00 4.14 C ATOM 534 O ILE A 35 -7.501 -18.009 -0.055 1.00 4.52 O ATOM 535 CB ILE A 35 -4.378 -17.354 -1.537 1.00 6.79 C ATOM 536 CG1 ILE A 35 -3.051 -18.119 -1.696 1.00 8.31 C ATOM 537 CG2 ILE A 35 -4.314 -16.405 -0.328 1.00 7.73 C ATOM 538 CD1 ILE A 35 -1.906 -17.224 -2.185 1.00 9.72 C ATOM 0 H ILE A 35 -4.992 -18.776 -3.365 1.00 5.17 H new ATOM 0 HA ILE A 35 -5.328 -19.056 -0.622 1.00 5.32 H new ATOM 0 HB ILE A 35 -4.544 -16.742 -2.424 1.00 6.79 H new ATOM 0 HG12 ILE A 35 -2.776 -18.563 -0.740 1.00 8.31 H new ATOM 0 HG13 ILE A 35 -3.191 -18.939 -2.400 1.00 8.31 H new ATOM 0 HG21 ILE A 35 -3.474 -15.721 -0.446 1.00 7.73 H new ATOM 0 HG22 ILE A 35 -5.240 -15.834 -0.264 1.00 7.73 H new ATOM 0 HG23 ILE A 35 -4.183 -16.987 0.584 1.00 7.73 H new ATOM 0 HD11 ILE A 35 -0.996 -17.816 -2.279 1.00 9.72 H new ATOM 0 HD12 ILE A 35 -2.165 -16.800 -3.155 1.00 9.72 H new ATOM 0 HD13 ILE A 35 -1.743 -16.419 -1.469 1.00 9.72 H new ATOM 550 N ALA A 36 -7.224 -16.630 -1.827 1.00 3.46 N ATOM 551 CA ALA A 36 -8.305 -15.681 -1.613 1.00 3.09 C ATOM 552 C ALA A 36 -8.041 -14.513 -2.562 1.00 2.57 C ATOM 553 O ALA A 36 -6.942 -14.412 -3.112 1.00 3.24 O ATOM 554 CB ALA A 36 -8.338 -15.169 -0.166 1.00 4.53 C ATOM 0 H ALA A 36 -6.721 -16.434 -2.692 1.00 3.46 H new ATOM 0 HA ALA A 36 -9.266 -16.160 -1.800 1.00 3.09 H new ATOM 0 HB1 ALA A 36 -9.160 -14.463 -0.049 1.00 4.53 H new ATOM 0 HB2 ALA A 36 -8.481 -16.009 0.514 1.00 4.53 H new ATOM 0 HB3 ALA A 36 -7.396 -14.671 0.065 1.00 4.53 H new ATOM 560 N GLY A 37 -9.017 -13.621 -2.719 1.00 2.44 N ATOM 561 CA GLY A 37 -8.902 -12.464 -3.598 1.00 2.00 C ATOM 562 C GLY A 37 -10.286 -12.119 -4.125 1.00 1.81 C ATOM 563 O GLY A 37 -10.769 -10.990 -3.987 1.00 2.31 O ATOM 0 H GLY A 37 -9.914 -13.683 -2.237 1.00 2.44 H new ATOM 0 HA2 GLY A 37 -8.481 -11.617 -3.056 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -8.225 -12.682 -4.424 1.00 2.00 H new ATOM 567 N GLU A 38 -10.903 -13.136 -4.720 1.00 1.64 N ATOM 568 CA GLU A 38 -12.317 -13.276 -5.009 1.00 1.57 C ATOM 569 C GLU A 38 -12.981 -11.982 -5.458 1.00 1.26 C ATOM 570 O GLU A 38 -13.027 -11.703 -6.648 1.00 1.18 O ATOM 571 CB GLU A 38 -13.038 -13.885 -3.803 1.00 1.93 C ATOM 572 CG GLU A 38 -12.421 -15.237 -3.411 1.00 2.55 C ATOM 573 CD GLU A 38 -12.173 -15.306 -1.917 1.00 3.81 C ATOM 574 OE1 GLU A 38 -11.303 -14.527 -1.464 1.00 5.04 O ATOM 575 OE2 GLU A 38 -12.880 -16.109 -1.271 1.00 4.13 O ATOM 0 H GLU A 38 -10.376 -13.950 -5.037 1.00 1.64 H new ATOM 0 HA GLU A 38 -12.401 -13.952 -5.860 1.00 1.57 H new ATOM 0 HB2 GLU A 38 -12.983 -13.198 -2.958 1.00 1.93 H new ATOM 0 HB3 GLU A 38 -14.094 -14.018 -4.037 1.00 1.93 H new ATOM 0 HG2 GLU A 38 -13.087 -16.046 -3.711 1.00 2.55 H new ATOM 0 HG3 GLU A 38 -11.483 -15.382 -3.946 1.00 2.55 H new ATOM 582 N HIS A 39 -13.524 -11.201 -4.521 1.00 1.26 N ATOM 583 CA HIS A 39 -14.429 -10.105 -4.807 1.00 1.27 C ATOM 584 C HIS A 39 -13.725 -9.003 -5.595 1.00 1.15 C ATOM 585 O HIS A 39 -14.391 -8.219 -6.262 1.00 1.44 O ATOM 586 CB HIS A 39 -15.042 -9.594 -3.500 1.00 1.61 C ATOM 587 CG HIS A 39 -15.629 -10.702 -2.659 1.00 2.44 C ATOM 588 ND1 HIS A 39 -16.828 -11.349 -2.870 1.00 3.07 N ATOM 589 CD2 HIS A 39 -14.994 -11.340 -1.626 1.00 3.83 C ATOM 590 CE1 HIS A 39 -16.917 -12.340 -1.965 1.00 3.92 C ATOM 591 NE2 HIS A 39 -15.824 -12.370 -1.184 1.00 4.51 N ATOM 0 H HIS A 39 -13.338 -11.322 -3.525 1.00 1.26 H new ATOM 0 HA HIS A 39 -15.241 -10.460 -5.441 1.00 1.27 H new ATOM 0 HB2 HIS A 39 -14.277 -9.073 -2.924 1.00 1.61 H new ATOM 0 HB3 HIS A 39 -15.820 -8.866 -3.729 1.00 1.61 H new ATOM 0 HD1 HIS A 39 -17.521 -11.118 -3.582 1.00 3.07 H new ATOM 0 HD2 HIS A 39 -14.023 -11.090 -1.225 1.00 3.83 H new ATOM 0 HE1 HIS A 39 -17.753 -13.019 -1.878 1.00 3.92 H new ATOM 599 N THR A 40 -12.388 -8.961 -5.545 1.00 1.04 N ATOM 600 CA THR A 40 -11.619 -8.160 -6.480 1.00 1.22 C ATOM 601 C THR A 40 -11.716 -8.799 -7.874 1.00 1.19 C ATOM 602 O THR A 40 -12.495 -8.372 -8.723 1.00 1.87 O ATOM 603 CB THR A 40 -10.163 -8.042 -5.992 1.00 1.50 C ATOM 604 OG1 THR A 40 -9.573 -9.309 -5.767 1.00 2.18 O ATOM 605 CG2 THR A 40 -10.070 -7.244 -4.694 1.00 2.56 C ATOM 0 H THR A 40 -11.826 -9.474 -4.866 1.00 1.04 H new ATOM 0 HA THR A 40 -12.019 -7.148 -6.541 1.00 1.22 H new ATOM 0 HB THR A 40 -9.626 -7.526 -6.788 1.00 1.50 H new ATOM 0 HG1 THR A 40 -10.015 -9.745 -5.009 1.00 2.18 H new ATOM 0 HG21 THR A 40 -9.028 -7.181 -4.379 1.00 2.56 H new ATOM 0 HG22 THR A 40 -10.462 -6.240 -4.856 1.00 2.56 H new ATOM 0 HG23 THR A 40 -10.654 -7.741 -3.919 1.00 2.56 H new ATOM 613 N SER A 41 -10.905 -9.839 -8.077 1.00 0.87 N ATOM 614 CA SER A 41 -10.686 -10.583 -9.310 1.00 0.84 C ATOM 615 C SER A 41 -11.988 -10.815 -10.094 1.00 1.04 C ATOM 616 O SER A 41 -12.051 -10.576 -11.299 1.00 1.34 O ATOM 617 CB SER A 41 -9.976 -11.893 -8.937 1.00 1.08 C ATOM 618 OG SER A 41 -9.416 -12.527 -10.068 1.00 1.92 O ATOM 0 H SER A 41 -10.338 -10.211 -7.315 1.00 0.87 H new ATOM 0 HA SER A 41 -10.059 -10.005 -9.989 1.00 0.84 H new ATOM 0 HB2 SER A 41 -9.190 -11.686 -8.210 1.00 1.08 H new ATOM 0 HB3 SER A 41 -10.685 -12.567 -8.457 1.00 1.08 H new ATOM 0 HG SER A 41 -8.971 -13.356 -9.792 1.00 1.92 H new ATOM 624 N PHE A 42 -13.022 -11.244 -9.368 1.00 1.11 N ATOM 625 CA PHE A 42 -14.426 -11.333 -9.744 1.00 1.38 C ATOM 626 C PHE A 42 -14.851 -10.286 -10.770 1.00 1.60 C ATOM 627 O PHE A 42 -15.259 -10.642 -11.871 1.00 2.02 O ATOM 628 CB PHE A 42 -15.249 -11.146 -8.461 1.00 1.51 C ATOM 629 CG PHE A 42 -16.719 -10.796 -8.595 1.00 1.64 C ATOM 630 CD1 PHE A 42 -17.529 -11.402 -9.574 1.00 2.42 C ATOM 631 CD2 PHE A 42 -17.278 -9.846 -7.720 1.00 2.32 C ATOM 632 CE1 PHE A 42 -18.890 -11.071 -9.663 1.00 2.61 C ATOM 633 CE2 PHE A 42 -18.649 -9.553 -7.778 1.00 2.48 C ATOM 634 CZ PHE A 42 -19.458 -10.163 -8.752 1.00 2.11 C ATOM 0 H PHE A 42 -12.879 -11.568 -8.411 1.00 1.11 H new ATOM 0 HA PHE A 42 -14.593 -12.302 -10.214 1.00 1.38 H new ATOM 0 HB2 PHE A 42 -15.178 -12.067 -7.883 1.00 1.51 H new ATOM 0 HB3 PHE A 42 -14.773 -10.362 -7.872 1.00 1.51 H new ATOM 0 HD1 PHE A 42 -17.103 -12.122 -10.257 1.00 2.42 H new ATOM 0 HD2 PHE A 42 -16.650 -9.341 -7.001 1.00 2.32 H new ATOM 0 HE1 PHE A 42 -19.503 -11.515 -10.434 1.00 2.61 H new ATOM 0 HE2 PHE A 42 -19.083 -8.858 -7.074 1.00 2.48 H new ATOM 0 HZ PHE A 42 -20.513 -9.935 -8.801 1.00 2.11 H new ATOM 644 N ASP A 43 -14.863 -9.017 -10.353 1.00 1.60 N ATOM 645 CA ASP A 43 -15.741 -8.023 -10.951 1.00 2.16 C ATOM 646 C ASP A 43 -15.365 -7.806 -12.418 1.00 2.16 C ATOM 647 O ASP A 43 -16.066 -8.270 -13.316 1.00 3.15 O ATOM 648 CB ASP A 43 -15.741 -6.759 -10.074 1.00 2.48 C ATOM 649 CG ASP A 43 -16.052 -5.492 -10.851 1.00 2.85 C ATOM 650 OD1 ASP A 43 -17.246 -5.255 -11.121 1.00 3.74 O ATOM 651 OD2 ASP A 43 -15.068 -4.807 -11.207 1.00 3.02 O ATOM 0 H ASP A 43 -14.272 -8.659 -9.603 1.00 1.60 H new ATOM 0 HA ASP A 43 -16.776 -8.364 -10.978 1.00 2.16 H new ATOM 0 HB2 ASP A 43 -16.475 -6.878 -9.277 1.00 2.48 H new ATOM 0 HB3 ASP A 43 -14.766 -6.655 -9.597 1.00 2.48 H new ATOM 656 N LYS A 44 -14.253 -7.110 -12.656 1.00 1.45 N ATOM 657 CA LYS A 44 -13.693 -6.842 -13.979 1.00 1.45 C ATOM 658 C LYS A 44 -12.427 -5.986 -13.848 1.00 1.77 C ATOM 659 O LYS A 44 -12.234 -5.026 -14.590 1.00 2.22 O ATOM 660 CB LYS A 44 -14.734 -6.221 -14.938 1.00 1.78 C ATOM 661 CG LYS A 44 -15.577 -5.114 -14.286 1.00 2.30 C ATOM 662 CD LYS A 44 -16.634 -4.527 -15.226 1.00 2.61 C ATOM 663 CE LYS A 44 -16.014 -3.760 -16.399 1.00 3.37 C ATOM 664 NZ LYS A 44 -17.052 -3.129 -17.237 1.00 4.53 N ATOM 0 H LYS A 44 -13.697 -6.703 -11.904 1.00 1.45 H new ATOM 0 HA LYS A 44 -13.410 -7.792 -14.432 1.00 1.45 H new ATOM 0 HB2 LYS A 44 -14.219 -5.811 -15.807 1.00 1.78 H new ATOM 0 HB3 LYS A 44 -15.397 -7.006 -15.302 1.00 1.78 H new ATOM 0 HG2 LYS A 44 -16.070 -5.516 -13.401 1.00 2.30 H new ATOM 0 HG3 LYS A 44 -14.917 -4.315 -13.948 1.00 2.30 H new ATOM 0 HD2 LYS A 44 -17.259 -5.332 -15.612 1.00 2.61 H new ATOM 0 HD3 LYS A 44 -17.286 -3.859 -14.663 1.00 2.61 H new ATOM 0 HE2 LYS A 44 -15.337 -2.995 -16.019 1.00 3.37 H new ATOM 0 HE3 LYS A 44 -15.418 -4.441 -17.006 1.00 3.37 H new ATOM 0 HZ1 LYS A 44 -16.601 -2.618 -18.022 1.00 4.53 H new ATOM 0 HZ2 LYS A 44 -17.683 -3.862 -17.619 1.00 4.53 H new ATOM 0 HZ3 LYS A 44 -17.605 -2.462 -16.662 1.00 4.53 H new ATOM 678 N LEU A 45 -11.556 -6.351 -12.901 1.00 1.83 N ATOM 679 CA LEU A 45 -10.336 -5.613 -12.586 1.00 2.46 C ATOM 680 C LEU A 45 -9.031 -6.286 -13.040 1.00 2.87 C ATOM 681 O LEU A 45 -8.108 -5.564 -13.414 1.00 4.70 O ATOM 682 CB LEU A 45 -10.267 -5.309 -11.082 1.00 2.58 C ATOM 683 CG LEU A 45 -11.507 -4.532 -10.601 1.00 2.70 C ATOM 684 CD1 LEU A 45 -12.359 -5.427 -9.705 1.00 2.92 C ATOM 685 CD2 LEU A 45 -11.127 -3.292 -9.795 1.00 3.62 C ATOM 0 H LEU A 45 -11.685 -7.182 -12.324 1.00 1.83 H new ATOM 0 HA LEU A 45 -10.408 -4.692 -13.164 1.00 2.46 H new ATOM 0 HB2 LEU A 45 -10.184 -6.242 -10.525 1.00 2.58 H new ATOM 0 HB3 LEU A 45 -9.369 -4.729 -10.869 1.00 2.58 H new ATOM 0 HG LEU A 45 -12.056 -4.223 -11.490 1.00 2.70 H new ATOM 0 HD11 LEU A 45 -13.235 -4.874 -9.366 1.00 2.92 H new ATOM 0 HD12 LEU A 45 -12.678 -6.305 -10.266 1.00 2.92 H new ATOM 0 HD13 LEU A 45 -11.773 -5.741 -8.842 1.00 2.92 H new ATOM 0 HD21 LEU A 45 -12.032 -2.774 -9.476 1.00 3.62 H new ATOM 0 HD22 LEU A 45 -10.551 -3.590 -8.919 1.00 3.62 H new ATOM 0 HD23 LEU A 45 -10.527 -2.625 -10.414 1.00 3.62 H new ATOM 697 N PRO A 46 -8.858 -7.619 -12.941 1.00 2.17 N ATOM 698 CA PRO A 46 -7.523 -8.191 -12.881 1.00 2.80 C ATOM 699 C PRO A 46 -6.906 -8.361 -14.268 1.00 2.90 C ATOM 700 O PRO A 46 -6.821 -9.472 -14.789 1.00 2.75 O ATOM 701 CB PRO A 46 -7.685 -9.509 -12.124 1.00 3.74 C ATOM 702 CG PRO A 46 -9.045 -9.964 -12.619 1.00 4.10 C ATOM 703 CD PRO A 46 -9.838 -8.654 -12.643 1.00 3.18 C ATOM 0 HA PRO A 46 -6.821 -7.535 -12.367 1.00 2.80 H new ATOM 0 HB2 PRO A 46 -6.898 -10.223 -12.367 1.00 3.74 H new ATOM 0 HB3 PRO A 46 -7.666 -9.369 -11.043 1.00 3.74 H new ATOM 0 HG2 PRO A 46 -8.986 -10.422 -13.606 1.00 4.10 H new ATOM 0 HG3 PRO A 46 -9.495 -10.700 -11.953 1.00 4.10 H new ATOM 0 HD2 PRO A 46 -10.623 -8.683 -13.399 1.00 3.18 H new ATOM 0 HD3 PRO A 46 -10.325 -8.471 -11.685 1.00 3.18 H new ATOM 711 N GLU A 47 -6.424 -7.254 -14.832 1.00 4.88 N ATOM 712 CA GLU A 47 -5.773 -7.186 -16.135 1.00 6.22 C ATOM 713 C GLU A 47 -4.679 -8.246 -16.358 1.00 5.03 C ATOM 714 O GLU A 47 -4.387 -8.555 -17.510 1.00 6.23 O ATOM 715 CB GLU A 47 -5.264 -5.757 -16.407 1.00 8.55 C ATOM 716 CG GLU A 47 -4.511 -5.131 -15.221 1.00 8.95 C ATOM 717 CD GLU A 47 -3.902 -3.762 -15.523 1.00 11.38 C ATOM 718 OE1 GLU A 47 -3.453 -3.118 -14.545 1.00 12.50 O ATOM 719 OE2 GLU A 47 -3.900 -3.381 -16.712 1.00 12.31 O ATOM 0 H GLU A 47 -6.480 -6.345 -14.373 1.00 4.88 H new ATOM 0 HA GLU A 47 -6.538 -7.433 -16.871 1.00 6.22 H new ATOM 0 HB2 GLU A 47 -4.605 -5.775 -17.275 1.00 8.55 H new ATOM 0 HB3 GLU A 47 -6.112 -5.122 -16.663 1.00 8.55 H new ATOM 0 HG2 GLU A 47 -5.197 -5.034 -14.379 1.00 8.95 H new ATOM 0 HG3 GLU A 47 -3.717 -5.810 -14.909 1.00 8.95 H new ATOM 726 N GLY A 48 -4.076 -8.824 -15.306 1.00 3.05 N ATOM 727 CA GLY A 48 -3.095 -9.878 -15.497 1.00 2.38 C ATOM 728 C GLY A 48 -2.180 -10.012 -14.295 1.00 1.54 C ATOM 729 O GLY A 48 -2.479 -10.774 -13.376 1.00 1.96 O ATOM 0 H GLY A 48 -4.254 -8.577 -14.333 1.00 3.05 H new ATOM 0 HA2 GLY A 48 -3.606 -10.824 -15.673 1.00 2.38 H new ATOM 0 HA3 GLY A 48 -2.501 -9.666 -16.386 1.00 2.38 H new ATOM 733 N GLY A 49 -1.067 -9.275 -14.326 1.00 1.80 N ATOM 734 CA GLY A 49 -0.019 -9.322 -13.322 1.00 1.38 C ATOM 735 C GLY A 49 0.018 -8.009 -12.549 1.00 1.54 C ATOM 736 O GLY A 49 -0.873 -7.743 -11.747 1.00 3.04 O ATOM 0 H GLY A 49 -0.871 -8.612 -15.076 1.00 1.80 H new ATOM 0 HA2 GLY A 49 -0.196 -10.152 -12.638 1.00 1.38 H new ATOM 0 HA3 GLY A 49 0.945 -9.501 -13.798 1.00 1.38 H new ATOM 740 N ARG A 50 1.061 -7.207 -12.767 1.00 0.75 N ATOM 741 CA ARG A 50 1.381 -6.072 -11.914 1.00 0.73 C ATOM 742 C ARG A 50 0.502 -4.864 -12.241 1.00 0.93 C ATOM 743 O ARG A 50 0.585 -4.325 -13.343 1.00 1.59 O ATOM 744 CB ARG A 50 2.866 -5.740 -12.086 1.00 1.03 C ATOM 745 CG ARG A 50 3.344 -4.859 -10.928 1.00 2.56 C ATOM 746 CD ARG A 50 4.873 -4.719 -10.900 1.00 3.22 C ATOM 747 NE ARG A 50 5.554 -6.028 -10.875 1.00 3.55 N ATOM 748 CZ ARG A 50 5.203 -7.030 -10.052 1.00 4.35 C ATOM 749 NH1 ARG A 50 4.763 -6.765 -8.822 1.00 5.43 N ATOM 750 NH2 ARG A 50 5.241 -8.288 -10.495 1.00 4.75 N ATOM 0 H ARG A 50 1.708 -7.331 -13.546 1.00 0.75 H new ATOM 0 HA ARG A 50 1.181 -6.331 -10.874 1.00 0.73 H new ATOM 0 HB2 ARG A 50 3.451 -6.659 -12.120 1.00 1.03 H new ATOM 0 HB3 ARG A 50 3.025 -5.226 -13.034 1.00 1.03 H new ATOM 0 HG2 ARG A 50 2.892 -3.871 -11.014 1.00 2.56 H new ATOM 0 HG3 ARG A 50 3.002 -5.285 -9.985 1.00 2.56 H new ATOM 0 HD2 ARG A 50 5.201 -4.158 -11.775 1.00 3.22 H new ATOM 0 HD3 ARG A 50 5.167 -4.142 -10.023 1.00 3.22 H new ATOM 0 HE ARG A 50 6.332 -6.180 -11.517 1.00 3.55 H new ATOM 0 HH11 ARG A 50 4.692 -5.799 -8.503 1.00 5.43 H new ATOM 0 HH12 ARG A 50 4.497 -7.528 -8.200 1.00 5.43 H new ATOM 0 HH21 ARG A 50 5.535 -8.483 -11.452 1.00 4.75 H new ATOM 0 HH22 ARG A 50 4.976 -9.055 -9.877 1.00 4.75 H new ATOM 764 N ALA A 51 -0.308 -4.413 -11.278 1.00 0.80 N ATOM 765 CA ALA A 51 -1.244 -3.325 -11.526 1.00 0.81 C ATOM 766 C ALA A 51 -0.572 -1.957 -11.514 1.00 0.72 C ATOM 767 O ALA A 51 0.434 -1.731 -10.841 1.00 1.23 O ATOM 768 CB ALA A 51 -2.341 -3.300 -10.464 1.00 1.19 C ATOM 0 H ALA A 51 -0.331 -4.785 -10.328 1.00 0.80 H new ATOM 0 HA ALA A 51 -1.658 -3.514 -12.516 1.00 0.81 H new ATOM 0 HB1 ALA A 51 -3.028 -2.479 -10.670 1.00 1.19 H new ATOM 0 HB2 ALA A 51 -2.887 -4.243 -10.482 1.00 1.19 H new ATOM 0 HB3 ALA A 51 -1.892 -3.159 -9.481 1.00 1.19 H new ATOM 774 N THR A 52 -1.203 -1.014 -12.204 1.00 0.72 N ATOM 775 CA THR A 52 -0.739 0.353 -12.365 1.00 0.77 C ATOM 776 C THR A 52 -1.049 1.198 -11.112 1.00 0.92 C ATOM 777 O THR A 52 -1.774 2.185 -11.176 1.00 1.31 O ATOM 778 CB THR A 52 -1.374 0.899 -13.664 1.00 0.98 C ATOM 779 OG1 THR A 52 -0.960 2.231 -13.914 1.00 1.38 O ATOM 780 CG2 THR A 52 -2.911 0.760 -13.690 1.00 1.03 C ATOM 0 H THR A 52 -2.086 -1.191 -12.684 1.00 0.72 H new ATOM 0 HA THR A 52 0.346 0.400 -12.461 1.00 0.77 H new ATOM 0 HB THR A 52 -1.006 0.274 -14.478 1.00 0.98 H new ATOM 0 HG1 THR A 52 -1.153 2.786 -13.130 1.00 1.38 H new ATOM 0 HG21 THR A 52 -3.297 1.161 -14.627 1.00 1.03 H new ATOM 0 HG22 THR A 52 -3.183 -0.292 -13.606 1.00 1.03 H new ATOM 0 HG23 THR A 52 -3.341 1.313 -12.855 1.00 1.03 H new ATOM 788 N TYR A 53 -0.493 0.840 -9.950 1.00 1.12 N ATOM 789 CA TYR A 53 -0.742 1.570 -8.699 1.00 1.50 C ATOM 790 C TYR A 53 0.081 2.863 -8.622 1.00 1.34 C ATOM 791 O TYR A 53 1.046 2.980 -7.869 1.00 1.81 O ATOM 792 CB TYR A 53 -0.471 0.666 -7.485 1.00 1.89 C ATOM 793 CG TYR A 53 -1.620 -0.200 -7.014 1.00 1.60 C ATOM 794 CD1 TYR A 53 -1.683 -0.529 -5.651 1.00 2.65 C ATOM 795 CD2 TYR A 53 -2.602 -0.689 -7.898 1.00 2.19 C ATOM 796 CE1 TYR A 53 -2.731 -1.319 -5.160 1.00 2.81 C ATOM 797 CE2 TYR A 53 -3.621 -1.530 -7.419 1.00 2.60 C ATOM 798 CZ TYR A 53 -3.682 -1.845 -6.050 1.00 2.33 C ATOM 799 OH TYR A 53 -4.546 -2.801 -5.609 1.00 2.98 O ATOM 0 H TYR A 53 0.137 0.044 -9.848 1.00 1.12 H new ATOM 0 HA TYR A 53 -1.793 1.858 -8.685 1.00 1.50 H new ATOM 0 HB2 TYR A 53 0.369 0.015 -7.726 1.00 1.89 H new ATOM 0 HB3 TYR A 53 -0.157 1.297 -6.654 1.00 1.89 H new ATOM 0 HD1 TYR A 53 -0.919 -0.171 -4.977 1.00 2.65 H new ATOM 0 HD2 TYR A 53 -2.572 -0.418 -8.943 1.00 2.19 H new ATOM 0 HE1 TYR A 53 -2.807 -1.523 -4.102 1.00 2.81 H new ATOM 0 HE2 TYR A 53 -4.355 -1.933 -8.101 1.00 2.60 H new ATOM 0 HH TYR A 53 -4.804 -3.379 -6.357 1.00 2.98 H new ATOM 809 N ARG A 54 -0.309 3.861 -9.404 1.00 1.06 N ATOM 810 CA ARG A 54 0.361 5.148 -9.449 1.00 1.01 C ATOM 811 C ARG A 54 -0.108 5.966 -8.249 1.00 0.84 C ATOM 812 O ARG A 54 -1.073 6.718 -8.345 1.00 0.97 O ATOM 813 CB ARG A 54 0.011 5.817 -10.781 1.00 1.47 C ATOM 814 CG ARG A 54 0.529 4.986 -11.967 1.00 1.68 C ATOM 815 CD ARG A 54 1.949 5.370 -12.382 1.00 1.70 C ATOM 816 NE ARG A 54 2.378 4.544 -13.523 1.00 2.76 N ATOM 817 CZ ARG A 54 3.486 4.751 -14.253 1.00 3.57 C ATOM 818 NH1 ARG A 54 4.316 5.751 -13.933 1.00 3.49 N ATOM 819 NH2 ARG A 54 3.754 3.960 -15.298 1.00 4.95 N ATOM 0 H ARG A 54 -1.110 3.796 -10.032 1.00 1.06 H new ATOM 0 HA ARG A 54 1.445 5.054 -9.392 1.00 1.01 H new ATOM 0 HB2 ARG A 54 -1.070 5.936 -10.860 1.00 1.47 H new ATOM 0 HB3 ARG A 54 0.445 6.816 -10.815 1.00 1.47 H new ATOM 0 HG2 ARG A 54 0.506 3.929 -11.702 1.00 1.68 H new ATOM 0 HG3 ARG A 54 -0.141 5.116 -12.817 1.00 1.68 H new ATOM 0 HD2 ARG A 54 1.986 6.425 -12.652 1.00 1.70 H new ATOM 0 HD3 ARG A 54 2.632 5.231 -11.544 1.00 1.70 H new ATOM 0 HE ARG A 54 1.787 3.753 -13.779 1.00 2.76 H new ATOM 0 HH11 ARG A 54 4.106 6.353 -13.137 1.00 3.49 H new ATOM 0 HH12 ARG A 54 5.158 5.911 -14.485 1.00 3.49 H new ATOM 0 HH21 ARG A 54 3.117 3.201 -15.539 1.00 4.95 H new ATOM 0 HH22 ARG A 54 4.595 4.116 -15.853 1.00 4.95 H new ATOM 833 N GLY A 55 0.557 5.805 -7.101 1.00 0.77 N ATOM 834 CA GLY A 55 0.154 6.498 -5.889 1.00 0.65 C ATOM 835 C GLY A 55 1.284 6.740 -4.903 1.00 0.78 C ATOM 836 O GLY A 55 2.418 6.304 -5.103 1.00 1.08 O ATOM 0 H GLY A 55 1.372 5.202 -6.993 1.00 0.77 H new ATOM 0 HA2 GLY A 55 -0.286 7.457 -6.162 1.00 0.65 H new ATOM 0 HA3 GLY A 55 -0.626 5.918 -5.395 1.00 0.65 H new ATOM 840 N THR A 56 0.941 7.448 -3.826 1.00 0.75 N ATOM 841 CA THR A 56 1.864 7.966 -2.838 1.00 0.98 C ATOM 842 C THR A 56 1.298 7.717 -1.446 1.00 0.79 C ATOM 843 O THR A 56 0.108 7.920 -1.197 1.00 0.71 O ATOM 844 CB THR A 56 2.128 9.459 -3.093 1.00 1.29 C ATOM 845 OG1 THR A 56 2.449 9.653 -4.457 1.00 2.85 O ATOM 846 CG2 THR A 56 3.295 9.985 -2.249 1.00 2.61 C ATOM 0 H THR A 56 -0.030 7.681 -3.618 1.00 0.75 H new ATOM 0 HA THR A 56 2.822 7.451 -2.913 1.00 0.98 H new ATOM 0 HB THR A 56 1.224 10.003 -2.818 1.00 1.29 H new ATOM 0 HG1 THR A 56 2.616 10.605 -4.622 1.00 2.85 H new ATOM 0 HG21 THR A 56 3.448 11.043 -2.459 1.00 2.61 H new ATOM 0 HG22 THR A 56 3.067 9.855 -1.191 1.00 2.61 H new ATOM 0 HG23 THR A 56 4.201 9.431 -2.496 1.00 2.61 H new ATOM 854 N ALA A 57 2.177 7.272 -0.552 1.00 0.91 N ATOM 855 CA ALA A 57 1.920 7.128 0.861 1.00 0.81 C ATOM 856 C ALA A 57 2.533 8.355 1.527 1.00 0.81 C ATOM 857 O ALA A 57 3.612 8.266 2.105 1.00 1.06 O ATOM 858 CB ALA A 57 2.567 5.822 1.317 1.00 0.87 C ATOM 0 H ALA A 57 3.123 6.993 -0.812 1.00 0.91 H new ATOM 0 HA ALA A 57 0.862 7.076 1.118 1.00 0.81 H new ATOM 0 HB1 ALA A 57 2.391 5.682 2.384 1.00 0.87 H new ATOM 0 HB2 ALA A 57 2.132 4.989 0.765 1.00 0.87 H new ATOM 0 HB3 ALA A 57 3.640 5.862 1.128 1.00 0.87 H new ATOM 864 N PHE A 58 1.873 9.507 1.390 1.00 0.76 N ATOM 865 CA PHE A 58 2.406 10.794 1.836 1.00 0.87 C ATOM 866 C PHE A 58 2.162 10.952 3.329 1.00 0.75 C ATOM 867 O PHE A 58 1.093 10.618 3.831 1.00 0.69 O ATOM 868 CB PHE A 58 1.839 11.955 1.008 1.00 1.10 C ATOM 869 CG PHE A 58 0.364 12.244 1.206 1.00 1.15 C ATOM 870 CD1 PHE A 58 -0.040 13.166 2.190 1.00 1.77 C ATOM 871 CD2 PHE A 58 -0.604 11.611 0.403 1.00 2.57 C ATOM 872 CE1 PHE A 58 -1.403 13.442 2.383 1.00 1.94 C ATOM 873 CE2 PHE A 58 -1.968 11.890 0.596 1.00 2.64 C ATOM 874 CZ PHE A 58 -2.369 12.808 1.581 1.00 1.54 C ATOM 0 H PHE A 58 0.949 9.572 0.964 1.00 0.76 H new ATOM 0 HA PHE A 58 3.483 10.817 1.671 1.00 0.87 H new ATOM 0 HB2 PHE A 58 2.403 12.857 1.247 1.00 1.10 H new ATOM 0 HB3 PHE A 58 2.010 11.742 -0.047 1.00 1.10 H new ATOM 0 HD1 PHE A 58 0.701 13.663 2.799 1.00 1.77 H new ATOM 0 HD2 PHE A 58 -0.299 10.911 -0.361 1.00 2.57 H new ATOM 0 HE1 PHE A 58 -1.710 14.141 3.147 1.00 1.94 H new ATOM 0 HE2 PHE A 58 -2.710 11.397 -0.015 1.00 2.64 H new ATOM 0 HZ PHE A 58 -3.417 13.027 1.722 1.00 1.54 H new ATOM 884 N GLY A 59 3.159 11.440 4.060 1.00 0.79 N ATOM 885 CA GLY A 59 3.043 11.590 5.496 1.00 0.78 C ATOM 886 C GLY A 59 2.205 12.826 5.799 1.00 1.03 C ATOM 887 O GLY A 59 2.127 13.729 4.971 1.00 1.22 O ATOM 0 H GLY A 59 4.056 11.737 3.675 1.00 0.79 H new ATOM 0 HA2 GLY A 59 2.579 10.705 5.931 1.00 0.78 H new ATOM 0 HA3 GLY A 59 4.031 11.686 5.946 1.00 0.78 H new ATOM 891 N SER A 60 1.658 12.935 7.010 1.00 1.18 N ATOM 892 CA SER A 60 1.230 14.231 7.531 1.00 1.48 C ATOM 893 C SER A 60 2.374 15.254 7.392 1.00 1.52 C ATOM 894 O SER A 60 2.151 16.404 7.026 1.00 1.97 O ATOM 895 CB SER A 60 0.763 14.062 8.983 1.00 1.65 C ATOM 896 OG SER A 60 0.159 15.248 9.459 1.00 2.36 O ATOM 0 H SER A 60 1.502 12.150 7.642 1.00 1.18 H new ATOM 0 HA SER A 60 0.388 14.615 6.956 1.00 1.48 H new ATOM 0 HB2 SER A 60 0.054 13.237 9.048 1.00 1.65 H new ATOM 0 HB3 SER A 60 1.613 13.803 9.615 1.00 1.65 H new ATOM 0 HG SER A 60 -0.133 15.118 10.385 1.00 2.36 H new ATOM 902 N ASP A 61 3.615 14.802 7.626 1.00 1.21 N ATOM 903 CA ASP A 61 4.833 15.594 7.453 1.00 1.37 C ATOM 904 C ASP A 61 5.235 15.767 5.973 1.00 1.34 C ATOM 905 O ASP A 61 6.191 16.474 5.666 1.00 1.41 O ATOM 906 CB ASP A 61 5.947 14.878 8.232 1.00 1.51 C ATOM 907 CG ASP A 61 7.250 15.669 8.275 1.00 1.89 C ATOM 908 OD1 ASP A 61 8.261 15.133 7.771 1.00 2.95 O ATOM 909 OD2 ASP A 61 7.220 16.770 8.864 1.00 2.08 O ATOM 0 H ASP A 61 3.799 13.852 7.948 1.00 1.21 H new ATOM 0 HA ASP A 61 4.661 16.602 7.829 1.00 1.37 H new ATOM 0 HB2 ASP A 61 5.608 14.692 9.251 1.00 1.51 H new ATOM 0 HB3 ASP A 61 6.134 13.906 7.776 1.00 1.51 H new ATOM 914 N ASP A 62 4.559 15.067 5.052 1.00 1.28 N ATOM 915 CA ASP A 62 5.034 14.734 3.719 1.00 1.32 C ATOM 916 C ASP A 62 6.506 14.333 3.708 1.00 1.33 C ATOM 917 O ASP A 62 7.333 14.794 2.923 1.00 1.51 O ATOM 918 CB ASP A 62 4.638 15.754 2.649 1.00 1.47 C ATOM 919 CG ASP A 62 4.827 15.162 1.254 1.00 2.17 C ATOM 920 OD1 ASP A 62 4.771 13.914 1.150 1.00 2.68 O ATOM 921 OD2 ASP A 62 4.994 15.965 0.312 1.00 3.12 O ATOM 0 H ASP A 62 3.623 14.704 5.233 1.00 1.28 H new ATOM 0 HA ASP A 62 4.495 13.835 3.420 1.00 1.32 H new ATOM 0 HB2 ASP A 62 3.598 16.051 2.787 1.00 1.47 H new ATOM 0 HB3 ASP A 62 5.243 16.654 2.754 1.00 1.47 H new ATOM 926 N ALA A 63 6.804 13.381 4.589 1.00 1.21 N ATOM 927 CA ALA A 63 7.987 12.552 4.521 1.00 1.18 C ATOM 928 C ALA A 63 7.500 11.138 4.244 1.00 1.00 C ATOM 929 O ALA A 63 7.801 10.207 4.986 1.00 0.97 O ATOM 930 CB ALA A 63 8.702 12.658 5.863 1.00 1.23 C ATOM 0 H ALA A 63 6.208 13.166 5.388 1.00 1.21 H new ATOM 0 HA ALA A 63 8.687 12.852 3.741 1.00 1.18 H new ATOM 0 HB1 ALA A 63 9.602 12.043 5.846 1.00 1.23 H new ATOM 0 HB2 ALA A 63 8.976 13.697 6.048 1.00 1.23 H new ATOM 0 HB3 ALA A 63 8.040 12.311 6.656 1.00 1.23 H new ATOM 936 N GLY A 64 6.749 10.993 3.154 1.00 1.01 N ATOM 937 CA GLY A 64 6.103 9.753 2.778 1.00 0.93 C ATOM 938 C GLY A 64 6.292 9.497 1.285 1.00 0.97 C ATOM 939 O GLY A 64 5.937 10.321 0.446 1.00 1.91 O ATOM 0 H GLY A 64 6.574 11.755 2.499 1.00 1.01 H new ATOM 0 HA2 GLY A 64 6.521 8.927 3.353 1.00 0.93 H new ATOM 0 HA3 GLY A 64 5.040 9.801 3.015 1.00 0.93 H new ATOM 943 N GLY A 65 6.916 8.366 0.970 1.00 1.04 N ATOM 944 CA GLY A 65 7.314 7.949 -0.355 1.00 1.01 C ATOM 945 C GLY A 65 6.163 7.374 -1.173 1.00 0.86 C ATOM 946 O GLY A 65 4.998 7.342 -0.777 1.00 1.18 O ATOM 0 H GLY A 65 7.169 7.680 1.682 1.00 1.04 H new ATOM 0 HA2 GLY A 65 7.738 8.802 -0.885 1.00 1.01 H new ATOM 0 HA3 GLY A 65 8.102 7.201 -0.272 1.00 1.01 H new ATOM 950 N LYS A 66 6.530 6.962 -2.380 1.00 0.82 N ATOM 951 CA LYS A 66 5.630 6.523 -3.424 1.00 0.89 C ATOM 952 C LYS A 66 5.187 5.102 -3.088 1.00 0.84 C ATOM 953 O LYS A 66 6.026 4.294 -2.699 1.00 1.07 O ATOM 954 CB LYS A 66 6.408 6.493 -4.740 1.00 1.27 C ATOM 955 CG LYS A 66 7.222 7.764 -5.017 1.00 1.57 C ATOM 956 CD LYS A 66 8.497 7.398 -5.799 1.00 2.22 C ATOM 957 CE LYS A 66 9.518 6.657 -4.907 1.00 2.71 C ATOM 958 NZ LYS A 66 9.702 5.216 -5.194 1.00 4.24 N ATOM 0 H LYS A 66 7.509 6.925 -2.665 1.00 0.82 H new ATOM 0 HA LYS A 66 4.769 7.186 -3.507 1.00 0.89 H new ATOM 0 HB2 LYS A 66 7.083 5.637 -4.731 1.00 1.27 H new ATOM 0 HB3 LYS A 66 5.707 6.338 -5.560 1.00 1.27 H new ATOM 0 HG2 LYS A 66 6.624 8.474 -5.588 1.00 1.57 H new ATOM 0 HG3 LYS A 66 7.486 8.251 -4.078 1.00 1.57 H new ATOM 0 HD2 LYS A 66 8.235 6.771 -6.651 1.00 2.22 H new ATOM 0 HD3 LYS A 66 8.952 8.304 -6.199 1.00 2.22 H new ATOM 0 HE2 LYS A 66 10.484 7.153 -5.004 1.00 2.71 H new ATOM 0 HE3 LYS A 66 9.208 6.764 -3.867 1.00 2.71 H new ATOM 0 HZ1 LYS A 66 10.466 4.838 -4.598 1.00 4.24 H new ATOM 0 HZ2 LYS A 66 8.819 4.706 -4.990 1.00 4.24 H new ATOM 0 HZ3 LYS A 66 9.951 5.091 -6.196 1.00 4.24 H new ATOM 972 N LEU A 67 3.917 4.756 -3.288 1.00 0.86 N ATOM 973 CA LEU A 67 3.511 3.361 -3.208 1.00 0.95 C ATOM 974 C LEU A 67 3.930 2.733 -4.533 1.00 1.11 C ATOM 975 O LEU A 67 3.113 2.581 -5.440 1.00 1.73 O ATOM 976 CB LEU A 67 1.995 3.263 -2.966 1.00 0.96 C ATOM 977 CG LEU A 67 1.520 1.801 -2.870 1.00 1.01 C ATOM 978 CD1 LEU A 67 1.839 1.173 -1.510 1.00 1.06 C ATOM 979 CD2 LEU A 67 0.015 1.731 -3.125 1.00 1.06 C ATOM 0 H LEU A 67 3.166 5.412 -3.503 1.00 0.86 H new ATOM 0 HA LEU A 67 3.980 2.836 -2.376 1.00 0.95 H new ATOM 0 HB2 LEU A 67 1.740 3.788 -2.046 1.00 0.96 H new ATOM 0 HB3 LEU A 67 1.465 3.764 -3.776 1.00 0.96 H new ATOM 0 HG LEU A 67 2.059 1.233 -3.628 1.00 1.01 H new ATOM 0 HD11 LEU A 67 1.484 0.143 -1.493 1.00 1.06 H new ATOM 0 HD12 LEU A 67 2.916 1.189 -1.346 1.00 1.06 H new ATOM 0 HD13 LEU A 67 1.344 1.740 -0.722 1.00 1.06 H new ATOM 0 HD21 LEU A 67 -0.318 0.695 -3.056 1.00 1.06 H new ATOM 0 HD22 LEU A 67 -0.508 2.331 -2.380 1.00 1.06 H new ATOM 0 HD23 LEU A 67 -0.204 2.117 -4.121 1.00 1.06 H new ATOM 991 N THR A 68 5.218 2.416 -4.689 1.00 0.91 N ATOM 992 CA THR A 68 5.723 2.175 -6.032 1.00 1.01 C ATOM 993 C THR A 68 5.270 0.796 -6.504 1.00 1.36 C ATOM 994 O THR A 68 5.406 -0.184 -5.776 1.00 1.92 O ATOM 995 CB THR A 68 7.247 2.385 -6.127 1.00 1.37 C ATOM 996 OG1 THR A 68 7.746 3.305 -5.161 1.00 2.52 O ATOM 997 CG2 THR A 68 7.546 2.940 -7.526 1.00 1.62 C ATOM 0 H THR A 68 5.900 2.324 -3.936 1.00 0.91 H new ATOM 0 HA THR A 68 5.299 2.915 -6.711 1.00 1.01 H new ATOM 0 HB THR A 68 7.734 1.428 -5.938 1.00 1.37 H new ATOM 0 HG1 THR A 68 7.787 2.869 -4.284 1.00 2.52 H new ATOM 0 HG21 THR A 68 8.619 3.102 -7.631 1.00 1.62 H new ATOM 0 HG22 THR A 68 7.211 2.227 -8.279 1.00 1.62 H new ATOM 0 HG23 THR A 68 7.021 3.885 -7.662 1.00 1.62 H new ATOM 1005 N TYR A 69 4.661 0.728 -7.693 1.00 1.16 N ATOM 1006 CA TYR A 69 3.490 -0.114 -7.847 1.00 1.18 C ATOM 1007 C TYR A 69 3.835 -1.599 -7.884 1.00 1.04 C ATOM 1008 O TYR A 69 4.687 -2.051 -8.646 1.00 1.07 O ATOM 1009 CB TYR A 69 2.720 0.281 -9.115 1.00 1.12 C ATOM 1010 CG TYR A 69 3.523 0.401 -10.398 1.00 0.99 C ATOM 1011 CD1 TYR A 69 4.130 1.624 -10.743 1.00 2.30 C ATOM 1012 CD2 TYR A 69 3.594 -0.686 -11.289 1.00 1.74 C ATOM 1013 CE1 TYR A 69 4.881 1.730 -11.928 1.00 2.35 C ATOM 1014 CE2 TYR A 69 4.316 -0.570 -12.490 1.00 1.71 C ATOM 1015 CZ TYR A 69 4.982 0.627 -12.793 1.00 1.06 C ATOM 1016 OH TYR A 69 5.711 0.723 -13.942 1.00 1.26 O ATOM 0 H TYR A 69 4.953 1.231 -8.531 1.00 1.16 H new ATOM 0 HA TYR A 69 2.863 0.046 -6.970 1.00 1.18 H new ATOM 0 HB2 TYR A 69 1.932 -0.454 -9.276 1.00 1.12 H new ATOM 0 HB3 TYR A 69 2.231 1.237 -8.930 1.00 1.12 H new ATOM 0 HD1 TYR A 69 4.019 2.482 -10.097 1.00 2.30 H new ATOM 0 HD2 TYR A 69 3.092 -1.612 -11.050 1.00 1.74 H new ATOM 0 HE1 TYR A 69 5.379 2.657 -12.172 1.00 2.35 H new ATOM 0 HE2 TYR A 69 4.358 -1.401 -13.178 1.00 1.71 H new ATOM 0 HH TYR A 69 5.677 -0.130 -14.423 1.00 1.26 H new ATOM 1026 N THR A 70 3.143 -2.360 -7.037 1.00 0.89 N ATOM 1027 CA THR A 70 3.121 -3.806 -7.068 1.00 0.70 C ATOM 1028 C THR A 70 1.851 -4.295 -6.400 1.00 0.78 C ATOM 1029 O THR A 70 1.774 -4.344 -5.177 1.00 0.85 O ATOM 1030 CB THR A 70 4.387 -4.379 -6.418 1.00 0.82 C ATOM 1031 OG1 THR A 70 5.370 -4.418 -7.439 1.00 1.40 O ATOM 1032 CG2 THR A 70 4.243 -5.809 -5.872 1.00 1.20 C ATOM 0 H THR A 70 2.568 -1.967 -6.292 1.00 0.89 H new ATOM 0 HA THR A 70 3.118 -4.159 -8.099 1.00 0.70 H new ATOM 0 HB THR A 70 4.631 -3.747 -5.564 1.00 0.82 H new ATOM 0 HG1 THR A 70 5.318 -3.599 -7.975 1.00 1.40 H new ATOM 0 HG21 THR A 70 5.188 -6.127 -5.432 1.00 1.20 H new ATOM 0 HG22 THR A 70 3.463 -5.831 -5.111 1.00 1.20 H new ATOM 0 HG23 THR A 70 3.976 -6.484 -6.685 1.00 1.20 H new ATOM 1040 N ILE A 71 0.878 -4.700 -7.214 1.00 0.85 N ATOM 1041 CA ILE A 71 -0.002 -5.787 -6.837 1.00 0.76 C ATOM 1042 C ILE A 71 -0.018 -6.722 -8.023 1.00 0.82 C ATOM 1043 O ILE A 71 -0.252 -6.262 -9.136 1.00 1.09 O ATOM 1044 CB ILE A 71 -1.406 -5.323 -6.426 1.00 0.78 C ATOM 1045 CG1 ILE A 71 -2.475 -5.233 -7.519 1.00 0.93 C ATOM 1046 CG2 ILE A 71 -1.375 -3.914 -5.829 1.00 1.04 C ATOM 1047 CD1 ILE A 71 -2.989 -6.545 -8.108 1.00 1.55 C ATOM 0 H ILE A 71 0.686 -4.292 -8.129 1.00 0.85 H new ATOM 0 HA ILE A 71 0.364 -6.287 -5.940 1.00 0.76 H new ATOM 0 HB ILE A 71 -1.684 -6.117 -5.733 1.00 0.78 H new ATOM 0 HG12 ILE A 71 -3.328 -4.689 -7.112 1.00 0.93 H new ATOM 0 HG13 ILE A 71 -2.073 -4.632 -8.335 1.00 0.93 H new ATOM 0 HG21 ILE A 71 -2.385 -3.615 -5.548 1.00 1.04 H new ATOM 0 HG22 ILE A 71 -0.736 -3.907 -4.946 1.00 1.04 H new ATOM 0 HG23 ILE A 71 -0.982 -3.215 -6.567 1.00 1.04 H new ATOM 0 HD11 ILE A 71 -3.740 -6.333 -8.869 1.00 1.55 H new ATOM 0 HD12 ILE A 71 -2.160 -7.091 -8.559 1.00 1.55 H new ATOM 0 HD13 ILE A 71 -3.434 -7.149 -7.317 1.00 1.55 H new ATOM 1059 N ASP A 72 0.246 -8.002 -7.786 1.00 0.79 N ATOM 1060 CA ASP A 72 0.162 -9.028 -8.802 1.00 0.96 C ATOM 1061 C ASP A 72 -1.265 -9.580 -8.747 1.00 0.93 C ATOM 1062 O ASP A 72 -1.602 -10.300 -7.803 1.00 1.13 O ATOM 1063 CB ASP A 72 1.252 -10.078 -8.541 1.00 1.30 C ATOM 1064 CG ASP A 72 2.648 -9.501 -8.776 1.00 2.96 C ATOM 1065 OD1 ASP A 72 3.086 -8.637 -7.982 1.00 4.38 O ATOM 1066 OD2 ASP A 72 3.282 -9.880 -9.782 1.00 3.65 O ATOM 0 H ASP A 72 0.527 -8.354 -6.871 1.00 0.79 H new ATOM 0 HA ASP A 72 0.344 -8.656 -9.810 1.00 0.96 H new ATOM 0 HB2 ASP A 72 1.174 -10.439 -7.516 1.00 1.30 H new ATOM 0 HB3 ASP A 72 1.097 -10.937 -9.194 1.00 1.30 H new ATOM 1071 N PHE A 73 -2.121 -9.205 -9.712 1.00 0.93 N ATOM 1072 CA PHE A 73 -3.552 -9.536 -9.739 1.00 0.94 C ATOM 1073 C PHE A 73 -3.823 -11.025 -9.600 1.00 1.23 C ATOM 1074 O PHE A 73 -4.934 -11.404 -9.242 1.00 1.44 O ATOM 1075 CB PHE A 73 -4.245 -9.029 -11.013 1.00 0.90 C ATOM 1076 CG PHE A 73 -4.539 -7.549 -11.030 1.00 0.96 C ATOM 1077 CD1 PHE A 73 -5.552 -7.023 -10.203 1.00 2.55 C ATOM 1078 CD2 PHE A 73 -3.879 -6.714 -11.946 1.00 1.57 C ATOM 1079 CE1 PHE A 73 -5.934 -5.676 -10.329 1.00 3.17 C ATOM 1080 CE2 PHE A 73 -4.225 -5.359 -12.027 1.00 1.54 C ATOM 1081 CZ PHE A 73 -5.282 -4.847 -11.256 1.00 2.07 C ATOM 0 H PHE A 73 -1.827 -8.649 -10.515 1.00 0.93 H new ATOM 0 HA PHE A 73 -3.968 -9.024 -8.871 1.00 0.94 H new ATOM 0 HB2 PHE A 73 -3.617 -9.270 -11.871 1.00 0.90 H new ATOM 0 HB3 PHE A 73 -5.181 -9.572 -11.141 1.00 0.90 H new ATOM 0 HD1 PHE A 73 -6.035 -7.655 -9.472 1.00 2.55 H new ATOM 0 HD2 PHE A 73 -3.107 -7.115 -12.586 1.00 1.57 H new ATOM 0 HE1 PHE A 73 -6.728 -5.279 -9.714 1.00 3.17 H new ATOM 0 HE2 PHE A 73 -3.676 -4.704 -12.687 1.00 1.54 H new ATOM 0 HZ PHE A 73 -5.592 -3.819 -11.376 1.00 2.07 H new ATOM 1091 N ALA A 74 -2.817 -11.855 -9.878 1.00 1.46 N ATOM 1092 CA ALA A 74 -2.849 -13.276 -9.610 1.00 1.86 C ATOM 1093 C ALA A 74 -3.480 -13.581 -8.239 1.00 1.76 C ATOM 1094 O ALA A 74 -4.316 -14.475 -8.146 1.00 2.01 O ATOM 1095 CB ALA A 74 -1.425 -13.825 -9.713 1.00 2.16 C ATOM 0 H ALA A 74 -1.944 -11.543 -10.304 1.00 1.46 H new ATOM 0 HA ALA A 74 -3.479 -13.770 -10.350 1.00 1.86 H new ATOM 0 HB1 ALA A 74 -1.433 -14.897 -9.513 1.00 2.16 H new ATOM 0 HB2 ALA A 74 -1.038 -13.646 -10.716 1.00 2.16 H new ATOM 0 HB3 ALA A 74 -0.788 -13.325 -8.983 1.00 2.16 H new ATOM 1101 N ALA A 75 -3.099 -12.827 -7.194 1.00 1.46 N ATOM 1102 CA ALA A 75 -3.770 -12.884 -5.883 1.00 1.28 C ATOM 1103 C ALA A 75 -3.757 -11.568 -5.090 1.00 1.15 C ATOM 1104 O ALA A 75 -4.114 -11.556 -3.915 1.00 1.41 O ATOM 1105 CB ALA A 75 -3.162 -13.997 -5.031 1.00 1.22 C ATOM 0 H ALA A 75 -2.323 -12.166 -7.232 1.00 1.46 H new ATOM 0 HA ALA A 75 -4.817 -13.087 -6.107 1.00 1.28 H new ATOM 0 HB1 ALA A 75 -3.665 -14.031 -4.064 1.00 1.22 H new ATOM 0 HB2 ALA A 75 -3.287 -14.953 -5.539 1.00 1.22 H new ATOM 0 HB3 ALA A 75 -2.100 -13.802 -4.881 1.00 1.22 H new ATOM 1111 N LYS A 76 -3.355 -10.453 -5.704 1.00 0.91 N ATOM 1112 CA LYS A 76 -3.469 -9.126 -5.131 1.00 0.79 C ATOM 1113 C LYS A 76 -2.708 -8.970 -3.807 1.00 0.85 C ATOM 1114 O LYS A 76 -3.261 -8.620 -2.767 1.00 1.04 O ATOM 1115 CB LYS A 76 -4.953 -8.779 -5.088 1.00 0.91 C ATOM 1116 CG LYS A 76 -5.371 -7.297 -5.105 1.00 1.38 C ATOM 1117 CD LYS A 76 -4.893 -6.380 -3.963 1.00 2.79 C ATOM 1118 CE LYS A 76 -5.792 -5.127 -3.931 1.00 3.59 C ATOM 1119 NZ LYS A 76 -5.172 -3.942 -3.296 1.00 5.30 N ATOM 0 H LYS A 76 -2.933 -10.456 -6.633 1.00 0.91 H new ATOM 0 HA LYS A 76 -2.966 -8.388 -5.755 1.00 0.79 H new ATOM 0 HB2 LYS A 76 -5.430 -9.266 -5.939 1.00 0.91 H new ATOM 0 HB3 LYS A 76 -5.371 -9.229 -4.187 1.00 0.91 H new ATOM 0 HG2 LYS A 76 -5.022 -6.866 -6.043 1.00 1.38 H new ATOM 0 HG3 LYS A 76 -6.460 -7.261 -5.124 1.00 1.38 H new ATOM 0 HD2 LYS A 76 -4.942 -6.906 -3.009 1.00 2.79 H new ATOM 0 HD3 LYS A 76 -3.852 -6.095 -4.117 1.00 2.79 H new ATOM 0 HE2 LYS A 76 -6.073 -4.871 -4.953 1.00 3.59 H new ATOM 0 HE3 LYS A 76 -6.712 -5.369 -3.399 1.00 3.59 H new ATOM 0 HZ1 LYS A 76 -5.917 -3.313 -2.933 1.00 5.30 H new ATOM 0 HZ2 LYS A 76 -4.564 -4.248 -2.510 1.00 5.30 H new ATOM 0 HZ3 LYS A 76 -4.599 -3.431 -3.998 1.00 5.30 H new ATOM 1133 N GLN A 77 -1.390 -9.119 -3.898 1.00 0.82 N ATOM 1134 CA GLN A 77 -0.448 -8.858 -2.828 1.00 0.86 C ATOM 1135 C GLN A 77 -0.118 -7.379 -2.948 1.00 0.94 C ATOM 1136 O GLN A 77 0.854 -6.987 -3.591 1.00 1.70 O ATOM 1137 CB GLN A 77 0.792 -9.771 -2.878 1.00 1.11 C ATOM 1138 CG GLN A 77 1.156 -10.346 -4.250 1.00 1.23 C ATOM 1139 CD GLN A 77 0.319 -11.584 -4.562 1.00 1.20 C ATOM 1140 OE1 GLN A 77 -0.639 -11.499 -5.479 1.00 1.75 O flip ATOM 1141 NE2 GLN A 77 0.514 -12.630 -3.954 1.00 1.20 N flip ATOM 0 H GLN A 77 -0.937 -9.437 -4.755 1.00 0.82 H new ATOM 0 HA GLN A 77 -0.875 -9.088 -1.852 1.00 0.86 H new ATOM 0 HB2 GLN A 77 1.647 -9.207 -2.505 1.00 1.11 H new ATOM 0 HB3 GLN A 77 0.633 -10.601 -2.190 1.00 1.11 H new ATOM 0 HG2 GLN A 77 0.996 -9.591 -5.019 1.00 1.23 H new ATOM 0 HG3 GLN A 77 2.215 -10.603 -4.271 1.00 1.23 H new ATOM 0 HE21 GLN A 77 1.253 -12.682 -3.253 1.00 1.20 H new ATOM 0 HE22 GLN A 77 -0.062 -13.449 -4.149 1.00 1.20 H new ATOM 1150 N GLY A 78 -1.033 -6.562 -2.431 1.00 1.07 N ATOM 1151 CA GLY A 78 -1.073 -5.141 -2.721 1.00 1.19 C ATOM 1152 C GLY A 78 0.027 -4.324 -2.045 1.00 0.91 C ATOM 1153 O GLY A 78 -0.257 -3.541 -1.142 1.00 1.08 O ATOM 0 H GLY A 78 -1.768 -6.874 -1.797 1.00 1.07 H new ATOM 0 HA2 GLY A 78 -1.001 -5.001 -3.800 1.00 1.19 H new ATOM 0 HA3 GLY A 78 -2.042 -4.747 -2.413 1.00 1.19 H new ATOM 1157 N ASN A 79 1.284 -4.523 -2.449 1.00 0.89 N ATOM 1158 CA ASN A 79 2.445 -4.233 -1.616 1.00 1.05 C ATOM 1159 C ASN A 79 3.533 -3.564 -2.460 1.00 1.27 C ATOM 1160 O ASN A 79 4.375 -4.237 -3.048 1.00 2.09 O ATOM 1161 CB ASN A 79 2.915 -5.541 -0.949 1.00 1.19 C ATOM 1162 CG ASN A 79 1.754 -6.345 -0.356 1.00 1.65 C ATOM 1163 OD1 ASN A 79 1.576 -7.521 -0.647 1.00 3.01 O ATOM 1164 ND2 ASN A 79 0.887 -5.716 0.422 1.00 1.05 N ATOM 0 H ASN A 79 1.522 -4.892 -3.369 1.00 0.89 H new ATOM 0 HA ASN A 79 2.193 -3.530 -0.822 1.00 1.05 H new ATOM 0 HB2 ASN A 79 3.439 -6.152 -1.684 1.00 1.19 H new ATOM 0 HB3 ASN A 79 3.631 -5.307 -0.161 1.00 1.19 H new ATOM 0 HD21 ASN A 79 0.070 -6.211 0.780 1.00 1.05 H new ATOM 0 HD22 ASN A 79 1.036 -4.736 0.664 1.00 1.05 H new ATOM 1171 N GLY A 80 3.504 -2.229 -2.530 1.00 0.86 N ATOM 1172 CA GLY A 80 4.375 -1.411 -3.363 1.00 0.94 C ATOM 1173 C GLY A 80 5.267 -0.533 -2.492 1.00 0.81 C ATOM 1174 O GLY A 80 4.769 0.199 -1.644 1.00 1.00 O ATOM 0 H GLY A 80 2.846 -1.673 -1.985 1.00 0.86 H new ATOM 0 HA2 GLY A 80 4.990 -2.051 -3.996 1.00 0.94 H new ATOM 0 HA3 GLY A 80 3.775 -0.788 -4.026 1.00 0.94 H new ATOM 1178 N LYS A 81 6.585 -0.625 -2.657 1.00 0.78 N ATOM 1179 CA LYS A 81 7.507 -0.155 -1.630 1.00 0.72 C ATOM 1180 C LYS A 81 7.709 1.363 -1.638 1.00 0.75 C ATOM 1181 O LYS A 81 7.693 2.003 -2.694 1.00 0.87 O ATOM 1182 CB LYS A 81 8.820 -0.943 -1.650 1.00 0.86 C ATOM 1183 CG LYS A 81 9.795 -0.646 -2.793 1.00 1.14 C ATOM 1184 CD LYS A 81 11.101 -1.391 -2.474 1.00 1.95 C ATOM 1185 CE LYS A 81 12.232 -1.014 -3.435 1.00 2.82 C ATOM 1186 NZ LYS A 81 13.558 -1.357 -2.882 1.00 3.97 N ATOM 0 H LYS A 81 7.034 -1.017 -3.485 1.00 0.78 H new ATOM 0 HA LYS A 81 7.033 -0.360 -0.670 1.00 0.72 H new ATOM 0 HB2 LYS A 81 9.338 -0.761 -0.708 1.00 0.86 H new ATOM 0 HB3 LYS A 81 8.577 -2.005 -1.680 1.00 0.86 H new ATOM 0 HG2 LYS A 81 9.384 -0.978 -3.746 1.00 1.14 H new ATOM 0 HG3 LYS A 81 9.973 0.426 -2.879 1.00 1.14 H new ATOM 0 HD2 LYS A 81 11.405 -1.166 -1.452 1.00 1.95 H new ATOM 0 HD3 LYS A 81 10.926 -2.466 -2.525 1.00 1.95 H new ATOM 0 HE2 LYS A 81 12.089 -1.530 -4.384 1.00 2.82 H new ATOM 0 HE3 LYS A 81 12.191 0.055 -3.644 1.00 2.82 H new ATOM 0 HZ1 LYS A 81 14.288 -0.780 -3.347 1.00 3.97 H new ATOM 0 HZ2 LYS A 81 13.567 -1.168 -1.859 1.00 3.97 H new ATOM 0 HZ3 LYS A 81 13.754 -2.364 -3.050 1.00 3.97 H new ATOM 1200 N ILE A 82 7.931 1.914 -0.439 1.00 0.77 N ATOM 1201 CA ILE A 82 8.041 3.331 -0.128 1.00 0.85 C ATOM 1202 C ILE A 82 9.534 3.648 0.015 1.00 0.83 C ATOM 1203 O ILE A 82 10.025 4.001 1.090 1.00 1.01 O ATOM 1204 CB ILE A 82 7.224 3.626 1.149 1.00 0.98 C ATOM 1205 CG1 ILE A 82 5.764 3.153 1.019 1.00 1.63 C ATOM 1206 CG2 ILE A 82 7.230 5.113 1.530 1.00 1.37 C ATOM 1207 CD1 ILE A 82 4.960 3.404 2.302 1.00 1.97 C ATOM 0 H ILE A 82 8.045 1.335 0.393 1.00 0.77 H new ATOM 0 HA ILE A 82 7.632 3.970 -0.911 1.00 0.85 H new ATOM 0 HB ILE A 82 7.720 3.064 1.941 1.00 0.98 H new ATOM 0 HG12 ILE A 82 5.288 3.671 0.186 1.00 1.63 H new ATOM 0 HG13 ILE A 82 5.748 2.089 0.784 1.00 1.63 H new ATOM 0 HG21 ILE A 82 6.640 5.259 2.435 1.00 1.37 H new ATOM 0 HG22 ILE A 82 8.255 5.439 1.709 1.00 1.37 H new ATOM 0 HG23 ILE A 82 6.800 5.698 0.718 1.00 1.37 H new ATOM 0 HD11 ILE A 82 3.937 3.055 2.164 1.00 1.97 H new ATOM 0 HD12 ILE A 82 5.419 2.865 3.130 1.00 1.97 H new ATOM 0 HD13 ILE A 82 4.953 4.471 2.524 1.00 1.97 H new ATOM 1219 N GLU A 83 10.255 3.507 -1.101 1.00 1.11 N ATOM 1220 CA GLU A 83 11.680 3.768 -1.197 1.00 1.14 C ATOM 1221 C GLU A 83 11.884 5.051 -2.006 1.00 1.38 C ATOM 1222 O GLU A 83 11.536 5.096 -3.194 1.00 1.89 O ATOM 1223 CB GLU A 83 12.358 2.549 -1.819 1.00 1.40 C ATOM 1224 CG GLU A 83 13.872 2.568 -1.603 1.00 1.42 C ATOM 1225 CD GLU A 83 14.427 1.196 -1.940 1.00 1.98 C ATOM 1226 OE1 GLU A 83 14.320 0.305 -1.072 1.00 3.30 O ATOM 1227 OE2 GLU A 83 14.747 0.938 -3.123 1.00 2.21 O ATOM 0 H GLU A 83 9.845 3.199 -1.983 1.00 1.11 H new ATOM 0 HA GLU A 83 12.135 3.925 -0.219 1.00 1.14 H new ATOM 0 HB2 GLU A 83 11.941 1.640 -1.385 1.00 1.40 H new ATOM 0 HB3 GLU A 83 12.144 2.520 -2.887 1.00 1.40 H new ATOM 0 HG2 GLU A 83 14.334 3.328 -2.233 1.00 1.42 H new ATOM 0 HG3 GLU A 83 14.103 2.826 -0.570 1.00 1.42 H new ATOM 1234 N HIS A 84 12.319 6.112 -1.319 1.00 1.26 N ATOM 1235 CA HIS A 84 12.648 7.419 -1.894 1.00 1.09 C ATOM 1236 C HIS A 84 13.546 8.333 -1.030 1.00 1.23 C ATOM 1237 O HIS A 84 14.001 9.359 -1.533 1.00 1.74 O ATOM 1238 CB HIS A 84 11.321 8.172 -2.106 1.00 1.37 C ATOM 1239 CG HIS A 84 11.342 9.260 -3.151 1.00 1.50 C ATOM 1240 ND1 HIS A 84 12.450 9.901 -3.656 1.00 2.51 N ATOM 1241 CD2 HIS A 84 10.242 9.832 -3.726 1.00 2.00 C ATOM 1242 CE1 HIS A 84 12.023 10.813 -4.545 1.00 3.52 C ATOM 1243 NE2 HIS A 84 10.682 10.801 -4.630 1.00 3.28 N ATOM 0 H HIS A 84 12.457 6.082 -0.309 1.00 1.26 H new ATOM 0 HA HIS A 84 13.212 7.209 -2.803 1.00 1.09 H new ATOM 0 HB2 HIS A 84 10.554 7.447 -2.379 1.00 1.37 H new ATOM 0 HB3 HIS A 84 11.020 8.613 -1.156 1.00 1.37 H new ATOM 0 HD1 HIS A 84 13.420 9.717 -3.401 1.00 2.51 H new ATOM 0 HD2 HIS A 84 9.213 9.579 -3.518 1.00 2.00 H new ATOM 0 HE1 HIS A 84 12.669 11.466 -5.113 1.00 3.52 H new ATOM 1251 N LEU A 85 13.725 8.072 0.269 1.00 1.03 N ATOM 1252 CA LEU A 85 13.650 9.161 1.235 1.00 0.99 C ATOM 1253 C LEU A 85 15.009 9.706 1.660 1.00 1.02 C ATOM 1254 O LEU A 85 16.038 9.048 1.536 1.00 1.25 O ATOM 1255 CB LEU A 85 12.799 8.763 2.458 1.00 0.91 C ATOM 1256 CG LEU A 85 11.295 8.774 2.166 1.00 1.00 C ATOM 1257 CD1 LEU A 85 10.782 7.457 1.585 1.00 1.83 C ATOM 1258 CD2 LEU A 85 10.458 9.057 3.415 1.00 1.39 C ATOM 0 H LEU A 85 13.916 7.150 0.661 1.00 1.03 H new ATOM 0 HA LEU A 85 13.154 9.982 0.717 1.00 0.99 H new ATOM 0 HB2 LEU A 85 13.092 7.767 2.790 1.00 0.91 H new ATOM 0 HB3 LEU A 85 13.010 9.448 3.279 1.00 0.91 H new ATOM 0 HG LEU A 85 11.180 9.573 1.434 1.00 1.00 H new ATOM 0 HD11 LEU A 85 9.710 7.533 1.402 1.00 1.83 H new ATOM 0 HD12 LEU A 85 11.297 7.248 0.647 1.00 1.83 H new ATOM 0 HD13 LEU A 85 10.973 6.649 2.291 1.00 1.83 H new ATOM 0 HD21 LEU A 85 9.400 9.054 3.153 1.00 1.39 H new ATOM 0 HD22 LEU A 85 10.649 8.287 4.163 1.00 1.39 H new ATOM 0 HD23 LEU A 85 10.728 10.032 3.821 1.00 1.39 H new ATOM 1270 N LYS A 86 14.955 10.936 2.188 1.00 1.15 N ATOM 1271 CA LYS A 86 16.081 11.772 2.571 1.00 1.38 C ATOM 1272 C LYS A 86 17.081 11.067 3.495 1.00 1.29 C ATOM 1273 O LYS A 86 18.260 11.413 3.496 1.00 1.62 O ATOM 1274 CB LYS A 86 15.571 13.093 3.183 1.00 1.72 C ATOM 1275 CG LYS A 86 14.762 12.929 4.485 1.00 1.60 C ATOM 1276 CD LYS A 86 13.237 13.023 4.315 1.00 2.72 C ATOM 1277 CE LYS A 86 12.736 14.481 4.412 1.00 3.67 C ATOM 1278 NZ LYS A 86 11.260 14.590 4.502 1.00 4.96 N ATOM 0 H LYS A 86 14.062 11.395 2.367 1.00 1.15 H new ATOM 0 HA LYS A 86 16.640 11.993 1.662 1.00 1.38 H new ATOM 0 HB2 LYS A 86 16.426 13.740 3.381 1.00 1.72 H new ATOM 0 HB3 LYS A 86 14.950 13.603 2.447 1.00 1.72 H new ATOM 0 HG2 LYS A 86 15.005 11.963 4.927 1.00 1.60 H new ATOM 0 HG3 LYS A 86 15.082 13.693 5.193 1.00 1.60 H new ATOM 0 HD2 LYS A 86 12.953 12.605 3.349 1.00 2.72 H new ATOM 0 HD3 LYS A 86 12.748 12.419 5.080 1.00 2.72 H new ATOM 0 HE2 LYS A 86 13.182 14.954 5.287 1.00 3.67 H new ATOM 0 HE3 LYS A 86 13.082 15.035 3.539 1.00 3.67 H new ATOM 0 HZ1 LYS A 86 10.967 15.554 4.244 1.00 4.96 H new ATOM 0 HZ2 LYS A 86 10.821 13.908 3.851 1.00 4.96 H new ATOM 0 HZ3 LYS A 86 10.955 14.384 5.475 1.00 4.96 H new ATOM 1292 N SER A 87 16.598 10.130 4.313 1.00 1.02 N ATOM 1293 CA SER A 87 17.393 9.417 5.307 1.00 1.09 C ATOM 1294 C SER A 87 17.092 7.921 5.146 1.00 0.95 C ATOM 1295 O SER A 87 15.981 7.584 4.730 1.00 0.94 O ATOM 1296 CB SER A 87 17.051 9.992 6.691 1.00 1.42 C ATOM 1297 OG SER A 87 17.960 9.584 7.691 1.00 1.81 O ATOM 0 H SER A 87 15.620 9.841 4.300 1.00 1.02 H new ATOM 0 HA SER A 87 18.468 9.542 5.180 1.00 1.09 H new ATOM 0 HB2 SER A 87 17.043 11.081 6.636 1.00 1.42 H new ATOM 0 HB3 SER A 87 16.045 9.680 6.971 1.00 1.42 H new ATOM 0 HG SER A 87 17.699 9.977 8.550 1.00 1.81 H new ATOM 1303 N PRO A 88 18.073 7.024 5.353 1.00 1.06 N ATOM 1304 CA PRO A 88 17.955 5.626 4.971 1.00 1.12 C ATOM 1305 C PRO A 88 16.791 4.930 5.675 1.00 1.11 C ATOM 1306 O PRO A 88 15.934 4.346 5.009 1.00 1.35 O ATOM 1307 CB PRO A 88 19.309 4.975 5.285 1.00 1.43 C ATOM 1308 CG PRO A 88 19.966 5.935 6.276 1.00 1.54 C ATOM 1309 CD PRO A 88 19.413 7.293 5.852 1.00 1.30 C ATOM 0 HA PRO A 88 17.724 5.532 3.910 1.00 1.12 H new ATOM 0 HB2 PRO A 88 19.183 3.982 5.716 1.00 1.43 H new ATOM 0 HB3 PRO A 88 19.912 4.857 4.385 1.00 1.43 H new ATOM 0 HG2 PRO A 88 19.703 5.695 7.306 1.00 1.54 H new ATOM 0 HG3 PRO A 88 21.053 5.903 6.209 1.00 1.54 H new ATOM 0 HD2 PRO A 88 19.388 7.987 6.692 1.00 1.30 H new ATOM 0 HD3 PRO A 88 20.036 7.748 5.082 1.00 1.30 H new ATOM 1317 N GLU A 89 16.767 4.975 7.007 1.00 1.15 N ATOM 1318 CA GLU A 89 15.768 4.323 7.845 1.00 1.24 C ATOM 1319 C GLU A 89 14.327 4.656 7.425 1.00 1.15 C ATOM 1320 O GLU A 89 13.467 3.778 7.429 1.00 1.43 O ATOM 1321 CB GLU A 89 16.064 4.603 9.330 1.00 1.43 C ATOM 1322 CG GLU A 89 15.842 6.054 9.790 1.00 2.62 C ATOM 1323 CD GLU A 89 16.447 7.068 8.836 1.00 2.93 C ATOM 1324 OE1 GLU A 89 15.657 7.755 8.163 1.00 4.05 O ATOM 1325 OE2 GLU A 89 17.679 7.050 8.638 1.00 3.14 O ATOM 0 H GLU A 89 17.467 5.484 7.547 1.00 1.15 H new ATOM 0 HA GLU A 89 15.844 3.246 7.697 1.00 1.24 H new ATOM 0 HB2 GLU A 89 15.438 3.949 9.936 1.00 1.43 H new ATOM 0 HB3 GLU A 89 17.100 4.331 9.533 1.00 1.43 H new ATOM 0 HG2 GLU A 89 14.772 6.242 9.884 1.00 2.62 H new ATOM 0 HG3 GLU A 89 16.277 6.188 10.780 1.00 2.62 H new ATOM 1332 N LEU A 90 14.068 5.907 7.036 1.00 1.13 N ATOM 1333 CA LEU A 90 12.782 6.372 6.536 1.00 1.07 C ATOM 1334 C LEU A 90 12.265 5.545 5.350 1.00 0.86 C ATOM 1335 O LEU A 90 11.055 5.503 5.131 1.00 0.96 O ATOM 1336 CB LEU A 90 12.865 7.870 6.171 1.00 1.08 C ATOM 1337 CG LEU A 90 12.143 8.838 7.126 1.00 1.48 C ATOM 1338 CD1 LEU A 90 10.627 8.603 7.201 1.00 1.73 C ATOM 1339 CD2 LEU A 90 12.768 8.833 8.524 1.00 2.10 C ATOM 0 H LEU A 90 14.773 6.643 7.063 1.00 1.13 H new ATOM 0 HA LEU A 90 12.058 6.237 7.339 1.00 1.07 H new ATOM 0 HB2 LEU A 90 13.916 8.154 6.124 1.00 1.08 H new ATOM 0 HB3 LEU A 90 12.453 8.003 5.171 1.00 1.08 H new ATOM 0 HG LEU A 90 12.282 9.829 6.695 1.00 1.48 H new ATOM 0 HD11 LEU A 90 10.182 9.319 7.891 1.00 1.73 H new ATOM 0 HD12 LEU A 90 10.189 8.733 6.211 1.00 1.73 H new ATOM 0 HD13 LEU A 90 10.433 7.590 7.554 1.00 1.73 H new ATOM 0 HD21 LEU A 90 12.229 9.529 9.166 1.00 2.10 H new ATOM 0 HD22 LEU A 90 12.708 7.830 8.946 1.00 2.10 H new ATOM 0 HD23 LEU A 90 13.813 9.136 8.457 1.00 2.10 H new ATOM 1351 N ASN A 91 13.143 4.918 4.557 1.00 0.72 N ATOM 1352 CA ASN A 91 12.715 4.103 3.429 1.00 0.68 C ATOM 1353 C ASN A 91 11.990 2.866 3.943 1.00 0.75 C ATOM 1354 O ASN A 91 12.564 2.061 4.673 1.00 1.30 O ATOM 1355 CB ASN A 91 13.896 3.727 2.533 1.00 0.79 C ATOM 1356 CG ASN A 91 14.446 4.974 1.857 1.00 0.89 C ATOM 1357 OD1 ASN A 91 13.975 5.365 0.793 1.00 1.76 O ATOM 1358 ND2 ASN A 91 15.394 5.650 2.496 1.00 0.92 N ATOM 0 H ASN A 91 14.154 4.964 4.682 1.00 0.72 H new ATOM 0 HA ASN A 91 12.027 4.684 2.815 1.00 0.68 H new ATOM 0 HB2 ASN A 91 14.676 3.249 3.125 1.00 0.79 H new ATOM 0 HB3 ASN A 91 13.579 3.004 1.781 1.00 0.79 H new ATOM 0 HD21 ASN A 91 15.751 6.521 2.104 1.00 0.92 H new ATOM 0 HD22 ASN A 91 15.765 5.298 3.379 1.00 0.92 H new ATOM 1365 N VAL A 92 10.720 2.729 3.569 1.00 0.56 N ATOM 1366 CA VAL A 92 9.847 1.673 4.045 1.00 0.54 C ATOM 1367 C VAL A 92 9.631 0.673 2.915 1.00 0.53 C ATOM 1368 O VAL A 92 9.324 1.076 1.791 1.00 0.70 O ATOM 1369 CB VAL A 92 8.532 2.298 4.549 1.00 0.57 C ATOM 1370 CG1 VAL A 92 7.345 1.335 4.461 1.00 0.90 C ATOM 1371 CG2 VAL A 92 8.671 2.737 6.003 1.00 0.89 C ATOM 0 H VAL A 92 10.265 3.365 2.913 1.00 0.56 H new ATOM 0 HA VAL A 92 10.291 1.134 4.882 1.00 0.54 H new ATOM 0 HB VAL A 92 8.338 3.151 3.899 1.00 0.57 H new ATOM 0 HG11 VAL A 92 6.447 1.830 4.830 1.00 0.90 H new ATOM 0 HG12 VAL A 92 7.195 1.036 3.424 1.00 0.90 H new ATOM 0 HG13 VAL A 92 7.547 0.452 5.067 1.00 0.90 H new ATOM 0 HG21 VAL A 92 7.733 3.176 6.342 1.00 0.89 H new ATOM 0 HG22 VAL A 92 8.912 1.873 6.622 1.00 0.89 H new ATOM 0 HG23 VAL A 92 9.468 3.476 6.085 1.00 0.89 H new ATOM 1381 N ASP A 93 9.732 -0.624 3.217 1.00 0.49 N ATOM 1382 CA ASP A 93 9.204 -1.655 2.336 1.00 0.48 C ATOM 1383 C ASP A 93 8.013 -2.301 3.028 1.00 0.53 C ATOM 1384 O ASP A 93 7.870 -2.216 4.248 1.00 0.60 O ATOM 1385 CB ASP A 93 10.292 -2.662 1.943 1.00 0.51 C ATOM 1386 CG ASP A 93 10.004 -3.285 0.583 1.00 1.03 C ATOM 1387 OD1 ASP A 93 10.978 -3.474 -0.177 1.00 1.66 O ATOM 1388 OD2 ASP A 93 8.806 -3.507 0.302 1.00 2.14 O ATOM 0 H ASP A 93 10.175 -0.979 4.065 1.00 0.49 H new ATOM 0 HA ASP A 93 8.866 -1.219 1.396 1.00 0.48 H new ATOM 0 HB2 ASP A 93 11.261 -2.163 1.919 1.00 0.51 H new ATOM 0 HB3 ASP A 93 10.355 -3.445 2.698 1.00 0.51 H new ATOM 1393 N LEU A 94 7.119 -2.880 2.239 1.00 0.67 N ATOM 1394 CA LEU A 94 5.838 -3.396 2.682 1.00 0.74 C ATOM 1395 C LEU A 94 5.877 -4.921 2.644 1.00 0.84 C ATOM 1396 O LEU A 94 6.408 -5.503 1.701 1.00 1.08 O ATOM 1397 CB LEU A 94 4.721 -2.846 1.790 1.00 1.08 C ATOM 1398 CG LEU A 94 4.719 -1.315 1.630 1.00 0.99 C ATOM 1399 CD1 LEU A 94 3.449 -0.857 0.914 1.00 1.17 C ATOM 1400 CD2 LEU A 94 4.774 -0.581 2.964 1.00 1.67 C ATOM 0 H LEU A 94 7.274 -3.006 1.239 1.00 0.67 H new ATOM 0 HA LEU A 94 5.637 -3.077 3.705 1.00 0.74 H new ATOM 0 HB2 LEU A 94 4.806 -3.300 0.803 1.00 1.08 H new ATOM 0 HB3 LEU A 94 3.760 -3.156 2.202 1.00 1.08 H new ATOM 0 HG LEU A 94 5.613 -1.075 1.054 1.00 0.99 H new ATOM 0 HD11 LEU A 94 3.462 0.228 0.808 1.00 1.17 H new ATOM 0 HD12 LEU A 94 3.402 -1.317 -0.073 1.00 1.17 H new ATOM 0 HD13 LEU A 94 2.576 -1.154 1.495 1.00 1.17 H new ATOM 0 HD21 LEU A 94 4.770 0.495 2.788 1.00 1.67 H new ATOM 0 HD22 LEU A 94 3.907 -0.853 3.565 1.00 1.67 H new ATOM 0 HD23 LEU A 94 5.685 -0.858 3.495 1.00 1.67 H new ATOM 1412 N ALA A 95 5.288 -5.583 3.641 1.00 0.84 N ATOM 1413 CA ALA A 95 5.273 -7.036 3.661 1.00 1.03 C ATOM 1414 C ALA A 95 4.220 -7.528 2.668 1.00 0.97 C ATOM 1415 O ALA A 95 3.293 -6.789 2.332 1.00 0.86 O ATOM 1416 CB ALA A 95 4.952 -7.524 5.075 1.00 1.18 C ATOM 0 H ALA A 95 4.823 -5.139 4.432 1.00 0.84 H new ATOM 0 HA ALA A 95 6.248 -7.430 3.375 1.00 1.03 H new ATOM 0 HB1 ALA A 95 4.941 -8.614 5.090 1.00 1.18 H new ATOM 0 HB2 ALA A 95 5.711 -7.159 5.767 1.00 1.18 H new ATOM 0 HB3 ALA A 95 3.975 -7.147 5.377 1.00 1.18 H new ATOM 1422 N ALA A 96 4.351 -8.774 2.201 1.00 1.21 N ATOM 1423 CA ALA A 96 3.406 -9.310 1.236 1.00 1.24 C ATOM 1424 C ALA A 96 2.123 -9.677 1.978 1.00 1.07 C ATOM 1425 O ALA A 96 2.187 -10.316 3.026 1.00 1.59 O ATOM 1426 CB ALA A 96 3.969 -10.511 0.476 1.00 1.60 C ATOM 0 H ALA A 96 5.094 -9.417 2.475 1.00 1.21 H new ATOM 0 HA ALA A 96 3.200 -8.551 0.482 1.00 1.24 H new ATOM 0 HB1 ALA A 96 3.225 -10.875 -0.233 1.00 1.60 H new ATOM 0 HB2 ALA A 96 4.868 -10.212 -0.063 1.00 1.60 H new ATOM 0 HB3 ALA A 96 4.217 -11.304 1.181 1.00 1.60 H new ATOM 1432 N ALA A 97 0.968 -9.243 1.468 1.00 0.68 N ATOM 1433 CA ALA A 97 -0.308 -9.413 2.145 1.00 0.56 C ATOM 1434 C ALA A 97 -1.437 -9.405 1.125 1.00 0.62 C ATOM 1435 O ALA A 97 -1.576 -8.448 0.362 1.00 1.04 O ATOM 1436 CB ALA A 97 -0.513 -8.310 3.184 1.00 0.75 C ATOM 0 H ALA A 97 0.897 -8.763 0.571 1.00 0.68 H new ATOM 0 HA ALA A 97 -0.309 -10.372 2.664 1.00 0.56 H new ATOM 0 HB1 ALA A 97 -1.473 -8.452 3.681 1.00 0.75 H new ATOM 0 HB2 ALA A 97 0.288 -8.352 3.922 1.00 0.75 H new ATOM 0 HB3 ALA A 97 -0.501 -7.338 2.690 1.00 0.75 H new ATOM 1442 N ASP A 98 -2.226 -10.478 1.133 1.00 0.58 N ATOM 1443 CA ASP A 98 -3.370 -10.719 0.272 1.00 0.72 C ATOM 1444 C ASP A 98 -4.578 -9.933 0.788 1.00 0.80 C ATOM 1445 O ASP A 98 -4.523 -9.282 1.834 1.00 1.13 O ATOM 1446 CB ASP A 98 -3.697 -12.216 0.341 1.00 1.00 C ATOM 1447 CG ASP A 98 -4.086 -12.586 1.767 1.00 2.28 C ATOM 1448 OD1 ASP A 98 -3.155 -12.571 2.604 1.00 3.07 O ATOM 1449 OD2 ASP A 98 -5.296 -12.790 2.002 1.00 3.44 O ATOM 0 H ASP A 98 -2.069 -11.247 1.784 1.00 0.58 H new ATOM 0 HA ASP A 98 -3.146 -10.409 -0.749 1.00 0.72 H new ATOM 0 HB2 ASP A 98 -4.512 -12.453 -0.343 1.00 1.00 H new ATOM 0 HB3 ASP A 98 -2.835 -12.802 0.024 1.00 1.00 H new ATOM 1454 N ILE A 99 -5.674 -9.998 0.034 1.00 0.74 N ATOM 1455 CA ILE A 99 -6.939 -9.350 0.306 1.00 0.81 C ATOM 1456 C ILE A 99 -7.984 -10.437 0.574 1.00 1.06 C ATOM 1457 O ILE A 99 -8.748 -10.843 -0.300 1.00 1.51 O ATOM 1458 CB ILE A 99 -7.270 -8.377 -0.840 1.00 0.74 C ATOM 1459 CG1 ILE A 99 -8.733 -7.965 -0.850 1.00 0.88 C ATOM 1460 CG2 ILE A 99 -6.850 -8.901 -2.209 1.00 1.12 C ATOM 1461 CD1 ILE A 99 -8.866 -6.539 -1.381 1.00 1.12 C ATOM 0 H ILE A 99 -5.695 -10.538 -0.831 1.00 0.74 H new ATOM 0 HA ILE A 99 -6.912 -8.729 1.201 1.00 0.81 H new ATOM 0 HB ILE A 99 -6.674 -7.487 -0.638 1.00 0.74 H new ATOM 0 HG12 ILE A 99 -9.309 -8.650 -1.473 1.00 0.88 H new ATOM 0 HG13 ILE A 99 -9.145 -8.027 0.157 1.00 0.88 H new ATOM 0 HG21 ILE A 99 -7.111 -8.170 -2.974 1.00 1.12 H new ATOM 0 HG22 ILE A 99 -5.773 -9.069 -2.219 1.00 1.12 H new ATOM 0 HG23 ILE A 99 -7.366 -9.839 -2.413 1.00 1.12 H new ATOM 0 HD11 ILE A 99 -9.917 -6.249 -1.386 1.00 1.12 H new ATOM 0 HD12 ILE A 99 -8.305 -5.858 -0.741 1.00 1.12 H new ATOM 0 HD13 ILE A 99 -8.471 -6.490 -2.396 1.00 1.12 H new ATOM 1473 N LYS A 100 -7.999 -10.888 1.825 1.00 1.43 N ATOM 1474 CA LYS A 100 -8.996 -11.777 2.403 1.00 1.86 C ATOM 1475 C LYS A 100 -10.421 -11.249 2.171 1.00 1.58 C ATOM 1476 O LYS A 100 -10.626 -10.036 2.138 1.00 2.65 O ATOM 1477 CB LYS A 100 -8.696 -11.963 3.897 1.00 2.96 C ATOM 1478 CG LYS A 100 -8.191 -10.681 4.584 1.00 4.64 C ATOM 1479 CD LYS A 100 -8.945 -10.380 5.874 1.00 5.66 C ATOM 1480 CE LYS A 100 -10.324 -9.789 5.541 1.00 6.89 C ATOM 1481 NZ LYS A 100 -10.979 -9.204 6.725 1.00 8.33 N ATOM 0 H LYS A 100 -7.277 -10.628 2.497 1.00 1.43 H new ATOM 0 HA LYS A 100 -8.942 -12.747 1.908 1.00 1.86 H new ATOM 0 HB2 LYS A 100 -9.600 -12.305 4.402 1.00 2.96 H new ATOM 0 HB3 LYS A 100 -7.949 -12.748 4.015 1.00 2.96 H new ATOM 0 HG2 LYS A 100 -7.128 -10.783 4.803 1.00 4.64 H new ATOM 0 HG3 LYS A 100 -8.296 -9.839 3.900 1.00 4.64 H new ATOM 0 HD2 LYS A 100 -9.061 -11.292 6.460 1.00 5.66 H new ATOM 0 HD3 LYS A 100 -8.376 -9.679 6.484 1.00 5.66 H new ATOM 0 HE2 LYS A 100 -10.214 -9.023 4.773 1.00 6.89 H new ATOM 0 HE3 LYS A 100 -10.961 -10.569 5.124 1.00 6.89 H new ATOM 0 HZ1 LYS A 100 -11.540 -8.377 6.438 1.00 8.33 H new ATOM 0 HZ2 LYS A 100 -11.604 -9.912 7.161 1.00 8.33 H new ATOM 0 HZ3 LYS A 100 -10.256 -8.911 7.412 1.00 8.33 H new ATOM 1495 N PRO A 101 -11.424 -12.129 2.029 1.00 1.47 N ATOM 1496 CA PRO A 101 -12.757 -11.742 1.597 1.00 2.04 C ATOM 1497 C PRO A 101 -13.542 -10.988 2.679 1.00 1.60 C ATOM 1498 O PRO A 101 -14.407 -11.551 3.345 1.00 2.57 O ATOM 1499 CB PRO A 101 -13.437 -13.048 1.167 1.00 3.59 C ATOM 1500 CG PRO A 101 -12.750 -14.101 2.033 1.00 3.86 C ATOM 1501 CD PRO A 101 -11.317 -13.579 2.091 1.00 2.56 C ATOM 0 HA PRO A 101 -12.714 -11.028 0.774 1.00 2.04 H new ATOM 0 HB2 PRO A 101 -14.512 -13.020 1.345 1.00 3.59 H new ATOM 0 HB3 PRO A 101 -13.295 -13.245 0.104 1.00 3.59 H new ATOM 0 HG2 PRO A 101 -13.199 -14.171 3.024 1.00 3.86 H new ATOM 0 HG3 PRO A 101 -12.805 -15.094 1.588 1.00 3.86 H new ATOM 0 HD2 PRO A 101 -10.821 -13.896 3.009 1.00 2.56 H new ATOM 0 HD3 PRO A 101 -10.726 -13.964 1.260 1.00 2.56 H new ATOM 1509 N ASP A 102 -13.320 -9.672 2.782 1.00 1.45 N ATOM 1510 CA ASP A 102 -14.251 -8.754 3.448 1.00 1.81 C ATOM 1511 C ASP A 102 -15.606 -8.683 2.722 1.00 1.71 C ATOM 1512 O ASP A 102 -16.546 -8.066 3.233 1.00 2.84 O ATOM 1513 CB ASP A 102 -13.670 -7.335 3.523 1.00 2.61 C ATOM 1514 CG ASP A 102 -12.407 -7.216 4.347 1.00 3.92 C ATOM 1515 OD1 ASP A 102 -12.500 -7.489 5.564 1.00 5.08 O ATOM 1516 OD2 ASP A 102 -11.364 -6.868 3.754 1.00 4.62 O ATOM 0 H ASP A 102 -12.490 -9.214 2.406 1.00 1.45 H new ATOM 0 HA ASP A 102 -14.403 -9.149 4.452 1.00 1.81 H new ATOM 0 HB2 ASP A 102 -13.462 -6.987 2.511 1.00 2.61 H new ATOM 0 HB3 ASP A 102 -14.425 -6.669 3.940 1.00 2.61 H new ATOM 1521 N GLY A 103 -15.710 -9.257 1.515 1.00 1.65 N ATOM 1522 CA GLY A 103 -16.961 -9.416 0.787 1.00 2.26 C ATOM 1523 C GLY A 103 -17.631 -8.074 0.528 1.00 1.93 C ATOM 1524 O GLY A 103 -18.707 -7.802 1.069 1.00 2.84 O ATOM 0 H GLY A 103 -14.904 -9.630 1.013 1.00 1.65 H new ATOM 0 HA2 GLY A 103 -16.770 -9.917 -0.162 1.00 2.26 H new ATOM 0 HA3 GLY A 103 -17.635 -10.057 1.356 1.00 2.26 H new ATOM 1528 N LYS A 104 -16.981 -7.198 -0.243 1.00 1.41 N ATOM 1529 CA LYS A 104 -17.447 -5.831 -0.392 1.00 1.71 C ATOM 1530 C LYS A 104 -17.036 -5.213 -1.728 1.00 1.76 C ATOM 1531 O LYS A 104 -16.315 -4.221 -1.782 1.00 2.75 O ATOM 1532 CB LYS A 104 -16.929 -5.010 0.788 1.00 2.19 C ATOM 1533 CG LYS A 104 -17.926 -3.886 1.052 1.00 2.78 C ATOM 1534 CD LYS A 104 -19.118 -4.297 1.940 1.00 2.90 C ATOM 1535 CE LYS A 104 -18.786 -4.920 3.313 1.00 3.78 C ATOM 1536 NZ LYS A 104 -18.583 -6.391 3.282 1.00 4.70 N ATOM 0 H LYS A 104 -16.135 -7.417 -0.769 1.00 1.41 H new ATOM 0 HA LYS A 104 -18.537 -5.831 -0.393 1.00 1.71 H new ATOM 0 HB2 LYS A 104 -16.820 -5.639 1.672 1.00 2.19 H new ATOM 0 HB3 LYS A 104 -15.944 -4.601 0.565 1.00 2.19 H new ATOM 0 HG2 LYS A 104 -17.403 -3.055 1.526 1.00 2.78 H new ATOM 0 HG3 LYS A 104 -18.306 -3.521 0.098 1.00 2.78 H new ATOM 0 HD2 LYS A 104 -19.735 -3.415 2.109 1.00 2.90 H new ATOM 0 HD3 LYS A 104 -19.726 -5.010 1.383 1.00 2.90 H new ATOM 0 HE2 LYS A 104 -17.885 -4.448 3.705 1.00 3.78 H new ATOM 0 HE3 LYS A 104 -19.594 -4.691 4.008 1.00 3.78 H new ATOM 0 HZ1 LYS A 104 -19.105 -6.830 4.067 1.00 4.70 H new ATOM 0 HZ2 LYS A 104 -18.932 -6.771 2.379 1.00 4.70 H new ATOM 0 HZ3 LYS A 104 -17.570 -6.604 3.378 1.00 4.70 H new ATOM 1550 N ARG A 105 -17.505 -5.814 -2.819 1.00 1.61 N ATOM 1551 CA ARG A 105 -17.141 -5.446 -4.183 1.00 1.94 C ATOM 1552 C ARG A 105 -15.629 -5.499 -4.445 1.00 1.96 C ATOM 1553 O ARG A 105 -15.147 -4.913 -5.410 1.00 2.69 O ATOM 1554 CB ARG A 105 -17.708 -4.077 -4.593 1.00 2.20 C ATOM 1555 CG ARG A 105 -19.214 -3.941 -4.347 1.00 2.96 C ATOM 1556 CD ARG A 105 -19.696 -2.615 -4.949 1.00 3.51 C ATOM 1557 NE ARG A 105 -21.147 -2.441 -4.783 1.00 4.70 N ATOM 1558 CZ ARG A 105 -21.846 -1.401 -5.268 1.00 5.61 C ATOM 1559 NH1 ARG A 105 -21.214 -0.432 -5.940 1.00 5.72 N ATOM 1560 NH2 ARG A 105 -23.169 -1.334 -5.078 1.00 6.82 N ATOM 0 H ARG A 105 -18.166 -6.590 -2.777 1.00 1.61 H new ATOM 0 HA ARG A 105 -17.603 -6.208 -4.811 1.00 1.94 H new ATOM 0 HB2 ARG A 105 -17.186 -3.296 -4.041 1.00 2.20 H new ATOM 0 HB3 ARG A 105 -17.504 -3.910 -5.651 1.00 2.20 H new ATOM 0 HG2 ARG A 105 -19.747 -4.777 -4.800 1.00 2.96 H new ATOM 0 HG3 ARG A 105 -19.426 -3.969 -3.278 1.00 2.96 H new ATOM 0 HD2 ARG A 105 -19.173 -1.786 -4.472 1.00 3.51 H new ATOM 0 HD3 ARG A 105 -19.444 -2.583 -6.009 1.00 3.51 H new ATOM 0 HE ARG A 105 -21.656 -3.157 -4.265 1.00 4.70 H new ATOM 0 HH11 ARG A 105 -20.205 -0.485 -6.082 1.00 5.72 H new ATOM 0 HH12 ARG A 105 -21.741 0.359 -6.310 1.00 5.72 H new ATOM 0 HH21 ARG A 105 -23.649 -2.073 -4.564 1.00 6.82 H new ATOM 0 HH22 ARG A 105 -23.698 -0.544 -5.447 1.00 6.82 H new ATOM 1574 N HIS A 106 -14.910 -6.175 -3.550 1.00 1.82 N ATOM 1575 CA HIS A 106 -13.495 -6.124 -3.245 1.00 1.90 C ATOM 1576 C HIS A 106 -13.444 -6.386 -1.738 1.00 2.19 C ATOM 1577 O HIS A 106 -14.359 -7.017 -1.199 1.00 3.95 O ATOM 1578 CB HIS A 106 -12.779 -4.823 -3.678 1.00 2.23 C ATOM 1579 CG HIS A 106 -13.190 -3.542 -2.978 1.00 3.60 C ATOM 1580 ND1 HIS A 106 -12.619 -3.015 -1.836 1.00 4.40 N ATOM 1581 CD2 HIS A 106 -14.082 -2.611 -3.444 1.00 5.05 C ATOM 1582 CE1 HIS A 106 -13.187 -1.821 -1.607 1.00 5.83 C ATOM 1583 NE2 HIS A 106 -14.084 -1.529 -2.560 1.00 6.24 N ATOM 0 H HIS A 106 -15.374 -6.856 -2.949 1.00 1.82 H new ATOM 0 HA HIS A 106 -12.936 -6.862 -3.820 1.00 1.90 H new ATOM 0 HB2 HIS A 106 -11.708 -4.961 -3.529 1.00 2.23 H new ATOM 0 HB3 HIS A 106 -12.938 -4.690 -4.748 1.00 2.23 H new ATOM 0 HD1 HIS A 106 -11.895 -3.455 -1.268 1.00 4.40 H new ATOM 0 HD2 HIS A 106 -14.680 -2.699 -4.339 1.00 5.05 H new ATOM 0 HE1 HIS A 106 -12.953 -1.182 -0.769 1.00 5.83 H new ATOM 1591 N ALA A 107 -12.406 -5.896 -1.068 1.00 1.56 N ATOM 1592 CA ALA A 107 -12.121 -6.075 0.338 1.00 2.40 C ATOM 1593 C ALA A 107 -10.912 -5.180 0.636 1.00 1.93 C ATOM 1594 O ALA A 107 -10.657 -4.275 -0.169 1.00 2.17 O ATOM 1595 CB ALA A 107 -11.863 -7.569 0.561 1.00 3.79 C ATOM 0 H ALA A 107 -11.698 -5.326 -1.531 1.00 1.56 H new ATOM 0 HA ALA A 107 -12.929 -5.790 1.011 1.00 2.40 H new ATOM 0 HB1 ALA A 107 -11.643 -7.747 1.614 1.00 3.79 H new ATOM 0 HB2 ALA A 107 -12.747 -8.138 0.274 1.00 3.79 H new ATOM 0 HB3 ALA A 107 -11.015 -7.886 -0.045 1.00 3.79 H new ATOM 1601 N VAL A 108 -10.153 -5.420 1.711 1.00 1.48 N ATOM 1602 CA VAL A 108 -8.854 -4.778 1.917 1.00 1.18 C ATOM 1603 C VAL A 108 -7.759 -5.803 2.204 1.00 1.11 C ATOM 1604 O VAL A 108 -8.034 -6.891 2.709 1.00 1.31 O ATOM 1605 CB VAL A 108 -8.912 -3.747 3.055 1.00 0.98 C ATOM 1606 CG1 VAL A 108 -9.616 -2.478 2.592 1.00 1.26 C ATOM 1607 CG2 VAL A 108 -9.593 -4.308 4.305 1.00 1.07 C ATOM 0 H VAL A 108 -10.421 -6.061 2.458 1.00 1.48 H new ATOM 0 HA VAL A 108 -8.609 -4.261 0.989 1.00 1.18 H new ATOM 0 HB VAL A 108 -7.884 -3.505 3.324 1.00 0.98 H new ATOM 0 HG11 VAL A 108 -9.647 -1.760 3.411 1.00 1.26 H new ATOM 0 HG12 VAL A 108 -9.072 -2.046 1.752 1.00 1.26 H new ATOM 0 HG13 VAL A 108 -10.633 -2.719 2.281 1.00 1.26 H new ATOM 0 HG21 VAL A 108 -9.611 -3.545 5.083 1.00 1.07 H new ATOM 0 HG22 VAL A 108 -10.614 -4.603 4.062 1.00 1.07 H new ATOM 0 HG23 VAL A 108 -9.040 -5.177 4.662 1.00 1.07 H new ATOM 1617 N ILE A 109 -6.505 -5.425 1.926 1.00 1.01 N ATOM 1618 CA ILE A 109 -5.355 -6.053 2.554 1.00 0.96 C ATOM 1619 C ILE A 109 -5.138 -5.404 3.921 1.00 0.83 C ATOM 1620 O ILE A 109 -5.565 -4.268 4.135 1.00 0.92 O ATOM 1621 CB ILE A 109 -4.081 -5.941 1.691 1.00 1.17 C ATOM 1622 CG1 ILE A 109 -3.461 -4.539 1.793 1.00 2.23 C ATOM 1623 CG2 ILE A 109 -4.338 -6.334 0.230 1.00 1.75 C ATOM 1624 CD1 ILE A 109 -2.315 -4.350 0.808 1.00 2.41 C ATOM 0 H ILE A 109 -6.269 -4.684 1.266 1.00 1.01 H new ATOM 0 HA ILE A 109 -5.557 -7.118 2.666 1.00 0.96 H new ATOM 0 HB ILE A 109 -3.360 -6.655 2.090 1.00 1.17 H new ATOM 0 HG12 ILE A 109 -4.229 -3.788 1.605 1.00 2.23 H new ATOM 0 HG13 ILE A 109 -3.098 -4.376 2.808 1.00 2.23 H new ATOM 0 HG21 ILE A 109 -3.414 -6.240 -0.340 1.00 1.75 H new ATOM 0 HG22 ILE A 109 -4.688 -7.365 0.187 1.00 1.75 H new ATOM 0 HG23 ILE A 109 -5.095 -5.676 -0.196 1.00 1.75 H new ATOM 0 HD11 ILE A 109 -1.906 -3.345 0.914 1.00 2.41 H new ATOM 0 HD12 ILE A 109 -1.535 -5.083 1.013 1.00 2.41 H new ATOM 0 HD13 ILE A 109 -2.683 -4.486 -0.209 1.00 2.41 H new ATOM 1636 N SER A 110 -4.432 -6.104 4.812 1.00 0.84 N ATOM 1637 CA SER A 110 -4.061 -5.629 6.138 1.00 0.85 C ATOM 1638 C SER A 110 -2.588 -5.978 6.381 1.00 0.95 C ATOM 1639 O SER A 110 -2.297 -6.860 7.187 1.00 1.48 O ATOM 1640 CB SER A 110 -4.988 -6.287 7.171 1.00 0.94 C ATOM 1641 OG SER A 110 -4.600 -5.950 8.487 1.00 1.89 O ATOM 0 H SER A 110 -4.094 -7.047 4.620 1.00 0.84 H new ATOM 0 HA SER A 110 -4.174 -4.548 6.225 1.00 0.85 H new ATOM 0 HB2 SER A 110 -6.016 -5.968 6.998 1.00 0.94 H new ATOM 0 HB3 SER A 110 -4.966 -7.370 7.047 1.00 0.94 H new ATOM 0 HG SER A 110 -3.682 -6.253 8.645 1.00 1.89 H new ATOM 1647 N GLY A 111 -1.667 -5.332 5.660 1.00 0.63 N ATOM 1648 CA GLY A 111 -0.258 -5.708 5.683 1.00 0.67 C ATOM 1649 C GLY A 111 0.517 -5.017 6.807 1.00 0.61 C ATOM 1650 O GLY A 111 0.023 -4.073 7.426 1.00 0.74 O ATOM 0 H GLY A 111 -1.878 -4.542 5.051 1.00 0.63 H new ATOM 0 HA2 GLY A 111 -0.176 -6.788 5.801 1.00 0.67 H new ATOM 0 HA3 GLY A 111 0.197 -5.457 4.725 1.00 0.67 H new ATOM 1654 N SER A 112 1.751 -5.472 7.045 1.00 0.63 N ATOM 1655 CA SER A 112 2.737 -4.798 7.876 1.00 0.55 C ATOM 1656 C SER A 112 3.746 -4.072 6.983 1.00 0.44 C ATOM 1657 O SER A 112 3.834 -4.360 5.785 1.00 0.53 O ATOM 1658 CB SER A 112 3.429 -5.816 8.786 1.00 0.73 C ATOM 1659 OG SER A 112 3.912 -6.906 8.031 1.00 2.12 O ATOM 0 H SER A 112 2.096 -6.347 6.650 1.00 0.63 H new ATOM 0 HA SER A 112 2.247 -4.059 8.509 1.00 0.55 H new ATOM 0 HB2 SER A 112 4.254 -5.338 9.315 1.00 0.73 H new ATOM 0 HB3 SER A 112 2.729 -6.172 9.542 1.00 0.73 H new ATOM 0 HG SER A 112 4.801 -7.161 8.356 1.00 2.12 H new ATOM 1665 N VAL A 113 4.503 -3.128 7.551 1.00 0.43 N ATOM 1666 CA VAL A 113 5.593 -2.463 6.852 1.00 0.41 C ATOM 1667 C VAL A 113 6.869 -2.584 7.676 1.00 0.45 C ATOM 1668 O VAL A 113 6.817 -2.497 8.900 1.00 0.58 O ATOM 1669 CB VAL A 113 5.264 -0.994 6.512 1.00 0.50 C ATOM 1670 CG1 VAL A 113 3.760 -0.699 6.459 1.00 0.67 C ATOM 1671 CG2 VAL A 113 5.961 0.027 7.413 1.00 0.77 C ATOM 0 H VAL A 113 4.372 -2.807 8.510 1.00 0.43 H new ATOM 0 HA VAL A 113 5.742 -2.960 5.894 1.00 0.41 H new ATOM 0 HB VAL A 113 5.669 -0.875 5.507 1.00 0.50 H new ATOM 0 HG11 VAL A 113 3.604 0.352 6.215 1.00 0.67 H new ATOM 0 HG12 VAL A 113 3.294 -1.322 5.696 1.00 0.67 H new ATOM 0 HG13 VAL A 113 3.312 -0.917 7.429 1.00 0.67 H new ATOM 0 HG21 VAL A 113 5.677 1.034 7.109 1.00 0.77 H new ATOM 0 HG22 VAL A 113 5.662 -0.137 8.448 1.00 0.77 H new ATOM 0 HG23 VAL A 113 7.041 -0.088 7.325 1.00 0.77 H new ATOM 1681 N LEU A 114 8.000 -2.721 6.985 1.00 0.57 N ATOM 1682 CA LEU A 114 9.339 -2.662 7.536 1.00 0.68 C ATOM 1683 C LEU A 114 9.918 -1.295 7.212 1.00 0.69 C ATOM 1684 O LEU A 114 10.186 -0.960 6.059 1.00 0.77 O ATOM 1685 CB LEU A 114 10.171 -3.807 6.966 1.00 0.89 C ATOM 1686 CG LEU A 114 11.701 -3.651 7.009 1.00 0.89 C ATOM 1687 CD1 LEU A 114 12.329 -4.877 7.672 1.00 1.55 C ATOM 1688 CD2 LEU A 114 12.234 -3.529 5.572 1.00 2.04 C ATOM 0 H LEU A 114 7.999 -2.884 5.978 1.00 0.57 H new ATOM 0 HA LEU A 114 9.336 -2.784 8.619 1.00 0.68 H new ATOM 0 HB2 LEU A 114 9.909 -4.717 7.506 1.00 0.89 H new ATOM 0 HB3 LEU A 114 9.875 -3.956 5.927 1.00 0.89 H new ATOM 0 HG LEU A 114 11.957 -2.759 7.581 1.00 0.89 H new ATOM 0 HD11 LEU A 114 13.412 -4.761 7.700 1.00 1.55 H new ATOM 0 HD12 LEU A 114 11.949 -4.976 8.689 1.00 1.55 H new ATOM 0 HD13 LEU A 114 12.074 -5.770 7.101 1.00 1.55 H new ATOM 0 HD21 LEU A 114 13.318 -3.418 5.594 1.00 2.04 H new ATOM 0 HD22 LEU A 114 11.972 -4.425 5.010 1.00 2.04 H new ATOM 0 HD23 LEU A 114 11.790 -2.657 5.092 1.00 2.04 H new ATOM 1700 N TYR A 115 10.159 -0.531 8.270 1.00 0.83 N ATOM 1701 CA TYR A 115 10.889 0.721 8.227 1.00 1.03 C ATOM 1702 C TYR A 115 12.370 0.368 8.177 1.00 0.99 C ATOM 1703 O TYR A 115 13.068 0.480 9.182 1.00 1.16 O ATOM 1704 CB TYR A 115 10.493 1.544 9.457 1.00 1.33 C ATOM 1705 CG TYR A 115 11.096 2.927 9.547 1.00 1.81 C ATOM 1706 CD1 TYR A 115 10.345 4.029 9.102 1.00 3.26 C ATOM 1707 CD2 TYR A 115 12.259 3.136 10.315 1.00 2.24 C ATOM 1708 CE1 TYR A 115 10.690 5.322 9.518 1.00 4.07 C ATOM 1709 CE2 TYR A 115 12.622 4.435 10.699 1.00 3.06 C ATOM 1710 CZ TYR A 115 11.830 5.521 10.309 1.00 3.69 C ATOM 1711 OH TYR A 115 11.995 6.701 10.956 1.00 4.57 O ATOM 0 H TYR A 115 9.841 -0.776 9.207 1.00 0.83 H new ATOM 0 HA TYR A 115 10.659 1.331 7.353 1.00 1.03 H new ATOM 0 HB2 TYR A 115 9.407 1.640 9.472 1.00 1.33 H new ATOM 0 HB3 TYR A 115 10.776 0.986 10.350 1.00 1.33 H new ATOM 0 HD1 TYR A 115 9.504 3.879 8.441 1.00 3.26 H new ATOM 0 HD2 TYR A 115 12.871 2.296 10.608 1.00 2.24 H new ATOM 0 HE1 TYR A 115 10.078 6.164 9.230 1.00 4.07 H new ATOM 0 HE2 TYR A 115 13.509 4.597 11.293 1.00 3.06 H new ATOM 0 HH TYR A 115 11.236 7.290 10.762 1.00 4.57 H new ATOM 1721 N ASN A 116 12.810 -0.143 7.022 1.00 0.90 N ATOM 1722 CA ASN A 116 14.185 -0.507 6.681 1.00 0.97 C ATOM 1723 C ASN A 116 14.754 -1.626 7.570 1.00 0.80 C ATOM 1724 O ASN A 116 15.046 -2.717 7.093 1.00 0.87 O ATOM 1725 CB ASN A 116 15.066 0.749 6.647 1.00 1.33 C ATOM 1726 CG ASN A 116 16.303 0.563 5.774 1.00 2.00 C ATOM 1727 OD1 ASN A 116 16.843 -0.532 5.663 1.00 2.71 O ATOM 1728 ND2 ASN A 116 16.751 1.627 5.111 1.00 2.75 N ATOM 0 H ASN A 116 12.169 -0.325 6.250 1.00 0.90 H new ATOM 0 HA ASN A 116 14.180 -0.938 5.680 1.00 0.97 H new ATOM 0 HB2 ASN A 116 14.482 1.590 6.272 1.00 1.33 H new ATOM 0 HB3 ASN A 116 15.374 1.002 7.661 1.00 1.33 H new ATOM 0 HD21 ASN A 116 17.560 1.541 4.495 1.00 2.75 H new ATOM 0 HD22 ASN A 116 16.286 2.528 5.219 1.00 2.75 H new ATOM 1735 N GLN A 117 14.876 -1.376 8.875 1.00 0.84 N ATOM 1736 CA GLN A 117 15.198 -2.358 9.897 1.00 0.94 C ATOM 1737 C GLN A 117 13.945 -2.815 10.661 1.00 0.94 C ATOM 1738 O GLN A 117 13.938 -3.915 11.206 1.00 1.23 O ATOM 1739 CB GLN A 117 16.189 -1.755 10.907 1.00 1.38 C ATOM 1740 CG GLN A 117 17.502 -1.242 10.293 1.00 1.44 C ATOM 1741 CD GLN A 117 17.372 0.081 9.537 1.00 1.42 C ATOM 1742 OE1 GLN A 117 17.877 0.222 8.430 1.00 2.33 O ATOM 1743 NE2 GLN A 117 16.708 1.076 10.118 1.00 2.16 N ATOM 0 H GLN A 117 14.746 -0.440 9.259 1.00 0.84 H new ATOM 0 HA GLN A 117 15.637 -3.219 9.393 1.00 0.94 H new ATOM 0 HB2 GLN A 117 15.700 -0.931 11.426 1.00 1.38 H new ATOM 0 HB3 GLN A 117 16.425 -2.509 11.658 1.00 1.38 H new ATOM 0 HG2 GLN A 117 18.238 -1.121 11.088 1.00 1.44 H new ATOM 0 HG3 GLN A 117 17.890 -1.999 9.612 1.00 1.44 H new ATOM 0 HE21 GLN A 117 16.293 0.942 11.040 1.00 2.16 H new ATOM 0 HE22 GLN A 117 16.613 1.973 9.641 1.00 2.16 H new ATOM 1752 N ALA A 118 12.933 -1.947 10.802 1.00 0.96 N ATOM 1753 CA ALA A 118 12.025 -1.992 11.950 1.00 1.14 C ATOM 1754 C ALA A 118 10.569 -2.194 11.533 1.00 0.95 C ATOM 1755 O ALA A 118 9.936 -1.280 11.005 1.00 1.25 O ATOM 1756 CB ALA A 118 12.186 -0.701 12.760 1.00 1.47 C ATOM 0 H ALA A 118 12.725 -1.206 10.133 1.00 0.96 H new ATOM 0 HA ALA A 118 12.290 -2.853 12.564 1.00 1.14 H new ATOM 0 HB1 ALA A 118 11.514 -0.724 13.618 1.00 1.47 H new ATOM 0 HB2 ALA A 118 13.216 -0.616 13.108 1.00 1.47 H new ATOM 0 HB3 ALA A 118 11.943 0.156 12.131 1.00 1.47 H new ATOM 1762 N GLU A 119 10.005 -3.373 11.810 1.00 0.81 N ATOM 1763 CA GLU A 119 8.619 -3.669 11.472 1.00 0.88 C ATOM 1764 C GLU A 119 7.653 -3.124 12.536 1.00 0.90 C ATOM 1765 O GLU A 119 6.884 -3.886 13.121 1.00 1.52 O ATOM 1766 CB GLU A 119 8.466 -5.182 11.231 1.00 1.29 C ATOM 1767 CG GLU A 119 7.195 -5.516 10.431 1.00 1.63 C ATOM 1768 CD GLU A 119 6.983 -7.015 10.246 1.00 2.38 C ATOM 1769 OE1 GLU A 119 7.803 -7.786 10.787 1.00 3.05 O ATOM 1770 OE2 GLU A 119 5.991 -7.361 9.566 1.00 3.11 O ATOM 0 H GLU A 119 10.495 -4.140 12.271 1.00 0.81 H new ATOM 0 HA GLU A 119 8.350 -3.157 10.548 1.00 0.88 H new ATOM 0 HB2 GLU A 119 9.339 -5.553 10.695 1.00 1.29 H new ATOM 0 HB3 GLU A 119 8.437 -5.700 12.190 1.00 1.29 H new ATOM 0 HG2 GLU A 119 6.330 -5.093 10.941 1.00 1.63 H new ATOM 0 HG3 GLU A 119 7.253 -5.039 9.452 1.00 1.63 H new ATOM 1777 N LYS A 120 7.653 -1.804 12.782 1.00 0.58 N ATOM 1778 CA LYS A 120 6.636 -1.146 13.598 1.00 0.73 C ATOM 1779 C LYS A 120 5.794 -0.261 12.703 1.00 0.71 C ATOM 1780 O LYS A 120 5.734 0.960 12.835 1.00 1.05 O ATOM 1781 CB LYS A 120 7.253 -0.427 14.803 1.00 1.10 C ATOM 1782 CG LYS A 120 7.888 -1.422 15.781 1.00 1.65 C ATOM 1783 CD LYS A 120 6.975 -2.576 16.193 1.00 1.89 C ATOM 1784 CE LYS A 120 5.695 -2.161 16.933 1.00 2.59 C ATOM 1785 NZ LYS A 120 4.842 -3.332 17.233 1.00 3.08 N ATOM 0 H LYS A 120 8.362 -1.168 12.417 1.00 0.58 H new ATOM 0 HA LYS A 120 5.970 -1.885 14.044 1.00 0.73 H new ATOM 0 HB2 LYS A 120 8.008 0.280 14.460 1.00 1.10 H new ATOM 0 HB3 LYS A 120 6.485 0.151 15.317 1.00 1.10 H new ATOM 0 HG2 LYS A 120 8.790 -1.833 15.327 1.00 1.65 H new ATOM 0 HG3 LYS A 120 8.199 -0.884 16.676 1.00 1.65 H new ATOM 0 HD2 LYS A 120 6.695 -3.134 15.300 1.00 1.89 H new ATOM 0 HD3 LYS A 120 7.540 -3.256 16.830 1.00 1.89 H new ATOM 0 HE2 LYS A 120 5.958 -1.653 17.861 1.00 2.59 H new ATOM 0 HE3 LYS A 120 5.137 -1.448 16.326 1.00 2.59 H new ATOM 0 HZ1 LYS A 120 3.986 -3.019 17.733 1.00 3.08 H new ATOM 0 HZ2 LYS A 120 4.572 -3.802 16.345 1.00 3.08 H new ATOM 0 HZ3 LYS A 120 5.368 -4.000 17.832 1.00 3.08 H new ATOM 1799 N GLY A 121 5.100 -0.942 11.802 1.00 0.50 N ATOM 1800 CA GLY A 121 4.057 -0.319 11.017 1.00 0.50 C ATOM 1801 C GLY A 121 3.065 -1.336 10.485 1.00 0.39 C ATOM 1802 O GLY A 121 3.453 -2.438 10.095 1.00 0.50 O ATOM 0 H GLY A 121 5.246 -1.931 11.600 1.00 0.50 H new ATOM 0 HA2 GLY A 121 3.532 0.415 11.628 1.00 0.50 H new ATOM 0 HA3 GLY A 121 4.504 0.222 10.183 1.00 0.50 H new ATOM 1806 N SER A 122 1.795 -0.940 10.457 1.00 0.53 N ATOM 1807 CA SER A 122 0.691 -1.679 9.871 1.00 0.58 C ATOM 1808 C SER A 122 0.041 -0.803 8.809 1.00 0.51 C ATOM 1809 O SER A 122 0.213 0.415 8.834 1.00 0.56 O ATOM 1810 CB SER A 122 -0.295 -2.086 10.971 1.00 0.75 C ATOM 1811 OG SER A 122 -0.325 -1.139 12.029 1.00 0.94 O ATOM 0 H SER A 122 1.499 -0.052 10.863 1.00 0.53 H new ATOM 0 HA SER A 122 1.039 -2.596 9.396 1.00 0.58 H new ATOM 0 HB2 SER A 122 -1.293 -2.187 10.545 1.00 0.75 H new ATOM 0 HB3 SER A 122 -0.016 -3.063 11.366 1.00 0.75 H new ATOM 0 HG SER A 122 -1.242 -0.818 12.155 1.00 0.94 H new ATOM 1817 N TYR A 123 -0.688 -1.395 7.862 1.00 0.61 N ATOM 1818 CA TYR A 123 -1.480 -0.615 6.931 1.00 0.75 C ATOM 1819 C TYR A 123 -2.642 -1.410 6.363 1.00 0.65 C ATOM 1820 O TYR A 123 -2.633 -2.640 6.360 1.00 0.64 O ATOM 1821 CB TYR A 123 -0.616 -0.024 5.810 1.00 0.98 C ATOM 1822 CG TYR A 123 -0.193 -0.993 4.735 1.00 1.05 C ATOM 1823 CD1 TYR A 123 -0.619 -0.791 3.410 1.00 1.61 C ATOM 1824 CD2 TYR A 123 0.710 -2.026 5.035 1.00 2.69 C ATOM 1825 CE1 TYR A 123 -0.110 -1.599 2.384 1.00 2.18 C ATOM 1826 CE2 TYR A 123 1.189 -2.857 4.014 1.00 3.45 C ATOM 1827 CZ TYR A 123 0.779 -2.644 2.690 1.00 2.81 C ATOM 1828 OH TYR A 123 1.318 -3.400 1.697 1.00 3.72 O ATOM 0 H TYR A 123 -0.742 -2.404 7.726 1.00 0.61 H new ATOM 0 HA TYR A 123 -1.902 0.214 7.499 1.00 0.75 H new ATOM 0 HB2 TYR A 123 -1.167 0.792 5.342 1.00 0.98 H new ATOM 0 HB3 TYR A 123 0.279 0.410 6.256 1.00 0.98 H new ATOM 0 HD1 TYR A 123 -1.336 -0.016 3.184 1.00 1.61 H new ATOM 0 HD2 TYR A 123 1.035 -2.180 6.053 1.00 2.69 H new ATOM 0 HE1 TYR A 123 -0.400 -1.419 1.360 1.00 2.18 H new ATOM 0 HE2 TYR A 123 1.873 -3.660 4.246 1.00 3.45 H new ATOM 0 HH TYR A 123 1.898 -4.087 2.087 1.00 3.72 H new ATOM 1838 N SER A 124 -3.631 -0.669 5.873 1.00 0.67 N ATOM 1839 CA SER A 124 -4.859 -1.159 5.291 1.00 0.69 C ATOM 1840 C SER A 124 -4.909 -0.600 3.874 1.00 0.61 C ATOM 1841 O SER A 124 -4.592 0.578 3.693 1.00 0.72 O ATOM 1842 CB SER A 124 -6.032 -0.660 6.142 1.00 0.82 C ATOM 1843 OG SER A 124 -5.967 0.744 6.341 1.00 1.90 O ATOM 0 H SER A 124 -3.586 0.350 5.876 1.00 0.67 H new ATOM 0 HA SER A 124 -4.914 -2.247 5.261 1.00 0.69 H new ATOM 0 HB2 SER A 124 -6.972 -0.917 5.654 1.00 0.82 H new ATOM 0 HB3 SER A 124 -6.025 -1.167 7.107 1.00 0.82 H new ATOM 0 HG SER A 124 -5.045 1.002 6.551 1.00 1.90 H new ATOM 1849 N LEU A 125 -5.252 -1.417 2.872 1.00 0.76 N ATOM 1850 CA LEU A 125 -5.298 -0.926 1.495 1.00 0.77 C ATOM 1851 C LEU A 125 -6.318 -1.688 0.637 1.00 0.81 C ATOM 1852 O LEU A 125 -6.411 -2.913 0.681 1.00 0.91 O ATOM 1853 CB LEU A 125 -3.864 -0.860 0.937 1.00 0.73 C ATOM 1854 CG LEU A 125 -3.659 -0.459 -0.527 1.00 0.75 C ATOM 1855 CD1 LEU A 125 -3.824 -1.650 -1.470 1.00 0.97 C ATOM 1856 CD2 LEU A 125 -4.429 0.784 -0.975 1.00 0.83 C ATOM 0 H LEU A 125 -5.497 -2.401 2.986 1.00 0.76 H new ATOM 0 HA LEU A 125 -5.683 0.093 1.469 1.00 0.77 H new ATOM 0 HB2 LEU A 125 -3.302 -0.158 1.553 1.00 0.73 H new ATOM 0 HB3 LEU A 125 -3.410 -1.841 1.077 1.00 0.73 H new ATOM 0 HG LEU A 125 -2.619 -0.140 -0.591 1.00 0.75 H new ATOM 0 HD11 LEU A 125 -3.671 -1.324 -2.499 1.00 0.97 H new ATOM 0 HD12 LEU A 125 -3.091 -2.417 -1.220 1.00 0.97 H new ATOM 0 HD13 LEU A 125 -4.828 -2.061 -1.365 1.00 0.97 H new ATOM 0 HD21 LEU A 125 -4.217 0.984 -2.025 1.00 0.83 H new ATOM 0 HD22 LEU A 125 -5.498 0.616 -0.846 1.00 0.83 H new ATOM 0 HD23 LEU A 125 -4.121 1.639 -0.373 1.00 0.83 H new ATOM 1868 N GLY A 126 -7.086 -0.920 -0.133 1.00 0.76 N ATOM 1869 CA GLY A 126 -8.220 -1.265 -0.983 1.00 0.69 C ATOM 1870 C GLY A 126 -7.812 -1.544 -2.430 1.00 1.33 C ATOM 1871 O GLY A 126 -6.628 -1.663 -2.757 1.00 2.50 O ATOM 0 H GLY A 126 -6.903 0.082 -0.180 1.00 0.76 H new ATOM 0 HA2 GLY A 126 -8.720 -2.144 -0.575 1.00 0.69 H new ATOM 0 HA3 GLY A 126 -8.943 -0.450 -0.965 1.00 0.69 H new ATOM 1875 N ILE A 127 -8.797 -1.771 -3.303 1.00 0.96 N ATOM 1876 CA ILE A 127 -8.646 -1.519 -4.728 1.00 1.05 C ATOM 1877 C ILE A 127 -9.931 -0.820 -5.177 1.00 0.96 C ATOM 1878 O ILE A 127 -10.980 -1.104 -4.603 1.00 0.92 O ATOM 1879 CB ILE A 127 -8.351 -2.843 -5.459 1.00 1.29 C ATOM 1880 CG1 ILE A 127 -7.468 -2.666 -6.705 1.00 1.63 C ATOM 1881 CG2 ILE A 127 -9.607 -3.672 -5.740 1.00 1.53 C ATOM 1882 CD1 ILE A 127 -8.217 -2.463 -8.014 1.00 2.13 C ATOM 0 H ILE A 127 -9.714 -2.132 -3.039 1.00 0.96 H new ATOM 0 HA ILE A 127 -7.801 -0.872 -4.966 1.00 1.05 H new ATOM 0 HB ILE A 127 -7.759 -3.429 -4.756 1.00 1.29 H new ATOM 0 HG12 ILE A 127 -6.812 -1.810 -6.545 1.00 1.63 H new ATOM 0 HG13 ILE A 127 -6.829 -3.544 -6.804 1.00 1.63 H new ATOM 0 HG21 ILE A 127 -9.329 -4.591 -6.256 1.00 1.53 H new ATOM 0 HG22 ILE A 127 -10.098 -3.919 -4.799 1.00 1.53 H new ATOM 0 HG23 ILE A 127 -10.290 -3.097 -6.365 1.00 1.53 H new ATOM 0 HD11 ILE A 127 -7.502 -2.349 -8.829 1.00 2.13 H new ATOM 0 HD12 ILE A 127 -8.852 -3.327 -8.208 1.00 2.13 H new ATOM 0 HD13 ILE A 127 -8.834 -1.567 -7.945 1.00 2.13 H new ATOM 1894 N PHE A 128 -9.845 0.108 -6.139 1.00 1.07 N ATOM 1895 CA PHE A 128 -10.947 0.962 -6.584 1.00 1.00 C ATOM 1896 C PHE A 128 -12.325 0.301 -6.640 1.00 1.69 C ATOM 1897 O PHE A 128 -13.320 0.898 -6.244 1.00 3.34 O ATOM 1898 CB PHE A 128 -10.632 1.532 -7.972 1.00 2.89 C ATOM 1899 CG PHE A 128 -11.384 2.809 -8.284 1.00 3.55 C ATOM 1900 CD1 PHE A 128 -12.380 2.844 -9.277 1.00 4.55 C ATOM 1901 CD2 PHE A 128 -11.141 3.955 -7.508 1.00 4.17 C ATOM 1902 CE1 PHE A 128 -13.093 4.032 -9.522 1.00 5.47 C ATOM 1903 CE2 PHE A 128 -11.830 5.151 -7.768 1.00 5.38 C ATOM 1904 CZ PHE A 128 -12.804 5.191 -8.780 1.00 5.77 C ATOM 0 H PHE A 128 -8.977 0.289 -6.643 1.00 1.07 H new ATOM 0 HA PHE A 128 -11.016 1.735 -5.818 1.00 1.00 H new ATOM 0 HB2 PHE A 128 -9.561 1.723 -8.043 1.00 2.89 H new ATOM 0 HB3 PHE A 128 -10.873 0.784 -8.727 1.00 2.89 H new ATOM 0 HD1 PHE A 128 -12.598 1.957 -9.853 1.00 4.55 H new ATOM 0 HD2 PHE A 128 -10.419 3.916 -6.706 1.00 4.17 H new ATOM 0 HE1 PHE A 128 -13.862 4.054 -10.280 1.00 5.47 H new ATOM 0 HE2 PHE A 128 -11.612 6.038 -7.191 1.00 5.38 H new ATOM 0 HZ PHE A 128 -13.330 6.111 -8.988 1.00 5.77 H new ATOM 1914 N GLY A 129 -12.392 -0.897 -7.226 1.00 2.48 N ATOM 1915 CA GLY A 129 -13.660 -1.548 -7.498 1.00 3.58 C ATOM 1916 C GLY A 129 -14.389 -0.901 -8.678 1.00 2.44 C ATOM 1917 O GLY A 129 -15.612 -0.789 -8.660 1.00 3.25 O ATOM 0 H GLY A 129 -11.575 -1.432 -7.520 1.00 2.48 H new ATOM 0 HA2 GLY A 129 -13.489 -2.603 -7.711 1.00 3.58 H new ATOM 0 HA3 GLY A 129 -14.291 -1.500 -6.610 1.00 3.58 H new ATOM 1921 N GLY A 130 -13.644 -0.493 -9.717 1.00 1.20 N ATOM 1922 CA GLY A 130 -14.218 -0.138 -11.009 1.00 1.62 C ATOM 1923 C GLY A 130 -13.298 -0.647 -12.114 1.00 1.63 C ATOM 1924 O GLY A 130 -13.661 -1.549 -12.862 1.00 2.37 O ATOM 0 H GLY A 130 -12.629 -0.402 -9.678 1.00 1.20 H new ATOM 0 HA2 GLY A 130 -15.211 -0.576 -11.114 1.00 1.62 H new ATOM 0 HA3 GLY A 130 -14.336 0.943 -11.085 1.00 1.62 H new ATOM 1928 N LYS A 131 -12.089 -0.080 -12.190 1.00 1.35 N ATOM 1929 CA LYS A 131 -11.019 -0.571 -13.056 1.00 1.32 C ATOM 1930 C LYS A 131 -9.667 -0.031 -12.560 1.00 1.21 C ATOM 1931 O LYS A 131 -8.877 0.522 -13.316 1.00 1.58 O ATOM 1932 CB LYS A 131 -11.336 -0.277 -14.540 1.00 1.52 C ATOM 1933 CG LYS A 131 -11.394 1.218 -14.872 1.00 1.65 C ATOM 1934 CD LYS A 131 -12.176 1.526 -16.152 1.00 2.11 C ATOM 1935 CE LYS A 131 -12.087 3.038 -16.425 1.00 2.60 C ATOM 1936 NZ LYS A 131 -12.783 3.437 -17.664 1.00 3.59 N ATOM 0 H LYS A 131 -11.826 0.741 -11.645 1.00 1.35 H new ATOM 0 HA LYS A 131 -10.947 -1.657 -13.000 1.00 1.32 H new ATOM 0 HB2 LYS A 131 -10.579 -0.750 -15.165 1.00 1.52 H new ATOM 0 HB3 LYS A 131 -12.292 -0.735 -14.796 1.00 1.52 H new ATOM 0 HG2 LYS A 131 -11.852 1.750 -14.038 1.00 1.65 H new ATOM 0 HG3 LYS A 131 -10.378 1.600 -14.975 1.00 1.65 H new ATOM 0 HD2 LYS A 131 -11.766 0.964 -16.991 1.00 2.11 H new ATOM 0 HD3 LYS A 131 -13.217 1.221 -16.043 1.00 2.11 H new ATOM 0 HE2 LYS A 131 -12.515 3.581 -15.582 1.00 2.60 H new ATOM 0 HE3 LYS A 131 -11.039 3.329 -16.492 1.00 2.60 H new ATOM 0 HZ1 LYS A 131 -12.691 4.464 -17.798 1.00 3.59 H new ATOM 0 HZ2 LYS A 131 -12.359 2.942 -18.475 1.00 3.59 H new ATOM 0 HZ3 LYS A 131 -13.790 3.186 -17.593 1.00 3.59 H new ATOM 1950 N ALA A 132 -9.424 -0.162 -11.251 1.00 0.94 N ATOM 1951 CA ALA A 132 -8.167 0.125 -10.574 1.00 0.85 C ATOM 1952 C ALA A 132 -7.758 1.583 -10.774 1.00 0.93 C ATOM 1953 O ALA A 132 -6.613 1.861 -11.108 1.00 1.43 O ATOM 1954 CB ALA A 132 -7.081 -0.841 -11.074 1.00 1.04 C ATOM 0 H ALA A 132 -10.143 -0.490 -10.605 1.00 0.94 H new ATOM 0 HA ALA A 132 -8.296 -0.025 -9.502 1.00 0.85 H new ATOM 0 HB1 ALA A 132 -6.141 -0.625 -10.567 1.00 1.04 H new ATOM 0 HB2 ALA A 132 -7.381 -1.867 -10.861 1.00 1.04 H new ATOM 0 HB3 ALA A 132 -6.950 -0.716 -12.149 1.00 1.04 H new ATOM 1960 N GLN A 133 -8.688 2.518 -10.566 1.00 0.72 N ATOM 1961 CA GLN A 133 -8.447 3.923 -10.855 1.00 0.79 C ATOM 1962 C GLN A 133 -7.627 4.557 -9.739 1.00 0.76 C ATOM 1963 O GLN A 133 -6.686 5.304 -10.001 1.00 0.94 O ATOM 1964 CB GLN A 133 -9.768 4.674 -11.063 1.00 0.97 C ATOM 1965 CG GLN A 133 -10.659 4.062 -12.153 1.00 1.12 C ATOM 1966 CD GLN A 133 -9.996 4.119 -13.524 1.00 2.10 C ATOM 1967 OE1 GLN A 133 -9.088 3.192 -13.808 1.00 2.45 O flip ATOM 1968 NE2 GLN A 133 -10.323 4.968 -14.347 1.00 3.34 N flip ATOM 0 H GLN A 133 -9.618 2.320 -10.196 1.00 0.72 H new ATOM 0 HA GLN A 133 -7.878 3.993 -11.782 1.00 0.79 H new ATOM 0 HB2 GLN A 133 -10.319 4.690 -10.122 1.00 0.97 H new ATOM 0 HB3 GLN A 133 -9.550 5.710 -11.323 1.00 0.97 H new ATOM 0 HG2 GLN A 133 -10.883 3.026 -11.900 1.00 1.12 H new ATOM 0 HG3 GLN A 133 -11.610 4.594 -12.187 1.00 1.12 H new ATOM 0 HE21 GLN A 133 -11.023 5.670 -14.105 1.00 3.34 H new ATOM 0 HE22 GLN A 133 -9.895 4.972 -15.273 1.00 3.34 H new ATOM 1977 N GLU A 134 -7.997 4.231 -8.499 1.00 0.72 N ATOM 1978 CA GLU A 134 -7.367 4.731 -7.294 1.00 0.83 C ATOM 1979 C GLU A 134 -7.304 3.572 -6.303 1.00 0.75 C ATOM 1980 O GLU A 134 -7.932 2.532 -6.521 1.00 1.24 O ATOM 1981 CB GLU A 134 -8.173 5.909 -6.727 1.00 1.08 C ATOM 1982 CG GLU A 134 -8.521 6.953 -7.802 1.00 1.18 C ATOM 1983 CD GLU A 134 -9.275 8.146 -7.234 1.00 1.60 C ATOM 1984 OE1 GLU A 134 -9.089 9.247 -7.795 1.00 2.32 O ATOM 1985 OE2 GLU A 134 -10.050 7.923 -6.280 1.00 2.64 O ATOM 0 H GLU A 134 -8.768 3.591 -8.309 1.00 0.72 H new ATOM 0 HA GLU A 134 -6.362 5.100 -7.498 1.00 0.83 H new ATOM 0 HB2 GLU A 134 -9.092 5.534 -6.278 1.00 1.08 H new ATOM 0 HB3 GLU A 134 -7.602 6.387 -5.931 1.00 1.08 H new ATOM 0 HG2 GLU A 134 -7.603 7.300 -8.277 1.00 1.18 H new ATOM 0 HG3 GLU A 134 -9.124 6.483 -8.579 1.00 1.18 H new ATOM 1992 N VAL A 135 -6.544 3.735 -5.221 1.00 0.71 N ATOM 1993 CA VAL A 135 -6.445 2.740 -4.170 1.00 0.66 C ATOM 1994 C VAL A 135 -6.534 3.477 -2.833 1.00 0.87 C ATOM 1995 O VAL A 135 -5.621 4.205 -2.453 1.00 1.40 O ATOM 1996 CB VAL A 135 -5.203 1.838 -4.352 1.00 0.64 C ATOM 1997 CG1 VAL A 135 -5.228 1.141 -5.716 1.00 0.71 C ATOM 1998 CG2 VAL A 135 -3.821 2.497 -4.269 1.00 0.82 C ATOM 0 H VAL A 135 -5.979 4.568 -5.054 1.00 0.71 H new ATOM 0 HA VAL A 135 -7.270 2.028 -4.209 1.00 0.66 H new ATOM 0 HB VAL A 135 -5.300 1.172 -3.495 1.00 0.64 H new ATOM 0 HG11 VAL A 135 -4.344 0.512 -5.820 1.00 0.71 H new ATOM 0 HG12 VAL A 135 -6.123 0.524 -5.793 1.00 0.71 H new ATOM 0 HG13 VAL A 135 -5.235 1.890 -6.507 1.00 0.71 H new ATOM 0 HG21 VAL A 135 -3.049 1.742 -4.415 1.00 0.82 H new ATOM 0 HG22 VAL A 135 -3.734 3.260 -5.043 1.00 0.82 H new ATOM 0 HG23 VAL A 135 -3.696 2.958 -3.289 1.00 0.82 H new ATOM 2008 N ALA A 136 -7.670 3.346 -2.145 1.00 0.80 N ATOM 2009 CA ALA A 136 -7.859 3.953 -0.838 1.00 0.98 C ATOM 2010 C ALA A 136 -7.162 3.073 0.196 1.00 0.83 C ATOM 2011 O ALA A 136 -7.289 1.849 0.141 1.00 0.83 O ATOM 2012 CB ALA A 136 -9.355 4.074 -0.538 1.00 1.30 C ATOM 0 H ALA A 136 -8.476 2.819 -2.480 1.00 0.80 H new ATOM 0 HA ALA A 136 -7.431 4.955 -0.810 1.00 0.98 H new ATOM 0 HB1 ALA A 136 -9.494 4.529 0.443 1.00 1.30 H new ATOM 0 HB2 ALA A 136 -9.829 4.696 -1.297 1.00 1.30 H new ATOM 0 HB3 ALA A 136 -9.809 3.083 -0.545 1.00 1.30 H new ATOM 2018 N GLY A 137 -6.408 3.673 1.116 1.00 0.84 N ATOM 2019 CA GLY A 137 -5.741 2.941 2.175 1.00 0.79 C ATOM 2020 C GLY A 137 -5.458 3.854 3.353 1.00 0.85 C ATOM 2021 O GLY A 137 -5.722 5.056 3.301 1.00 1.02 O ATOM 0 H GLY A 137 -6.247 4.680 1.142 1.00 0.84 H new ATOM 0 HA2 GLY A 137 -6.363 2.106 2.496 1.00 0.79 H new ATOM 0 HA3 GLY A 137 -4.808 2.519 1.802 1.00 0.79 H new ATOM 2025 N SER A 138 -4.905 3.286 4.419 1.00 0.77 N ATOM 2026 CA SER A 138 -4.353 4.027 5.538 1.00 0.87 C ATOM 2027 C SER A 138 -3.243 3.179 6.151 1.00 0.81 C ATOM 2028 O SER A 138 -3.507 2.060 6.596 1.00 1.09 O ATOM 2029 CB SER A 138 -5.455 4.342 6.556 1.00 1.08 C ATOM 2030 OG SER A 138 -6.352 5.300 6.023 1.00 1.70 O ATOM 0 H SER A 138 -4.828 2.275 4.528 1.00 0.77 H new ATOM 0 HA SER A 138 -3.941 4.982 5.211 1.00 0.87 H new ATOM 0 HB2 SER A 138 -5.995 3.431 6.813 1.00 1.08 H new ATOM 0 HB3 SER A 138 -5.012 4.720 7.477 1.00 1.08 H new ATOM 0 HG SER A 138 -6.206 5.383 5.058 1.00 1.70 H new ATOM 2036 N ALA A 139 -2.013 3.702 6.130 1.00 0.67 N ATOM 2037 CA ALA A 139 -0.868 3.153 6.836 1.00 0.55 C ATOM 2038 C ALA A 139 -0.639 3.899 8.144 1.00 0.52 C ATOM 2039 O ALA A 139 -0.882 5.100 8.215 1.00 0.64 O ATOM 2040 CB ALA A 139 0.373 3.214 5.939 1.00 0.70 C ATOM 0 H ALA A 139 -1.788 4.545 5.603 1.00 0.67 H new ATOM 0 HA ALA A 139 -1.066 2.109 7.080 1.00 0.55 H new ATOM 0 HB1 ALA A 139 1.229 2.801 6.473 1.00 0.70 H new ATOM 0 HB2 ALA A 139 0.196 2.634 5.033 1.00 0.70 H new ATOM 0 HB3 ALA A 139 0.578 4.251 5.672 1.00 0.70 H new ATOM 2046 N GLU A 140 -0.167 3.166 9.156 1.00 0.53 N ATOM 2047 CA GLU A 140 0.265 3.656 10.449 1.00 0.63 C ATOM 2048 C GLU A 140 1.644 3.081 10.765 1.00 0.68 C ATOM 2049 O GLU A 140 1.786 2.035 11.395 1.00 1.13 O ATOM 2050 CB GLU A 140 -0.772 3.357 11.532 1.00 0.84 C ATOM 2051 CG GLU A 140 -1.351 1.951 11.417 1.00 1.92 C ATOM 2052 CD GLU A 140 -2.090 1.548 12.682 1.00 2.37 C ATOM 2053 OE1 GLU A 140 -2.407 0.341 12.768 1.00 3.54 O ATOM 2054 OE2 GLU A 140 -2.293 2.444 13.539 1.00 2.55 O ATOM 0 H GLU A 140 -0.074 2.153 9.080 1.00 0.53 H new ATOM 0 HA GLU A 140 0.353 4.742 10.422 1.00 0.63 H new ATOM 0 HB2 GLU A 140 -0.313 3.478 12.513 1.00 0.84 H new ATOM 0 HB3 GLU A 140 -1.580 4.085 11.467 1.00 0.84 H new ATOM 0 HG2 GLU A 140 -2.031 1.905 10.567 1.00 1.92 H new ATOM 0 HG3 GLU A 140 -0.548 1.240 11.222 1.00 1.92 H new ATOM 2061 N VAL A 141 2.668 3.792 10.307 1.00 0.64 N ATOM 2062 CA VAL A 141 4.069 3.438 10.488 1.00 0.69 C ATOM 2063 C VAL A 141 4.635 4.287 11.622 1.00 0.74 C ATOM 2064 O VAL A 141 4.763 5.495 11.470 1.00 1.16 O ATOM 2065 CB VAL A 141 4.822 3.672 9.175 1.00 0.81 C ATOM 2066 CG1 VAL A 141 6.256 3.136 9.280 1.00 1.58 C ATOM 2067 CG2 VAL A 141 4.088 3.022 7.993 1.00 2.05 C ATOM 0 H VAL A 141 2.541 4.658 9.783 1.00 0.64 H new ATOM 0 HA VAL A 141 4.179 2.386 10.751 1.00 0.69 H new ATOM 0 HB VAL A 141 4.863 4.746 8.994 1.00 0.81 H new ATOM 0 HG11 VAL A 141 6.779 3.309 8.339 1.00 1.58 H new ATOM 0 HG12 VAL A 141 6.779 3.651 10.086 1.00 1.58 H new ATOM 0 HG13 VAL A 141 6.230 2.067 9.489 1.00 1.58 H new ATOM 0 HG21 VAL A 141 4.645 3.204 7.074 1.00 2.05 H new ATOM 0 HG22 VAL A 141 4.007 1.948 8.161 1.00 2.05 H new ATOM 0 HG23 VAL A 141 3.090 3.452 7.904 1.00 2.05 H new ATOM 2077 N LYS A 142 4.956 3.686 12.768 1.00 0.68 N ATOM 2078 CA LYS A 142 5.372 4.435 13.945 1.00 0.78 C ATOM 2079 C LYS A 142 6.828 4.124 14.273 1.00 0.91 C ATOM 2080 O LYS A 142 7.160 2.984 14.590 1.00 1.13 O ATOM 2081 CB LYS A 142 4.426 4.145 15.121 1.00 0.91 C ATOM 2082 CG LYS A 142 4.555 2.716 15.670 1.00 1.03 C ATOM 2083 CD LYS A 142 3.305 2.223 16.418 1.00 1.31 C ATOM 2084 CE LYS A 142 3.128 2.799 17.833 1.00 2.57 C ATOM 2085 NZ LYS A 142 2.807 4.241 17.842 1.00 3.56 N ATOM 0 H LYS A 142 4.934 2.675 12.902 1.00 0.68 H new ATOM 0 HA LYS A 142 5.309 5.504 13.742 1.00 0.78 H new ATOM 0 HB2 LYS A 142 4.628 4.854 15.924 1.00 0.91 H new ATOM 0 HB3 LYS A 142 3.398 4.311 14.800 1.00 0.91 H new ATOM 0 HG2 LYS A 142 4.764 2.037 14.843 1.00 1.03 H new ATOM 0 HG3 LYS A 142 5.411 2.671 16.343 1.00 1.03 H new ATOM 0 HD2 LYS A 142 2.424 2.473 15.827 1.00 1.31 H new ATOM 0 HD3 LYS A 142 3.346 1.136 16.486 1.00 1.31 H new ATOM 0 HE2 LYS A 142 2.333 2.254 18.343 1.00 2.57 H new ATOM 0 HE3 LYS A 142 4.043 2.634 18.402 1.00 2.57 H new ATOM 0 HZ1 LYS A 142 2.227 4.462 18.676 1.00 3.56 H new ATOM 0 HZ2 LYS A 142 3.688 4.793 17.877 1.00 3.56 H new ATOM 0 HZ3 LYS A 142 2.280 4.485 16.979 1.00 3.56 H new ATOM 2099 N THR A 143 7.691 5.139 14.260 1.00 1.01 N ATOM 2100 CA THR A 143 8.991 5.022 14.916 1.00 1.24 C ATOM 2101 C THR A 143 9.262 6.328 15.653 1.00 1.30 C ATOM 2102 O THR A 143 8.473 7.269 15.547 1.00 1.21 O ATOM 2103 CB THR A 143 10.126 4.692 13.927 1.00 1.42 C ATOM 2104 OG1 THR A 143 10.566 5.866 13.274 1.00 2.34 O ATOM 2105 CG2 THR A 143 9.742 3.611 12.913 1.00 1.80 C ATOM 0 H THR A 143 7.517 6.038 13.810 1.00 1.01 H new ATOM 0 HA THR A 143 8.963 4.188 15.617 1.00 1.24 H new ATOM 0 HB THR A 143 10.948 4.281 14.513 1.00 1.42 H new ATOM 0 HG1 THR A 143 10.984 5.628 12.420 1.00 2.34 H new ATOM 0 HG21 THR A 143 10.583 3.424 12.245 1.00 1.80 H new ATOM 0 HG22 THR A 143 9.486 2.692 13.440 1.00 1.80 H new ATOM 0 HG23 THR A 143 8.884 3.947 12.331 1.00 1.80 H new ATOM 2113 N VAL A 144 10.421 6.404 16.316 1.00 1.51 N ATOM 2114 CA VAL A 144 11.006 7.633 16.839 1.00 1.61 C ATOM 2115 C VAL A 144 10.912 8.796 15.842 1.00 1.50 C ATOM 2116 O VAL A 144 10.832 9.950 16.255 1.00 1.56 O ATOM 2117 CB VAL A 144 12.466 7.382 17.262 1.00 1.83 C ATOM 2118 CG1 VAL A 144 12.527 6.413 18.451 1.00 2.98 C ATOM 2119 CG2 VAL A 144 13.345 6.845 16.120 1.00 2.10 C ATOM 0 H VAL A 144 10.993 5.581 16.507 1.00 1.51 H new ATOM 0 HA VAL A 144 10.427 7.929 17.714 1.00 1.61 H new ATOM 0 HB VAL A 144 12.866 8.354 17.550 1.00 1.83 H new ATOM 0 HG11 VAL A 144 13.567 6.249 18.734 1.00 2.98 H new ATOM 0 HG12 VAL A 144 11.984 6.838 19.295 1.00 2.98 H new ATOM 0 HG13 VAL A 144 12.074 5.463 18.169 1.00 2.98 H new ATOM 0 HG21 VAL A 144 14.360 6.690 16.485 1.00 2.10 H new ATOM 0 HG22 VAL A 144 12.939 5.899 15.763 1.00 2.10 H new ATOM 0 HG23 VAL A 144 13.359 7.565 15.302 1.00 2.10 H new ATOM 2129 N ASN A 145 10.896 8.499 14.540 1.00 1.42 N ATOM 2130 CA ASN A 145 10.584 9.480 13.511 1.00 1.37 C ATOM 2131 C ASN A 145 9.972 8.740 12.332 1.00 1.17 C ATOM 2132 O ASN A 145 10.464 8.804 11.207 1.00 1.38 O ATOM 2133 CB ASN A 145 11.796 10.364 13.154 1.00 1.84 C ATOM 2134 CG ASN A 145 13.145 9.656 13.218 1.00 1.75 C ATOM 2135 OD1 ASN A 145 14.028 10.069 13.962 1.00 2.90 O ATOM 2136 ND2 ASN A 145 13.337 8.580 12.467 1.00 1.57 N ATOM 0 H ASN A 145 11.100 7.569 14.175 1.00 1.42 H new ATOM 0 HA ASN A 145 9.852 10.199 13.878 1.00 1.37 H new ATOM 0 HB2 ASN A 145 11.656 10.759 12.148 1.00 1.84 H new ATOM 0 HB3 ASN A 145 11.817 11.218 13.831 1.00 1.84 H new ATOM 0 HD21 ASN A 145 14.228 8.085 12.504 1.00 1.57 H new ATOM 0 HD22 ASN A 145 12.594 8.248 11.853 1.00 1.57 H new ATOM 2143 N GLY A 146 8.871 8.036 12.610 1.00 0.96 N ATOM 2144 CA GLY A 146 8.085 7.295 11.642 1.00 0.97 C ATOM 2145 C GLY A 146 6.671 7.835 11.744 1.00 0.70 C ATOM 2146 O GLY A 146 6.115 7.909 12.840 1.00 0.73 O ATOM 0 H GLY A 146 8.495 7.969 13.556 1.00 0.96 H new ATOM 0 HA2 GLY A 146 8.481 7.428 10.635 1.00 0.97 H new ATOM 0 HA3 GLY A 146 8.110 6.226 11.856 1.00 0.97 H new ATOM 2150 N ILE A 147 6.139 8.293 10.615 1.00 0.62 N ATOM 2151 CA ILE A 147 4.925 9.065 10.548 1.00 0.65 C ATOM 2152 C ILE A 147 3.746 8.110 10.638 1.00 0.71 C ATOM 2153 O ILE A 147 3.522 7.342 9.710 1.00 1.21 O ATOM 2154 CB ILE A 147 4.916 9.844 9.223 1.00 0.84 C ATOM 2155 CG1 ILE A 147 6.169 10.721 9.084 1.00 1.85 C ATOM 2156 CG2 ILE A 147 3.683 10.745 9.188 1.00 2.32 C ATOM 2157 CD1 ILE A 147 7.287 10.065 8.257 1.00 1.29 C ATOM 0 H ILE A 147 6.561 8.127 9.701 1.00 0.62 H new ATOM 0 HA ILE A 147 4.858 9.779 11.369 1.00 0.65 H new ATOM 0 HB ILE A 147 4.900 9.127 8.402 1.00 0.84 H new ATOM 0 HG12 ILE A 147 5.891 11.667 8.619 1.00 1.85 H new ATOM 0 HG13 ILE A 147 6.552 10.954 10.078 1.00 1.85 H new ATOM 0 HG21 ILE A 147 3.666 11.303 8.252 1.00 2.32 H new ATOM 0 HG22 ILE A 147 2.784 10.134 9.262 1.00 2.32 H new ATOM 0 HG23 ILE A 147 3.718 11.442 10.025 1.00 2.32 H new ATOM 0 HD11 ILE A 147 8.141 10.740 8.200 1.00 1.29 H new ATOM 0 HD12 ILE A 147 7.592 9.133 8.732 1.00 1.29 H new ATOM 0 HD13 ILE A 147 6.921 9.857 7.252 1.00 1.29 H new ATOM 2169 N ARG A 148 2.971 8.164 11.724 1.00 0.59 N ATOM 2170 CA ARG A 148 1.795 7.313 11.794 1.00 0.68 C ATOM 2171 C ARG A 148 0.781 7.760 10.743 1.00 0.73 C ATOM 2172 O ARG A 148 0.352 6.976 9.910 1.00 1.17 O ATOM 2173 CB ARG A 148 1.174 7.273 13.197 1.00 0.83 C ATOM 2174 CG ARG A 148 0.344 5.984 13.291 1.00 1.70 C ATOM 2175 CD ARG A 148 -0.589 5.934 14.502 1.00 1.93 C ATOM 2176 NE ARG A 148 -1.855 6.637 14.233 1.00 2.26 N ATOM 2177 CZ ARG A 148 -3.078 6.103 14.048 1.00 2.50 C ATOM 2178 NH1 ARG A 148 -3.303 4.785 13.971 1.00 3.58 N ATOM 2179 NH2 ARG A 148 -4.109 6.944 13.937 1.00 3.22 N ATOM 0 H ARG A 148 3.131 8.764 12.533 1.00 0.59 H new ATOM 0 HA ARG A 148 2.106 6.290 11.581 1.00 0.68 H new ATOM 0 HB2 ARG A 148 1.951 7.287 13.962 1.00 0.83 H new ATOM 0 HB3 ARG A 148 0.546 8.148 13.365 1.00 0.83 H new ATOM 0 HG2 ARG A 148 -0.250 5.879 12.383 1.00 1.70 H new ATOM 0 HG3 ARG A 148 1.020 5.130 13.330 1.00 1.70 H new ATOM 0 HD2 ARG A 148 -0.795 4.896 14.762 1.00 1.93 H new ATOM 0 HD3 ARG A 148 -0.096 6.386 15.363 1.00 1.93 H new ATOM 0 HE ARG A 148 -1.799 7.654 14.180 1.00 2.26 H new ATOM 0 HH11 ARG A 148 -2.526 4.129 14.054 1.00 3.58 H new ATOM 0 HH12 ARG A 148 -4.251 4.437 13.830 1.00 3.58 H new ATOM 0 HH21 ARG A 148 -3.954 7.951 13.993 1.00 3.22 H new ATOM 0 HH22 ARG A 148 -5.051 6.580 13.796 1.00 3.22 H new ATOM 2193 N HIS A 149 0.359 9.020 10.787 1.00 0.67 N ATOM 2194 CA HIS A 149 -0.697 9.487 9.903 1.00 0.86 C ATOM 2195 C HIS A 149 -0.151 9.688 8.490 1.00 0.81 C ATOM 2196 O HIS A 149 0.272 10.789 8.134 1.00 0.98 O ATOM 2197 CB HIS A 149 -1.365 10.721 10.521 1.00 1.06 C ATOM 2198 CG HIS A 149 -1.930 10.428 11.893 1.00 1.15 C ATOM 2199 ND1 HIS A 149 -1.749 11.185 13.029 1.00 2.58 N ATOM 2200 CD2 HIS A 149 -2.571 9.276 12.269 1.00 1.06 C ATOM 2201 CE1 HIS A 149 -2.273 10.499 14.062 1.00 2.25 C ATOM 2202 NE2 HIS A 149 -2.771 9.317 13.655 1.00 0.96 N ATOM 0 H HIS A 149 0.730 9.728 11.420 1.00 0.67 H new ATOM 0 HA HIS A 149 -1.484 8.740 9.798 1.00 0.86 H new ATOM 0 HB2 HIS A 149 -0.638 11.530 10.593 1.00 1.06 H new ATOM 0 HB3 HIS A 149 -2.164 11.068 9.866 1.00 1.06 H new ATOM 0 HD1 HIS A 149 -1.300 12.099 13.079 1.00 2.58 H new ATOM 0 HD2 HIS A 149 -2.870 8.474 11.610 1.00 1.06 H new ATOM 0 HE1 HIS A 149 -2.291 10.851 15.083 1.00 2.25 H new ATOM 2210 N ILE A 150 -0.149 8.605 7.707 1.00 0.72 N ATOM 2211 CA ILE A 150 0.210 8.595 6.297 1.00 0.63 C ATOM 2212 C ILE A 150 -1.061 8.493 5.452 1.00 0.71 C ATOM 2213 O ILE A 150 -1.828 7.539 5.582 1.00 0.91 O ATOM 2214 CB ILE A 150 1.173 7.436 5.988 1.00 0.64 C ATOM 2215 CG1 ILE A 150 2.364 7.439 6.957 1.00 0.96 C ATOM 2216 CG2 ILE A 150 1.672 7.528 4.545 1.00 1.10 C ATOM 2217 CD1 ILE A 150 3.502 6.495 6.553 1.00 1.15 C ATOM 0 H ILE A 150 -0.407 7.682 8.056 1.00 0.72 H new ATOM 0 HA ILE A 150 0.725 9.523 6.051 1.00 0.63 H new ATOM 0 HB ILE A 150 0.627 6.501 6.116 1.00 0.64 H new ATOM 0 HG12 ILE A 150 2.756 8.453 7.030 1.00 0.96 H new ATOM 0 HG13 ILE A 150 2.011 7.161 7.950 1.00 0.96 H new ATOM 0 HG21 ILE A 150 2.352 6.701 4.342 1.00 1.10 H new ATOM 0 HG22 ILE A 150 0.824 7.476 3.863 1.00 1.10 H new ATOM 0 HG23 ILE A 150 2.196 8.473 4.401 1.00 1.10 H new ATOM 0 HD11 ILE A 150 4.304 6.556 7.289 1.00 1.15 H new ATOM 0 HD12 ILE A 150 3.128 5.472 6.508 1.00 1.15 H new ATOM 0 HD13 ILE A 150 3.885 6.784 5.574 1.00 1.15 H new ATOM 2229 N GLY A 151 -1.264 9.460 4.558 1.00 0.71 N ATOM 2230 CA GLY A 151 -2.304 9.421 3.552 1.00 0.83 C ATOM 2231 C GLY A 151 -1.844 8.523 2.409 1.00 0.58 C ATOM 2232 O GLY A 151 -0.957 8.889 1.637 1.00 0.77 O ATOM 0 H GLY A 151 -0.695 10.305 4.519 1.00 0.71 H new ATOM 0 HA2 GLY A 151 -3.231 9.041 3.981 1.00 0.83 H new ATOM 0 HA3 GLY A 151 -2.511 10.426 3.183 1.00 0.83 H new ATOM 2236 N LEU A 152 -2.440 7.334 2.308 1.00 0.57 N ATOM 2237 CA LEU A 152 -2.265 6.457 1.165 1.00 0.76 C ATOM 2238 C LEU A 152 -3.277 6.887 0.108 1.00 0.59 C ATOM 2239 O LEU A 152 -4.471 6.638 0.268 1.00 0.61 O ATOM 2240 CB LEU A 152 -2.467 5.004 1.617 1.00 1.18 C ATOM 2241 CG LEU A 152 -1.988 3.931 0.627 1.00 0.80 C ATOM 2242 CD1 LEU A 152 -2.682 3.990 -0.739 1.00 0.75 C ATOM 2243 CD2 LEU A 152 -0.470 3.973 0.444 1.00 0.76 C ATOM 0 H LEU A 152 -3.060 6.956 3.025 1.00 0.57 H new ATOM 0 HA LEU A 152 -1.264 6.523 0.740 1.00 0.76 H new ATOM 0 HB2 LEU A 152 -1.945 4.860 2.563 1.00 1.18 H new ATOM 0 HB3 LEU A 152 -3.528 4.846 1.812 1.00 1.18 H new ATOM 0 HG LEU A 152 -2.271 2.982 1.082 1.00 0.80 H new ATOM 0 HD11 LEU A 152 -2.290 3.201 -1.381 1.00 0.75 H new ATOM 0 HD12 LEU A 152 -3.755 3.851 -0.608 1.00 0.75 H new ATOM 0 HD13 LEU A 152 -2.495 4.960 -1.200 1.00 0.75 H new ATOM 0 HD21 LEU A 152 -0.167 3.200 -0.263 1.00 0.76 H new ATOM 0 HD22 LEU A 152 -0.177 4.950 0.061 1.00 0.76 H new ATOM 0 HD23 LEU A 152 0.017 3.798 1.403 1.00 0.76 H new ATOM 2255 N ALA A 153 -2.806 7.544 -0.955 1.00 0.64 N ATOM 2256 CA ALA A 153 -3.640 7.953 -2.077 1.00 0.69 C ATOM 2257 C ALA A 153 -3.012 7.451 -3.372 1.00 0.62 C ATOM 2258 O ALA A 153 -1.801 7.240 -3.432 1.00 0.86 O ATOM 2259 CB ALA A 153 -3.766 9.478 -2.088 1.00 0.98 C ATOM 0 H ALA A 153 -1.826 7.807 -1.057 1.00 0.64 H new ATOM 0 HA ALA A 153 -4.638 7.525 -1.981 1.00 0.69 H new ATOM 0 HB1 ALA A 153 -4.390 9.785 -2.927 1.00 0.98 H new ATOM 0 HB2 ALA A 153 -4.221 9.812 -1.156 1.00 0.98 H new ATOM 0 HB3 ALA A 153 -2.777 9.924 -2.189 1.00 0.98 H new ATOM 2265 N ALA A 154 -3.821 7.280 -4.418 1.00 0.69 N ATOM 2266 CA ALA A 154 -3.337 6.950 -5.745 1.00 0.65 C ATOM 2267 C ALA A 154 -4.270 7.540 -6.771 1.00 0.78 C ATOM 2268 O ALA A 154 -5.439 7.764 -6.466 1.00 0.98 O ATOM 2269 CB ALA A 154 -3.287 5.437 -5.948 1.00 0.84 C ATOM 0 H ALA A 154 -4.836 7.369 -4.361 1.00 0.69 H new ATOM 0 HA ALA A 154 -2.332 7.356 -5.856 1.00 0.65 H new ATOM 0 HB1 ALA A 154 -2.921 5.216 -6.951 1.00 0.84 H new ATOM 0 HB2 ALA A 154 -2.618 4.993 -5.211 1.00 0.84 H new ATOM 0 HB3 ALA A 154 -4.287 5.020 -5.827 1.00 0.84 H new ATOM 2275 N LYS A 155 -3.752 7.729 -7.982 1.00 0.80 N ATOM 2276 CA LYS A 155 -4.582 7.835 -9.159 1.00 0.85 C ATOM 2277 C LYS A 155 -3.759 7.457 -10.380 1.00 1.01 C ATOM 2278 O LYS A 155 -2.742 8.091 -10.656 1.00 1.45 O ATOM 2279 CB LYS A 155 -5.216 9.220 -9.310 1.00 1.23 C ATOM 2280 CG LYS A 155 -6.154 9.236 -10.529 1.00 1.95 C ATOM 2281 CD LYS A 155 -5.546 10.029 -11.696 1.00 2.60 C ATOM 2282 CE LYS A 155 -6.515 10.144 -12.884 1.00 3.99 C ATOM 2283 NZ LYS A 155 -6.581 8.910 -13.695 1.00 5.39 N ATOM 0 H LYS A 155 -2.752 7.811 -8.165 1.00 0.80 H new ATOM 0 HA LYS A 155 -5.417 7.142 -9.056 1.00 0.85 H new ATOM 0 HB2 LYS A 155 -5.773 9.475 -8.408 1.00 1.23 H new ATOM 0 HB3 LYS A 155 -4.438 9.975 -9.429 1.00 1.23 H new ATOM 0 HG2 LYS A 155 -6.355 8.213 -10.848 1.00 1.95 H new ATOM 0 HG3 LYS A 155 -7.111 9.676 -10.248 1.00 1.95 H new ATOM 0 HD2 LYS A 155 -5.274 11.027 -11.353 1.00 2.60 H new ATOM 0 HD3 LYS A 155 -4.627 9.543 -12.024 1.00 2.60 H new ATOM 0 HE2 LYS A 155 -7.512 10.382 -12.512 1.00 3.99 H new ATOM 0 HE3 LYS A 155 -6.206 10.974 -13.519 1.00 3.99 H new ATOM 0 HZ1 LYS A 155 -7.298 9.022 -14.440 1.00 5.39 H new ATOM 0 HZ2 LYS A 155 -5.654 8.731 -14.131 1.00 5.39 H new ATOM 0 HZ3 LYS A 155 -6.837 8.107 -13.085 1.00 5.39 H new ATOM 2297 N GLN A 156 -4.232 6.464 -11.126 1.00 0.98 N ATOM 2298 CA GLN A 156 -3.752 6.145 -12.450 1.00 1.27 C ATOM 2299 C GLN A 156 -4.820 6.690 -13.391 1.00 1.99 C ATOM 2300 O GLN A 156 -4.485 7.494 -14.292 1.00 2.62 O ATOM 2301 CB GLN A 156 -3.501 4.644 -12.602 1.00 1.59 C ATOM 2302 CG GLN A 156 -4.402 3.806 -11.696 1.00 1.82 C ATOM 2303 CD GLN A 156 -3.961 3.740 -10.229 1.00 2.83 C ATOM 2304 OE1 GLN A 156 -2.982 4.342 -9.794 1.00 4.31 O ATOM 2305 NE2 GLN A 156 -4.695 2.979 -9.433 1.00 2.70 N ATOM 0 H GLN A 156 -4.980 5.847 -10.810 1.00 0.98 H new ATOM 0 HA GLN A 156 -2.784 6.594 -12.673 1.00 1.27 H new ATOM 0 HB2 GLN A 156 -3.665 4.355 -13.640 1.00 1.59 H new ATOM 0 HB3 GLN A 156 -2.458 4.428 -12.372 1.00 1.59 H new ATOM 0 HG2 GLN A 156 -5.413 4.211 -11.738 1.00 1.82 H new ATOM 0 HG3 GLN A 156 -4.448 2.792 -12.092 1.00 1.82 H new ATOM 0 HE21 GLN A 156 -5.505 2.484 -9.805 1.00 2.70 H new ATOM 0 HE22 GLN A 156 -4.450 2.887 -8.447 1.00 2.70 H new TER 2314 GLN A 156