USER MOD reduce.3.24.130724 H: found=0, std=0, add=1209, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1210 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 51 SER OG : rot -93:sc= 1.26 USER MOD Set 1.2: A 168 HIS : no HD1:sc= -2.64! C(o=-1.4!,f=-2.1!) USER MOD Set 2.1: A 115 TYR OH : rot 180:sc= 0.986 USER MOD Set 2.2: A 150 HIS : no HD1:sc= -0.396 X(o=0.59,f=0.35) USER MOD Set 3.1: A 125 THR OG1 : rot 127:sc= 0.395 USER MOD Set 3.2: A 136 HIS :FLIP no HD1:sc= 0.359 F(o=-0.2,f=0.75) USER MOD Set 4.1: A 103 THR OG1 : rot -169:sc= -0.109 USER MOD Set 4.2: A 121 THR OG1 : rot 180:sc= -0.809 USER MOD Set 5.1: A 54 SER OG : rot -46:sc= -0.451 USER MOD Set 5.2: A 59 GLN : amide:sc= 0.72 K(o=0.27,f=-2.3) USER MOD Single : A 17 THR OG1 : rot -98:sc= 0.523 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00363 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00956 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0415 (180deg=-0.253) USER MOD Single : A 35 SER OG : rot 180:sc= -1.84! USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 2.26 (180deg=1.99) USER MOD Single : A 40 HIS :FLIP no HE2:sc= 0.363 F(o=-1.2,f=0.36) USER MOD Single : A 41 HIS : no HD1:sc= 0.271 K(o=0.27,f=-3.5!) USER MOD Single : A 42 MET CE :methyl -133:sc=-0.00208 (180deg=-0.334) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0459 (180deg=-0.272) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HE2:sc= -1.03 K(o=-1,f=-3.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.335 K(o=-0.34,f=-5.9!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.04) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -170:sc= 0.989 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.636 F(o=-1.5!,f=-0.64) USER MOD Single : A 79 TYR OH : rot -87:sc= 0.0038 USER MOD Single : A 81 HIS : no HE2:sc= 0.127 K(o=0.13,f=-5.8!) USER MOD Single : A 86 LYS NZ :NH3+ 145:sc= 1.19 (180deg=0.359) USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.17) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -2.68! C(o=-2.7!,f=-5!) USER MOD Single : A 112 MET CE :methyl 147:sc= -2.21 (180deg=-5.02!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.67) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -110:sc= 0.215 USER MOD Single : A 138 HIS : no HE2:sc= 1.27 K(o=1.3,f=-6!) USER MOD Single : A 141 TYR OH : rot 55:sc= 0.172 USER MOD Single : A 143 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.59) USER MOD Single : A 145 SER OG : rot 180:sc= 0.532 USER MOD Single : A 153 THR OG1 : rot -61:sc= 0.485 USER MOD Single : A 156 GLN :FLIP amide:sc= -0.194 F(o=-0.99,f=-0.19) USER MOD Single : A 158 CYS SG : rot 64:sc= 1.47 USER MOD Single : A 162 SER OG : rot 84:sc= 1.23 USER MOD Single : A 163 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -5.603 -31.261 -5.043 1.00 74.25 N ATOM 2 CA THR A 17 -5.710 -30.062 -4.339 1.00 41.11 C ATOM 3 C THR A 17 -6.417 -30.282 -3.028 1.00 51.50 C ATOM 4 O THR A 17 -7.294 -31.163 -2.900 1.00 13.33 O ATOM 5 CB THR A 17 -6.445 -28.981 -5.182 1.00 63.01 C ATOM 6 OG1 THR A 17 -6.236 -27.680 -4.607 1.00 30.34 O ATOM 7 CG2 THR A 17 -7.942 -29.257 -5.286 1.00 74.32 C ATOM 0 HA THR A 17 -4.703 -29.700 -4.134 1.00 41.11 H new ATOM 0 HB THR A 17 -6.027 -29.014 -6.188 1.00 63.01 H new ATOM 0 HG1 THR A 17 -7.009 -27.438 -4.056 1.00 30.34 H new ATOM 0 HG21 THR A 17 -8.415 -28.477 -5.883 1.00 74.32 H new ATOM 0 HG22 THR A 17 -8.101 -30.225 -5.761 1.00 74.32 H new ATOM 0 HG23 THR A 17 -8.380 -29.266 -4.288 1.00 74.32 H new ATOM 15 N GLU A 18 -5.986 -29.523 -2.081 1.00 62.55 N ATOM 16 CA GLU A 18 -6.513 -29.455 -0.741 1.00 52.45 C ATOM 17 C GLU A 18 -5.659 -28.530 0.075 1.00 43.33 C ATOM 18 O GLU A 18 -4.486 -28.283 -0.272 1.00 23.21 O ATOM 19 CB GLU A 18 -6.574 -30.813 -0.058 1.00 71.54 C ATOM 20 CG GLU A 18 -5.262 -31.564 -0.003 1.00 0.41 C ATOM 21 CD GLU A 18 -5.394 -32.840 0.752 1.00 44.13 C ATOM 22 OE1 GLU A 18 -5.744 -33.872 0.151 1.00 13.34 O ATOM 23 OE2 GLU A 18 -5.163 -32.828 1.977 1.00 62.25 O ATOM 0 H GLU A 18 -5.202 -28.885 -2.221 1.00 62.55 H new ATOM 0 HA GLU A 18 -7.536 -29.085 -0.813 1.00 52.45 H new ATOM 0 HB2 GLU A 18 -6.938 -30.674 0.960 1.00 71.54 H new ATOM 0 HB3 GLU A 18 -7.307 -31.431 -0.577 1.00 71.54 H new ATOM 0 HG2 GLU A 18 -4.919 -31.774 -1.016 1.00 0.41 H new ATOM 0 HG3 GLU A 18 -4.503 -30.939 0.467 1.00 0.41 H new ATOM 30 N ALA A 19 -6.212 -28.037 1.142 1.00 14.15 N ATOM 31 CA ALA A 19 -5.527 -27.139 2.024 1.00 3.13 C ATOM 32 C ALA A 19 -6.196 -27.178 3.373 1.00 21.31 C ATOM 33 O ALA A 19 -7.323 -26.710 3.529 1.00 34.45 O ATOM 34 CB ALA A 19 -5.547 -25.737 1.456 1.00 1.31 C ATOM 0 H ALA A 19 -7.167 -28.250 1.429 1.00 14.15 H new ATOM 0 HA ALA A 19 -4.486 -27.444 2.130 1.00 3.13 H new ATOM 0 HB1 ALA A 19 -5.024 -25.062 2.134 1.00 1.31 H new ATOM 0 HB2 ALA A 19 -5.052 -25.731 0.485 1.00 1.31 H new ATOM 0 HB3 ALA A 19 -6.579 -25.406 1.340 1.00 1.31 H new ATOM 40 N SER A 20 -5.518 -27.742 4.331 1.00 0.23 N ATOM 41 CA SER A 20 -6.059 -27.917 5.656 1.00 24.15 C ATOM 42 C SER A 20 -6.326 -26.592 6.364 1.00 62.43 C ATOM 43 O SER A 20 -7.372 -26.411 6.997 1.00 64.40 O ATOM 44 CB SER A 20 -5.120 -28.799 6.467 1.00 71.24 C ATOM 45 OG SER A 20 -3.781 -28.317 6.389 1.00 25.45 O ATOM 0 H SER A 20 -4.568 -28.097 4.218 1.00 0.23 H new ATOM 0 HA SER A 20 -7.030 -28.404 5.564 1.00 24.15 H new ATOM 0 HB2 SER A 20 -5.443 -28.822 7.508 1.00 71.24 H new ATOM 0 HB3 SER A 20 -5.165 -29.823 6.097 1.00 71.24 H new ATOM 0 HG SER A 20 -3.194 -28.896 6.918 1.00 25.45 H new ATOM 51 N SER A 21 -5.405 -25.675 6.243 1.00 21.02 N ATOM 52 CA SER A 21 -5.510 -24.413 6.923 1.00 2.41 C ATOM 53 C SER A 21 -6.252 -23.358 6.100 1.00 53.42 C ATOM 54 O SER A 21 -7.052 -22.596 6.649 1.00 11.21 O ATOM 55 CB SER A 21 -4.113 -23.925 7.276 1.00 61.13 C ATOM 56 OG SER A 21 -3.303 -23.864 6.110 1.00 10.05 O ATOM 0 H SER A 21 -4.565 -25.780 5.674 1.00 21.02 H new ATOM 0 HA SER A 21 -6.098 -24.567 7.828 1.00 2.41 H new ATOM 0 HB2 SER A 21 -4.171 -22.940 7.739 1.00 61.13 H new ATOM 0 HB3 SER A 21 -3.660 -24.595 8.007 1.00 61.13 H new ATOM 0 HG SER A 21 -2.407 -23.547 6.350 1.00 10.05 H new ATOM 62 N LEU A 22 -6.001 -23.345 4.778 1.00 62.11 N ATOM 63 CA LEU A 22 -6.493 -22.298 3.867 1.00 0.22 C ATOM 64 C LEU A 22 -5.936 -20.923 4.212 1.00 35.11 C ATOM 65 O LEU A 22 -6.412 -19.905 3.728 1.00 33.22 O ATOM 66 CB LEU A 22 -7.999 -22.294 3.804 1.00 20.01 C ATOM 67 CG LEU A 22 -8.613 -23.494 3.123 1.00 10.13 C ATOM 68 CD1 LEU A 22 -10.067 -23.507 3.385 1.00 42.13 C ATOM 69 CD2 LEU A 22 -8.360 -23.446 1.619 1.00 51.01 C ATOM 0 H LEU A 22 -5.449 -24.064 4.311 1.00 62.11 H new ATOM 0 HA LEU A 22 -6.122 -22.539 2.871 1.00 0.22 H new ATOM 0 HB2 LEU A 22 -8.390 -22.232 4.820 1.00 20.01 H new ATOM 0 HB3 LEU A 22 -8.323 -21.394 3.282 1.00 20.01 H new ATOM 0 HG LEU A 22 -8.156 -24.401 3.520 1.00 10.13 H new ATOM 0 HD11 LEU A 22 -10.517 -24.371 2.896 1.00 42.13 H new ATOM 0 HD12 LEU A 22 -10.243 -23.565 4.459 1.00 42.13 H new ATOM 0 HD13 LEU A 22 -10.515 -22.594 2.993 1.00 42.13 H new ATOM 0 HD21 LEU A 22 -8.810 -24.319 1.146 1.00 51.01 H new ATOM 0 HD22 LEU A 22 -8.802 -22.540 1.204 1.00 51.01 H new ATOM 0 HD23 LEU A 22 -7.286 -23.444 1.431 1.00 51.01 H new ATOM 81 N VAL A 23 -4.908 -20.902 5.015 1.00 63.21 N ATOM 82 CA VAL A 23 -4.243 -19.671 5.337 1.00 34.44 C ATOM 83 C VAL A 23 -3.117 -19.499 4.362 1.00 10.13 C ATOM 84 O VAL A 23 -2.382 -20.453 4.081 1.00 50.41 O ATOM 85 CB VAL A 23 -3.705 -19.655 6.796 1.00 25.53 C ATOM 86 CG1 VAL A 23 -2.957 -18.353 7.097 1.00 11.12 C ATOM 87 CG2 VAL A 23 -4.853 -19.813 7.762 1.00 33.51 C ATOM 0 H VAL A 23 -4.511 -21.729 5.461 1.00 63.21 H new ATOM 0 HA VAL A 23 -4.955 -18.849 5.266 1.00 34.44 H new ATOM 0 HB VAL A 23 -3.007 -20.484 6.910 1.00 25.53 H new ATOM 0 HG11 VAL A 23 -2.593 -18.372 8.124 1.00 11.12 H new ATOM 0 HG12 VAL A 23 -2.113 -18.252 6.415 1.00 11.12 H new ATOM 0 HG13 VAL A 23 -3.632 -17.507 6.967 1.00 11.12 H new ATOM 0 HG21 VAL A 23 -4.473 -19.801 8.784 1.00 33.51 H new ATOM 0 HG22 VAL A 23 -5.557 -18.992 7.627 1.00 33.51 H new ATOM 0 HG23 VAL A 23 -5.359 -20.760 7.574 1.00 33.51 H new ATOM 97 N GLY A 24 -2.992 -18.331 3.829 1.00 31.04 N ATOM 98 CA GLY A 24 -1.980 -18.077 2.861 1.00 12.11 C ATOM 99 C GLY A 24 -1.152 -16.894 3.230 1.00 34.33 C ATOM 100 O GLY A 24 -1.647 -15.948 3.847 1.00 43.53 O ATOM 0 H GLY A 24 -3.584 -17.530 4.050 1.00 31.04 H new ATOM 0 HA2 GLY A 24 -1.340 -18.954 2.764 1.00 12.11 H new ATOM 0 HA3 GLY A 24 -2.441 -17.910 1.887 1.00 12.11 H new ATOM 104 N LYS A 25 0.088 -16.933 2.876 1.00 42.04 N ATOM 105 CA LYS A 25 0.990 -15.855 3.146 1.00 22.13 C ATOM 106 C LYS A 25 1.727 -15.572 1.900 1.00 52.13 C ATOM 107 O LYS A 25 1.783 -16.419 1.004 1.00 55.20 O ATOM 108 CB LYS A 25 2.082 -16.222 4.111 1.00 14.34 C ATOM 109 CG LYS A 25 1.730 -16.901 5.398 1.00 22.43 C ATOM 110 CD LYS A 25 3.005 -17.024 6.234 1.00 33.34 C ATOM 111 CE LYS A 25 4.192 -17.587 5.409 1.00 60.15 C ATOM 112 NZ LYS A 25 3.956 -18.962 4.915 1.00 4.13 N ATOM 0 H LYS A 25 0.512 -17.720 2.386 1.00 42.04 H new ATOM 0 HA LYS A 25 0.386 -15.039 3.542 1.00 22.13 H new ATOM 0 HB2 LYS A 25 2.782 -16.868 3.582 1.00 14.34 H new ATOM 0 HB3 LYS A 25 2.619 -15.307 4.361 1.00 14.34 H new ATOM 0 HG2 LYS A 25 0.975 -16.328 5.937 1.00 22.43 H new ATOM 0 HG3 LYS A 25 1.305 -17.886 5.205 1.00 22.43 H new ATOM 0 HD2 LYS A 25 3.273 -16.045 6.632 1.00 33.34 H new ATOM 0 HD3 LYS A 25 2.817 -17.675 7.088 1.00 33.34 H new ATOM 0 HE2 LYS A 25 4.381 -16.930 4.560 1.00 60.15 H new ATOM 0 HE3 LYS A 25 5.091 -17.578 6.025 1.00 60.15 H new ATOM 0 HZ1 LYS A 25 4.783 -19.283 4.372 1.00 4.13 H new ATOM 0 HZ2 LYS A 25 3.804 -19.600 5.722 1.00 4.13 H new ATOM 0 HZ3 LYS A 25 3.115 -18.971 4.303 1.00 4.13 H new ATOM 126 N LEU A 26 2.238 -14.408 1.803 1.00 31.12 N ATOM 127 CA LEU A 26 3.179 -14.120 0.786 1.00 34.02 C ATOM 128 C LEU A 26 4.099 -13.054 1.298 1.00 55.31 C ATOM 129 O LEU A 26 3.659 -12.108 1.920 1.00 61.35 O ATOM 130 CB LEU A 26 2.513 -13.703 -0.531 1.00 13.51 C ATOM 131 CG LEU A 26 3.457 -13.391 -1.700 1.00 71.33 C ATOM 132 CD1 LEU A 26 4.266 -14.619 -2.095 1.00 61.24 C ATOM 133 CD2 LEU A 26 2.679 -12.859 -2.884 1.00 61.43 C ATOM 0 H LEU A 26 2.020 -13.627 2.422 1.00 31.12 H new ATOM 0 HA LEU A 26 3.741 -15.024 0.552 1.00 34.02 H new ATOM 0 HB2 LEU A 26 1.837 -14.500 -0.840 1.00 13.51 H new ATOM 0 HB3 LEU A 26 1.901 -12.822 -0.341 1.00 13.51 H new ATOM 0 HG LEU A 26 4.156 -12.621 -1.373 1.00 71.33 H new ATOM 0 HD11 LEU A 26 4.926 -14.368 -2.925 1.00 61.24 H new ATOM 0 HD12 LEU A 26 4.862 -14.951 -1.245 1.00 61.24 H new ATOM 0 HD13 LEU A 26 3.590 -15.418 -2.398 1.00 61.24 H new ATOM 0 HD21 LEU A 26 3.365 -12.643 -3.703 1.00 61.43 H new ATOM 0 HD22 LEU A 26 1.952 -13.604 -3.206 1.00 61.43 H new ATOM 0 HD23 LEU A 26 2.159 -11.945 -2.597 1.00 61.43 H new ATOM 145 N GLU A 27 5.356 -13.228 1.106 1.00 24.32 N ATOM 146 CA GLU A 27 6.289 -12.242 1.530 1.00 72.32 C ATOM 147 C GLU A 27 7.260 -11.977 0.419 1.00 44.33 C ATOM 148 O GLU A 27 7.694 -12.904 -0.271 1.00 44.01 O ATOM 149 CB GLU A 27 6.995 -12.663 2.818 1.00 1.12 C ATOM 150 CG GLU A 27 7.897 -11.587 3.388 1.00 13.35 C ATOM 151 CD GLU A 27 8.510 -11.977 4.681 1.00 43.44 C ATOM 152 OE1 GLU A 27 7.873 -11.768 5.732 1.00 31.04 O ATOM 153 OE2 GLU A 27 9.640 -12.502 4.674 1.00 32.11 O ATOM 0 H GLU A 27 5.766 -14.046 0.656 1.00 24.32 H new ATOM 0 HA GLU A 27 5.759 -11.317 1.759 1.00 72.32 H new ATOM 0 HB2 GLU A 27 6.246 -12.932 3.563 1.00 1.12 H new ATOM 0 HB3 GLU A 27 7.587 -13.558 2.624 1.00 1.12 H new ATOM 0 HG2 GLU A 27 8.686 -11.363 2.670 1.00 13.35 H new ATOM 0 HG3 GLU A 27 7.321 -10.672 3.525 1.00 13.35 H new ATOM 160 N THR A 28 7.574 -10.742 0.221 1.00 12.14 N ATOM 161 CA THR A 28 8.466 -10.353 -0.811 1.00 63.11 C ATOM 162 C THR A 28 9.165 -9.071 -0.392 1.00 75.24 C ATOM 163 O THR A 28 8.590 -8.238 0.312 1.00 52.12 O ATOM 164 CB THR A 28 7.707 -10.160 -2.179 1.00 71.13 C ATOM 165 OG1 THR A 28 8.621 -9.808 -3.232 1.00 13.23 O ATOM 166 CG2 THR A 28 6.630 -9.084 -2.067 1.00 45.15 C ATOM 0 H THR A 28 7.213 -9.968 0.778 1.00 12.14 H new ATOM 0 HA THR A 28 9.205 -11.139 -0.965 1.00 63.11 H new ATOM 0 HB THR A 28 7.233 -11.112 -2.419 1.00 71.13 H new ATOM 0 HG1 THR A 28 8.126 -9.696 -4.070 1.00 13.23 H new ATOM 0 HG21 THR A 28 6.124 -8.974 -3.026 1.00 45.15 H new ATOM 0 HG22 THR A 28 5.905 -9.373 -1.306 1.00 45.15 H new ATOM 0 HG23 THR A 28 7.090 -8.136 -1.789 1.00 45.15 H new ATOM 174 N ASP A 29 10.388 -8.937 -0.764 1.00 42.44 N ATOM 175 CA ASP A 29 11.120 -7.739 -0.485 1.00 41.54 C ATOM 176 C ASP A 29 11.344 -7.005 -1.768 1.00 72.44 C ATOM 177 O ASP A 29 11.726 -7.598 -2.781 1.00 61.21 O ATOM 178 CB ASP A 29 12.463 -8.020 0.221 1.00 14.22 C ATOM 179 CG ASP A 29 13.442 -8.830 -0.609 1.00 71.03 C ATOM 180 OD1 ASP A 29 13.326 -10.086 -0.648 1.00 35.52 O ATOM 181 OD2 ASP A 29 14.342 -8.245 -1.214 1.00 31.22 O ATOM 0 H ASP A 29 10.915 -9.649 -1.270 1.00 42.44 H new ATOM 0 HA ASP A 29 10.533 -7.130 0.202 1.00 41.54 H new ATOM 0 HB2 ASP A 29 12.927 -7.070 0.486 1.00 14.22 H new ATOM 0 HB3 ASP A 29 12.267 -8.551 1.153 1.00 14.22 H new ATOM 186 N VAL A 30 11.055 -5.756 -1.757 1.00 72.35 N ATOM 187 CA VAL A 30 11.266 -4.939 -2.905 1.00 5.35 C ATOM 188 C VAL A 30 12.315 -3.923 -2.559 1.00 14.43 C ATOM 189 O VAL A 30 12.288 -3.322 -1.478 1.00 32.40 O ATOM 190 CB VAL A 30 9.960 -4.259 -3.412 1.00 31.31 C ATOM 191 CG1 VAL A 30 10.240 -3.381 -4.623 1.00 30.34 C ATOM 192 CG2 VAL A 30 8.927 -5.314 -3.770 1.00 52.51 C ATOM 0 H VAL A 30 10.664 -5.265 -0.953 1.00 72.35 H new ATOM 0 HA VAL A 30 11.600 -5.567 -3.731 1.00 5.35 H new ATOM 0 HB VAL A 30 9.571 -3.630 -2.611 1.00 31.31 H new ATOM 0 HG11 VAL A 30 9.312 -2.917 -4.958 1.00 30.34 H new ATOM 0 HG12 VAL A 30 10.956 -2.605 -4.352 1.00 30.34 H new ATOM 0 HG13 VAL A 30 10.652 -3.991 -5.427 1.00 30.34 H new ATOM 0 HG21 VAL A 30 8.018 -4.828 -4.123 1.00 52.51 H new ATOM 0 HG22 VAL A 30 9.322 -5.959 -4.555 1.00 52.51 H new ATOM 0 HG23 VAL A 30 8.699 -5.914 -2.889 1.00 52.51 H new ATOM 202 N GLU A 31 13.247 -3.757 -3.417 1.00 65.44 N ATOM 203 CA GLU A 31 14.317 -2.871 -3.149 1.00 20.03 C ATOM 204 C GLU A 31 14.050 -1.564 -3.863 1.00 51.33 C ATOM 205 O GLU A 31 13.878 -1.538 -5.082 1.00 44.30 O ATOM 206 CB GLU A 31 15.599 -3.514 -3.611 1.00 52.21 C ATOM 207 CG GLU A 31 15.712 -4.968 -3.145 1.00 43.24 C ATOM 208 CD GLU A 31 16.925 -5.680 -3.642 1.00 22.01 C ATOM 209 OE1 GLU A 31 18.023 -5.479 -3.085 1.00 4.50 O ATOM 210 OE2 GLU A 31 16.794 -6.496 -4.572 1.00 74.30 O ATOM 0 H GLU A 31 13.293 -4.227 -4.321 1.00 65.44 H new ATOM 0 HA GLU A 31 14.407 -2.663 -2.083 1.00 20.03 H new ATOM 0 HB2 GLU A 31 15.651 -3.477 -4.699 1.00 52.21 H new ATOM 0 HB3 GLU A 31 16.447 -2.945 -3.231 1.00 52.21 H new ATOM 0 HG2 GLU A 31 15.714 -4.989 -2.055 1.00 43.24 H new ATOM 0 HG3 GLU A 31 14.826 -5.512 -3.473 1.00 43.24 H new ATOM 217 N ILE A 32 13.988 -0.494 -3.118 1.00 0.34 N ATOM 218 CA ILE A 32 13.624 0.785 -3.681 1.00 35.31 C ATOM 219 C ILE A 32 14.810 1.745 -3.712 1.00 35.14 C ATOM 220 O ILE A 32 15.911 1.415 -3.234 1.00 74.14 O ATOM 221 CB ILE A 32 12.407 1.426 -2.926 1.00 43.31 C ATOM 222 CG1 ILE A 32 12.725 1.620 -1.429 1.00 42.32 C ATOM 223 CG2 ILE A 32 11.141 0.579 -3.123 1.00 30.43 C ATOM 224 CD1 ILE A 32 11.604 2.239 -0.606 1.00 24.10 C ATOM 0 H ILE A 32 14.185 -0.479 -2.117 1.00 0.34 H new ATOM 0 HA ILE A 32 13.317 0.601 -4.711 1.00 35.31 H new ATOM 0 HB ILE A 32 12.221 2.412 -3.353 1.00 43.31 H new ATOM 0 HG12 ILE A 32 12.978 0.651 -0.999 1.00 42.32 H new ATOM 0 HG13 ILE A 32 13.610 2.250 -1.340 1.00 42.32 H new ATOM 0 HG21 ILE A 32 10.308 1.040 -2.592 1.00 30.43 H new ATOM 0 HG22 ILE A 32 10.905 0.519 -4.185 1.00 30.43 H new ATOM 0 HG23 ILE A 32 11.310 -0.424 -2.732 1.00 30.43 H new ATOM 0 HD11 ILE A 32 11.924 2.334 0.432 1.00 24.10 H new ATOM 0 HD12 ILE A 32 11.363 3.225 -1.003 1.00 24.10 H new ATOM 0 HD13 ILE A 32 10.721 1.602 -0.656 1.00 24.10 H new ATOM 236 N LYS A 33 14.593 2.898 -4.289 1.00 60.33 N ATOM 237 CA LYS A 33 15.592 3.942 -4.397 1.00 13.35 C ATOM 238 C LYS A 33 15.343 4.968 -3.325 1.00 61.34 C ATOM 239 O LYS A 33 16.268 5.657 -2.857 1.00 14.13 O ATOM 240 CB LYS A 33 15.511 4.608 -5.772 1.00 52.31 C ATOM 241 CG LYS A 33 15.830 3.684 -6.930 1.00 65.24 C ATOM 242 CD LYS A 33 15.666 4.392 -8.261 1.00 71.10 C ATOM 243 CE LYS A 33 16.059 3.493 -9.419 1.00 73.11 C ATOM 244 NZ LYS A 33 17.496 3.114 -9.372 1.00 74.25 N ATOM 0 H LYS A 33 13.697 3.148 -4.708 1.00 60.33 H new ATOM 0 HA LYS A 33 16.585 3.508 -4.275 1.00 13.35 H new ATOM 0 HB2 LYS A 33 14.508 5.011 -5.909 1.00 52.31 H new ATOM 0 HB3 LYS A 33 16.200 5.452 -5.795 1.00 52.31 H new ATOM 0 HG2 LYS A 33 16.852 3.317 -6.834 1.00 65.24 H new ATOM 0 HG3 LYS A 33 15.174 2.814 -6.895 1.00 65.24 H new ATOM 0 HD2 LYS A 33 14.630 4.710 -8.380 1.00 71.10 H new ATOM 0 HD3 LYS A 33 16.279 5.293 -8.274 1.00 71.10 H new ATOM 0 HE2 LYS A 33 15.446 2.592 -9.401 1.00 73.11 H new ATOM 0 HE3 LYS A 33 15.850 4.002 -10.360 1.00 73.11 H new ATOM 0 HZ1 LYS A 33 17.782 2.723 -10.292 1.00 74.25 H new ATOM 0 HZ2 LYS A 33 18.070 3.955 -9.160 1.00 74.25 H new ATOM 0 HZ3 LYS A 33 17.642 2.399 -8.631 1.00 74.25 H new ATOM 258 N ALA A 34 14.093 5.079 -2.942 1.00 22.44 N ATOM 259 CA ALA A 34 13.692 5.968 -1.898 1.00 73.12 C ATOM 260 C ALA A 34 14.251 5.510 -0.553 1.00 64.13 C ATOM 261 O ALA A 34 14.535 4.320 -0.341 1.00 14.41 O ATOM 262 CB ALA A 34 12.184 6.072 -1.848 1.00 72.10 C ATOM 0 H ALA A 34 13.326 4.547 -3.354 1.00 22.44 H new ATOM 0 HA ALA A 34 14.098 6.957 -2.110 1.00 73.12 H new ATOM 0 HB1 ALA A 34 11.893 6.753 -1.048 1.00 72.10 H new ATOM 0 HB2 ALA A 34 11.814 6.452 -2.800 1.00 72.10 H new ATOM 0 HB3 ALA A 34 11.757 5.087 -1.660 1.00 72.10 H new ATOM 268 N SER A 35 14.429 6.447 0.330 1.00 62.12 N ATOM 269 CA SER A 35 14.958 6.171 1.630 1.00 73.35 C ATOM 270 C SER A 35 13.863 6.017 2.665 1.00 61.12 C ATOM 271 O SER A 35 12.808 6.665 2.583 1.00 1.24 O ATOM 272 CB SER A 35 15.919 7.275 2.040 1.00 50.42 C ATOM 273 OG SER A 35 17.022 7.311 1.170 1.00 11.13 O ATOM 0 H SER A 35 14.210 7.430 0.167 1.00 62.12 H new ATOM 0 HA SER A 35 15.492 5.222 1.579 1.00 73.35 H new ATOM 0 HB2 SER A 35 15.406 8.236 2.027 1.00 50.42 H new ATOM 0 HB3 SER A 35 16.259 7.109 3.062 1.00 50.42 H new ATOM 0 HG SER A 35 17.632 8.027 1.445 1.00 11.13 H new ATOM 279 N ALA A 36 14.127 5.165 3.632 1.00 2.03 N ATOM 280 CA ALA A 36 13.249 4.909 4.745 1.00 64.35 C ATOM 281 C ALA A 36 13.063 6.186 5.549 1.00 35.13 C ATOM 282 O ALA A 36 11.983 6.475 6.061 1.00 0.24 O ATOM 283 CB ALA A 36 13.861 3.819 5.601 1.00 11.31 C ATOM 0 H ALA A 36 14.986 4.616 3.663 1.00 2.03 H new ATOM 0 HA ALA A 36 12.271 4.582 4.392 1.00 64.35 H new ATOM 0 HB1 ALA A 36 13.208 3.613 6.449 1.00 11.31 H new ATOM 0 HB2 ALA A 36 13.980 2.913 5.006 1.00 11.31 H new ATOM 0 HB3 ALA A 36 14.835 4.146 5.964 1.00 11.31 H new ATOM 289 N ASP A 37 14.131 6.952 5.624 1.00 33.41 N ATOM 290 CA ASP A 37 14.144 8.248 6.288 1.00 62.35 C ATOM 291 C ASP A 37 13.105 9.183 5.682 1.00 25.55 C ATOM 292 O ASP A 37 12.427 9.925 6.393 1.00 51.43 O ATOM 293 CB ASP A 37 15.531 8.867 6.174 1.00 0.34 C ATOM 294 CG ASP A 37 15.622 10.231 6.798 1.00 62.32 C ATOM 295 OD1 ASP A 37 15.717 10.315 8.031 1.00 21.12 O ATOM 296 OD2 ASP A 37 15.591 11.241 6.063 1.00 41.23 O ATOM 0 H ASP A 37 15.031 6.692 5.220 1.00 33.41 H new ATOM 0 HA ASP A 37 13.895 8.101 7.339 1.00 62.35 H new ATOM 0 HB2 ASP A 37 16.257 8.207 6.650 1.00 0.34 H new ATOM 0 HB3 ASP A 37 15.806 8.937 5.121 1.00 0.34 H new ATOM 301 N LYS A 38 12.961 9.114 4.373 1.00 43.12 N ATOM 302 CA LYS A 38 12.020 9.945 3.649 1.00 3.34 C ATOM 303 C LYS A 38 10.594 9.521 3.927 1.00 14.33 C ATOM 304 O LYS A 38 9.703 10.350 4.074 1.00 32.01 O ATOM 305 CB LYS A 38 12.330 9.913 2.174 1.00 2.24 C ATOM 306 CG LYS A 38 13.689 10.514 1.873 1.00 30.01 C ATOM 307 CD LYS A 38 14.041 10.422 0.416 1.00 12.34 C ATOM 308 CE LYS A 38 13.058 11.176 -0.466 1.00 32.54 C ATOM 309 NZ LYS A 38 12.993 12.611 -0.147 1.00 65.21 N ATOM 0 H LYS A 38 13.495 8.478 3.780 1.00 43.12 H new ATOM 0 HA LYS A 38 12.123 10.973 3.996 1.00 3.34 H new ATOM 0 HB2 LYS A 38 12.301 8.883 1.818 1.00 2.24 H new ATOM 0 HB3 LYS A 38 11.561 10.460 1.629 1.00 2.24 H new ATOM 0 HG2 LYS A 38 13.698 11.559 2.182 1.00 30.01 H new ATOM 0 HG3 LYS A 38 14.450 10.001 2.462 1.00 30.01 H new ATOM 0 HD2 LYS A 38 15.044 10.821 0.261 1.00 12.34 H new ATOM 0 HD3 LYS A 38 14.065 9.374 0.116 1.00 12.34 H new ATOM 0 HE2 LYS A 38 13.345 11.053 -1.510 1.00 32.54 H new ATOM 0 HE3 LYS A 38 12.066 10.738 -0.354 1.00 32.54 H new ATOM 0 HZ1 LYS A 38 12.347 13.085 -0.810 1.00 65.21 H new ATOM 0 HZ2 LYS A 38 12.644 12.735 0.825 1.00 65.21 H new ATOM 0 HZ3 LYS A 38 13.942 13.028 -0.230 1.00 65.21 H new ATOM 323 N PHE A 39 10.403 8.212 4.054 1.00 74.31 N ATOM 324 CA PHE A 39 9.098 7.634 4.374 1.00 75.25 C ATOM 325 C PHE A 39 8.658 8.177 5.753 1.00 11.21 C ATOM 326 O PHE A 39 7.489 8.488 5.987 1.00 13.21 O ATOM 327 CB PHE A 39 9.233 6.090 4.411 1.00 21.21 C ATOM 328 CG PHE A 39 7.940 5.320 4.531 1.00 11.14 C ATOM 329 CD1 PHE A 39 7.287 5.191 5.750 1.00 72.33 C ATOM 330 CD2 PHE A 39 7.385 4.710 3.414 1.00 14.44 C ATOM 331 CE1 PHE A 39 6.111 4.477 5.851 1.00 23.44 C ATOM 332 CE2 PHE A 39 6.208 3.993 3.509 1.00 1.13 C ATOM 333 CZ PHE A 39 5.569 3.879 4.728 1.00 62.23 C ATOM 0 H PHE A 39 11.145 7.522 3.939 1.00 74.31 H new ATOM 0 HA PHE A 39 8.352 7.902 3.626 1.00 75.25 H new ATOM 0 HB2 PHE A 39 9.743 5.767 3.504 1.00 21.21 H new ATOM 0 HB3 PHE A 39 9.874 5.820 5.250 1.00 21.21 H new ATOM 0 HD1 PHE A 39 7.705 5.656 6.630 1.00 72.33 H new ATOM 0 HD2 PHE A 39 7.880 4.797 2.458 1.00 14.44 H new ATOM 0 HE1 PHE A 39 5.614 4.385 6.806 1.00 23.44 H new ATOM 0 HE2 PHE A 39 5.788 3.523 2.632 1.00 1.13 H new ATOM 0 HZ PHE A 39 4.646 3.323 4.804 1.00 62.23 H new ATOM 343 N HIS A 40 9.640 8.307 6.630 1.00 32.25 N ATOM 344 CA HIS A 40 9.460 8.828 7.975 1.00 2.51 C ATOM 345 C HIS A 40 9.028 10.310 7.963 1.00 2.31 C ATOM 346 O HIS A 40 8.247 10.736 8.812 1.00 71.34 O ATOM 347 CB HIS A 40 10.778 8.639 8.768 1.00 53.43 C ATOM 348 CG HIS A 40 10.784 9.153 10.190 1.00 72.44 C ATOM 349 ND1 HIS A 40 9.950 8.923 11.226 1.00 14.24 N flip ATOM 350 CD2 HIS A 40 11.785 9.957 10.690 1.00 41.40 C flip ATOM 351 CE1 HIS A 40 10.457 9.584 12.311 1.00 33.30 C flip ATOM 352 NE2 HIS A 40 11.561 10.197 11.961 1.00 71.34 N flip ATOM 0 H HIS A 40 10.604 8.048 6.422 1.00 32.25 H new ATOM 0 HA HIS A 40 8.658 8.274 8.462 1.00 2.51 H new ATOM 0 HB2 HIS A 40 11.016 7.575 8.788 1.00 53.43 H new ATOM 0 HB3 HIS A 40 11.580 9.135 8.222 1.00 53.43 H new ATOM 0 HD1 HIS A 40 9.099 8.361 11.204 1.00 14.24 H new ATOM 0 HD2 HIS A 40 12.625 10.332 10.124 1.00 41.40 H new ATOM 0 HE1 HIS A 40 10.018 9.598 13.298 1.00 33.30 H new ATOM 361 N HIS A 41 9.533 11.083 7.009 1.00 62.21 N ATOM 362 CA HIS A 41 9.215 12.519 6.954 1.00 1.50 C ATOM 363 C HIS A 41 7.830 12.771 6.406 1.00 64.43 C ATOM 364 O HIS A 41 7.037 13.494 7.015 1.00 3.21 O ATOM 365 CB HIS A 41 10.218 13.338 6.119 1.00 12.44 C ATOM 366 CG HIS A 41 11.628 13.291 6.573 1.00 44.11 C ATOM 367 ND1 HIS A 41 12.036 13.672 7.827 1.00 33.02 N ATOM 368 CD2 HIS A 41 12.732 12.879 5.937 1.00 0.33 C ATOM 369 CE1 HIS A 41 13.330 13.489 7.938 1.00 43.34 C ATOM 370 NE2 HIS A 41 13.776 13.004 6.804 1.00 23.20 N ATOM 0 H HIS A 41 10.155 10.754 6.271 1.00 62.21 H new ATOM 0 HA HIS A 41 9.275 12.850 7.991 1.00 1.50 H new ATOM 0 HB2 HIS A 41 10.176 12.986 5.088 1.00 12.44 H new ATOM 0 HB3 HIS A 41 9.893 14.378 6.114 1.00 12.44 H new ATOM 0 HD2 HIS A 41 12.785 12.514 4.922 1.00 0.33 H new ATOM 0 HE1 HIS A 41 13.926 13.701 8.813 1.00 43.34 H new ATOM 0 HE2 HIS A 41 14.746 12.760 6.604 1.00 23.20 H new ATOM 379 N MET A 42 7.545 12.170 5.270 1.00 71.13 N ATOM 380 CA MET A 42 6.308 12.422 4.520 1.00 31.44 C ATOM 381 C MET A 42 5.023 12.110 5.300 1.00 25.53 C ATOM 382 O MET A 42 3.986 12.742 5.073 1.00 73.22 O ATOM 383 CB MET A 42 6.340 11.721 3.139 1.00 4.33 C ATOM 384 CG MET A 42 6.360 10.186 3.142 1.00 71.44 C ATOM 385 SD MET A 42 4.774 9.434 3.614 1.00 21.20 S ATOM 386 CE MET A 42 5.170 7.696 3.529 1.00 63.21 C ATOM 0 H MET A 42 8.161 11.487 4.829 1.00 71.13 H new ATOM 0 HA MET A 42 6.274 13.499 4.354 1.00 31.44 H new ATOM 0 HB2 MET A 42 5.469 12.048 2.572 1.00 4.33 H new ATOM 0 HB3 MET A 42 7.221 12.071 2.601 1.00 4.33 H new ATOM 0 HG2 MET A 42 6.638 9.833 2.149 1.00 71.44 H new ATOM 0 HG3 MET A 42 7.133 9.843 3.830 1.00 71.44 H new ATOM 0 HE1 MET A 42 4.387 7.171 2.982 1.00 63.21 H new ATOM 0 HE2 MET A 42 6.122 7.564 3.015 1.00 63.21 H new ATOM 0 HE3 MET A 42 5.243 7.290 4.538 1.00 63.21 H new ATOM 396 N PHE A 43 5.080 11.155 6.216 1.00 32.33 N ATOM 397 CA PHE A 43 3.895 10.808 6.981 1.00 71.45 C ATOM 398 C PHE A 43 3.787 11.694 8.216 1.00 41.22 C ATOM 399 O PHE A 43 2.689 12.010 8.672 1.00 65.21 O ATOM 400 CB PHE A 43 3.904 9.317 7.384 1.00 0.20 C ATOM 401 CG PHE A 43 2.623 8.850 8.056 1.00 30.30 C ATOM 402 CD1 PHE A 43 2.462 8.933 9.436 1.00 11.32 C ATOM 403 CD2 PHE A 43 1.585 8.334 7.302 1.00 5.41 C ATOM 404 CE1 PHE A 43 1.294 8.512 10.040 1.00 70.34 C ATOM 405 CE2 PHE A 43 0.412 7.912 7.904 1.00 44.11 C ATOM 406 CZ PHE A 43 0.268 8.001 9.273 1.00 55.11 C ATOM 0 H PHE A 43 5.916 10.617 6.444 1.00 32.33 H new ATOM 0 HA PHE A 43 3.023 10.976 6.349 1.00 71.45 H new ATOM 0 HB2 PHE A 43 4.077 8.712 6.494 1.00 0.20 H new ATOM 0 HB3 PHE A 43 4.742 9.139 8.058 1.00 0.20 H new ATOM 0 HD1 PHE A 43 3.262 9.332 10.043 1.00 11.32 H new ATOM 0 HD2 PHE A 43 1.691 8.259 6.230 1.00 5.41 H new ATOM 0 HE1 PHE A 43 1.184 8.583 11.112 1.00 70.34 H new ATOM 0 HE2 PHE A 43 -0.391 7.513 7.302 1.00 44.11 H new ATOM 0 HZ PHE A 43 -0.647 7.671 9.743 1.00 55.11 H new ATOM 416 N ALA A 44 4.923 12.100 8.741 1.00 34.22 N ATOM 417 CA ALA A 44 4.955 12.911 9.943 1.00 35.13 C ATOM 418 C ALA A 44 4.609 14.359 9.634 1.00 25.22 C ATOM 419 O ALA A 44 3.836 14.995 10.355 1.00 42.45 O ATOM 420 CB ALA A 44 6.315 12.813 10.618 1.00 3.15 C ATOM 0 H ALA A 44 5.841 11.882 8.354 1.00 34.22 H new ATOM 0 HA ALA A 44 4.202 12.527 10.631 1.00 35.13 H new ATOM 0 HB1 ALA A 44 6.320 13.428 11.518 1.00 3.15 H new ATOM 0 HB2 ALA A 44 6.514 11.776 10.887 1.00 3.15 H new ATOM 0 HB3 ALA A 44 7.087 13.165 9.934 1.00 3.15 H new ATOM 426 N GLY A 45 5.168 14.871 8.564 1.00 2.01 N ATOM 427 CA GLY A 45 4.917 16.236 8.175 1.00 43.12 C ATOM 428 C GLY A 45 3.674 16.334 7.338 1.00 13.44 C ATOM 429 O GLY A 45 3.222 15.333 6.783 1.00 34.31 O ATOM 0 H GLY A 45 5.800 14.361 7.947 1.00 2.01 H new ATOM 0 HA2 GLY A 45 4.812 16.858 9.064 1.00 43.12 H new ATOM 0 HA3 GLY A 45 5.769 16.621 7.615 1.00 43.12 H new ATOM 433 N LYS A 46 3.105 17.513 7.248 1.00 34.21 N ATOM 434 CA LYS A 46 1.887 17.694 6.481 1.00 43.44 C ATOM 435 C LYS A 46 2.100 18.537 5.236 1.00 13.30 C ATOM 436 O LYS A 46 2.195 19.764 5.320 1.00 50.31 O ATOM 437 CB LYS A 46 0.719 18.291 7.312 1.00 71.40 C ATOM 438 CG LYS A 46 0.110 17.381 8.387 1.00 21.20 C ATOM 439 CD LYS A 46 1.046 17.097 9.542 1.00 62.20 C ATOM 440 CE LYS A 46 0.406 16.152 10.547 1.00 34.23 C ATOM 441 NZ LYS A 46 -0.868 16.686 11.091 1.00 34.22 N ATOM 0 H LYS A 46 3.461 18.359 7.692 1.00 34.21 H new ATOM 0 HA LYS A 46 1.605 16.685 6.179 1.00 43.44 H new ATOM 0 HB2 LYS A 46 1.074 19.201 7.796 1.00 71.40 H new ATOM 0 HB3 LYS A 46 -0.074 18.585 6.624 1.00 71.40 H new ATOM 0 HG2 LYS A 46 -0.798 17.845 8.772 1.00 21.20 H new ATOM 0 HG3 LYS A 46 -0.184 16.437 7.928 1.00 21.20 H new ATOM 0 HD2 LYS A 46 1.971 16.660 9.165 1.00 62.20 H new ATOM 0 HD3 LYS A 46 1.313 18.031 10.036 1.00 62.20 H new ATOM 0 HE2 LYS A 46 0.220 15.190 10.070 1.00 34.23 H new ATOM 0 HE3 LYS A 46 1.101 15.972 11.367 1.00 34.23 H new ATOM 0 HZ1 LYS A 46 -1.153 16.127 11.920 1.00 34.22 H new ATOM 0 HZ2 LYS A 46 -0.737 17.679 11.372 1.00 34.22 H new ATOM 0 HZ3 LYS A 46 -1.608 16.627 10.363 1.00 34.22 H new ATOM 455 N PRO A 47 2.228 17.898 4.071 1.00 71.14 N ATOM 456 CA PRO A 47 2.249 18.600 2.804 1.00 64.22 C ATOM 457 C PRO A 47 0.810 18.962 2.435 1.00 23.44 C ATOM 458 O PRO A 47 -0.122 18.239 2.820 1.00 21.22 O ATOM 459 CB PRO A 47 2.811 17.556 1.810 1.00 61.42 C ATOM 460 CG PRO A 47 3.182 16.361 2.635 1.00 40.42 C ATOM 461 CD PRO A 47 2.374 16.451 3.889 1.00 22.03 C ATOM 0 HA PRO A 47 2.838 19.517 2.813 1.00 64.22 H new ATOM 0 HB2 PRO A 47 2.068 17.295 1.056 1.00 61.42 H new ATOM 0 HB3 PRO A 47 3.678 17.949 1.280 1.00 61.42 H new ATOM 0 HG2 PRO A 47 2.967 15.436 2.099 1.00 40.42 H new ATOM 0 HG3 PRO A 47 4.249 16.359 2.859 1.00 40.42 H new ATOM 0 HD2 PRO A 47 1.408 15.956 3.786 1.00 22.03 H new ATOM 0 HD3 PRO A 47 2.882 15.985 4.733 1.00 22.03 H new ATOM 469 N HIS A 48 0.605 20.053 1.716 1.00 20.11 N ATOM 470 CA HIS A 48 -0.760 20.460 1.378 1.00 52.35 C ATOM 471 C HIS A 48 -1.364 19.453 0.399 1.00 64.10 C ATOM 472 O HIS A 48 -2.563 19.206 0.401 1.00 23.24 O ATOM 473 CB HIS A 48 -0.805 21.887 0.818 1.00 54.24 C ATOM 474 CG HIS A 48 -2.200 22.443 0.711 1.00 1.03 C ATOM 475 ND1 HIS A 48 -2.776 23.185 1.713 1.00 14.01 N ATOM 476 CD2 HIS A 48 -3.129 22.364 -0.271 1.00 13.43 C ATOM 477 CE1 HIS A 48 -3.990 23.535 1.362 1.00 70.23 C ATOM 478 NE2 HIS A 48 -4.233 23.052 0.159 1.00 3.22 N ATOM 0 H HIS A 48 1.341 20.663 1.360 1.00 20.11 H new ATOM 0 HA HIS A 48 -1.358 20.467 2.289 1.00 52.35 H new ATOM 0 HB2 HIS A 48 -0.210 22.539 1.457 1.00 54.24 H new ATOM 0 HB3 HIS A 48 -0.341 21.897 -0.168 1.00 54.24 H new ATOM 0 HD2 HIS A 48 -3.020 21.854 -1.217 1.00 13.43 H new ATOM 0 HE1 HIS A 48 -4.675 24.120 1.957 1.00 70.23 H new ATOM 0 HE2 HIS A 48 -5.100 23.171 -0.365 1.00 3.22 H new ATOM 487 N HIS A 49 -0.514 18.893 -0.425 1.00 60.43 N ATOM 488 CA HIS A 49 -0.853 17.803 -1.327 1.00 30.12 C ATOM 489 C HIS A 49 0.331 16.922 -1.455 1.00 11.51 C ATOM 490 O HIS A 49 1.449 17.341 -1.133 1.00 23.33 O ATOM 491 CB HIS A 49 -1.305 18.259 -2.732 1.00 35.23 C ATOM 492 CG HIS A 49 -2.662 18.864 -2.784 1.00 62.34 C ATOM 493 ND1 HIS A 49 -2.917 20.121 -3.264 1.00 11.21 N ATOM 494 CD2 HIS A 49 -3.854 18.355 -2.431 1.00 70.42 C ATOM 495 CE1 HIS A 49 -4.202 20.356 -3.202 1.00 23.44 C ATOM 496 NE2 HIS A 49 -4.793 19.302 -2.696 1.00 43.33 N ATOM 0 H HIS A 49 0.461 19.185 -0.494 1.00 60.43 H new ATOM 0 HA HIS A 49 -1.707 17.284 -0.893 1.00 30.12 H new ATOM 0 HB2 HIS A 49 -0.585 18.983 -3.113 1.00 35.23 H new ATOM 0 HB3 HIS A 49 -1.279 17.400 -3.403 1.00 35.23 H new ATOM 0 HD1 HIS A 49 -2.215 20.772 -3.615 1.00 11.21 H new ATOM 0 HD2 HIS A 49 -4.033 17.375 -2.014 1.00 70.42 H new ATOM 0 HE1 HIS A 49 -4.693 21.266 -3.515 1.00 23.44 H new ATOM 505 N VAL A 50 0.117 15.724 -1.907 1.00 21.30 N ATOM 506 CA VAL A 50 1.198 14.800 -2.113 1.00 60.41 C ATOM 507 C VAL A 50 2.045 15.243 -3.297 1.00 34.02 C ATOM 508 O VAL A 50 1.610 16.097 -4.113 1.00 34.10 O ATOM 509 CB VAL A 50 0.693 13.351 -2.331 1.00 5.32 C ATOM 510 CG1 VAL A 50 -0.068 12.850 -1.112 1.00 55.12 C ATOM 511 CG2 VAL A 50 -0.166 13.239 -3.590 1.00 12.34 C ATOM 0 H VAL A 50 -0.805 15.358 -2.143 1.00 21.30 H new ATOM 0 HA VAL A 50 1.806 14.801 -1.209 1.00 60.41 H new ATOM 0 HB VAL A 50 1.569 12.718 -2.471 1.00 5.32 H new ATOM 0 HG11 VAL A 50 -0.411 11.831 -1.291 1.00 55.12 H new ATOM 0 HG12 VAL A 50 0.589 12.864 -0.242 1.00 55.12 H new ATOM 0 HG13 VAL A 50 -0.927 13.496 -0.929 1.00 55.12 H new ATOM 0 HG21 VAL A 50 -0.502 12.209 -3.711 1.00 12.34 H new ATOM 0 HG22 VAL A 50 -1.032 13.895 -3.499 1.00 12.34 H new ATOM 0 HG23 VAL A 50 0.422 13.533 -4.459 1.00 12.34 H new ATOM 521 N SER A 51 3.232 14.708 -3.381 1.00 10.42 N ATOM 522 CA SER A 51 4.152 15.032 -4.442 1.00 12.42 C ATOM 523 C SER A 51 3.601 14.712 -5.816 1.00 65.24 C ATOM 524 O SER A 51 2.872 13.717 -6.001 1.00 44.44 O ATOM 525 CB SER A 51 5.449 14.318 -4.226 1.00 21.34 C ATOM 526 OG SER A 51 5.231 12.936 -4.019 1.00 4.22 O ATOM 0 H SER A 51 3.593 14.029 -2.711 1.00 10.42 H new ATOM 0 HA SER A 51 4.312 16.110 -4.411 1.00 12.42 H new ATOM 0 HB2 SER A 51 6.098 14.463 -5.090 1.00 21.34 H new ATOM 0 HB3 SER A 51 5.965 14.743 -3.365 1.00 21.34 H new ATOM 0 HG SER A 51 5.156 12.757 -3.058 1.00 4.22 H new ATOM 532 N LYS A 52 3.967 15.563 -6.765 1.00 63.44 N ATOM 533 CA LYS A 52 3.553 15.493 -8.149 1.00 65.21 C ATOM 534 C LYS A 52 2.046 15.676 -8.277 1.00 14.01 C ATOM 535 O LYS A 52 1.587 16.789 -8.533 1.00 32.41 O ATOM 536 CB LYS A 52 4.013 14.196 -8.833 1.00 12.31 C ATOM 537 CG LYS A 52 3.748 14.175 -10.330 1.00 61.03 C ATOM 538 CD LYS A 52 4.125 12.847 -10.950 1.00 20.31 C ATOM 539 CE LYS A 52 5.583 12.488 -10.699 1.00 55.11 C ATOM 540 NZ LYS A 52 5.965 11.236 -11.379 1.00 3.14 N ATOM 0 H LYS A 52 4.586 16.352 -6.578 1.00 63.44 H new ATOM 0 HA LYS A 52 4.044 16.315 -8.670 1.00 65.21 H new ATOM 0 HB2 LYS A 52 5.081 14.061 -8.659 1.00 12.31 H new ATOM 0 HB3 LYS A 52 3.505 13.350 -8.370 1.00 12.31 H new ATOM 0 HG2 LYS A 52 2.693 14.376 -10.515 1.00 61.03 H new ATOM 0 HG3 LYS A 52 4.313 14.974 -10.810 1.00 61.03 H new ATOM 0 HD2 LYS A 52 3.485 12.064 -10.544 1.00 20.31 H new ATOM 0 HD3 LYS A 52 3.941 12.884 -12.024 1.00 20.31 H new ATOM 0 HE2 LYS A 52 6.222 13.300 -11.047 1.00 55.11 H new ATOM 0 HE3 LYS A 52 5.753 12.386 -9.627 1.00 55.11 H new ATOM 0 HZ1 LYS A 52 6.965 11.026 -11.184 1.00 3.14 H new ATOM 0 HZ2 LYS A 52 5.373 10.456 -11.029 1.00 3.14 H new ATOM 0 HZ3 LYS A 52 5.828 11.342 -12.404 1.00 3.14 H new ATOM 554 N ALA A 53 1.292 14.585 -8.030 1.00 32.30 N ATOM 555 CA ALA A 53 -0.180 14.521 -8.129 1.00 13.55 C ATOM 556 C ALA A 53 -0.674 14.803 -9.548 1.00 2.05 C ATOM 557 O ALA A 53 -1.240 13.936 -10.209 1.00 30.42 O ATOM 558 CB ALA A 53 -0.854 15.446 -7.114 1.00 11.01 C ATOM 0 H ALA A 53 1.705 13.696 -7.747 1.00 32.30 H new ATOM 0 HA ALA A 53 -0.466 13.498 -7.886 1.00 13.55 H new ATOM 0 HB1 ALA A 53 -1.937 15.372 -7.217 1.00 11.01 H new ATOM 0 HB2 ALA A 53 -0.564 15.152 -6.105 1.00 11.01 H new ATOM 0 HB3 ALA A 53 -0.542 16.474 -7.296 1.00 11.01 H new ATOM 564 N SER A 54 -0.438 15.991 -9.995 1.00 32.31 N ATOM 565 CA SER A 54 -0.828 16.444 -11.275 1.00 52.33 C ATOM 566 C SER A 54 0.266 16.112 -12.285 1.00 74.23 C ATOM 567 O SER A 54 1.446 16.022 -11.916 1.00 22.50 O ATOM 568 CB SER A 54 -0.957 17.958 -11.199 1.00 34.45 C ATOM 569 OG SER A 54 -1.782 18.342 -10.111 1.00 42.14 O ATOM 0 H SER A 54 0.054 16.698 -9.449 1.00 32.31 H new ATOM 0 HA SER A 54 -1.763 15.974 -11.578 1.00 52.33 H new ATOM 0 HB2 SER A 54 0.030 18.406 -11.088 1.00 34.45 H new ATOM 0 HB3 SER A 54 -1.376 18.338 -12.130 1.00 34.45 H new ATOM 0 HG SER A 54 -2.594 17.793 -10.106 1.00 42.14 H new ATOM 575 N PRO A 55 -0.092 15.900 -13.556 1.00 54.11 N ATOM 576 CA PRO A 55 0.885 15.799 -14.632 1.00 74.35 C ATOM 577 C PRO A 55 1.319 17.228 -15.007 1.00 61.12 C ATOM 578 O PRO A 55 1.320 18.129 -14.147 1.00 14.11 O ATOM 579 CB PRO A 55 0.072 15.164 -15.792 1.00 5.21 C ATOM 580 CG PRO A 55 -1.251 14.794 -15.208 1.00 73.42 C ATOM 581 CD PRO A 55 -1.460 15.702 -14.046 1.00 51.53 C ATOM 0 HA PRO A 55 1.777 15.224 -14.385 1.00 74.35 H new ATOM 0 HB2 PRO A 55 -0.048 15.867 -16.616 1.00 5.21 H new ATOM 0 HB3 PRO A 55 0.581 14.287 -16.192 1.00 5.21 H new ATOM 0 HG2 PRO A 55 -2.048 14.912 -15.943 1.00 73.42 H new ATOM 0 HG3 PRO A 55 -1.260 13.750 -14.893 1.00 73.42 H new ATOM 0 HD2 PRO A 55 -1.926 16.642 -14.343 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -2.102 15.253 -13.289 1.00 51.53 H new ATOM 589 N GLY A 56 1.666 17.459 -16.253 1.00 61.44 N ATOM 590 CA GLY A 56 1.999 18.811 -16.678 1.00 55.33 C ATOM 591 C GLY A 56 0.734 19.620 -16.944 1.00 30.01 C ATOM 592 O GLY A 56 0.582 20.228 -17.998 1.00 0.31 O ATOM 0 H GLY A 56 1.726 16.748 -16.982 1.00 61.44 H new ATOM 0 HA2 GLY A 56 2.596 19.302 -15.910 1.00 55.33 H new ATOM 0 HA3 GLY A 56 2.609 18.774 -17.580 1.00 55.33 H new ATOM 596 N ASN A 57 -0.160 19.609 -15.979 1.00 0.33 N ATOM 597 CA ASN A 57 -1.466 20.228 -16.071 1.00 43.15 C ATOM 598 C ASN A 57 -1.778 20.805 -14.690 1.00 4.31 C ATOM 599 O ASN A 57 -1.344 20.247 -13.674 1.00 25.31 O ATOM 600 CB ASN A 57 -2.504 19.132 -16.448 1.00 33.33 C ATOM 601 CG ASN A 57 -3.915 19.642 -16.777 1.00 4.35 C ATOM 602 OD1 ASN A 57 -4.369 20.667 -16.285 1.00 10.41 O ATOM 603 ND2 ASN A 57 -4.620 18.898 -17.591 1.00 74.33 N ATOM 0 H ASN A 57 0.007 19.155 -15.081 1.00 0.33 H new ATOM 0 HA ASN A 57 -1.498 21.014 -16.826 1.00 43.15 H new ATOM 0 HB2 ASN A 57 -2.127 18.580 -17.309 1.00 33.33 H new ATOM 0 HB3 ASN A 57 -2.576 18.425 -15.622 1.00 33.33 H new ATOM 0 HD21 ASN A 57 -5.574 19.167 -17.831 1.00 74.33 H new ATOM 0 HD22 ASN A 57 -4.215 18.049 -17.986 1.00 74.33 H new ATOM 610 N ILE A 58 -2.490 21.897 -14.644 1.00 61.40 N ATOM 611 CA ILE A 58 -2.818 22.553 -13.402 1.00 73.02 C ATOM 612 C ILE A 58 -4.056 21.942 -12.764 1.00 3.13 C ATOM 613 O ILE A 58 -5.163 22.027 -13.302 1.00 73.14 O ATOM 614 CB ILE A 58 -3.035 24.078 -13.597 1.00 2.31 C ATOM 615 CG1 ILE A 58 -1.726 24.747 -14.044 1.00 25.44 C ATOM 616 CG2 ILE A 58 -3.579 24.718 -12.321 1.00 73.54 C ATOM 617 CD1 ILE A 58 -1.842 26.238 -14.295 1.00 54.32 C ATOM 0 H ILE A 58 -2.863 22.362 -15.471 1.00 61.40 H new ATOM 0 HA ILE A 58 -1.967 22.406 -12.737 1.00 73.02 H new ATOM 0 HB ILE A 58 -3.778 24.227 -14.380 1.00 2.31 H new ATOM 0 HG12 ILE A 58 -0.966 24.577 -13.282 1.00 25.44 H new ATOM 0 HG13 ILE A 58 -1.377 24.263 -14.956 1.00 25.44 H new ATOM 0 HG21 ILE A 58 -3.723 25.786 -12.483 1.00 73.54 H new ATOM 0 HG22 ILE A 58 -4.533 24.259 -12.062 1.00 73.54 H new ATOM 0 HG23 ILE A 58 -2.870 24.566 -11.507 1.00 73.54 H new ATOM 0 HD11 ILE A 58 -0.874 26.631 -14.606 1.00 54.32 H new ATOM 0 HD12 ILE A 58 -2.577 26.419 -15.080 1.00 54.32 H new ATOM 0 HD13 ILE A 58 -2.159 26.738 -13.379 1.00 54.32 H new ATOM 629 N GLN A 59 -3.859 21.323 -11.638 1.00 70.31 N ATOM 630 CA GLN A 59 -4.951 20.757 -10.875 1.00 71.35 C ATOM 631 C GLN A 59 -5.045 21.440 -9.529 1.00 15.13 C ATOM 632 O GLN A 59 -4.074 22.057 -9.056 1.00 21.11 O ATOM 633 CB GLN A 59 -4.765 19.264 -10.656 1.00 71.43 C ATOM 634 CG GLN A 59 -4.725 18.436 -11.917 1.00 62.01 C ATOM 635 CD GLN A 59 -4.519 16.964 -11.611 1.00 11.14 C ATOM 636 OE1 GLN A 59 -3.890 16.609 -10.609 1.00 62.21 O ATOM 637 NE2 GLN A 59 -5.035 16.104 -12.449 1.00 62.13 N ATOM 0 H GLN A 59 -2.940 21.192 -11.216 1.00 70.31 H new ATOM 0 HA GLN A 59 -5.867 20.914 -11.445 1.00 71.35 H new ATOM 0 HB2 GLN A 59 -3.838 19.105 -10.105 1.00 71.43 H new ATOM 0 HB3 GLN A 59 -5.577 18.900 -10.026 1.00 71.43 H new ATOM 0 HG2 GLN A 59 -5.656 18.567 -12.469 1.00 62.01 H new ATOM 0 HG3 GLN A 59 -3.920 18.791 -12.561 1.00 62.01 H new ATOM 0 HE21 GLN A 59 -5.548 16.434 -13.266 1.00 62.13 H new ATOM 0 HE22 GLN A 59 -4.924 15.103 -12.286 1.00 62.13 H new ATOM 646 N GLY A 60 -6.181 21.331 -8.924 1.00 32.33 N ATOM 647 CA GLY A 60 -6.402 21.888 -7.636 1.00 20.34 C ATOM 648 C GLY A 60 -7.356 21.030 -6.876 1.00 50.55 C ATOM 649 O GLY A 60 -7.609 19.891 -7.287 1.00 54.24 O ATOM 0 H GLY A 60 -6.989 20.847 -9.316 1.00 32.33 H new ATOM 0 HA2 GLY A 60 -5.458 21.966 -7.096 1.00 20.34 H new ATOM 0 HA3 GLY A 60 -6.801 22.898 -7.729 1.00 20.34 H new ATOM 653 N CYS A 61 -7.887 21.562 -5.789 1.00 51.04 N ATOM 654 CA CYS A 61 -8.852 20.872 -4.934 1.00 51.13 C ATOM 655 C CYS A 61 -8.202 19.708 -4.171 1.00 41.11 C ATOM 656 O CYS A 61 -7.113 19.245 -4.517 1.00 52.45 O ATOM 657 CB CYS A 61 -10.084 20.417 -5.745 1.00 64.23 C ATOM 658 SG CYS A 61 -10.953 21.775 -6.571 1.00 12.51 S ATOM 0 H CYS A 61 -7.659 22.502 -5.465 1.00 51.04 H new ATOM 0 HA CYS A 61 -9.200 21.582 -4.184 1.00 51.13 H new ATOM 0 HB2 CYS A 61 -9.767 19.691 -6.494 1.00 64.23 H new ATOM 0 HB3 CYS A 61 -10.778 19.905 -5.078 1.00 64.23 H new ATOM 0 HG CYS A 61 -11.970 21.303 -7.229 1.00 12.51 H new ATOM 664 N ASP A 62 -8.849 19.258 -3.136 1.00 55.25 N ATOM 665 CA ASP A 62 -8.316 18.194 -2.307 1.00 51.44 C ATOM 666 C ASP A 62 -9.173 16.964 -2.427 1.00 25.01 C ATOM 667 O ASP A 62 -10.362 17.056 -2.761 1.00 30.10 O ATOM 668 CB ASP A 62 -8.234 18.632 -0.834 1.00 50.44 C ATOM 669 CG ASP A 62 -7.321 19.820 -0.613 1.00 11.33 C ATOM 670 OD1 ASP A 62 -6.110 19.627 -0.439 1.00 12.54 O ATOM 671 OD2 ASP A 62 -7.804 20.971 -0.611 1.00 0.22 O ATOM 0 H ASP A 62 -9.758 19.610 -2.836 1.00 55.25 H new ATOM 0 HA ASP A 62 -7.309 17.966 -2.655 1.00 51.44 H new ATOM 0 HB2 ASP A 62 -9.234 18.880 -0.480 1.00 50.44 H new ATOM 0 HB3 ASP A 62 -7.881 17.794 -0.232 1.00 50.44 H new ATOM 676 N LEU A 63 -8.593 15.815 -2.166 1.00 63.31 N ATOM 677 CA LEU A 63 -9.324 14.573 -2.220 1.00 22.31 C ATOM 678 C LEU A 63 -10.006 14.358 -0.890 1.00 33.35 C ATOM 679 O LEU A 63 -9.359 13.993 0.100 1.00 13.24 O ATOM 680 CB LEU A 63 -8.413 13.356 -2.561 1.00 35.04 C ATOM 681 CG LEU A 63 -7.691 13.343 -3.937 1.00 1.30 C ATOM 682 CD1 LEU A 63 -8.673 13.503 -5.084 1.00 60.34 C ATOM 683 CD2 LEU A 63 -6.564 14.373 -4.014 1.00 43.23 C ATOM 0 H LEU A 63 -7.610 15.716 -1.913 1.00 63.31 H new ATOM 0 HA LEU A 63 -10.058 14.644 -3.022 1.00 22.31 H new ATOM 0 HB2 LEU A 63 -7.652 13.282 -1.785 1.00 35.04 H new ATOM 0 HB3 LEU A 63 -9.023 12.455 -2.496 1.00 35.04 H new ATOM 0 HG LEU A 63 -7.225 12.363 -4.036 1.00 1.30 H new ATOM 0 HD11 LEU A 63 -8.132 13.489 -6.030 1.00 60.34 H new ATOM 0 HD12 LEU A 63 -9.392 12.684 -5.065 1.00 60.34 H new ATOM 0 HD13 LEU A 63 -9.201 14.451 -4.981 1.00 60.34 H new ATOM 0 HD21 LEU A 63 -6.092 14.323 -4.995 1.00 43.23 H new ATOM 0 HD22 LEU A 63 -6.972 15.372 -3.858 1.00 43.23 H new ATOM 0 HD23 LEU A 63 -5.823 14.160 -3.244 1.00 43.23 H new ATOM 695 N HIS A 64 -11.286 14.621 -0.852 1.00 44.21 N ATOM 696 CA HIS A 64 -12.043 14.505 0.373 1.00 75.33 C ATOM 697 C HIS A 64 -12.604 13.091 0.528 1.00 34.45 C ATOM 698 O HIS A 64 -13.044 12.705 1.610 1.00 15.31 O ATOM 699 CB HIS A 64 -13.167 15.561 0.422 1.00 32.31 C ATOM 700 CG HIS A 64 -13.932 15.584 1.718 1.00 63.41 C ATOM 701 ND1 HIS A 64 -15.221 15.118 1.843 1.00 10.51 N ATOM 702 CD2 HIS A 64 -13.582 16.036 2.944 1.00 34.22 C ATOM 703 CE1 HIS A 64 -15.623 15.281 3.084 1.00 14.31 C ATOM 704 NE2 HIS A 64 -14.648 15.834 3.770 1.00 14.12 N ATOM 0 H HIS A 64 -11.832 14.919 -1.660 1.00 44.21 H new ATOM 0 HA HIS A 64 -11.373 14.693 1.212 1.00 75.33 H new ATOM 0 HB2 HIS A 64 -12.733 16.546 0.251 1.00 32.31 H new ATOM 0 HB3 HIS A 64 -13.863 15.373 -0.395 1.00 32.31 H new ATOM 0 HD2 HIS A 64 -12.634 16.475 3.218 1.00 34.22 H new ATOM 0 HE1 HIS A 64 -16.592 15.007 3.474 1.00 14.31 H new ATOM 0 HE2 HIS A 64 -14.683 16.074 4.761 1.00 14.12 H new ATOM 713 N GLU A 65 -12.604 12.328 -0.554 1.00 44.34 N ATOM 714 CA GLU A 65 -13.044 10.951 -0.481 1.00 74.52 C ATOM 715 C GLU A 65 -11.978 10.098 0.173 1.00 4.01 C ATOM 716 O GLU A 65 -11.052 9.606 -0.489 1.00 24.55 O ATOM 717 CB GLU A 65 -13.440 10.376 -1.841 1.00 14.43 C ATOM 718 CG GLU A 65 -14.616 11.070 -2.490 1.00 54.12 C ATOM 719 CD GLU A 65 -15.041 10.393 -3.762 1.00 11.44 C ATOM 720 OE1 GLU A 65 -15.784 9.390 -3.685 1.00 43.51 O ATOM 721 OE2 GLU A 65 -14.655 10.860 -4.857 1.00 54.54 O ATOM 0 H GLU A 65 -12.308 12.637 -1.480 1.00 44.34 H new ATOM 0 HA GLU A 65 -13.946 10.937 0.131 1.00 74.52 H new ATOM 0 HB2 GLU A 65 -12.583 10.435 -2.511 1.00 14.43 H new ATOM 0 HB3 GLU A 65 -13.678 9.319 -1.721 1.00 14.43 H new ATOM 0 HG2 GLU A 65 -15.454 11.090 -1.793 1.00 54.12 H new ATOM 0 HG3 GLU A 65 -14.353 12.106 -2.702 1.00 54.12 H new ATOM 728 N GLY A 66 -12.079 9.985 1.464 1.00 31.23 N ATOM 729 CA GLY A 66 -11.137 9.237 2.208 1.00 51.40 C ATOM 730 C GLY A 66 -10.084 10.134 2.797 1.00 61.32 C ATOM 731 O GLY A 66 -10.295 11.352 2.900 1.00 35.41 O ATOM 0 H GLY A 66 -12.819 10.412 2.021 1.00 31.23 H new ATOM 0 HA2 GLY A 66 -11.645 8.694 3.005 1.00 51.40 H new ATOM 0 HA3 GLY A 66 -10.668 8.493 1.565 1.00 51.40 H new ATOM 735 N ASP A 67 -8.966 9.541 3.179 1.00 2.43 N ATOM 736 CA ASP A 67 -7.831 10.251 3.782 1.00 21.33 C ATOM 737 C ASP A 67 -8.205 10.906 5.106 1.00 53.41 C ATOM 738 O ASP A 67 -8.752 12.016 5.165 1.00 64.43 O ATOM 739 CB ASP A 67 -7.163 11.243 2.811 1.00 34.20 C ATOM 740 CG ASP A 67 -6.036 12.034 3.455 1.00 64.22 C ATOM 741 OD1 ASP A 67 -4.916 11.492 3.606 1.00 45.53 O ATOM 742 OD2 ASP A 67 -6.258 13.210 3.820 1.00 12.44 O ATOM 0 H ASP A 67 -8.810 8.538 3.081 1.00 2.43 H new ATOM 0 HA ASP A 67 -7.080 9.493 4.003 1.00 21.33 H new ATOM 0 HB2 ASP A 67 -6.772 10.696 1.953 1.00 34.20 H new ATOM 0 HB3 ASP A 67 -7.915 11.935 2.432 1.00 34.20 H new ATOM 747 N TRP A 68 -7.967 10.179 6.154 1.00 61.20 N ATOM 748 CA TRP A 68 -8.245 10.625 7.496 1.00 32.12 C ATOM 749 C TRP A 68 -6.942 11.010 8.182 1.00 22.34 C ATOM 750 O TRP A 68 -6.940 11.668 9.212 1.00 33.15 O ATOM 751 CB TRP A 68 -8.961 9.516 8.277 1.00 32.34 C ATOM 752 CG TRP A 68 -10.297 9.129 7.694 1.00 34.12 C ATOM 753 CD1 TRP A 68 -10.527 8.370 6.577 1.00 10.52 C ATOM 754 CD2 TRP A 68 -11.582 9.472 8.212 1.00 55.34 C ATOM 755 NE1 TRP A 68 -11.875 8.239 6.363 1.00 25.32 N ATOM 756 CE2 TRP A 68 -12.547 8.903 7.357 1.00 30.14 C ATOM 757 CE3 TRP A 68 -12.013 10.210 9.314 1.00 23.33 C ATOM 758 CZ2 TRP A 68 -13.911 9.049 7.573 1.00 33.20 C ATOM 759 CZ3 TRP A 68 -13.366 10.353 9.526 1.00 31.24 C ATOM 760 CH2 TRP A 68 -14.301 9.776 8.661 1.00 12.43 C ATOM 0 H TRP A 68 -7.567 9.242 6.106 1.00 61.20 H new ATOM 0 HA TRP A 68 -8.897 11.498 7.464 1.00 32.12 H new ATOM 0 HB2 TRP A 68 -8.320 8.635 8.310 1.00 32.34 H new ATOM 0 HB3 TRP A 68 -9.105 9.844 9.307 1.00 32.34 H new ATOM 0 HD1 TRP A 68 -9.758 7.937 5.955 1.00 10.52 H new ATOM 0 HE1 TRP A 68 -12.307 7.731 5.591 1.00 25.32 H new ATOM 0 HE3 TRP A 68 -11.299 10.661 9.988 1.00 23.33 H new ATOM 0 HZ2 TRP A 68 -14.635 8.605 6.906 1.00 33.20 H new ATOM 0 HZ3 TRP A 68 -13.712 10.922 10.377 1.00 31.24 H new ATOM 0 HH2 TRP A 68 -15.355 9.908 8.858 1.00 12.43 H new ATOM 771 N GLY A 69 -5.837 10.570 7.605 1.00 74.32 N ATOM 772 CA GLY A 69 -4.519 10.920 8.105 1.00 1.11 C ATOM 773 C GLY A 69 -4.063 10.097 9.299 1.00 11.11 C ATOM 774 O GLY A 69 -2.887 10.128 9.662 1.00 22.40 O ATOM 0 H GLY A 69 -5.827 9.965 6.784 1.00 74.32 H new ATOM 0 HA2 GLY A 69 -3.795 10.802 7.299 1.00 1.11 H new ATOM 0 HA3 GLY A 69 -4.517 11.974 8.383 1.00 1.11 H new ATOM 778 N THR A 70 -4.969 9.370 9.889 1.00 42.53 N ATOM 779 CA THR A 70 -4.703 8.588 11.069 1.00 71.31 C ATOM 780 C THR A 70 -4.953 7.098 10.806 1.00 43.13 C ATOM 781 O THR A 70 -5.320 6.714 9.696 1.00 15.12 O ATOM 782 CB THR A 70 -5.620 9.081 12.209 1.00 21.32 C ATOM 783 OG1 THR A 70 -6.979 9.150 11.721 1.00 42.22 O ATOM 784 CG2 THR A 70 -5.186 10.456 12.706 1.00 72.44 C ATOM 0 H THR A 70 -5.932 9.301 9.559 1.00 42.53 H new ATOM 0 HA THR A 70 -3.657 8.710 11.349 1.00 71.31 H new ATOM 0 HB THR A 70 -5.552 8.381 13.042 1.00 21.32 H new ATOM 0 HG1 THR A 70 -7.569 9.461 12.439 1.00 42.22 H new ATOM 0 HG21 THR A 70 -5.849 10.779 13.509 1.00 72.44 H new ATOM 0 HG22 THR A 70 -4.164 10.402 13.080 1.00 72.44 H new ATOM 0 HG23 THR A 70 -5.235 11.172 11.885 1.00 72.44 H new ATOM 792 N VAL A 71 -4.736 6.270 11.806 1.00 21.22 N ATOM 793 CA VAL A 71 -5.023 4.854 11.694 1.00 24.04 C ATOM 794 C VAL A 71 -6.544 4.659 11.523 1.00 3.21 C ATOM 795 O VAL A 71 -7.350 5.389 12.120 1.00 54.01 O ATOM 796 CB VAL A 71 -4.482 4.056 12.921 1.00 65.14 C ATOM 797 CG1 VAL A 71 -5.135 4.511 14.177 1.00 62.20 C ATOM 798 CG2 VAL A 71 -4.649 2.555 12.755 1.00 51.03 C ATOM 0 H VAL A 71 -4.360 6.554 12.710 1.00 21.22 H new ATOM 0 HA VAL A 71 -4.509 4.459 10.817 1.00 24.04 H new ATOM 0 HB VAL A 71 -3.413 4.260 12.982 1.00 65.14 H new ATOM 0 HG11 VAL A 71 -4.742 3.941 15.019 1.00 62.20 H new ATOM 0 HG12 VAL A 71 -4.931 5.571 14.330 1.00 62.20 H new ATOM 0 HG13 VAL A 71 -6.211 4.356 14.104 1.00 62.20 H new ATOM 0 HG21 VAL A 71 -4.257 2.046 13.635 1.00 51.03 H new ATOM 0 HG22 VAL A 71 -5.706 2.317 12.639 1.00 51.03 H new ATOM 0 HG23 VAL A 71 -4.103 2.224 11.871 1.00 51.03 H new ATOM 808 N GLY A 72 -6.924 3.730 10.678 1.00 42.21 N ATOM 809 CA GLY A 72 -8.318 3.527 10.387 1.00 63.23 C ATOM 810 C GLY A 72 -8.716 4.270 9.133 1.00 42.20 C ATOM 811 O GLY A 72 -9.838 4.129 8.645 1.00 2.43 O ATOM 0 H GLY A 72 -6.287 3.106 10.183 1.00 42.21 H new ATOM 0 HA2 GLY A 72 -8.518 2.463 10.264 1.00 63.23 H new ATOM 0 HA3 GLY A 72 -8.923 3.870 11.226 1.00 63.23 H new ATOM 815 N SER A 73 -7.784 5.060 8.613 1.00 40.33 N ATOM 816 CA SER A 73 -8.005 5.846 7.426 1.00 72.22 C ATOM 817 C SER A 73 -8.225 4.956 6.227 1.00 54.11 C ATOM 818 O SER A 73 -7.584 3.915 6.077 1.00 45.12 O ATOM 819 CB SER A 73 -6.808 6.773 7.160 1.00 14.41 C ATOM 820 OG SER A 73 -7.026 7.634 6.047 1.00 40.43 O ATOM 0 H SER A 73 -6.852 5.167 9.012 1.00 40.33 H new ATOM 0 HA SER A 73 -8.898 6.450 7.589 1.00 72.22 H new ATOM 0 HB2 SER A 73 -6.613 7.374 8.048 1.00 14.41 H new ATOM 0 HB3 SER A 73 -5.918 6.170 6.981 1.00 14.41 H new ATOM 0 HG SER A 73 -6.189 8.090 5.817 1.00 40.43 H new ATOM 826 N ILE A 74 -9.136 5.359 5.412 1.00 42.53 N ATOM 827 CA ILE A 74 -9.433 4.703 4.193 1.00 30.41 C ATOM 828 C ILE A 74 -9.114 5.654 3.073 1.00 74.14 C ATOM 829 O ILE A 74 -9.593 6.784 3.063 1.00 53.32 O ATOM 830 CB ILE A 74 -10.911 4.273 4.165 1.00 15.24 C ATOM 831 CG1 ILE A 74 -11.117 3.197 5.228 1.00 74.30 C ATOM 832 CG2 ILE A 74 -11.317 3.764 2.789 1.00 41.23 C ATOM 833 CD1 ILE A 74 -12.537 2.742 5.385 1.00 4.32 C ATOM 0 H ILE A 74 -9.713 6.182 5.584 1.00 42.53 H new ATOM 0 HA ILE A 74 -8.836 3.797 4.084 1.00 30.41 H new ATOM 0 HB ILE A 74 -11.544 5.134 4.380 1.00 15.24 H new ATOM 0 HG12 ILE A 74 -10.498 2.335 4.979 1.00 74.30 H new ATOM 0 HG13 ILE A 74 -10.763 3.578 6.186 1.00 74.30 H new ATOM 0 HG21 ILE A 74 -12.366 3.469 2.805 1.00 41.23 H new ATOM 0 HG22 ILE A 74 -11.173 4.554 2.052 1.00 41.23 H new ATOM 0 HG23 ILE A 74 -10.702 2.904 2.523 1.00 41.23 H new ATOM 0 HD11 ILE A 74 -12.591 1.978 6.160 1.00 4.32 H new ATOM 0 HD12 ILE A 74 -13.162 3.590 5.667 1.00 4.32 H new ATOM 0 HD13 ILE A 74 -12.893 2.327 4.442 1.00 4.32 H new ATOM 845 N VAL A 75 -8.277 5.233 2.181 1.00 44.41 N ATOM 846 CA VAL A 75 -7.841 6.062 1.074 1.00 63.34 C ATOM 847 C VAL A 75 -8.078 5.284 -0.207 1.00 62.23 C ATOM 848 O VAL A 75 -8.153 4.066 -0.171 1.00 4.13 O ATOM 849 CB VAL A 75 -6.313 6.421 1.202 1.00 32.40 C ATOM 850 CG1 VAL A 75 -5.864 7.389 0.109 1.00 11.32 C ATOM 851 CG2 VAL A 75 -5.987 6.989 2.578 1.00 72.31 C ATOM 0 H VAL A 75 -7.866 4.299 2.189 1.00 44.41 H new ATOM 0 HA VAL A 75 -8.401 6.997 1.074 1.00 63.34 H new ATOM 0 HB VAL A 75 -5.760 5.490 1.075 1.00 32.40 H new ATOM 0 HG11 VAL A 75 -4.804 7.611 0.233 1.00 11.32 H new ATOM 0 HG12 VAL A 75 -6.028 6.935 -0.869 1.00 11.32 H new ATOM 0 HG13 VAL A 75 -6.439 8.312 0.182 1.00 11.32 H new ATOM 0 HG21 VAL A 75 -4.924 7.226 2.631 1.00 72.31 H new ATOM 0 HG22 VAL A 75 -6.569 7.895 2.745 1.00 72.31 H new ATOM 0 HG23 VAL A 75 -6.234 6.253 3.343 1.00 72.31 H new ATOM 861 N PHE A 76 -8.243 5.973 -1.318 1.00 4.10 N ATOM 862 CA PHE A 76 -8.440 5.303 -2.577 1.00 44.14 C ATOM 863 C PHE A 76 -7.439 5.794 -3.567 1.00 33.03 C ATOM 864 O PHE A 76 -7.368 6.997 -3.852 1.00 21.11 O ATOM 865 CB PHE A 76 -9.863 5.516 -3.102 1.00 33.10 C ATOM 866 CG PHE A 76 -10.893 5.058 -2.132 1.00 51.22 C ATOM 867 CD1 PHE A 76 -10.853 3.774 -1.664 1.00 22.02 C ATOM 868 CD2 PHE A 76 -11.881 5.910 -1.672 1.00 22.23 C ATOM 869 CE1 PHE A 76 -11.760 3.322 -0.761 1.00 62.30 C ATOM 870 CE2 PHE A 76 -12.815 5.465 -0.759 1.00 51.34 C ATOM 871 CZ PHE A 76 -12.754 4.164 -0.301 1.00 21.42 C ATOM 0 H PHE A 76 -8.244 6.992 -1.370 1.00 4.10 H new ATOM 0 HA PHE A 76 -8.301 4.233 -2.425 1.00 44.14 H new ATOM 0 HB2 PHE A 76 -10.014 6.574 -3.318 1.00 33.10 H new ATOM 0 HB3 PHE A 76 -9.986 4.978 -4.042 1.00 33.10 H new ATOM 0 HD1 PHE A 76 -10.083 3.105 -2.020 1.00 22.02 H new ATOM 0 HD2 PHE A 76 -11.922 6.928 -2.029 1.00 22.23 H new ATOM 0 HE1 PHE A 76 -11.705 2.305 -0.402 1.00 62.30 H new ATOM 0 HE2 PHE A 76 -13.589 6.130 -0.405 1.00 51.34 H new ATOM 0 HZ PHE A 76 -13.480 3.806 0.414 1.00 21.42 H new ATOM 881 N TRP A 77 -6.674 4.895 -4.094 1.00 71.13 N ATOM 882 CA TRP A 77 -5.676 5.237 -5.026 1.00 50.24 C ATOM 883 C TRP A 77 -5.973 4.517 -6.334 1.00 70.14 C ATOM 884 O TRP A 77 -6.497 3.390 -6.332 1.00 1.03 O ATOM 885 CB TRP A 77 -4.313 4.854 -4.454 1.00 75.23 C ATOM 886 CG TRP A 77 -3.172 5.431 -5.206 1.00 64.54 C ATOM 887 CD1 TRP A 77 -2.569 4.896 -6.278 1.00 44.31 C ATOM 888 CD2 TRP A 77 -2.500 6.667 -4.928 1.00 41.40 C ATOM 889 NE1 TRP A 77 -1.550 5.712 -6.705 1.00 33.43 N ATOM 890 CE2 TRP A 77 -1.489 6.807 -5.888 1.00 5.23 C ATOM 891 CE3 TRP A 77 -2.657 7.667 -3.961 1.00 13.44 C ATOM 892 CZ2 TRP A 77 -0.632 7.906 -5.914 1.00 61.43 C ATOM 893 CZ3 TRP A 77 -1.806 8.757 -3.986 1.00 24.24 C ATOM 894 CH2 TRP A 77 -0.807 8.869 -4.956 1.00 5.24 C ATOM 0 H TRP A 77 -6.732 3.899 -3.882 1.00 71.13 H new ATOM 0 HA TRP A 77 -5.663 6.309 -5.223 1.00 50.24 H new ATOM 0 HB2 TRP A 77 -4.258 5.183 -3.416 1.00 75.23 H new ATOM 0 HB3 TRP A 77 -4.222 3.768 -4.449 1.00 75.23 H new ATOM 0 HD1 TRP A 77 -2.845 3.959 -6.739 1.00 44.31 H new ATOM 0 HE1 TRP A 77 -0.939 5.531 -7.501 1.00 33.43 H new ATOM 0 HE3 TRP A 77 -3.428 7.589 -3.209 1.00 13.44 H new ATOM 0 HZ2 TRP A 77 0.142 7.995 -6.662 1.00 61.43 H new ATOM 0 HZ3 TRP A 77 -1.916 9.534 -3.244 1.00 24.24 H new ATOM 0 HH2 TRP A 77 -0.159 9.733 -4.950 1.00 5.24 H new ATOM 905 N ASN A 78 -5.686 5.177 -7.430 1.00 32.05 N ATOM 906 CA ASN A 78 -5.945 4.645 -8.754 1.00 2.31 C ATOM 907 C ASN A 78 -4.631 4.323 -9.412 1.00 34.24 C ATOM 908 O ASN A 78 -3.708 5.132 -9.383 1.00 74.33 O ATOM 909 CB ASN A 78 -6.706 5.675 -9.616 1.00 34.34 C ATOM 910 CG ASN A 78 -8.061 6.066 -9.044 1.00 14.41 C ATOM 911 OD1 ASN A 78 -9.109 5.400 -9.478 1.00 34.24 O flip ATOM 912 ND2 ASN A 78 -8.161 6.996 -8.233 1.00 52.13 N flip ATOM 0 H ASN A 78 -5.263 6.105 -7.433 1.00 32.05 H new ATOM 0 HA ASN A 78 -6.557 3.748 -8.663 1.00 2.31 H new ATOM 0 HB2 ASN A 78 -6.094 6.571 -9.722 1.00 34.34 H new ATOM 0 HB3 ASN A 78 -6.848 5.265 -10.616 1.00 34.34 H new ATOM 0 HD21 ASN A 78 -7.326 7.490 -7.918 1.00 52.13 H new ATOM 0 HD22 ASN A 78 -9.078 7.268 -7.879 1.00 52.13 H new ATOM 919 N TYR A 79 -4.538 3.167 -9.991 1.00 33.34 N ATOM 920 CA TYR A 79 -3.325 2.744 -10.659 1.00 62.44 C ATOM 921 C TYR A 79 -3.707 2.024 -11.927 1.00 62.53 C ATOM 922 O TYR A 79 -4.822 1.512 -12.031 1.00 42.21 O ATOM 923 CB TYR A 79 -2.476 1.831 -9.738 1.00 52.32 C ATOM 924 CG TYR A 79 -3.155 0.527 -9.328 1.00 13.55 C ATOM 925 CD1 TYR A 79 -4.041 0.479 -8.256 1.00 62.04 C ATOM 926 CD2 TYR A 79 -2.900 -0.652 -10.016 1.00 72.11 C ATOM 927 CE1 TYR A 79 -4.653 -0.704 -7.890 1.00 70.11 C ATOM 928 CE2 TYR A 79 -3.508 -1.836 -9.655 1.00 31.33 C ATOM 929 CZ TYR A 79 -4.381 -1.857 -8.593 1.00 73.22 C ATOM 930 OH TYR A 79 -4.991 -3.036 -8.237 1.00 51.14 O ATOM 0 H TYR A 79 -5.294 2.483 -10.020 1.00 33.34 H new ATOM 0 HA TYR A 79 -2.714 3.614 -10.900 1.00 62.44 H new ATOM 0 HB2 TYR A 79 -1.542 1.593 -10.247 1.00 52.32 H new ATOM 0 HB3 TYR A 79 -2.216 2.388 -8.838 1.00 52.32 H new ATOM 0 HD1 TYR A 79 -4.253 1.381 -7.701 1.00 62.04 H new ATOM 0 HD2 TYR A 79 -2.213 -0.642 -10.849 1.00 72.11 H new ATOM 0 HE1 TYR A 79 -5.341 -0.725 -7.058 1.00 70.11 H new ATOM 0 HE2 TYR A 79 -3.299 -2.742 -10.204 1.00 31.33 H new ATOM 0 HH TYR A 79 -4.463 -3.480 -7.541 1.00 51.14 H new ATOM 940 N VAL A 80 -2.822 1.964 -12.876 1.00 41.25 N ATOM 941 CA VAL A 80 -3.144 1.320 -14.121 1.00 51.45 C ATOM 942 C VAL A 80 -2.449 -0.013 -14.200 1.00 30.32 C ATOM 943 O VAL A 80 -1.222 -0.097 -14.205 1.00 24.35 O ATOM 944 CB VAL A 80 -2.761 2.193 -15.343 1.00 42.42 C ATOM 945 CG1 VAL A 80 -3.135 1.504 -16.660 1.00 11.55 C ATOM 946 CG2 VAL A 80 -3.435 3.551 -15.247 1.00 75.33 C ATOM 0 H VAL A 80 -1.879 2.348 -12.817 1.00 41.25 H new ATOM 0 HA VAL A 80 -4.224 1.175 -14.150 1.00 51.45 H new ATOM 0 HB VAL A 80 -1.680 2.330 -15.334 1.00 42.42 H new ATOM 0 HG11 VAL A 80 -2.853 2.142 -17.497 1.00 11.55 H new ATOM 0 HG12 VAL A 80 -2.608 0.553 -16.735 1.00 11.55 H new ATOM 0 HG13 VAL A 80 -4.210 1.326 -16.685 1.00 11.55 H new ATOM 0 HG21 VAL A 80 -3.159 4.156 -16.111 1.00 75.33 H new ATOM 0 HG22 VAL A 80 -4.517 3.420 -15.227 1.00 75.33 H new ATOM 0 HG23 VAL A 80 -3.113 4.053 -14.335 1.00 75.33 H new ATOM 956 N HIS A 81 -3.234 -1.043 -14.276 1.00 63.12 N ATOM 957 CA HIS A 81 -2.738 -2.383 -14.343 1.00 3.10 C ATOM 958 C HIS A 81 -3.593 -3.145 -15.330 1.00 30.21 C ATOM 959 O HIS A 81 -4.822 -3.074 -15.270 1.00 72.14 O ATOM 960 CB HIS A 81 -2.741 -3.032 -12.945 1.00 62.10 C ATOM 961 CG HIS A 81 -2.118 -4.395 -12.883 1.00 31.55 C ATOM 962 ND1 HIS A 81 -0.765 -4.608 -12.928 1.00 30.02 N ATOM 963 CD2 HIS A 81 -2.675 -5.611 -12.777 1.00 25.54 C ATOM 964 CE1 HIS A 81 -0.519 -5.897 -12.855 1.00 42.10 C ATOM 965 NE2 HIS A 81 -1.662 -6.526 -12.761 1.00 24.25 N ATOM 0 H HIS A 81 -4.252 -0.976 -14.293 1.00 63.12 H new ATOM 0 HA HIS A 81 -1.703 -2.396 -14.684 1.00 3.10 H new ATOM 0 HB2 HIS A 81 -2.213 -2.375 -12.254 1.00 62.10 H new ATOM 0 HB3 HIS A 81 -3.771 -3.102 -12.595 1.00 62.10 H new ATOM 0 HD1 HIS A 81 -0.057 -3.878 -13.006 1.00 30.02 H new ATOM 0 HD2 HIS A 81 -3.731 -5.827 -12.716 1.00 25.54 H new ATOM 0 HE1 HIS A 81 0.458 -6.357 -12.870 1.00 42.10 H new ATOM 974 N ASP A 82 -2.927 -3.837 -16.240 1.00 13.04 N ATOM 975 CA ASP A 82 -3.539 -4.572 -17.379 1.00 42.21 C ATOM 976 C ASP A 82 -4.205 -3.592 -18.315 1.00 1.24 C ATOM 977 O ASP A 82 -5.093 -3.952 -19.075 1.00 62.11 O ATOM 978 CB ASP A 82 -4.614 -5.591 -16.916 1.00 51.10 C ATOM 979 CG ASP A 82 -4.126 -6.626 -15.951 1.00 24.43 C ATOM 980 OD1 ASP A 82 -3.363 -7.528 -16.361 1.00 23.54 O ATOM 981 OD2 ASP A 82 -4.505 -6.557 -14.763 1.00 71.13 O ATOM 0 H ASP A 82 -1.910 -3.917 -16.222 1.00 13.04 H new ATOM 0 HA ASP A 82 -2.734 -5.114 -17.874 1.00 42.21 H new ATOM 0 HB2 ASP A 82 -5.437 -5.045 -16.455 1.00 51.10 H new ATOM 0 HB3 ASP A 82 -5.018 -6.095 -17.794 1.00 51.10 H new ATOM 986 N GLY A 83 -3.702 -2.372 -18.326 1.00 62.42 N ATOM 987 CA GLY A 83 -4.271 -1.331 -19.158 1.00 35.25 C ATOM 988 C GLY A 83 -5.518 -0.689 -18.547 1.00 54.12 C ATOM 989 O GLY A 83 -5.988 0.344 -19.032 1.00 62.51 O ATOM 0 H GLY A 83 -2.900 -2.078 -17.768 1.00 62.42 H new ATOM 0 HA2 GLY A 83 -3.520 -0.560 -19.330 1.00 35.25 H new ATOM 0 HA3 GLY A 83 -4.525 -1.750 -20.131 1.00 35.25 H new ATOM 993 N GLU A 84 -6.051 -1.283 -17.495 1.00 13.24 N ATOM 994 CA GLU A 84 -7.201 -0.722 -16.818 1.00 3.34 C ATOM 995 C GLU A 84 -6.778 0.097 -15.654 1.00 4.32 C ATOM 996 O GLU A 84 -5.804 -0.229 -14.965 1.00 33.31 O ATOM 997 CB GLU A 84 -8.186 -1.786 -16.299 1.00 43.44 C ATOM 998 CG GLU A 84 -9.091 -2.442 -17.326 1.00 14.33 C ATOM 999 CD GLU A 84 -8.380 -3.260 -18.361 1.00 32.33 C ATOM 1000 OE1 GLU A 84 -8.002 -4.413 -18.070 1.00 51.21 O ATOM 1001 OE2 GLU A 84 -8.227 -2.776 -19.499 1.00 54.40 O ATOM 0 H GLU A 84 -5.704 -2.154 -17.092 1.00 13.24 H new ATOM 0 HA GLU A 84 -7.707 -0.116 -17.570 1.00 3.34 H new ATOM 0 HB2 GLU A 84 -7.611 -2.569 -15.804 1.00 43.44 H new ATOM 0 HB3 GLU A 84 -8.815 -1.324 -15.538 1.00 43.44 H new ATOM 0 HG2 GLU A 84 -9.804 -3.081 -16.805 1.00 14.33 H new ATOM 0 HG3 GLU A 84 -9.667 -1.666 -17.830 1.00 14.33 H new ATOM 1008 N ALA A 85 -7.488 1.148 -15.424 1.00 72.22 N ATOM 1009 CA ALA A 85 -7.271 1.926 -14.260 1.00 52.52 C ATOM 1010 C ALA A 85 -8.080 1.281 -13.172 1.00 52.52 C ATOM 1011 O ALA A 85 -9.315 1.236 -13.240 1.00 63.04 O ATOM 1012 CB ALA A 85 -7.702 3.365 -14.478 1.00 12.15 C ATOM 0 H ALA A 85 -8.230 1.488 -16.035 1.00 72.22 H new ATOM 0 HA ALA A 85 -6.213 1.959 -13.999 1.00 52.52 H new ATOM 0 HB1 ALA A 85 -7.524 3.940 -13.569 1.00 12.15 H new ATOM 0 HB2 ALA A 85 -7.128 3.796 -15.298 1.00 12.15 H new ATOM 0 HB3 ALA A 85 -8.764 3.394 -14.724 1.00 12.15 H new ATOM 1018 N LYS A 86 -7.410 0.780 -12.202 1.00 43.24 N ATOM 1019 CA LYS A 86 -8.026 0.043 -11.157 1.00 52.40 C ATOM 1020 C LYS A 86 -7.924 0.805 -9.864 1.00 31.30 C ATOM 1021 O LYS A 86 -7.041 1.670 -9.707 1.00 23.12 O ATOM 1022 CB LYS A 86 -7.391 -1.350 -11.069 1.00 75.33 C ATOM 1023 CG LYS A 86 -7.644 -2.169 -12.333 1.00 62.53 C ATOM 1024 CD LYS A 86 -6.982 -3.532 -12.310 1.00 51.44 C ATOM 1025 CE LYS A 86 -7.366 -4.310 -13.553 1.00 42.02 C ATOM 1026 NZ LYS A 86 -6.780 -5.675 -13.599 1.00 62.52 N ATOM 0 H LYS A 86 -6.398 0.871 -12.108 1.00 43.24 H new ATOM 0 HA LYS A 86 -9.087 -0.093 -11.366 1.00 52.40 H new ATOM 0 HB2 LYS A 86 -6.317 -1.251 -10.909 1.00 75.33 H new ATOM 0 HB3 LYS A 86 -7.794 -1.880 -10.206 1.00 75.33 H new ATOM 0 HG2 LYS A 86 -8.718 -2.297 -12.465 1.00 62.53 H new ATOM 0 HG3 LYS A 86 -7.281 -1.612 -13.197 1.00 62.53 H new ATOM 0 HD2 LYS A 86 -5.899 -3.420 -12.260 1.00 51.44 H new ATOM 0 HD3 LYS A 86 -7.287 -4.080 -11.418 1.00 51.44 H new ATOM 0 HE2 LYS A 86 -8.452 -4.387 -13.603 1.00 42.02 H new ATOM 0 HE3 LYS A 86 -7.045 -3.755 -14.434 1.00 42.02 H new ATOM 0 HZ1 LYS A 86 -7.453 -6.327 -14.050 1.00 62.52 H new ATOM 0 HZ2 LYS A 86 -5.897 -5.655 -14.148 1.00 62.52 H new ATOM 0 HZ3 LYS A 86 -6.579 -5.999 -12.631 1.00 62.52 H new ATOM 1040 N VAL A 87 -8.797 0.507 -8.950 1.00 40.21 N ATOM 1041 CA VAL A 87 -8.862 1.220 -7.704 1.00 0.10 C ATOM 1042 C VAL A 87 -8.506 0.283 -6.580 1.00 71.53 C ATOM 1043 O VAL A 87 -8.848 -0.904 -6.613 1.00 22.23 O ATOM 1044 CB VAL A 87 -10.301 1.788 -7.450 1.00 31.33 C ATOM 1045 CG1 VAL A 87 -10.364 2.620 -6.168 1.00 73.03 C ATOM 1046 CG2 VAL A 87 -10.786 2.603 -8.634 1.00 24.43 C ATOM 0 H VAL A 87 -9.487 -0.238 -9.044 1.00 40.21 H new ATOM 0 HA VAL A 87 -8.161 2.053 -7.750 1.00 0.10 H new ATOM 0 HB VAL A 87 -10.964 0.932 -7.326 1.00 31.33 H new ATOM 0 HG11 VAL A 87 -11.378 2.996 -6.028 1.00 73.03 H new ATOM 0 HG12 VAL A 87 -10.086 1.998 -5.317 1.00 73.03 H new ATOM 0 HG13 VAL A 87 -9.673 3.460 -6.245 1.00 73.03 H new ATOM 0 HG21 VAL A 87 -11.786 2.984 -8.428 1.00 24.43 H new ATOM 0 HG22 VAL A 87 -10.107 3.439 -8.803 1.00 24.43 H new ATOM 0 HG23 VAL A 87 -10.813 1.973 -9.523 1.00 24.43 H new ATOM 1056 N ALA A 88 -7.797 0.793 -5.626 1.00 3.35 N ATOM 1057 CA ALA A 88 -7.452 0.054 -4.462 1.00 54.22 C ATOM 1058 C ALA A 88 -8.231 0.618 -3.307 1.00 62.32 C ATOM 1059 O ALA A 88 -8.094 1.801 -2.979 1.00 15.13 O ATOM 1060 CB ALA A 88 -5.959 0.169 -4.192 1.00 50.52 C ATOM 0 H ALA A 88 -7.438 1.748 -5.636 1.00 3.35 H new ATOM 0 HA ALA A 88 -7.691 -1.000 -4.600 1.00 54.22 H new ATOM 0 HB1 ALA A 88 -5.706 -0.401 -3.298 1.00 50.52 H new ATOM 0 HB2 ALA A 88 -5.404 -0.225 -5.043 1.00 50.52 H new ATOM 0 HB3 ALA A 88 -5.696 1.216 -4.041 1.00 50.52 H new ATOM 1066 N LYS A 89 -9.100 -0.189 -2.737 1.00 70.34 N ATOM 1067 CA LYS A 89 -9.820 0.213 -1.601 1.00 3.40 C ATOM 1068 C LYS A 89 -9.178 -0.439 -0.401 1.00 70.34 C ATOM 1069 O LYS A 89 -9.143 -1.681 -0.284 1.00 41.41 O ATOM 1070 CB LYS A 89 -11.303 -0.144 -1.759 1.00 41.43 C ATOM 1071 CG LYS A 89 -11.963 0.551 -2.941 1.00 61.20 C ATOM 1072 CD LYS A 89 -13.463 0.348 -2.951 1.00 32.14 C ATOM 1073 CE LYS A 89 -14.099 1.080 -4.114 1.00 31.34 C ATOM 1074 NZ LYS A 89 -15.567 1.003 -4.080 1.00 4.24 N ATOM 0 H LYS A 89 -9.309 -1.132 -3.064 1.00 70.34 H new ATOM 0 HA LYS A 89 -9.787 1.294 -1.468 1.00 3.40 H new ATOM 0 HB2 LYS A 89 -11.400 -1.223 -1.880 1.00 41.43 H new ATOM 0 HB3 LYS A 89 -11.834 0.123 -0.845 1.00 41.43 H new ATOM 0 HG2 LYS A 89 -11.741 1.618 -2.905 1.00 61.20 H new ATOM 0 HG3 LYS A 89 -11.539 0.169 -3.870 1.00 61.20 H new ATOM 0 HD2 LYS A 89 -13.690 -0.716 -3.018 1.00 32.14 H new ATOM 0 HD3 LYS A 89 -13.889 0.706 -2.014 1.00 32.14 H new ATOM 0 HE2 LYS A 89 -13.791 2.125 -4.096 1.00 31.34 H new ATOM 0 HE3 LYS A 89 -13.736 0.657 -5.050 1.00 31.34 H new ATOM 0 HZ1 LYS A 89 -15.940 1.052 -5.050 1.00 4.24 H new ATOM 0 HZ2 LYS A 89 -15.858 0.105 -3.642 1.00 4.24 H new ATOM 0 HZ3 LYS A 89 -15.943 1.797 -3.524 1.00 4.24 H new ATOM 1088 N GLU A 90 -8.719 0.382 0.493 1.00 24.11 N ATOM 1089 CA GLU A 90 -7.884 -0.042 1.580 1.00 73.31 C ATOM 1090 C GLU A 90 -8.256 0.666 2.864 1.00 55.40 C ATOM 1091 O GLU A 90 -8.936 1.687 2.852 1.00 65.34 O ATOM 1092 CB GLU A 90 -6.452 0.319 1.213 1.00 22.32 C ATOM 1093 CG GLU A 90 -6.319 1.798 0.864 1.00 74.02 C ATOM 1094 CD GLU A 90 -4.923 2.208 0.457 1.00 63.01 C ATOM 1095 OE1 GLU A 90 -4.568 2.057 -0.732 1.00 23.32 O ATOM 1096 OE2 GLU A 90 -4.164 2.708 1.318 1.00 4.34 O ATOM 0 H GLU A 90 -8.916 1.383 0.490 1.00 24.11 H new ATOM 0 HA GLU A 90 -8.005 -1.113 1.741 1.00 73.31 H new ATOM 0 HB2 GLU A 90 -5.791 0.080 2.046 1.00 22.32 H new ATOM 0 HB3 GLU A 90 -6.129 -0.286 0.366 1.00 22.32 H new ATOM 0 HG2 GLU A 90 -7.007 2.033 0.052 1.00 74.02 H new ATOM 0 HG3 GLU A 90 -6.626 2.393 1.724 1.00 74.02 H new ATOM 1103 N ARG A 91 -7.823 0.104 3.955 1.00 52.11 N ATOM 1104 CA ARG A 91 -8.004 0.682 5.254 1.00 25.10 C ATOM 1105 C ARG A 91 -6.703 0.549 6.031 1.00 41.12 C ATOM 1106 O ARG A 91 -6.056 -0.503 5.975 1.00 64.22 O ATOM 1107 CB ARG A 91 -9.114 -0.056 6.013 1.00 24.42 C ATOM 1108 CG ARG A 91 -9.372 0.488 7.405 1.00 61.14 C ATOM 1109 CD ARG A 91 -10.360 -0.371 8.168 1.00 60.42 C ATOM 1110 NE ARG A 91 -10.580 0.145 9.517 1.00 15.11 N ATOM 1111 CZ ARG A 91 -10.104 -0.410 10.639 1.00 54.15 C ATOM 1112 NH1 ARG A 91 -9.334 -1.500 10.581 1.00 22.24 N ATOM 1113 NH2 ARG A 91 -10.393 0.140 11.810 1.00 71.53 N ATOM 0 H ARG A 91 -7.325 -0.786 3.966 1.00 52.11 H new ATOM 0 HA ARG A 91 -8.282 1.730 5.147 1.00 25.10 H new ATOM 0 HB2 ARG A 91 -10.036 0.001 5.435 1.00 24.42 H new ATOM 0 HB3 ARG A 91 -8.850 -1.111 6.089 1.00 24.42 H new ATOM 0 HG2 ARG A 91 -8.433 0.539 7.956 1.00 61.14 H new ATOM 0 HG3 ARG A 91 -9.755 1.506 7.333 1.00 61.14 H new ATOM 0 HD2 ARG A 91 -11.307 -0.405 7.630 1.00 60.42 H new ATOM 0 HD3 ARG A 91 -9.989 -1.394 8.224 1.00 60.42 H new ATOM 0 HE ARG A 91 -11.139 0.993 9.612 1.00 15.11 H new ATOM 0 HH11 ARG A 91 -9.105 -1.915 9.678 1.00 22.24 H new ATOM 0 HH12 ARG A 91 -8.975 -1.917 11.440 1.00 22.24 H new ATOM 0 HH21 ARG A 91 -10.973 0.978 11.851 1.00 71.53 H new ATOM 0 HH22 ARG A 91 -10.035 -0.275 12.670 1.00 71.53 H new ATOM 1127 N ILE A 92 -6.305 1.595 6.720 1.00 75.51 N ATOM 1128 CA ILE A 92 -5.141 1.524 7.593 1.00 14.22 C ATOM 1129 C ILE A 92 -5.502 0.713 8.830 1.00 64.21 C ATOM 1130 O ILE A 92 -6.447 1.048 9.538 1.00 13.35 O ATOM 1131 CB ILE A 92 -4.635 2.947 8.015 1.00 45.52 C ATOM 1132 CG1 ILE A 92 -4.078 3.711 6.795 1.00 4.43 C ATOM 1133 CG2 ILE A 92 -3.629 2.894 9.178 1.00 14.13 C ATOM 1134 CD1 ILE A 92 -3.475 5.068 7.124 1.00 2.21 C ATOM 0 H ILE A 92 -6.765 2.505 6.697 1.00 75.51 H new ATOM 0 HA ILE A 92 -4.331 1.043 7.045 1.00 14.22 H new ATOM 0 HB ILE A 92 -5.494 3.502 8.392 1.00 45.52 H new ATOM 0 HG12 ILE A 92 -3.317 3.096 6.313 1.00 4.43 H new ATOM 0 HG13 ILE A 92 -4.881 3.850 6.071 1.00 4.43 H new ATOM 0 HG21 ILE A 92 -3.311 3.906 9.430 1.00 14.13 H new ATOM 0 HG22 ILE A 92 -4.101 2.435 10.047 1.00 14.13 H new ATOM 0 HG23 ILE A 92 -2.762 2.304 8.882 1.00 14.13 H new ATOM 0 HD11 ILE A 92 -3.109 5.535 6.210 1.00 2.21 H new ATOM 0 HD12 ILE A 92 -4.236 5.704 7.576 1.00 2.21 H new ATOM 0 HD13 ILE A 92 -2.648 4.939 7.822 1.00 2.21 H new ATOM 1146 N GLU A 93 -4.760 -0.339 9.078 1.00 20.00 N ATOM 1147 CA GLU A 93 -5.037 -1.200 10.215 1.00 34.54 C ATOM 1148 C GLU A 93 -4.106 -0.823 11.379 1.00 13.50 C ATOM 1149 O GLU A 93 -4.515 -0.792 12.546 1.00 14.24 O ATOM 1150 CB GLU A 93 -4.819 -2.659 9.811 1.00 12.04 C ATOM 1151 CG GLU A 93 -5.356 -3.678 10.799 1.00 12.24 C ATOM 1152 CD GLU A 93 -6.867 -3.622 10.916 1.00 50.13 C ATOM 1153 OE1 GLU A 93 -7.557 -4.208 10.071 1.00 41.21 O ATOM 1154 OE2 GLU A 93 -7.386 -2.987 11.844 1.00 22.21 O ATOM 0 H GLU A 93 -3.960 -0.624 8.513 1.00 20.00 H new ATOM 0 HA GLU A 93 -6.071 -1.072 10.534 1.00 34.54 H new ATOM 0 HB2 GLU A 93 -5.291 -2.828 8.843 1.00 12.04 H new ATOM 0 HB3 GLU A 93 -3.751 -2.829 9.679 1.00 12.04 H new ATOM 0 HG2 GLU A 93 -5.054 -4.678 10.487 1.00 12.24 H new ATOM 0 HG3 GLU A 93 -4.911 -3.502 11.778 1.00 12.24 H new ATOM 1161 N ALA A 94 -2.863 -0.515 11.040 1.00 53.13 N ATOM 1162 CA ALA A 94 -1.842 -0.125 12.004 1.00 61.23 C ATOM 1163 C ALA A 94 -0.791 0.681 11.280 1.00 42.44 C ATOM 1164 O ALA A 94 -0.500 0.398 10.109 1.00 25.13 O ATOM 1165 CB ALA A 94 -1.197 -1.361 12.635 1.00 72.43 C ATOM 0 H ALA A 94 -2.530 -0.529 10.076 1.00 53.13 H new ATOM 0 HA ALA A 94 -2.297 0.466 12.799 1.00 61.23 H new ATOM 0 HB1 ALA A 94 -0.437 -1.049 13.352 1.00 72.43 H new ATOM 0 HB2 ALA A 94 -1.960 -1.948 13.147 1.00 72.43 H new ATOM 0 HB3 ALA A 94 -0.734 -1.967 11.856 1.00 72.43 H new ATOM 1171 N VAL A 95 -0.243 1.682 11.929 1.00 51.43 N ATOM 1172 CA VAL A 95 0.772 2.504 11.304 1.00 32.25 C ATOM 1173 C VAL A 95 1.809 2.990 12.324 1.00 64.42 C ATOM 1174 O VAL A 95 1.471 3.396 13.443 1.00 73.50 O ATOM 1175 CB VAL A 95 0.148 3.714 10.522 1.00 52.20 C ATOM 1176 CG1 VAL A 95 -0.664 4.626 11.436 1.00 43.11 C ATOM 1177 CG2 VAL A 95 1.217 4.504 9.775 1.00 32.22 C ATOM 0 H VAL A 95 -0.480 1.948 12.885 1.00 51.43 H new ATOM 0 HA VAL A 95 1.284 1.873 10.578 1.00 32.25 H new ATOM 0 HB VAL A 95 -0.538 3.295 9.786 1.00 52.20 H new ATOM 0 HG11 VAL A 95 -1.077 5.450 10.854 1.00 43.11 H new ATOM 0 HG12 VAL A 95 -1.477 4.058 11.888 1.00 43.11 H new ATOM 0 HG13 VAL A 95 -0.019 5.023 12.220 1.00 43.11 H new ATOM 0 HG21 VAL A 95 0.751 5.334 9.244 1.00 32.22 H new ATOM 0 HG22 VAL A 95 1.947 4.891 10.486 1.00 32.22 H new ATOM 0 HG23 VAL A 95 1.718 3.852 9.060 1.00 32.22 H new ATOM 1187 N GLU A 96 3.061 2.898 11.954 1.00 63.45 N ATOM 1188 CA GLU A 96 4.122 3.396 12.774 1.00 71.43 C ATOM 1189 C GLU A 96 5.030 4.250 11.908 1.00 20.42 C ATOM 1190 O GLU A 96 5.785 3.718 11.090 1.00 70.32 O ATOM 1191 CB GLU A 96 4.921 2.238 13.373 1.00 71.34 C ATOM 1192 CG GLU A 96 5.954 2.647 14.383 1.00 63.32 C ATOM 1193 CD GLU A 96 5.348 3.412 15.521 1.00 45.42 C ATOM 1194 OE1 GLU A 96 4.854 2.786 16.479 1.00 42.34 O ATOM 1195 OE2 GLU A 96 5.329 4.650 15.457 1.00 61.44 O ATOM 0 H GLU A 96 3.367 2.476 11.077 1.00 63.45 H new ATOM 0 HA GLU A 96 3.710 3.986 13.592 1.00 71.43 H new ATOM 0 HB2 GLU A 96 4.228 1.541 13.844 1.00 71.34 H new ATOM 0 HB3 GLU A 96 5.416 1.699 12.565 1.00 71.34 H new ATOM 0 HG2 GLU A 96 6.457 1.760 14.768 1.00 63.32 H new ATOM 0 HG3 GLU A 96 6.714 3.259 13.898 1.00 63.32 H new ATOM 1202 N PRO A 97 4.977 5.572 12.055 1.00 24.11 N ATOM 1203 CA PRO A 97 5.821 6.470 11.286 1.00 54.14 C ATOM 1204 C PRO A 97 7.287 6.341 11.672 1.00 30.04 C ATOM 1205 O PRO A 97 8.169 6.542 10.853 1.00 15.40 O ATOM 1206 CB PRO A 97 5.293 7.869 11.620 1.00 64.41 C ATOM 1207 CG PRO A 97 4.558 7.721 12.906 1.00 70.44 C ATOM 1208 CD PRO A 97 4.062 6.302 12.961 1.00 13.24 C ATOM 0 HA PRO A 97 5.781 6.246 10.220 1.00 54.14 H new ATOM 0 HB2 PRO A 97 6.110 8.584 11.715 1.00 64.41 H new ATOM 0 HB3 PRO A 97 4.636 8.239 10.833 1.00 64.41 H new ATOM 0 HG2 PRO A 97 5.211 7.935 13.752 1.00 70.44 H new ATOM 0 HG3 PRO A 97 3.726 8.424 12.959 1.00 70.44 H new ATOM 0 HD2 PRO A 97 4.101 5.904 13.975 1.00 13.24 H new ATOM 0 HD3 PRO A 97 3.027 6.227 12.629 1.00 13.24 H new ATOM 1216 N ASP A 98 7.538 5.967 12.917 1.00 71.13 N ATOM 1217 CA ASP A 98 8.910 5.897 13.432 1.00 35.12 C ATOM 1218 C ASP A 98 9.639 4.684 12.901 1.00 61.03 C ATOM 1219 O ASP A 98 10.829 4.732 12.616 1.00 44.42 O ATOM 1220 CB ASP A 98 8.924 5.911 14.961 1.00 62.21 C ATOM 1221 CG ASP A 98 10.320 5.761 15.547 1.00 30.32 C ATOM 1222 OD1 ASP A 98 11.103 6.738 15.527 1.00 31.33 O ATOM 1223 OD2 ASP A 98 10.639 4.676 16.072 1.00 50.52 O ATOM 0 H ASP A 98 6.819 5.707 13.592 1.00 71.13 H new ATOM 0 HA ASP A 98 9.437 6.783 13.078 1.00 35.12 H new ATOM 0 HB2 ASP A 98 8.487 6.845 15.314 1.00 62.21 H new ATOM 0 HB3 ASP A 98 8.292 5.104 15.331 1.00 62.21 H new ATOM 1228 N LYS A 99 8.911 3.617 12.730 1.00 22.22 N ATOM 1229 CA LYS A 99 9.486 2.381 12.252 1.00 23.54 C ATOM 1230 C LYS A 99 9.234 2.208 10.768 1.00 45.14 C ATOM 1231 O LYS A 99 9.618 1.191 10.196 1.00 23.04 O ATOM 1232 CB LYS A 99 8.913 1.196 13.021 1.00 73.23 C ATOM 1233 CG LYS A 99 9.199 1.209 14.508 1.00 30.13 C ATOM 1234 CD LYS A 99 10.680 1.058 14.773 1.00 45.54 C ATOM 1235 CE LYS A 99 10.978 1.013 16.264 1.00 74.53 C ATOM 1236 NZ LYS A 99 12.422 0.848 16.534 1.00 55.23 N ATOM 0 H LYS A 99 7.909 3.574 12.915 1.00 22.22 H new ATOM 0 HA LYS A 99 10.563 2.422 12.417 1.00 23.54 H new ATOM 0 HB2 LYS A 99 7.833 1.172 12.873 1.00 73.23 H new ATOM 0 HB3 LYS A 99 9.314 0.276 12.596 1.00 73.23 H new ATOM 0 HG2 LYS A 99 8.841 2.142 14.943 1.00 30.13 H new ATOM 0 HG3 LYS A 99 8.654 0.400 14.995 1.00 30.13 H new ATOM 0 HD2 LYS A 99 11.044 0.146 14.300 1.00 45.54 H new ATOM 0 HD3 LYS A 99 11.219 1.889 14.318 1.00 45.54 H new ATOM 0 HE2 LYS A 99 10.624 1.931 16.733 1.00 74.53 H new ATOM 0 HE3 LYS A 99 10.427 0.190 16.719 1.00 74.53 H new ATOM 0 HZ1 LYS A 99 12.582 0.822 17.561 1.00 55.23 H new ATOM 0 HZ2 LYS A 99 12.755 -0.041 16.109 1.00 55.23 H new ATOM 0 HZ3 LYS A 99 12.946 1.646 16.122 1.00 55.23 H new ATOM 1250 N ASN A 100 8.583 3.209 10.150 1.00 2.51 N ATOM 1251 CA ASN A 100 8.264 3.199 8.699 1.00 60.20 C ATOM 1252 C ASN A 100 7.399 1.985 8.374 1.00 41.02 C ATOM 1253 O ASN A 100 7.600 1.311 7.358 1.00 23.12 O ATOM 1254 CB ASN A 100 9.555 3.139 7.864 1.00 41.14 C ATOM 1255 CG ASN A 100 10.527 4.252 8.164 1.00 0.10 C ATOM 1256 OD1 ASN A 100 10.149 5.360 8.537 1.00 13.03 O ATOM 1257 ND2 ASN A 100 11.791 3.959 8.027 1.00 42.34 N ATOM 0 H ASN A 100 8.261 4.047 10.634 1.00 2.51 H new ATOM 0 HA ASN A 100 7.726 4.115 8.455 1.00 60.20 H new ATOM 0 HB2 ASN A 100 10.047 2.182 8.041 1.00 41.14 H new ATOM 0 HB3 ASN A 100 9.294 3.172 6.806 1.00 41.14 H new ATOM 0 HD21 ASN A 100 12.502 4.661 8.232 1.00 42.34 H new ATOM 0 HD22 ASN A 100 12.068 3.028 7.715 1.00 42.34 H new ATOM 1264 N LEU A 101 6.400 1.770 9.196 1.00 32.44 N ATOM 1265 CA LEU A 101 5.561 0.595 9.120 1.00 30.44 C ATOM 1266 C LEU A 101 4.131 0.994 8.841 1.00 71.10 C ATOM 1267 O LEU A 101 3.617 1.938 9.438 1.00 52.32 O ATOM 1268 CB LEU A 101 5.590 -0.122 10.471 1.00 21.14 C ATOM 1269 CG LEU A 101 4.711 -1.362 10.601 1.00 44.11 C ATOM 1270 CD1 LEU A 101 5.222 -2.488 9.744 1.00 74.14 C ATOM 1271 CD2 LEU A 101 4.564 -1.780 12.052 1.00 72.45 C ATOM 0 H LEU A 101 6.143 2.412 9.945 1.00 32.44 H new ATOM 0 HA LEU A 101 5.930 -0.050 8.323 1.00 30.44 H new ATOM 0 HB2 LEU A 101 6.620 -0.410 10.683 1.00 21.14 H new ATOM 0 HB3 LEU A 101 5.293 0.589 11.242 1.00 21.14 H new ATOM 0 HG LEU A 101 3.717 -1.106 10.235 1.00 44.11 H new ATOM 0 HD11 LEU A 101 4.573 -3.356 9.860 1.00 74.14 H new ATOM 0 HD12 LEU A 101 5.228 -2.176 8.700 1.00 74.14 H new ATOM 0 HD13 LEU A 101 6.235 -2.748 10.051 1.00 74.14 H new ATOM 0 HD21 LEU A 101 3.932 -2.666 12.113 1.00 72.45 H new ATOM 0 HD22 LEU A 101 5.546 -2.005 12.467 1.00 72.45 H new ATOM 0 HD23 LEU A 101 4.107 -0.969 12.620 1.00 72.45 H new ATOM 1283 N ILE A 102 3.499 0.282 7.949 1.00 15.12 N ATOM 1284 CA ILE A 102 2.117 0.516 7.633 1.00 11.20 C ATOM 1285 C ILE A 102 1.414 -0.796 7.255 1.00 32.02 C ATOM 1286 O ILE A 102 1.853 -1.537 6.364 1.00 3.20 O ATOM 1287 CB ILE A 102 1.949 1.595 6.521 1.00 45.32 C ATOM 1288 CG1 ILE A 102 0.480 1.772 6.095 1.00 43.52 C ATOM 1289 CG2 ILE A 102 2.835 1.302 5.335 1.00 5.45 C ATOM 1290 CD1 ILE A 102 -0.432 2.271 7.191 1.00 11.54 C ATOM 0 H ILE A 102 3.928 -0.477 7.420 1.00 15.12 H new ATOM 0 HA ILE A 102 1.637 0.910 8.529 1.00 11.20 H new ATOM 0 HB ILE A 102 2.268 2.545 6.951 1.00 45.32 H new ATOM 0 HG12 ILE A 102 0.439 2.470 5.259 1.00 43.52 H new ATOM 0 HG13 ILE A 102 0.102 0.816 5.732 1.00 43.52 H new ATOM 0 HG21 ILE A 102 2.695 2.072 4.577 1.00 5.45 H new ATOM 0 HG22 ILE A 102 3.877 1.292 5.653 1.00 5.45 H new ATOM 0 HG23 ILE A 102 2.574 0.330 4.917 1.00 5.45 H new ATOM 0 HD11 ILE A 102 -1.447 2.367 6.805 1.00 11.54 H new ATOM 0 HD12 ILE A 102 -0.425 1.564 8.020 1.00 11.54 H new ATOM 0 HD13 ILE A 102 -0.083 3.243 7.540 1.00 11.54 H new ATOM 1302 N THR A 103 0.376 -1.091 7.976 1.00 53.21 N ATOM 1303 CA THR A 103 -0.431 -2.262 7.749 1.00 63.32 C ATOM 1304 C THR A 103 -1.711 -1.882 6.963 1.00 22.42 C ATOM 1305 O THR A 103 -2.523 -1.066 7.441 1.00 22.52 O ATOM 1306 CB THR A 103 -0.829 -2.868 9.107 1.00 22.32 C ATOM 1307 OG1 THR A 103 0.352 -3.053 9.898 1.00 65.52 O ATOM 1308 CG2 THR A 103 -1.506 -4.211 8.921 1.00 52.53 C ATOM 0 H THR A 103 0.056 -0.516 8.755 1.00 53.21 H new ATOM 0 HA THR A 103 0.140 -2.986 7.169 1.00 63.32 H new ATOM 0 HB THR A 103 -1.523 -2.189 9.602 1.00 22.32 H new ATOM 0 HG1 THR A 103 0.136 -3.593 10.687 1.00 65.52 H new ATOM 0 HG21 THR A 103 -1.778 -4.619 9.894 1.00 52.53 H new ATOM 0 HG22 THR A 103 -2.404 -4.085 8.317 1.00 52.53 H new ATOM 0 HG23 THR A 103 -0.823 -4.896 8.418 1.00 52.53 H new ATOM 1316 N PHE A 104 -1.879 -2.469 5.785 1.00 73.12 N ATOM 1317 CA PHE A 104 -3.028 -2.217 4.928 1.00 65.21 C ATOM 1318 C PHE A 104 -3.998 -3.387 5.031 1.00 34.25 C ATOM 1319 O PHE A 104 -3.583 -4.547 5.097 1.00 3.53 O ATOM 1320 CB PHE A 104 -2.598 -2.070 3.454 1.00 22.41 C ATOM 1321 CG PHE A 104 -1.632 -0.966 3.168 1.00 24.42 C ATOM 1322 CD1 PHE A 104 -2.061 0.345 3.071 1.00 12.23 C ATOM 1323 CD2 PHE A 104 -0.294 -1.245 2.976 1.00 4.34 C ATOM 1324 CE1 PHE A 104 -1.165 1.357 2.792 1.00 22.44 C ATOM 1325 CE2 PHE A 104 0.600 -0.244 2.694 1.00 43.45 C ATOM 1326 CZ PHE A 104 0.170 1.059 2.601 1.00 22.12 C ATOM 0 H PHE A 104 -1.216 -3.139 5.395 1.00 73.12 H new ATOM 0 HA PHE A 104 -3.500 -1.291 5.256 1.00 65.21 H new ATOM 0 HB2 PHE A 104 -2.153 -3.011 3.129 1.00 22.41 H new ATOM 0 HB3 PHE A 104 -3.490 -1.913 2.848 1.00 22.41 H new ATOM 0 HD1 PHE A 104 -3.106 0.579 3.215 1.00 12.23 H new ATOM 0 HD2 PHE A 104 0.053 -2.265 3.049 1.00 4.34 H new ATOM 0 HE1 PHE A 104 -1.507 2.379 2.723 1.00 22.44 H new ATOM 0 HE2 PHE A 104 1.643 -0.479 2.545 1.00 43.45 H new ATOM 0 HZ PHE A 104 0.874 1.847 2.379 1.00 22.12 H new ATOM 1336 N ARG A 105 -5.258 -3.079 5.050 1.00 74.55 N ATOM 1337 CA ARG A 105 -6.321 -4.059 5.144 1.00 74.55 C ATOM 1338 C ARG A 105 -7.269 -3.802 3.978 1.00 40.12 C ATOM 1339 O ARG A 105 -7.806 -2.700 3.855 1.00 72.41 O ATOM 1340 CB ARG A 105 -6.999 -3.847 6.527 1.00 13.12 C ATOM 1341 CG ARG A 105 -8.112 -4.809 6.987 1.00 65.30 C ATOM 1342 CD ARG A 105 -9.436 -4.654 6.248 1.00 61.11 C ATOM 1343 NE ARG A 105 -10.516 -5.346 6.977 1.00 31.13 N ATOM 1344 CZ ARG A 105 -11.715 -5.696 6.496 1.00 75.23 C ATOM 1345 NH1 ARG A 105 -11.980 -5.603 5.207 1.00 33.24 N ATOM 1346 NH2 ARG A 105 -12.632 -6.185 7.322 1.00 22.12 N ATOM 0 H ARG A 105 -5.595 -2.118 5.000 1.00 74.55 H new ATOM 0 HA ARG A 105 -5.980 -5.092 5.081 1.00 74.55 H new ATOM 0 HB2 ARG A 105 -6.213 -3.873 7.282 1.00 13.12 H new ATOM 0 HB3 ARG A 105 -7.415 -2.840 6.535 1.00 13.12 H new ATOM 0 HG2 ARG A 105 -7.761 -5.834 6.864 1.00 65.30 H new ATOM 0 HG3 ARG A 105 -8.287 -4.658 8.052 1.00 65.30 H new ATOM 0 HD2 ARG A 105 -9.679 -3.597 6.142 1.00 61.11 H new ATOM 0 HD3 ARG A 105 -9.348 -5.063 5.241 1.00 61.11 H new ATOM 0 HE ARG A 105 -10.329 -5.583 7.951 1.00 31.13 H new ATOM 0 HH11 ARG A 105 -11.267 -5.261 4.563 1.00 33.24 H new ATOM 0 HH12 ARG A 105 -12.898 -5.873 4.854 1.00 33.24 H new ATOM 0 HH21 ARG A 105 -12.420 -6.291 8.314 1.00 22.12 H new ATOM 0 HH22 ARG A 105 -13.549 -6.454 6.965 1.00 22.12 H new ATOM 1360 N VAL A 106 -7.449 -4.790 3.104 1.00 60.43 N ATOM 1361 CA VAL A 106 -8.298 -4.600 1.929 1.00 4.45 C ATOM 1362 C VAL A 106 -9.762 -4.564 2.360 1.00 3.03 C ATOM 1363 O VAL A 106 -10.174 -5.308 3.251 1.00 54.14 O ATOM 1364 CB VAL A 106 -8.086 -5.708 0.835 1.00 45.25 C ATOM 1365 CG1 VAL A 106 -8.599 -7.047 1.293 1.00 65.34 C ATOM 1366 CG2 VAL A 106 -8.713 -5.301 -0.496 1.00 43.40 C ATOM 0 H VAL A 106 -7.027 -5.715 3.184 1.00 60.43 H new ATOM 0 HA VAL A 106 -8.013 -3.652 1.473 1.00 4.45 H new ATOM 0 HB VAL A 106 -7.012 -5.808 0.679 1.00 45.25 H new ATOM 0 HG11 VAL A 106 -8.435 -7.787 0.510 1.00 65.34 H new ATOM 0 HG12 VAL A 106 -8.069 -7.350 2.196 1.00 65.34 H new ATOM 0 HG13 VAL A 106 -9.666 -6.975 1.506 1.00 65.34 H new ATOM 0 HG21 VAL A 106 -8.549 -6.089 -1.231 1.00 43.40 H new ATOM 0 HG22 VAL A 106 -9.784 -5.147 -0.362 1.00 43.40 H new ATOM 0 HG23 VAL A 106 -8.255 -4.376 -0.846 1.00 43.40 H new ATOM 1376 N ILE A 107 -10.525 -3.685 1.780 1.00 55.45 N ATOM 1377 CA ILE A 107 -11.929 -3.573 2.136 1.00 73.31 C ATOM 1378 C ILE A 107 -12.854 -4.070 1.022 1.00 62.51 C ATOM 1379 O ILE A 107 -13.834 -4.771 1.284 1.00 32.51 O ATOM 1380 CB ILE A 107 -12.300 -2.136 2.547 1.00 3.21 C ATOM 1381 CG1 ILE A 107 -11.933 -1.182 1.436 1.00 33.11 C ATOM 1382 CG2 ILE A 107 -11.590 -1.754 3.844 1.00 51.43 C ATOM 1383 CD1 ILE A 107 -12.243 0.239 1.710 1.00 61.42 C ATOM 0 H ILE A 107 -10.211 -3.033 1.061 1.00 55.45 H new ATOM 0 HA ILE A 107 -12.077 -4.222 2.999 1.00 73.31 H new ATOM 0 HB ILE A 107 -13.374 -2.078 2.721 1.00 3.21 H new ATOM 0 HG12 ILE A 107 -10.866 -1.274 1.235 1.00 33.11 H new ATOM 0 HG13 ILE A 107 -12.456 -1.485 0.529 1.00 33.11 H new ATOM 0 HG21 ILE A 107 -11.862 -0.736 4.122 1.00 51.43 H new ATOM 0 HG22 ILE A 107 -11.889 -2.439 4.638 1.00 51.43 H new ATOM 0 HG23 ILE A 107 -10.511 -1.815 3.700 1.00 51.43 H new ATOM 0 HD11 ILE A 107 -11.945 0.848 0.856 1.00 61.42 H new ATOM 0 HD12 ILE A 107 -13.314 0.352 1.879 1.00 61.42 H new ATOM 0 HD13 ILE A 107 -11.699 0.566 2.596 1.00 61.42 H new ATOM 1395 N GLU A 108 -12.537 -3.728 -0.215 1.00 2.35 N ATOM 1396 CA GLU A 108 -13.363 -4.109 -1.337 1.00 2.03 C ATOM 1397 C GLU A 108 -12.520 -4.229 -2.596 1.00 12.43 C ATOM 1398 O GLU A 108 -11.515 -3.522 -2.743 1.00 41.23 O ATOM 1399 CB GLU A 108 -14.482 -3.070 -1.519 1.00 44.44 C ATOM 1400 CG GLU A 108 -15.447 -3.354 -2.660 1.00 15.33 C ATOM 1401 CD GLU A 108 -16.578 -2.367 -2.706 1.00 41.51 C ATOM 1402 OE1 GLU A 108 -17.551 -2.550 -1.959 1.00 34.03 O ATOM 1403 OE2 GLU A 108 -16.518 -1.389 -3.477 1.00 63.13 O ATOM 0 H GLU A 108 -11.710 -3.185 -0.463 1.00 2.35 H new ATOM 0 HA GLU A 108 -13.814 -5.082 -1.145 1.00 2.03 H new ATOM 0 HB2 GLU A 108 -15.050 -3.005 -0.591 1.00 44.44 H new ATOM 0 HB3 GLU A 108 -14.027 -2.093 -1.684 1.00 44.44 H new ATOM 0 HG2 GLU A 108 -14.906 -3.328 -3.606 1.00 15.33 H new ATOM 0 HG3 GLU A 108 -15.850 -4.361 -2.551 1.00 15.33 H new ATOM 1410 N GLY A 109 -12.907 -5.137 -3.471 1.00 41.24 N ATOM 1411 CA GLY A 109 -12.221 -5.323 -4.718 1.00 23.01 C ATOM 1412 C GLY A 109 -12.108 -6.786 -5.072 1.00 42.40 C ATOM 1413 O GLY A 109 -12.780 -7.627 -4.459 1.00 64.12 O ATOM 0 H GLY A 109 -13.703 -5.760 -3.331 1.00 41.24 H new ATOM 0 HA2 GLY A 109 -12.753 -4.796 -5.510 1.00 23.01 H new ATOM 0 HA3 GLY A 109 -11.225 -4.884 -4.656 1.00 23.01 H new ATOM 1417 N ASP A 110 -11.244 -7.091 -6.033 1.00 75.54 N ATOM 1418 CA ASP A 110 -11.023 -8.466 -6.528 1.00 32.12 C ATOM 1419 C ASP A 110 -10.529 -9.381 -5.434 1.00 63.32 C ATOM 1420 O ASP A 110 -10.921 -10.546 -5.363 1.00 13.52 O ATOM 1421 CB ASP A 110 -9.969 -8.511 -7.657 1.00 24.51 C ATOM 1422 CG ASP A 110 -10.345 -7.780 -8.917 1.00 65.31 C ATOM 1423 OD1 ASP A 110 -11.091 -8.343 -9.742 1.00 2.13 O ATOM 1424 OD2 ASP A 110 -9.874 -6.636 -9.117 1.00 4.32 O ATOM 0 H ASP A 110 -10.667 -6.393 -6.502 1.00 75.54 H new ATOM 0 HA ASP A 110 -11.992 -8.799 -6.899 1.00 32.12 H new ATOM 0 HB2 ASP A 110 -9.037 -8.092 -7.278 1.00 24.51 H new ATOM 0 HB3 ASP A 110 -9.772 -9.554 -7.906 1.00 24.51 H new ATOM 1429 N LEU A 111 -9.673 -8.854 -4.583 1.00 30.22 N ATOM 1430 CA LEU A 111 -9.018 -9.643 -3.551 1.00 23.04 C ATOM 1431 C LEU A 111 -10.011 -10.224 -2.554 1.00 53.22 C ATOM 1432 O LEU A 111 -9.876 -11.358 -2.130 1.00 2.32 O ATOM 1433 CB LEU A 111 -7.948 -8.813 -2.844 1.00 35.44 C ATOM 1434 CG LEU A 111 -6.860 -8.228 -3.759 1.00 43.32 C ATOM 1435 CD1 LEU A 111 -5.851 -7.428 -2.964 1.00 21.53 C ATOM 1436 CD2 LEU A 111 -6.172 -9.324 -4.557 1.00 63.52 C ATOM 0 H LEU A 111 -9.410 -7.869 -4.584 1.00 30.22 H new ATOM 0 HA LEU A 111 -8.535 -10.488 -4.041 1.00 23.04 H new ATOM 0 HB2 LEU A 111 -8.436 -7.993 -2.318 1.00 35.44 H new ATOM 0 HB3 LEU A 111 -7.468 -9.436 -2.089 1.00 35.44 H new ATOM 0 HG LEU A 111 -7.346 -7.552 -4.462 1.00 43.32 H new ATOM 0 HD11 LEU A 111 -5.093 -7.026 -3.637 1.00 21.53 H new ATOM 0 HD12 LEU A 111 -6.357 -6.607 -2.456 1.00 21.53 H new ATOM 0 HD13 LEU A 111 -5.375 -8.074 -2.226 1.00 21.53 H new ATOM 0 HD21 LEU A 111 -5.407 -8.883 -5.196 1.00 63.52 H new ATOM 0 HD22 LEU A 111 -5.708 -10.035 -3.874 1.00 63.52 H new ATOM 0 HD23 LEU A 111 -6.907 -9.841 -5.174 1.00 63.52 H new ATOM 1448 N MET A 112 -11.046 -9.472 -2.252 1.00 51.23 N ATOM 1449 CA MET A 112 -12.056 -9.902 -1.274 1.00 43.31 C ATOM 1450 C MET A 112 -12.961 -10.996 -1.848 1.00 70.54 C ATOM 1451 O MET A 112 -13.788 -11.559 -1.144 1.00 53.34 O ATOM 1452 CB MET A 112 -12.918 -8.718 -0.834 1.00 51.20 C ATOM 1453 CG MET A 112 -12.225 -7.617 -0.006 1.00 31.23 C ATOM 1454 SD MET A 112 -12.141 -7.911 1.806 1.00 33.23 S ATOM 1455 CE MET A 112 -11.130 -9.376 1.978 1.00 32.20 C ATOM 0 H MET A 112 -11.222 -8.555 -2.663 1.00 51.23 H new ATOM 0 HA MET A 112 -11.521 -10.305 -0.414 1.00 43.31 H new ATOM 0 HB2 MET A 112 -13.340 -8.256 -1.727 1.00 51.20 H new ATOM 0 HB3 MET A 112 -13.753 -9.105 -0.251 1.00 51.20 H new ATOM 0 HG2 MET A 112 -11.210 -7.491 -0.382 1.00 31.23 H new ATOM 0 HG3 MET A 112 -12.748 -6.676 -0.178 1.00 31.23 H new ATOM 0 HE1 MET A 112 -10.552 -9.313 2.900 1.00 32.20 H new ATOM 0 HE2 MET A 112 -11.770 -10.258 2.010 1.00 32.20 H new ATOM 0 HE3 MET A 112 -10.451 -9.451 1.129 1.00 32.20 H new ATOM 1465 N LYS A 113 -12.807 -11.290 -3.133 1.00 31.21 N ATOM 1466 CA LYS A 113 -13.654 -12.275 -3.785 1.00 15.33 C ATOM 1467 C LYS A 113 -13.116 -13.694 -3.617 1.00 52.43 C ATOM 1468 O LYS A 113 -13.794 -14.668 -3.955 1.00 22.33 O ATOM 1469 CB LYS A 113 -13.868 -11.930 -5.262 1.00 70.31 C ATOM 1470 CG LYS A 113 -14.466 -10.534 -5.493 1.00 11.14 C ATOM 1471 CD LYS A 113 -15.773 -10.321 -4.723 1.00 33.22 C ATOM 1472 CE LYS A 113 -16.835 -11.342 -5.098 1.00 74.11 C ATOM 1473 NZ LYS A 113 -18.073 -11.147 -4.327 1.00 42.33 N ATOM 0 H LYS A 113 -12.107 -10.862 -3.739 1.00 31.21 H new ATOM 0 HA LYS A 113 -14.625 -12.243 -3.290 1.00 15.33 H new ATOM 0 HB2 LYS A 113 -12.913 -11.996 -5.783 1.00 70.31 H new ATOM 0 HB3 LYS A 113 -14.527 -12.675 -5.708 1.00 70.31 H new ATOM 0 HG2 LYS A 113 -13.742 -9.778 -5.190 1.00 11.14 H new ATOM 0 HG3 LYS A 113 -14.648 -10.392 -6.558 1.00 11.14 H new ATOM 0 HD2 LYS A 113 -15.576 -10.381 -3.653 1.00 33.22 H new ATOM 0 HD3 LYS A 113 -16.150 -9.318 -4.922 1.00 33.22 H new ATOM 0 HE2 LYS A 113 -17.054 -11.265 -6.163 1.00 74.11 H new ATOM 0 HE3 LYS A 113 -16.452 -12.347 -4.923 1.00 74.11 H new ATOM 0 HZ1 LYS A 113 -18.774 -11.861 -4.610 1.00 42.33 H new ATOM 0 HZ2 LYS A 113 -17.869 -11.245 -3.312 1.00 42.33 H new ATOM 0 HZ3 LYS A 113 -18.452 -10.197 -4.514 1.00 42.33 H new ATOM 1487 N GLU A 114 -11.914 -13.799 -3.102 1.00 11.51 N ATOM 1488 CA GLU A 114 -11.321 -15.103 -2.791 1.00 55.14 C ATOM 1489 C GLU A 114 -10.709 -15.073 -1.425 1.00 32.32 C ATOM 1490 O GLU A 114 -10.652 -16.064 -0.717 1.00 34.22 O ATOM 1491 CB GLU A 114 -10.247 -15.523 -3.773 1.00 50.32 C ATOM 1492 CG GLU A 114 -9.555 -16.847 -3.364 1.00 2.13 C ATOM 1493 CD GLU A 114 -10.475 -18.077 -3.306 1.00 34.43 C ATOM 1494 OE1 GLU A 114 -11.440 -18.084 -2.527 1.00 53.12 O ATOM 1495 OE2 GLU A 114 -10.208 -19.065 -4.027 1.00 22.34 O ATOM 0 H GLU A 114 -11.316 -13.002 -2.884 1.00 11.51 H new ATOM 0 HA GLU A 114 -12.135 -15.825 -2.850 1.00 55.14 H new ATOM 0 HB2 GLU A 114 -10.689 -15.638 -4.763 1.00 50.32 H new ATOM 0 HB3 GLU A 114 -9.499 -14.734 -3.848 1.00 50.32 H new ATOM 0 HG2 GLU A 114 -8.749 -17.049 -4.069 1.00 2.13 H new ATOM 0 HG3 GLU A 114 -9.096 -16.711 -2.385 1.00 2.13 H new ATOM 1502 N TYR A 115 -10.226 -13.965 -1.045 1.00 4.01 N ATOM 1503 CA TYR A 115 -9.665 -13.896 0.219 1.00 51.21 C ATOM 1504 C TYR A 115 -10.661 -13.188 1.061 1.00 2.15 C ATOM 1505 O TYR A 115 -11.038 -12.083 0.752 1.00 34.00 O ATOM 1506 CB TYR A 115 -8.323 -13.151 0.194 1.00 0.44 C ATOM 1507 CG TYR A 115 -7.387 -13.590 -0.933 1.00 2.43 C ATOM 1508 CD1 TYR A 115 -6.744 -14.825 -0.925 1.00 0.22 C ATOM 1509 CD2 TYR A 115 -7.153 -12.750 -2.010 1.00 33.41 C ATOM 1510 CE1 TYR A 115 -5.911 -15.194 -1.946 1.00 15.24 C ATOM 1511 CE2 TYR A 115 -6.318 -13.117 -3.035 1.00 24.14 C ATOM 1512 CZ TYR A 115 -5.698 -14.338 -2.998 1.00 45.14 C ATOM 1513 OH TYR A 115 -4.863 -14.703 -4.018 1.00 71.13 O ATOM 0 H TYR A 115 -10.210 -13.103 -1.590 1.00 4.01 H new ATOM 0 HA TYR A 115 -9.445 -14.888 0.612 1.00 51.21 H new ATOM 0 HB2 TYR A 115 -8.515 -12.082 0.097 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -7.819 -13.300 1.149 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -6.905 -15.503 -0.100 1.00 0.22 H new ATOM 0 HD2 TYR A 115 -7.638 -11.786 -2.043 1.00 33.41 H new ATOM 0 HE1 TYR A 115 -5.422 -16.157 -1.924 1.00 15.24 H new ATOM 0 HE2 TYR A 115 -6.151 -12.447 -3.866 1.00 24.14 H new ATOM 0 HH TYR A 115 -4.824 -13.984 -4.682 1.00 71.13 H new ATOM 1523 N LYS A 116 -11.113 -13.838 2.090 1.00 33.43 N ATOM 1524 CA LYS A 116 -12.103 -13.262 2.990 1.00 4.55 C ATOM 1525 C LYS A 116 -11.446 -12.258 3.920 1.00 40.22 C ATOM 1526 O LYS A 116 -12.110 -11.521 4.652 1.00 61.11 O ATOM 1527 CB LYS A 116 -12.842 -14.370 3.742 1.00 35.12 C ATOM 1528 CG LYS A 116 -11.922 -15.346 4.449 1.00 63.22 C ATOM 1529 CD LYS A 116 -12.676 -16.529 5.033 1.00 23.14 C ATOM 1530 CE LYS A 116 -13.647 -16.120 6.125 1.00 20.45 C ATOM 1531 NZ LYS A 116 -14.358 -17.288 6.693 1.00 2.42 N ATOM 0 H LYS A 116 -10.816 -14.781 2.341 1.00 33.43 H new ATOM 0 HA LYS A 116 -12.850 -12.718 2.412 1.00 4.55 H new ATOM 0 HB2 LYS A 116 -13.509 -13.917 4.475 1.00 35.12 H new ATOM 0 HB3 LYS A 116 -13.468 -14.919 3.039 1.00 35.12 H new ATOM 0 HG2 LYS A 116 -11.171 -15.708 3.747 1.00 63.22 H new ATOM 0 HG3 LYS A 116 -11.390 -14.828 5.247 1.00 63.22 H new ATOM 0 HD2 LYS A 116 -13.222 -17.036 4.237 1.00 23.14 H new ATOM 0 HD3 LYS A 116 -11.962 -17.247 5.437 1.00 23.14 H new ATOM 0 HE2 LYS A 116 -13.106 -15.603 6.918 1.00 20.45 H new ATOM 0 HE3 LYS A 116 -14.372 -15.414 5.721 1.00 20.45 H new ATOM 0 HZ1 LYS A 116 -15.012 -16.969 7.436 1.00 2.42 H new ATOM 0 HZ2 LYS A 116 -14.894 -17.767 5.942 1.00 2.42 H new ATOM 0 HZ3 LYS A 116 -13.667 -17.950 7.101 1.00 2.42 H new ATOM 1545 N SER A 117 -10.140 -12.235 3.856 1.00 2.31 N ATOM 1546 CA SER A 117 -9.342 -11.311 4.566 1.00 61.45 C ATOM 1547 C SER A 117 -7.975 -11.263 3.901 1.00 65.43 C ATOM 1548 O SER A 117 -7.415 -12.312 3.551 1.00 44.31 O ATOM 1549 CB SER A 117 -9.249 -11.713 6.032 1.00 12.24 C ATOM 1550 OG SER A 117 -8.489 -10.785 6.790 1.00 43.11 O ATOM 0 H SER A 117 -9.600 -12.886 3.286 1.00 2.31 H new ATOM 0 HA SER A 117 -9.785 -10.316 4.541 1.00 61.45 H new ATOM 0 HB2 SER A 117 -10.252 -11.789 6.452 1.00 12.24 H new ATOM 0 HB3 SER A 117 -8.796 -12.701 6.109 1.00 12.24 H new ATOM 0 HG SER A 117 -8.454 -11.077 7.725 1.00 43.11 H new ATOM 1556 N PHE A 118 -7.481 -10.070 3.677 1.00 22.44 N ATOM 1557 CA PHE A 118 -6.186 -9.846 3.070 1.00 34.05 C ATOM 1558 C PHE A 118 -5.520 -8.693 3.776 1.00 31.02 C ATOM 1559 O PHE A 118 -5.940 -7.529 3.644 1.00 25.14 O ATOM 1560 CB PHE A 118 -6.319 -9.569 1.553 1.00 4.53 C ATOM 1561 CG PHE A 118 -5.031 -9.233 0.842 1.00 43.23 C ATOM 1562 CD1 PHE A 118 -4.127 -10.215 0.500 1.00 61.55 C ATOM 1563 CD2 PHE A 118 -4.740 -7.922 0.509 1.00 5.30 C ATOM 1564 CE1 PHE A 118 -2.958 -9.899 -0.152 1.00 11.13 C ATOM 1565 CE2 PHE A 118 -3.574 -7.602 -0.146 1.00 31.32 C ATOM 1566 CZ PHE A 118 -2.684 -8.588 -0.477 1.00 74.13 C ATOM 0 H PHE A 118 -7.975 -9.210 3.915 1.00 22.44 H new ATOM 0 HA PHE A 118 -5.574 -10.742 3.175 1.00 34.05 H new ATOM 0 HB2 PHE A 118 -6.759 -10.446 1.078 1.00 4.53 H new ATOM 0 HB3 PHE A 118 -7.018 -8.745 1.411 1.00 4.53 H new ATOM 0 HD1 PHE A 118 -4.339 -11.245 0.747 1.00 61.55 H new ATOM 0 HD2 PHE A 118 -5.438 -7.139 0.767 1.00 5.30 H new ATOM 0 HE1 PHE A 118 -2.255 -10.678 -0.409 1.00 11.13 H new ATOM 0 HE2 PHE A 118 -3.361 -6.574 -0.399 1.00 31.32 H new ATOM 0 HZ PHE A 118 -1.768 -8.339 -0.992 1.00 74.13 H new ATOM 1576 N LEU A 119 -4.525 -9.009 4.541 1.00 71.31 N ATOM 1577 CA LEU A 119 -3.819 -8.038 5.301 1.00 60.30 C ATOM 1578 C LEU A 119 -2.385 -7.997 4.795 1.00 21.04 C ATOM 1579 O LEU A 119 -1.735 -9.035 4.673 1.00 0.30 O ATOM 1580 CB LEU A 119 -3.844 -8.458 6.779 1.00 53.41 C ATOM 1581 CG LEU A 119 -3.315 -7.449 7.795 1.00 42.22 C ATOM 1582 CD1 LEU A 119 -4.217 -6.226 7.847 1.00 50.02 C ATOM 1583 CD2 LEU A 119 -3.194 -8.085 9.169 1.00 24.44 C ATOM 0 H LEU A 119 -4.178 -9.962 4.654 1.00 71.31 H new ATOM 0 HA LEU A 119 -4.274 -7.053 5.201 1.00 60.30 H new ATOM 0 HB2 LEU A 119 -4.873 -8.699 7.045 1.00 53.41 H new ATOM 0 HB3 LEU A 119 -3.265 -9.376 6.880 1.00 53.41 H new ATOM 0 HG LEU A 119 -2.321 -7.131 7.479 1.00 42.22 H new ATOM 0 HD11 LEU A 119 -3.826 -5.516 8.576 1.00 50.02 H new ATOM 0 HD12 LEU A 119 -4.249 -5.756 6.864 1.00 50.02 H new ATOM 0 HD13 LEU A 119 -5.223 -6.528 8.138 1.00 50.02 H new ATOM 0 HD21 LEU A 119 -2.815 -7.349 9.878 1.00 24.44 H new ATOM 0 HD22 LEU A 119 -4.174 -8.434 9.496 1.00 24.44 H new ATOM 0 HD23 LEU A 119 -2.506 -8.929 9.120 1.00 24.44 H new ATOM 1595 N LEU A 120 -1.896 -6.839 4.496 1.00 1.41 N ATOM 1596 CA LEU A 120 -0.541 -6.718 4.021 1.00 54.21 C ATOM 1597 C LEU A 120 0.157 -5.629 4.763 1.00 63.15 C ATOM 1598 O LEU A 120 -0.381 -4.552 4.954 1.00 3.41 O ATOM 1599 CB LEU A 120 -0.430 -6.503 2.483 1.00 45.33 C ATOM 1600 CG LEU A 120 -1.016 -5.212 1.867 1.00 22.25 C ATOM 1601 CD1 LEU A 120 -0.629 -5.116 0.404 1.00 40.11 C ATOM 1602 CD2 LEU A 120 -2.532 -5.172 1.989 1.00 4.40 C ATOM 0 H LEU A 120 -2.407 -5.959 4.569 1.00 1.41 H new ATOM 0 HA LEU A 120 -0.053 -7.673 4.217 1.00 54.21 H new ATOM 0 HB2 LEU A 120 0.627 -6.544 2.220 1.00 45.33 H new ATOM 0 HB3 LEU A 120 -0.913 -7.350 1.996 1.00 45.33 H new ATOM 0 HG LEU A 120 -0.605 -4.366 2.418 1.00 22.25 H new ATOM 0 HD11 LEU A 120 -1.045 -4.204 -0.023 1.00 40.11 H new ATOM 0 HD12 LEU A 120 0.457 -5.095 0.316 1.00 40.11 H new ATOM 0 HD13 LEU A 120 -1.020 -5.980 -0.133 1.00 40.11 H new ATOM 0 HD21 LEU A 120 -2.909 -4.250 1.545 1.00 4.40 H new ATOM 0 HD22 LEU A 120 -2.962 -6.028 1.468 1.00 4.40 H new ATOM 0 HD23 LEU A 120 -2.813 -5.209 3.041 1.00 4.40 H new ATOM 1614 N THR A 121 1.318 -5.909 5.210 1.00 22.11 N ATOM 1615 CA THR A 121 2.060 -4.965 5.957 1.00 64.44 C ATOM 1616 C THR A 121 3.367 -4.689 5.258 1.00 43.05 C ATOM 1617 O THR A 121 4.057 -5.623 4.848 1.00 22.22 O ATOM 1618 CB THR A 121 2.334 -5.523 7.346 1.00 31.22 C ATOM 1619 OG1 THR A 121 1.098 -5.986 7.911 1.00 22.11 O ATOM 1620 CG2 THR A 121 2.907 -4.450 8.237 1.00 14.03 C ATOM 0 H THR A 121 1.787 -6.804 5.069 1.00 22.11 H new ATOM 0 HA THR A 121 1.492 -4.039 6.043 1.00 64.44 H new ATOM 0 HB THR A 121 3.050 -6.341 7.268 1.00 31.22 H new ATOM 0 HG1 THR A 121 1.263 -6.349 8.806 1.00 22.11 H new ATOM 0 HG21 THR A 121 3.098 -4.863 9.227 1.00 14.03 H new ATOM 0 HG22 THR A 121 3.841 -4.083 7.811 1.00 14.03 H new ATOM 0 HG23 THR A 121 2.197 -3.627 8.318 1.00 14.03 H new ATOM 1628 N ILE A 122 3.693 -3.433 5.095 1.00 51.45 N ATOM 1629 CA ILE A 122 4.944 -3.073 4.496 1.00 60.32 C ATOM 1630 C ILE A 122 5.736 -2.246 5.469 1.00 43.13 C ATOM 1631 O ILE A 122 5.161 -1.501 6.286 1.00 51.23 O ATOM 1632 CB ILE A 122 4.797 -2.297 3.154 1.00 44.53 C ATOM 1633 CG1 ILE A 122 4.167 -0.935 3.354 1.00 12.33 C ATOM 1634 CG2 ILE A 122 3.960 -3.087 2.188 1.00 43.31 C ATOM 1635 CD1 ILE A 122 4.114 -0.088 2.090 1.00 23.54 C ATOM 0 H ILE A 122 3.107 -2.645 5.370 1.00 51.45 H new ATOM 0 HA ILE A 122 5.458 -4.004 4.258 1.00 60.32 H new ATOM 0 HB ILE A 122 5.801 -2.155 2.753 1.00 44.53 H new ATOM 0 HG12 ILE A 122 3.154 -1.066 3.734 1.00 12.33 H new ATOM 0 HG13 ILE A 122 4.727 -0.395 4.118 1.00 12.33 H new ATOM 0 HG21 ILE A 122 3.864 -2.535 1.253 1.00 43.31 H new ATOM 0 HG22 ILE A 122 4.437 -4.048 1.994 1.00 43.31 H new ATOM 0 HG23 ILE A 122 2.971 -3.253 2.615 1.00 43.31 H new ATOM 0 HD11 ILE A 122 3.649 0.872 2.315 1.00 23.54 H new ATOM 0 HD12 ILE A 122 5.126 0.076 1.719 1.00 23.54 H new ATOM 0 HD13 ILE A 122 3.529 -0.605 1.330 1.00 23.54 H new ATOM 1647 N GLN A 123 7.017 -2.394 5.429 1.00 71.11 N ATOM 1648 CA GLN A 123 7.871 -1.617 6.261 1.00 4.12 C ATOM 1649 C GLN A 123 9.130 -1.301 5.497 1.00 11.33 C ATOM 1650 O GLN A 123 9.756 -2.196 4.914 1.00 24.14 O ATOM 1651 CB GLN A 123 8.169 -2.356 7.568 1.00 11.43 C ATOM 1652 CG GLN A 123 8.908 -1.519 8.596 1.00 63.52 C ATOM 1653 CD GLN A 123 9.020 -2.201 9.942 1.00 3.23 C ATOM 1654 OE1 GLN A 123 9.089 -3.431 10.037 1.00 61.22 O ATOM 1655 NE2 GLN A 123 9.009 -1.418 10.993 1.00 51.34 N ATOM 0 H GLN A 123 7.500 -3.055 4.821 1.00 71.11 H new ATOM 0 HA GLN A 123 7.380 -0.683 6.533 1.00 4.12 H new ATOM 0 HB2 GLN A 123 7.230 -2.699 8.002 1.00 11.43 H new ATOM 0 HB3 GLN A 123 8.760 -3.244 7.345 1.00 11.43 H new ATOM 0 HG2 GLN A 123 9.908 -1.295 8.224 1.00 63.52 H new ATOM 0 HG3 GLN A 123 8.393 -0.566 8.719 1.00 63.52 H new ATOM 0 HE21 GLN A 123 8.951 -0.407 10.875 1.00 51.34 H new ATOM 0 HE22 GLN A 123 9.058 -1.820 11.929 1.00 51.34 H new ATOM 1664 N VAL A 124 9.480 -0.044 5.458 1.00 4.43 N ATOM 1665 CA VAL A 124 10.648 0.382 4.737 1.00 64.03 C ATOM 1666 C VAL A 124 11.806 0.471 5.704 1.00 14.13 C ATOM 1667 O VAL A 124 11.820 1.297 6.625 1.00 42.15 O ATOM 1668 CB VAL A 124 10.421 1.734 4.016 1.00 51.12 C ATOM 1669 CG1 VAL A 124 11.640 2.117 3.195 1.00 22.21 C ATOM 1670 CG2 VAL A 124 9.194 1.654 3.124 1.00 53.13 C ATOM 0 H VAL A 124 8.969 0.708 5.921 1.00 4.43 H new ATOM 0 HA VAL A 124 10.870 -0.349 3.959 1.00 64.03 H new ATOM 0 HB VAL A 124 10.260 2.503 4.772 1.00 51.12 H new ATOM 0 HG11 VAL A 124 11.459 3.070 2.697 1.00 22.21 H new ATOM 0 HG12 VAL A 124 12.506 2.209 3.851 1.00 22.21 H new ATOM 0 HG13 VAL A 124 11.831 1.347 2.447 1.00 22.21 H new ATOM 0 HG21 VAL A 124 9.045 2.611 2.623 1.00 53.13 H new ATOM 0 HG22 VAL A 124 9.337 0.872 2.378 1.00 53.13 H new ATOM 0 HG23 VAL A 124 8.318 1.422 3.730 1.00 53.13 H new ATOM 1680 N THR A 125 12.745 -0.382 5.515 1.00 51.31 N ATOM 1681 CA THR A 125 13.834 -0.521 6.413 1.00 24.51 C ATOM 1682 C THR A 125 15.149 -0.104 5.730 1.00 72.34 C ATOM 1683 O THR A 125 15.419 -0.506 4.579 1.00 45.32 O ATOM 1684 CB THR A 125 13.907 -2.003 6.842 1.00 32.13 C ATOM 1685 OG1 THR A 125 12.614 -2.422 7.316 1.00 1.01 O ATOM 1686 CG2 THR A 125 14.912 -2.218 7.945 1.00 34.41 C ATOM 0 H THR A 125 12.780 -1.016 4.717 1.00 51.31 H new ATOM 0 HA THR A 125 13.689 0.121 7.282 1.00 24.51 H new ATOM 0 HB THR A 125 14.216 -2.586 5.974 1.00 32.13 H new ATOM 0 HG1 THR A 125 12.337 -3.232 6.839 1.00 1.01 H new ATOM 0 HG21 THR A 125 14.933 -3.273 8.218 1.00 34.41 H new ATOM 0 HG22 THR A 125 15.900 -1.913 7.601 1.00 34.41 H new ATOM 0 HG23 THR A 125 14.631 -1.624 8.815 1.00 34.41 H new ATOM 1694 N PRO A 126 15.966 0.741 6.397 1.00 64.03 N ATOM 1695 CA PRO A 126 17.272 1.106 5.889 1.00 62.51 C ATOM 1696 C PRO A 126 18.225 -0.082 6.020 1.00 22.13 C ATOM 1697 O PRO A 126 18.897 -0.276 7.044 1.00 20.53 O ATOM 1698 CB PRO A 126 17.713 2.285 6.764 1.00 13.01 C ATOM 1699 CG PRO A 126 16.929 2.144 8.030 1.00 1.10 C ATOM 1700 CD PRO A 126 15.661 1.407 7.682 1.00 73.32 C ATOM 0 HA PRO A 126 17.262 1.379 4.834 1.00 62.51 H new ATOM 0 HB2 PRO A 126 18.785 2.253 6.958 1.00 13.01 H new ATOM 0 HB3 PRO A 126 17.506 3.237 6.276 1.00 13.01 H new ATOM 0 HG2 PRO A 126 17.501 1.596 8.779 1.00 1.10 H new ATOM 0 HG3 PRO A 126 16.703 3.122 8.455 1.00 1.10 H new ATOM 0 HD2 PRO A 126 15.398 0.683 8.453 1.00 73.32 H new ATOM 0 HD3 PRO A 126 14.817 2.090 7.585 1.00 73.32 H new ATOM 1708 N LYS A 127 18.192 -0.922 5.020 1.00 54.50 N ATOM 1709 CA LYS A 127 18.947 -2.148 5.004 1.00 70.55 C ATOM 1710 C LYS A 127 20.362 -1.974 4.404 1.00 14.34 C ATOM 1711 O LYS A 127 21.335 -2.327 5.062 1.00 23.12 O ATOM 1712 CB LYS A 127 18.115 -3.272 4.336 1.00 43.43 C ATOM 1713 CG LYS A 127 18.793 -4.631 4.237 1.00 32.20 C ATOM 1714 CD LYS A 127 17.845 -5.687 3.644 1.00 74.40 C ATOM 1715 CE LYS A 127 18.552 -7.035 3.510 1.00 61.10 C ATOM 1716 NZ LYS A 127 17.664 -8.097 3.005 1.00 24.45 N ATOM 0 H LYS A 127 17.632 -0.772 4.181 1.00 54.50 H new ATOM 0 HA LYS A 127 19.134 -2.452 6.034 1.00 70.55 H new ATOM 0 HB2 LYS A 127 17.186 -3.391 4.894 1.00 43.43 H new ATOM 0 HB3 LYS A 127 17.844 -2.949 3.331 1.00 43.43 H new ATOM 0 HG2 LYS A 127 19.685 -4.550 3.616 1.00 32.20 H new ATOM 0 HG3 LYS A 127 19.121 -4.949 5.227 1.00 32.20 H new ATOM 0 HD2 LYS A 127 16.967 -5.793 4.281 1.00 74.40 H new ATOM 0 HD3 LYS A 127 17.492 -5.358 2.667 1.00 74.40 H new ATOM 0 HE2 LYS A 127 19.403 -6.929 2.837 1.00 61.10 H new ATOM 0 HE3 LYS A 127 18.949 -7.330 4.481 1.00 61.10 H new ATOM 0 HZ1 LYS A 127 18.195 -8.989 2.934 1.00 24.45 H new ATOM 0 HZ2 LYS A 127 16.865 -8.221 3.659 1.00 24.45 H new ATOM 0 HZ3 LYS A 127 17.305 -7.832 2.066 1.00 24.45 H new ATOM 1730 N PRO A 128 20.525 -1.426 3.159 1.00 73.44 N ATOM 1731 CA PRO A 128 21.860 -1.208 2.590 1.00 32.00 C ATOM 1732 C PRO A 128 22.487 0.066 3.159 1.00 33.20 C ATOM 1733 O PRO A 128 23.706 0.214 3.211 1.00 74.15 O ATOM 1734 CB PRO A 128 21.595 -1.042 1.074 1.00 52.43 C ATOM 1735 CG PRO A 128 20.129 -1.305 0.891 1.00 4.40 C ATOM 1736 CD PRO A 128 19.488 -1.003 2.207 1.00 73.54 C ATOM 0 HA PRO A 128 22.550 -2.021 2.816 1.00 32.00 H new ATOM 0 HB2 PRO A 128 21.859 -0.039 0.737 1.00 52.43 H new ATOM 0 HB3 PRO A 128 22.195 -1.742 0.492 1.00 52.43 H new ATOM 0 HG2 PRO A 128 19.715 -0.676 0.102 1.00 4.40 H new ATOM 0 HG3 PRO A 128 19.952 -2.340 0.599 1.00 4.40 H new ATOM 0 HD2 PRO A 128 19.247 0.055 2.310 1.00 73.54 H new ATOM 0 HD3 PRO A 128 18.559 -1.556 2.344 1.00 73.54 H new ATOM 1744 N GLY A 129 21.637 0.956 3.596 1.00 15.33 N ATOM 1745 CA GLY A 129 22.052 2.199 4.140 1.00 70.42 C ATOM 1746 C GLY A 129 20.915 3.169 4.088 1.00 3.13 C ATOM 1747 O GLY A 129 19.750 2.751 4.156 1.00 43.42 O ATOM 0 H GLY A 129 20.625 0.826 3.579 1.00 15.33 H new ATOM 0 HA2 GLY A 129 22.383 2.065 5.170 1.00 70.42 H new ATOM 0 HA3 GLY A 129 22.902 2.588 3.580 1.00 70.42 H new ATOM 1751 N GLY A 130 21.229 4.433 3.956 1.00 14.41 N ATOM 1752 CA GLY A 130 20.212 5.454 3.889 1.00 55.42 C ATOM 1753 C GLY A 130 19.529 5.503 2.533 1.00 55.34 C ATOM 1754 O GLY A 130 18.381 5.048 2.394 1.00 41.51 O ATOM 0 H GLY A 130 22.185 4.782 3.892 1.00 14.41 H new ATOM 0 HA2 GLY A 130 19.466 5.271 4.662 1.00 55.42 H new ATOM 0 HA3 GLY A 130 20.661 6.424 4.102 1.00 55.42 H new ATOM 1758 N PRO A 131 20.188 6.085 1.514 1.00 73.44 N ATOM 1759 CA PRO A 131 19.660 6.125 0.149 1.00 33.14 C ATOM 1760 C PRO A 131 19.465 4.716 -0.398 1.00 13.14 C ATOM 1761 O PRO A 131 20.374 3.877 -0.321 1.00 52.14 O ATOM 1762 CB PRO A 131 20.739 6.876 -0.643 1.00 1.42 C ATOM 1763 CG PRO A 131 21.962 6.806 0.201 1.00 60.13 C ATOM 1764 CD PRO A 131 21.485 6.774 1.615 1.00 63.22 C ATOM 0 HA PRO A 131 18.684 6.607 0.089 1.00 33.14 H new ATOM 0 HB2 PRO A 131 20.905 6.415 -1.617 1.00 1.42 H new ATOM 0 HB3 PRO A 131 20.445 7.910 -0.826 1.00 1.42 H new ATOM 0 HG2 PRO A 131 22.547 5.917 -0.033 1.00 60.13 H new ATOM 0 HG3 PRO A 131 22.607 7.667 0.026 1.00 60.13 H new ATOM 0 HD2 PRO A 131 22.178 6.236 2.262 1.00 63.22 H new ATOM 0 HD3 PRO A 131 21.378 7.777 2.027 1.00 63.22 H new ATOM 1772 N GLY A 132 18.288 4.457 -0.928 1.00 22.25 N ATOM 1773 CA GLY A 132 17.974 3.143 -1.415 1.00 35.14 C ATOM 1774 C GLY A 132 17.692 2.193 -0.275 1.00 72.32 C ATOM 1775 O GLY A 132 18.578 1.481 0.180 1.00 24.54 O ATOM 0 H GLY A 132 17.539 5.142 -1.030 1.00 22.25 H new ATOM 0 HA2 GLY A 132 17.107 3.194 -2.073 1.00 35.14 H new ATOM 0 HA3 GLY A 132 18.805 2.765 -2.011 1.00 35.14 H new ATOM 1779 N SER A 133 16.476 2.198 0.194 1.00 20.04 N ATOM 1780 CA SER A 133 16.085 1.351 1.285 1.00 3.12 C ATOM 1781 C SER A 133 15.361 0.097 0.782 1.00 61.31 C ATOM 1782 O SER A 133 15.104 -0.054 -0.420 1.00 63.43 O ATOM 1783 CB SER A 133 15.230 2.149 2.257 1.00 65.44 C ATOM 1784 OG SER A 133 15.971 3.266 2.757 1.00 5.31 O ATOM 0 H SER A 133 15.728 2.789 -0.169 1.00 20.04 H new ATOM 0 HA SER A 133 16.975 1.004 1.810 1.00 3.12 H new ATOM 0 HB2 SER A 133 14.325 2.496 1.758 1.00 65.44 H new ATOM 0 HB3 SER A 133 14.914 1.512 3.083 1.00 65.44 H new ATOM 0 HG SER A 133 16.182 3.122 3.703 1.00 5.31 H new ATOM 1790 N ILE A 134 15.060 -0.800 1.687 1.00 72.24 N ATOM 1791 CA ILE A 134 14.429 -2.049 1.357 1.00 74.13 C ATOM 1792 C ILE A 134 13.063 -2.091 1.967 1.00 75.33 C ATOM 1793 O ILE A 134 12.898 -1.803 3.158 1.00 43.14 O ATOM 1794 CB ILE A 134 15.255 -3.204 1.919 1.00 32.51 C ATOM 1795 CG1 ILE A 134 16.614 -3.172 1.265 1.00 33.41 C ATOM 1796 CG2 ILE A 134 14.567 -4.562 1.693 1.00 42.21 C ATOM 1797 CD1 ILE A 134 16.610 -3.392 -0.206 1.00 63.40 C ATOM 0 H ILE A 134 15.249 -0.681 2.682 1.00 72.24 H new ATOM 0 HA ILE A 134 14.357 -2.140 0.273 1.00 74.13 H new ATOM 0 HB ILE A 134 15.354 -3.085 2.998 1.00 32.51 H new ATOM 0 HG12 ILE A 134 17.077 -2.207 1.471 1.00 33.41 H new ATOM 0 HG13 ILE A 134 17.242 -3.933 1.729 1.00 33.41 H new ATOM 0 HG21 ILE A 134 15.187 -5.357 2.107 1.00 42.21 H new ATOM 0 HG22 ILE A 134 13.595 -4.564 2.187 1.00 42.21 H new ATOM 0 HG23 ILE A 134 14.431 -4.727 0.624 1.00 42.21 H new ATOM 0 HD11 ILE A 134 17.632 -3.351 -0.583 1.00 63.40 H new ATOM 0 HD12 ILE A 134 16.181 -4.370 -0.427 1.00 63.40 H new ATOM 0 HD13 ILE A 134 16.014 -2.617 -0.688 1.00 63.40 H new ATOM 1809 N VAL A 135 12.103 -2.431 1.192 1.00 15.41 N ATOM 1810 CA VAL A 135 10.753 -2.515 1.693 1.00 13.13 C ATOM 1811 C VAL A 135 10.338 -3.964 1.864 1.00 53.52 C ATOM 1812 O VAL A 135 10.406 -4.773 0.925 1.00 65.41 O ATOM 1813 CB VAL A 135 9.698 -1.686 0.870 1.00 41.14 C ATOM 1814 CG1 VAL A 135 9.612 -2.119 -0.574 1.00 51.42 C ATOM 1815 CG2 VAL A 135 8.322 -1.736 1.530 1.00 3.51 C ATOM 0 H VAL A 135 12.210 -2.659 0.204 1.00 15.41 H new ATOM 0 HA VAL A 135 10.763 -2.036 2.672 1.00 13.13 H new ATOM 0 HB VAL A 135 10.049 -0.654 0.871 1.00 41.14 H new ATOM 0 HG11 VAL A 135 8.869 -1.513 -1.092 1.00 51.42 H new ATOM 0 HG12 VAL A 135 10.583 -1.989 -1.051 1.00 51.42 H new ATOM 0 HG13 VAL A 135 9.322 -3.169 -0.622 1.00 51.42 H new ATOM 0 HG21 VAL A 135 7.614 -1.155 0.939 1.00 3.51 H new ATOM 0 HG22 VAL A 135 7.983 -2.770 1.587 1.00 3.51 H new ATOM 0 HG23 VAL A 135 8.385 -1.319 2.535 1.00 3.51 H new ATOM 1825 N HIS A 136 9.964 -4.289 3.066 1.00 10.44 N ATOM 1826 CA HIS A 136 9.554 -5.623 3.407 1.00 22.15 C ATOM 1827 C HIS A 136 8.051 -5.730 3.291 1.00 42.20 C ATOM 1828 O HIS A 136 7.328 -5.068 4.036 1.00 20.12 O ATOM 1829 CB HIS A 136 9.989 -5.983 4.849 1.00 60.11 C ATOM 1830 CG HIS A 136 11.471 -5.988 5.091 1.00 60.55 C ATOM 1831 ND1 HIS A 136 12.307 -5.008 5.518 1.00 21.31 N flip ATOM 1832 CD2 HIS A 136 12.253 -7.099 4.926 1.00 2.31 C flip ATOM 1833 CE1 HIS A 136 13.565 -5.555 5.600 1.00 54.13 C flip ATOM 1834 NE2 HIS A 136 13.496 -6.819 5.234 1.00 33.10 N flip ATOM 0 H HIS A 136 9.934 -3.632 3.845 1.00 10.44 H new ATOM 0 HA HIS A 136 10.032 -6.320 2.719 1.00 22.15 H new ATOM 0 HB2 HIS A 136 9.528 -5.275 5.537 1.00 60.11 H new ATOM 0 HB3 HIS A 136 9.594 -6.969 5.094 1.00 60.11 H new ATOM 0 HD2 HIS A 136 11.899 -8.063 4.592 1.00 2.31 H new ATOM 0 HE1 HIS A 136 14.459 -5.036 5.912 1.00 54.13 H new ATOM 0 HE2 HIS A 136 14.279 -7.471 5.197 1.00 33.10 H new ATOM 1843 N TRP A 137 7.581 -6.508 2.340 1.00 42.22 N ATOM 1844 CA TRP A 137 6.161 -6.743 2.192 1.00 71.15 C ATOM 1845 C TRP A 137 5.823 -8.056 2.823 1.00 43.41 C ATOM 1846 O TRP A 137 6.351 -9.095 2.423 1.00 72.34 O ATOM 1847 CB TRP A 137 5.748 -6.826 0.721 1.00 22.22 C ATOM 1848 CG TRP A 137 5.930 -5.586 -0.077 1.00 33.32 C ATOM 1849 CD1 TRP A 137 7.102 -5.000 -0.462 1.00 64.32 C ATOM 1850 CD2 TRP A 137 4.888 -4.795 -0.625 1.00 52.53 C ATOM 1851 NE1 TRP A 137 6.835 -3.884 -1.202 1.00 43.23 N ATOM 1852 CE2 TRP A 137 5.487 -3.732 -1.313 1.00 44.10 C ATOM 1853 CE3 TRP A 137 3.493 -4.882 -0.590 1.00 13.33 C ATOM 1854 CZ2 TRP A 137 4.749 -2.759 -1.962 1.00 10.34 C ATOM 1855 CZ3 TRP A 137 2.758 -3.920 -1.233 1.00 2.52 C ATOM 1856 CH2 TRP A 137 3.385 -2.870 -1.909 1.00 2.21 C ATOM 0 H TRP A 137 8.164 -6.990 1.656 1.00 42.22 H new ATOM 0 HA TRP A 137 5.637 -5.912 2.664 1.00 71.15 H new ATOM 0 HB2 TRP A 137 6.318 -7.626 0.248 1.00 22.22 H new ATOM 0 HB3 TRP A 137 4.698 -7.113 0.675 1.00 22.22 H new ATOM 0 HD1 TRP A 137 8.089 -5.364 -0.218 1.00 64.32 H new ATOM 0 HE1 TRP A 137 7.535 -3.263 -1.607 1.00 43.23 H new ATOM 0 HE3 TRP A 137 3.004 -5.691 -0.067 1.00 13.33 H new ATOM 0 HZ2 TRP A 137 5.228 -1.946 -2.488 1.00 10.34 H new ATOM 0 HZ3 TRP A 137 1.679 -3.974 -1.217 1.00 2.52 H new ATOM 0 HH2 TRP A 137 2.778 -2.126 -2.403 1.00 2.21 H new ATOM 1867 N HIS A 138 4.952 -8.032 3.769 1.00 44.25 N ATOM 1868 CA HIS A 138 4.519 -9.221 4.405 1.00 70.10 C ATOM 1869 C HIS A 138 3.008 -9.290 4.281 1.00 21.41 C ATOM 1870 O HIS A 138 2.290 -8.484 4.871 1.00 33.34 O ATOM 1871 CB HIS A 138 4.986 -9.208 5.866 1.00 63.34 C ATOM 1872 CG HIS A 138 4.614 -10.407 6.654 1.00 24.13 C ATOM 1873 ND1 HIS A 138 5.415 -11.520 6.780 1.00 40.15 N ATOM 1874 CD2 HIS A 138 3.521 -10.648 7.378 1.00 2.12 C ATOM 1875 CE1 HIS A 138 4.819 -12.396 7.556 1.00 43.24 C ATOM 1876 NE2 HIS A 138 3.661 -11.890 7.934 1.00 22.35 N ATOM 0 H HIS A 138 4.518 -7.180 4.124 1.00 44.25 H new ATOM 0 HA HIS A 138 4.945 -10.109 3.938 1.00 70.10 H new ATOM 0 HB2 HIS A 138 6.071 -9.102 5.884 1.00 63.34 H new ATOM 0 HB3 HIS A 138 4.572 -8.327 6.356 1.00 63.34 H new ATOM 0 HD1 HIS A 138 6.327 -11.644 6.340 1.00 40.15 H new ATOM 0 HD2 HIS A 138 2.679 -9.984 7.503 1.00 2.12 H new ATOM 0 HE1 HIS A 138 5.209 -13.363 7.836 1.00 43.24 H new ATOM 1885 N LEU A 139 2.544 -10.233 3.510 1.00 3.43 N ATOM 1886 CA LEU A 139 1.140 -10.376 3.211 1.00 24.15 C ATOM 1887 C LEU A 139 0.600 -11.631 3.880 1.00 43.44 C ATOM 1888 O LEU A 139 1.217 -12.697 3.789 1.00 43.15 O ATOM 1889 CB LEU A 139 0.899 -10.491 1.668 1.00 1.14 C ATOM 1890 CG LEU A 139 1.395 -9.347 0.719 1.00 24.12 C ATOM 1891 CD1 LEU A 139 2.912 -9.257 0.645 1.00 12.31 C ATOM 1892 CD2 LEU A 139 0.815 -9.526 -0.672 1.00 55.43 C ATOM 0 H LEU A 139 3.135 -10.935 3.064 1.00 3.43 H new ATOM 0 HA LEU A 139 0.626 -9.491 3.586 1.00 24.15 H new ATOM 0 HB2 LEU A 139 1.366 -11.417 1.333 1.00 1.14 H new ATOM 0 HB3 LEU A 139 -0.174 -10.601 1.513 1.00 1.14 H new ATOM 0 HG LEU A 139 1.040 -8.409 1.146 1.00 24.12 H new ATOM 0 HD11 LEU A 139 3.196 -8.447 -0.027 1.00 12.31 H new ATOM 0 HD12 LEU A 139 3.314 -9.062 1.639 1.00 12.31 H new ATOM 0 HD13 LEU A 139 3.314 -10.198 0.270 1.00 12.31 H new ATOM 0 HD21 LEU A 139 1.169 -8.724 -1.320 1.00 55.43 H new ATOM 0 HD22 LEU A 139 1.132 -10.487 -1.078 1.00 55.43 H new ATOM 0 HD23 LEU A 139 -0.273 -9.496 -0.619 1.00 55.43 H new ATOM 1904 N GLU A 140 -0.520 -11.505 4.543 1.00 1.34 N ATOM 1905 CA GLU A 140 -1.199 -12.622 5.170 1.00 63.51 C ATOM 1906 C GLU A 140 -2.665 -12.562 4.798 1.00 71.41 C ATOM 1907 O GLU A 140 -3.311 -11.521 4.938 1.00 41.32 O ATOM 1908 CB GLU A 140 -1.016 -12.619 6.692 1.00 44.45 C ATOM 1909 CG GLU A 140 0.426 -12.799 7.127 1.00 41.25 C ATOM 1910 CD GLU A 140 0.594 -12.829 8.619 1.00 55.10 C ATOM 1911 OE1 GLU A 140 0.505 -13.916 9.210 1.00 21.51 O ATOM 1912 OE2 GLU A 140 0.839 -11.768 9.219 1.00 1.54 O ATOM 0 H GLU A 140 -0.998 -10.612 4.668 1.00 1.34 H new ATOM 0 HA GLU A 140 -0.762 -13.553 4.809 1.00 63.51 H new ATOM 0 HB2 GLU A 140 -1.394 -11.679 7.094 1.00 44.45 H new ATOM 0 HB3 GLU A 140 -1.620 -13.416 7.124 1.00 44.45 H new ATOM 0 HG2 GLU A 140 0.813 -13.727 6.705 1.00 41.25 H new ATOM 0 HG3 GLU A 140 1.027 -11.987 6.716 1.00 41.25 H new ATOM 1919 N TYR A 141 -3.178 -13.649 4.315 1.00 33.22 N ATOM 1920 CA TYR A 141 -4.523 -13.680 3.817 1.00 65.22 C ATOM 1921 C TYR A 141 -5.213 -15.009 4.059 1.00 23.13 C ATOM 1922 O TYR A 141 -4.568 -16.046 4.239 1.00 23.02 O ATOM 1923 CB TYR A 141 -4.555 -13.240 2.337 1.00 72.04 C ATOM 1924 CG TYR A 141 -3.512 -13.906 1.454 1.00 41.42 C ATOM 1925 CD1 TYR A 141 -2.207 -13.419 1.408 1.00 43.34 C ATOM 1926 CD2 TYR A 141 -3.816 -15.003 0.682 1.00 55.35 C ATOM 1927 CE1 TYR A 141 -1.247 -14.015 0.630 1.00 3.24 C ATOM 1928 CE2 TYR A 141 -2.869 -15.598 -0.104 1.00 24.33 C ATOM 1929 CZ TYR A 141 -1.580 -15.107 -0.129 1.00 34.22 C ATOM 1930 OH TYR A 141 -0.620 -15.727 -0.916 1.00 50.02 O ATOM 0 H TYR A 141 -2.682 -14.538 4.253 1.00 33.22 H new ATOM 0 HA TYR A 141 -5.108 -12.959 4.389 1.00 65.22 H new ATOM 0 HB2 TYR A 141 -5.544 -13.451 1.930 1.00 72.04 H new ATOM 0 HB3 TYR A 141 -4.415 -12.160 2.290 1.00 72.04 H new ATOM 0 HD1 TYR A 141 -1.946 -12.553 1.998 1.00 43.34 H new ATOM 0 HD2 TYR A 141 -4.820 -15.401 0.697 1.00 55.35 H new ATOM 0 HE1 TYR A 141 -0.239 -13.628 0.616 1.00 3.24 H new ATOM 0 HE2 TYR A 141 -3.131 -16.455 -0.707 1.00 24.33 H new ATOM 0 HH TYR A 141 0.147 -15.977 -0.360 1.00 50.02 H new ATOM 1940 N GLU A 142 -6.510 -14.958 4.072 1.00 21.13 N ATOM 1941 CA GLU A 142 -7.344 -16.094 4.376 1.00 54.35 C ATOM 1942 C GLU A 142 -8.073 -16.522 3.099 1.00 32.04 C ATOM 1943 O GLU A 142 -8.803 -15.720 2.511 1.00 53.00 O ATOM 1944 CB GLU A 142 -8.367 -15.644 5.421 1.00 43.31 C ATOM 1945 CG GLU A 142 -9.199 -16.748 6.032 1.00 63.33 C ATOM 1946 CD GLU A 142 -8.395 -17.667 6.899 1.00 24.10 C ATOM 1947 OE1 GLU A 142 -8.167 -17.322 8.076 1.00 2.11 O ATOM 1948 OE2 GLU A 142 -8.014 -18.746 6.439 1.00 31.44 O ATOM 0 H GLU A 142 -7.036 -14.108 3.868 1.00 21.13 H new ATOM 0 HA GLU A 142 -6.754 -16.930 4.753 1.00 54.35 H new ATOM 0 HB2 GLU A 142 -7.839 -15.125 6.221 1.00 43.31 H new ATOM 0 HB3 GLU A 142 -9.038 -14.920 4.959 1.00 43.31 H new ATOM 0 HG2 GLU A 142 -10.002 -16.307 6.623 1.00 63.33 H new ATOM 0 HG3 GLU A 142 -9.669 -17.325 5.236 1.00 63.33 H new ATOM 1955 N LYS A 143 -7.875 -17.757 2.676 1.00 35.51 N ATOM 1956 CA LYS A 143 -8.493 -18.262 1.447 1.00 72.35 C ATOM 1957 C LYS A 143 -9.935 -18.696 1.717 1.00 5.43 C ATOM 1958 O LYS A 143 -10.206 -19.389 2.715 1.00 22.43 O ATOM 1959 CB LYS A 143 -7.741 -19.504 0.920 1.00 31.23 C ATOM 1960 CG LYS A 143 -6.263 -19.352 0.571 1.00 32.11 C ATOM 1961 CD LYS A 143 -6.011 -18.438 -0.568 1.00 35.44 C ATOM 1962 CE LYS A 143 -4.523 -18.421 -0.895 1.00 31.20 C ATOM 1963 NZ LYS A 143 -3.995 -19.763 -1.232 1.00 15.52 N ATOM 0 H LYS A 143 -7.290 -18.437 3.162 1.00 35.51 H new ATOM 0 HA LYS A 143 -8.456 -17.455 0.715 1.00 72.35 H new ATOM 0 HB2 LYS A 143 -7.828 -20.290 1.670 1.00 31.23 H new ATOM 0 HB3 LYS A 143 -8.260 -19.855 0.028 1.00 31.23 H new ATOM 0 HG2 LYS A 143 -5.728 -18.984 1.446 1.00 32.11 H new ATOM 0 HG3 LYS A 143 -5.851 -20.334 0.336 1.00 32.11 H new ATOM 0 HD2 LYS A 143 -6.581 -18.762 -1.439 1.00 35.44 H new ATOM 0 HD3 LYS A 143 -6.350 -17.432 -0.321 1.00 35.44 H new ATOM 0 HE2 LYS A 143 -4.347 -17.745 -1.732 1.00 31.20 H new ATOM 0 HE3 LYS A 143 -3.973 -18.022 -0.043 1.00 31.20 H new ATOM 0 HZ1 LYS A 143 -3.096 -19.663 -1.746 1.00 15.52 H new ATOM 0 HZ2 LYS A 143 -3.836 -20.303 -0.358 1.00 15.52 H new ATOM 0 HZ3 LYS A 143 -4.682 -20.266 -1.830 1.00 15.52 H new ATOM 1977 N ILE A 144 -10.849 -18.282 0.868 1.00 61.33 N ATOM 1978 CA ILE A 144 -12.206 -18.782 0.928 1.00 62.43 C ATOM 1979 C ILE A 144 -12.192 -20.167 0.300 1.00 13.42 C ATOM 1980 O ILE A 144 -12.714 -21.148 0.854 1.00 44.35 O ATOM 1981 CB ILE A 144 -13.172 -17.881 0.113 1.00 54.01 C ATOM 1982 CG1 ILE A 144 -13.226 -16.467 0.674 1.00 74.21 C ATOM 1983 CG2 ILE A 144 -14.556 -18.476 0.078 1.00 43.01 C ATOM 1984 CD1 ILE A 144 -14.015 -15.516 -0.200 1.00 52.54 C ATOM 0 H ILE A 144 -10.678 -17.601 0.128 1.00 61.33 H new ATOM 0 HA ILE A 144 -12.549 -18.798 1.963 1.00 62.43 H new ATOM 0 HB ILE A 144 -12.784 -17.827 -0.904 1.00 54.01 H new ATOM 0 HG12 ILE A 144 -13.672 -16.493 1.668 1.00 74.21 H new ATOM 0 HG13 ILE A 144 -12.210 -16.088 0.790 1.00 74.21 H new ATOM 0 HG21 ILE A 144 -15.216 -17.828 -0.498 1.00 43.01 H new ATOM 0 HG22 ILE A 144 -14.517 -19.461 -0.388 1.00 43.01 H new ATOM 0 HG23 ILE A 144 -14.937 -18.570 1.095 1.00 43.01 H new ATOM 0 HD11 ILE A 144 -14.018 -14.524 0.252 1.00 52.54 H new ATOM 0 HD12 ILE A 144 -13.556 -15.464 -1.187 1.00 52.54 H new ATOM 0 HD13 ILE A 144 -15.040 -15.874 -0.295 1.00 52.54 H new ATOM 1996 N SER A 145 -11.561 -20.229 -0.831 1.00 54.32 N ATOM 1997 CA SER A 145 -11.382 -21.416 -1.576 1.00 43.15 C ATOM 1998 C SER A 145 -9.943 -21.412 -2.094 1.00 34.42 C ATOM 1999 O SER A 145 -9.072 -20.756 -1.525 1.00 43.24 O ATOM 2000 CB SER A 145 -12.379 -21.411 -2.749 1.00 11.44 C ATOM 2001 OG SER A 145 -12.347 -22.638 -3.489 1.00 61.35 O ATOM 0 H SER A 145 -11.141 -19.411 -1.272 1.00 54.32 H new ATOM 0 HA SER A 145 -11.557 -22.307 -0.972 1.00 43.15 H new ATOM 0 HB2 SER A 145 -13.386 -21.245 -2.367 1.00 11.44 H new ATOM 0 HB3 SER A 145 -12.149 -20.580 -3.416 1.00 11.44 H new ATOM 0 HG SER A 145 -12.995 -22.594 -4.223 1.00 61.35 H new ATOM 2007 N GLU A 146 -9.706 -22.131 -3.144 1.00 53.05 N ATOM 2008 CA GLU A 146 -8.392 -22.221 -3.733 1.00 60.34 C ATOM 2009 C GLU A 146 -8.477 -21.885 -5.186 1.00 40.42 C ATOM 2010 O GLU A 146 -7.527 -21.384 -5.788 1.00 63.04 O ATOM 2011 CB GLU A 146 -7.915 -23.621 -3.690 1.00 61.42 C ATOM 2012 CG GLU A 146 -7.844 -24.266 -2.317 1.00 72.35 C ATOM 2013 CD GLU A 146 -7.299 -25.666 -2.390 1.00 21.40 C ATOM 2014 OE1 GLU A 146 -8.066 -26.604 -2.711 1.00 44.03 O ATOM 2015 OE2 GLU A 146 -6.095 -25.847 -2.162 1.00 62.12 O ATOM 0 H GLU A 146 -10.418 -22.679 -3.626 1.00 53.05 H new ATOM 0 HA GLU A 146 -7.732 -21.548 -3.186 1.00 60.34 H new ATOM 0 HB2 GLU A 146 -8.570 -24.225 -4.318 1.00 61.42 H new ATOM 0 HB3 GLU A 146 -6.922 -23.658 -4.137 1.00 61.42 H new ATOM 0 HG2 GLU A 146 -7.213 -23.663 -1.663 1.00 72.35 H new ATOM 0 HG3 GLU A 146 -8.839 -24.285 -1.871 1.00 72.35 H new ATOM 2022 N GLU A 147 -9.633 -22.176 -5.746 1.00 55.05 N ATOM 2023 CA GLU A 147 -9.899 -22.076 -7.167 1.00 24.44 C ATOM 2024 C GLU A 147 -9.801 -20.643 -7.628 1.00 32.13 C ATOM 2025 O GLU A 147 -9.549 -20.354 -8.806 1.00 61.01 O ATOM 2026 CB GLU A 147 -11.316 -22.548 -7.428 1.00 45.23 C ATOM 2027 CG GLU A 147 -11.662 -23.885 -6.817 1.00 13.01 C ATOM 2028 CD GLU A 147 -13.082 -24.268 -7.102 1.00 31.12 C ATOM 2029 OE1 GLU A 147 -14.007 -23.680 -6.499 1.00 54.23 O ATOM 2030 OE2 GLU A 147 -13.309 -25.132 -7.961 1.00 23.41 O ATOM 0 H GLU A 147 -10.438 -22.498 -5.209 1.00 55.05 H new ATOM 0 HA GLU A 147 -9.169 -22.683 -7.702 1.00 24.44 H new ATOM 0 HB2 GLU A 147 -12.009 -21.799 -7.045 1.00 45.23 H new ATOM 0 HB3 GLU A 147 -11.472 -22.606 -8.505 1.00 45.23 H new ATOM 0 HG2 GLU A 147 -10.992 -24.650 -7.210 1.00 13.01 H new ATOM 0 HG3 GLU A 147 -11.504 -23.845 -5.739 1.00 13.01 H new ATOM 2037 N VAL A 148 -9.985 -19.755 -6.720 1.00 55.44 N ATOM 2038 CA VAL A 148 -10.058 -18.342 -7.057 1.00 60.43 C ATOM 2039 C VAL A 148 -8.770 -17.642 -6.611 1.00 52.22 C ATOM 2040 O VAL A 148 -8.408 -16.576 -7.131 1.00 61.21 O ATOM 2041 CB VAL A 148 -11.321 -17.668 -6.396 1.00 33.01 C ATOM 2042 CG1 VAL A 148 -11.563 -16.259 -6.912 1.00 51.32 C ATOM 2043 CG2 VAL A 148 -12.554 -18.543 -6.586 1.00 3.11 C ATOM 0 H VAL A 148 -10.091 -19.962 -5.727 1.00 55.44 H new ATOM 0 HA VAL A 148 -10.161 -18.242 -8.138 1.00 60.43 H new ATOM 0 HB VAL A 148 -11.119 -17.578 -5.329 1.00 33.01 H new ATOM 0 HG11 VAL A 148 -12.444 -15.840 -6.426 1.00 51.32 H new ATOM 0 HG12 VAL A 148 -10.696 -15.637 -6.691 1.00 51.32 H new ATOM 0 HG13 VAL A 148 -11.723 -16.289 -7.990 1.00 51.32 H new ATOM 0 HG21 VAL A 148 -13.416 -18.062 -6.124 1.00 3.11 H new ATOM 0 HG22 VAL A 148 -12.743 -18.680 -7.651 1.00 3.11 H new ATOM 0 HG23 VAL A 148 -12.387 -19.514 -6.120 1.00 3.11 H new ATOM 2053 N ALA A 149 -8.073 -18.276 -5.660 1.00 24.40 N ATOM 2054 CA ALA A 149 -6.837 -17.759 -5.100 1.00 62.20 C ATOM 2055 C ALA A 149 -5.801 -17.559 -6.157 1.00 12.13 C ATOM 2056 O ALA A 149 -5.576 -18.419 -7.011 1.00 11.35 O ATOM 2057 CB ALA A 149 -6.321 -18.637 -3.962 1.00 53.44 C ATOM 0 H ALA A 149 -8.361 -19.169 -5.260 1.00 24.40 H new ATOM 0 HA ALA A 149 -7.058 -16.781 -4.673 1.00 62.20 H new ATOM 0 HB1 ALA A 149 -5.395 -18.217 -3.570 1.00 53.44 H new ATOM 0 HB2 ALA A 149 -7.066 -18.678 -3.168 1.00 53.44 H new ATOM 0 HB3 ALA A 149 -6.133 -19.644 -4.336 1.00 53.44 H new ATOM 2063 N HIS A 150 -5.182 -16.433 -6.106 1.00 73.13 N ATOM 2064 CA HIS A 150 -4.232 -16.040 -7.103 1.00 10.51 C ATOM 2065 C HIS A 150 -3.201 -15.090 -6.563 1.00 31.14 C ATOM 2066 O HIS A 150 -3.366 -13.883 -6.610 1.00 75.43 O ATOM 2067 CB HIS A 150 -4.917 -15.536 -8.417 1.00 14.42 C ATOM 2068 CG HIS A 150 -5.955 -14.436 -8.277 1.00 22.34 C ATOM 2069 ND1 HIS A 150 -6.422 -13.728 -9.352 1.00 53.03 N ATOM 2070 CD2 HIS A 150 -6.649 -13.973 -7.205 1.00 74.54 C ATOM 2071 CE1 HIS A 150 -7.345 -12.885 -8.959 1.00 2.13 C ATOM 2072 NE2 HIS A 150 -7.506 -13.013 -7.660 1.00 13.21 N ATOM 0 H HIS A 150 -5.318 -15.746 -5.365 1.00 73.13 H new ATOM 0 HA HIS A 150 -3.684 -16.938 -7.388 1.00 10.51 H new ATOM 0 HB2 HIS A 150 -4.137 -15.182 -9.091 1.00 14.42 H new ATOM 0 HB3 HIS A 150 -5.392 -16.390 -8.900 1.00 14.42 H new ATOM 0 HD2 HIS A 150 -6.542 -14.303 -6.182 1.00 74.54 H new ATOM 0 HE1 HIS A 150 -7.884 -12.199 -9.596 1.00 2.13 H new ATOM 0 HE2 HIS A 150 -8.163 -12.483 -7.087 1.00 13.21 H new ATOM 2081 N PRO A 151 -2.122 -15.641 -5.956 1.00 74.35 N ATOM 2082 CA PRO A 151 -0.973 -14.846 -5.467 1.00 44.31 C ATOM 2083 C PRO A 151 -0.250 -14.181 -6.633 1.00 14.31 C ATOM 2084 O PRO A 151 0.589 -13.290 -6.452 1.00 12.04 O ATOM 2085 CB PRO A 151 -0.076 -15.899 -4.787 1.00 51.24 C ATOM 2086 CG PRO A 151 -1.011 -17.019 -4.472 1.00 74.22 C ATOM 2087 CD PRO A 151 -1.944 -17.076 -5.639 1.00 64.13 C ATOM 0 HA PRO A 151 -1.261 -14.039 -4.794 1.00 44.31 H new ATOM 0 HB2 PRO A 151 0.729 -16.224 -5.447 1.00 51.24 H new ATOM 0 HB3 PRO A 151 0.391 -15.503 -3.885 1.00 51.24 H new ATOM 0 HG2 PRO A 151 -0.474 -17.960 -4.348 1.00 74.22 H new ATOM 0 HG3 PRO A 151 -1.550 -16.835 -3.543 1.00 74.22 H new ATOM 0 HD2 PRO A 151 -1.518 -17.630 -6.476 1.00 64.13 H new ATOM 0 HD3 PRO A 151 -2.888 -17.558 -5.385 1.00 64.13 H new ATOM 2095 N GLU A 152 -0.622 -14.630 -7.825 1.00 25.52 N ATOM 2096 CA GLU A 152 -0.160 -14.117 -9.095 1.00 72.23 C ATOM 2097 C GLU A 152 -0.379 -12.607 -9.127 1.00 23.42 C ATOM 2098 O GLU A 152 0.497 -11.832 -9.503 1.00 31.12 O ATOM 2099 CB GLU A 152 -1.047 -14.708 -10.206 1.00 54.52 C ATOM 2100 CG GLU A 152 -1.240 -16.220 -10.165 1.00 63.12 C ATOM 2101 CD GLU A 152 0.025 -16.993 -10.356 1.00 33.42 C ATOM 2102 OE1 GLU A 152 0.352 -17.326 -11.513 1.00 21.15 O ATOM 2103 OE2 GLU A 152 0.691 -17.314 -9.367 1.00 34.13 O ATOM 0 H GLU A 152 -1.285 -15.398 -7.930 1.00 25.52 H new ATOM 0 HA GLU A 152 0.891 -14.371 -9.233 1.00 72.23 H new ATOM 0 HB2 GLU A 152 -2.027 -14.234 -10.154 1.00 54.52 H new ATOM 0 HB3 GLU A 152 -0.615 -14.442 -11.171 1.00 54.52 H new ATOM 0 HG2 GLU A 152 -1.682 -16.495 -9.207 1.00 63.12 H new ATOM 0 HG3 GLU A 152 -1.951 -16.508 -10.939 1.00 63.12 H new ATOM 2110 N THR A 153 -1.567 -12.207 -8.714 1.00 32.42 N ATOM 2111 CA THR A 153 -1.972 -10.834 -8.775 1.00 11.31 C ATOM 2112 C THR A 153 -1.426 -10.056 -7.590 1.00 61.24 C ATOM 2113 O THR A 153 -1.136 -8.870 -7.698 1.00 32.03 O ATOM 2114 CB THR A 153 -3.514 -10.737 -8.824 1.00 31.41 C ATOM 2115 OG1 THR A 153 -4.074 -11.256 -7.614 1.00 62.14 O ATOM 2116 CG2 THR A 153 -4.033 -11.580 -9.969 1.00 61.11 C ATOM 0 H THR A 153 -2.273 -12.834 -8.328 1.00 32.42 H new ATOM 0 HA THR A 153 -1.563 -10.393 -9.684 1.00 11.31 H new ATOM 0 HB THR A 153 -3.794 -9.692 -8.953 1.00 31.41 H new ATOM 0 HG1 THR A 153 -3.829 -12.200 -7.519 1.00 62.14 H new ATOM 0 HG21 THR A 153 -5.120 -11.514 -10.006 1.00 61.11 H new ATOM 0 HG22 THR A 153 -3.615 -11.216 -10.908 1.00 61.11 H new ATOM 0 HG23 THR A 153 -3.738 -12.619 -9.819 1.00 61.11 H new ATOM 2124 N LEU A 154 -1.261 -10.751 -6.474 1.00 35.23 N ATOM 2125 CA LEU A 154 -0.780 -10.158 -5.231 1.00 40.55 C ATOM 2126 C LEU A 154 0.631 -9.646 -5.385 1.00 64.11 C ATOM 2127 O LEU A 154 0.950 -8.525 -4.972 1.00 13.42 O ATOM 2128 CB LEU A 154 -0.827 -11.182 -4.096 1.00 65.11 C ATOM 2129 CG LEU A 154 -2.193 -11.787 -3.793 1.00 74.35 C ATOM 2130 CD1 LEU A 154 -2.092 -12.774 -2.655 1.00 33.32 C ATOM 2131 CD2 LEU A 154 -3.186 -10.706 -3.453 1.00 53.45 C ATOM 0 H LEU A 154 -1.458 -11.749 -6.403 1.00 35.23 H new ATOM 0 HA LEU A 154 -1.434 -9.320 -4.990 1.00 40.55 H new ATOM 0 HB2 LEU A 154 -0.139 -11.992 -4.337 1.00 65.11 H new ATOM 0 HB3 LEU A 154 -0.454 -10.706 -3.189 1.00 65.11 H new ATOM 0 HG LEU A 154 -2.540 -12.312 -4.683 1.00 74.35 H new ATOM 0 HD11 LEU A 154 -3.076 -13.197 -2.452 1.00 33.32 H new ATOM 0 HD12 LEU A 154 -1.403 -13.574 -2.927 1.00 33.32 H new ATOM 0 HD13 LEU A 154 -1.724 -12.265 -1.764 1.00 33.32 H new ATOM 0 HD21 LEU A 154 -4.155 -11.156 -3.240 1.00 53.45 H new ATOM 0 HD22 LEU A 154 -2.840 -10.157 -2.577 1.00 53.45 H new ATOM 0 HD23 LEU A 154 -3.282 -10.022 -4.296 1.00 53.45 H new ATOM 2143 N LEU A 155 1.476 -10.454 -5.998 1.00 34.30 N ATOM 2144 CA LEU A 155 2.819 -10.107 -6.189 1.00 44.55 C ATOM 2145 C LEU A 155 2.937 -8.983 -7.220 1.00 33.21 C ATOM 2146 O LEU A 155 3.793 -8.113 -7.109 1.00 20.42 O ATOM 2147 CB LEU A 155 3.594 -11.340 -6.589 1.00 2.01 C ATOM 2148 CG LEU A 155 5.054 -11.125 -6.832 1.00 23.35 C ATOM 2149 CD1 LEU A 155 5.743 -10.555 -5.590 1.00 22.33 C ATOM 2150 CD2 LEU A 155 5.713 -12.397 -7.262 1.00 43.14 C ATOM 0 H LEU A 155 1.221 -11.369 -6.369 1.00 34.30 H new ATOM 0 HA LEU A 155 3.246 -9.726 -5.261 1.00 44.55 H new ATOM 0 HB2 LEU A 155 3.479 -12.091 -5.807 1.00 2.01 H new ATOM 0 HB3 LEU A 155 3.148 -11.752 -7.495 1.00 2.01 H new ATOM 0 HG LEU A 155 5.154 -10.396 -7.637 1.00 23.35 H new ATOM 0 HD11 LEU A 155 6.803 -10.409 -5.797 1.00 22.33 H new ATOM 0 HD12 LEU A 155 5.289 -9.599 -5.329 1.00 22.33 H new ATOM 0 HD13 LEU A 155 5.628 -11.250 -4.759 1.00 22.33 H new ATOM 0 HD21 LEU A 155 6.774 -12.217 -7.433 1.00 43.14 H new ATOM 0 HD22 LEU A 155 5.594 -13.150 -6.483 1.00 43.14 H new ATOM 0 HD23 LEU A 155 5.252 -12.752 -8.184 1.00 43.14 H new ATOM 2162 N GLN A 156 2.049 -8.984 -8.200 1.00 42.35 N ATOM 2163 CA GLN A 156 2.029 -7.913 -9.175 1.00 53.01 C ATOM 2164 C GLN A 156 1.539 -6.618 -8.541 1.00 13.21 C ATOM 2165 O GLN A 156 2.070 -5.563 -8.827 1.00 51.12 O ATOM 2166 CB GLN A 156 1.214 -8.270 -10.413 1.00 71.10 C ATOM 2167 CG GLN A 156 1.818 -9.398 -11.243 1.00 5.03 C ATOM 2168 CD GLN A 156 3.214 -9.075 -11.785 1.00 54.02 C ATOM 2169 OE1 GLN A 156 3.484 -7.812 -12.062 1.00 4.23 O flip ATOM 2170 NE2 GLN A 156 4.035 -9.963 -11.964 1.00 20.01 N flip ATOM 0 H GLN A 156 1.342 -9.706 -8.339 1.00 42.35 H new ATOM 0 HA GLN A 156 3.054 -7.763 -9.513 1.00 53.01 H new ATOM 0 HB2 GLN A 156 0.209 -8.557 -10.105 1.00 71.10 H new ATOM 0 HB3 GLN A 156 1.115 -7.383 -11.039 1.00 71.10 H new ATOM 0 HG2 GLN A 156 1.873 -10.299 -10.632 1.00 5.03 H new ATOM 0 HG3 GLN A 156 1.154 -9.620 -12.079 1.00 5.03 H new ATOM 0 HE21 GLN A 156 3.798 -10.930 -11.741 1.00 20.01 H new ATOM 0 HE22 GLN A 156 4.957 -9.737 -12.337 1.00 20.01 H new ATOM 2179 N PHE A 157 0.533 -6.722 -7.660 1.00 23.33 N ATOM 2180 CA PHE A 157 0.010 -5.566 -6.913 1.00 14.41 C ATOM 2181 C PHE A 157 1.148 -4.923 -6.138 1.00 10.23 C ATOM 2182 O PHE A 157 1.279 -3.699 -6.096 1.00 50.01 O ATOM 2183 CB PHE A 157 -1.128 -6.018 -5.960 1.00 44.21 C ATOM 2184 CG PHE A 157 -1.740 -4.919 -5.112 1.00 41.11 C ATOM 2185 CD1 PHE A 157 -2.521 -3.934 -5.691 1.00 15.41 C ATOM 2186 CD2 PHE A 157 -1.530 -4.878 -3.732 1.00 45.50 C ATOM 2187 CE1 PHE A 157 -3.084 -2.930 -4.927 1.00 1.25 C ATOM 2188 CE2 PHE A 157 -2.097 -3.868 -2.957 1.00 10.54 C ATOM 2189 CZ PHE A 157 -2.872 -2.897 -3.560 1.00 21.42 C ATOM 0 H PHE A 157 0.062 -7.601 -7.446 1.00 23.33 H new ATOM 0 HA PHE A 157 -0.406 -4.833 -7.605 1.00 14.41 H new ATOM 0 HB2 PHE A 157 -1.917 -6.476 -6.556 1.00 44.21 H new ATOM 0 HB3 PHE A 157 -0.739 -6.791 -5.297 1.00 44.21 H new ATOM 0 HD1 PHE A 157 -2.693 -3.950 -6.757 1.00 15.41 H new ATOM 0 HD2 PHE A 157 -0.922 -5.636 -3.261 1.00 45.50 H new ATOM 0 HE1 PHE A 157 -3.690 -2.170 -5.397 1.00 1.25 H new ATOM 0 HE2 PHE A 157 -1.931 -3.845 -1.890 1.00 10.54 H new ATOM 0 HZ PHE A 157 -3.313 -2.111 -2.964 1.00 21.42 H new ATOM 2199 N CYS A 158 1.979 -5.770 -5.563 1.00 11.04 N ATOM 2200 CA CYS A 158 3.169 -5.360 -4.860 1.00 31.15 C ATOM 2201 C CYS A 158 4.080 -4.527 -5.764 1.00 13.24 C ATOM 2202 O CYS A 158 4.491 -3.427 -5.392 1.00 44.12 O ATOM 2203 CB CYS A 158 3.905 -6.602 -4.348 1.00 75.14 C ATOM 2204 SG CYS A 158 5.521 -6.286 -3.632 1.00 2.32 S ATOM 0 H CYS A 158 1.839 -6.780 -5.574 1.00 11.04 H new ATOM 0 HA CYS A 158 2.884 -4.734 -4.014 1.00 31.15 H new ATOM 0 HB2 CYS A 158 3.282 -7.092 -3.599 1.00 75.14 H new ATOM 0 HB3 CYS A 158 4.021 -7.303 -5.174 1.00 75.14 H new ATOM 0 HG CYS A 158 5.389 -5.546 -2.571 1.00 2.32 H new ATOM 2210 N VAL A 159 4.365 -5.040 -6.950 1.00 14.44 N ATOM 2211 CA VAL A 159 5.238 -4.363 -7.909 1.00 0.15 C ATOM 2212 C VAL A 159 4.665 -3.002 -8.328 1.00 53.20 C ATOM 2213 O VAL A 159 5.391 -1.996 -8.363 1.00 22.40 O ATOM 2214 CB VAL A 159 5.483 -5.235 -9.173 1.00 15.44 C ATOM 2215 CG1 VAL A 159 6.385 -4.516 -10.165 1.00 63.24 C ATOM 2216 CG2 VAL A 159 6.087 -6.575 -8.790 1.00 54.30 C ATOM 0 H VAL A 159 4.001 -5.934 -7.279 1.00 14.44 H new ATOM 0 HA VAL A 159 6.191 -4.202 -7.404 1.00 0.15 H new ATOM 0 HB VAL A 159 4.519 -5.410 -9.651 1.00 15.44 H new ATOM 0 HG11 VAL A 159 6.540 -5.148 -11.040 1.00 63.24 H new ATOM 0 HG12 VAL A 159 5.916 -3.581 -10.471 1.00 63.24 H new ATOM 0 HG13 VAL A 159 7.346 -4.304 -9.696 1.00 63.24 H new ATOM 0 HG21 VAL A 159 6.251 -7.170 -9.688 1.00 54.30 H new ATOM 0 HG22 VAL A 159 7.038 -6.414 -8.283 1.00 54.30 H new ATOM 0 HG23 VAL A 159 5.406 -7.104 -8.123 1.00 54.30 H new ATOM 2226 N GLU A 160 3.368 -2.974 -8.600 1.00 65.52 N ATOM 2227 CA GLU A 160 2.694 -1.756 -9.061 1.00 33.10 C ATOM 2228 C GLU A 160 2.786 -0.674 -7.998 1.00 3.41 C ATOM 2229 O GLU A 160 3.137 0.480 -8.281 1.00 34.43 O ATOM 2230 CB GLU A 160 1.221 -2.037 -9.389 1.00 15.23 C ATOM 2231 CG GLU A 160 1.008 -3.176 -10.374 1.00 1.41 C ATOM 2232 CD GLU A 160 1.691 -2.973 -11.706 1.00 3.03 C ATOM 2233 OE1 GLU A 160 2.905 -3.169 -11.798 1.00 42.24 O ATOM 2234 OE2 GLU A 160 0.996 -2.670 -12.693 1.00 72.54 O ATOM 0 H GLU A 160 2.753 -3.783 -8.510 1.00 65.52 H new ATOM 0 HA GLU A 160 3.192 -1.414 -9.968 1.00 33.10 H new ATOM 0 HB2 GLU A 160 0.692 -2.268 -8.464 1.00 15.23 H new ATOM 0 HB3 GLU A 160 0.772 -1.131 -9.796 1.00 15.23 H new ATOM 0 HG2 GLU A 160 1.372 -4.101 -9.928 1.00 1.41 H new ATOM 0 HG3 GLU A 160 -0.062 -3.303 -10.541 1.00 1.41 H new ATOM 2241 N VAL A 161 2.498 -1.056 -6.765 1.00 64.52 N ATOM 2242 CA VAL A 161 2.562 -0.133 -5.657 1.00 1.31 C ATOM 2243 C VAL A 161 4.014 0.276 -5.377 1.00 50.53 C ATOM 2244 O VAL A 161 4.273 1.421 -5.039 1.00 63.52 O ATOM 2245 CB VAL A 161 1.884 -0.705 -4.381 1.00 12.31 C ATOM 2246 CG1 VAL A 161 2.008 0.260 -3.201 1.00 60.22 C ATOM 2247 CG2 VAL A 161 0.416 -1.002 -4.650 1.00 2.15 C ATOM 0 H VAL A 161 2.217 -2.003 -6.511 1.00 64.52 H new ATOM 0 HA VAL A 161 2.002 0.758 -5.941 1.00 1.31 H new ATOM 0 HB VAL A 161 2.399 -1.630 -4.121 1.00 12.31 H new ATOM 0 HG11 VAL A 161 1.523 -0.172 -2.325 1.00 60.22 H new ATOM 0 HG12 VAL A 161 3.062 0.435 -2.983 1.00 60.22 H new ATOM 0 HG13 VAL A 161 1.528 1.206 -3.452 1.00 60.22 H new ATOM 0 HG21 VAL A 161 -0.046 -1.402 -3.747 1.00 2.15 H new ATOM 0 HG22 VAL A 161 -0.093 -0.084 -4.942 1.00 2.15 H new ATOM 0 HG23 VAL A 161 0.334 -1.733 -5.454 1.00 2.15 H new ATOM 2257 N SER A 162 4.957 -0.652 -5.562 1.00 43.52 N ATOM 2258 CA SER A 162 6.376 -0.351 -5.370 1.00 53.44 C ATOM 2259 C SER A 162 6.828 0.759 -6.307 1.00 71.01 C ATOM 2260 O SER A 162 7.530 1.668 -5.896 1.00 12.10 O ATOM 2261 CB SER A 162 7.227 -1.593 -5.568 1.00 32.44 C ATOM 2262 OG SER A 162 6.895 -2.584 -4.615 1.00 14.22 O ATOM 0 H SER A 162 4.764 -1.613 -5.843 1.00 43.52 H new ATOM 0 HA SER A 162 6.507 -0.007 -4.344 1.00 53.44 H new ATOM 0 HB2 SER A 162 7.079 -1.985 -6.574 1.00 32.44 H new ATOM 0 HB3 SER A 162 8.282 -1.335 -5.479 1.00 32.44 H new ATOM 0 HG SER A 162 6.122 -3.096 -4.932 1.00 14.22 H new ATOM 2268 N LYS A 163 6.390 0.688 -7.560 1.00 64.03 N ATOM 2269 CA LYS A 163 6.698 1.718 -8.545 1.00 45.20 C ATOM 2270 C LYS A 163 6.124 3.040 -8.093 1.00 24.04 C ATOM 2271 O LYS A 163 6.794 4.076 -8.126 1.00 62.34 O ATOM 2272 CB LYS A 163 6.073 1.369 -9.897 1.00 53.12 C ATOM 2273 CG LYS A 163 6.607 0.120 -10.556 1.00 4.32 C ATOM 2274 CD LYS A 163 5.825 -0.178 -11.822 1.00 41.31 C ATOM 2275 CE LYS A 163 6.396 -1.364 -12.568 1.00 14.02 C ATOM 2276 NZ LYS A 163 7.764 -1.097 -13.065 1.00 11.34 N ATOM 0 H LYS A 163 5.818 -0.077 -7.918 1.00 64.03 H new ATOM 0 HA LYS A 163 7.782 1.782 -8.644 1.00 45.20 H new ATOM 0 HB2 LYS A 163 4.997 1.256 -9.762 1.00 53.12 H new ATOM 0 HB3 LYS A 163 6.223 2.209 -10.575 1.00 53.12 H new ATOM 0 HG2 LYS A 163 7.663 0.248 -10.794 1.00 4.32 H new ATOM 0 HG3 LYS A 163 6.535 -0.722 -9.868 1.00 4.32 H new ATOM 0 HD2 LYS A 163 4.783 -0.375 -11.568 1.00 41.31 H new ATOM 0 HD3 LYS A 163 5.835 0.698 -12.470 1.00 41.31 H new ATOM 0 HE2 LYS A 163 6.412 -2.233 -11.910 1.00 14.02 H new ATOM 0 HE3 LYS A 163 5.747 -1.612 -13.408 1.00 14.02 H new ATOM 0 HZ1 LYS A 163 8.028 -1.823 -13.761 1.00 11.34 H new ATOM 0 HZ2 LYS A 163 7.793 -0.159 -13.514 1.00 11.34 H new ATOM 0 HZ3 LYS A 163 8.433 -1.121 -12.269 1.00 11.34 H new ATOM 2290 N GLU A 164 4.876 2.986 -7.668 1.00 43.25 N ATOM 2291 CA GLU A 164 4.138 4.152 -7.254 1.00 13.33 C ATOM 2292 C GLU A 164 4.805 4.823 -6.059 1.00 0.02 C ATOM 2293 O GLU A 164 5.112 6.003 -6.099 1.00 42.43 O ATOM 2294 CB GLU A 164 2.717 3.737 -6.862 1.00 72.20 C ATOM 2295 CG GLU A 164 1.782 4.894 -6.565 1.00 24.02 C ATOM 2296 CD GLU A 164 1.526 5.758 -7.779 1.00 45.44 C ATOM 2297 OE1 GLU A 164 0.571 5.468 -8.536 1.00 22.33 O ATOM 2298 OE2 GLU A 164 2.261 6.738 -8.001 1.00 11.13 O ATOM 0 H GLU A 164 4.345 2.118 -7.602 1.00 43.25 H new ATOM 0 HA GLU A 164 4.114 4.858 -8.084 1.00 13.33 H new ATOM 0 HB2 GLU A 164 2.291 3.140 -7.669 1.00 72.20 H new ATOM 0 HB3 GLU A 164 2.769 3.094 -5.983 1.00 72.20 H new ATOM 0 HG2 GLU A 164 0.834 4.505 -6.194 1.00 24.02 H new ATOM 0 HG3 GLU A 164 2.208 5.507 -5.770 1.00 24.02 H new ATOM 2305 N ILE A 165 5.076 4.045 -5.025 1.00 54.44 N ATOM 2306 CA ILE A 165 5.587 4.581 -3.787 1.00 15.23 C ATOM 2307 C ILE A 165 7.032 5.064 -3.908 1.00 1.31 C ATOM 2308 O ILE A 165 7.368 6.146 -3.429 1.00 34.13 O ATOM 2309 CB ILE A 165 5.412 3.577 -2.586 1.00 74.15 C ATOM 2310 CG1 ILE A 165 5.805 4.218 -1.264 1.00 34.12 C ATOM 2311 CG2 ILE A 165 6.204 2.291 -2.792 1.00 23.25 C ATOM 2312 CD1 ILE A 165 5.034 5.471 -0.958 1.00 41.10 C ATOM 0 H ILE A 165 4.947 3.033 -5.025 1.00 54.44 H new ATOM 0 HA ILE A 165 4.979 5.458 -3.566 1.00 15.23 H new ATOM 0 HB ILE A 165 4.353 3.321 -2.552 1.00 74.15 H new ATOM 0 HG12 ILE A 165 5.650 3.499 -0.459 1.00 34.12 H new ATOM 0 HG13 ILE A 165 6.870 4.451 -1.283 1.00 34.12 H new ATOM 0 HG21 ILE A 165 6.053 1.630 -1.939 1.00 23.25 H new ATOM 0 HG22 ILE A 165 5.863 1.795 -3.701 1.00 23.25 H new ATOM 0 HG23 ILE A 165 7.264 2.527 -2.884 1.00 23.25 H new ATOM 0 HD11 ILE A 165 5.364 5.877 -0.002 1.00 41.10 H new ATOM 0 HD12 ILE A 165 5.208 6.206 -1.743 1.00 41.10 H new ATOM 0 HD13 ILE A 165 3.970 5.240 -0.907 1.00 41.10 H new ATOM 2324 N ASP A 166 7.848 4.285 -4.569 1.00 11.41 N ATOM 2325 CA ASP A 166 9.283 4.598 -4.728 1.00 13.44 C ATOM 2326 C ASP A 166 9.492 5.927 -5.437 1.00 24.32 C ATOM 2327 O ASP A 166 10.184 6.814 -4.926 1.00 41.44 O ATOM 2328 CB ASP A 166 10.001 3.471 -5.467 1.00 12.12 C ATOM 2329 CG ASP A 166 11.469 3.745 -5.698 1.00 14.21 C ATOM 2330 OD1 ASP A 166 12.211 3.879 -4.720 1.00 63.10 O ATOM 2331 OD2 ASP A 166 11.898 3.763 -6.871 1.00 53.21 O ATOM 0 H ASP A 166 7.559 3.416 -5.018 1.00 11.41 H new ATOM 0 HA ASP A 166 9.714 4.688 -3.731 1.00 13.44 H new ATOM 0 HB2 ASP A 166 9.897 2.548 -4.897 1.00 12.12 H new ATOM 0 HB3 ASP A 166 9.514 3.308 -6.428 1.00 12.12 H new ATOM 2336 N GLU A 167 8.848 6.091 -6.581 1.00 42.12 N ATOM 2337 CA GLU A 167 8.959 7.328 -7.339 1.00 25.41 C ATOM 2338 C GLU A 167 8.280 8.483 -6.613 1.00 41.11 C ATOM 2339 O GLU A 167 8.706 9.637 -6.724 1.00 45.54 O ATOM 2340 CB GLU A 167 8.405 7.166 -8.758 1.00 42.33 C ATOM 2341 CG GLU A 167 9.196 6.189 -9.610 1.00 1.40 C ATOM 2342 CD GLU A 167 8.655 6.045 -11.013 1.00 44.24 C ATOM 2343 OE1 GLU A 167 8.877 6.956 -11.842 1.00 62.01 O ATOM 2344 OE2 GLU A 167 8.023 5.014 -11.316 1.00 33.30 O ATOM 0 H GLU A 167 8.245 5.386 -7.005 1.00 42.12 H new ATOM 0 HA GLU A 167 10.019 7.566 -7.424 1.00 25.41 H new ATOM 0 HB2 GLU A 167 7.370 6.829 -8.699 1.00 42.33 H new ATOM 0 HB3 GLU A 167 8.396 8.139 -9.249 1.00 42.33 H new ATOM 0 HG2 GLU A 167 10.234 6.519 -9.660 1.00 1.40 H new ATOM 0 HG3 GLU A 167 9.195 5.212 -9.126 1.00 1.40 H new ATOM 2351 N HIS A 168 7.235 8.166 -5.875 1.00 50.44 N ATOM 2352 CA HIS A 168 6.486 9.155 -5.116 1.00 54.24 C ATOM 2353 C HIS A 168 7.348 9.744 -3.998 1.00 52.40 C ATOM 2354 O HIS A 168 7.379 10.948 -3.801 1.00 62.11 O ATOM 2355 CB HIS A 168 5.217 8.515 -4.531 1.00 42.40 C ATOM 2356 CG HIS A 168 4.301 9.450 -3.812 1.00 54.54 C ATOM 2357 ND1 HIS A 168 3.203 10.007 -4.399 1.00 73.14 N ATOM 2358 CD2 HIS A 168 4.319 9.912 -2.549 1.00 74.25 C ATOM 2359 CE1 HIS A 168 2.587 10.767 -3.544 1.00 61.30 C ATOM 2360 NE2 HIS A 168 3.245 10.735 -2.403 1.00 25.35 N ATOM 0 H HIS A 168 6.878 7.215 -5.783 1.00 50.44 H new ATOM 0 HA HIS A 168 6.198 9.964 -5.787 1.00 54.24 H new ATOM 0 HB2 HIS A 168 4.663 8.042 -5.341 1.00 42.40 H new ATOM 0 HB3 HIS A 168 5.514 7.723 -3.843 1.00 42.40 H new ATOM 0 HD2 HIS A 168 5.050 9.674 -1.791 1.00 74.25 H new ATOM 0 HE1 HIS A 168 1.686 11.331 -3.736 1.00 61.30 H new ATOM 0 HE2 HIS A 168 2.992 11.241 -1.554 1.00 25.35 H new ATOM 2369 N LEU A 169 8.052 8.891 -3.278 1.00 52.12 N ATOM 2370 CA LEU A 169 8.875 9.346 -2.161 1.00 32.23 C ATOM 2371 C LEU A 169 10.027 10.208 -2.632 1.00 54.42 C ATOM 2372 O LEU A 169 10.423 11.136 -1.955 1.00 43.31 O ATOM 2373 CB LEU A 169 9.384 8.175 -1.324 1.00 33.40 C ATOM 2374 CG LEU A 169 8.321 7.314 -0.644 1.00 51.21 C ATOM 2375 CD1 LEU A 169 8.968 6.171 0.117 1.00 55.43 C ATOM 2376 CD2 LEU A 169 7.467 8.154 0.291 1.00 41.23 C ATOM 0 H LEU A 169 8.074 7.884 -3.441 1.00 52.12 H new ATOM 0 HA LEU A 169 8.236 9.959 -1.525 1.00 32.23 H new ATOM 0 HB2 LEU A 169 9.985 7.532 -1.966 1.00 33.40 H new ATOM 0 HB3 LEU A 169 10.049 8.568 -0.555 1.00 33.40 H new ATOM 0 HG LEU A 169 7.676 6.896 -1.417 1.00 51.21 H new ATOM 0 HD11 LEU A 169 8.195 5.569 0.595 1.00 55.43 H new ATOM 0 HD12 LEU A 169 9.537 5.549 -0.574 1.00 55.43 H new ATOM 0 HD13 LEU A 169 9.637 6.573 0.878 1.00 55.43 H new ATOM 0 HD21 LEU A 169 6.716 7.522 0.765 1.00 41.23 H new ATOM 0 HD22 LEU A 169 8.100 8.603 1.057 1.00 41.23 H new ATOM 0 HD23 LEU A 169 6.972 8.941 -0.277 1.00 41.23 H new ATOM 2388 N LEU A 170 10.541 9.915 -3.808 1.00 73.32 N ATOM 2389 CA LEU A 170 11.638 10.691 -4.389 1.00 24.51 C ATOM 2390 C LEU A 170 11.180 12.105 -4.745 1.00 64.51 C ATOM 2391 O LEU A 170 11.989 13.026 -4.876 1.00 0.43 O ATOM 2392 CB LEU A 170 12.175 9.993 -5.636 1.00 54.04 C ATOM 2393 CG LEU A 170 12.757 8.596 -5.429 1.00 23.32 C ATOM 2394 CD1 LEU A 170 13.188 8.007 -6.757 1.00 11.41 C ATOM 2395 CD2 LEU A 170 13.933 8.648 -4.463 1.00 73.41 C ATOM 0 H LEU A 170 10.220 9.142 -4.390 1.00 73.32 H new ATOM 0 HA LEU A 170 12.432 10.762 -3.646 1.00 24.51 H new ATOM 0 HB2 LEU A 170 11.367 9.923 -6.364 1.00 54.04 H new ATOM 0 HB3 LEU A 170 12.947 10.624 -6.076 1.00 54.04 H new ATOM 0 HG LEU A 170 11.986 7.957 -4.998 1.00 23.32 H new ATOM 0 HD11 LEU A 170 13.601 7.011 -6.596 1.00 11.41 H new ATOM 0 HD12 LEU A 170 12.327 7.940 -7.422 1.00 11.41 H new ATOM 0 HD13 LEU A 170 13.946 8.646 -7.209 1.00 11.41 H new ATOM 0 HD21 LEU A 170 14.336 7.645 -4.326 1.00 73.41 H new ATOM 0 HD22 LEU A 170 14.708 9.299 -4.868 1.00 73.41 H new ATOM 0 HD23 LEU A 170 13.598 9.038 -3.502 1.00 73.41 H new ATOM 2407 N ALA A 171 9.897 12.267 -4.877 1.00 63.15 N ATOM 2408 CA ALA A 171 9.325 13.533 -5.252 1.00 12.22 C ATOM 2409 C ALA A 171 9.022 14.440 -4.032 1.00 41.24 C ATOM 2410 O ALA A 171 8.906 15.664 -4.182 1.00 74.24 O ATOM 2411 CB ALA A 171 8.090 13.305 -6.100 1.00 15.44 C ATOM 0 H ALA A 171 9.213 11.525 -4.728 1.00 63.15 H new ATOM 0 HA ALA A 171 10.066 14.071 -5.842 1.00 12.22 H new ATOM 0 HB1 ALA A 171 7.660 14.266 -6.382 1.00 15.44 H new ATOM 0 HB2 ALA A 171 8.363 12.752 -6.999 1.00 15.44 H new ATOM 0 HB3 ALA A 171 7.358 12.733 -5.530 1.00 15.44 H new ATOM 2417 N GLU A 172 8.902 13.861 -2.845 1.00 22.32 N ATOM 2418 CA GLU A 172 8.630 14.652 -1.637 1.00 34.01 C ATOM 2419 C GLU A 172 9.732 14.543 -0.585 1.00 64.13 C ATOM 2420 O GLU A 172 10.774 13.926 -0.828 1.00 60.30 O ATOM 2421 CB GLU A 172 7.200 14.413 -1.073 1.00 53.22 C ATOM 2422 CG GLU A 172 6.764 12.960 -0.927 1.00 21.14 C ATOM 2423 CD GLU A 172 5.276 12.840 -0.600 1.00 41.03 C ATOM 2424 OE1 GLU A 172 4.436 12.943 -1.541 1.00 11.05 O ATOM 2425 OE2 GLU A 172 4.921 12.608 0.552 1.00 1.20 O ATOM 0 H GLU A 172 8.986 12.857 -2.686 1.00 22.32 H new ATOM 0 HA GLU A 172 8.647 15.696 -1.950 1.00 34.01 H new ATOM 0 HB2 GLU A 172 7.134 14.889 -0.095 1.00 53.22 H new ATOM 0 HB3 GLU A 172 6.487 14.920 -1.723 1.00 53.22 H new ATOM 0 HG2 GLU A 172 6.977 12.423 -1.851 1.00 21.14 H new ATOM 0 HG3 GLU A 172 7.348 12.483 -0.140 1.00 21.14 H new ATOM 2432 N GLU A 173 9.508 15.191 0.540 1.00 64.44 N ATOM 2433 CA GLU A 173 10.459 15.291 1.645 1.00 13.03 C ATOM 2434 C GLU A 173 10.800 13.941 2.307 1.00 73.23 C ATOM 2435 O GLU A 173 11.933 13.435 2.073 1.00 38.01 O ATOM 2436 CB GLU A 173 9.978 16.351 2.653 1.00 52.22 C ATOM 2437 CG GLU A 173 8.559 16.135 3.174 1.00 70.41 C ATOM 2438 CD GLU A 173 8.065 17.301 3.981 1.00 25.53 C ATOM 2439 OE1 GLU A 173 7.507 18.251 3.384 1.00 4.34 O ATOM 2440 OE2 GLU A 173 8.229 17.308 5.222 1.00 43.04 O ATOM 2441 OXT GLU A 173 9.971 13.390 3.024 1.00 38.01 O ATOM 0 H GLU A 173 8.632 15.681 0.723 1.00 64.44 H new ATOM 0 HA GLU A 173 11.410 15.619 1.225 1.00 13.03 H new ATOM 0 HB2 GLU A 173 10.664 16.365 3.500 1.00 52.22 H new ATOM 0 HB3 GLU A 173 10.033 17.332 2.182 1.00 52.22 H new ATOM 0 HG2 GLU A 173 7.887 15.968 2.332 1.00 70.41 H new ATOM 0 HG3 GLU A 173 8.533 15.234 3.787 1.00 70.41 H new TER 2448 GLU A 173