USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 954 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 98 GLN : amide:sc= 0.396 K(o=1,f=-17!) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -118:sc= 0.642 (180deg=-0.165) USER MOD Set 2.1: A 45 ASN : amide:sc= -3.7! C(o=-2.5!,f=-3.6!) USER MOD Set 2.2: A 49 ASN : amide:sc= 1.15 K(o=-2.5,f=-3.7) USER MOD Set 3.1: A 32 SER OG : rot -134:sc= 0.816 USER MOD Set 3.2: A 38 ASN : amide:sc= -1.21! C(o=-0.39!,f=-9.4!) USER MOD Set 4.1: A 13 GLN : amide:sc= -0.528 X(o=-1,f=-1.5) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -0.514 X(o=-1,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.114 (180deg=-0.821) USER MOD Single : A 4 TYR OH : rot 96:sc= 1.06 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0188 (180deg=-0.296) USER MOD Single : A 9 HIS : no HD1:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0.654 (180deg=0.509) USER MOD Single : A 18 CYS SG : rot 158:sc= 0.00388 USER MOD Single : A 20 SER OG : rot 91:sc= 1.14 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0249 USER MOD Single : A 28 THR OG1 : rot 79:sc= -2.17! USER MOD Single : A 33 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-3.7!) USER MOD Single : A 34 HIS : no HE2:sc= 0.171 K(o=0.17,f=-0.67) USER MOD Single : A 41 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 42 SER OG : rot -72:sc= -0.042 USER MOD Single : A 47 GLN : amide:sc= 0.466 K(o=0.47,f=-0.07) USER MOD Single : A 57 SER OG : rot -76:sc= 1.06 USER MOD Single : A 60 MET CE :methyl -176:sc= -1.84 (180deg=-1.85!) USER MOD Single : A 61 SER OG : rot 79:sc= 1.36 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.09) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0.817 (180deg=0.508) USER MOD Single : A 66 TYR OH : rot -114:sc= 1.31 USER MOD Single : A 73 SER OG : rot -98:sc= 0.337 USER MOD Single : A 79 TYR OH : rot -63:sc= -0.215! USER MOD Single : A 83 THR OG1 : rot 87:sc= -0.32! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 69:sc= 0.924 USER MOD Single : A 88 SER OG : rot 99:sc= 1.28 USER MOD Single : A 89 SER OG : rot 138:sc= 1.07 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0.606 K(o=0.61,f=-0.092) USER MOD Single : A 101 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.54) USER MOD Single : A 103 THR OG1 : rot 119:sc= 1.14 USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0.643 (180deg=0.302) USER MOD Single : A 112 SER OG : rot 75:sc= 1.08 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 116:sc= 0.703 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 166:sc= -0.461 (180deg=-1.28) USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.113) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.483 -8.077 -2.214 1.00 0.00 N ATOM 2 CA MET A 1 -19.755 -9.382 -2.277 1.00 0.00 C ATOM 3 C MET A 1 -18.482 -9.307 -1.422 1.00 0.00 C ATOM 4 O MET A 1 -17.617 -8.479 -1.700 1.00 0.00 O ATOM 5 CB MET A 1 -19.365 -9.689 -3.753 1.00 0.00 C ATOM 6 CG MET A 1 -20.455 -9.424 -4.796 1.00 0.00 C ATOM 7 SD MET A 1 -20.729 -10.818 -5.902 1.00 0.00 S ATOM 8 CE MET A 1 -22.476 -10.626 -6.266 1.00 0.00 C ATOM 0 H1 MET A 1 -21.504 -8.243 -2.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.304 -7.624 -1.295 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.148 -7.455 -2.978 1.00 0.00 H new ATOM 0 HA MET A 1 -20.402 -10.172 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.489 -9.093 -4.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.069 -10.736 -3.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.388 -9.185 -4.285 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.181 -8.549 -5.385 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.796 -11.419 -6.942 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.049 -10.685 -5.341 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.645 -9.657 -6.736 1.00 0.00 H new ATOM 18 N ASP A 2 -18.372 -10.147 -0.375 1.00 0.00 N ATOM 19 CA ASP A 2 -17.196 -10.118 0.513 1.00 0.00 C ATOM 20 C ASP A 2 -16.561 -11.498 0.677 1.00 0.00 C ATOM 21 O ASP A 2 -16.803 -12.197 1.682 1.00 0.00 O ATOM 22 CB ASP A 2 -17.559 -9.534 1.901 1.00 0.00 C ATOM 23 CG ASP A 2 -17.015 -8.154 2.151 1.00 0.00 C ATOM 24 OD1 ASP A 2 -16.843 -7.394 1.202 1.00 0.00 O ATOM 25 OD2 ASP A 2 -16.813 -7.807 3.315 1.00 0.00 O ATOM 0 H ASP A 2 -19.073 -10.845 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.462 -9.468 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.644 -9.508 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.185 -10.205 2.674 1.00 0.00 H new ATOM 30 N GLU A 3 -15.711 -11.868 -0.270 1.00 0.00 N ATOM 31 CA GLU A 3 -14.974 -13.132 -0.207 1.00 0.00 C ATOM 32 C GLU A 3 -13.473 -12.829 -0.038 1.00 0.00 C ATOM 33 O GLU A 3 -12.697 -13.006 -0.956 1.00 0.00 O ATOM 34 CB GLU A 3 -15.221 -13.986 -1.486 1.00 0.00 C ATOM 35 CG GLU A 3 -16.609 -13.838 -2.108 1.00 0.00 C ATOM 36 CD GLU A 3 -16.836 -14.800 -3.229 1.00 0.00 C ATOM 37 OE1 GLU A 3 -17.205 -15.940 -2.975 1.00 0.00 O ATOM 38 OE2 GLU A 3 -16.653 -14.411 -4.379 1.00 0.00 O ATOM 0 H GLU A 3 -15.510 -11.309 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.328 -13.711 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.475 -13.717 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.061 -15.036 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.367 -13.994 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.733 -12.820 -2.476 1.00 0.00 H new ATOM 45 N TYR A 4 -13.096 -12.272 1.116 1.00 0.00 N ATOM 46 CA TYR A 4 -11.702 -11.844 1.367 1.00 0.00 C ATOM 47 C TYR A 4 -10.667 -12.959 1.139 1.00 0.00 C ATOM 48 O TYR A 4 -9.575 -12.693 0.652 1.00 0.00 O ATOM 49 CB TYR A 4 -11.547 -11.285 2.789 1.00 0.00 C ATOM 50 CG TYR A 4 -12.330 -10.011 3.073 1.00 0.00 C ATOM 51 CD1 TYR A 4 -12.488 -9.024 2.107 1.00 0.00 C ATOM 52 CD2 TYR A 4 -12.900 -9.797 4.319 1.00 0.00 C ATOM 53 CE1 TYR A 4 -13.190 -7.870 2.374 1.00 0.00 C ATOM 54 CE2 TYR A 4 -13.602 -8.646 4.591 1.00 0.00 C ATOM 55 CZ TYR A 4 -13.745 -7.686 3.615 1.00 0.00 C ATOM 56 OH TYR A 4 -14.450 -6.546 3.882 1.00 0.00 O ATOM 0 H TYR A 4 -13.731 -12.103 1.896 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.499 -11.062 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.859 -12.051 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.490 -11.092 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -12.052 -9.165 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.791 -10.547 5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.303 -7.114 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.040 -8.496 5.567 1.00 0.00 H new ATOM 0 HH TYR A 4 -15.406 -6.714 3.750 1.00 0.00 H new ATOM 66 N SER A 5 -10.975 -14.165 1.606 1.00 0.00 N ATOM 67 CA SER A 5 -10.030 -15.292 1.558 1.00 0.00 C ATOM 68 C SER A 5 -9.590 -15.709 0.121 1.00 0.00 C ATOM 69 O SER A 5 -8.379 -15.869 -0.122 1.00 0.00 O ATOM 70 CB SER A 5 -10.584 -16.480 2.351 1.00 0.00 C ATOM 71 OG SER A 5 -11.344 -16.014 3.489 1.00 0.00 O ATOM 0 H SER A 5 -11.876 -14.395 2.026 1.00 0.00 H new ATOM 0 HA SER A 5 -9.113 -14.940 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.217 -17.091 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.764 -17.115 2.688 1.00 0.00 H new ATOM 0 HG SER A 5 -11.694 -16.783 3.986 1.00 0.00 H new ATOM 77 N PRO A 6 -10.549 -15.988 -0.824 1.00 0.00 N ATOM 78 CA PRO A 6 -10.210 -16.455 -2.183 1.00 0.00 C ATOM 79 C PRO A 6 -9.238 -15.518 -2.913 1.00 0.00 C ATOM 80 O PRO A 6 -9.541 -14.338 -3.124 1.00 0.00 O ATOM 81 CB PRO A 6 -11.564 -16.502 -2.919 1.00 0.00 C ATOM 82 CG PRO A 6 -12.530 -15.799 -2.025 1.00 0.00 C ATOM 83 CD PRO A 6 -12.007 -15.958 -0.626 1.00 0.00 C ATOM 0 HA PRO A 6 -9.700 -17.418 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.500 -16.011 -3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.876 -17.530 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.610 -14.745 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.528 -16.228 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.311 -15.131 0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.371 -16.874 -0.160 1.00 0.00 H new ATOM 91 N LYS A 7 -8.087 -16.073 -3.317 1.00 0.00 N ATOM 92 CA LYS A 7 -7.023 -15.343 -4.042 1.00 0.00 C ATOM 93 C LYS A 7 -7.555 -14.290 -5.014 1.00 0.00 C ATOM 94 O LYS A 7 -7.082 -13.166 -5.008 1.00 0.00 O ATOM 95 CB LYS A 7 -6.106 -16.312 -4.790 1.00 0.00 C ATOM 96 CG LYS A 7 -5.126 -17.051 -3.898 1.00 0.00 C ATOM 97 CD LYS A 7 -4.246 -17.997 -4.703 1.00 0.00 C ATOM 98 CE LYS A 7 -4.560 -19.463 -4.406 1.00 0.00 C ATOM 99 NZ LYS A 7 -6.004 -19.788 -4.566 1.00 0.00 N ATOM 0 H LYS A 7 -7.860 -17.053 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.458 -14.814 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.720 -17.041 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.547 -15.758 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.501 -16.332 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.673 -17.615 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.385 -17.805 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.198 -17.798 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.974 -20.097 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.250 -19.697 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.113 -20.807 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.516 -19.528 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.393 -19.256 -5.371 1.00 0.00 H new ATOM 113 N ARG A 8 -8.508 -14.657 -5.888 1.00 0.00 N ATOM 114 CA ARG A 8 -9.015 -13.680 -6.859 1.00 0.00 C ATOM 115 C ARG A 8 -9.520 -12.398 -6.204 1.00 0.00 C ATOM 116 O ARG A 8 -9.274 -11.291 -6.710 1.00 0.00 O ATOM 117 CB ARG A 8 -10.021 -14.259 -7.816 1.00 0.00 C ATOM 118 CG ARG A 8 -11.303 -14.722 -7.223 1.00 0.00 C ATOM 119 CD ARG A 8 -11.891 -15.775 -8.121 1.00 0.00 C ATOM 120 NE ARG A 8 -11.775 -15.428 -9.555 1.00 0.00 N ATOM 121 CZ ARG A 8 -12.575 -14.581 -10.231 1.00 0.00 C ATOM 122 NH1 ARG A 8 -13.674 -14.109 -9.659 1.00 0.00 N ATOM 123 NH2 ARG A 8 -12.280 -14.250 -11.485 1.00 0.00 N ATOM 0 H ARG A 8 -8.927 -15.585 -5.942 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.150 -13.402 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.246 -13.507 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.558 -15.101 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.135 -15.126 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.995 -13.886 -7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.388 -16.725 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.942 -15.917 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.020 -15.871 -10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.913 -14.387 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.280 -13.468 -10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.449 -14.637 -11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.884 -13.609 -11.999 1.00 0.00 H new ATOM 137 N HIS A 9 -10.133 -12.537 -5.028 1.00 0.00 N ATOM 138 CA HIS A 9 -10.555 -11.386 -4.234 1.00 0.00 C ATOM 139 C HIS A 9 -9.372 -10.889 -3.420 1.00 0.00 C ATOM 140 O HIS A 9 -9.134 -9.702 -3.344 1.00 0.00 O ATOM 141 CB HIS A 9 -11.678 -11.758 -3.270 1.00 0.00 C ATOM 142 CG HIS A 9 -13.024 -11.893 -3.891 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.965 -10.883 -3.886 1.00 0.00 N ATOM 144 CD2 HIS A 9 -13.607 -12.946 -4.496 1.00 0.00 C ATOM 145 CE1 HIS A 9 -15.072 -11.318 -4.461 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.882 -12.572 -4.841 1.00 0.00 N ATOM 0 H HIS A 9 -10.348 -13.439 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.917 -10.616 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.422 -12.700 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.730 -11.001 -2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.154 -13.909 -4.677 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.979 -10.747 -4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.568 -13.162 -5.312 1.00 0.00 H new ATOM 155 N ASP A 10 -8.647 -11.833 -2.806 1.00 0.00 N ATOM 156 CA ASP A 10 -7.466 -11.547 -1.964 1.00 0.00 C ATOM 157 C ASP A 10 -6.437 -10.670 -2.714 1.00 0.00 C ATOM 158 O ASP A 10 -6.065 -9.583 -2.237 1.00 0.00 O ATOM 159 CB ASP A 10 -6.876 -12.903 -1.421 1.00 0.00 C ATOM 160 CG ASP A 10 -5.368 -13.024 -1.347 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.717 -13.107 -2.388 1.00 0.00 O ATOM 162 OD2 ASP A 10 -4.836 -13.131 -0.218 1.00 0.00 O ATOM 0 H ASP A 10 -8.861 -12.828 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.760 -10.953 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.277 -13.069 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.249 -13.710 -2.052 1.00 0.00 H new ATOM 167 N VAL A 11 -6.055 -11.087 -3.906 1.00 0.00 N ATOM 168 CA VAL A 11 -5.152 -10.300 -4.740 1.00 0.00 C ATOM 169 C VAL A 11 -5.821 -8.974 -5.118 1.00 0.00 C ATOM 170 O VAL A 11 -5.220 -7.899 -4.952 1.00 0.00 O ATOM 171 CB VAL A 11 -4.719 -11.050 -6.038 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.550 -10.339 -6.695 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.352 -12.498 -5.745 1.00 0.00 C ATOM 0 H VAL A 11 -6.354 -11.968 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.251 -10.121 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.568 -11.048 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.260 -10.875 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.842 -9.321 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.707 -10.310 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.055 -12.992 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.525 -12.527 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.213 -13.013 -5.319 1.00 0.00 H new ATOM 183 N ALA A 12 -7.093 -9.049 -5.580 1.00 0.00 N ATOM 184 CA ALA A 12 -7.868 -7.843 -5.920 1.00 0.00 C ATOM 185 C ALA A 12 -7.855 -6.879 -4.743 1.00 0.00 C ATOM 186 O ALA A 12 -7.528 -5.706 -4.902 1.00 0.00 O ATOM 187 CB ALA A 12 -9.304 -8.194 -6.301 1.00 0.00 C ATOM 0 H ALA A 12 -7.595 -9.925 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.403 -7.368 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.849 -7.282 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.299 -8.857 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.791 -8.693 -5.463 1.00 0.00 H new ATOM 193 N GLN A 13 -8.147 -7.409 -3.557 1.00 0.00 N ATOM 194 CA GLN A 13 -8.097 -6.659 -2.315 1.00 0.00 C ATOM 195 C GLN A 13 -6.743 -5.981 -2.173 1.00 0.00 C ATOM 196 O GLN A 13 -6.672 -4.770 -1.964 1.00 0.00 O ATOM 197 CB GLN A 13 -8.322 -7.611 -1.130 1.00 0.00 C ATOM 198 CG GLN A 13 -9.773 -7.788 -0.750 1.00 0.00 C ATOM 199 CD GLN A 13 -10.049 -7.356 0.676 1.00 0.00 C ATOM 200 OE1 GLN A 13 -10.811 -6.418 0.910 1.00 0.00 O ATOM 201 NE2 GLN A 13 -9.421 -8.012 1.636 1.00 0.00 N ATOM 0 H GLN A 13 -8.427 -8.382 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.878 -5.899 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.900 -8.586 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.774 -7.235 -0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.398 -7.209 -1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.053 -8.834 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.797 -8.784 1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.560 -7.746 2.611 1.00 0.00 H new ATOM 210 N LEU A 14 -5.665 -6.770 -2.310 1.00 0.00 N ATOM 211 CA LEU A 14 -4.305 -6.240 -2.206 1.00 0.00 C ATOM 212 C LEU A 14 -4.089 -5.086 -3.176 1.00 0.00 C ATOM 213 O LEU A 14 -3.732 -3.973 -2.753 1.00 0.00 O ATOM 214 CB LEU A 14 -3.246 -7.330 -2.451 1.00 0.00 C ATOM 215 CG LEU A 14 -2.072 -7.376 -1.454 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.588 -5.980 -1.085 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.470 -8.132 -0.215 1.00 0.00 C ATOM 0 H LEU A 14 -5.713 -7.772 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.188 -5.873 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.744 -8.300 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.839 -7.193 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.246 -7.894 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.760 -6.056 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.253 -5.462 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.404 -5.421 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.632 -8.157 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.319 -7.636 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.749 -9.151 -0.484 1.00 0.00 H new ATOM 229 N LYS A 15 -4.307 -5.345 -4.477 1.00 0.00 N ATOM 230 CA LYS A 15 -4.118 -4.301 -5.485 1.00 0.00 C ATOM 231 C LYS A 15 -5.015 -3.112 -5.209 1.00 0.00 C ATOM 232 O LYS A 15 -4.528 -2.000 -5.064 1.00 0.00 O ATOM 233 CB LYS A 15 -4.301 -4.808 -6.940 1.00 0.00 C ATOM 234 CG LYS A 15 -5.555 -5.658 -7.205 1.00 0.00 C ATOM 235 CD LYS A 15 -6.720 -4.820 -7.763 1.00 0.00 C ATOM 236 CE LYS A 15 -6.721 -4.784 -9.295 1.00 0.00 C ATOM 237 NZ LYS A 15 -5.397 -4.391 -9.839 1.00 0.00 N ATOM 0 H LYS A 15 -4.607 -6.248 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.078 -3.985 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.325 -3.944 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.424 -5.395 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.311 -6.452 -7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.868 -6.140 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.665 -5.233 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.652 -3.803 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.996 -5.766 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.479 -4.082 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.452 -4.329 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.123 -3.466 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.687 -5.103 -9.572 1.00 0.00 H new ATOM 251 N PHE A 16 -6.323 -3.359 -5.079 1.00 0.00 N ATOM 252 CA PHE A 16 -7.297 -2.299 -4.789 1.00 0.00 C ATOM 253 C PHE A 16 -6.846 -1.457 -3.603 1.00 0.00 C ATOM 254 O PHE A 16 -6.804 -0.223 -3.696 1.00 0.00 O ATOM 255 CB PHE A 16 -8.704 -2.887 -4.538 1.00 0.00 C ATOM 256 CG PHE A 16 -9.684 -1.915 -3.930 1.00 0.00 C ATOM 257 CD1 PHE A 16 -10.149 -0.831 -4.654 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.127 -2.085 -2.633 1.00 0.00 C ATOM 259 CE1 PHE A 16 -11.037 0.061 -4.097 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.014 -1.195 -2.070 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.470 -0.122 -2.802 1.00 0.00 C ATOM 0 H PHE A 16 -6.734 -4.288 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.355 -1.652 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.108 -3.248 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.612 -3.751 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.811 -0.683 -5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.774 -2.925 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.393 0.902 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.352 -1.339 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.167 0.576 -2.361 1.00 0.00 H new ATOM 271 N LEU A 17 -6.507 -2.112 -2.496 1.00 0.00 N ATOM 272 CA LEU A 17 -6.047 -1.400 -1.309 1.00 0.00 C ATOM 273 C LEU A 17 -4.815 -0.553 -1.633 1.00 0.00 C ATOM 274 O LEU A 17 -4.779 0.635 -1.304 1.00 0.00 O ATOM 275 CB LEU A 17 -5.745 -2.366 -0.155 1.00 0.00 C ATOM 276 CG LEU A 17 -6.860 -2.557 0.897 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.111 -1.275 1.674 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.150 -3.040 0.251 1.00 0.00 C ATOM 0 H LEU A 17 -6.542 -3.127 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.852 -0.739 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.507 -3.341 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.849 -2.015 0.358 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.518 -3.320 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.901 -1.442 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.197 -0.976 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.415 -0.486 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.916 -3.165 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.486 -2.307 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.973 -3.994 -0.245 1.00 0.00 H new ATOM 290 N CYS A 18 -3.826 -1.150 -2.318 1.00 0.00 N ATOM 291 CA CYS A 18 -2.615 -0.411 -2.706 1.00 0.00 C ATOM 292 C CYS A 18 -2.964 0.711 -3.680 1.00 0.00 C ATOM 293 O CYS A 18 -2.662 1.871 -3.424 1.00 0.00 O ATOM 294 CB CYS A 18 -1.557 -1.344 -3.318 1.00 0.00 C ATOM 295 SG CYS A 18 -0.860 -2.538 -2.153 1.00 0.00 S ATOM 0 H CYS A 18 -3.840 -2.127 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.189 0.026 -1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.005 -1.885 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.749 -0.739 -3.728 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.358 -3.542 -2.809 1.00 0.00 H new ATOM 301 N GLU A 19 -3.632 0.355 -4.775 1.00 0.00 N ATOM 302 CA GLU A 19 -4.075 1.305 -5.793 1.00 0.00 C ATOM 303 C GLU A 19 -4.860 2.475 -5.173 1.00 0.00 C ATOM 304 O GLU A 19 -4.570 3.647 -5.470 1.00 0.00 O ATOM 305 CB GLU A 19 -4.907 0.567 -6.853 1.00 0.00 C ATOM 306 CG GLU A 19 -4.075 -0.401 -7.692 1.00 0.00 C ATOM 307 CD GLU A 19 -4.805 -0.920 -8.878 1.00 0.00 C ATOM 308 OE1 GLU A 19 -4.850 -0.235 -9.900 1.00 0.00 O ATOM 309 OE2 GLU A 19 -5.357 -2.011 -8.798 1.00 0.00 O ATOM 0 H GLU A 19 -3.884 -0.611 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.198 1.739 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.709 0.017 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.379 1.297 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.167 0.103 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.765 -1.239 -7.068 1.00 0.00 H new ATOM 316 N SER A 20 -5.819 2.169 -4.296 1.00 0.00 N ATOM 317 CA SER A 20 -6.590 3.218 -3.622 1.00 0.00 C ATOM 318 C SER A 20 -5.697 3.997 -2.668 1.00 0.00 C ATOM 319 O SER A 20 -5.674 5.221 -2.707 1.00 0.00 O ATOM 320 CB SER A 20 -7.799 2.652 -2.874 1.00 0.00 C ATOM 321 OG SER A 20 -8.485 1.670 -3.658 1.00 0.00 O ATOM 0 H SER A 20 -6.078 1.217 -4.038 1.00 0.00 H new ATOM 0 HA SER A 20 -6.969 3.891 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.472 2.206 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.484 3.461 -2.621 1.00 0.00 H new ATOM 0 HG SER A 20 -8.116 0.783 -3.467 1.00 0.00 H new ATOM 327 N LEU A 21 -4.905 3.284 -1.852 1.00 0.00 N ATOM 328 CA LEU A 21 -3.966 3.946 -0.941 1.00 0.00 C ATOM 329 C LEU A 21 -3.040 4.870 -1.714 1.00 0.00 C ATOM 330 O LEU A 21 -2.820 6.003 -1.309 1.00 0.00 O ATOM 331 CB LEU A 21 -3.161 2.939 -0.119 1.00 0.00 C ATOM 332 CG LEU A 21 -2.248 3.543 0.952 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.685 3.121 2.339 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.806 3.158 0.702 1.00 0.00 C ATOM 0 H LEU A 21 -4.897 2.265 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.552 4.540 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.856 2.253 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.550 2.346 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.328 4.628 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.020 3.564 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.705 3.460 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.645 2.035 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.173 3.597 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.710 2.073 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.495 3.527 -0.275 1.00 0.00 H new ATOM 346 N TYR A 22 -2.536 4.394 -2.846 1.00 0.00 N ATOM 347 CA TYR A 22 -1.701 5.207 -3.723 1.00 0.00 C ATOM 348 C TYR A 22 -2.466 6.488 -4.105 1.00 0.00 C ATOM 349 O TYR A 22 -1.924 7.596 -3.999 1.00 0.00 O ATOM 350 CB TYR A 22 -1.310 4.388 -4.981 1.00 0.00 C ATOM 351 CG TYR A 22 -0.580 5.139 -6.094 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.074 6.348 -5.872 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.548 4.613 -7.375 1.00 0.00 C ATOM 354 CE1 TYR A 22 0.727 7.001 -6.897 1.00 0.00 C ATOM 355 CE2 TYR A 22 0.102 5.256 -8.397 1.00 0.00 C ATOM 356 CZ TYR A 22 0.738 6.451 -8.157 1.00 0.00 C ATOM 357 OH TYR A 22 1.390 7.096 -9.178 1.00 0.00 O ATOM 0 H TYR A 22 -2.692 3.443 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.783 5.492 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.681 3.557 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.219 3.957 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.070 6.781 -4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.046 3.675 -7.573 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.227 7.940 -6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.114 4.825 -9.387 1.00 0.00 H new ATOM 0 HH TYR A 22 1.303 6.574 -10.003 1.00 0.00 H new ATOM 367 N ASP A 23 -3.760 6.329 -4.440 1.00 0.00 N ATOM 368 CA ASP A 23 -4.633 7.472 -4.771 1.00 0.00 C ATOM 369 C ASP A 23 -4.804 8.389 -3.561 1.00 0.00 C ATOM 370 O ASP A 23 -4.441 9.577 -3.619 1.00 0.00 O ATOM 371 CB ASP A 23 -6.015 6.985 -5.270 1.00 0.00 C ATOM 372 CG ASP A 23 -6.967 8.105 -5.569 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.677 8.902 -6.466 1.00 0.00 O ATOM 374 OD2 ASP A 23 -8.002 8.192 -4.913 1.00 0.00 O ATOM 0 H ASP A 23 -4.224 5.422 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.156 8.036 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.878 6.384 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.457 6.334 -4.516 1.00 0.00 H new ATOM 379 N GLU A 24 -5.310 7.831 -2.457 1.00 0.00 N ATOM 380 CA GLU A 24 -5.498 8.596 -1.206 1.00 0.00 C ATOM 381 C GLU A 24 -4.193 9.273 -0.788 1.00 0.00 C ATOM 382 O GLU A 24 -4.183 10.449 -0.392 1.00 0.00 O ATOM 383 CB GLU A 24 -5.985 7.688 -0.059 1.00 0.00 C ATOM 384 CG GLU A 24 -7.171 6.776 -0.398 1.00 0.00 C ATOM 385 CD GLU A 24 -8.508 7.415 -0.161 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.641 8.226 0.773 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.434 7.120 -0.922 1.00 0.00 O ATOM 0 H GLU A 24 -5.598 6.854 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.257 9.353 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.152 7.065 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.263 8.317 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.101 6.477 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.101 5.867 0.199 1.00 0.00 H new ATOM 394 N GLY A 25 -3.098 8.521 -0.865 1.00 0.00 N ATOM 395 CA GLY A 25 -1.805 9.029 -0.494 1.00 0.00 C ATOM 396 C GLY A 25 -1.445 10.240 -1.285 1.00 0.00 C ATOM 397 O GLY A 25 -1.244 11.304 -0.707 1.00 0.00 O ATOM 0 H GLY A 25 -3.094 7.552 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.800 9.273 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.052 8.256 -0.647 1.00 0.00 H new ATOM 401 N ILE A 26 -1.436 10.114 -2.619 1.00 0.00 N ATOM 402 CA ILE A 26 -1.161 11.259 -3.491 1.00 0.00 C ATOM 403 C ILE A 26 -2.116 12.409 -3.155 1.00 0.00 C ATOM 404 O ILE A 26 -1.669 13.539 -2.883 1.00 0.00 O ATOM 405 CB ILE A 26 -1.279 10.887 -5.006 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.275 9.788 -5.378 1.00 0.00 C ATOM 407 CG2 ILE A 26 -1.073 12.106 -5.905 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.168 10.248 -5.395 1.00 0.00 C ATOM 0 H ILE A 26 -1.614 9.239 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.132 11.571 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.290 10.514 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.374 8.965 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.531 9.395 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.162 11.807 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.828 12.858 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.081 12.523 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.813 9.412 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.286 11.050 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.445 10.613 -4.406 1.00 0.00 H new ATOM 420 N ALA A 27 -3.421 12.104 -3.115 1.00 0.00 N ATOM 421 CA ALA A 27 -4.444 13.096 -2.768 1.00 0.00 C ATOM 422 C ALA A 27 -4.078 13.841 -1.489 1.00 0.00 C ATOM 423 O ALA A 27 -4.263 15.060 -1.403 1.00 0.00 O ATOM 424 CB ALA A 27 -5.813 12.438 -2.604 1.00 0.00 C ATOM 0 H ALA A 27 -3.792 11.176 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.492 13.811 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.553 13.196 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.099 11.955 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.766 11.693 -1.810 1.00 0.00 H new ATOM 430 N THR A 28 -3.611 13.106 -0.488 1.00 0.00 N ATOM 431 CA THR A 28 -3.283 13.684 0.811 1.00 0.00 C ATOM 432 C THR A 28 -1.874 14.303 0.858 1.00 0.00 C ATOM 433 O THR A 28 -1.714 15.441 1.333 1.00 0.00 O ATOM 434 CB THR A 28 -3.472 12.639 1.928 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.622 11.868 1.700 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.588 13.239 3.314 1.00 0.00 C ATOM 0 H THR A 28 -3.450 12.101 -0.551 1.00 0.00 H new ATOM 0 HA THR A 28 -3.978 14.507 0.976 1.00 0.00 H new ATOM 0 HB THR A 28 -2.570 12.027 1.896 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.427 11.180 1.030 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.719 12.442 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.682 13.799 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.447 13.909 3.350 1.00 0.00 H new ATOM 444 N LEU A 29 -0.853 13.558 0.410 1.00 0.00 N ATOM 445 CA LEU A 29 0.528 14.050 0.463 1.00 0.00 C ATOM 446 C LEU A 29 0.756 15.216 -0.508 1.00 0.00 C ATOM 447 O LEU A 29 1.621 16.068 -0.268 1.00 0.00 O ATOM 448 CB LEU A 29 1.531 12.921 0.148 1.00 0.00 C ATOM 449 CG LEU A 29 1.332 11.580 0.886 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.736 10.414 0.005 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.117 11.546 2.181 1.00 0.00 C ATOM 0 H LEU A 29 -0.956 12.625 0.012 1.00 0.00 H new ATOM 0 HA LEU A 29 0.694 14.408 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.496 12.726 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.533 13.286 0.373 1.00 0.00 H new ATOM 0 HG LEU A 29 0.272 11.490 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.587 9.480 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.125 10.411 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.787 10.511 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.957 10.589 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.178 11.670 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.781 12.354 2.831 1.00 0.00 H new ATOM 463 N GLY A 30 -0.046 15.288 -1.575 1.00 0.00 N ATOM 464 CA GLY A 30 0.076 16.378 -2.523 1.00 0.00 C ATOM 465 C GLY A 30 -0.909 17.481 -2.229 1.00 0.00 C ATOM 466 O GLY A 30 -1.625 17.933 -3.136 1.00 0.00 O ATOM 0 H GLY A 30 -0.775 14.609 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.090 16.777 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.088 16.003 -3.533 1.00 0.00 H new ATOM 470 N ASP A 31 -0.965 17.917 -0.964 1.00 0.00 N ATOM 471 CA ASP A 31 -1.867 18.978 -0.544 1.00 0.00 C ATOM 472 C ASP A 31 -1.094 20.228 -0.187 1.00 0.00 C ATOM 473 O ASP A 31 -1.194 21.248 -0.874 1.00 0.00 O ATOM 474 CB ASP A 31 -2.739 18.542 0.629 1.00 0.00 C ATOM 475 CG ASP A 31 -4.033 19.281 0.665 1.00 0.00 C ATOM 476 OD1 ASP A 31 -4.848 19.084 -0.235 1.00 0.00 O ATOM 477 OD2 ASP A 31 -4.252 20.051 1.590 1.00 0.00 O ATOM 0 H ASP A 31 -0.387 17.542 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.524 19.200 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.934 17.472 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.201 18.707 1.562 1.00 0.00 H new ATOM 482 N SER A 32 -0.290 20.142 0.861 1.00 0.00 N ATOM 483 CA SER A 32 0.555 21.251 1.299 1.00 0.00 C ATOM 484 C SER A 32 1.805 21.365 0.388 1.00 0.00 C ATOM 485 O SER A 32 2.963 21.241 0.844 1.00 0.00 O ATOM 486 CB SER A 32 0.938 21.047 2.767 1.00 0.00 C ATOM 487 OG SER A 32 0.171 19.981 3.359 1.00 0.00 O ATOM 0 H SER A 32 -0.202 19.303 1.435 1.00 0.00 H new ATOM 0 HA SER A 32 0.007 22.190 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.001 20.819 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.771 21.971 3.321 1.00 0.00 H new ATOM 0 HG SER A 32 -0.170 20.269 4.231 1.00 0.00 H new ATOM 493 N HIS A 33 1.547 21.550 -0.918 1.00 0.00 N ATOM 494 CA HIS A 33 2.593 21.613 -1.966 1.00 0.00 C ATOM 495 C HIS A 33 3.751 22.509 -1.574 1.00 0.00 C ATOM 496 O HIS A 33 4.915 22.115 -1.685 1.00 0.00 O ATOM 497 CB HIS A 33 2.012 22.101 -3.307 1.00 0.00 C ATOM 498 CG HIS A 33 0.719 21.464 -3.697 1.00 0.00 C ATOM 499 ND1 HIS A 33 -0.467 22.155 -3.760 1.00 0.00 N ATOM 500 CD2 HIS A 33 0.425 20.187 -4.026 1.00 0.00 C ATOM 501 CE1 HIS A 33 -1.433 21.333 -4.108 1.00 0.00 C ATOM 502 NE2 HIS A 33 -0.924 20.128 -4.276 1.00 0.00 N ATOM 0 H HIS A 33 0.601 21.661 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 33 2.968 20.596 -2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.868 23.180 -3.253 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.744 21.916 -4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.122 19.364 -4.082 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.472 21.601 -4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.444 19.293 -4.546 1.00 0.00 H new ATOM 511 N HIS A 34 3.432 23.729 -1.142 1.00 0.00 N ATOM 512 CA HIS A 34 4.451 24.721 -0.777 1.00 0.00 C ATOM 513 C HIS A 34 5.346 24.296 0.394 1.00 0.00 C ATOM 514 O HIS A 34 6.344 24.974 0.671 1.00 0.00 O ATOM 515 CB HIS A 34 3.823 26.084 -0.481 1.00 0.00 C ATOM 516 CG HIS A 34 4.558 27.204 -1.119 1.00 0.00 C ATOM 517 ND1 HIS A 34 5.886 27.474 -0.865 1.00 0.00 N ATOM 518 CD2 HIS A 34 4.153 28.122 -2.016 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.262 28.519 -1.582 1.00 0.00 C ATOM 520 NE2 HIS A 34 5.222 28.934 -2.292 1.00 0.00 N ATOM 0 H HIS A 34 2.472 24.058 -1.035 1.00 0.00 H new ATOM 0 HA HIS A 34 5.095 24.797 -1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.790 26.087 -0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.796 26.240 0.597 1.00 0.00 H new ATOM 0 HD1 HIS A 34 6.484 26.950 -0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.164 28.204 -2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.248 28.960 -1.588 1.00 0.00 H new ATOM 529 N GLY A 35 4.993 23.214 1.092 1.00 0.00 N ATOM 530 CA GLY A 35 5.790 22.768 2.223 1.00 0.00 C ATOM 531 C GLY A 35 5.081 22.913 3.557 1.00 0.00 C ATOM 532 O GLY A 35 5.693 22.690 4.606 1.00 0.00 O ATOM 0 H GLY A 35 4.172 22.642 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.062 21.723 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.719 23.338 2.250 1.00 0.00 H new ATOM 536 N TRP A 36 3.786 23.267 3.535 1.00 0.00 N ATOM 537 CA TRP A 36 3.011 23.395 4.771 1.00 0.00 C ATOM 538 C TRP A 36 2.766 22.016 5.387 1.00 0.00 C ATOM 539 O TRP A 36 3.163 20.994 4.820 1.00 0.00 O ATOM 540 CB TRP A 36 1.668 24.097 4.503 1.00 0.00 C ATOM 541 CG TRP A 36 1.724 25.575 4.676 1.00 0.00 C ATOM 542 CD1 TRP A 36 2.153 26.492 3.761 1.00 0.00 C ATOM 543 CD2 TRP A 36 1.343 26.309 5.839 1.00 0.00 C ATOM 544 NE1 TRP A 36 2.051 27.755 4.286 1.00 0.00 N ATOM 545 CE2 TRP A 36 1.557 27.668 5.563 1.00 0.00 C ATOM 546 CE3 TRP A 36 0.837 25.945 7.089 1.00 0.00 C ATOM 547 CZ2 TRP A 36 1.286 28.660 6.488 1.00 0.00 C ATOM 548 CZ3 TRP A 36 0.567 26.937 8.009 1.00 0.00 C ATOM 549 CH2 TRP A 36 0.794 28.278 7.701 1.00 0.00 C ATOM 0 H TRP A 36 3.262 23.467 2.683 1.00 0.00 H new ATOM 0 HA TRP A 36 3.585 24.001 5.472 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.345 23.870 3.487 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.913 23.689 5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.518 26.258 2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.302 28.619 3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.661 24.907 7.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.458 29.701 6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.175 26.672 8.980 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.575 29.033 8.442 1.00 0.00 H new ATOM 560 N VAL A 37 2.088 21.987 6.524 1.00 0.00 N ATOM 561 CA VAL A 37 1.771 20.723 7.176 1.00 0.00 C ATOM 562 C VAL A 37 0.551 20.055 6.527 1.00 0.00 C ATOM 563 O VAL A 37 -0.346 20.744 5.986 1.00 0.00 O ATOM 564 CB VAL A 37 1.545 20.880 8.709 1.00 0.00 C ATOM 565 CG1 VAL A 37 2.876 21.028 9.424 1.00 0.00 C ATOM 566 CG2 VAL A 37 0.629 22.065 9.036 1.00 0.00 C ATOM 0 H VAL A 37 1.749 22.816 7.012 1.00 0.00 H new ATOM 0 HA VAL A 37 2.641 20.081 7.039 1.00 0.00 H new ATOM 0 HB VAL A 37 1.047 19.977 9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.704 21.137 10.495 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.487 20.143 9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.395 21.910 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.499 22.137 10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.077 22.986 8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.342 21.916 8.563 1.00 0.00 H new ATOM 576 N ASN A 38 0.475 18.744 6.648 1.00 0.00 N ATOM 577 CA ASN A 38 -0.652 17.964 6.154 1.00 0.00 C ATOM 578 C ASN A 38 -1.491 17.571 7.335 1.00 0.00 C ATOM 579 O ASN A 38 -0.977 16.983 8.277 1.00 0.00 O ATOM 580 CB ASN A 38 -0.183 16.693 5.420 1.00 0.00 C ATOM 581 CG ASN A 38 0.869 16.974 4.359 1.00 0.00 C ATOM 582 OD1 ASN A 38 2.044 17.145 4.679 1.00 0.00 O ATOM 583 ND2 ASN A 38 0.470 17.020 3.098 1.00 0.00 N ATOM 0 H ASN A 38 1.199 18.181 7.096 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.219 18.566 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.221 15.989 6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.042 16.212 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.145 17.202 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.513 16.873 2.868 1.00 0.00 H new ATOM 590 N ASP A 39 -2.763 17.944 7.319 1.00 0.00 N ATOM 591 CA ASP A 39 -3.668 17.663 8.444 1.00 0.00 C ATOM 592 C ASP A 39 -3.674 16.171 8.818 1.00 0.00 C ATOM 593 O ASP A 39 -4.274 15.353 8.106 1.00 0.00 O ATOM 594 CB ASP A 39 -5.095 18.157 8.132 1.00 0.00 C ATOM 595 CG ASP A 39 -6.105 17.843 9.202 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.754 17.813 10.386 1.00 0.00 O ATOM 597 OD2 ASP A 39 -7.263 17.637 8.851 1.00 0.00 O ATOM 0 H ASP A 39 -3.199 18.442 6.543 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.293 18.211 9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.068 19.236 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.425 17.710 7.194 1.00 0.00 H new ATOM 602 N PRO A 40 -3.016 15.792 9.947 1.00 0.00 N ATOM 603 CA PRO A 40 -2.966 14.391 10.415 1.00 0.00 C ATOM 604 C PRO A 40 -4.360 13.836 10.766 1.00 0.00 C ATOM 605 O PRO A 40 -4.555 12.615 10.826 1.00 0.00 O ATOM 606 CB PRO A 40 -2.089 14.458 11.680 1.00 0.00 C ATOM 607 CG PRO A 40 -1.351 15.754 11.575 1.00 0.00 C ATOM 608 CD PRO A 40 -2.275 16.690 10.859 1.00 0.00 C ATOM 0 HA PRO A 40 -2.577 13.726 9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.697 14.423 12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.400 13.615 11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.092 16.138 12.562 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.417 15.630 11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.943 17.205 11.550 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.728 17.458 10.313 1.00 0.00 H new ATOM 616 N THR A 41 -5.300 14.728 11.042 1.00 0.00 N ATOM 617 CA THR A 41 -6.663 14.352 11.422 1.00 0.00 C ATOM 618 C THR A 41 -7.572 14.113 10.200 1.00 0.00 C ATOM 619 O THR A 41 -8.611 13.461 10.318 1.00 0.00 O ATOM 620 CB THR A 41 -7.274 15.436 12.319 1.00 0.00 C ATOM 621 OG1 THR A 41 -6.349 16.500 12.576 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.725 14.905 13.632 1.00 0.00 C ATOM 0 H THR A 41 -5.144 15.735 11.010 1.00 0.00 H new ATOM 0 HA THR A 41 -6.597 13.410 11.967 1.00 0.00 H new ATOM 0 HB THR A 41 -8.134 15.810 11.764 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.400 17.159 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.149 15.715 14.226 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.482 14.137 13.473 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.875 14.473 14.161 1.00 0.00 H new ATOM 630 N SER A 42 -7.229 14.733 9.077 1.00 0.00 N ATOM 631 CA SER A 42 -8.015 14.700 7.848 1.00 0.00 C ATOM 632 C SER A 42 -8.585 13.311 7.527 1.00 0.00 C ATOM 633 O SER A 42 -7.942 12.279 7.795 1.00 0.00 O ATOM 634 CB SER A 42 -7.168 15.227 6.687 1.00 0.00 C ATOM 635 OG SER A 42 -5.969 14.469 6.516 1.00 0.00 O ATOM 0 H SER A 42 -6.376 15.286 8.993 1.00 0.00 H new ATOM 0 HA SER A 42 -8.880 15.346 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.752 15.195 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.915 16.272 6.867 1.00 0.00 H new ATOM 0 HG SER A 42 -5.351 14.664 7.252 1.00 0.00 H new ATOM 641 N ALA A 43 -9.787 13.290 6.927 1.00 0.00 N ATOM 642 CA ALA A 43 -10.451 12.032 6.547 1.00 0.00 C ATOM 643 C ALA A 43 -9.519 11.120 5.790 1.00 0.00 C ATOM 644 O ALA A 43 -9.420 9.945 6.107 1.00 0.00 O ATOM 645 CB ALA A 43 -11.707 12.275 5.721 1.00 0.00 C ATOM 0 H ALA A 43 -10.318 14.129 6.695 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.741 11.547 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.164 11.319 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.413 12.870 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.444 12.809 4.808 1.00 0.00 H new ATOM 651 N VAL A 44 -8.810 11.680 4.814 1.00 0.00 N ATOM 652 CA VAL A 44 -7.872 10.945 4.022 1.00 0.00 C ATOM 653 C VAL A 44 -6.853 10.276 4.918 1.00 0.00 C ATOM 654 O VAL A 44 -6.655 9.064 4.845 1.00 0.00 O ATOM 655 CB VAL A 44 -7.128 11.815 2.984 1.00 0.00 C ATOM 656 CG1 VAL A 44 -7.456 11.392 1.566 1.00 0.00 C ATOM 657 CG2 VAL A 44 -7.370 13.288 3.156 1.00 0.00 C ATOM 0 H VAL A 44 -8.882 12.665 4.561 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.453 10.206 3.470 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.067 11.644 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.915 12.026 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.161 10.353 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.528 11.493 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.818 13.839 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.435 13.496 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.033 13.599 4.145 1.00 0.00 H new ATOM 667 N ASN A 45 -6.251 11.073 5.815 1.00 0.00 N ATOM 668 CA ASN A 45 -5.289 10.557 6.781 1.00 0.00 C ATOM 669 C ASN A 45 -5.879 9.352 7.519 1.00 0.00 C ATOM 670 O ASN A 45 -5.228 8.304 7.658 1.00 0.00 O ATOM 671 CB ASN A 45 -4.885 11.642 7.796 1.00 0.00 C ATOM 672 CG ASN A 45 -3.412 11.595 8.143 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.944 10.635 8.760 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.665 12.630 7.752 1.00 0.00 N ATOM 0 H ASN A 45 -6.419 12.077 5.885 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.397 10.247 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.127 12.624 7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.473 11.520 8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.667 12.647 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.092 13.404 7.244 1.00 0.00 H new ATOM 681 N LEU A 46 -7.142 9.490 7.950 1.00 0.00 N ATOM 682 CA LEU A 46 -7.861 8.408 8.631 1.00 0.00 C ATOM 683 C LEU A 46 -8.093 7.240 7.684 1.00 0.00 C ATOM 684 O LEU A 46 -7.797 6.094 8.035 1.00 0.00 O ATOM 685 CB LEU A 46 -9.199 8.893 9.212 1.00 0.00 C ATOM 686 CG LEU A 46 -9.178 10.231 9.977 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.482 10.437 10.717 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.992 10.307 10.943 1.00 0.00 C ATOM 0 H LEU A 46 -7.687 10.345 7.837 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.238 8.074 9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.913 8.980 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.577 8.123 9.884 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.060 11.031 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.451 11.386 11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.307 10.449 10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.629 9.624 11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.009 11.264 11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.061 9.496 11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.061 10.215 10.384 1.00 0.00 H new ATOM 700 N GLN A 47 -8.589 7.531 6.466 1.00 0.00 N ATOM 701 CA GLN A 47 -8.795 6.529 5.456 1.00 0.00 C ATOM 702 C GLN A 47 -7.523 5.758 5.193 1.00 0.00 C ATOM 703 O GLN A 47 -7.513 4.557 5.297 1.00 0.00 O ATOM 704 CB GLN A 47 -9.242 7.210 4.213 1.00 0.00 C ATOM 705 CG GLN A 47 -10.545 7.961 4.419 1.00 0.00 C ATOM 706 CD GLN A 47 -11.436 7.698 3.320 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.571 7.257 3.488 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.950 7.930 2.179 1.00 0.00 N ATOM 0 H GLN A 47 -8.851 8.473 6.175 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.549 5.819 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.470 7.905 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.369 6.473 3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.008 7.654 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.351 9.031 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.002 8.296 2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.505 7.751 1.342 1.00 0.00 H new ATOM 717 N LEU A 48 -6.429 6.467 4.904 1.00 0.00 N ATOM 718 CA LEU A 48 -5.116 5.818 4.674 1.00 0.00 C ATOM 719 C LEU A 48 -4.715 4.994 5.881 1.00 0.00 C ATOM 720 O LEU A 48 -4.225 3.880 5.739 1.00 0.00 O ATOM 721 CB LEU A 48 -4.035 6.862 4.408 1.00 0.00 C ATOM 722 CG LEU A 48 -4.238 7.691 3.154 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.876 9.149 3.391 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.443 7.116 2.000 1.00 0.00 C ATOM 0 H LEU A 48 -6.416 7.484 4.822 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.214 5.170 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.981 7.534 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.072 6.356 4.339 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.296 7.653 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.032 9.716 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.506 9.556 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.830 9.220 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.602 7.725 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.383 7.114 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.771 6.095 1.805 1.00 0.00 H new ATOM 736 N ASN A 49 -4.965 5.533 7.072 1.00 0.00 N ATOM 737 CA ASN A 49 -4.680 4.809 8.325 1.00 0.00 C ATOM 738 C ASN A 49 -5.492 3.537 8.340 1.00 0.00 C ATOM 739 O ASN A 49 -4.965 2.444 8.601 1.00 0.00 O ATOM 740 CB ASN A 49 -5.033 5.655 9.549 1.00 0.00 C ATOM 741 CG ASN A 49 -3.824 6.318 10.153 1.00 0.00 C ATOM 742 OD1 ASN A 49 -3.117 5.714 10.957 1.00 0.00 O ATOM 743 ND2 ASN A 49 -3.559 7.547 9.758 1.00 0.00 N ATOM 0 H ASN A 49 -5.362 6.463 7.204 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.614 4.586 8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.758 6.417 9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.511 5.024 10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.740 8.034 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.173 8.011 9.089 1.00 0.00 H new ATOM 750 N ASP A 50 -6.767 3.684 7.974 1.00 0.00 N ATOM 751 CA ASP A 50 -7.691 2.572 7.822 1.00 0.00 C ATOM 752 C ASP A 50 -7.115 1.590 6.809 1.00 0.00 C ATOM 753 O ASP A 50 -6.887 0.435 7.125 1.00 0.00 O ATOM 754 CB ASP A 50 -9.045 3.096 7.327 1.00 0.00 C ATOM 755 CG ASP A 50 -10.170 2.212 7.701 1.00 0.00 C ATOM 756 OD1 ASP A 50 -10.719 2.407 8.788 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.511 1.320 6.926 1.00 0.00 O ATOM 0 H ASP A 50 -7.186 4.592 7.774 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.833 2.071 8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.217 4.091 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.015 3.200 6.242 1.00 0.00 H new ATOM 762 N LEU A 51 -6.819 2.106 5.604 1.00 0.00 N ATOM 763 CA LEU A 51 -6.190 1.359 4.519 1.00 0.00 C ATOM 764 C LEU A 51 -5.004 0.564 5.032 1.00 0.00 C ATOM 765 O LEU A 51 -4.974 -0.659 4.920 1.00 0.00 O ATOM 766 CB LEU A 51 -5.710 2.335 3.431 1.00 0.00 C ATOM 767 CG LEU A 51 -6.771 2.766 2.431 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.919 4.270 2.355 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.459 2.238 1.088 1.00 0.00 C ATOM 0 H LEU A 51 -7.018 3.076 5.359 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.925 0.669 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.308 3.225 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.888 1.870 2.886 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.717 2.355 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.689 4.523 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.203 4.658 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.971 4.714 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.228 2.556 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.491 2.619 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.427 1.149 1.124 1.00 0.00 H new ATOM 781 N ILE A 52 -4.031 1.274 5.601 1.00 0.00 N ATOM 782 CA ILE A 52 -2.818 0.658 6.162 1.00 0.00 C ATOM 783 C ILE A 52 -3.182 -0.558 7.032 1.00 0.00 C ATOM 784 O ILE A 52 -2.681 -1.665 6.793 1.00 0.00 O ATOM 785 CB ILE A 52 -1.966 1.693 6.983 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.476 2.825 6.081 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.765 1.035 7.668 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.114 4.071 6.840 1.00 0.00 C ATOM 0 H ILE A 52 -4.056 2.290 5.689 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.205 0.319 5.327 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.620 2.097 7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.606 2.483 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.252 3.063 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.206 1.788 8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.115 0.264 8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.118 0.585 6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.774 4.836 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.988 4.435 7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.317 3.847 7.549 1.00 0.00 H new ATOM 800 N GLU A 53 -4.107 -0.365 7.984 1.00 0.00 N ATOM 801 CA GLU A 53 -4.576 -1.459 8.836 1.00 0.00 C ATOM 802 C GLU A 53 -5.319 -2.499 8.020 1.00 0.00 C ATOM 803 O GLU A 53 -5.008 -3.691 8.097 1.00 0.00 O ATOM 804 CB GLU A 53 -5.474 -0.938 9.955 1.00 0.00 C ATOM 805 CG GLU A 53 -4.776 -0.861 11.283 1.00 0.00 C ATOM 806 CD GLU A 53 -5.630 -1.346 12.403 1.00 0.00 C ATOM 807 OE1 GLU A 53 -6.641 -0.708 12.692 1.00 0.00 O ATOM 808 OE2 GLU A 53 -5.309 -2.368 12.994 1.00 0.00 O ATOM 0 H GLU A 53 -4.542 0.537 8.180 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.699 -1.925 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.842 0.052 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.345 -1.587 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.862 -1.453 11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.480 0.170 11.476 1.00 0.00 H new ATOM 815 N HIS A 54 -6.297 -2.041 7.245 1.00 0.00 N ATOM 816 CA HIS A 54 -7.099 -2.909 6.371 1.00 0.00 C ATOM 817 C HIS A 54 -6.186 -3.823 5.554 1.00 0.00 C ATOM 818 O HIS A 54 -6.455 -5.028 5.412 1.00 0.00 O ATOM 819 CB HIS A 54 -7.969 -2.062 5.432 1.00 0.00 C ATOM 820 CG HIS A 54 -9.025 -2.845 4.717 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.755 -3.719 3.677 1.00 0.00 N ATOM 822 CD2 HIS A 54 -10.361 -2.895 4.908 1.00 0.00 C ATOM 823 CE1 HIS A 54 -9.887 -4.268 3.263 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.876 -3.783 3.996 1.00 0.00 N ATOM 0 H HIS A 54 -6.561 -1.057 7.201 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.749 -3.523 6.994 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.446 -1.270 6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.328 -1.578 4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.922 -2.338 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.986 -4.988 2.464 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.861 -4.029 3.899 1.00 0.00 H new ATOM 833 N ILE A 55 -5.088 -3.253 5.048 1.00 0.00 N ATOM 834 CA ILE A 55 -4.097 -4.017 4.320 1.00 0.00 C ATOM 835 C ILE A 55 -3.318 -4.888 5.303 1.00 0.00 C ATOM 836 O ILE A 55 -3.179 -6.071 5.084 1.00 0.00 O ATOM 837 CB ILE A 55 -3.101 -3.103 3.530 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.851 -2.177 2.579 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.095 -3.937 2.743 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.000 -1.048 2.036 1.00 0.00 C ATOM 0 H ILE A 55 -4.872 -2.260 5.135 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.622 -4.633 3.590 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.562 -2.501 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.238 -2.762 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.711 -1.755 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.416 -3.276 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.524 -4.562 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.625 -4.570 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.599 -0.430 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.634 -0.439 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.154 -1.462 1.487 1.00 0.00 H new ATOM 852 N ALA A 56 -2.840 -4.286 6.403 1.00 0.00 N ATOM 853 CA ALA A 56 -2.076 -5.009 7.436 1.00 0.00 C ATOM 854 C ALA A 56 -2.806 -6.274 7.884 1.00 0.00 C ATOM 855 O ALA A 56 -2.275 -7.386 7.767 1.00 0.00 O ATOM 856 CB ALA A 56 -1.801 -4.100 8.644 1.00 0.00 C ATOM 0 H ALA A 56 -2.969 -3.294 6.602 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.124 -5.305 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.236 -4.653 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.225 -3.232 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.747 -3.769 9.073 1.00 0.00 H new ATOM 862 N SER A 57 -4.029 -6.099 8.369 1.00 0.00 N ATOM 863 CA SER A 57 -4.857 -7.212 8.834 1.00 0.00 C ATOM 864 C SER A 57 -5.042 -8.257 7.737 1.00 0.00 C ATOM 865 O SER A 57 -4.813 -9.457 7.962 1.00 0.00 O ATOM 866 CB SER A 57 -6.220 -6.710 9.338 1.00 0.00 C ATOM 867 OG SER A 57 -6.749 -5.677 8.491 1.00 0.00 O ATOM 0 H SER A 57 -4.476 -5.186 8.452 1.00 0.00 H new ATOM 0 HA SER A 57 -4.338 -7.685 9.667 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.922 -7.543 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.115 -6.330 10.354 1.00 0.00 H new ATOM 0 HG SER A 57 -6.282 -4.835 8.672 1.00 0.00 H new ATOM 873 N PHE A 58 -5.450 -7.803 6.550 1.00 0.00 N ATOM 874 CA PHE A 58 -5.660 -8.702 5.422 1.00 0.00 C ATOM 875 C PHE A 58 -4.346 -9.386 4.997 1.00 0.00 C ATOM 876 O PHE A 58 -4.338 -10.594 4.703 1.00 0.00 O ATOM 877 CB PHE A 58 -6.302 -7.965 4.235 1.00 0.00 C ATOM 878 CG PHE A 58 -6.277 -8.757 2.968 1.00 0.00 C ATOM 879 CD1 PHE A 58 -6.880 -10.004 2.906 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.626 -8.274 1.853 1.00 0.00 C ATOM 881 CE1 PHE A 58 -6.832 -10.743 1.755 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.573 -9.016 0.707 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.175 -10.248 0.660 1.00 0.00 C ATOM 0 H PHE A 58 -5.640 -6.821 6.349 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.351 -9.480 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.335 -7.721 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.780 -7.021 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.392 -10.395 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.155 -7.303 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.309 -11.711 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.058 -8.633 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.130 -10.832 -0.247 1.00 0.00 H new ATOM 893 N VAL A 59 -3.254 -8.621 4.965 1.00 0.00 N ATOM 894 CA VAL A 59 -1.945 -9.139 4.581 1.00 0.00 C ATOM 895 C VAL A 59 -1.632 -10.401 5.357 1.00 0.00 C ATOM 896 O VAL A 59 -1.250 -11.387 4.759 1.00 0.00 O ATOM 897 CB VAL A 59 -0.805 -8.072 4.754 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.586 -8.714 4.823 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.853 -7.065 3.612 1.00 0.00 C ATOM 0 H VAL A 59 -3.254 -7.629 5.204 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.987 -9.380 3.519 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.979 -7.564 5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.340 -7.936 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.630 -9.396 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.778 -9.267 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.059 -6.330 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.716 -7.584 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.819 -6.560 3.613 1.00 0.00 H new ATOM 909 N MET A 60 -1.841 -10.380 6.687 1.00 0.00 N ATOM 910 CA MET A 60 -1.612 -11.575 7.516 1.00 0.00 C ATOM 911 C MET A 60 -2.210 -12.819 6.836 1.00 0.00 C ATOM 912 O MET A 60 -1.488 -13.764 6.528 1.00 0.00 O ATOM 913 CB MET A 60 -2.206 -11.409 8.931 1.00 0.00 C ATOM 914 CG MET A 60 -1.179 -11.186 10.011 1.00 0.00 C ATOM 915 SD MET A 60 -1.747 -10.072 11.312 1.00 0.00 S ATOM 916 CE MET A 60 -1.677 -8.488 10.476 1.00 0.00 C ATOM 0 H MET A 60 -2.163 -9.561 7.203 1.00 0.00 H new ATOM 0 HA MET A 60 -0.534 -11.703 7.618 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.899 -10.568 8.925 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.786 -12.299 9.176 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.913 -12.146 10.454 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.272 -10.779 9.563 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.932 -7.694 11.178 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.670 -8.323 10.092 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.386 -8.482 9.648 1.00 0.00 H new ATOM 926 N SER A 61 -3.505 -12.751 6.499 1.00 0.00 N ATOM 927 CA SER A 61 -4.191 -13.832 5.775 1.00 0.00 C ATOM 928 C SER A 61 -3.506 -14.078 4.428 1.00 0.00 C ATOM 929 O SER A 61 -3.169 -15.222 4.083 1.00 0.00 O ATOM 930 CB SER A 61 -5.670 -13.466 5.557 1.00 0.00 C ATOM 931 OG SER A 61 -5.947 -12.116 5.952 1.00 0.00 O ATOM 0 H SER A 61 -4.103 -11.954 6.718 1.00 0.00 H new ATOM 0 HA SER A 61 -4.138 -14.744 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.926 -13.597 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.301 -14.148 6.126 1.00 0.00 H new ATOM 0 HG SER A 61 -5.643 -11.501 5.252 1.00 0.00 H new ATOM 937 N PHE A 62 -3.238 -12.978 3.708 1.00 0.00 N ATOM 938 CA PHE A 62 -2.523 -13.019 2.432 1.00 0.00 C ATOM 939 C PHE A 62 -1.248 -13.868 2.552 1.00 0.00 C ATOM 940 O PHE A 62 -0.982 -14.710 1.676 1.00 0.00 O ATOM 941 CB PHE A 62 -2.165 -11.593 1.979 1.00 0.00 C ATOM 942 CG PHE A 62 -1.797 -11.468 0.524 1.00 0.00 C ATOM 943 CD1 PHE A 62 -0.498 -11.675 0.095 1.00 0.00 C ATOM 944 CD2 PHE A 62 -2.752 -11.137 -0.414 1.00 0.00 C ATOM 945 CE1 PHE A 62 -0.171 -11.553 -1.238 1.00 0.00 C ATOM 946 CE2 PHE A 62 -2.430 -11.013 -1.745 1.00 0.00 C ATOM 947 CZ PHE A 62 -1.137 -11.220 -2.159 1.00 0.00 C ATOM 0 H PHE A 62 -3.512 -12.039 3.997 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.175 -13.476 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.012 -10.938 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.332 -11.233 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.267 -11.935 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.771 -10.972 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.846 -11.719 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.193 -10.753 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.880 -11.122 -3.203 1.00 0.00 H new ATOM 957 N LYS A 63 -0.483 -13.648 3.642 1.00 0.00 N ATOM 958 CA LYS A 63 0.770 -14.392 3.909 1.00 0.00 C ATOM 959 C LYS A 63 0.503 -15.842 4.288 1.00 0.00 C ATOM 960 O LYS A 63 1.254 -16.739 3.890 1.00 0.00 O ATOM 961 CB LYS A 63 1.678 -13.724 4.993 1.00 0.00 C ATOM 962 CG LYS A 63 1.245 -12.338 5.468 1.00 0.00 C ATOM 963 CD LYS A 63 2.142 -11.798 6.572 1.00 0.00 C ATOM 964 CE LYS A 63 3.030 -10.664 6.080 1.00 0.00 C ATOM 965 NZ LYS A 63 4.462 -10.891 6.378 1.00 0.00 N ATOM 0 H LYS A 63 -0.712 -12.957 4.357 1.00 0.00 H new ATOM 0 HA LYS A 63 1.315 -14.363 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.723 -14.385 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.690 -13.650 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.256 -11.648 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.217 -12.385 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.526 -11.444 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.765 -12.604 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.901 -10.547 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.710 -9.730 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.027 -10.115 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.601 -10.925 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.765 -11.793 5.958 1.00 0.00 H new ATOM 979 N ILE A 64 -0.566 -16.088 5.040 1.00 0.00 N ATOM 980 CA ILE A 64 -0.906 -17.446 5.434 1.00 0.00 C ATOM 981 C ILE A 64 -1.252 -18.258 4.197 1.00 0.00 C ATOM 982 O ILE A 64 -0.797 -19.405 4.047 1.00 0.00 O ATOM 983 CB ILE A 64 -2.090 -17.518 6.454 1.00 0.00 C ATOM 984 CG1 ILE A 64 -1.936 -16.459 7.557 1.00 0.00 C ATOM 985 CG2 ILE A 64 -2.175 -18.908 7.068 1.00 0.00 C ATOM 986 CD1 ILE A 64 -2.702 -16.753 8.832 1.00 0.00 C ATOM 0 H ILE A 64 -1.204 -15.371 5.384 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.032 -17.858 5.938 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.014 -17.313 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.878 -16.359 7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.265 -15.496 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.003 -18.943 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.339 -19.644 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.244 -19.134 7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.533 -15.952 9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.767 -16.822 8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.358 -17.698 9.254 1.00 0.00 H new ATOM 998 N LYS A 65 -2.057 -17.666 3.305 1.00 0.00 N ATOM 999 CA LYS A 65 -2.458 -18.356 2.098 1.00 0.00 C ATOM 1000 C LYS A 65 -1.324 -18.453 1.063 1.00 0.00 C ATOM 1001 O LYS A 65 -1.312 -19.385 0.252 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.742 -17.764 1.476 1.00 0.00 C ATOM 1003 CG LYS A 65 -3.595 -16.344 0.929 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.010 -16.256 -0.547 1.00 0.00 C ATOM 1005 CE LYS A 65 -3.002 -15.462 -1.398 1.00 0.00 C ATOM 1006 NZ LYS A 65 -2.442 -14.281 -0.681 1.00 0.00 N ATOM 0 H LYS A 65 -2.433 -16.723 3.404 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.692 -19.375 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.072 -18.417 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.529 -17.768 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.206 -15.662 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.560 -16.019 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.110 -17.262 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.990 -15.785 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.186 -16.121 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.491 -15.127 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.920 -13.683 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.217 -13.732 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.798 -14.604 0.069 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.394 -17.482 1.052 1.00 0.00 N ATOM 1021 CA TYR A 66 0.691 -17.499 0.072 1.00 0.00 C ATOM 1022 C TYR A 66 1.978 -16.875 0.603 1.00 0.00 C ATOM 1023 O TYR A 66 2.001 -15.707 0.984 1.00 0.00 O ATOM 1024 CB TYR A 66 0.272 -16.768 -1.204 1.00 0.00 C ATOM 1025 CG TYR A 66 0.977 -17.217 -2.473 1.00 0.00 C ATOM 1026 CD1 TYR A 66 0.944 -18.542 -2.896 1.00 0.00 C ATOM 1027 CD2 TYR A 66 1.655 -16.302 -3.262 1.00 0.00 C ATOM 1028 CE1 TYR A 66 1.564 -18.930 -4.066 1.00 0.00 C ATOM 1029 CE2 TYR A 66 2.280 -16.681 -4.425 1.00 0.00 C ATOM 1030 CZ TYR A 66 2.232 -17.995 -4.827 1.00 0.00 C ATOM 1031 OH TYR A 66 2.842 -18.374 -6.000 1.00 0.00 O ATOM 0 H TYR A 66 -0.376 -16.693 1.699 1.00 0.00 H new ATOM 0 HA TYR A 66 0.892 -18.548 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.802 -16.896 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.451 -15.702 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.425 -19.278 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.693 -15.267 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.526 -19.961 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.807 -15.950 -5.021 1.00 0.00 H new ATOM 0 HH TYR A 66 3.812 -18.266 -5.914 1.00 0.00 H new ATOM 1041 N PRO A 67 3.067 -17.670 0.673 1.00 0.00 N ATOM 1042 CA PRO A 67 4.380 -17.185 1.123 1.00 0.00 C ATOM 1043 C PRO A 67 5.316 -16.762 -0.070 1.00 0.00 C ATOM 1044 O PRO A 67 6.282 -16.008 0.121 1.00 0.00 O ATOM 1045 CB PRO A 67 4.942 -18.429 1.796 1.00 0.00 C ATOM 1046 CG PRO A 67 4.436 -19.572 0.955 1.00 0.00 C ATOM 1047 CD PRO A 67 3.096 -19.141 0.403 1.00 0.00 C ATOM 0 HA PRO A 67 4.308 -16.297 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.031 -18.408 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.599 -18.512 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.133 -19.798 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.336 -20.478 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.012 -19.356 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.273 -19.657 0.898 1.00 0.00 H new ATOM 1055 N ASP A 68 5.047 -17.336 -1.274 1.00 0.00 N ATOM 1056 CA ASP A 68 5.877 -17.159 -2.499 1.00 0.00 C ATOM 1057 C ASP A 68 5.923 -15.734 -3.015 1.00 0.00 C ATOM 1058 O ASP A 68 6.901 -15.322 -3.655 1.00 0.00 O ATOM 1059 CB ASP A 68 5.387 -18.109 -3.595 1.00 0.00 C ATOM 1060 CG ASP A 68 6.146 -18.018 -4.885 1.00 0.00 C ATOM 1061 OD1 ASP A 68 7.371 -18.104 -4.869 1.00 0.00 O ATOM 1062 OD2 ASP A 68 5.507 -17.860 -5.932 1.00 0.00 O ATOM 0 H ASP A 68 4.240 -17.941 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 68 6.901 -17.402 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.448 -19.132 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.335 -17.903 -3.792 1.00 0.00 H new ATOM 1067 N ASP A 69 4.927 -14.976 -2.692 1.00 0.00 N ATOM 1068 CA ASP A 69 4.843 -13.579 -3.059 1.00 0.00 C ATOM 1069 C ASP A 69 5.650 -12.691 -2.115 1.00 0.00 C ATOM 1070 O ASP A 69 5.466 -11.479 -2.110 1.00 0.00 O ATOM 1071 CB ASP A 69 3.397 -13.168 -3.028 1.00 0.00 C ATOM 1072 CG ASP A 69 2.829 -13.050 -1.636 1.00 0.00 C ATOM 1073 OD1 ASP A 69 3.010 -12.007 -0.985 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.212 -13.997 -1.194 1.00 0.00 O ATOM 0 H ASP A 69 4.126 -15.307 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 69 5.263 -13.455 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.290 -12.210 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.810 -13.895 -3.590 1.00 0.00 H new ATOM 1079 N GLY A 70 6.501 -13.306 -1.293 1.00 0.00 N ATOM 1080 CA GLY A 70 7.266 -12.603 -0.289 1.00 0.00 C ATOM 1081 C GLY A 70 7.762 -11.229 -0.716 1.00 0.00 C ATOM 1082 O GLY A 70 7.672 -10.279 0.063 1.00 0.00 O ATOM 0 H GLY A 70 6.673 -14.311 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.652 -12.491 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.125 -13.214 -0.011 1.00 0.00 H new ATOM 1086 N ASP A 71 8.218 -11.101 -1.973 1.00 0.00 N ATOM 1087 CA ASP A 71 8.651 -9.792 -2.510 1.00 0.00 C ATOM 1088 C ASP A 71 7.484 -8.800 -2.501 1.00 0.00 C ATOM 1089 O ASP A 71 7.598 -7.687 -1.980 1.00 0.00 O ATOM 1090 CB ASP A 71 9.170 -9.936 -3.947 1.00 0.00 C ATOM 1091 CG ASP A 71 10.393 -9.129 -4.198 1.00 0.00 C ATOM 1092 OD1 ASP A 71 11.442 -9.436 -3.608 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.320 -8.192 -4.989 1.00 0.00 O ATOM 0 H ASP A 71 8.297 -11.875 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 71 9.454 -9.421 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.384 -10.986 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.389 -9.631 -4.643 1.00 0.00 H new ATOM 1098 N LEU A 72 6.349 -9.245 -3.049 1.00 0.00 N ATOM 1099 CA LEU A 72 5.113 -8.459 -3.091 1.00 0.00 C ATOM 1100 C LEU A 72 4.700 -8.058 -1.694 1.00 0.00 C ATOM 1101 O LEU A 72 4.516 -6.865 -1.411 1.00 0.00 O ATOM 1102 CB LEU A 72 3.978 -9.276 -3.742 1.00 0.00 C ATOM 1103 CG LEU A 72 2.713 -8.494 -4.129 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.938 -7.668 -5.377 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.539 -9.433 -4.321 1.00 0.00 C ATOM 0 H LEU A 72 6.262 -10.166 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 72 5.298 -7.564 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.372 -9.755 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.692 -10.072 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 72 2.482 -7.812 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.025 -7.127 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.745 -6.957 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.206 -8.325 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.654 -8.858 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.768 -10.145 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.349 -9.972 -3.393 1.00 0.00 H new ATOM 1117 N SER A 73 4.581 -9.051 -0.817 1.00 0.00 N ATOM 1118 CA SER A 73 4.189 -8.812 0.570 1.00 0.00 C ATOM 1119 C SER A 73 5.148 -7.836 1.219 1.00 0.00 C ATOM 1120 O SER A 73 4.726 -6.813 1.758 1.00 0.00 O ATOM 1121 CB SER A 73 4.116 -10.121 1.368 1.00 0.00 C ATOM 1122 OG SER A 73 4.859 -11.169 0.735 1.00 0.00 O ATOM 0 H SER A 73 4.751 -10.031 -1.042 1.00 0.00 H new ATOM 0 HA SER A 73 3.190 -8.377 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.503 -9.956 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.075 -10.425 1.473 1.00 0.00 H new ATOM 0 HG SER A 73 4.249 -11.737 0.219 1.00 0.00 H new ATOM 1128 N GLU A 74 6.450 -8.117 1.081 1.00 0.00 N ATOM 1129 CA GLU A 74 7.487 -7.278 1.549 1.00 0.00 C ATOM 1130 C GLU A 74 7.281 -5.831 1.095 1.00 0.00 C ATOM 1131 O GLU A 74 7.298 -4.919 1.922 1.00 0.00 O ATOM 1132 CB GLU A 74 8.810 -7.822 1.048 1.00 0.00 C ATOM 1133 CG GLU A 74 9.953 -7.161 1.685 1.00 0.00 C ATOM 1134 CD GLU A 74 10.485 -7.910 2.853 1.00 0.00 C ATOM 1135 OE1 GLU A 74 9.926 -7.775 3.942 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.462 -8.639 2.693 1.00 0.00 O ATOM 0 H GLU A 74 6.788 -8.964 0.624 1.00 0.00 H new ATOM 0 HA GLU A 74 7.482 -7.270 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.858 -8.894 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.871 -7.690 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.748 -7.035 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.655 -6.163 2.006 1.00 0.00 H new ATOM 1143 N LEU A 75 7.052 -5.634 -0.207 1.00 0.00 N ATOM 1144 CA LEU A 75 6.800 -4.293 -0.765 1.00 0.00 C ATOM 1145 C LEU A 75 5.570 -3.681 -0.110 1.00 0.00 C ATOM 1146 O LEU A 75 5.603 -2.529 0.326 1.00 0.00 O ATOM 1147 CB LEU A 75 6.592 -4.351 -2.284 1.00 0.00 C ATOM 1148 CG LEU A 75 7.377 -3.340 -3.133 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.416 -1.972 -2.479 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.774 -3.845 -3.398 1.00 0.00 C ATOM 0 H LEU A 75 7.035 -6.384 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 75 7.675 -3.676 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.852 -5.353 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.530 -4.211 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 75 6.858 -3.233 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.980 -1.284 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.399 -1.599 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.897 -2.048 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.316 -3.116 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.294 -3.991 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.723 -4.793 -3.934 1.00 0.00 H new ATOM 1162 N VAL A 76 4.496 -4.470 -0.009 1.00 0.00 N ATOM 1163 CA VAL A 76 3.277 -4.018 0.662 1.00 0.00 C ATOM 1164 C VAL A 76 3.630 -3.575 2.090 1.00 0.00 C ATOM 1165 O VAL A 76 3.297 -2.457 2.496 1.00 0.00 O ATOM 1166 CB VAL A 76 2.178 -5.133 0.715 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.909 -4.632 1.403 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.846 -5.651 -0.683 1.00 0.00 C ATOM 0 H VAL A 76 4.447 -5.418 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 76 2.867 -3.187 0.089 1.00 0.00 H new ATOM 0 HB VAL A 76 2.585 -5.957 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.167 -5.430 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.144 -4.329 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.510 -3.779 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.080 -6.424 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.477 -4.830 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.743 -6.070 -1.138 1.00 0.00 H new ATOM 1178 N GLU A 77 4.361 -4.438 2.815 1.00 0.00 N ATOM 1179 CA GLU A 77 4.814 -4.127 4.176 1.00 0.00 C ATOM 1180 C GLU A 77 5.610 -2.813 4.192 1.00 0.00 C ATOM 1181 O GLU A 77 5.308 -1.905 4.996 1.00 0.00 O ATOM 1182 CB GLU A 77 5.638 -5.293 4.749 1.00 0.00 C ATOM 1183 CG GLU A 77 4.829 -6.590 4.904 1.00 0.00 C ATOM 1184 CD GLU A 77 5.532 -7.639 5.703 1.00 0.00 C ATOM 1185 OE1 GLU A 77 6.029 -7.326 6.782 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.560 -8.796 5.268 1.00 0.00 O ATOM 0 H GLU A 77 4.650 -5.357 2.479 1.00 0.00 H new ATOM 0 HA GLU A 77 3.941 -3.993 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.491 -5.481 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.037 -5.004 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.876 -6.360 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.603 -6.988 3.915 1.00 0.00 H new ATOM 1193 N GLU A 78 6.560 -2.677 3.244 1.00 0.00 N ATOM 1194 CA GLU A 78 7.321 -1.430 3.074 1.00 0.00 C ATOM 1195 C GLU A 78 6.340 -0.264 2.866 1.00 0.00 C ATOM 1196 O GLU A 78 6.445 0.779 3.526 1.00 0.00 O ATOM 1197 CB GLU A 78 8.285 -1.534 1.856 1.00 0.00 C ATOM 1198 CG GLU A 78 9.359 -2.605 2.002 1.00 0.00 C ATOM 1199 CD GLU A 78 10.328 -2.664 0.849 1.00 0.00 C ATOM 1200 OE1 GLU A 78 9.896 -2.708 -0.314 1.00 0.00 O ATOM 1201 OE2 GLU A 78 11.528 -2.706 1.102 1.00 0.00 O ATOM 0 H GLU A 78 6.815 -3.415 2.588 1.00 0.00 H new ATOM 0 HA GLU A 78 7.919 -1.255 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.700 -1.741 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.768 -0.569 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.915 -2.424 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.876 -3.577 2.108 1.00 0.00 H new ATOM 1208 N TYR A 79 5.390 -0.472 1.958 1.00 0.00 N ATOM 1209 CA TYR A 79 4.365 0.513 1.624 1.00 0.00 C ATOM 1210 C TYR A 79 3.564 0.940 2.855 1.00 0.00 C ATOM 1211 O TYR A 79 3.439 2.144 3.129 1.00 0.00 O ATOM 1212 CB TYR A 79 3.424 -0.040 0.537 1.00 0.00 C ATOM 1213 CG TYR A 79 2.807 1.003 -0.367 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.522 2.125 -0.771 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.509 0.856 -0.824 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.959 3.062 -1.600 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.934 1.793 -1.656 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.658 2.892 -2.042 1.00 0.00 C ATOM 1219 OH TYR A 79 1.083 3.821 -2.877 1.00 0.00 O ATOM 0 H TYR A 79 5.309 -1.339 1.427 1.00 0.00 H new ATOM 0 HA TYR A 79 4.872 1.398 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.980 -0.748 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.623 -0.599 1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.537 2.261 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.936 -0.009 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.528 3.928 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.081 1.662 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 79 1.022 4.683 -2.415 1.00 0.00 H new ATOM 1229 N LEU A 80 2.982 -0.030 3.578 1.00 0.00 N ATOM 1230 CA LEU A 80 2.173 0.281 4.772 1.00 0.00 C ATOM 1231 C LEU A 80 2.951 1.153 5.740 1.00 0.00 C ATOM 1232 O LEU A 80 2.464 2.219 6.160 1.00 0.00 O ATOM 1233 CB LEU A 80 1.704 -1.001 5.477 1.00 0.00 C ATOM 1234 CG LEU A 80 1.090 -2.079 4.575 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.394 -3.124 5.394 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.141 -1.471 3.560 1.00 0.00 C ATOM 0 H LEU A 80 3.053 -1.024 3.362 1.00 0.00 H new ATOM 0 HA LEU A 80 1.292 0.829 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.555 -1.436 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.969 -0.727 6.234 1.00 0.00 H new ATOM 0 HG LEU A 80 1.902 -2.558 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.034 -3.878 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.110 -3.595 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.401 -2.659 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.278 -2.260 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.665 -0.953 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.683 -0.762 2.934 1.00 0.00 H new ATOM 1248 N ASP A 81 4.183 0.724 6.055 1.00 0.00 N ATOM 1249 CA ASP A 81 5.061 1.493 6.954 1.00 0.00 C ATOM 1250 C ASP A 81 5.290 2.873 6.411 1.00 0.00 C ATOM 1251 O ASP A 81 5.021 3.864 7.090 1.00 0.00 O ATOM 1252 CB ASP A 81 6.416 0.816 7.155 1.00 0.00 C ATOM 1253 CG ASP A 81 7.107 1.306 8.398 1.00 0.00 C ATOM 1254 OD1 ASP A 81 6.564 1.140 9.485 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.192 1.863 8.288 1.00 0.00 O ATOM 0 H ASP A 81 4.592 -0.142 5.705 1.00 0.00 H new ATOM 0 HA ASP A 81 4.553 1.545 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.277 -0.263 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.049 1.006 6.288 1.00 0.00 H new ATOM 1260 N ASP A 82 5.793 2.940 5.178 1.00 0.00 N ATOM 1261 CA ASP A 82 6.057 4.231 4.505 1.00 0.00 C ATOM 1262 C ASP A 82 4.849 5.150 4.647 1.00 0.00 C ATOM 1263 O ASP A 82 4.959 6.266 5.173 1.00 0.00 O ATOM 1264 CB ASP A 82 6.356 4.027 3.004 1.00 0.00 C ATOM 1265 CG ASP A 82 7.817 3.863 2.666 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.667 3.787 3.569 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.120 3.792 1.492 1.00 0.00 O ATOM 0 H ASP A 82 6.029 2.121 4.618 1.00 0.00 H new ATOM 0 HA ASP A 82 6.928 4.681 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.816 3.146 2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.963 4.880 2.451 1.00 0.00 H new ATOM 1272 N THR A 83 3.685 4.649 4.218 1.00 0.00 N ATOM 1273 CA THR A 83 2.425 5.390 4.317 1.00 0.00 C ATOM 1274 C THR A 83 2.193 5.864 5.757 1.00 0.00 C ATOM 1275 O THR A 83 1.943 7.057 5.997 1.00 0.00 O ATOM 1276 CB THR A 83 1.229 4.523 3.841 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.551 3.774 2.665 1.00 0.00 O ATOM 1278 CG2 THR A 83 -0.015 5.329 3.524 1.00 0.00 C ATOM 0 H THR A 83 3.591 3.725 3.796 1.00 0.00 H new ATOM 0 HA THR A 83 2.496 6.261 3.666 1.00 0.00 H new ATOM 0 HB THR A 83 1.025 3.863 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.960 2.921 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.810 4.658 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.337 5.867 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.206 6.042 2.730 1.00 0.00 H new ATOM 1286 N TYR A 84 2.281 4.925 6.713 1.00 0.00 N ATOM 1287 CA TYR A 84 2.079 5.240 8.114 1.00 0.00 C ATOM 1288 C TYR A 84 3.063 6.318 8.588 1.00 0.00 C ATOM 1289 O TYR A 84 2.645 7.337 9.150 1.00 0.00 O ATOM 1290 CB TYR A 84 2.200 3.981 8.985 1.00 0.00 C ATOM 1291 CG TYR A 84 2.005 4.268 10.442 1.00 0.00 C ATOM 1292 CD1 TYR A 84 0.738 4.390 10.976 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.089 4.447 11.273 1.00 0.00 C ATOM 1294 CE1 TYR A 84 0.555 4.684 12.306 1.00 0.00 C ATOM 1295 CE2 TYR A 84 2.925 4.734 12.600 1.00 0.00 C ATOM 1296 CZ TYR A 84 1.651 4.856 13.116 1.00 0.00 C ATOM 1297 OH TYR A 84 1.475 5.150 14.443 1.00 0.00 O ATOM 0 H TYR A 84 2.491 3.944 6.529 1.00 0.00 H new ATOM 0 HA TYR A 84 1.068 5.634 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.462 3.247 8.661 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.182 3.533 8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.123 4.252 10.339 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.087 4.359 10.869 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.442 4.779 12.711 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.786 4.864 13.239 1.00 0.00 H new ATOM 0 HH TYR A 84 2.349 5.239 14.877 1.00 0.00 H new ATOM 1307 N THR A 85 4.360 6.080 8.377 1.00 0.00 N ATOM 1308 CA THR A 85 5.406 7.032 8.796 1.00 0.00 C ATOM 1309 C THR A 85 5.106 8.447 8.271 1.00 0.00 C ATOM 1310 O THR A 85 5.080 9.404 9.048 1.00 0.00 O ATOM 1311 CB THR A 85 6.819 6.581 8.334 1.00 0.00 C ATOM 1312 OG1 THR A 85 6.921 5.163 8.214 1.00 0.00 O ATOM 1313 CG2 THR A 85 7.920 7.023 9.268 1.00 0.00 C ATOM 0 H THR A 85 4.716 5.240 7.920 1.00 0.00 H new ATOM 0 HA THR A 85 5.400 7.051 9.886 1.00 0.00 H new ATOM 0 HB THR A 85 6.946 7.060 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.374 4.858 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.881 6.676 8.888 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.927 8.111 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.748 6.602 10.258 1.00 0.00 H new ATOM 1321 N LEU A 86 4.862 8.557 6.958 1.00 0.00 N ATOM 1322 CA LEU A 86 4.558 9.845 6.319 1.00 0.00 C ATOM 1323 C LEU A 86 3.435 10.561 7.039 1.00 0.00 C ATOM 1324 O LEU A 86 3.635 11.619 7.629 1.00 0.00 O ATOM 1325 CB LEU A 86 4.126 9.622 4.871 1.00 0.00 C ATOM 1326 CG LEU A 86 5.093 10.063 3.747 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.141 11.047 4.242 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.747 8.869 3.085 1.00 0.00 C ATOM 0 H LEU A 86 4.869 7.765 6.315 1.00 0.00 H new ATOM 0 HA LEU A 86 5.462 10.453 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.928 8.558 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.180 10.143 4.721 1.00 0.00 H new ATOM 0 HG LEU A 86 4.491 10.581 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.796 11.327 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.648 11.938 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.731 10.583 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.421 9.212 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.312 8.306 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.980 8.228 2.651 1.00 0.00 H new ATOM 1340 N PHE A 87 2.236 9.978 6.965 1.00 0.00 N ATOM 1341 CA PHE A 87 1.045 10.572 7.568 1.00 0.00 C ATOM 1342 C PHE A 87 1.171 10.760 9.073 1.00 0.00 C ATOM 1343 O PHE A 87 0.469 11.593 9.653 1.00 0.00 O ATOM 1344 CB PHE A 87 -0.209 9.794 7.182 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.490 9.901 5.706 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.776 11.130 5.137 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.425 8.789 4.885 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.996 11.248 3.787 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.639 8.904 3.528 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.925 10.136 2.978 1.00 0.00 C ATOM 0 H PHE A 87 2.066 9.091 6.491 1.00 0.00 H new ATOM 0 HA PHE A 87 0.949 11.577 7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.087 8.746 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.062 10.173 7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.827 12.008 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.204 7.822 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.225 12.213 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.583 8.030 2.896 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.093 10.228 1.915 1.00 0.00 H new ATOM 1360 N SER A 88 2.120 10.056 9.688 1.00 0.00 N ATOM 1361 CA SER A 88 2.408 10.243 11.088 1.00 0.00 C ATOM 1362 C SER A 88 3.160 11.586 11.321 1.00 0.00 C ATOM 1363 O SER A 88 3.172 12.118 12.452 1.00 0.00 O ATOM 1364 CB SER A 88 3.228 9.079 11.596 1.00 0.00 C ATOM 1365 OG SER A 88 2.438 7.895 11.690 1.00 0.00 O ATOM 0 H SER A 88 2.697 9.352 9.228 1.00 0.00 H new ATOM 0 HA SER A 88 1.469 10.285 11.640 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.071 8.905 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.642 9.322 12.575 1.00 0.00 H new ATOM 0 HG SER A 88 2.595 7.334 10.902 1.00 0.00 H new ATOM 1371 N SER A 89 3.771 12.132 10.257 1.00 0.00 N ATOM 1372 CA SER A 89 4.490 13.396 10.317 1.00 0.00 C ATOM 1373 C SER A 89 3.545 14.551 9.965 1.00 0.00 C ATOM 1374 O SER A 89 2.862 14.504 8.941 1.00 0.00 O ATOM 1375 CB SER A 89 5.674 13.361 9.333 1.00 0.00 C ATOM 1376 OG SER A 89 6.553 12.261 9.629 1.00 0.00 O ATOM 0 H SER A 89 3.775 11.701 9.333 1.00 0.00 H new ATOM 0 HA SER A 89 4.869 13.549 11.327 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.302 13.270 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.227 14.299 9.389 1.00 0.00 H new ATOM 0 HG SER A 89 6.827 11.828 8.794 1.00 0.00 H new ATOM 1382 N TYR A 90 3.505 15.585 10.823 1.00 0.00 N ATOM 1383 CA TYR A 90 2.622 16.751 10.605 1.00 0.00 C ATOM 1384 C TYR A 90 2.744 17.314 9.180 1.00 0.00 C ATOM 1385 O TYR A 90 1.751 17.682 8.578 1.00 0.00 O ATOM 1386 CB TYR A 90 2.885 17.855 11.636 1.00 0.00 C ATOM 1387 CG TYR A 90 1.631 18.459 12.222 1.00 0.00 C ATOM 1388 CD1 TYR A 90 0.583 18.875 11.406 1.00 0.00 C ATOM 1389 CD2 TYR A 90 1.498 18.621 13.586 1.00 0.00 C ATOM 1390 CE1 TYR A 90 -0.550 19.436 11.938 1.00 0.00 C ATOM 1391 CE2 TYR A 90 0.367 19.176 14.129 1.00 0.00 C ATOM 1392 CZ TYR A 90 -0.658 19.584 13.302 1.00 0.00 C ATOM 1393 OH TYR A 90 -1.794 20.160 13.831 1.00 0.00 O ATOM 0 H TYR A 90 4.070 15.640 11.671 1.00 0.00 H new ATOM 0 HA TYR A 90 1.601 16.392 10.734 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.491 17.446 12.444 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.471 18.645 11.166 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.663 18.754 10.336 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.299 18.305 14.238 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.352 19.759 11.291 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.280 19.293 15.199 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.720 20.193 14.808 1.00 0.00 H new ATOM 1403 N GLY A 91 3.954 17.360 8.649 1.00 0.00 N ATOM 1404 CA GLY A 91 4.152 17.815 7.281 1.00 0.00 C ATOM 1405 C GLY A 91 4.965 16.816 6.533 1.00 0.00 C ATOM 1406 O GLY A 91 6.082 16.503 6.956 1.00 0.00 O ATOM 0 H GLY A 91 4.808 17.091 9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.189 17.955 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.654 18.782 7.278 1.00 0.00 H new ATOM 1410 N ILE A 92 4.415 16.282 5.461 1.00 0.00 N ATOM 1411 CA ILE A 92 5.099 15.250 4.689 1.00 0.00 C ATOM 1412 C ILE A 92 6.446 15.735 4.182 1.00 0.00 C ATOM 1413 O ILE A 92 6.524 16.674 3.360 1.00 0.00 O ATOM 1414 CB ILE A 92 4.257 14.722 3.512 1.00 0.00 C ATOM 1415 CG1 ILE A 92 2.923 14.189 4.010 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.008 13.614 2.786 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.039 13.082 5.037 1.00 0.00 C ATOM 0 H ILE A 92 3.497 16.542 5.100 1.00 0.00 H new ATOM 0 HA ILE A 92 5.255 14.421 5.379 1.00 0.00 H new ATOM 0 HB ILE A 92 4.075 15.547 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.355 15.012 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.351 13.820 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.404 13.248 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.951 14.004 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.207 12.796 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.042 12.760 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.577 12.239 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.581 13.450 5.909 1.00 0.00 H new ATOM 1429 N ASN A 93 7.494 15.079 4.643 1.00 0.00 N ATOM 1430 CA ASN A 93 8.864 15.421 4.259 1.00 0.00 C ATOM 1431 C ASN A 93 9.295 14.612 3.068 1.00 0.00 C ATOM 1432 O ASN A 93 8.918 13.442 2.931 1.00 0.00 O ATOM 1433 CB ASN A 93 9.845 15.199 5.422 1.00 0.00 C ATOM 1434 CG ASN A 93 9.457 15.977 6.657 1.00 0.00 C ATOM 1435 OD1 ASN A 93 9.962 17.079 6.896 1.00 0.00 O ATOM 1436 ND2 ASN A 93 8.555 15.435 7.437 1.00 0.00 N ATOM 0 H ASN A 93 7.428 14.295 5.293 1.00 0.00 H new ATOM 0 HA ASN A 93 8.877 16.479 3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.885 14.137 5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.847 15.493 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.246 15.925 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.162 14.523 7.205 1.00 0.00 H new ATOM 1443 N ASP A 94 10.101 15.223 2.206 1.00 0.00 N ATOM 1444 CA ASP A 94 10.597 14.548 1.012 1.00 0.00 C ATOM 1445 C ASP A 94 11.378 13.259 1.326 1.00 0.00 C ATOM 1446 O ASP A 94 11.127 12.254 0.681 1.00 0.00 O ATOM 1447 CB ASP A 94 11.396 15.488 0.077 1.00 0.00 C ATOM 1448 CG ASP A 94 12.685 15.965 0.656 1.00 0.00 C ATOM 1449 OD1 ASP A 94 12.663 16.910 1.451 1.00 0.00 O ATOM 1450 OD2 ASP A 94 13.719 15.408 0.318 1.00 0.00 O ATOM 0 H ASP A 94 10.425 16.184 2.312 1.00 0.00 H new ATOM 0 HA ASP A 94 9.704 14.244 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.600 14.966 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.778 16.352 -0.168 1.00 0.00 H new ATOM 1455 N PRO A 95 12.326 13.238 2.338 1.00 0.00 N ATOM 1456 CA PRO A 95 13.087 12.014 2.666 1.00 0.00 C ATOM 1457 C PRO A 95 12.171 10.798 2.854 1.00 0.00 C ATOM 1458 O PRO A 95 12.345 9.763 2.185 1.00 0.00 O ATOM 1459 CB PRO A 95 13.811 12.359 3.988 1.00 0.00 C ATOM 1460 CG PRO A 95 13.231 13.664 4.449 1.00 0.00 C ATOM 1461 CD PRO A 95 12.720 14.359 3.221 1.00 0.00 C ATOM 0 HA PRO A 95 13.771 11.739 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.656 11.578 4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.887 12.443 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.426 13.500 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 95 13.986 14.269 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.875 15.009 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.487 14.983 2.762 1.00 0.00 H new ATOM 1469 N GLU A 96 11.190 10.941 3.745 1.00 0.00 N ATOM 1470 CA GLU A 96 10.221 9.875 4.016 1.00 0.00 C ATOM 1471 C GLU A 96 9.261 9.704 2.836 1.00 0.00 C ATOM 1472 O GLU A 96 9.045 8.588 2.361 1.00 0.00 O ATOM 1473 CB GLU A 96 9.434 10.125 5.337 1.00 0.00 C ATOM 1474 CG GLU A 96 9.336 11.599 5.789 1.00 0.00 C ATOM 1475 CD GLU A 96 8.141 11.893 6.659 1.00 0.00 C ATOM 1476 OE1 GLU A 96 7.741 11.027 7.451 1.00 0.00 O ATOM 1477 OE2 GLU A 96 7.631 13.012 6.582 1.00 0.00 O ATOM 0 H GLU A 96 11.044 11.788 4.294 1.00 0.00 H new ATOM 0 HA GLU A 96 10.783 8.950 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.424 9.733 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.906 9.550 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.243 11.863 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.296 12.238 4.906 1.00 0.00 H new ATOM 1484 N LEU A 97 8.697 10.820 2.350 1.00 0.00 N ATOM 1485 CA LEU A 97 7.764 10.783 1.213 1.00 0.00 C ATOM 1486 C LEU A 97 8.362 10.049 0.030 1.00 0.00 C ATOM 1487 O LEU A 97 7.701 9.205 -0.589 1.00 0.00 O ATOM 1488 CB LEU A 97 7.347 12.189 0.777 1.00 0.00 C ATOM 1489 CG LEU A 97 6.411 12.250 -0.436 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.059 11.646 -0.116 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.260 13.666 -0.923 1.00 0.00 C ATOM 0 H LEU A 97 8.869 11.754 2.723 1.00 0.00 H new ATOM 0 HA LEU A 97 6.880 10.246 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.858 12.682 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.246 12.763 0.550 1.00 0.00 H new ATOM 0 HG LEU A 97 6.861 11.659 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.417 11.704 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.186 10.603 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.600 12.196 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.592 13.685 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.843 14.282 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.235 14.057 -1.212 1.00 0.00 H new ATOM 1503 N GLN A 98 9.596 10.402 -0.318 1.00 0.00 N ATOM 1504 CA GLN A 98 10.273 9.800 -1.447 1.00 0.00 C ATOM 1505 C GLN A 98 10.350 8.293 -1.321 1.00 0.00 C ATOM 1506 O GLN A 98 10.167 7.584 -2.320 1.00 0.00 O ATOM 1507 CB GLN A 98 11.639 10.437 -1.671 1.00 0.00 C ATOM 1508 CG GLN A 98 11.520 11.780 -2.349 1.00 0.00 C ATOM 1509 CD GLN A 98 10.774 11.682 -3.644 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.999 10.752 -4.431 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.872 12.582 -3.871 1.00 0.00 N ATOM 0 H GLN A 98 10.145 11.107 0.174 1.00 0.00 H new ATOM 0 HA GLN A 98 9.677 10.001 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.147 10.555 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.255 9.775 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.009 12.478 -1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.515 12.185 -2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.718 13.332 -3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.315 12.542 -4.724 1.00 0.00 H new ATOM 1520 N ARG A 99 10.507 7.797 -0.087 1.00 0.00 N ATOM 1521 CA ARG A 99 10.468 6.363 0.149 1.00 0.00 C ATOM 1522 C ARG A 99 9.149 5.811 -0.380 1.00 0.00 C ATOM 1523 O ARG A 99 9.143 4.923 -1.243 1.00 0.00 O ATOM 1524 CB ARG A 99 10.615 6.037 1.641 1.00 0.00 C ATOM 1525 CG ARG A 99 11.995 6.343 2.195 1.00 0.00 C ATOM 1526 CD ARG A 99 12.954 5.172 1.993 1.00 0.00 C ATOM 1527 NE ARG A 99 13.581 4.732 3.250 1.00 0.00 N ATOM 1528 CZ ARG A 99 14.698 5.274 3.786 1.00 0.00 C ATOM 1529 NH1 ARG A 99 15.218 6.393 3.259 1.00 0.00 N ATOM 1530 NH2 ARG A 99 15.257 4.726 4.867 1.00 0.00 N ATOM 0 H ARG A 99 10.660 8.364 0.747 1.00 0.00 H new ATOM 0 HA ARG A 99 11.305 5.899 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.873 6.603 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.395 4.981 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.396 7.231 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.918 6.572 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.413 4.336 1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.731 5.461 1.285 1.00 0.00 H new ATOM 0 HE ARG A 99 13.141 3.962 3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.771 6.834 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.060 6.803 3.662 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.842 3.896 5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.100 5.137 5.269 1.00 0.00 H new ATOM 1544 N TRP A 100 8.038 6.411 0.082 1.00 0.00 N ATOM 1545 CA TRP A 100 6.687 6.039 -0.358 1.00 0.00 C ATOM 1546 C TRP A 100 6.578 6.114 -1.872 1.00 0.00 C ATOM 1547 O TRP A 100 6.215 5.123 -2.523 1.00 0.00 O ATOM 1548 CB TRP A 100 5.644 6.971 0.283 1.00 0.00 C ATOM 1549 CG TRP A 100 4.245 6.438 0.289 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.742 5.504 1.128 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.162 6.819 -0.577 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.425 5.284 0.860 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.037 6.074 -0.178 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.031 7.721 -1.639 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 0.801 6.197 -0.803 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 1.799 7.840 -2.262 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.700 7.080 -1.837 1.00 0.00 C ATOM 0 H TRP A 100 8.054 7.165 0.769 1.00 0.00 H new ATOM 0 HA TRP A 100 6.495 5.014 -0.042 1.00 0.00 H new ATOM 0 HB2 TRP A 100 5.944 7.176 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.653 7.923 -0.248 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.305 5.003 1.901 1.00 0.00 H new ATOM 0 HE1 TRP A 100 1.823 4.629 1.359 1.00 0.00 H new ATOM 0 HE3 TRP A 100 3.873 8.312 -1.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -0.049 5.614 -0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.684 8.528 -3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.248 7.197 -2.340 1.00 0.00 H new ATOM 1568 N GLN A 101 6.909 7.296 -2.429 1.00 0.00 N ATOM 1569 CA GLN A 101 6.859 7.531 -3.888 1.00 0.00 C ATOM 1570 C GLN A 101 7.523 6.382 -4.661 1.00 0.00 C ATOM 1571 O GLN A 101 7.002 5.933 -5.703 1.00 0.00 O ATOM 1572 CB GLN A 101 7.521 8.878 -4.266 1.00 0.00 C ATOM 1573 CG GLN A 101 7.106 10.067 -3.401 1.00 0.00 C ATOM 1574 CD GLN A 101 6.650 11.256 -4.199 1.00 0.00 C ATOM 1575 OE1 GLN A 101 7.180 11.549 -5.275 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.689 11.963 -3.682 1.00 0.00 N ATOM 0 H GLN A 101 7.215 8.106 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 101 5.807 7.574 -4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.603 8.764 -4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.283 9.104 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.302 9.758 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.947 10.361 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.276 11.688 -2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.348 12.792 -4.168 1.00 0.00 H new ATOM 1585 N LYS A 102 8.658 5.913 -4.162 1.00 0.00 N ATOM 1586 CA LYS A 102 9.385 4.832 -4.799 1.00 0.00 C ATOM 1587 C LYS A 102 8.800 3.458 -4.438 1.00 0.00 C ATOM 1588 O LYS A 102 8.592 2.620 -5.322 1.00 0.00 O ATOM 1589 CB LYS A 102 10.845 4.948 -4.434 1.00 0.00 C ATOM 1590 CG LYS A 102 11.431 6.262 -4.899 1.00 0.00 C ATOM 1591 CD LYS A 102 12.739 6.561 -4.224 1.00 0.00 C ATOM 1592 CE LYS A 102 12.863 8.033 -3.903 1.00 0.00 C ATOM 1593 NZ LYS A 102 12.583 8.930 -5.069 1.00 0.00 N ATOM 0 H LYS A 102 9.095 6.269 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 102 9.284 4.917 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.959 4.860 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.399 4.123 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.578 6.232 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.725 7.067 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.820 5.978 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.563 6.256 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.175 8.278 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.870 8.232 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.434 9.483 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.316 8.355 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.803 9.576 -4.831 1.00 0.00 H new ATOM 1607 N THR A 103 8.493 3.242 -3.156 1.00 0.00 N ATOM 1608 CA THR A 103 7.881 1.984 -2.714 1.00 0.00 C ATOM 1609 C THR A 103 6.584 1.684 -3.506 1.00 0.00 C ATOM 1610 O THR A 103 6.364 0.534 -3.914 1.00 0.00 O ATOM 1611 CB THR A 103 7.648 1.976 -1.186 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.823 2.390 -0.504 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.267 0.617 -0.617 1.00 0.00 C ATOM 0 H THR A 103 8.657 3.917 -2.409 1.00 0.00 H new ATOM 0 HA THR A 103 8.581 1.177 -2.930 1.00 0.00 H new ATOM 0 HB THR A 103 6.813 2.660 -1.032 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.635 3.206 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.122 0.701 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.343 0.274 -1.082 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.063 -0.099 -0.821 1.00 0.00 H new ATOM 1621 N LYS A 104 5.767 2.728 -3.807 1.00 0.00 N ATOM 1622 CA LYS A 104 4.573 2.506 -4.647 1.00 0.00 C ATOM 1623 C LYS A 104 5.006 1.998 -6.011 1.00 0.00 C ATOM 1624 O LYS A 104 4.624 0.889 -6.409 1.00 0.00 O ATOM 1625 CB LYS A 104 3.647 3.750 -4.801 1.00 0.00 C ATOM 1626 CG LYS A 104 4.314 5.116 -4.645 1.00 0.00 C ATOM 1627 CD LYS A 104 3.656 6.180 -5.529 1.00 0.00 C ATOM 1628 CE LYS A 104 3.994 5.983 -7.013 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.271 6.628 -7.402 1.00 0.00 N ATOM 0 H LYS A 104 5.908 3.689 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 104 3.968 1.762 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.179 3.708 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.847 3.674 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.261 5.428 -3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.370 5.035 -4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.575 6.144 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.984 7.170 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.050 4.916 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.187 6.390 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.483 6.406 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.189 7.658 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.038 6.272 -6.797 1.00 0.00 H new ATOM 1643 N GLU A 105 5.904 2.767 -6.681 1.00 0.00 N ATOM 1644 CA GLU A 105 6.483 2.345 -7.972 1.00 0.00 C ATOM 1645 C GLU A 105 6.894 0.888 -7.884 1.00 0.00 C ATOM 1646 O GLU A 105 6.397 0.044 -8.632 1.00 0.00 O ATOM 1647 CB GLU A 105 7.727 3.189 -8.320 1.00 0.00 C ATOM 1648 CG GLU A 105 7.431 4.606 -8.743 1.00 0.00 C ATOM 1649 CD GLU A 105 6.487 4.680 -9.894 1.00 0.00 C ATOM 1650 OE1 GLU A 105 6.700 3.966 -10.890 1.00 0.00 O ATOM 1651 OE2 GLU A 105 5.530 5.446 -9.811 1.00 0.00 O ATOM 0 H GLU A 105 6.236 3.672 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 105 5.731 2.486 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.386 3.214 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.273 2.692 -9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.011 5.152 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.364 5.103 -9.011 1.00 0.00 H new ATOM 1658 N ARG A 106 7.767 0.618 -6.921 1.00 0.00 N ATOM 1659 CA ARG A 106 8.270 -0.709 -6.629 1.00 0.00 C ATOM 1660 C ARG A 106 7.157 -1.744 -6.619 1.00 0.00 C ATOM 1661 O ARG A 106 7.216 -2.723 -7.362 1.00 0.00 O ATOM 1662 CB ARG A 106 8.955 -0.699 -5.268 1.00 0.00 C ATOM 1663 CG ARG A 106 10.405 -0.405 -5.307 1.00 0.00 C ATOM 1664 CD ARG A 106 10.880 -0.028 -3.933 1.00 0.00 C ATOM 1665 NE ARG A 106 10.950 -1.174 -3.018 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.920 -2.107 -3.041 1.00 0.00 C ATOM 1667 NH1 ARG A 106 12.878 -2.064 -3.987 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.922 -3.063 -2.129 1.00 0.00 N ATOM 0 H ARG A 106 8.151 1.338 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 106 8.977 -0.980 -7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.465 0.041 -4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.808 -1.670 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.953 -1.276 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.603 0.407 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.866 0.431 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.209 0.723 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 106 10.214 -1.270 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.870 -1.323 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.612 -2.772 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.193 -3.089 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.653 -3.775 -2.138 1.00 0.00 H new ATOM 1682 N LEU A 107 6.165 -1.540 -5.757 1.00 0.00 N ATOM 1683 CA LEU A 107 5.058 -2.490 -5.599 1.00 0.00 C ATOM 1684 C LEU A 107 4.258 -2.662 -6.884 1.00 0.00 C ATOM 1685 O LEU A 107 3.817 -3.775 -7.212 1.00 0.00 O ATOM 1686 CB LEU A 107 4.148 -2.066 -4.446 1.00 0.00 C ATOM 1687 CG LEU A 107 3.128 -3.099 -3.951 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.706 -4.520 -3.937 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.631 -2.711 -2.578 1.00 0.00 C ATOM 0 H LEU A 107 6.102 -0.721 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 107 5.495 -3.460 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.778 -1.781 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.604 -1.173 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 107 2.291 -3.104 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.948 -5.217 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.009 -4.799 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.572 -4.554 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.907 -3.448 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.471 -2.673 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.156 -1.731 -2.626 1.00 0.00 H new ATOM 1701 N PHE A 108 4.084 -1.579 -7.618 1.00 0.00 N ATOM 1702 CA PHE A 108 3.349 -1.616 -8.872 1.00 0.00 C ATOM 1703 C PHE A 108 4.047 -2.478 -9.888 1.00 0.00 C ATOM 1704 O PHE A 108 3.382 -3.175 -10.644 1.00 0.00 O ATOM 1705 CB PHE A 108 3.049 -0.219 -9.419 1.00 0.00 C ATOM 1706 CG PHE A 108 1.769 0.324 -8.860 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.704 0.719 -7.542 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.624 0.409 -9.637 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.542 1.185 -7.000 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.553 0.884 -9.097 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.593 1.271 -7.775 1.00 0.00 C ATOM 0 H PHE A 108 4.443 -0.658 -7.367 1.00 0.00 H new ATOM 0 HA PHE A 108 2.382 -2.073 -8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.870 0.454 -9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.985 -0.258 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.589 0.659 -6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.654 0.101 -10.672 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.512 1.486 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.441 0.952 -9.708 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.513 1.641 -7.347 1.00 0.00 H new ATOM 1721 N ARG A 109 5.385 -2.520 -9.846 1.00 0.00 N ATOM 1722 CA ARG A 109 6.131 -3.431 -10.718 1.00 0.00 C ATOM 1723 C ARG A 109 5.654 -4.859 -10.444 1.00 0.00 C ATOM 1724 O ARG A 109 5.263 -5.581 -11.364 1.00 0.00 O ATOM 1725 CB ARG A 109 7.664 -3.346 -10.490 1.00 0.00 C ATOM 1726 CG ARG A 109 8.227 -1.940 -10.236 1.00 0.00 C ATOM 1727 CD ARG A 109 8.593 -1.230 -11.535 1.00 0.00 C ATOM 1728 NE ARG A 109 7.418 -0.659 -12.224 1.00 0.00 N ATOM 1729 CZ ARG A 109 6.961 0.610 -12.061 1.00 0.00 C ATOM 1730 NH1 ARG A 109 7.485 1.400 -11.112 1.00 0.00 N ATOM 1731 NH2 ARG A 109 5.973 1.066 -12.833 1.00 0.00 N ATOM 0 H ARG A 109 5.962 -1.946 -9.231 1.00 0.00 H new ATOM 0 HA ARG A 109 5.944 -3.143 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.921 -3.978 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.165 -3.765 -11.362 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.491 -1.347 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.110 -2.012 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.306 -0.434 -11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.093 -1.934 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 109 6.911 -1.263 -12.871 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.229 1.049 -10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.139 2.352 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.562 0.462 -13.545 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.629 2.019 -12.712 1.00 0.00 H new ATOM 1745 N LEU A 110 5.606 -5.227 -9.145 1.00 0.00 N ATOM 1746 CA LEU A 110 5.143 -6.501 -8.717 1.00 0.00 C ATOM 1747 C LEU A 110 3.684 -6.725 -9.103 1.00 0.00 C ATOM 1748 O LEU A 110 3.336 -7.774 -9.673 1.00 0.00 O ATOM 1749 CB LEU A 110 5.328 -6.608 -7.221 1.00 0.00 C ATOM 1750 CG LEU A 110 6.775 -6.676 -6.756 1.00 0.00 C ATOM 1751 CD1 LEU A 110 7.355 -5.326 -6.615 1.00 0.00 C ATOM 1752 CD2 LEU A 110 6.951 -7.473 -5.489 1.00 0.00 C ATOM 0 H LEU A 110 5.898 -4.618 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 110 5.724 -7.277 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.850 -5.750 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.806 -7.498 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 110 7.321 -7.208 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.390 -5.407 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.323 -4.814 -7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.781 -4.758 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.004 -7.484 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.368 -7.017 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.608 -8.495 -5.651 1.00 0.00 H new ATOM 1764 N PHE A 111 2.828 -5.743 -8.794 1.00 0.00 N ATOM 1765 CA PHE A 111 1.401 -5.836 -9.122 1.00 0.00 C ATOM 1766 C PHE A 111 1.135 -5.807 -10.636 1.00 0.00 C ATOM 1767 O PHE A 111 0.052 -6.187 -11.073 1.00 0.00 O ATOM 1768 CB PHE A 111 0.578 -4.751 -8.410 1.00 0.00 C ATOM 1769 CG PHE A 111 0.145 -5.159 -7.031 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.014 -5.888 -6.839 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.908 -4.830 -5.931 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.403 -6.277 -5.570 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.527 -5.216 -4.663 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.628 -5.940 -4.484 1.00 0.00 C ATOM 0 H PHE A 111 3.097 -4.881 -8.320 1.00 0.00 H new ATOM 0 HA PHE A 111 1.075 -6.809 -8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.169 -3.838 -8.345 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.303 -4.519 -9.008 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.623 -6.157 -7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.817 -4.262 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.312 -6.843 -5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.135 -4.950 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.927 -6.244 -3.492 1.00 0.00 H new ATOM 1784 N SER A 112 2.117 -5.359 -11.429 1.00 0.00 N ATOM 1785 CA SER A 112 1.964 -5.267 -12.887 1.00 0.00 C ATOM 1786 C SER A 112 2.145 -6.605 -13.627 1.00 0.00 C ATOM 1787 O SER A 112 2.290 -6.613 -14.859 1.00 0.00 O ATOM 1788 CB SER A 112 2.893 -4.194 -13.471 1.00 0.00 C ATOM 1789 OG SER A 112 2.535 -2.893 -12.987 1.00 0.00 O ATOM 0 H SER A 112 3.027 -5.054 -11.085 1.00 0.00 H new ATOM 0 HA SER A 112 0.927 -4.975 -13.052 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.926 -4.415 -13.202 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.836 -4.210 -14.559 1.00 0.00 H new ATOM 0 HG SER A 112 2.825 -2.799 -12.056 1.00 0.00 H new ATOM 1795 N GLY A 113 2.104 -7.733 -12.910 1.00 0.00 N ATOM 1796 CA GLY A 113 2.212 -9.014 -13.583 1.00 0.00 C ATOM 1797 C GLY A 113 3.280 -9.935 -13.044 1.00 0.00 C ATOM 1798 O GLY A 113 3.321 -11.101 -13.453 1.00 0.00 O ATOM 0 H GLY A 113 2.000 -7.779 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.250 -9.522 -13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.408 -8.836 -14.640 1.00 0.00 H new ATOM 1802 N GLU A 114 4.139 -9.456 -12.120 1.00 0.00 N ATOM 1803 CA GLU A 114 5.178 -10.319 -11.554 1.00 0.00 C ATOM 1804 C GLU A 114 4.541 -11.539 -10.856 1.00 0.00 C ATOM 1805 O GLU A 114 4.522 -12.638 -11.398 1.00 0.00 O ATOM 1806 CB GLU A 114 6.101 -9.550 -10.556 1.00 0.00 C ATOM 1807 CG GLU A 114 6.792 -8.299 -11.117 1.00 0.00 C ATOM 1808 CD GLU A 114 8.081 -8.610 -11.791 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.062 -8.918 -12.972 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.121 -8.557 -11.136 1.00 0.00 O ATOM 0 H GLU A 114 4.130 -8.501 -11.762 1.00 0.00 H new ATOM 0 HA GLU A 114 5.801 -10.660 -12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.506 -9.257 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.868 -10.236 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.125 -7.807 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.972 -7.593 -10.306 1.00 0.00 H new ATOM 1817 N TYR A 115 4.051 -11.326 -9.643 1.00 0.00 N ATOM 1818 CA TYR A 115 3.447 -12.389 -8.821 1.00 0.00 C ATOM 1819 C TYR A 115 1.940 -12.522 -9.043 1.00 0.00 C ATOM 1820 O TYR A 115 1.403 -13.634 -9.094 1.00 0.00 O ATOM 1821 CB TYR A 115 3.791 -12.179 -7.328 1.00 0.00 C ATOM 1822 CG TYR A 115 5.228 -11.733 -7.160 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.568 -10.392 -7.224 1.00 0.00 C ATOM 1824 CD2 TYR A 115 6.244 -12.657 -7.028 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.874 -9.988 -7.164 1.00 0.00 C ATOM 1826 CE2 TYR A 115 7.556 -12.262 -6.947 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.871 -10.924 -7.020 1.00 0.00 C ATOM 1828 OH TYR A 115 9.198 -10.531 -6.988 1.00 0.00 O ATOM 0 H TYR A 115 4.057 -10.412 -9.191 1.00 0.00 H new ATOM 0 HA TYR A 115 3.881 -13.336 -9.143 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.122 -11.433 -6.898 1.00 0.00 H new ATOM 0 HB3 TYR A 115 3.628 -13.107 -6.780 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.788 -9.652 -7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.003 -13.709 -6.988 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.121 -8.939 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.338 -12.998 -6.827 1.00 0.00 H new ATOM 0 HH TYR A 115 9.770 -11.319 -6.880 1.00 0.00 H new ATOM 1838 N ILE A 116 1.257 -11.369 -9.120 1.00 0.00 N ATOM 1839 CA ILE A 116 -0.213 -11.303 -9.257 1.00 0.00 C ATOM 1840 C ILE A 116 -0.760 -12.341 -10.241 1.00 0.00 C ATOM 1841 O ILE A 116 -1.629 -13.142 -9.880 1.00 0.00 O ATOM 1842 CB ILE A 116 -0.703 -9.880 -9.684 1.00 0.00 C ATOM 1843 CG1 ILE A 116 -0.040 -8.784 -8.847 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -2.209 -9.778 -9.553 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.229 -8.955 -7.353 1.00 0.00 C ATOM 0 H ILE A 116 1.706 -10.453 -9.089 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.604 -11.529 -8.265 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.418 -9.735 -10.726 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.027 -8.766 -9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.444 -7.817 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.534 -8.782 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.681 -10.523 -10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.497 -9.956 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.269 -8.140 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.293 -8.942 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.201 -9.906 -7.038 1.00 0.00 H new ATOM 1857 N SER A 117 -0.265 -12.314 -11.469 1.00 0.00 N ATOM 1858 CA SER A 117 -0.713 -13.229 -12.521 1.00 0.00 C ATOM 1859 C SER A 117 -0.713 -14.708 -12.084 1.00 0.00 C ATOM 1860 O SER A 117 -1.592 -15.474 -12.501 1.00 0.00 O ATOM 1861 CB SER A 117 0.122 -13.038 -13.773 1.00 0.00 C ATOM 1862 OG SER A 117 0.772 -11.750 -13.769 1.00 0.00 O ATOM 0 H SER A 117 0.458 -11.660 -11.769 1.00 0.00 H new ATOM 0 HA SER A 117 -1.752 -12.976 -12.735 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.871 -13.827 -13.839 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.513 -13.126 -14.655 1.00 0.00 H new ATOM 0 HG SER A 117 1.744 -11.874 -13.735 1.00 0.00 H new ATOM 1868 N THR A 118 0.218 -15.090 -11.211 1.00 0.00 N ATOM 1869 CA THR A 118 0.266 -16.449 -10.688 1.00 0.00 C ATOM 1870 C THR A 118 -0.684 -16.629 -9.502 1.00 0.00 C ATOM 1871 O THR A 118 -1.210 -17.718 -9.278 1.00 0.00 O ATOM 1872 CB THR A 118 1.685 -16.808 -10.311 1.00 0.00 C ATOM 1873 OG1 THR A 118 2.572 -16.560 -11.400 1.00 0.00 O ATOM 1874 CG2 THR A 118 1.888 -18.240 -9.858 1.00 0.00 C ATOM 0 H THR A 118 0.948 -14.475 -10.853 1.00 0.00 H new ATOM 0 HA THR A 118 -0.069 -17.129 -11.471 1.00 0.00 H new ATOM 0 HB THR A 118 1.904 -16.169 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.486 -16.796 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.938 -18.398 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.274 -18.434 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.598 -18.920 -10.659 1.00 0.00 H new ATOM 1882 N LEU A 119 -0.931 -15.551 -8.765 1.00 0.00 N ATOM 1883 CA LEU A 119 -1.834 -15.594 -7.631 1.00 0.00 C ATOM 1884 C LEU A 119 -3.294 -15.646 -8.075 1.00 0.00 C ATOM 1885 O LEU A 119 -4.096 -16.390 -7.507 1.00 0.00 O ATOM 1886 CB LEU A 119 -1.604 -14.396 -6.715 1.00 0.00 C ATOM 1887 CG LEU A 119 -1.895 -14.651 -5.229 1.00 0.00 C ATOM 1888 CD1 LEU A 119 -1.106 -15.842 -4.717 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -1.611 -13.420 -4.390 1.00 0.00 C ATOM 0 H LEU A 119 -0.515 -14.636 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.620 -16.509 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.568 -14.073 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.230 -13.571 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.957 -14.880 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.330 -16.001 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.380 -16.731 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.040 -15.650 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.828 -13.635 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.562 -13.143 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.239 -12.596 -4.729 1.00 0.00 H new ATOM 1901 N MET A 120 -3.646 -14.841 -9.064 1.00 0.00 N ATOM 1902 CA MET A 120 -5.027 -14.787 -9.551 1.00 0.00 C ATOM 1903 C MET A 120 -5.183 -15.540 -10.871 1.00 0.00 C ATOM 1904 O MET A 120 -5.273 -14.918 -11.948 1.00 0.00 O ATOM 1905 CB MET A 120 -5.501 -13.324 -9.695 1.00 0.00 C ATOM 1906 CG MET A 120 -4.520 -12.400 -10.426 1.00 0.00 C ATOM 1907 SD MET A 120 -5.295 -10.914 -11.093 1.00 0.00 S ATOM 1908 CE MET A 120 -6.647 -10.694 -9.947 1.00 0.00 C ATOM 0 H MET A 120 -3.002 -14.216 -9.548 1.00 0.00 H new ATOM 0 HA MET A 120 -5.658 -15.281 -8.812 1.00 0.00 H new ATOM 0 HB2 MET A 120 -6.452 -13.316 -10.228 1.00 0.00 H new ATOM 0 HB3 MET A 120 -5.689 -12.918 -8.701 1.00 0.00 H new ATOM 0 HG2 MET A 120 -3.726 -12.109 -9.738 1.00 0.00 H new ATOM 0 HG3 MET A 120 -4.050 -12.952 -11.240 1.00 0.00 H new ATOM 0 HE1 MET A 120 -7.068 -9.696 -10.068 1.00 0.00 H new ATOM 0 HE2 MET A 120 -7.417 -11.439 -10.146 1.00 0.00 H new ATOM 0 HE3 MET A 120 -6.282 -10.813 -8.927 1.00 0.00 H new ATOM 1918 N LYS A 121 -5.229 -16.873 -10.806 1.00 0.00 N ATOM 1919 CA LYS A 121 -5.400 -17.663 -12.017 1.00 0.00 C ATOM 1920 C LYS A 121 -6.757 -17.390 -12.649 1.00 0.00 C ATOM 1921 O LYS A 121 -6.831 -16.746 -13.701 1.00 0.00 O ATOM 1922 CB LYS A 121 -5.186 -19.152 -11.771 1.00 0.00 C ATOM 1923 CG LYS A 121 -4.375 -19.811 -12.862 1.00 0.00 C ATOM 1924 CD LYS A 121 -3.992 -21.221 -12.519 1.00 0.00 C ATOM 1925 CE LYS A 121 -2.671 -21.556 -13.163 1.00 0.00 C ATOM 1926 NZ LYS A 121 -2.678 -21.345 -14.638 1.00 0.00 N ATOM 0 H LYS A 121 -5.152 -17.414 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.628 -17.353 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.681 -19.290 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -6.154 -19.647 -11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.949 -19.809 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.473 -19.227 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.921 -21.336 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.762 -21.912 -12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.888 -20.943 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -2.422 -22.596 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.855 -21.820 -15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -3.551 -21.741 -15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.633 -20.326 -14.843 1.00 0.00 H new ATOM 1940 N THR A 122 -7.832 -17.816 -11.987 1.00 0.00 N ATOM 1941 CA THR A 122 -9.165 -17.547 -12.460 1.00 0.00 C ATOM 1942 C THR A 122 -9.627 -16.176 -11.960 1.00 0.00 C ATOM 1943 O THR A 122 -9.406 -15.857 -10.782 1.00 0.00 O ATOM 1944 CB THR A 122 -10.157 -18.671 -12.048 1.00 0.00 C ATOM 1945 OG1 THR A 122 -11.495 -18.417 -12.520 1.00 0.00 O ATOM 1946 CG2 THR A 122 -10.239 -18.920 -10.551 1.00 0.00 C ATOM 1947 OXT THR A 122 -10.206 -15.429 -12.740 1.00 0.00 O ATOM 0 H THR A 122 -7.792 -18.350 -11.119 1.00 0.00 H new ATOM 0 HA THR A 122 -9.148 -17.530 -13.550 1.00 0.00 H new ATOM 0 HB THR A 122 -9.741 -19.560 -12.522 1.00 0.00 H new ATOM 0 HG1 THR A 122 -12.085 -19.148 -12.240 1.00 0.00 H new ATOM 0 HG21 THR A 122 -10.954 -19.719 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 122 -9.257 -19.210 -10.176 1.00 0.00 H new ATOM 0 HG23 THR A 122 -10.565 -18.010 -10.048 1.00 0.00 H new TER 1955 THR A 122