USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1288 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 42 THR OG1 : rot 180:sc=-0.000429 USER MOD Set 1.2: B 68 SER OG : rot -81:sc= 0.989 USER MOD Set 2.1: B 9 ASN : amide:sc= -0.116 K(o=-0.11,f=-3.7!) USER MOD Set 2.2: B 10 THR OG1 : rot 180:sc= 0.00978 USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: B 48 LYS NZ :NH3+ 163:sc= -0.0245 (180deg=-0.291) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -179:sc= 1.38 (180deg=1.37) USER MOD Set 4.2: A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.597) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0521 (180deg=-0.324) USER MOD Single : A 4 GLN : amide:sc= -0.0243 K(o=-0.024,f=-0.53) USER MOD Single : A 5 SER OG : rot -10:sc= 1.03 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0064 K(o=-0.0064,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.077 K(o=-0.077,f=-0.67) USER MOD Single : A 14 SER OG : rot -85:sc= 1.14 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0695 (180deg=-0.398) USER MOD Single : A 26 HIS : no HD1:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc=-0.00317 (180deg=-0.144) USER MOD Single : A 33 SER OG : rot 64:sc= 1.24 USER MOD Single : A 35 MET CE :methyl -162:sc= -0.0424 (180deg=-0.378) USER MOD Single : A 39 ASN : amide:sc= 1.18 K(o=1.2,f=-0.087) USER MOD Single : A 40 CYS SG : rot 70:sc= -1.76! USER MOD Single : A 43 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.0036) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.06) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -160:sc= -0.368 USER MOD Single : A 55 GLN : amide:sc= -0.23 K(o=-0.23,f=-3.5!) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= -0.149 (180deg=-1.88!) USER MOD Single : A 67 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-1.3) USER MOD Single : A 68 SER OG : rot 64:sc= 1.2 USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= -1.86! (180deg=-4.16!) USER MOD Single : A 71 SER OG : rot -34:sc= 0.559 USER MOD Single : A 72 ASN : amide:sc= -0.639 K(o=-0.64,f=-2.3) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.077 X(o=-0.077,f=0.0088) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.012) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 169:sc= -0.114 (180deg=-0.217) USER MOD Single : B 4 GLN : amide:sc= -1.45 K(o=-1.5,f=-6.7!) USER MOD Single : B 5 SER OG : rot 53:sc= 0.0274 USER MOD Single : B 6 LYS NZ :NH3+ 167:sc= -0.0964 (180deg=-0.366) USER MOD Single : B 7 TYR OH : rot 166:sc= 0 USER MOD Single : B 8 SER OG : rot 180:sc= 0.0152 USER MOD Single : B 11 GLN : amide:sc=-0.00786 K(o=-0.0079,f=-0.65) USER MOD Single : B 14 SER OG : rot 70:sc= 1.29 USER MOD Single : B 25 LYS NZ :NH3+ -166:sc= -0.0189 (180deg=-0.225) USER MOD Single : B 26 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-6.4!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00545 USER MOD Single : B 33 SER OG : rot 180:sc= -0.145 USER MOD Single : B 35 MET CE :methyl 162:sc= -0.135 (180deg=-0.681) USER MOD Single : B 39 ASN : amide:sc= 1.08 K(o=1.1,f=-0.16) USER MOD Single : B 40 CYS SG : rot 73:sc= 0.237 USER MOD Single : B 42 THR OG1 : rot 86:sc= 1.19 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0.0306 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN :FLIP amide:sc= -0.911 F(o=-1.7!,f=-0.91) USER MOD Single : B 60 GLN :FLIP amide:sc= -0.0382 F(o=-2!,f=-0.038) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 70 LYS NZ :NH3+ -162:sc= 1.18 (180deg=1.02) USER MOD Single : B 71 SER OG : rot -96:sc= 1.23 USER MOD Single : B 72 ASN : amide:sc= 0.52 K(o=0.52,f=-0.6) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HE2:sc= 0.449 K(o=0.45,f=-4.7!) USER MOD Single : B 77 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0.024) USER MOD Single : B 78 HIS : no HD1:sc= -0.545 X(o=-0.54,f=-0.38) USER MOD Single : B 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.893 27.522 1.702 1.00 0.00 N ATOM 2 CA MET A 1 -9.530 26.084 1.721 1.00 0.00 C ATOM 3 C MET A 1 -8.037 25.900 1.450 1.00 0.00 C ATOM 4 O MET A 1 -7.620 24.884 0.892 1.00 0.00 O ATOM 5 CB MET A 1 -10.365 25.294 0.701 1.00 0.00 C ATOM 6 CG MET A 1 -10.160 25.712 -0.746 1.00 0.00 C ATOM 7 SD MET A 1 -11.141 24.715 -1.888 1.00 0.00 S ATOM 8 CE MET A 1 -10.700 25.466 -3.454 1.00 0.00 C ATOM 0 H1 MET A 1 -10.927 27.618 1.650 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.546 27.979 2.569 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.461 27.978 0.873 1.00 0.00 H new ATOM 0 HA MET A 1 -9.750 25.694 2.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.124 24.235 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.420 25.405 0.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.428 26.762 -0.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.104 25.622 -1.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.522 25.346 -4.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.502 26.527 -3.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.807 24.982 -3.851 1.00 0.00 H new ATOM 20 N ALA A 2 -7.241 26.893 1.867 1.00 0.00 N ATOM 21 CA ALA A 2 -5.777 26.856 1.764 1.00 0.00 C ATOM 22 C ALA A 2 -5.288 26.965 0.320 1.00 0.00 C ATOM 23 O ALA A 2 -4.653 27.950 -0.051 1.00 0.00 O ATOM 24 CB ALA A 2 -5.206 25.610 2.436 1.00 0.00 C ATOM 0 H ALA A 2 -7.598 27.751 2.288 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.407 27.734 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.120 25.612 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.480 25.608 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.610 24.719 1.955 1.00 0.00 H new ATOM 30 N ILE A 3 -5.582 25.961 -0.491 1.00 0.00 N ATOM 31 CA ILE A 3 -5.078 25.912 -1.856 1.00 0.00 C ATOM 32 C ILE A 3 -6.209 25.767 -2.867 1.00 0.00 C ATOM 33 O ILE A 3 -7.161 25.014 -2.651 1.00 0.00 O ATOM 34 CB ILE A 3 -4.074 24.753 -2.041 1.00 0.00 C ATOM 35 CG1 ILE A 3 -4.663 23.446 -1.493 1.00 0.00 C ATOM 36 CG2 ILE A 3 -2.753 25.083 -1.360 1.00 0.00 C ATOM 37 CD1 ILE A 3 -3.730 22.261 -1.604 1.00 0.00 C ATOM 0 H ILE A 3 -6.167 25.168 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.567 26.858 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.883 24.620 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.929 23.590 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.585 23.222 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.056 24.257 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.334 25.989 -1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.922 25.240 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.217 21.375 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.483 22.089 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.817 22.463 -1.044 1.00 0.00 H new ATOM 49 N GLN A 4 -6.098 26.497 -3.968 1.00 0.00 N ATOM 50 CA GLN A 4 -7.094 26.452 -5.029 1.00 0.00 C ATOM 51 C GLN A 4 -6.879 25.232 -5.928 1.00 0.00 C ATOM 52 O GLN A 4 -6.316 25.335 -7.019 1.00 0.00 O ATOM 53 CB GLN A 4 -7.045 27.754 -5.845 1.00 0.00 C ATOM 54 CG GLN A 4 -7.980 27.782 -7.047 1.00 0.00 C ATOM 55 CD GLN A 4 -9.429 27.552 -6.680 1.00 0.00 C ATOM 56 OE1 GLN A 4 -9.878 27.914 -5.593 1.00 0.00 O ATOM 57 NE2 GLN A 4 -10.165 26.926 -7.582 1.00 0.00 N ATOM 0 H GLN A 4 -5.321 27.132 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.083 26.359 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.292 28.589 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.024 27.913 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.887 28.745 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.667 27.020 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.752 26.644 -8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.146 26.725 -7.389 1.00 0.00 H new ATOM 66 N SER A 5 -7.292 24.071 -5.434 1.00 0.00 N ATOM 67 CA SER A 5 -7.249 22.828 -6.202 1.00 0.00 C ATOM 68 C SER A 5 -8.166 21.787 -5.558 1.00 0.00 C ATOM 69 O SER A 5 -9.335 21.660 -5.922 1.00 0.00 O ATOM 70 CB SER A 5 -5.816 22.266 -6.288 1.00 0.00 C ATOM 71 OG SER A 5 -4.935 23.159 -6.944 1.00 0.00 O ATOM 0 H SER A 5 -7.666 23.962 -4.491 1.00 0.00 H new ATOM 0 HA SER A 5 -7.590 23.049 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.445 22.063 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.831 21.315 -6.820 1.00 0.00 H new ATOM 0 HG SER A 5 -5.450 23.884 -7.355 1.00 0.00 H new ATOM 77 N LYS A 6 -7.608 21.069 -4.584 1.00 0.00 N ATOM 78 CA LYS A 6 -8.311 20.036 -3.820 1.00 0.00 C ATOM 79 C LYS A 6 -7.312 19.409 -2.858 1.00 0.00 C ATOM 80 O LYS A 6 -7.628 19.091 -1.714 1.00 0.00 O ATOM 81 CB LYS A 6 -8.946 18.976 -4.743 1.00 0.00 C ATOM 82 CG LYS A 6 -7.980 18.285 -5.702 1.00 0.00 C ATOM 83 CD LYS A 6 -8.730 17.592 -6.834 1.00 0.00 C ATOM 84 CE LYS A 6 -9.647 16.491 -6.321 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.949 15.186 -6.194 1.00 0.00 N ATOM 0 H LYS A 6 -6.637 21.190 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.135 20.484 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.422 18.217 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.734 19.451 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.288 19.018 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.382 17.554 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.318 18.328 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.013 17.168 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.050 16.780 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.494 16.382 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.619 14.465 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.572 14.902 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.167 15.275 -5.514 1.00 0.00 H new ATOM 99 N TYR A 7 -6.099 19.251 -3.365 1.00 0.00 N ATOM 100 CA TYR A 7 -4.923 18.935 -2.572 1.00 0.00 C ATOM 101 C TYR A 7 -3.701 19.181 -3.441 1.00 0.00 C ATOM 102 O TYR A 7 -3.842 19.445 -4.635 1.00 0.00 O ATOM 103 CB TYR A 7 -4.942 17.495 -2.029 1.00 0.00 C ATOM 104 CG TYR A 7 -5.218 16.424 -3.062 1.00 0.00 C ATOM 105 CD1 TYR A 7 -4.238 16.011 -3.956 1.00 0.00 C ATOM 106 CD2 TYR A 7 -6.462 15.817 -3.126 1.00 0.00 C ATOM 107 CE1 TYR A 7 -4.496 15.027 -4.891 1.00 0.00 C ATOM 108 CE2 TYR A 7 -6.728 14.834 -4.055 1.00 0.00 C ATOM 109 CZ TYR A 7 -5.743 14.441 -4.934 1.00 0.00 C ATOM 110 OH TYR A 7 -6.012 13.465 -5.864 1.00 0.00 O ATOM 0 H TYR A 7 -5.901 19.341 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.903 19.576 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.980 17.287 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.699 17.428 -1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.259 16.466 -3.920 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.236 16.119 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.726 14.719 -5.583 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.704 14.374 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.189 12.975 -6.071 1.00 0.00 H new ATOM 120 N SER A 8 -2.519 19.120 -2.860 1.00 0.00 N ATOM 121 CA SER A 8 -1.310 19.409 -3.607 1.00 0.00 C ATOM 122 C SER A 8 -0.181 18.499 -3.145 1.00 0.00 C ATOM 123 O SER A 8 -0.319 17.800 -2.139 1.00 0.00 O ATOM 124 CB SER A 8 -0.929 20.883 -3.435 1.00 0.00 C ATOM 125 OG SER A 8 0.052 21.280 -4.378 1.00 0.00 O ATOM 0 H SER A 8 -2.370 18.875 -1.881 1.00 0.00 H new ATOM 0 HA SER A 8 -1.488 19.222 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.817 21.505 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.552 21.047 -2.425 1.00 0.00 H new ATOM 0 HG SER A 8 0.272 22.225 -4.243 1.00 0.00 H new ATOM 131 N ASN A 9 0.930 18.518 -3.869 1.00 0.00 N ATOM 132 CA ASN A 9 2.062 17.649 -3.566 1.00 0.00 C ATOM 133 C ASN A 9 2.614 17.933 -2.175 1.00 0.00 C ATOM 134 O ASN A 9 2.984 17.014 -1.452 1.00 0.00 O ATOM 135 CB ASN A 9 3.168 17.808 -4.614 1.00 0.00 C ATOM 136 CG ASN A 9 2.760 17.267 -5.973 1.00 0.00 C ATOM 137 OD1 ASN A 9 1.961 16.333 -6.069 1.00 0.00 O ATOM 138 ND2 ASN A 9 3.307 17.842 -7.033 1.00 0.00 N ATOM 0 H ASN A 9 1.073 19.128 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 9 1.704 16.620 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.426 18.863 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.064 17.290 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.071 17.514 -7.970 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.964 18.613 -6.913 1.00 0.00 H new ATOM 145 N THR A 10 2.648 19.207 -1.800 1.00 0.00 N ATOM 146 CA THR A 10 3.092 19.607 -0.469 1.00 0.00 C ATOM 147 C THR A 10 2.192 18.996 0.614 1.00 0.00 C ATOM 148 O THR A 10 2.653 18.662 1.706 1.00 0.00 O ATOM 149 CB THR A 10 3.114 21.149 -0.327 1.00 0.00 C ATOM 150 OG1 THR A 10 3.716 21.529 0.915 1.00 0.00 O ATOM 151 CG2 THR A 10 1.711 21.734 -0.410 1.00 0.00 C ATOM 0 H THR A 10 2.372 19.983 -2.401 1.00 0.00 H new ATOM 0 HA THR A 10 4.107 19.232 -0.336 1.00 0.00 H new ATOM 0 HB THR A 10 3.704 21.545 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.724 22.506 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.762 22.818 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.268 21.482 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.097 21.322 0.391 1.00 0.00 H new ATOM 159 N GLN A 11 0.912 18.824 0.292 1.00 0.00 N ATOM 160 CA GLN A 11 -0.043 18.265 1.239 1.00 0.00 C ATOM 161 C GLN A 11 0.138 16.755 1.320 1.00 0.00 C ATOM 162 O GLN A 11 -0.031 16.150 2.376 1.00 0.00 O ATOM 163 CB GLN A 11 -1.479 18.608 0.822 1.00 0.00 C ATOM 164 CG GLN A 11 -2.523 18.212 1.856 1.00 0.00 C ATOM 165 CD GLN A 11 -2.405 19.004 3.147 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.007 20.170 3.145 1.00 0.00 O ATOM 167 NE2 GLN A 11 -2.734 18.369 4.260 1.00 0.00 N ATOM 0 H GLN A 11 0.515 19.064 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 11 0.140 18.700 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.549 19.680 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.704 18.108 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.518 18.358 1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.424 17.149 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.059 17.403 4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.662 18.845 5.159 1.00 0.00 H new ATOM 176 N VAL A 12 0.489 16.154 0.194 1.00 0.00 N ATOM 177 CA VAL A 12 0.771 14.728 0.149 1.00 0.00 C ATOM 178 C VAL A 12 2.069 14.433 0.892 1.00 0.00 C ATOM 179 O VAL A 12 2.145 13.491 1.679 1.00 0.00 O ATOM 180 CB VAL A 12 0.878 14.211 -1.304 1.00 0.00 C ATOM 181 CG1 VAL A 12 1.131 12.711 -1.331 1.00 0.00 C ATOM 182 CG2 VAL A 12 -0.377 14.555 -2.092 1.00 0.00 C ATOM 0 H VAL A 12 0.585 16.632 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.059 14.211 0.630 1.00 0.00 H new ATOM 0 HB VAL A 12 1.727 14.707 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.202 12.373 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.064 12.490 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.309 12.194 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.280 14.182 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.243 14.093 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.509 15.637 -2.113 1.00 0.00 H new ATOM 192 N GLU A 13 3.074 15.268 0.652 1.00 0.00 N ATOM 193 CA GLU A 13 4.382 15.122 1.282 1.00 0.00 C ATOM 194 C GLU A 13 4.264 15.183 2.804 1.00 0.00 C ATOM 195 O GLU A 13 4.770 14.309 3.511 1.00 0.00 O ATOM 196 CB GLU A 13 5.323 16.225 0.791 1.00 0.00 C ATOM 197 CG GLU A 13 6.774 16.027 1.196 1.00 0.00 C ATOM 198 CD GLU A 13 7.414 14.846 0.500 1.00 0.00 C ATOM 199 OE1 GLU A 13 7.650 14.932 -0.727 1.00 0.00 O ATOM 200 OE2 GLU A 13 7.711 13.838 1.174 1.00 0.00 O ATOM 0 H GLU A 13 3.006 16.063 0.017 1.00 0.00 H new ATOM 0 HA GLU A 13 4.788 14.149 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.265 16.281 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.976 17.183 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.339 16.930 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.830 15.883 2.275 1.00 0.00 H new ATOM 207 N SER A 14 3.584 16.210 3.303 1.00 0.00 N ATOM 208 CA SER A 14 3.413 16.384 4.741 1.00 0.00 C ATOM 209 C SER A 14 2.606 15.233 5.348 1.00 0.00 C ATOM 210 O SER A 14 2.818 14.852 6.502 1.00 0.00 O ATOM 211 CB SER A 14 2.747 17.730 5.029 1.00 0.00 C ATOM 212 OG SER A 14 1.652 17.953 4.155 1.00 0.00 O ATOM 0 H SER A 14 3.143 16.933 2.734 1.00 0.00 H new ATOM 0 HA SER A 14 4.398 16.373 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.403 17.756 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.476 18.532 4.916 1.00 0.00 H new ATOM 0 HG SER A 14 1.976 18.347 3.318 1.00 0.00 H new ATOM 218 N LEU A 15 1.689 14.676 4.566 1.00 0.00 N ATOM 219 CA LEU A 15 0.924 13.516 5.004 1.00 0.00 C ATOM 220 C LEU A 15 1.810 12.282 5.072 1.00 0.00 C ATOM 221 O LEU A 15 1.808 11.568 6.073 1.00 0.00 O ATOM 222 CB LEU A 15 -0.256 13.259 4.072 1.00 0.00 C ATOM 223 CG LEU A 15 -1.617 13.654 4.636 1.00 0.00 C ATOM 224 CD1 LEU A 15 -1.666 15.140 4.955 1.00 0.00 C ATOM 225 CD2 LEU A 15 -2.715 13.279 3.661 1.00 0.00 C ATOM 0 H LEU A 15 1.458 15.007 3.629 1.00 0.00 H new ATOM 0 HA LEU A 15 0.539 13.728 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.092 13.804 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.277 12.199 3.820 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.774 13.109 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.647 15.394 5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.900 15.379 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.486 15.713 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.682 13.566 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.556 13.799 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.698 12.203 3.490 1.00 0.00 H new ATOM 237 N ILE A 16 2.564 12.042 4.002 1.00 0.00 N ATOM 238 CA ILE A 16 3.502 10.927 3.952 1.00 0.00 C ATOM 239 C ILE A 16 4.459 10.994 5.136 1.00 0.00 C ATOM 240 O ILE A 16 4.773 9.975 5.752 1.00 0.00 O ATOM 241 CB ILE A 16 4.308 10.921 2.629 1.00 0.00 C ATOM 242 CG1 ILE A 16 3.373 10.700 1.437 1.00 0.00 C ATOM 243 CG2 ILE A 16 5.394 9.851 2.656 1.00 0.00 C ATOM 244 CD1 ILE A 16 4.069 10.788 0.094 1.00 0.00 C ATOM 0 H ILE A 16 2.542 12.609 3.154 1.00 0.00 H new ATOM 0 HA ILE A 16 2.923 10.005 4.001 1.00 0.00 H new ATOM 0 HB ILE A 16 4.791 11.892 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.905 9.720 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.573 11.440 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.945 9.868 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.078 10.048 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.936 8.871 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.344 10.621 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.514 11.776 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.850 10.030 0.039 1.00 0.00 H new ATOM 256 N ALA A 17 4.895 12.207 5.459 1.00 0.00 N ATOM 257 CA ALA A 17 5.759 12.433 6.607 1.00 0.00 C ATOM 258 C ALA A 17 5.127 11.883 7.885 1.00 0.00 C ATOM 259 O ALA A 17 5.752 11.099 8.594 1.00 0.00 O ATOM 260 CB ALA A 17 6.062 13.915 6.755 1.00 0.00 C ATOM 0 H ALA A 17 4.661 13.052 4.937 1.00 0.00 H new ATOM 0 HA ALA A 17 6.695 11.900 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.710 14.070 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.563 14.275 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.131 14.464 6.897 1.00 0.00 H new ATOM 266 N GLU A 18 3.877 12.272 8.154 1.00 0.00 N ATOM 267 CA GLU A 18 3.158 11.802 9.344 1.00 0.00 C ATOM 268 C GLU A 18 3.107 10.276 9.382 1.00 0.00 C ATOM 269 O GLU A 18 3.362 9.651 10.416 1.00 0.00 O ATOM 270 CB GLU A 18 1.727 12.347 9.363 1.00 0.00 C ATOM 271 CG GLU A 18 1.629 13.845 9.588 1.00 0.00 C ATOM 272 CD GLU A 18 2.056 14.259 10.980 1.00 0.00 C ATOM 273 OE1 GLU A 18 1.200 14.272 11.892 1.00 0.00 O ATOM 274 OE2 GLU A 18 3.248 14.579 11.174 1.00 0.00 O ATOM 0 H GLU A 18 3.342 12.910 7.565 1.00 0.00 H new ATOM 0 HA GLU A 18 3.698 12.167 10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.245 12.102 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.167 11.837 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.250 14.359 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.602 14.167 9.417 1.00 0.00 H new ATOM 281 N ILE A 19 2.782 9.690 8.238 1.00 0.00 N ATOM 282 CA ILE A 19 2.646 8.247 8.116 1.00 0.00 C ATOM 283 C ILE A 19 3.985 7.551 8.365 1.00 0.00 C ATOM 284 O ILE A 19 4.062 6.565 9.105 1.00 0.00 O ATOM 285 CB ILE A 19 2.116 7.866 6.718 1.00 0.00 C ATOM 286 CG1 ILE A 19 0.872 8.690 6.381 1.00 0.00 C ATOM 287 CG2 ILE A 19 1.788 6.386 6.661 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.427 8.560 4.943 1.00 0.00 C ATOM 0 H ILE A 19 2.606 10.200 7.372 1.00 0.00 H new ATOM 0 HA ILE A 19 1.931 7.916 8.869 1.00 0.00 H new ATOM 0 HB ILE A 19 2.893 8.081 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.055 8.382 7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.073 9.739 6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.415 6.134 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.687 5.806 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.026 6.153 7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.460 9.172 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.227 8.896 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.193 7.518 4.727 1.00 0.00 H new ATOM 300 N LEU A 20 5.041 8.083 7.761 1.00 0.00 N ATOM 301 CA LEU A 20 6.377 7.524 7.927 1.00 0.00 C ATOM 302 C LEU A 20 6.865 7.693 9.360 1.00 0.00 C ATOM 303 O LEU A 20 7.586 6.841 9.872 1.00 0.00 O ATOM 304 CB LEU A 20 7.369 8.167 6.954 1.00 0.00 C ATOM 305 CG LEU A 20 7.128 7.860 5.475 1.00 0.00 C ATOM 306 CD1 LEU A 20 8.182 8.537 4.614 1.00 0.00 C ATOM 307 CD2 LEU A 20 7.125 6.358 5.232 1.00 0.00 C ATOM 0 H LEU A 20 4.998 8.900 7.152 1.00 0.00 H new ATOM 0 HA LEU A 20 6.317 6.459 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.340 9.248 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.375 7.839 7.217 1.00 0.00 H new ATOM 0 HG LEU A 20 6.150 8.253 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.996 8.309 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.137 9.616 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.170 8.173 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.952 6.161 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.088 5.940 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.333 5.896 5.821 1.00 0.00 H new ATOM 319 N VAL A 21 6.463 8.786 10.008 1.00 0.00 N ATOM 320 CA VAL A 21 6.807 9.012 11.407 1.00 0.00 C ATOM 321 C VAL A 21 6.282 7.869 12.273 1.00 0.00 C ATOM 322 O VAL A 21 6.981 7.389 13.161 1.00 0.00 O ATOM 323 CB VAL A 21 6.265 10.364 11.933 1.00 0.00 C ATOM 324 CG1 VAL A 21 6.386 10.455 13.450 1.00 0.00 C ATOM 325 CG2 VAL A 21 7.010 11.521 11.284 1.00 0.00 C ATOM 0 H VAL A 21 5.901 9.525 9.586 1.00 0.00 H new ATOM 0 HA VAL A 21 7.895 9.048 11.469 1.00 0.00 H new ATOM 0 HB VAL A 21 5.209 10.425 11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.997 11.415 13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.814 9.649 13.910 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.434 10.366 13.737 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.618 12.465 11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.072 11.448 11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.875 11.480 10.203 1.00 0.00 H new ATOM 335 N VAL A 22 5.060 7.423 11.999 1.00 0.00 N ATOM 336 CA VAL A 22 4.487 6.281 12.709 1.00 0.00 C ATOM 337 C VAL A 22 5.360 5.041 12.525 1.00 0.00 C ATOM 338 O VAL A 22 5.698 4.352 13.497 1.00 0.00 O ATOM 339 CB VAL A 22 3.054 5.976 12.229 1.00 0.00 C ATOM 340 CG1 VAL A 22 2.511 4.722 12.899 1.00 0.00 C ATOM 341 CG2 VAL A 22 2.146 7.159 12.504 1.00 0.00 C ATOM 0 H VAL A 22 4.448 7.832 11.293 1.00 0.00 H new ATOM 0 HA VAL A 22 4.448 6.544 13.766 1.00 0.00 H new ATOM 0 HB VAL A 22 3.084 5.799 11.154 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.499 4.529 12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.150 3.873 12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.495 4.865 13.980 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.137 6.931 12.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.127 7.362 13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.520 8.035 11.975 1.00 0.00 H new ATOM 351 N LEU A 23 5.723 4.766 11.277 1.00 0.00 N ATOM 352 CA LEU A 23 6.638 3.668 10.965 1.00 0.00 C ATOM 353 C LEU A 23 7.983 3.842 11.679 1.00 0.00 C ATOM 354 O LEU A 23 8.612 2.862 12.078 1.00 0.00 O ATOM 355 CB LEU A 23 6.858 3.573 9.454 1.00 0.00 C ATOM 356 CG LEU A 23 5.598 3.298 8.634 1.00 0.00 C ATOM 357 CD1 LEU A 23 5.927 3.262 7.151 1.00 0.00 C ATOM 358 CD2 LEU A 23 4.950 1.992 9.069 1.00 0.00 C ATOM 0 H LEU A 23 5.399 5.287 10.463 1.00 0.00 H new ATOM 0 HA LEU A 23 6.182 2.744 11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.303 4.506 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.582 2.782 9.256 1.00 0.00 H new ATOM 0 HG LEU A 23 4.889 4.107 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.019 3.065 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.345 4.222 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.654 2.473 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.055 1.814 8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.652 1.171 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.678 2.054 10.123 1.00 0.00 H new ATOM 370 N GLU A 24 8.414 5.091 11.830 1.00 0.00 N ATOM 371 CA GLU A 24 9.661 5.404 12.525 1.00 0.00 C ATOM 372 C GLU A 24 9.537 5.170 14.028 1.00 0.00 C ATOM 373 O GLU A 24 10.422 4.573 14.640 1.00 0.00 O ATOM 374 CB GLU A 24 10.075 6.858 12.269 1.00 0.00 C ATOM 375 CG GLU A 24 10.557 7.120 10.854 1.00 0.00 C ATOM 376 CD GLU A 24 11.768 6.289 10.498 1.00 0.00 C ATOM 377 OE1 GLU A 24 12.887 6.652 10.918 1.00 0.00 O ATOM 378 OE2 GLU A 24 11.609 5.266 9.803 1.00 0.00 O ATOM 0 H GLU A 24 7.915 5.908 11.478 1.00 0.00 H new ATOM 0 HA GLU A 24 10.426 4.735 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.227 7.509 12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.866 7.129 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.752 6.904 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.800 8.177 10.745 1.00 0.00 H new ATOM 385 N LYS A 25 8.438 5.642 14.613 1.00 0.00 N ATOM 386 CA LYS A 25 8.218 5.535 16.057 1.00 0.00 C ATOM 387 C LYS A 25 8.301 4.091 16.526 1.00 0.00 C ATOM 388 O LYS A 25 8.953 3.788 17.523 1.00 0.00 O ATOM 389 CB LYS A 25 6.861 6.128 16.444 1.00 0.00 C ATOM 390 CG LYS A 25 6.734 7.612 16.142 1.00 0.00 C ATOM 391 CD LYS A 25 5.398 8.170 16.603 1.00 0.00 C ATOM 392 CE LYS A 25 5.296 8.198 18.121 1.00 0.00 C ATOM 393 NZ LYS A 25 6.325 9.081 18.728 1.00 0.00 N ATOM 0 H LYS A 25 7.682 6.104 14.108 1.00 0.00 H new ATOM 0 HA LYS A 25 9.008 6.102 16.549 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.075 5.590 15.914 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.695 5.968 17.509 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.543 8.153 16.633 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.846 7.776 15.070 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.270 9.179 16.211 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.589 7.564 16.195 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.304 8.543 18.412 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.409 7.187 18.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.048 9.318 19.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.242 8.590 18.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.407 9.954 18.169 1.00 0.00 H new ATOM 407 N HIS A 26 7.658 3.195 15.790 1.00 0.00 N ATOM 408 CA HIS A 26 7.658 1.784 16.148 1.00 0.00 C ATOM 409 C HIS A 26 8.849 1.068 15.520 1.00 0.00 C ATOM 410 O HIS A 26 9.076 -0.108 15.795 1.00 0.00 O ATOM 411 CB HIS A 26 6.359 1.103 15.700 1.00 0.00 C ATOM 412 CG HIS A 26 5.128 1.612 16.388 1.00 0.00 C ATOM 413 ND1 HIS A 26 4.841 1.347 17.709 1.00 0.00 N ATOM 414 CD2 HIS A 26 4.097 2.358 15.924 1.00 0.00 C ATOM 415 CE1 HIS A 26 3.688 1.903 18.027 1.00 0.00 C ATOM 416 NE2 HIS A 26 3.217 2.524 16.965 1.00 0.00 N ATOM 0 H HIS A 26 7.132 3.419 14.945 1.00 0.00 H new ATOM 0 HA HIS A 26 7.733 1.720 17.234 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.243 1.239 14.625 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.444 0.031 15.878 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.988 2.749 14.923 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.211 1.857 18.995 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.341 3.044 16.923 1.00 0.00 H new ATOM 425 N LYS A 27 9.607 1.812 14.702 1.00 0.00 N ATOM 426 CA LYS A 27 10.705 1.277 13.883 1.00 0.00 C ATOM 427 C LYS A 27 10.397 -0.121 13.353 1.00 0.00 C ATOM 428 O LYS A 27 10.957 -1.121 13.804 1.00 0.00 O ATOM 429 CB LYS A 27 12.062 1.314 14.611 1.00 0.00 C ATOM 430 CG LYS A 27 12.075 0.713 16.008 1.00 0.00 C ATOM 431 CD LYS A 27 13.499 0.517 16.500 1.00 0.00 C ATOM 432 CE LYS A 27 13.545 0.173 17.980 1.00 0.00 C ATOM 433 NZ LYS A 27 13.173 1.335 18.827 1.00 0.00 N ATOM 0 H LYS A 27 9.473 2.817 14.589 1.00 0.00 H new ATOM 0 HA LYS A 27 10.790 1.942 13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.796 0.787 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.390 2.351 14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.535 1.366 16.694 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.553 -0.244 16.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.975 -0.279 15.927 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.073 1.426 16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.867 -0.656 18.182 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.548 -0.164 18.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.440 1.145 19.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.672 2.183 18.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.146 1.492 18.770 1.00 0.00 H new ATOM 447 N ALA A 28 9.487 -0.174 12.395 1.00 0.00 N ATOM 448 CA ALA A 28 9.075 -1.433 11.806 1.00 0.00 C ATOM 449 C ALA A 28 10.131 -1.945 10.834 1.00 0.00 C ATOM 450 O ALA A 28 10.620 -1.195 9.986 1.00 0.00 O ATOM 451 CB ALA A 28 7.736 -1.268 11.100 1.00 0.00 C ATOM 0 H ALA A 28 9.019 0.645 12.008 1.00 0.00 H new ATOM 0 HA ALA A 28 8.963 -2.168 12.603 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.436 -2.220 10.661 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.983 -0.947 11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.829 -0.519 10.313 1.00 0.00 H new ATOM 457 N PRO A 29 10.516 -3.224 10.963 1.00 0.00 N ATOM 458 CA PRO A 29 11.448 -3.864 10.033 1.00 0.00 C ATOM 459 C PRO A 29 10.865 -3.947 8.625 1.00 0.00 C ATOM 460 O PRO A 29 9.654 -3.804 8.440 1.00 0.00 O ATOM 461 CB PRO A 29 11.650 -5.264 10.623 1.00 0.00 C ATOM 462 CG PRO A 29 10.472 -5.488 11.504 1.00 0.00 C ATOM 463 CD PRO A 29 10.085 -4.137 12.032 1.00 0.00 C ATOM 0 HA PRO A 29 12.379 -3.307 9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.704 -6.018 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.581 -5.323 11.187 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.650 -5.940 10.949 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.718 -6.169 12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.012 -4.067 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.583 -3.916 12.976 1.00 0.00 H new ATOM 471 N THR A 30 11.726 -4.188 7.646 1.00 0.00 N ATOM 472 CA THR A 30 11.332 -4.192 6.242 1.00 0.00 C ATOM 473 C THR A 30 10.155 -5.137 5.973 1.00 0.00 C ATOM 474 O THR A 30 9.191 -4.752 5.304 1.00 0.00 O ATOM 475 CB THR A 30 12.529 -4.571 5.351 1.00 0.00 C ATOM 476 OG1 THR A 30 13.637 -3.707 5.651 1.00 0.00 O ATOM 477 CG2 THR A 30 12.175 -4.458 3.875 1.00 0.00 C ATOM 0 H THR A 30 12.715 -4.386 7.801 1.00 0.00 H new ATOM 0 HA THR A 30 11.003 -3.182 5.997 1.00 0.00 H new ATOM 0 HB THR A 30 12.798 -5.607 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.401 -3.947 5.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.040 -4.732 3.271 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.347 -5.129 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.884 -3.432 3.648 1.00 0.00 H new ATOM 485 N ASP A 31 10.224 -6.353 6.509 1.00 0.00 N ATOM 486 CA ASP A 31 9.142 -7.325 6.347 1.00 0.00 C ATOM 487 C ASP A 31 7.837 -6.761 6.892 1.00 0.00 C ATOM 488 O ASP A 31 6.833 -6.690 6.184 1.00 0.00 O ATOM 489 CB ASP A 31 9.458 -8.641 7.071 1.00 0.00 C ATOM 490 CG ASP A 31 10.517 -9.476 6.377 1.00 0.00 C ATOM 491 OD1 ASP A 31 11.719 -9.290 6.667 1.00 0.00 O ATOM 492 OD2 ASP A 31 10.153 -10.339 5.552 1.00 0.00 O ATOM 0 H ASP A 31 11.015 -6.690 7.058 1.00 0.00 H new ATOM 0 HA ASP A 31 9.042 -7.526 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.790 -8.418 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.543 -9.228 7.157 1.00 0.00 H new ATOM 497 N LEU A 32 7.875 -6.334 8.149 1.00 0.00 N ATOM 498 CA LEU A 32 6.690 -5.828 8.831 1.00 0.00 C ATOM 499 C LEU A 32 6.153 -4.573 8.143 1.00 0.00 C ATOM 500 O LEU A 32 4.942 -4.351 8.106 1.00 0.00 O ATOM 501 CB LEU A 32 7.016 -5.535 10.299 1.00 0.00 C ATOM 502 CG LEU A 32 5.823 -5.154 11.179 1.00 0.00 C ATOM 503 CD1 LEU A 32 4.788 -6.269 11.191 1.00 0.00 C ATOM 504 CD2 LEU A 32 6.287 -4.843 12.595 1.00 0.00 C ATOM 0 H LEU A 32 8.720 -6.328 8.720 1.00 0.00 H new ATOM 0 HA LEU A 32 5.915 -6.593 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.495 -6.415 10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.745 -4.725 10.336 1.00 0.00 H new ATOM 0 HG LEU A 32 5.359 -4.260 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.948 -5.979 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.434 -6.448 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.239 -7.180 11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.427 -4.574 13.209 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.775 -5.721 13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.991 -4.012 12.573 1.00 0.00 H new ATOM 516 N SER A 33 7.053 -3.769 7.587 1.00 0.00 N ATOM 517 CA SER A 33 6.663 -2.557 6.878 1.00 0.00 C ATOM 518 C SER A 33 5.777 -2.896 5.681 1.00 0.00 C ATOM 519 O SER A 33 4.687 -2.341 5.525 1.00 0.00 O ATOM 520 CB SER A 33 7.902 -1.789 6.407 1.00 0.00 C ATOM 521 OG SER A 33 8.753 -1.459 7.493 1.00 0.00 O ATOM 0 H SER A 33 8.059 -3.936 7.614 1.00 0.00 H new ATOM 0 HA SER A 33 6.098 -1.928 7.566 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.451 -2.391 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.594 -0.877 5.895 1.00 0.00 H new ATOM 0 HG SER A 33 9.103 -2.281 7.896 1.00 0.00 H new ATOM 527 N LEU A 34 6.241 -3.826 4.853 1.00 0.00 N ATOM 528 CA LEU A 34 5.505 -4.228 3.661 1.00 0.00 C ATOM 529 C LEU A 34 4.192 -4.901 4.050 1.00 0.00 C ATOM 530 O LEU A 34 3.162 -4.693 3.409 1.00 0.00 O ATOM 531 CB LEU A 34 6.353 -5.181 2.813 1.00 0.00 C ATOM 532 CG LEU A 34 7.687 -4.610 2.326 1.00 0.00 C ATOM 533 CD1 LEU A 34 8.468 -5.664 1.559 1.00 0.00 C ATOM 534 CD2 LEU A 34 7.455 -3.382 1.457 1.00 0.00 C ATOM 0 H LEU A 34 7.125 -4.316 4.986 1.00 0.00 H new ATOM 0 HA LEU A 34 5.281 -3.337 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.552 -6.080 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.769 -5.487 1.945 1.00 0.00 H new ATOM 0 HG LEU A 34 8.273 -4.312 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.414 -5.241 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.664 -6.517 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.887 -5.991 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.414 -2.989 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.851 -3.657 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.934 -2.620 2.036 1.00 0.00 H new ATOM 546 N MET A 35 4.239 -5.694 5.117 1.00 0.00 N ATOM 547 CA MET A 35 3.055 -6.386 5.613 1.00 0.00 C ATOM 548 C MET A 35 1.989 -5.390 6.064 1.00 0.00 C ATOM 549 O MET A 35 0.814 -5.529 5.726 1.00 0.00 O ATOM 550 CB MET A 35 3.429 -7.310 6.777 1.00 0.00 C ATOM 551 CG MET A 35 4.386 -8.429 6.392 1.00 0.00 C ATOM 552 SD MET A 35 3.616 -9.697 5.367 1.00 0.00 S ATOM 553 CE MET A 35 2.541 -10.482 6.566 1.00 0.00 C ATOM 0 H MET A 35 5.087 -5.873 5.655 1.00 0.00 H new ATOM 0 HA MET A 35 2.647 -6.983 4.798 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.882 -6.715 7.570 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.519 -7.748 7.187 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.236 -8.004 5.857 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.778 -8.891 7.298 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.240 -11.463 6.198 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.072 -10.596 7.511 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.656 -9.865 6.720 1.00 0.00 H new ATOM 563 N ALA A 36 2.409 -4.382 6.816 1.00 0.00 N ATOM 564 CA ALA A 36 1.487 -3.381 7.334 1.00 0.00 C ATOM 565 C ALA A 36 0.926 -2.517 6.211 1.00 0.00 C ATOM 566 O ALA A 36 -0.288 -2.455 6.019 1.00 0.00 O ATOM 567 CB ALA A 36 2.179 -2.515 8.373 1.00 0.00 C ATOM 0 H ALA A 36 3.383 -4.236 7.081 1.00 0.00 H new ATOM 0 HA ALA A 36 0.654 -3.901 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.478 -1.771 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.524 -3.140 9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.032 -2.011 7.917 1.00 0.00 H new ATOM 573 N LEU A 37 1.816 -1.876 5.459 1.00 0.00 N ATOM 574 CA LEU A 37 1.415 -0.948 4.402 1.00 0.00 C ATOM 575 C LEU A 37 0.560 -1.640 3.344 1.00 0.00 C ATOM 576 O LEU A 37 -0.386 -1.050 2.820 1.00 0.00 O ATOM 577 CB LEU A 37 2.646 -0.311 3.743 1.00 0.00 C ATOM 578 CG LEU A 37 3.226 0.924 4.450 1.00 0.00 C ATOM 579 CD1 LEU A 37 2.224 2.064 4.447 1.00 0.00 C ATOM 580 CD2 LEU A 37 3.643 0.598 5.875 1.00 0.00 C ATOM 0 H LEU A 37 2.825 -1.982 5.562 1.00 0.00 H new ATOM 0 HA LEU A 37 0.815 -0.166 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.429 -1.067 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.383 -0.031 2.723 1.00 0.00 H new ATOM 0 HG LEU A 37 4.113 1.234 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.655 2.928 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.979 2.330 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.318 1.754 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.049 1.492 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.776 0.251 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.403 -0.183 5.862 1.00 0.00 H new ATOM 592 N GLY A 38 0.889 -2.891 3.047 1.00 0.00 N ATOM 593 CA GLY A 38 0.149 -3.640 2.050 1.00 0.00 C ATOM 594 C GLY A 38 -1.305 -3.830 2.429 1.00 0.00 C ATOM 595 O GLY A 38 -2.202 -3.549 1.635 1.00 0.00 O ATOM 0 H GLY A 38 1.658 -3.402 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.207 -3.121 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.616 -4.615 1.912 1.00 0.00 H new ATOM 599 N ASN A 39 -1.543 -4.276 3.656 1.00 0.00 N ATOM 600 CA ASN A 39 -2.901 -4.544 4.117 1.00 0.00 C ATOM 601 C ASN A 39 -3.656 -3.245 4.390 1.00 0.00 C ATOM 602 O ASN A 39 -4.887 -3.237 4.462 1.00 0.00 O ATOM 603 CB ASN A 39 -2.892 -5.436 5.365 1.00 0.00 C ATOM 604 CG ASN A 39 -2.516 -6.876 5.049 1.00 0.00 C ATOM 605 OD1 ASN A 39 -3.373 -7.700 4.728 1.00 0.00 O ATOM 606 ND2 ASN A 39 -1.236 -7.196 5.146 1.00 0.00 N ATOM 0 H ASN A 39 -0.817 -4.460 4.348 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.421 -5.077 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.188 -5.031 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.878 -5.415 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.933 -8.150 4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.552 -6.488 5.414 1.00 0.00 H new ATOM 613 N CYS A 40 -2.919 -2.146 4.535 1.00 0.00 N ATOM 614 CA CYS A 40 -3.537 -0.829 4.668 1.00 0.00 C ATOM 615 C CYS A 40 -4.240 -0.452 3.370 1.00 0.00 C ATOM 616 O CYS A 40 -5.390 -0.008 3.385 1.00 0.00 O ATOM 617 CB CYS A 40 -2.496 0.236 5.021 1.00 0.00 C ATOM 618 SG CYS A 40 -1.724 0.014 6.635 1.00 0.00 S ATOM 0 H CYS A 40 -1.899 -2.141 4.563 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.266 -0.876 5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.719 0.235 4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.972 1.216 4.991 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.950 -1.030 6.606 1.00 0.00 H new ATOM 624 N VAL A 41 -3.546 -0.656 2.250 1.00 0.00 N ATOM 625 CA VAL A 41 -4.110 -0.384 0.931 1.00 0.00 C ATOM 626 C VAL A 41 -5.373 -1.212 0.719 1.00 0.00 C ATOM 627 O VAL A 41 -6.399 -0.698 0.271 1.00 0.00 O ATOM 628 CB VAL A 41 -3.099 -0.698 -0.196 1.00 0.00 C ATOM 629 CG1 VAL A 41 -3.690 -0.375 -1.561 1.00 0.00 C ATOM 630 CG2 VAL A 41 -1.801 0.064 0.018 1.00 0.00 C ATOM 0 H VAL A 41 -2.590 -1.010 2.232 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.351 0.678 0.891 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.880 -1.765 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.960 -0.604 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.588 -0.972 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.946 0.684 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.104 -0.172 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.004 1.135 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.363 -0.224 0.974 1.00 0.00 H new ATOM 640 N THR A 42 -5.291 -2.491 1.068 1.00 0.00 N ATOM 641 CA THR A 42 -6.422 -3.398 0.946 1.00 0.00 C ATOM 642 C THR A 42 -7.605 -2.921 1.793 1.00 0.00 C ATOM 643 O THR A 42 -8.755 -2.982 1.360 1.00 0.00 O ATOM 644 CB THR A 42 -6.030 -4.823 1.382 1.00 0.00 C ATOM 645 OG1 THR A 42 -4.688 -5.103 0.967 1.00 0.00 O ATOM 646 CG2 THR A 42 -6.968 -5.851 0.769 1.00 0.00 C ATOM 0 H THR A 42 -4.446 -2.924 1.440 1.00 0.00 H new ATOM 0 HA THR A 42 -6.718 -3.410 -0.103 1.00 0.00 H new ATOM 0 HB THR A 42 -6.103 -4.882 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.441 -6.009 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.673 -6.850 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.989 -5.652 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.915 -5.789 -0.318 1.00 0.00 H new ATOM 654 N HIS A 43 -7.315 -2.424 2.995 1.00 0.00 N ATOM 655 CA HIS A 43 -8.360 -1.962 3.904 1.00 0.00 C ATOM 656 C HIS A 43 -9.011 -0.688 3.373 1.00 0.00 C ATOM 657 O HIS A 43 -10.209 -0.465 3.570 1.00 0.00 O ATOM 658 CB HIS A 43 -7.791 -1.722 5.307 1.00 0.00 C ATOM 659 CG HIS A 43 -8.839 -1.450 6.346 1.00 0.00 C ATOM 660 ND1 HIS A 43 -9.613 -2.441 6.910 1.00 0.00 N ATOM 661 CD2 HIS A 43 -9.238 -0.293 6.926 1.00 0.00 C ATOM 662 CE1 HIS A 43 -10.438 -1.909 7.791 1.00 0.00 C ATOM 663 NE2 HIS A 43 -10.230 -0.608 7.822 1.00 0.00 N ATOM 0 H HIS A 43 -6.367 -2.332 3.360 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.121 -2.740 3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.212 -2.595 5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.101 -0.879 5.270 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.849 0.693 6.722 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.161 -2.448 8.386 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.726 0.057 8.415 1.00 0.00 H new ATOM 672 N LEU A 44 -8.218 0.147 2.711 1.00 0.00 N ATOM 673 CA LEU A 44 -8.744 1.345 2.066 1.00 0.00 C ATOM 674 C LEU A 44 -9.685 0.944 0.941 1.00 0.00 C ATOM 675 O LEU A 44 -10.804 1.443 0.844 1.00 0.00 O ATOM 676 CB LEU A 44 -7.607 2.218 1.523 1.00 0.00 C ATOM 677 CG LEU A 44 -6.649 2.776 2.579 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.528 3.560 1.913 1.00 0.00 C ATOM 679 CD2 LEU A 44 -7.397 3.657 3.568 1.00 0.00 C ATOM 0 H LEU A 44 -7.212 0.017 2.607 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.292 1.929 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.031 1.632 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.042 3.053 0.974 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.213 1.940 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.854 3.951 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.974 2.904 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.951 4.388 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.699 4.044 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.860 4.489 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.169 3.070 4.066 1.00 0.00 H new ATOM 691 N LEU A 45 -9.230 0.016 0.111 1.00 0.00 N ATOM 692 CA LEU A 45 -10.057 -0.535 -0.953 1.00 0.00 C ATOM 693 C LEU A 45 -11.353 -1.096 -0.388 1.00 0.00 C ATOM 694 O LEU A 45 -12.437 -0.793 -0.873 1.00 0.00 O ATOM 695 CB LEU A 45 -9.305 -1.642 -1.693 1.00 0.00 C ATOM 696 CG LEU A 45 -8.159 -1.166 -2.581 1.00 0.00 C ATOM 697 CD1 LEU A 45 -7.375 -2.349 -3.125 1.00 0.00 C ATOM 698 CD2 LEU A 45 -8.706 -0.323 -3.719 1.00 0.00 C ATOM 0 H LEU A 45 -8.288 -0.373 0.155 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.291 0.270 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.908 -2.343 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.016 -2.194 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.481 -0.557 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.563 -1.988 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.963 -2.924 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.037 -2.984 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.884 0.014 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.398 -0.919 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.229 0.542 -3.312 1.00 0.00 H new ATOM 710 N GLU A 46 -11.222 -1.892 0.656 1.00 0.00 N ATOM 711 CA GLU A 46 -12.351 -2.580 1.257 1.00 0.00 C ATOM 712 C GLU A 46 -13.430 -1.607 1.754 1.00 0.00 C ATOM 713 O GLU A 46 -14.561 -1.616 1.268 1.00 0.00 O ATOM 714 CB GLU A 46 -11.862 -3.440 2.422 1.00 0.00 C ATOM 715 CG GLU A 46 -12.946 -4.304 3.035 1.00 0.00 C ATOM 716 CD GLU A 46 -13.115 -5.634 2.328 1.00 0.00 C ATOM 717 OE1 GLU A 46 -12.095 -6.303 2.057 1.00 0.00 O ATOM 718 OE2 GLU A 46 -14.273 -6.031 2.085 1.00 0.00 O ATOM 0 H GLU A 46 -10.330 -2.081 1.112 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.803 -3.204 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.051 -4.081 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.447 -2.791 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.710 -4.484 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.892 -3.763 3.010 1.00 0.00 H new ATOM 725 N ARG A 47 -13.084 -0.755 2.711 1.00 0.00 N ATOM 726 CA ARG A 47 -14.102 0.012 3.429 1.00 0.00 C ATOM 727 C ARG A 47 -14.171 1.481 3.019 1.00 0.00 C ATOM 728 O ARG A 47 -14.908 2.259 3.625 1.00 0.00 O ATOM 729 CB ARG A 47 -13.891 -0.129 4.937 1.00 0.00 C ATOM 730 CG ARG A 47 -14.303 -1.498 5.449 1.00 0.00 C ATOM 731 CD ARG A 47 -15.779 -1.742 5.189 1.00 0.00 C ATOM 732 NE ARG A 47 -16.112 -3.161 5.099 1.00 0.00 N ATOM 733 CZ ARG A 47 -17.352 -3.618 4.929 1.00 0.00 C ATOM 734 NH1 ARG A 47 -18.371 -2.768 4.879 1.00 0.00 N ATOM 735 NH2 ARG A 47 -17.571 -4.918 4.787 1.00 0.00 N ATOM 0 H ARG A 47 -12.124 -0.577 3.007 1.00 0.00 H new ATOM 0 HA ARG A 47 -15.067 -0.411 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.841 0.044 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.465 0.639 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.709 -2.270 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.099 -1.569 6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.364 -1.286 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.066 -1.247 4.261 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.354 -3.840 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.204 -1.766 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.320 -3.117 4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.789 -5.572 4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.522 -5.264 4.657 1.00 0.00 H new ATOM 749 N LYS A 48 -13.424 1.863 1.997 1.00 0.00 N ATOM 750 CA LYS A 48 -13.549 3.205 1.435 1.00 0.00 C ATOM 751 C LYS A 48 -14.004 3.134 -0.022 1.00 0.00 C ATOM 752 O LYS A 48 -14.619 4.067 -0.543 1.00 0.00 O ATOM 753 CB LYS A 48 -12.229 3.984 1.544 1.00 0.00 C ATOM 754 CG LYS A 48 -12.067 4.783 2.837 1.00 0.00 C ATOM 755 CD LYS A 48 -12.025 3.899 4.078 1.00 0.00 C ATOM 756 CE LYS A 48 -11.912 4.734 5.347 1.00 0.00 C ATOM 757 NZ LYS A 48 -11.983 3.901 6.580 1.00 0.00 N ATOM 0 H LYS A 48 -12.729 1.272 1.540 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.302 3.739 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.400 3.282 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.155 4.667 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.150 5.370 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.892 5.489 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.926 3.287 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.178 3.216 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.970 5.283 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.712 5.474 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.987 4.519 7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.854 3.332 6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.158 3.269 6.620 1.00 0.00 H new ATOM 771 N VAL A 49 -13.731 2.006 -0.665 1.00 0.00 N ATOM 772 CA VAL A 49 -14.073 1.814 -2.068 1.00 0.00 C ATOM 773 C VAL A 49 -15.146 0.725 -2.213 1.00 0.00 C ATOM 774 O VAL A 49 -15.082 -0.304 -1.537 1.00 0.00 O ATOM 775 CB VAL A 49 -12.815 1.428 -2.888 1.00 0.00 C ATOM 776 CG1 VAL A 49 -13.124 1.345 -4.372 1.00 0.00 C ATOM 777 CG2 VAL A 49 -11.685 2.415 -2.636 1.00 0.00 C ATOM 0 H VAL A 49 -13.270 1.205 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.468 2.754 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.496 0.440 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.220 1.072 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.892 0.590 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.482 2.313 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.812 2.126 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.003 3.415 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.429 2.412 -1.576 1.00 0.00 H new ATOM 787 N PRO A 50 -16.174 0.954 -3.053 1.00 0.00 N ATOM 788 CA PRO A 50 -17.225 -0.042 -3.320 1.00 0.00 C ATOM 789 C PRO A 50 -16.654 -1.380 -3.799 1.00 0.00 C ATOM 790 O PRO A 50 -15.596 -1.419 -4.429 1.00 0.00 O ATOM 791 CB PRO A 50 -18.084 0.601 -4.418 1.00 0.00 C ATOM 792 CG PRO A 50 -17.296 1.766 -4.921 1.00 0.00 C ATOM 793 CD PRO A 50 -16.411 2.202 -3.788 1.00 0.00 C ATOM 0 HA PRO A 50 -17.787 -0.279 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.289 -0.108 -5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.048 0.922 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.703 1.486 -5.792 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.956 2.576 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.481 2.640 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.896 2.952 -3.163 1.00 0.00 H new ATOM 801 N SER A 51 -17.373 -2.462 -3.509 1.00 0.00 N ATOM 802 CA SER A 51 -16.899 -3.826 -3.753 1.00 0.00 C ATOM 803 C SER A 51 -16.382 -4.022 -5.182 1.00 0.00 C ATOM 804 O SER A 51 -15.245 -4.455 -5.380 1.00 0.00 O ATOM 805 CB SER A 51 -18.018 -4.830 -3.455 1.00 0.00 C ATOM 806 OG SER A 51 -17.551 -6.167 -3.537 1.00 0.00 O ATOM 0 H SER A 51 -18.305 -2.419 -3.096 1.00 0.00 H new ATOM 0 HA SER A 51 -16.058 -4.000 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.420 -4.644 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.836 -4.685 -4.161 1.00 0.00 H new ATOM 0 HG SER A 51 -18.287 -6.783 -3.340 1.00 0.00 H new ATOM 812 N GLU A 52 -17.204 -3.692 -6.172 1.00 0.00 N ATOM 813 CA GLU A 52 -16.826 -3.888 -7.571 1.00 0.00 C ATOM 814 C GLU A 52 -15.637 -3.012 -7.951 1.00 0.00 C ATOM 815 O GLU A 52 -14.831 -3.371 -8.812 1.00 0.00 O ATOM 816 CB GLU A 52 -18.007 -3.595 -8.493 1.00 0.00 C ATOM 817 CG GLU A 52 -19.165 -4.561 -8.319 1.00 0.00 C ATOM 818 CD GLU A 52 -20.276 -4.312 -9.313 1.00 0.00 C ATOM 819 OE1 GLU A 52 -20.079 -4.601 -10.511 1.00 0.00 O ATOM 820 OE2 GLU A 52 -21.350 -3.832 -8.901 1.00 0.00 O ATOM 0 H GLU A 52 -18.131 -3.290 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.534 -4.931 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.360 -2.580 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.667 -3.630 -9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.803 -5.583 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.560 -4.472 -7.307 1.00 0.00 H new ATOM 827 N SER A 53 -15.522 -1.872 -7.295 1.00 0.00 N ATOM 828 CA SER A 53 -14.442 -0.946 -7.572 1.00 0.00 C ATOM 829 C SER A 53 -13.159 -1.378 -6.868 1.00 0.00 C ATOM 830 O SER A 53 -12.068 -1.035 -7.311 1.00 0.00 O ATOM 831 CB SER A 53 -14.835 0.467 -7.160 1.00 0.00 C ATOM 832 OG SER A 53 -15.934 0.927 -7.925 1.00 0.00 O ATOM 0 H SER A 53 -16.165 -1.566 -6.565 1.00 0.00 H new ATOM 0 HA SER A 53 -14.253 -0.952 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.091 0.484 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.987 1.139 -7.293 1.00 0.00 H new ATOM 0 HG SER A 53 -15.973 1.905 -7.886 1.00 0.00 H new ATOM 838 N ARG A 54 -13.293 -2.140 -5.779 1.00 0.00 N ATOM 839 CA ARG A 54 -12.129 -2.706 -5.098 1.00 0.00 C ATOM 840 C ARG A 54 -11.302 -3.499 -6.098 1.00 0.00 C ATOM 841 O ARG A 54 -10.084 -3.376 -6.154 1.00 0.00 O ATOM 842 CB ARG A 54 -12.546 -3.640 -3.953 1.00 0.00 C ATOM 843 CG ARG A 54 -13.361 -2.984 -2.848 1.00 0.00 C ATOM 844 CD ARG A 54 -13.894 -4.021 -1.877 1.00 0.00 C ATOM 845 NE ARG A 54 -14.862 -3.451 -0.943 1.00 0.00 N ATOM 846 CZ ARG A 54 -15.709 -4.175 -0.210 1.00 0.00 C ATOM 847 NH1 ARG A 54 -15.698 -5.499 -0.300 1.00 0.00 N ATOM 848 NH2 ARG A 54 -16.564 -3.577 0.613 1.00 0.00 N ATOM 0 H ARG A 54 -14.189 -2.377 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.549 -1.883 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.125 -4.464 -4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.648 -4.073 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.742 -2.264 -2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.191 -2.428 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.363 -4.832 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.064 -4.455 -1.319 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.892 -2.436 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.042 -5.962 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.345 -6.054 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.575 -2.560 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.210 -4.135 1.171 1.00 0.00 H new ATOM 862 N GLN A 55 -12.000 -4.294 -6.902 1.00 0.00 N ATOM 863 CA GLN A 55 -11.374 -5.130 -7.917 1.00 0.00 C ATOM 864 C GLN A 55 -10.706 -4.272 -8.990 1.00 0.00 C ATOM 865 O GLN A 55 -9.551 -4.497 -9.356 1.00 0.00 O ATOM 866 CB GLN A 55 -12.433 -6.028 -8.562 1.00 0.00 C ATOM 867 CG GLN A 55 -13.265 -6.810 -7.556 1.00 0.00 C ATOM 868 CD GLN A 55 -14.417 -7.554 -8.206 1.00 0.00 C ATOM 869 OE1 GLN A 55 -15.514 -7.015 -8.354 1.00 0.00 O ATOM 870 NE2 GLN A 55 -14.181 -8.799 -8.586 1.00 0.00 N ATOM 0 H GLN A 55 -13.016 -4.376 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.610 -5.743 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.097 -5.413 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.941 -6.729 -9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.625 -7.522 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.657 -6.125 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.258 -9.209 -8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.922 -9.349 -9.020 1.00 0.00 H new ATOM 879 N ALA A 56 -11.443 -3.278 -9.477 1.00 0.00 N ATOM 880 CA ALA A 56 -10.968 -2.414 -10.550 1.00 0.00 C ATOM 881 C ALA A 56 -9.768 -1.583 -10.109 1.00 0.00 C ATOM 882 O ALA A 56 -8.768 -1.493 -10.827 1.00 0.00 O ATOM 883 CB ALA A 56 -12.089 -1.506 -11.032 1.00 0.00 C ATOM 0 H ALA A 56 -12.379 -3.051 -9.141 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.647 -3.052 -11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.720 -0.866 -11.834 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.915 -2.113 -11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.437 -0.887 -10.205 1.00 0.00 H new ATOM 889 N VAL A 57 -9.862 -0.983 -8.928 1.00 0.00 N ATOM 890 CA VAL A 57 -8.788 -0.145 -8.417 1.00 0.00 C ATOM 891 C VAL A 57 -7.573 -0.992 -8.047 1.00 0.00 C ATOM 892 O VAL A 57 -6.441 -0.571 -8.259 1.00 0.00 O ATOM 893 CB VAL A 57 -9.232 0.697 -7.198 1.00 0.00 C ATOM 894 CG1 VAL A 57 -8.088 1.559 -6.687 1.00 0.00 C ATOM 895 CG2 VAL A 57 -10.423 1.574 -7.555 1.00 0.00 C ATOM 0 H VAL A 57 -10.669 -1.062 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.518 0.545 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.527 0.008 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.426 2.141 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.257 0.920 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.760 2.234 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.719 2.158 -6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.148 2.248 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.256 0.946 -7.871 1.00 0.00 H new ATOM 905 N ALA A 58 -7.810 -2.191 -7.513 1.00 0.00 N ATOM 906 CA ALA A 58 -6.718 -3.104 -7.177 1.00 0.00 C ATOM 907 C ALA A 58 -5.893 -3.426 -8.416 1.00 0.00 C ATOM 908 O ALA A 58 -4.669 -3.342 -8.390 1.00 0.00 O ATOM 909 CB ALA A 58 -7.250 -4.384 -6.550 1.00 0.00 C ATOM 0 H ALA A 58 -8.742 -2.550 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.077 -2.609 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.417 -5.045 -6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.796 -4.143 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.918 -4.883 -7.252 1.00 0.00 H new ATOM 915 N GLU A 59 -6.584 -3.780 -9.495 1.00 0.00 N ATOM 916 CA GLU A 59 -5.947 -4.043 -10.783 1.00 0.00 C ATOM 917 C GLU A 59 -5.033 -2.884 -11.186 1.00 0.00 C ATOM 918 O GLU A 59 -3.839 -3.068 -11.459 1.00 0.00 O ATOM 919 CB GLU A 59 -7.036 -4.252 -11.847 1.00 0.00 C ATOM 920 CG GLU A 59 -6.517 -4.323 -13.277 1.00 0.00 C ATOM 921 CD GLU A 59 -5.833 -5.632 -13.601 1.00 0.00 C ATOM 922 OE1 GLU A 59 -4.910 -6.026 -12.873 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.204 -6.263 -14.616 1.00 0.00 O ATOM 0 H GLU A 59 -7.598 -3.893 -9.503 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.334 -4.941 -10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.573 -5.174 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.757 -3.438 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.349 -4.176 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.817 -3.504 -13.443 1.00 0.00 H new ATOM 930 N GLN A 60 -5.599 -1.688 -11.191 1.00 0.00 N ATOM 931 CA GLN A 60 -4.879 -0.499 -11.615 1.00 0.00 C ATOM 932 C GLN A 60 -3.734 -0.174 -10.666 1.00 0.00 C ATOM 933 O GLN A 60 -2.603 -0.007 -11.096 1.00 0.00 O ATOM 934 CB GLN A 60 -5.834 0.686 -11.704 1.00 0.00 C ATOM 935 CG GLN A 60 -6.933 0.498 -12.737 1.00 0.00 C ATOM 936 CD GLN A 60 -7.951 1.621 -12.740 1.00 0.00 C ATOM 937 OE1 GLN A 60 -7.511 2.828 -12.417 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -9.124 1.404 -13.044 1.00 0.00 N flip ATOM 0 H GLN A 60 -6.562 -1.515 -10.904 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.454 -0.697 -12.599 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.288 0.852 -10.727 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.266 1.584 -11.948 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.483 0.422 -13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.444 -0.446 -12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.422 0.459 -13.286 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.798 2.169 -13.054 1.00 0.00 H new ATOM 947 N PHE A 61 -4.033 -0.107 -9.376 1.00 0.00 N ATOM 948 CA PHE A 61 -3.042 0.273 -8.373 1.00 0.00 C ATOM 949 C PHE A 61 -1.875 -0.704 -8.353 1.00 0.00 C ATOM 950 O PHE A 61 -0.719 -0.291 -8.303 1.00 0.00 O ATOM 951 CB PHE A 61 -3.680 0.347 -6.983 1.00 0.00 C ATOM 952 CG PHE A 61 -2.712 0.748 -5.902 1.00 0.00 C ATOM 953 CD1 PHE A 61 -2.388 2.081 -5.706 1.00 0.00 C ATOM 954 CD2 PHE A 61 -2.119 -0.207 -5.092 1.00 0.00 C ATOM 955 CE1 PHE A 61 -1.494 2.453 -4.721 1.00 0.00 C ATOM 956 CE2 PHE A 61 -1.223 0.159 -4.105 1.00 0.00 C ATOM 957 CZ PHE A 61 -0.910 1.491 -3.920 1.00 0.00 C ATOM 0 H PHE A 61 -4.957 -0.311 -8.996 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.663 1.259 -8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.503 1.061 -7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.108 -0.624 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.840 2.838 -6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.360 -1.250 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.252 3.496 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.769 -0.595 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.210 1.780 -3.150 1.00 0.00 H new ATOM 967 N ALA A 62 -2.181 -1.992 -8.403 1.00 0.00 N ATOM 968 CA ALA A 62 -1.152 -3.020 -8.356 1.00 0.00 C ATOM 969 C ALA A 62 -0.179 -2.873 -9.517 1.00 0.00 C ATOM 970 O ALA A 62 1.037 -2.955 -9.340 1.00 0.00 O ATOM 971 CB ALA A 62 -1.778 -4.404 -8.364 1.00 0.00 C ATOM 0 H ALA A 62 -3.133 -2.350 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.595 -2.895 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.992 -5.159 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.427 -4.515 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.364 -4.533 -9.274 1.00 0.00 H new ATOM 977 N LYS A 63 -0.712 -2.630 -10.705 1.00 0.00 N ATOM 978 CA LYS A 63 0.129 -2.524 -11.888 1.00 0.00 C ATOM 979 C LYS A 63 0.725 -1.126 -12.028 1.00 0.00 C ATOM 980 O LYS A 63 1.776 -0.956 -12.641 1.00 0.00 O ATOM 981 CB LYS A 63 -0.659 -2.927 -13.132 1.00 0.00 C ATOM 982 CG LYS A 63 -0.990 -4.409 -13.146 1.00 0.00 C ATOM 983 CD LYS A 63 -1.951 -4.770 -14.262 1.00 0.00 C ATOM 984 CE LYS A 63 -2.216 -6.265 -14.285 1.00 0.00 C ATOM 985 NZ LYS A 63 -3.317 -6.623 -15.211 1.00 0.00 N ATOM 0 H LYS A 63 -1.710 -2.504 -10.875 1.00 0.00 H new ATOM 0 HA LYS A 63 0.966 -3.213 -11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.582 -2.350 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.082 -2.677 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.071 -4.984 -13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.426 -4.691 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.889 -4.232 -14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.537 -4.455 -15.220 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.308 -6.789 -14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.464 -6.604 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.944 -7.315 -14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.860 -5.769 -15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.920 -7.036 -16.079 1.00 0.00 H new ATOM 999 N ALA A 64 0.067 -0.133 -11.443 1.00 0.00 N ATOM 1000 CA ALA A 64 0.603 1.221 -11.400 1.00 0.00 C ATOM 1001 C ALA A 64 1.773 1.288 -10.433 1.00 0.00 C ATOM 1002 O ALA A 64 2.727 2.036 -10.645 1.00 0.00 O ATOM 1003 CB ALA A 64 -0.472 2.219 -10.998 1.00 0.00 C ATOM 0 H ALA A 64 -0.841 -0.241 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 64 0.952 1.484 -12.399 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.046 3.222 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.286 2.188 -11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.855 1.963 -10.010 1.00 0.00 H new ATOM 1009 N LEU A 65 1.689 0.501 -9.369 1.00 0.00 N ATOM 1010 CA LEU A 65 2.782 0.374 -8.421 1.00 0.00 C ATOM 1011 C LEU A 65 3.995 -0.206 -9.131 1.00 0.00 C ATOM 1012 O LEU A 65 5.089 0.355 -9.080 1.00 0.00 O ATOM 1013 CB LEU A 65 2.377 -0.534 -7.259 1.00 0.00 C ATOM 1014 CG LEU A 65 3.302 -0.503 -6.046 1.00 0.00 C ATOM 1015 CD1 LEU A 65 3.079 0.767 -5.245 1.00 0.00 C ATOM 1016 CD2 LEU A 65 3.086 -1.732 -5.177 1.00 0.00 C ATOM 0 H LEU A 65 0.869 -0.061 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 65 3.026 1.359 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.374 -0.255 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.321 -1.559 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 65 4.334 -0.512 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.746 0.775 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.286 1.634 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.044 0.805 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.755 -1.692 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.052 -1.757 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.296 -2.630 -5.758 1.00 0.00 H new ATOM 1028 N ALA A 66 3.780 -1.319 -9.828 1.00 0.00 N ATOM 1029 CA ALA A 66 4.837 -1.969 -10.590 1.00 0.00 C ATOM 1030 C ALA A 66 5.347 -1.056 -11.699 1.00 0.00 C ATOM 1031 O ALA A 66 6.531 -1.072 -12.030 1.00 0.00 O ATOM 1032 CB ALA A 66 4.340 -3.284 -11.168 1.00 0.00 C ATOM 0 H ALA A 66 2.877 -1.790 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 66 5.667 -2.177 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.141 -3.758 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.029 -3.943 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.492 -3.095 -11.827 1.00 0.00 H new ATOM 1038 N GLN A 67 4.444 -0.268 -12.274 1.00 0.00 N ATOM 1039 CA GLN A 67 4.813 0.738 -13.266 1.00 0.00 C ATOM 1040 C GLN A 67 5.749 1.770 -12.645 1.00 0.00 C ATOM 1041 O GLN A 67 6.803 2.086 -13.200 1.00 0.00 O ATOM 1042 CB GLN A 67 3.558 1.434 -13.806 1.00 0.00 C ATOM 1043 CG GLN A 67 3.851 2.584 -14.759 1.00 0.00 C ATOM 1044 CD GLN A 67 2.617 3.404 -15.082 1.00 0.00 C ATOM 1045 OE1 GLN A 67 1.696 3.516 -14.271 1.00 0.00 O ATOM 1046 NE2 GLN A 67 2.594 4.000 -16.263 1.00 0.00 N ATOM 0 H GLN A 67 3.446 -0.307 -12.069 1.00 0.00 H new ATOM 0 HA GLN A 67 5.326 0.243 -14.090 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.939 0.698 -14.320 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.974 1.811 -12.966 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.608 3.232 -14.318 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.271 2.187 -15.683 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.375 3.884 -16.908 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.795 4.576 -16.528 1.00 0.00 H new ATOM 1055 N SER A 68 5.360 2.276 -11.482 1.00 0.00 N ATOM 1056 CA SER A 68 6.144 3.279 -10.777 1.00 0.00 C ATOM 1057 C SER A 68 7.498 2.714 -10.358 1.00 0.00 C ATOM 1058 O SER A 68 8.517 3.388 -10.468 1.00 0.00 O ATOM 1059 CB SER A 68 5.372 3.782 -9.556 1.00 0.00 C ATOM 1060 OG SER A 68 4.109 4.301 -9.938 1.00 0.00 O ATOM 0 H SER A 68 4.500 2.005 -11.005 1.00 0.00 H new ATOM 0 HA SER A 68 6.323 4.116 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.235 2.967 -8.845 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.949 4.555 -9.048 1.00 0.00 H new ATOM 0 HG SER A 68 3.563 3.583 -10.321 1.00 0.00 H new ATOM 1066 N VAL A 69 7.506 1.467 -9.899 1.00 0.00 N ATOM 1067 CA VAL A 69 8.744 0.802 -9.512 1.00 0.00 C ATOM 1068 C VAL A 69 9.616 0.522 -10.739 1.00 0.00 C ATOM 1069 O VAL A 69 10.844 0.545 -10.665 1.00 0.00 O ATOM 1070 CB VAL A 69 8.467 -0.519 -8.757 1.00 0.00 C ATOM 1071 CG1 VAL A 69 9.764 -1.239 -8.419 1.00 0.00 C ATOM 1072 CG2 VAL A 69 7.667 -0.253 -7.491 1.00 0.00 C ATOM 0 H VAL A 69 6.668 0.896 -9.786 1.00 0.00 H new ATOM 0 HA VAL A 69 9.276 1.476 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 69 7.881 -1.163 -9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.539 -2.164 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.302 -1.469 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.381 -0.600 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.482 -1.194 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.229 0.415 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.716 0.211 -7.752 1.00 0.00 H new ATOM 1082 N LYS A 70 8.973 0.277 -11.871 1.00 0.00 N ATOM 1083 CA LYS A 70 9.691 0.016 -13.113 1.00 0.00 C ATOM 1084 C LYS A 70 10.325 1.299 -13.648 1.00 0.00 C ATOM 1085 O LYS A 70 11.430 1.282 -14.182 1.00 0.00 O ATOM 1086 CB LYS A 70 8.740 -0.596 -14.151 1.00 0.00 C ATOM 1087 CG LYS A 70 9.428 -1.074 -15.419 1.00 0.00 C ATOM 1088 CD LYS A 70 8.462 -1.794 -16.357 1.00 0.00 C ATOM 1089 CE LYS A 70 8.134 -3.208 -15.886 1.00 0.00 C ATOM 1090 NZ LYS A 70 7.263 -3.236 -14.679 1.00 0.00 N ATOM 0 H LYS A 70 7.957 0.253 -11.957 1.00 0.00 H new ATOM 0 HA LYS A 70 10.491 -0.696 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.216 -1.437 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.985 0.144 -14.417 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.868 -0.221 -15.936 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.246 -1.745 -15.157 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.540 -1.218 -16.436 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.896 -1.839 -17.356 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.641 -3.748 -16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.062 -3.736 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.551 -3.987 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.843 -3.423 -13.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.786 -2.318 -14.574 1.00 0.00 H new ATOM 1104 N SER A 71 9.623 2.417 -13.476 1.00 0.00 N ATOM 1105 CA SER A 71 10.139 3.712 -13.902 1.00 0.00 C ATOM 1106 C SER A 71 10.954 4.354 -12.783 1.00 0.00 C ATOM 1107 O SER A 71 11.482 5.455 -12.938 1.00 0.00 O ATOM 1108 CB SER A 71 8.973 4.634 -14.306 1.00 0.00 C ATOM 1109 OG SER A 71 9.442 5.881 -14.795 1.00 0.00 O ATOM 0 H SER A 71 8.699 2.451 -13.046 1.00 0.00 H new ATOM 0 HA SER A 71 10.790 3.564 -14.764 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.370 4.145 -15.071 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.324 4.800 -13.446 1.00 0.00 H new ATOM 0 HG SER A 71 10.258 6.134 -14.315 1.00 0.00 H new ATOM 1115 N ASN A 72 11.063 3.647 -11.660 1.00 0.00 N ATOM 1116 CA ASN A 72 11.802 4.140 -10.501 1.00 0.00 C ATOM 1117 C ASN A 72 13.298 4.134 -10.789 1.00 0.00 C ATOM 1118 O ASN A 72 14.057 4.926 -10.226 1.00 0.00 O ATOM 1119 CB ASN A 72 11.506 3.269 -9.276 1.00 0.00 C ATOM 1120 CG ASN A 72 12.087 3.824 -7.990 1.00 0.00 C ATOM 1121 OD1 ASN A 72 12.547 3.071 -7.135 1.00 0.00 O ATOM 1122 ND2 ASN A 72 12.040 5.139 -7.831 1.00 0.00 N ATOM 0 H ASN A 72 10.646 2.725 -11.529 1.00 0.00 H new ATOM 0 HA ASN A 72 11.484 5.162 -10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.427 3.166 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.905 2.269 -9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.394 5.562 -6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.650 5.728 -8.567 1.00 0.00 H new ATOM 1129 N LEU A 73 13.714 3.225 -11.663 1.00 0.00 N ATOM 1130 CA LEU A 73 15.104 3.154 -12.093 1.00 0.00 C ATOM 1131 C LEU A 73 15.449 4.400 -12.896 1.00 0.00 C ATOM 1132 O LEU A 73 16.414 5.105 -12.590 1.00 0.00 O ATOM 1133 CB LEU A 73 15.333 1.898 -12.941 1.00 0.00 C ATOM 1134 CG LEU A 73 14.933 0.579 -12.275 1.00 0.00 C ATOM 1135 CD1 LEU A 73 15.125 -0.585 -13.236 1.00 0.00 C ATOM 1136 CD2 LEU A 73 15.737 0.358 -11.000 1.00 0.00 C ATOM 0 H LEU A 73 13.106 2.525 -12.088 1.00 0.00 H new ATOM 0 HA LEU A 73 15.749 3.100 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.774 2.001 -13.871 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.389 1.846 -13.207 1.00 0.00 H new ATOM 0 HG LEU A 73 13.877 0.635 -12.010 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.836 -1.514 -12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.505 -0.433 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.172 -0.643 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.439 -0.584 -10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.799 0.324 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.549 1.176 -10.305 1.00 0.00 H new ATOM 1148 N GLU A 74 14.631 4.650 -13.919 1.00 0.00 N ATOM 1149 CA GLU A 74 14.709 5.857 -14.740 1.00 0.00 C ATOM 1150 C GLU A 74 15.957 5.866 -15.632 1.00 0.00 C ATOM 1151 O GLU A 74 16.940 5.173 -15.374 1.00 0.00 O ATOM 1152 CB GLU A 74 14.643 7.112 -13.855 1.00 0.00 C ATOM 1153 CG GLU A 74 14.466 8.411 -14.626 1.00 0.00 C ATOM 1154 CD GLU A 74 13.316 8.345 -15.612 1.00 0.00 C ATOM 1155 OE1 GLU A 74 13.553 7.952 -16.774 1.00 0.00 O ATOM 1156 OE2 GLU A 74 12.178 8.687 -15.236 1.00 0.00 O ATOM 0 H GLU A 74 13.887 4.012 -14.203 1.00 0.00 H new ATOM 0 HA GLU A 74 13.847 5.861 -15.408 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.817 7.004 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.557 7.175 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.293 9.227 -13.924 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.387 8.641 -15.161 1.00 0.00 H new ATOM 1163 N HIS A 75 15.879 6.635 -16.710 1.00 0.00 N ATOM 1164 CA HIS A 75 16.977 6.781 -17.654 1.00 0.00 C ATOM 1165 C HIS A 75 17.614 8.160 -17.494 1.00 0.00 C ATOM 1166 O HIS A 75 17.816 8.630 -16.372 1.00 0.00 O ATOM 1167 CB HIS A 75 16.468 6.614 -19.093 1.00 0.00 C ATOM 1168 CG HIS A 75 15.927 5.255 -19.409 1.00 0.00 C ATOM 1169 ND1 HIS A 75 16.709 4.227 -19.876 1.00 0.00 N ATOM 1170 CD2 HIS A 75 14.665 4.768 -19.350 1.00 0.00 C ATOM 1171 CE1 HIS A 75 15.957 3.165 -20.091 1.00 0.00 C ATOM 1172 NE2 HIS A 75 14.710 3.464 -19.781 1.00 0.00 N ATOM 0 H HIS A 75 15.050 7.176 -16.954 1.00 0.00 H new ATOM 0 HA HIS A 75 17.720 6.010 -17.450 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.688 7.353 -19.276 1.00 0.00 H new ATOM 0 HB3 HIS A 75 17.284 6.835 -19.781 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.786 5.305 -19.025 1.00 0.00 H new ATOM 0 HE1 HIS A 75 16.304 2.211 -20.459 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.912 2.832 -19.850 1.00 0.00 H new ATOM 1181 N HIS A 76 17.932 8.793 -18.627 1.00 0.00 N ATOM 1182 CA HIS A 76 18.423 10.175 -18.674 1.00 0.00 C ATOM 1183 C HIS A 76 19.889 10.268 -18.270 1.00 0.00 C ATOM 1184 O HIS A 76 20.724 10.716 -19.054 1.00 0.00 O ATOM 1185 CB HIS A 76 17.572 11.116 -17.807 1.00 0.00 C ATOM 1186 CG HIS A 76 16.148 11.237 -18.263 1.00 0.00 C ATOM 1187 ND1 HIS A 76 15.714 12.211 -19.133 1.00 0.00 N ATOM 1188 CD2 HIS A 76 15.058 10.495 -17.960 1.00 0.00 C ATOM 1189 CE1 HIS A 76 14.419 12.062 -19.347 1.00 0.00 C ATOM 1190 NE2 HIS A 76 13.997 11.027 -18.646 1.00 0.00 N ATOM 0 H HIS A 76 17.855 8.357 -19.546 1.00 0.00 H new ATOM 0 HA HIS A 76 18.334 10.498 -19.711 1.00 0.00 H new ATOM 0 HB2 HIS A 76 17.585 10.757 -16.778 1.00 0.00 H new ATOM 0 HB3 HIS A 76 18.029 12.106 -17.806 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.029 9.641 -17.299 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.809 12.682 -19.987 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.038 10.680 -18.619 1.00 0.00 H new ATOM 1199 N HIS A 77 20.205 9.845 -17.056 1.00 0.00 N ATOM 1200 CA HIS A 77 21.571 9.927 -16.559 1.00 0.00 C ATOM 1201 C HIS A 77 22.312 8.626 -16.805 1.00 0.00 C ATOM 1202 O HIS A 77 22.126 7.641 -16.087 1.00 0.00 O ATOM 1203 CB HIS A 77 21.593 10.274 -15.070 1.00 0.00 C ATOM 1204 CG HIS A 77 21.114 11.660 -14.779 1.00 0.00 C ATOM 1205 ND1 HIS A 77 19.995 11.928 -14.029 1.00 0.00 N ATOM 1206 CD2 HIS A 77 21.617 12.863 -15.142 1.00 0.00 C ATOM 1207 CE1 HIS A 77 19.825 13.232 -13.944 1.00 0.00 C ATOM 1208 NE2 HIS A 77 20.798 13.825 -14.611 1.00 0.00 N ATOM 0 H HIS A 77 19.537 9.443 -16.398 1.00 0.00 H new ATOM 0 HA HIS A 77 22.076 10.724 -17.105 1.00 0.00 H new ATOM 0 HB2 HIS A 77 20.971 9.561 -14.529 1.00 0.00 H new ATOM 0 HB3 HIS A 77 22.609 10.162 -14.693 1.00 0.00 H new ATOM 0 HD2 HIS A 77 22.500 13.033 -15.740 1.00 0.00 H new ATOM 0 HE1 HIS A 77 19.025 13.731 -13.418 1.00 0.00 H new ATOM 0 HE2 HIS A 77 20.920 14.832 -14.714 1.00 0.00 H new ATOM 1217 N HIS A 78 23.154 8.624 -17.824 1.00 0.00 N ATOM 1218 CA HIS A 78 23.913 7.438 -18.172 1.00 0.00 C ATOM 1219 C HIS A 78 25.142 7.298 -17.289 1.00 0.00 C ATOM 1220 O HIS A 78 26.257 7.609 -17.701 1.00 0.00 O ATOM 1221 CB HIS A 78 24.329 7.443 -19.648 1.00 0.00 C ATOM 1222 CG HIS A 78 23.230 7.058 -20.590 1.00 0.00 C ATOM 1223 ND1 HIS A 78 23.078 5.779 -21.089 1.00 0.00 N ATOM 1224 CD2 HIS A 78 22.230 7.791 -21.135 1.00 0.00 C ATOM 1225 CE1 HIS A 78 22.036 5.744 -21.896 1.00 0.00 C ATOM 1226 NE2 HIS A 78 21.504 6.950 -21.942 1.00 0.00 N ATOM 0 H HIS A 78 23.328 9.430 -18.424 1.00 0.00 H new ATOM 0 HA HIS A 78 23.259 6.582 -18.006 1.00 0.00 H new ATOM 0 HB2 HIS A 78 24.687 8.438 -19.911 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.166 6.757 -19.782 1.00 0.00 H new ATOM 0 HD2 HIS A 78 22.039 8.841 -20.966 1.00 0.00 H new ATOM 0 HE1 HIS A 78 21.679 4.875 -22.429 1.00 0.00 H new ATOM 0 HE2 HIS A 78 20.685 7.215 -22.489 1.00 0.00 H new ATOM 1235 N HIS A 79 24.925 6.883 -16.049 1.00 0.00 N ATOM 1236 CA HIS A 79 26.029 6.461 -15.197 1.00 0.00 C ATOM 1237 C HIS A 79 26.092 4.939 -15.226 1.00 0.00 C ATOM 1238 O HIS A 79 27.033 4.317 -14.736 1.00 0.00 O ATOM 1239 CB HIS A 79 25.891 7.003 -13.760 1.00 0.00 C ATOM 1240 CG HIS A 79 24.858 6.331 -12.904 1.00 0.00 C ATOM 1241 ND1 HIS A 79 25.171 5.340 -11.999 1.00 0.00 N ATOM 1242 CD2 HIS A 79 23.525 6.543 -12.780 1.00 0.00 C ATOM 1243 CE1 HIS A 79 24.079 4.971 -11.358 1.00 0.00 C ATOM 1244 NE2 HIS A 79 23.064 5.686 -11.809 1.00 0.00 N ATOM 0 H HIS A 79 24.004 6.829 -15.613 1.00 0.00 H new ATOM 0 HA HIS A 79 26.963 6.876 -15.577 1.00 0.00 H new ATOM 0 HB2 HIS A 79 26.858 6.916 -13.265 1.00 0.00 H new ATOM 0 HB3 HIS A 79 25.655 8.066 -13.814 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.935 7.253 -13.340 1.00 0.00 H new ATOM 0 HE1 HIS A 79 24.024 4.211 -10.592 1.00 0.00 H new ATOM 0 HE2 HIS A 79 22.098 5.614 -11.490 1.00 0.00 H new ATOM 1253 N HIS A 80 25.066 4.362 -15.834 1.00 0.00 N ATOM 1254 CA HIS A 80 24.995 2.934 -16.078 1.00 0.00 C ATOM 1255 C HIS A 80 24.700 2.719 -17.559 1.00 0.00 C ATOM 1256 O HIS A 80 23.509 2.642 -17.924 1.00 0.00 O ATOM 1257 CB HIS A 80 23.908 2.288 -15.205 1.00 0.00 C ATOM 1258 CG HIS A 80 23.806 0.795 -15.352 1.00 0.00 C ATOM 1259 ND1 HIS A 80 24.144 -0.086 -14.349 1.00 0.00 N ATOM 1260 CD2 HIS A 80 23.384 0.032 -16.388 1.00 0.00 C ATOM 1261 CE1 HIS A 80 23.939 -1.322 -14.766 1.00 0.00 C ATOM 1262 NE2 HIS A 80 23.478 -1.278 -16.000 1.00 0.00 N ATOM 1263 OXT HIS A 80 25.659 2.686 -18.353 1.00 0.00 O ATOM 0 H HIS A 80 24.254 4.878 -16.173 1.00 0.00 H new ATOM 0 HA HIS A 80 25.943 2.463 -15.817 1.00 0.00 H new ATOM 0 HB2 HIS A 80 24.108 2.526 -14.160 1.00 0.00 H new ATOM 0 HB3 HIS A 80 22.945 2.733 -15.455 1.00 0.00 H new ATOM 0 HD2 HIS A 80 23.037 0.391 -17.346 1.00 0.00 H new ATOM 0 HE1 HIS A 80 24.119 -2.219 -14.192 1.00 0.00 H new ATOM 0 HE2 HIS A 80 23.232 -2.086 -16.572 1.00 0.00 H new TER 1272 HIS A 80 ATOM 1273 N MET B 1 -1.419 -22.230 17.314 1.00 0.00 N ATOM 1274 CA MET B 1 -1.222 -23.698 17.257 1.00 0.00 C ATOM 1275 C MET B 1 0.263 -24.044 17.334 1.00 0.00 C ATOM 1276 O MET B 1 0.654 -25.184 17.071 1.00 0.00 O ATOM 1277 CB MET B 1 -1.835 -24.271 15.971 1.00 0.00 C ATOM 1278 CG MET B 1 -1.153 -23.813 14.691 1.00 0.00 C ATOM 1279 SD MET B 1 -1.923 -24.507 13.214 1.00 0.00 S ATOM 1280 CE MET B 1 -0.890 -23.805 11.930 1.00 0.00 C ATOM 0 H1 MET B 1 -2.405 -22.003 17.075 1.00 0.00 H new ATOM 0 H2 MET B 1 -1.207 -21.888 18.273 1.00 0.00 H new ATOM 0 H3 MET B 1 -0.783 -21.768 16.634 1.00 0.00 H new ATOM 0 HA MET B 1 -1.726 -24.145 18.114 1.00 0.00 H new ATOM 0 HB2 MET B 1 -1.797 -25.359 16.019 1.00 0.00 H new ATOM 0 HB3 MET B 1 -2.887 -23.990 15.928 1.00 0.00 H new ATOM 0 HG2 MET B 1 -1.183 -22.725 14.636 1.00 0.00 H new ATOM 0 HG3 MET B 1 -0.102 -24.102 14.719 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.241 -24.143 10.955 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.940 -22.717 11.977 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.141 -24.127 12.076 1.00 0.00 H new ATOM 1292 N ALA B 2 1.072 -23.048 17.719 1.00 0.00 N ATOM 1293 CA ALA B 2 2.527 -23.181 17.826 1.00 0.00 C ATOM 1294 C ALA B 2 3.190 -23.279 16.455 1.00 0.00 C ATOM 1295 O ALA B 2 2.568 -23.702 15.481 1.00 0.00 O ATOM 1296 CB ALA B 2 2.914 -24.363 18.704 1.00 0.00 C ATOM 0 H ALA B 2 0.730 -22.120 17.967 1.00 0.00 H new ATOM 0 HA ALA B 2 2.896 -22.273 18.304 1.00 0.00 H new ATOM 0 HB1 ALA B 2 4.000 -24.433 18.762 1.00 0.00 H new ATOM 0 HB2 ALA B 2 2.505 -24.222 19.705 1.00 0.00 H new ATOM 0 HB3 ALA B 2 2.514 -25.282 18.275 1.00 0.00 H new ATOM 1302 N ILE B 3 4.450 -22.835 16.399 1.00 0.00 N ATOM 1303 CA ILE B 3 5.289 -22.852 15.188 1.00 0.00 C ATOM 1304 C ILE B 3 4.828 -21.816 14.151 1.00 0.00 C ATOM 1305 O ILE B 3 5.654 -21.163 13.510 1.00 0.00 O ATOM 1306 CB ILE B 3 5.414 -24.272 14.553 1.00 0.00 C ATOM 1307 CG1 ILE B 3 6.867 -24.515 14.129 1.00 0.00 C ATOM 1308 CG2 ILE B 3 4.488 -24.457 13.351 1.00 0.00 C ATOM 1309 CD1 ILE B 3 7.125 -25.905 13.583 1.00 0.00 C ATOM 0 H ILE B 3 4.929 -22.444 17.210 1.00 0.00 H new ATOM 0 HA ILE B 3 6.289 -22.568 15.517 1.00 0.00 H new ATOM 0 HB ILE B 3 5.112 -24.998 15.308 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.141 -23.781 13.371 1.00 0.00 H new ATOM 0 HG13 ILE B 3 7.518 -24.346 14.987 1.00 0.00 H new ATOM 0 HG21 ILE B 3 4.614 -25.461 12.946 1.00 0.00 H new ATOM 0 HG22 ILE B 3 3.453 -24.319 13.664 1.00 0.00 H new ATOM 0 HG23 ILE B 3 4.736 -23.723 12.584 1.00 0.00 H new ATOM 0 HD11 ILE B 3 8.175 -25.998 13.306 1.00 0.00 H new ATOM 0 HD12 ILE B 3 6.884 -26.646 14.345 1.00 0.00 H new ATOM 0 HD13 ILE B 3 6.501 -26.072 12.705 1.00 0.00 H new ATOM 1321 N GLN B 4 3.519 -21.645 14.008 1.00 0.00 N ATOM 1322 CA GLN B 4 2.977 -20.668 13.076 1.00 0.00 C ATOM 1323 C GLN B 4 2.773 -19.327 13.775 1.00 0.00 C ATOM 1324 O GLN B 4 1.658 -18.977 14.177 1.00 0.00 O ATOM 1325 CB GLN B 4 1.663 -21.178 12.466 1.00 0.00 C ATOM 1326 CG GLN B 4 0.985 -20.197 11.512 1.00 0.00 C ATOM 1327 CD GLN B 4 1.807 -19.880 10.273 1.00 0.00 C ATOM 1328 OE1 GLN B 4 3.036 -19.895 10.299 1.00 0.00 O ATOM 1329 NE2 GLN B 4 1.126 -19.584 9.180 1.00 0.00 N ATOM 0 H GLN B 4 2.815 -22.171 14.526 1.00 0.00 H new ATOM 0 HA GLN B 4 3.690 -20.524 12.265 1.00 0.00 H new ATOM 0 HB2 GLN B 4 1.862 -22.107 11.931 1.00 0.00 H new ATOM 0 HB3 GLN B 4 0.971 -21.417 13.273 1.00 0.00 H new ATOM 0 HG2 GLN B 4 0.024 -20.609 11.204 1.00 0.00 H new ATOM 0 HG3 GLN B 4 0.777 -19.270 12.046 1.00 0.00 H new ATOM 0 HE21 GLN B 4 0.106 -19.582 9.199 1.00 0.00 H new ATOM 0 HE22 GLN B 4 1.620 -19.357 8.317 1.00 0.00 H new ATOM 1338 N SER B 5 3.869 -18.604 13.953 1.00 0.00 N ATOM 1339 CA SER B 5 3.841 -17.286 14.570 1.00 0.00 C ATOM 1340 C SER B 5 5.192 -16.588 14.420 1.00 0.00 C ATOM 1341 O SER B 5 6.069 -16.699 15.280 1.00 0.00 O ATOM 1342 CB SER B 5 3.439 -17.390 16.051 1.00 0.00 C ATOM 1343 OG SER B 5 4.124 -18.452 16.703 1.00 0.00 O ATOM 0 H SER B 5 4.800 -18.913 13.675 1.00 0.00 H new ATOM 0 HA SER B 5 3.092 -16.684 14.056 1.00 0.00 H new ATOM 0 HB2 SER B 5 3.659 -16.449 16.556 1.00 0.00 H new ATOM 0 HB3 SER B 5 2.363 -17.548 16.127 1.00 0.00 H new ATOM 0 HG SER B 5 5.089 -18.353 16.564 1.00 0.00 H new ATOM 1349 N LYS B 6 5.373 -15.901 13.299 1.00 0.00 N ATOM 1350 CA LYS B 6 6.591 -15.138 13.069 1.00 0.00 C ATOM 1351 C LYS B 6 6.535 -13.840 13.865 1.00 0.00 C ATOM 1352 O LYS B 6 7.396 -13.567 14.701 1.00 0.00 O ATOM 1353 CB LYS B 6 6.763 -14.848 11.577 1.00 0.00 C ATOM 1354 CG LYS B 6 8.038 -14.093 11.245 1.00 0.00 C ATOM 1355 CD LYS B 6 8.221 -13.935 9.745 1.00 0.00 C ATOM 1356 CE LYS B 6 9.503 -13.185 9.413 1.00 0.00 C ATOM 1357 NZ LYS B 6 10.691 -13.804 10.056 1.00 0.00 N ATOM 0 H LYS B 6 4.695 -15.857 12.539 1.00 0.00 H new ATOM 0 HA LYS B 6 7.449 -15.721 13.402 1.00 0.00 H new ATOM 0 HB2 LYS B 6 6.756 -15.791 11.030 1.00 0.00 H new ATOM 0 HB3 LYS B 6 5.908 -14.270 11.227 1.00 0.00 H new ATOM 0 HG2 LYS B 6 8.012 -13.110 11.714 1.00 0.00 H new ATOM 0 HG3 LYS B 6 8.894 -14.623 11.663 1.00 0.00 H new ATOM 0 HD2 LYS B 6 8.242 -14.918 9.275 1.00 0.00 H new ATOM 0 HD3 LYS B 6 7.368 -13.400 9.328 1.00 0.00 H new ATOM 0 HE2 LYS B 6 9.643 -13.167 8.332 1.00 0.00 H new ATOM 0 HE3 LYS B 6 9.412 -12.149 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 11.557 -13.409 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 10.677 -13.604 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 10.671 -14.833 9.904 1.00 0.00 H new ATOM 1371 N TYR B 7 5.504 -13.054 13.604 1.00 0.00 N ATOM 1372 CA TYR B 7 5.232 -11.857 14.380 1.00 0.00 C ATOM 1373 C TYR B 7 3.942 -12.053 15.158 1.00 0.00 C ATOM 1374 O TYR B 7 3.242 -13.050 14.962 1.00 0.00 O ATOM 1375 CB TYR B 7 5.093 -10.627 13.475 1.00 0.00 C ATOM 1376 CG TYR B 7 6.367 -10.193 12.784 1.00 0.00 C ATOM 1377 CD1 TYR B 7 7.327 -9.453 13.461 1.00 0.00 C ATOM 1378 CD2 TYR B 7 6.599 -10.507 11.451 1.00 0.00 C ATOM 1379 CE1 TYR B 7 8.483 -9.038 12.829 1.00 0.00 C ATOM 1380 CE2 TYR B 7 7.751 -10.091 10.811 1.00 0.00 C ATOM 1381 CZ TYR B 7 8.690 -9.359 11.504 1.00 0.00 C ATOM 1382 OH TYR B 7 9.833 -8.936 10.868 1.00 0.00 O ATOM 0 H TYR B 7 4.836 -13.226 12.853 1.00 0.00 H new ATOM 0 HA TYR B 7 6.067 -11.689 15.060 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.339 -10.837 12.716 1.00 0.00 H new ATOM 0 HB3 TYR B 7 4.720 -9.795 14.073 1.00 0.00 H new ATOM 0 HD1 TYR B 7 7.167 -9.198 14.498 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.868 -11.085 10.906 1.00 0.00 H new ATOM 0 HE1 TYR B 7 9.221 -8.465 13.370 1.00 0.00 H new ATOM 0 HE2 TYR B 7 7.914 -10.339 9.773 1.00 0.00 H new ATOM 0 HH TYR B 7 9.940 -9.427 10.027 1.00 0.00 H new ATOM 1392 N SER B 8 3.630 -11.115 16.032 1.00 0.00 N ATOM 1393 CA SER B 8 2.355 -11.123 16.724 1.00 0.00 C ATOM 1394 C SER B 8 1.276 -10.538 15.822 1.00 0.00 C ATOM 1395 O SER B 8 1.410 -9.413 15.334 1.00 0.00 O ATOM 1396 CB SER B 8 2.449 -10.322 18.029 1.00 0.00 C ATOM 1397 OG SER B 8 1.169 -10.126 18.610 1.00 0.00 O ATOM 0 H SER B 8 4.242 -10.338 16.280 1.00 0.00 H new ATOM 0 HA SER B 8 2.093 -12.152 16.971 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.094 -10.847 18.734 1.00 0.00 H new ATOM 0 HB3 SER B 8 2.913 -9.355 17.832 1.00 0.00 H new ATOM 0 HG SER B 8 1.262 -9.614 19.441 1.00 0.00 H new ATOM 1403 N ASN B 9 0.220 -11.311 15.580 1.00 0.00 N ATOM 1404 CA ASN B 9 -0.912 -10.833 14.792 1.00 0.00 C ATOM 1405 C ASN B 9 -1.508 -9.587 15.435 1.00 0.00 C ATOM 1406 O ASN B 9 -1.980 -8.683 14.744 1.00 0.00 O ATOM 1407 CB ASN B 9 -1.987 -11.923 14.633 1.00 0.00 C ATOM 1408 CG ASN B 9 -2.633 -12.350 15.945 1.00 0.00 C ATOM 1409 OD1 ASN B 9 -2.002 -12.353 17.002 1.00 0.00 O ATOM 1410 ND2 ASN B 9 -3.906 -12.711 15.883 1.00 0.00 N ATOM 0 H ASN B 9 0.125 -12.269 15.918 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.548 -10.580 13.796 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -2.763 -11.559 13.959 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.538 -12.796 14.160 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -4.395 -13.004 16.729 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -4.397 -12.696 14.989 1.00 0.00 H new ATOM 1417 N THR B 10 -1.454 -9.541 16.760 1.00 0.00 N ATOM 1418 CA THR B 10 -1.896 -8.380 17.511 1.00 0.00 C ATOM 1419 C THR B 10 -1.061 -7.160 17.130 1.00 0.00 C ATOM 1420 O THR B 10 -1.597 -6.092 16.837 1.00 0.00 O ATOM 1421 CB THR B 10 -1.761 -8.632 19.025 1.00 0.00 C ATOM 1422 OG1 THR B 10 -2.190 -9.966 19.340 1.00 0.00 O ATOM 1423 CG2 THR B 10 -2.583 -7.627 19.817 1.00 0.00 C ATOM 0 H THR B 10 -1.104 -10.304 17.339 1.00 0.00 H new ATOM 0 HA THR B 10 -2.943 -8.197 17.270 1.00 0.00 H new ATOM 0 HB THR B 10 -0.713 -8.514 19.299 1.00 0.00 H new ATOM 0 HG1 THR B 10 -2.100 -10.120 20.304 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.472 -7.825 20.883 1.00 0.00 H new ATOM 0 HG22 THR B 10 -2.234 -6.618 19.597 1.00 0.00 H new ATOM 0 HG23 THR B 10 -3.633 -7.716 19.539 1.00 0.00 H new ATOM 1431 N GLN B 11 0.257 -7.343 17.117 1.00 0.00 N ATOM 1432 CA GLN B 11 1.193 -6.270 16.793 1.00 0.00 C ATOM 1433 C GLN B 11 0.959 -5.744 15.381 1.00 0.00 C ATOM 1434 O GLN B 11 0.842 -4.535 15.172 1.00 0.00 O ATOM 1435 CB GLN B 11 2.634 -6.776 16.924 1.00 0.00 C ATOM 1436 CG GLN B 11 3.686 -5.729 16.590 1.00 0.00 C ATOM 1437 CD GLN B 11 3.698 -4.571 17.571 1.00 0.00 C ATOM 1438 OE1 GLN B 11 3.378 -4.736 18.746 1.00 0.00 O ATOM 1439 NE2 GLN B 11 4.069 -3.395 17.092 1.00 0.00 N ATOM 0 H GLN B 11 0.704 -8.235 17.330 1.00 0.00 H new ATOM 0 HA GLN B 11 1.028 -5.453 17.495 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.795 -7.126 17.944 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.769 -7.635 16.267 1.00 0.00 H new ATOM 0 HG2 GLN B 11 4.669 -6.200 16.579 1.00 0.00 H new ATOM 0 HG3 GLN B 11 3.504 -5.346 15.586 1.00 0.00 H new ATOM 0 HE21 GLN B 11 4.327 -3.303 16.109 1.00 0.00 H new ATOM 0 HE22 GLN B 11 4.097 -2.580 17.705 1.00 0.00 H new ATOM 1448 N VAL B 12 0.885 -6.658 14.420 1.00 0.00 N ATOM 1449 CA VAL B 12 0.726 -6.288 13.018 1.00 0.00 C ATOM 1450 C VAL B 12 -0.580 -5.534 12.792 1.00 0.00 C ATOM 1451 O VAL B 12 -0.587 -4.467 12.178 1.00 0.00 O ATOM 1452 CB VAL B 12 0.763 -7.528 12.095 1.00 0.00 C ATOM 1453 CG1 VAL B 12 0.680 -7.115 10.631 1.00 0.00 C ATOM 1454 CG2 VAL B 12 2.016 -8.351 12.350 1.00 0.00 C ATOM 0 H VAL B 12 0.933 -7.663 14.587 1.00 0.00 H new ATOM 0 HA VAL B 12 1.564 -5.638 12.768 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.105 -8.147 12.324 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.708 -8.003 10.000 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.251 -6.576 10.457 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.524 -6.470 10.387 1.00 0.00 H new ATOM 0 HG21 VAL B 12 2.022 -9.219 11.690 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.898 -7.741 12.155 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.027 -8.684 13.388 1.00 0.00 H new ATOM 1464 N GLU B 13 -1.676 -6.084 13.305 1.00 0.00 N ATOM 1465 CA GLU B 13 -2.989 -5.474 13.132 1.00 0.00 C ATOM 1466 C GLU B 13 -3.036 -4.098 13.797 1.00 0.00 C ATOM 1467 O GLU B 13 -3.607 -3.154 13.249 1.00 0.00 O ATOM 1468 CB GLU B 13 -4.082 -6.393 13.689 1.00 0.00 C ATOM 1469 CG GLU B 13 -5.495 -5.886 13.449 1.00 0.00 C ATOM 1470 CD GLU B 13 -6.550 -6.932 13.749 1.00 0.00 C ATOM 1471 OE1 GLU B 13 -6.876 -7.136 14.935 1.00 0.00 O ATOM 1472 OE2 GLU B 13 -7.065 -7.557 12.796 1.00 0.00 O ATOM 0 H GLU B 13 -1.681 -6.950 13.843 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.171 -5.337 12.066 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.979 -7.379 13.237 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.928 -6.516 14.761 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.672 -5.008 14.071 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.591 -5.566 12.411 1.00 0.00 H new ATOM 1479 N SER B 14 -2.407 -3.982 14.961 1.00 0.00 N ATOM 1480 CA SER B 14 -2.339 -2.711 15.664 1.00 0.00 C ATOM 1481 C SER B 14 -1.494 -1.705 14.884 1.00 0.00 C ATOM 1482 O SER B 14 -1.807 -0.516 14.856 1.00 0.00 O ATOM 1483 CB SER B 14 -1.766 -2.905 17.069 1.00 0.00 C ATOM 1484 OG SER B 14 -2.562 -3.805 17.823 1.00 0.00 O ATOM 0 H SER B 14 -1.938 -4.753 15.436 1.00 0.00 H new ATOM 0 HA SER B 14 -3.352 -2.317 15.751 1.00 0.00 H new ATOM 0 HB2 SER B 14 -0.747 -3.285 17.001 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.714 -1.944 17.580 1.00 0.00 H new ATOM 0 HG SER B 14 -2.464 -4.710 17.461 1.00 0.00 H new ATOM 1490 N LEU B 15 -0.432 -2.187 14.243 1.00 0.00 N ATOM 1491 CA LEU B 15 0.431 -1.327 13.444 1.00 0.00 C ATOM 1492 C LEU B 15 -0.334 -0.778 12.245 1.00 0.00 C ATOM 1493 O LEU B 15 -0.268 0.415 11.946 1.00 0.00 O ATOM 1494 CB LEU B 15 1.670 -2.092 12.971 1.00 0.00 C ATOM 1495 CG LEU B 15 2.720 -1.240 12.256 1.00 0.00 C ATOM 1496 CD1 LEU B 15 3.283 -0.191 13.201 1.00 0.00 C ATOM 1497 CD2 LEU B 15 3.837 -2.112 11.705 1.00 0.00 C ATOM 0 H LEU B 15 -0.150 -3.167 14.262 1.00 0.00 H new ATOM 0 HA LEU B 15 0.756 -0.494 14.068 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.136 -2.568 13.834 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.352 -2.890 12.300 1.00 0.00 H new ATOM 0 HG LEU B 15 2.238 -0.733 11.420 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.029 0.407 12.678 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.477 0.456 13.548 1.00 0.00 H new ATOM 0 HD13 LEU B 15 3.747 -0.683 14.056 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.573 -1.485 11.201 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.317 -2.648 12.523 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.423 -2.828 10.995 1.00 0.00 H new ATOM 1509 N ILE B 16 -1.066 -1.659 11.573 1.00 0.00 N ATOM 1510 CA ILE B 16 -1.917 -1.258 10.462 1.00 0.00 C ATOM 1511 C ILE B 16 -2.899 -0.184 10.920 1.00 0.00 C ATOM 1512 O ILE B 16 -3.117 0.813 10.231 1.00 0.00 O ATOM 1513 CB ILE B 16 -2.696 -2.466 9.892 1.00 0.00 C ATOM 1514 CG1 ILE B 16 -1.723 -3.533 9.386 1.00 0.00 C ATOM 1515 CG2 ILE B 16 -3.635 -2.030 8.776 1.00 0.00 C ATOM 1516 CD1 ILE B 16 -2.401 -4.808 8.931 1.00 0.00 C ATOM 0 H ILE B 16 -1.086 -2.658 11.780 1.00 0.00 H new ATOM 0 HA ILE B 16 -1.279 -0.858 9.674 1.00 0.00 H new ATOM 0 HB ILE B 16 -3.299 -2.893 10.694 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -1.147 -3.123 8.557 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -1.015 -3.772 10.179 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -4.171 -2.898 8.392 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -4.350 -1.305 9.165 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.057 -1.575 7.971 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.648 -5.517 8.586 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -2.955 -5.243 9.763 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -3.089 -4.583 8.116 1.00 0.00 H new ATOM 1528 N ALA B 17 -3.462 -0.389 12.107 1.00 0.00 N ATOM 1529 CA ALA B 17 -4.391 0.566 12.694 1.00 0.00 C ATOM 1530 C ALA B 17 -3.725 1.923 12.912 1.00 0.00 C ATOM 1531 O ALA B 17 -4.329 2.953 12.642 1.00 0.00 O ATOM 1532 CB ALA B 17 -4.945 0.029 14.003 1.00 0.00 C ATOM 0 H ALA B 17 -3.289 -1.213 12.682 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.216 0.706 11.995 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -5.638 0.754 14.430 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.469 -0.909 13.819 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -4.126 -0.144 14.701 1.00 0.00 H new ATOM 1538 N GLU B 18 -2.475 1.911 13.380 1.00 0.00 N ATOM 1539 CA GLU B 18 -1.722 3.147 13.619 1.00 0.00 C ATOM 1540 C GLU B 18 -1.710 4.014 12.363 1.00 0.00 C ATOM 1541 O GLU B 18 -2.004 5.211 12.405 1.00 0.00 O ATOM 1542 CB GLU B 18 -0.275 2.824 14.010 1.00 0.00 C ATOM 1543 CG GLU B 18 -0.125 2.038 15.303 1.00 0.00 C ATOM 1544 CD GLU B 18 -0.341 2.882 16.540 1.00 0.00 C ATOM 1545 OE1 GLU B 18 0.632 3.519 17.003 1.00 0.00 O ATOM 1546 OE2 GLU B 18 -1.473 2.899 17.066 1.00 0.00 O ATOM 0 H GLU B 18 -1.961 1.058 13.602 1.00 0.00 H new ATOM 0 HA GLU B 18 -2.209 3.686 14.431 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.188 2.258 13.201 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.279 3.758 14.103 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -0.838 1.213 15.304 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.872 1.598 15.340 1.00 0.00 H new ATOM 1553 N ILE B 19 -1.386 3.383 11.245 1.00 0.00 N ATOM 1554 CA ILE B 19 -1.271 4.074 9.969 1.00 0.00 C ATOM 1555 C ILE B 19 -2.642 4.560 9.485 1.00 0.00 C ATOM 1556 O ILE B 19 -2.797 5.704 9.031 1.00 0.00 O ATOM 1557 CB ILE B 19 -0.649 3.139 8.912 1.00 0.00 C ATOM 1558 CG1 ILE B 19 0.508 2.348 9.529 1.00 0.00 C ATOM 1559 CG2 ILE B 19 -0.152 3.942 7.725 1.00 0.00 C ATOM 1560 CD1 ILE B 19 1.054 1.261 8.631 1.00 0.00 C ATOM 0 H ILE B 19 -1.196 2.382 11.196 1.00 0.00 H new ATOM 0 HA ILE B 19 -0.625 4.940 10.110 1.00 0.00 H new ATOM 0 HB ILE B 19 -1.414 2.443 8.568 1.00 0.00 H new ATOM 0 HG12 ILE B 19 1.314 3.038 9.780 1.00 0.00 H new ATOM 0 HG13 ILE B 19 0.171 1.899 10.463 1.00 0.00 H new ATOM 0 HG21 ILE B 19 0.284 3.269 6.987 1.00 0.00 H new ATOM 0 HG22 ILE B 19 -0.986 4.481 7.276 1.00 0.00 H new ATOM 0 HG23 ILE B 19 0.603 4.654 8.058 1.00 0.00 H new ATOM 0 HD11 ILE B 19 1.870 0.746 9.138 1.00 0.00 H new ATOM 0 HD12 ILE B 19 0.263 0.548 8.400 1.00 0.00 H new ATOM 0 HD13 ILE B 19 1.423 1.704 7.706 1.00 0.00 H new ATOM 1572 N LEU B 20 -3.639 3.687 9.606 1.00 0.00 N ATOM 1573 CA LEU B 20 -5.005 4.016 9.217 1.00 0.00 C ATOM 1574 C LEU B 20 -5.531 5.187 10.039 1.00 0.00 C ATOM 1575 O LEU B 20 -6.206 6.072 9.512 1.00 0.00 O ATOM 1576 CB LEU B 20 -5.919 2.802 9.397 1.00 0.00 C ATOM 1577 CG LEU B 20 -5.576 1.595 8.524 1.00 0.00 C ATOM 1578 CD1 LEU B 20 -6.446 0.408 8.901 1.00 0.00 C ATOM 1579 CD2 LEU B 20 -5.748 1.933 7.050 1.00 0.00 C ATOM 0 H LEU B 20 -3.524 2.742 9.972 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.999 4.302 8.165 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -5.887 2.495 10.442 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -6.944 3.104 9.185 1.00 0.00 H new ATOM 0 HG LEU B 20 -4.532 1.331 8.695 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -6.191 -0.444 8.271 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.277 0.150 9.947 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -7.495 0.665 8.756 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.499 1.061 6.445 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.782 2.222 6.861 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.086 2.758 6.786 1.00 0.00 H new ATOM 1591 N VAL B 21 -5.204 5.191 11.328 1.00 0.00 N ATOM 1592 CA VAL B 21 -5.599 6.275 12.214 1.00 0.00 C ATOM 1593 C VAL B 21 -5.046 7.604 11.717 1.00 0.00 C ATOM 1594 O VAL B 21 -5.750 8.602 11.732 1.00 0.00 O ATOM 1595 CB VAL B 21 -5.150 6.033 13.677 1.00 0.00 C ATOM 1596 CG1 VAL B 21 -5.333 7.286 14.523 1.00 0.00 C ATOM 1597 CG2 VAL B 21 -5.929 4.881 14.289 1.00 0.00 C ATOM 0 H VAL B 21 -4.665 4.453 11.781 1.00 0.00 H new ATOM 0 HA VAL B 21 -6.688 6.309 12.204 1.00 0.00 H new ATOM 0 HB VAL B 21 -4.090 5.779 13.661 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -5.010 7.086 15.544 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -4.736 8.097 14.106 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -6.384 7.573 14.525 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -5.601 4.725 15.317 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -6.993 5.116 14.280 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -5.753 3.974 13.710 1.00 0.00 H new ATOM 1607 N VAL B 22 -3.798 7.610 11.255 1.00 0.00 N ATOM 1608 CA VAL B 22 -3.200 8.823 10.702 1.00 0.00 C ATOM 1609 C VAL B 22 -4.066 9.389 9.581 1.00 0.00 C ATOM 1610 O VAL B 22 -4.422 10.571 9.592 1.00 0.00 O ATOM 1611 CB VAL B 22 -1.773 8.571 10.165 1.00 0.00 C ATOM 1612 CG1 VAL B 22 -1.231 9.804 9.455 1.00 0.00 C ATOM 1613 CG2 VAL B 22 -0.847 8.172 11.298 1.00 0.00 C ATOM 0 H VAL B 22 -3.185 6.795 11.252 1.00 0.00 H new ATOM 0 HA VAL B 22 -3.138 9.544 11.517 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.823 7.756 9.443 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.226 9.599 9.087 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.880 10.056 8.616 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -1.199 10.641 10.153 1.00 0.00 H new ATOM 0 HG21 VAL B 22 0.155 7.998 10.905 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -0.812 8.971 12.038 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.217 7.260 11.766 1.00 0.00 H new ATOM 1623 N LEU B 23 -4.406 8.541 8.618 1.00 0.00 N ATOM 1624 CA LEU B 23 -5.266 8.958 7.510 1.00 0.00 C ATOM 1625 C LEU B 23 -6.648 9.404 7.992 1.00 0.00 C ATOM 1626 O LEU B 23 -7.078 10.528 7.710 1.00 0.00 O ATOM 1627 CB LEU B 23 -5.424 7.822 6.496 1.00 0.00 C ATOM 1628 CG LEU B 23 -4.133 7.369 5.811 1.00 0.00 C ATOM 1629 CD1 LEU B 23 -4.420 6.206 4.876 1.00 0.00 C ATOM 1630 CD2 LEU B 23 -3.495 8.521 5.046 1.00 0.00 C ATOM 0 H LEU B 23 -4.104 7.568 8.579 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.781 9.811 7.035 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -5.867 6.964 7.003 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -6.131 8.138 5.729 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.431 7.041 6.577 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.495 5.891 4.393 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.834 5.374 5.446 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.138 6.518 4.117 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.579 8.176 4.567 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.188 8.881 4.286 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -3.261 9.331 5.737 1.00 0.00 H new ATOM 1642 N GLU B 24 -7.326 8.536 8.729 1.00 0.00 N ATOM 1643 CA GLU B 24 -8.720 8.762 9.099 1.00 0.00 C ATOM 1644 C GLU B 24 -8.876 9.865 10.145 1.00 0.00 C ATOM 1645 O GLU B 24 -9.942 10.470 10.255 1.00 0.00 O ATOM 1646 CB GLU B 24 -9.350 7.465 9.599 1.00 0.00 C ATOM 1647 CG GLU B 24 -9.355 6.363 8.551 1.00 0.00 C ATOM 1648 CD GLU B 24 -10.161 5.155 8.973 1.00 0.00 C ATOM 1649 OE1 GLU B 24 -11.402 5.191 8.837 1.00 0.00 O ATOM 1650 OE2 GLU B 24 -9.567 4.155 9.416 1.00 0.00 O ATOM 0 H GLU B 24 -6.933 7.665 9.085 1.00 0.00 H new ATOM 0 HA GLU B 24 -9.240 9.097 8.202 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -8.807 7.120 10.479 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -10.374 7.663 9.914 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.760 6.757 7.619 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.329 6.056 8.348 1.00 0.00 H new ATOM 1657 N LYS B 25 -7.818 10.124 10.904 1.00 0.00 N ATOM 1658 CA LYS B 25 -7.830 11.180 11.915 1.00 0.00 C ATOM 1659 C LYS B 25 -8.125 12.534 11.287 1.00 0.00 C ATOM 1660 O LYS B 25 -8.981 13.275 11.762 1.00 0.00 O ATOM 1661 CB LYS B 25 -6.483 11.230 12.641 1.00 0.00 C ATOM 1662 CG LYS B 25 -6.330 12.392 13.606 1.00 0.00 C ATOM 1663 CD LYS B 25 -4.981 12.352 14.309 1.00 0.00 C ATOM 1664 CE LYS B 25 -4.872 11.157 15.245 1.00 0.00 C ATOM 1665 NZ LYS B 25 -5.838 11.249 16.372 1.00 0.00 N ATOM 0 H LYS B 25 -6.936 9.616 10.840 1.00 0.00 H new ATOM 0 HA LYS B 25 -8.619 10.952 12.631 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.346 10.298 13.190 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -5.686 11.283 11.899 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.433 13.333 13.065 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -7.129 12.361 14.346 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.184 12.307 13.566 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -4.838 13.272 14.875 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -5.053 10.239 14.685 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.858 11.095 15.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.582 10.559 17.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.812 12.208 16.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -6.797 11.045 16.025 1.00 0.00 H new ATOM 1679 N HIS B 26 -7.426 12.844 10.207 1.00 0.00 N ATOM 1680 CA HIS B 26 -7.592 14.137 9.558 1.00 0.00 C ATOM 1681 C HIS B 26 -8.571 14.027 8.398 1.00 0.00 C ATOM 1682 O HIS B 26 -8.771 14.984 7.650 1.00 0.00 O ATOM 1683 CB HIS B 26 -6.239 14.694 9.091 1.00 0.00 C ATOM 1684 CG HIS B 26 -5.709 14.114 7.821 1.00 0.00 C ATOM 1685 ND1 HIS B 26 -5.852 14.736 6.603 1.00 0.00 N ATOM 1686 CD2 HIS B 26 -4.996 12.990 7.587 1.00 0.00 C ATOM 1687 CE1 HIS B 26 -5.253 14.025 5.675 1.00 0.00 C ATOM 1688 NE2 HIS B 26 -4.722 12.957 6.244 1.00 0.00 N ATOM 0 H HIS B 26 -6.745 12.227 9.764 1.00 0.00 H new ATOM 0 HA HIS B 26 -8.004 14.837 10.285 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -6.334 15.773 8.966 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -5.505 14.528 9.880 1.00 0.00 H new ATOM 0 HD1 HIS B 26 -6.347 15.614 6.445 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -4.698 12.255 8.320 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -5.203 14.272 4.625 1.00 0.00 H new ATOM 1697 N LYS B 27 -9.153 12.841 8.251 1.00 0.00 N ATOM 1698 CA LYS B 27 -10.187 12.592 7.252 1.00 0.00 C ATOM 1699 C LYS B 27 -9.601 12.684 5.845 1.00 0.00 C ATOM 1700 O LYS B 27 -10.174 13.309 4.953 1.00 0.00 O ATOM 1701 CB LYS B 27 -11.362 13.570 7.425 1.00 0.00 C ATOM 1702 CG LYS B 27 -12.567 13.243 6.554 1.00 0.00 C ATOM 1703 CD LYS B 27 -13.587 14.368 6.559 1.00 0.00 C ATOM 1704 CE LYS B 27 -14.667 14.129 5.519 1.00 0.00 C ATOM 1705 NZ LYS B 27 -15.628 15.257 5.439 1.00 0.00 N ATOM 0 H LYS B 27 -8.922 12.027 8.820 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.570 11.582 7.397 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -11.671 13.571 8.470 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.020 14.579 7.192 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -12.237 13.056 5.532 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -13.035 12.326 6.911 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.040 14.448 7.547 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -13.088 15.316 6.359 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -14.203 13.979 4.544 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -15.205 13.212 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -16.347 15.050 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -16.091 15.385 6.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -15.121 16.128 5.183 1.00 0.00 H new ATOM 1719 N ALA B 28 -8.432 12.078 5.663 1.00 0.00 N ATOM 1720 CA ALA B 28 -7.844 11.939 4.333 1.00 0.00 C ATOM 1721 C ALA B 28 -8.835 11.298 3.363 1.00 0.00 C ATOM 1722 O ALA B 28 -9.222 10.142 3.544 1.00 0.00 O ATOM 1723 CB ALA B 28 -6.574 11.105 4.395 1.00 0.00 C ATOM 0 H ALA B 28 -7.874 11.676 6.416 1.00 0.00 H new ATOM 0 HA ALA B 28 -7.597 12.937 3.971 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -6.150 11.012 3.395 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -5.852 11.590 5.052 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -6.808 10.114 4.783 1.00 0.00 H new ATOM 1729 N PRO B 29 -9.269 12.047 2.334 1.00 0.00 N ATOM 1730 CA PRO B 29 -10.205 11.539 1.326 1.00 0.00 C ATOM 1731 C PRO B 29 -9.621 10.363 0.554 1.00 0.00 C ATOM 1732 O PRO B 29 -8.404 10.188 0.520 1.00 0.00 O ATOM 1733 CB PRO B 29 -10.423 12.735 0.389 1.00 0.00 C ATOM 1734 CG PRO B 29 -9.985 13.927 1.169 1.00 0.00 C ATOM 1735 CD PRO B 29 -8.891 13.444 2.076 1.00 0.00 C ATOM 0 HA PRO B 29 -11.126 11.169 1.776 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.842 12.629 -0.527 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.469 12.819 0.095 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.625 14.716 0.508 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.813 14.344 1.743 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -7.912 13.516 1.602 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.843 14.026 2.996 1.00 0.00 H new ATOM 1743 N THR B 30 -10.491 9.576 -0.067 1.00 0.00 N ATOM 1744 CA THR B 30 -10.091 8.364 -0.781 1.00 0.00 C ATOM 1745 C THR B 30 -8.960 8.628 -1.783 1.00 0.00 C ATOM 1746 O THR B 30 -8.009 7.851 -1.877 1.00 0.00 O ATOM 1747 CB THR B 30 -11.296 7.756 -1.523 1.00 0.00 C ATOM 1748 OG1 THR B 30 -12.435 7.719 -0.649 1.00 0.00 O ATOM 1749 CG2 THR B 30 -10.988 6.347 -2.011 1.00 0.00 C ATOM 0 H THR B 30 -11.494 9.758 -0.091 1.00 0.00 H new ATOM 0 HA THR B 30 -9.722 7.663 -0.033 1.00 0.00 H new ATOM 0 HB THR B 30 -11.511 8.382 -2.389 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.200 7.333 -1.125 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.857 5.944 -2.531 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.138 6.376 -2.693 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.748 5.711 -1.159 1.00 0.00 H new ATOM 1757 N ASP B 31 -9.056 9.733 -2.514 1.00 0.00 N ATOM 1758 CA ASP B 31 -8.047 10.078 -3.517 1.00 0.00 C ATOM 1759 C ASP B 31 -6.711 10.383 -2.852 1.00 0.00 C ATOM 1760 O ASP B 31 -5.648 10.043 -3.371 1.00 0.00 O ATOM 1761 CB ASP B 31 -8.482 11.300 -4.329 1.00 0.00 C ATOM 1762 CG ASP B 31 -9.897 11.192 -4.853 1.00 0.00 C ATOM 1763 OD1 ASP B 31 -10.092 10.660 -5.962 1.00 0.00 O ATOM 1764 OD2 ASP B 31 -10.821 11.656 -4.150 1.00 0.00 O ATOM 0 H ASP B 31 -9.819 10.405 -2.434 1.00 0.00 H new ATOM 0 HA ASP B 31 -7.939 9.221 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.399 12.191 -3.706 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -7.799 11.433 -5.168 1.00 0.00 H new ATOM 1769 N LEU B 32 -6.780 11.009 -1.688 1.00 0.00 N ATOM 1770 CA LEU B 32 -5.590 11.475 -0.994 1.00 0.00 C ATOM 1771 C LEU B 32 -4.966 10.353 -0.168 1.00 0.00 C ATOM 1772 O LEU B 32 -3.743 10.276 -0.041 1.00 0.00 O ATOM 1773 CB LEU B 32 -5.940 12.670 -0.102 1.00 0.00 C ATOM 1774 CG LEU B 32 -4.757 13.353 0.590 1.00 0.00 C ATOM 1775 CD1 LEU B 32 -3.759 13.867 -0.436 1.00 0.00 C ATOM 1776 CD2 LEU B 32 -5.249 14.492 1.471 1.00 0.00 C ATOM 0 H LEU B 32 -7.654 11.207 -1.201 1.00 0.00 H new ATOM 0 HA LEU B 32 -4.857 11.791 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -6.460 13.412 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.641 12.336 0.663 1.00 0.00 H new ATOM 0 HG LEU B 32 -4.253 12.618 1.218 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.926 14.349 0.076 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.386 13.033 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.249 14.588 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.398 14.969 1.957 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.775 15.225 0.859 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.927 14.099 2.229 1.00 0.00 H new ATOM 1788 N SER B 33 -5.801 9.482 0.382 1.00 0.00 N ATOM 1789 CA SER B 33 -5.318 8.368 1.181 1.00 0.00 C ATOM 1790 C SER B 33 -4.585 7.357 0.305 1.00 0.00 C ATOM 1791 O SER B 33 -3.482 6.921 0.637 1.00 0.00 O ATOM 1792 CB SER B 33 -6.479 7.702 1.923 1.00 0.00 C ATOM 1793 OG SER B 33 -7.540 7.392 1.040 1.00 0.00 O ATOM 0 H SER B 33 -6.816 9.527 0.289 1.00 0.00 H new ATOM 0 HA SER B 33 -4.613 8.751 1.919 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.129 6.791 2.409 1.00 0.00 H new ATOM 0 HB3 SER B 33 -6.839 8.365 2.710 1.00 0.00 H new ATOM 0 HG SER B 33 -8.268 6.966 1.540 1.00 0.00 H new ATOM 1799 N LEU B 34 -5.196 7.003 -0.825 1.00 0.00 N ATOM 1800 CA LEU B 34 -4.567 6.103 -1.784 1.00 0.00 C ATOM 1801 C LEU B 34 -3.292 6.723 -2.340 1.00 0.00 C ATOM 1802 O LEU B 34 -2.286 6.038 -2.521 1.00 0.00 O ATOM 1803 CB LEU B 34 -5.528 5.770 -2.930 1.00 0.00 C ATOM 1804 CG LEU B 34 -6.772 4.972 -2.530 1.00 0.00 C ATOM 1805 CD1 LEU B 34 -7.678 4.763 -3.733 1.00 0.00 C ATOM 1806 CD2 LEU B 34 -6.376 3.634 -1.926 1.00 0.00 C ATOM 0 H LEU B 34 -6.125 7.326 -1.096 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.314 5.180 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -5.849 6.702 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.983 5.206 -3.687 1.00 0.00 H new ATOM 0 HG LEU B 34 -7.319 5.541 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -8.558 4.194 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.989 5.731 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.138 4.214 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.273 3.081 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.807 3.059 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.764 3.802 -1.040 1.00 0.00 H new ATOM 1818 N MET B 35 -3.339 8.029 -2.599 1.00 0.00 N ATOM 1819 CA MET B 35 -2.171 8.756 -3.087 1.00 0.00 C ATOM 1820 C MET B 35 -1.025 8.665 -2.083 1.00 0.00 C ATOM 1821 O MET B 35 0.091 8.284 -2.435 1.00 0.00 O ATOM 1822 CB MET B 35 -2.523 10.226 -3.343 1.00 0.00 C ATOM 1823 CG MET B 35 -1.350 11.068 -3.827 1.00 0.00 C ATOM 1824 SD MET B 35 -0.713 10.540 -5.434 1.00 0.00 S ATOM 1825 CE MET B 35 -2.156 10.786 -6.469 1.00 0.00 C ATOM 0 H MET B 35 -4.173 8.604 -2.479 1.00 0.00 H new ATOM 0 HA MET B 35 -1.854 8.300 -4.025 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.322 10.274 -4.083 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.914 10.661 -2.423 1.00 0.00 H new ATOM 0 HG2 MET B 35 -1.661 12.111 -3.891 1.00 0.00 H new ATOM 0 HG3 MET B 35 -0.547 11.019 -3.091 1.00 0.00 H new ATOM 0 HE1 MET B 35 -1.852 10.817 -7.515 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.856 9.964 -6.318 1.00 0.00 H new ATOM 0 HE3 MET B 35 -2.638 11.727 -6.204 1.00 0.00 H new ATOM 1835 N ALA B 36 -1.311 9.005 -0.833 1.00 0.00 N ATOM 1836 CA ALA B 36 -0.305 8.974 0.219 1.00 0.00 C ATOM 1837 C ALA B 36 0.206 7.556 0.443 1.00 0.00 C ATOM 1838 O ALA B 36 1.415 7.320 0.467 1.00 0.00 O ATOM 1839 CB ALA B 36 -0.867 9.548 1.511 1.00 0.00 C ATOM 0 H ALA B 36 -2.235 9.306 -0.523 1.00 0.00 H new ATOM 0 HA ALA B 36 0.536 9.591 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.101 9.517 2.286 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.175 10.581 1.347 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.728 8.958 1.827 1.00 0.00 H new ATOM 1845 N LEU B 37 -0.721 6.614 0.582 1.00 0.00 N ATOM 1846 CA LEU B 37 -0.377 5.223 0.856 1.00 0.00 C ATOM 1847 C LEU B 37 0.444 4.626 -0.281 1.00 0.00 C ATOM 1848 O LEU B 37 1.450 3.959 -0.042 1.00 0.00 O ATOM 1849 CB LEU B 37 -1.648 4.399 1.071 1.00 0.00 C ATOM 1850 CG LEU B 37 -1.707 3.614 2.383 1.00 0.00 C ATOM 1851 CD1 LEU B 37 -0.636 2.535 2.415 1.00 0.00 C ATOM 1852 CD2 LEU B 37 -1.553 4.552 3.568 1.00 0.00 C ATOM 0 H LEU B 37 -1.723 6.790 0.509 1.00 0.00 H new ATOM 0 HA LEU B 37 0.227 5.196 1.763 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.507 5.069 1.029 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.751 3.698 0.243 1.00 0.00 H new ATOM 0 HG LEU B 37 -2.681 3.129 2.448 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.697 1.990 3.357 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.790 1.845 1.586 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.348 2.996 2.326 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.597 3.979 4.494 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.593 5.065 3.504 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.358 5.287 3.558 1.00 0.00 H new ATOM 1864 N GLY B 38 0.017 4.883 -1.512 1.00 0.00 N ATOM 1865 CA GLY B 38 0.715 4.364 -2.673 1.00 0.00 C ATOM 1866 C GLY B 38 2.166 4.793 -2.712 1.00 0.00 C ATOM 1867 O GLY B 38 3.057 3.980 -2.959 1.00 0.00 O ATOM 0 H GLY B 38 -0.806 5.446 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY B 38 0.661 3.275 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.213 4.706 -3.578 1.00 0.00 H new ATOM 1871 N ASN B 39 2.409 6.070 -2.445 1.00 0.00 N ATOM 1872 CA ASN B 39 3.768 6.592 -2.443 1.00 0.00 C ATOM 1873 C ASN B 39 4.568 6.025 -1.276 1.00 0.00 C ATOM 1874 O ASN B 39 5.769 5.809 -1.393 1.00 0.00 O ATOM 1875 CB ASN B 39 3.776 8.123 -2.393 1.00 0.00 C ATOM 1876 CG ASN B 39 3.434 8.762 -3.731 1.00 0.00 C ATOM 1877 OD1 ASN B 39 4.310 8.999 -4.563 1.00 0.00 O ATOM 1878 ND2 ASN B 39 2.164 9.056 -3.947 1.00 0.00 N ATOM 0 H ASN B 39 1.688 6.758 -2.229 1.00 0.00 H new ATOM 0 HA ASN B 39 4.239 6.278 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN B 39 3.062 8.460 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN B 39 4.760 8.466 -2.074 1.00 0.00 H new ATOM 0 HD21 ASN B 39 1.884 9.493 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN B 39 1.464 8.846 -3.236 1.00 0.00 H new ATOM 1885 N CYS B 40 3.898 5.766 -0.157 1.00 0.00 N ATOM 1886 CA CYS B 40 4.561 5.197 1.015 1.00 0.00 C ATOM 1887 C CYS B 40 5.024 3.769 0.740 1.00 0.00 C ATOM 1888 O CYS B 40 6.171 3.418 1.024 1.00 0.00 O ATOM 1889 CB CYS B 40 3.631 5.224 2.231 1.00 0.00 C ATOM 1890 SG CYS B 40 3.165 6.885 2.768 1.00 0.00 S ATOM 0 H CYS B 40 2.900 5.940 -0.036 1.00 0.00 H new ATOM 0 HA CYS B 40 5.437 5.808 1.232 1.00 0.00 H new ATOM 0 HB2 CYS B 40 2.727 4.663 1.996 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.119 4.710 3.059 1.00 0.00 H new ATOM 0 HG CYS B 40 2.322 7.395 1.920 1.00 0.00 H new ATOM 1896 N VAL B 41 4.132 2.955 0.178 1.00 0.00 N ATOM 1897 CA VAL B 41 4.452 1.569 -0.165 1.00 0.00 C ATOM 1898 C VAL B 41 5.655 1.513 -1.109 1.00 0.00 C ATOM 1899 O VAL B 41 6.584 0.730 -0.903 1.00 0.00 O ATOM 1900 CB VAL B 41 3.238 0.859 -0.821 1.00 0.00 C ATOM 1901 CG1 VAL B 41 3.578 -0.569 -1.227 1.00 0.00 C ATOM 1902 CG2 VAL B 41 2.046 0.864 0.123 1.00 0.00 C ATOM 0 H VAL B 41 3.177 3.232 -0.051 1.00 0.00 H new ATOM 0 HA VAL B 41 4.699 1.048 0.760 1.00 0.00 H new ATOM 0 HB VAL B 41 2.981 1.413 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL B 41 2.705 -1.035 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL B 41 4.399 -0.558 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.874 -1.137 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL B 41 1.203 0.362 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL B 41 2.308 0.341 1.043 1.00 0.00 H new ATOM 0 HG23 VAL B 41 1.771 1.893 0.357 1.00 0.00 H new ATOM 1912 N THR B 42 5.646 2.377 -2.116 1.00 0.00 N ATOM 1913 CA THR B 42 6.726 2.427 -3.091 1.00 0.00 C ATOM 1914 C THR B 42 8.011 2.966 -2.455 1.00 0.00 C ATOM 1915 O THR B 42 9.108 2.487 -2.741 1.00 0.00 O ATOM 1916 CB THR B 42 6.344 3.312 -4.296 1.00 0.00 C ATOM 1917 OG1 THR B 42 4.971 3.096 -4.645 1.00 0.00 O ATOM 1918 CG2 THR B 42 7.212 2.990 -5.501 1.00 0.00 C ATOM 0 H THR B 42 4.900 3.054 -2.278 1.00 0.00 H new ATOM 0 HA THR B 42 6.898 1.408 -3.439 1.00 0.00 H new ATOM 0 HB THR B 42 6.499 4.353 -4.012 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.399 3.673 -4.096 1.00 0.00 H new ATOM 0 HG21 THR B 42 6.924 3.627 -6.338 1.00 0.00 H new ATOM 0 HG22 THR B 42 8.259 3.168 -5.253 1.00 0.00 H new ATOM 0 HG23 THR B 42 7.077 1.944 -5.778 1.00 0.00 H new ATOM 1926 N HIS B 43 7.858 3.946 -1.566 1.00 0.00 N ATOM 1927 CA HIS B 43 8.997 4.592 -0.915 1.00 0.00 C ATOM 1928 C HIS B 43 9.756 3.609 -0.028 1.00 0.00 C ATOM 1929 O HIS B 43 10.975 3.713 0.128 1.00 0.00 O ATOM 1930 CB HIS B 43 8.523 5.796 -0.090 1.00 0.00 C ATOM 1931 CG HIS B 43 9.630 6.650 0.452 1.00 0.00 C ATOM 1932 ND1 HIS B 43 10.158 7.718 -0.237 1.00 0.00 N ATOM 1933 CD2 HIS B 43 10.293 6.603 1.630 1.00 0.00 C ATOM 1934 CE1 HIS B 43 11.098 8.289 0.492 1.00 0.00 C ATOM 1935 NE2 HIS B 43 11.199 7.632 1.632 1.00 0.00 N ATOM 0 H HIS B 43 6.950 4.312 -1.279 1.00 0.00 H new ATOM 0 HA HIS B 43 9.678 4.939 -1.692 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.875 6.414 -0.711 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.918 5.435 0.742 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.137 5.887 2.423 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.685 9.149 0.204 1.00 0.00 H new ATOM 0 HE2 HIS B 43 11.845 7.853 2.390 1.00 0.00 H new ATOM 1944 N LEU B 44 9.035 2.662 0.557 1.00 0.00 N ATOM 1945 CA LEU B 44 9.662 1.634 1.378 1.00 0.00 C ATOM 1946 C LEU B 44 10.523 0.728 0.510 1.00 0.00 C ATOM 1947 O LEU B 44 11.618 0.320 0.905 1.00 0.00 O ATOM 1948 CB LEU B 44 8.606 0.804 2.109 1.00 0.00 C ATOM 1949 CG LEU B 44 7.744 1.578 3.106 1.00 0.00 C ATOM 1950 CD1 LEU B 44 6.717 0.658 3.740 1.00 0.00 C ATOM 1951 CD2 LEU B 44 8.614 2.224 4.176 1.00 0.00 C ATOM 0 H LEU B 44 8.021 2.584 0.479 1.00 0.00 H new ATOM 0 HA LEU B 44 10.291 2.124 2.121 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.952 0.344 1.368 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.107 -0.006 2.639 1.00 0.00 H new ATOM 0 HG LEU B 44 7.218 2.368 2.569 1.00 0.00 H new ATOM 0 HD11 LEU B 44 6.110 1.223 4.448 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.075 0.240 2.965 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.227 -0.151 4.264 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.983 2.771 4.877 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.166 1.452 4.711 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.316 2.913 3.707 1.00 0.00 H new ATOM 1963 N LEU B 45 10.027 0.442 -0.687 1.00 0.00 N ATOM 1964 CA LEU B 45 10.740 -0.396 -1.639 1.00 0.00 C ATOM 1965 C LEU B 45 12.036 0.267 -2.091 1.00 0.00 C ATOM 1966 O LEU B 45 12.997 -0.414 -2.433 1.00 0.00 O ATOM 1967 CB LEU B 45 9.859 -0.694 -2.853 1.00 0.00 C ATOM 1968 CG LEU B 45 8.673 -1.623 -2.587 1.00 0.00 C ATOM 1969 CD1 LEU B 45 7.789 -1.729 -3.821 1.00 0.00 C ATOM 1970 CD2 LEU B 45 9.168 -3.000 -2.172 1.00 0.00 C ATOM 0 H LEU B 45 9.126 0.782 -1.022 1.00 0.00 H new ATOM 0 HA LEU B 45 10.988 -1.332 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.480 0.249 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU B 45 10.480 -1.138 -3.632 1.00 0.00 H new ATOM 0 HG LEU B 45 8.080 -1.203 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU B 45 6.951 -2.394 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.411 -0.741 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.371 -2.128 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU B 45 8.315 -3.652 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.780 -3.422 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.764 -2.914 -1.264 1.00 0.00 H new ATOM 1982 N GLU B 46 12.051 1.596 -2.085 1.00 0.00 N ATOM 1983 CA GLU B 46 13.219 2.356 -2.517 1.00 0.00 C ATOM 1984 C GLU B 46 14.416 2.135 -1.596 1.00 0.00 C ATOM 1985 O GLU B 46 15.443 1.599 -2.006 1.00 0.00 O ATOM 1986 CB GLU B 46 12.906 3.851 -2.555 1.00 0.00 C ATOM 1987 CG GLU B 46 11.840 4.248 -3.558 1.00 0.00 C ATOM 1988 CD GLU B 46 11.595 5.742 -3.554 1.00 0.00 C ATOM 1989 OE1 GLU B 46 12.440 6.486 -4.096 1.00 0.00 O ATOM 1990 OE2 GLU B 46 10.572 6.184 -2.995 1.00 0.00 O ATOM 0 H GLU B 46 11.264 2.171 -1.784 1.00 0.00 H new ATOM 0 HA GLU B 46 13.472 1.999 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU B 46 12.587 4.167 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.822 4.395 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.144 3.932 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.911 3.726 -3.327 1.00 0.00 H new ATOM 1997 N ARG B 47 14.271 2.543 -0.346 1.00 0.00 N ATOM 1998 CA ARG B 47 15.412 2.628 0.555 1.00 0.00 C ATOM 1999 C ARG B 47 15.663 1.331 1.314 1.00 0.00 C ATOM 2000 O ARG B 47 16.785 1.084 1.757 1.00 0.00 O ATOM 2001 CB ARG B 47 15.222 3.794 1.524 1.00 0.00 C ATOM 2002 CG ARG B 47 15.339 5.150 0.846 1.00 0.00 C ATOM 2003 CD ARG B 47 15.026 6.293 1.796 1.00 0.00 C ATOM 2004 NE ARG B 47 15.818 6.231 3.024 1.00 0.00 N ATOM 2005 CZ ARG B 47 16.866 7.010 3.280 1.00 0.00 C ATOM 2006 NH1 ARG B 47 17.332 7.843 2.356 1.00 0.00 N ATOM 2007 NH2 ARG B 47 17.469 6.932 4.460 1.00 0.00 N ATOM 0 H ARG B 47 13.381 2.819 0.068 1.00 0.00 H new ATOM 0 HA ARG B 47 16.297 2.803 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG B 47 14.243 3.712 1.996 1.00 0.00 H new ATOM 0 HB3 ARG B 47 15.965 3.725 2.318 1.00 0.00 H new ATOM 0 HG2 ARG B 47 16.348 5.272 0.453 1.00 0.00 H new ATOM 0 HG3 ARG B 47 14.658 5.189 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG B 47 15.214 7.242 1.293 1.00 0.00 H new ATOM 0 HD3 ARG B 47 13.966 6.271 2.049 1.00 0.00 H new ATOM 0 HE ARG B 47 15.549 5.546 3.730 1.00 0.00 H new ATOM 0 HH11 ARG B 47 16.886 7.890 1.440 1.00 0.00 H new ATOM 0 HH12 ARG B 47 18.136 8.436 2.563 1.00 0.00 H new ATOM 0 HH21 ARG B 47 17.129 6.278 5.164 1.00 0.00 H new ATOM 0 HH22 ARG B 47 18.273 7.526 4.662 1.00 0.00 H new ATOM 2021 N LYS B 48 14.643 0.502 1.459 1.00 0.00 N ATOM 2022 CA LYS B 48 14.802 -0.745 2.198 1.00 0.00 C ATOM 2023 C LYS B 48 15.068 -1.923 1.269 1.00 0.00 C ATOM 2024 O LYS B 48 15.645 -2.931 1.682 1.00 0.00 O ATOM 2025 CB LYS B 48 13.572 -1.034 3.061 1.00 0.00 C ATOM 2026 CG LYS B 48 13.485 -0.179 4.316 1.00 0.00 C ATOM 2027 CD LYS B 48 14.725 -0.345 5.182 1.00 0.00 C ATOM 2028 CE LYS B 48 14.546 0.292 6.550 1.00 0.00 C ATOM 2029 NZ LYS B 48 13.520 -0.418 7.359 1.00 0.00 N ATOM 0 H LYS B 48 13.709 0.663 1.083 1.00 0.00 H new ATOM 0 HA LYS B 48 15.669 -0.620 2.847 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.675 -0.876 2.462 1.00 0.00 H new ATOM 0 HB3 LYS B 48 13.581 -2.085 3.349 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.370 0.869 4.038 1.00 0.00 H new ATOM 0 HG3 LYS B 48 12.599 -0.456 4.888 1.00 0.00 H new ATOM 0 HD2 LYS B 48 14.946 -1.406 5.301 1.00 0.00 H new ATOM 0 HD3 LYS B 48 15.582 0.105 4.681 1.00 0.00 H new ATOM 0 HE2 LYS B 48 15.497 0.285 7.082 1.00 0.00 H new ATOM 0 HE3 LYS B 48 14.256 1.336 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 13.623 -0.154 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 12.571 -0.152 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.648 -1.445 7.257 1.00 0.00 H new ATOM 2043 N VAL B 49 14.662 -1.801 0.015 1.00 0.00 N ATOM 2044 CA VAL B 49 14.774 -2.910 -0.918 1.00 0.00 C ATOM 2045 C VAL B 49 15.647 -2.533 -2.117 1.00 0.00 C ATOM 2046 O VAL B 49 15.466 -1.478 -2.723 1.00 0.00 O ATOM 2047 CB VAL B 49 13.381 -3.369 -1.413 1.00 0.00 C ATOM 2048 CG1 VAL B 49 13.488 -4.659 -2.210 1.00 0.00 C ATOM 2049 CG2 VAL B 49 12.420 -3.541 -0.243 1.00 0.00 C ATOM 0 H VAL B 49 14.255 -0.952 -0.378 1.00 0.00 H new ATOM 0 HA VAL B 49 15.245 -3.735 -0.384 1.00 0.00 H new ATOM 0 HB VAL B 49 12.985 -2.594 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL B 49 12.497 -4.962 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.132 -4.500 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL B 49 13.912 -5.442 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL B 49 11.448 -3.864 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL B 49 12.813 -4.291 0.443 1.00 0.00 H new ATOM 0 HG23 VAL B 49 12.311 -2.591 0.281 1.00 0.00 H new ATOM 2059 N PRO B 50 16.631 -3.381 -2.449 1.00 0.00 N ATOM 2060 CA PRO B 50 17.465 -3.199 -3.643 1.00 0.00 C ATOM 2061 C PRO B 50 16.622 -3.190 -4.914 1.00 0.00 C ATOM 2062 O PRO B 50 15.646 -3.929 -5.011 1.00 0.00 O ATOM 2063 CB PRO B 50 18.400 -4.413 -3.616 1.00 0.00 C ATOM 2064 CG PRO B 50 18.397 -4.868 -2.199 1.00 0.00 C ATOM 2065 CD PRO B 50 17.019 -4.578 -1.685 1.00 0.00 C ATOM 0 HA PRO B 50 17.998 -2.248 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO B 50 18.047 -5.199 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO B 50 19.405 -4.145 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO B 50 18.626 -5.931 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO B 50 19.152 -4.340 -1.616 1.00 0.00 H new ATOM 0 HD2 PRO B 50 16.338 -5.410 -1.863 1.00 0.00 H new ATOM 0 HD3 PRO B 50 17.019 -4.390 -0.611 1.00 0.00 H new ATOM 2073 N SER B 51 17.013 -2.359 -5.877 1.00 0.00 N ATOM 2074 CA SER B 51 16.247 -2.118 -7.102 1.00 0.00 C ATOM 2075 C SER B 51 15.767 -3.407 -7.786 1.00 0.00 C ATOM 2076 O SER B 51 14.647 -3.458 -8.297 1.00 0.00 O ATOM 2077 CB SER B 51 17.110 -1.309 -8.064 1.00 0.00 C ATOM 2078 OG SER B 51 17.699 -0.206 -7.393 1.00 0.00 O ATOM 0 H SER B 51 17.881 -1.826 -5.830 1.00 0.00 H new ATOM 0 HA SER B 51 15.347 -1.570 -6.824 1.00 0.00 H new ATOM 0 HB2 SER B 51 17.889 -1.944 -8.486 1.00 0.00 H new ATOM 0 HB3 SER B 51 16.503 -0.954 -8.897 1.00 0.00 H new ATOM 0 HG SER B 51 18.251 0.303 -8.023 1.00 0.00 H new ATOM 2084 N GLU B 52 16.603 -4.438 -7.786 1.00 0.00 N ATOM 2085 CA GLU B 52 16.257 -5.702 -8.424 1.00 0.00 C ATOM 2086 C GLU B 52 15.104 -6.392 -7.693 1.00 0.00 C ATOM 2087 O GLU B 52 14.087 -6.731 -8.298 1.00 0.00 O ATOM 2088 CB GLU B 52 17.474 -6.638 -8.514 1.00 0.00 C ATOM 2089 CG GLU B 52 18.293 -6.748 -7.233 1.00 0.00 C ATOM 2090 CD GLU B 52 19.310 -5.634 -7.088 1.00 0.00 C ATOM 2091 OE1 GLU B 52 18.947 -4.543 -6.616 1.00 0.00 O ATOM 2092 OE2 GLU B 52 20.484 -5.846 -7.449 1.00 0.00 O ATOM 0 H GLU B 52 17.526 -4.424 -7.351 1.00 0.00 H new ATOM 0 HA GLU B 52 15.931 -5.474 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU B 52 17.129 -7.633 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU B 52 18.125 -6.289 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU B 52 17.621 -6.734 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU B 52 18.808 -7.708 -7.218 1.00 0.00 H new ATOM 2099 N SER B 53 15.254 -6.566 -6.384 1.00 0.00 N ATOM 2100 CA SER B 53 14.218 -7.197 -5.577 1.00 0.00 C ATOM 2101 C SER B 53 13.018 -6.266 -5.443 1.00 0.00 C ATOM 2102 O SER B 53 11.890 -6.712 -5.266 1.00 0.00 O ATOM 2103 CB SER B 53 14.771 -7.550 -4.193 1.00 0.00 C ATOM 2104 OG SER B 53 15.918 -8.384 -4.288 1.00 0.00 O ATOM 0 H SER B 53 16.081 -6.279 -5.861 1.00 0.00 H new ATOM 0 HA SER B 53 13.896 -8.114 -6.071 1.00 0.00 H new ATOM 0 HB2 SER B 53 15.028 -6.635 -3.659 1.00 0.00 H new ATOM 0 HB3 SER B 53 14.000 -8.054 -3.610 1.00 0.00 H new ATOM 0 HG SER B 53 16.248 -8.590 -3.389 1.00 0.00 H new ATOM 2110 N ARG B 54 13.283 -4.971 -5.546 1.00 0.00 N ATOM 2111 CA ARG B 54 12.263 -3.936 -5.443 1.00 0.00 C ATOM 2112 C ARG B 54 11.118 -4.192 -6.419 1.00 0.00 C ATOM 2113 O ARG B 54 9.947 -4.166 -6.045 1.00 0.00 O ATOM 2114 CB ARG B 54 12.913 -2.581 -5.728 1.00 0.00 C ATOM 2115 CG ARG B 54 12.004 -1.381 -5.547 1.00 0.00 C ATOM 2116 CD ARG B 54 12.748 -0.088 -5.858 1.00 0.00 C ATOM 2117 NE ARG B 54 13.944 0.063 -5.032 1.00 0.00 N ATOM 2118 CZ ARG B 54 14.992 0.815 -5.367 1.00 0.00 C ATOM 2119 NH1 ARG B 54 14.948 1.583 -6.448 1.00 0.00 N ATOM 2120 NH2 ARG B 54 16.069 0.829 -4.595 1.00 0.00 N ATOM 0 H ARG B 54 14.222 -4.605 -5.705 1.00 0.00 H new ATOM 0 HA ARG B 54 11.843 -3.945 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG B 54 13.777 -2.465 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG B 54 13.287 -2.583 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG B 54 11.137 -1.474 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.630 -1.354 -4.524 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.030 -0.075 -6.911 1.00 0.00 H new ATOM 0 HD3 ARG B 54 12.084 0.761 -5.695 1.00 0.00 H new ATOM 0 HE ARG B 54 13.979 -0.438 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.109 1.600 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.753 2.156 -6.699 1.00 0.00 H new ATOM 0 HH21 ARG B 54 16.095 0.265 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG B 54 16.872 1.404 -4.850 1.00 0.00 H new ATOM 2134 N GLN B 55 11.465 -4.464 -7.670 1.00 0.00 N ATOM 2135 CA GLN B 55 10.465 -4.684 -8.703 1.00 0.00 C ATOM 2136 C GLN B 55 9.868 -6.083 -8.581 1.00 0.00 C ATOM 2137 O GLN B 55 8.707 -6.307 -8.922 1.00 0.00 O ATOM 2138 CB GLN B 55 11.077 -4.473 -10.087 1.00 0.00 C ATOM 2139 CG GLN B 55 10.048 -4.380 -11.203 1.00 0.00 C ATOM 2140 CD GLN B 55 10.665 -4.000 -12.534 1.00 0.00 C ATOM 2141 OE1 GLN B 55 11.750 -3.242 -12.494 1.00 0.00 O flip ATOM 2142 NE2 GLN B 55 10.170 -4.381 -13.594 1.00 0.00 N flip ATOM 0 H GLN B 55 12.430 -4.537 -7.992 1.00 0.00 H new ATOM 0 HA GLN B 55 9.661 -3.960 -8.570 1.00 0.00 H new ATOM 0 HB2 GLN B 55 11.672 -3.560 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN B 55 11.760 -5.295 -10.302 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.539 -5.338 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN B 55 9.291 -3.643 -10.934 1.00 0.00 H new ATOM 0 HE21 GLN B 55 9.333 -4.964 -13.586 1.00 0.00 H new ATOM 0 HE22 GLN B 55 10.596 -4.114 -14.481 1.00 0.00 H new ATOM 2151 N ALA B 56 10.664 -7.018 -8.076 1.00 0.00 N ATOM 2152 CA ALA B 56 10.195 -8.379 -7.858 1.00 0.00 C ATOM 2153 C ALA B 56 9.144 -8.413 -6.751 1.00 0.00 C ATOM 2154 O ALA B 56 8.111 -9.070 -6.880 1.00 0.00 O ATOM 2155 CB ALA B 56 11.360 -9.295 -7.516 1.00 0.00 C ATOM 0 H ALA B 56 11.636 -6.858 -7.810 1.00 0.00 H new ATOM 0 HA ALA B 56 9.735 -8.736 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA B 56 10.991 -10.308 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA B 56 12.076 -9.295 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.848 -8.939 -6.609 1.00 0.00 H new ATOM 2161 N VAL B 57 9.412 -7.689 -5.669 1.00 0.00 N ATOM 2162 CA VAL B 57 8.465 -7.576 -4.568 1.00 0.00 C ATOM 2163 C VAL B 57 7.192 -6.879 -5.034 1.00 0.00 C ATOM 2164 O VAL B 57 6.101 -7.209 -4.581 1.00 0.00 O ATOM 2165 CB VAL B 57 9.068 -6.816 -3.362 1.00 0.00 C ATOM 2166 CG1 VAL B 57 8.031 -6.612 -2.266 1.00 0.00 C ATOM 2167 CG2 VAL B 57 10.274 -7.558 -2.806 1.00 0.00 C ATOM 0 H VAL B 57 10.280 -7.171 -5.532 1.00 0.00 H new ATOM 0 HA VAL B 57 8.227 -8.588 -4.240 1.00 0.00 H new ATOM 0 HB VAL B 57 9.390 -5.837 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL B 57 8.484 -6.076 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL B 57 7.195 -6.033 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL B 57 7.671 -7.581 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL B 57 10.682 -7.006 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL B 57 9.970 -8.552 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL B 57 11.035 -7.648 -3.581 1.00 0.00 H new ATOM 2177 N ALA B 58 7.335 -5.930 -5.955 1.00 0.00 N ATOM 2178 CA ALA B 58 6.185 -5.228 -6.521 1.00 0.00 C ATOM 2179 C ALA B 58 5.241 -6.209 -7.215 1.00 0.00 C ATOM 2180 O ALA B 58 4.025 -6.154 -7.027 1.00 0.00 O ATOM 2181 CB ALA B 58 6.644 -4.147 -7.489 1.00 0.00 C ATOM 0 H ALA B 58 8.236 -5.629 -6.326 1.00 0.00 H new ATOM 0 HA ALA B 58 5.640 -4.751 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.775 -3.635 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA B 58 7.272 -3.429 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA B 58 7.214 -4.602 -8.299 1.00 0.00 H new ATOM 2187 N GLU B 59 5.813 -7.114 -8.006 1.00 0.00 N ATOM 2188 CA GLU B 59 5.033 -8.162 -8.662 1.00 0.00 C ATOM 2189 C GLU B 59 4.323 -9.034 -7.628 1.00 0.00 C ATOM 2190 O GLU B 59 3.127 -9.302 -7.742 1.00 0.00 O ATOM 2191 CB GLU B 59 5.934 -9.035 -9.539 1.00 0.00 C ATOM 2192 CG GLU B 59 6.485 -8.325 -10.766 1.00 0.00 C ATOM 2193 CD GLU B 59 5.403 -7.955 -11.764 1.00 0.00 C ATOM 2194 OE1 GLU B 59 4.761 -8.874 -12.321 1.00 0.00 O ATOM 2195 OE2 GLU B 59 5.205 -6.750 -12.013 1.00 0.00 O ATOM 0 H GLU B 59 6.812 -7.143 -8.208 1.00 0.00 H new ATOM 0 HA GLU B 59 4.285 -7.679 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU B 59 6.768 -9.397 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU B 59 5.370 -9.910 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU B 59 7.009 -7.422 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU B 59 7.219 -8.967 -11.253 1.00 0.00 H new ATOM 2202 N GLN B 60 5.073 -9.460 -6.613 1.00 0.00 N ATOM 2203 CA GLN B 60 4.525 -10.284 -5.536 1.00 0.00 C ATOM 2204 C GLN B 60 3.411 -9.545 -4.797 1.00 0.00 C ATOM 2205 O GLN B 60 2.389 -10.135 -4.438 1.00 0.00 O ATOM 2206 CB GLN B 60 5.633 -10.672 -4.552 1.00 0.00 C ATOM 2207 CG GLN B 60 6.726 -11.535 -5.162 1.00 0.00 C ATOM 2208 CD GLN B 60 7.847 -11.837 -4.184 1.00 0.00 C ATOM 2209 OE1 GLN B 60 8.106 -10.913 -3.270 1.00 0.00 O flip ATOM 2210 NE2 GLN B 60 8.478 -12.890 -4.253 1.00 0.00 N flip ATOM 0 H GLN B 60 6.066 -9.247 -6.514 1.00 0.00 H new ATOM 0 HA GLN B 60 4.106 -11.187 -5.979 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.083 -9.764 -4.150 1.00 0.00 H new ATOM 0 HB3 GLN B 60 5.189 -11.206 -3.712 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.292 -12.472 -5.511 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.138 -11.029 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.248 -13.576 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.232 -13.077 -3.592 1.00 0.00 H new ATOM 2219 N PHE B 61 3.618 -8.252 -4.584 1.00 0.00 N ATOM 2220 CA PHE B 61 2.646 -7.411 -3.903 1.00 0.00 C ATOM 2221 C PHE B 61 1.333 -7.384 -4.674 1.00 0.00 C ATOM 2222 O PHE B 61 0.260 -7.517 -4.090 1.00 0.00 O ATOM 2223 CB PHE B 61 3.194 -5.988 -3.747 1.00 0.00 C ATOM 2224 CG PHE B 61 2.288 -5.067 -2.978 1.00 0.00 C ATOM 2225 CD1 PHE B 61 2.382 -4.978 -1.600 1.00 0.00 C ATOM 2226 CD2 PHE B 61 1.343 -4.292 -3.633 1.00 0.00 C ATOM 2227 CE1 PHE B 61 1.555 -4.132 -0.890 1.00 0.00 C ATOM 2228 CE2 PHE B 61 0.513 -3.444 -2.928 1.00 0.00 C ATOM 2229 CZ PHE B 61 0.618 -3.365 -1.554 1.00 0.00 C ATOM 0 H PHE B 61 4.462 -7.759 -4.878 1.00 0.00 H new ATOM 0 HA PHE B 61 2.461 -7.828 -2.913 1.00 0.00 H new ATOM 0 HB2 PHE B 61 4.160 -6.034 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE B 61 3.369 -5.566 -4.737 1.00 0.00 H new ATOM 0 HD1 PHE B 61 3.111 -5.577 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.255 -4.353 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.640 -4.070 0.185 1.00 0.00 H new ATOM 0 HE2 PHE B 61 -0.217 -2.844 -3.450 1.00 0.00 H new ATOM 0 HZ PHE B 61 -0.032 -2.704 -0.999 1.00 0.00 H new ATOM 2239 N ALA B 62 1.433 -7.227 -5.988 1.00 0.00 N ATOM 2240 CA ALA B 62 0.261 -7.195 -6.853 1.00 0.00 C ATOM 2241 C ALA B 62 -0.560 -8.471 -6.708 1.00 0.00 C ATOM 2242 O ALA B 62 -1.791 -8.430 -6.671 1.00 0.00 O ATOM 2243 CB ALA B 62 0.681 -6.995 -8.301 1.00 0.00 C ATOM 0 H ALA B 62 2.320 -7.119 -6.480 1.00 0.00 H new ATOM 0 HA ALA B 62 -0.364 -6.355 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -0.204 -6.973 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.220 -6.052 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.328 -7.816 -8.609 1.00 0.00 H new ATOM 2249 N LYS B 63 0.130 -9.603 -6.612 1.00 0.00 N ATOM 2250 CA LYS B 63 -0.531 -10.892 -6.443 1.00 0.00 C ATOM 2251 C LYS B 63 -1.265 -10.933 -5.105 1.00 0.00 C ATOM 2252 O LYS B 63 -2.447 -11.275 -5.040 1.00 0.00 O ATOM 2253 CB LYS B 63 0.489 -12.036 -6.496 1.00 0.00 C ATOM 2254 CG LYS B 63 1.494 -11.926 -7.631 1.00 0.00 C ATOM 2255 CD LYS B 63 0.831 -11.970 -8.999 1.00 0.00 C ATOM 2256 CE LYS B 63 1.845 -11.715 -10.104 1.00 0.00 C ATOM 2257 NZ LYS B 63 1.252 -11.857 -11.461 1.00 0.00 N ATOM 0 H LYS B 63 1.148 -9.654 -6.648 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.246 -11.016 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS B 63 1.029 -12.070 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.047 -12.981 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS B 63 2.051 -10.995 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.216 -12.739 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS B 63 0.361 -12.942 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS B 63 0.039 -11.223 -9.048 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.255 -10.711 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.676 -12.412 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.981 -11.674 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 0.884 -12.822 -11.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 0.476 -11.174 -11.574 1.00 0.00 H new ATOM 2271 N ALA B 64 -0.555 -10.562 -4.044 1.00 0.00 N ATOM 2272 CA ALA B 64 -1.105 -10.599 -2.696 1.00 0.00 C ATOM 2273 C ALA B 64 -2.268 -9.622 -2.540 1.00 0.00 C ATOM 2274 O ALA B 64 -3.272 -9.939 -1.906 1.00 0.00 O ATOM 2275 CB ALA B 64 -0.017 -10.296 -1.674 1.00 0.00 C ATOM 0 H ALA B 64 0.408 -10.231 -4.094 1.00 0.00 H new ATOM 0 HA ALA B 64 -1.489 -11.604 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -0.442 -10.327 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA B 64 0.776 -11.039 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA B 64 0.394 -9.305 -1.864 1.00 0.00 H new ATOM 2281 N LEU B 65 -2.123 -8.443 -3.126 1.00 0.00 N ATOM 2282 CA LEU B 65 -3.149 -7.409 -3.045 1.00 0.00 C ATOM 2283 C LEU B 65 -4.434 -7.882 -3.720 1.00 0.00 C ATOM 2284 O LEU B 65 -5.528 -7.724 -3.180 1.00 0.00 O ATOM 2285 CB LEU B 65 -2.647 -6.131 -3.713 1.00 0.00 C ATOM 2286 CG LEU B 65 -3.415 -4.855 -3.370 1.00 0.00 C ATOM 2287 CD1 LEU B 65 -3.203 -4.485 -1.912 1.00 0.00 C ATOM 2288 CD2 LEU B 65 -2.976 -3.711 -4.272 1.00 0.00 C ATOM 0 H LEU B 65 -1.300 -8.176 -3.666 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.363 -7.205 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.601 -5.988 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.678 -6.272 -4.793 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.477 -5.038 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -3.756 -3.574 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.559 -5.295 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.141 -4.320 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.533 -2.810 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -1.910 -3.530 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.171 -3.973 -5.312 1.00 0.00 H new ATOM 2300 N ALA B 66 -4.289 -8.478 -4.897 1.00 0.00 N ATOM 2301 CA ALA B 66 -5.430 -9.008 -5.625 1.00 0.00 C ATOM 2302 C ALA B 66 -6.110 -10.116 -4.829 1.00 0.00 C ATOM 2303 O ALA B 66 -7.333 -10.128 -4.681 1.00 0.00 O ATOM 2304 CB ALA B 66 -4.997 -9.521 -6.990 1.00 0.00 C ATOM 0 H ALA B 66 -3.392 -8.605 -5.366 1.00 0.00 H new ATOM 0 HA ALA B 66 -6.149 -8.202 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA B 66 -5.863 -9.914 -7.522 1.00 0.00 H new ATOM 0 HB2 ALA B 66 -4.559 -8.704 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -4.258 -10.313 -6.864 1.00 0.00 H new ATOM 2310 N GLN B 67 -5.305 -11.030 -4.295 1.00 0.00 N ATOM 2311 CA GLN B 67 -5.827 -12.154 -3.528 1.00 0.00 C ATOM 2312 C GLN B 67 -6.537 -11.690 -2.262 1.00 0.00 C ATOM 2313 O GLN B 67 -7.606 -12.196 -1.929 1.00 0.00 O ATOM 2314 CB GLN B 67 -4.712 -13.134 -3.159 1.00 0.00 C ATOM 2315 CG GLN B 67 -4.141 -13.893 -4.344 1.00 0.00 C ATOM 2316 CD GLN B 67 -3.128 -14.943 -3.928 1.00 0.00 C ATOM 2317 OE1 GLN B 67 -2.429 -14.792 -2.926 1.00 0.00 O ATOM 2318 NE2 GLN B 67 -3.058 -16.025 -4.685 1.00 0.00 N ATOM 0 H GLN B 67 -4.289 -11.013 -4.380 1.00 0.00 H new ATOM 0 HA GLN B 67 -6.552 -12.662 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -3.907 -12.585 -2.670 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -5.097 -13.850 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -4.953 -14.373 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -3.669 -13.189 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -3.655 -16.111 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -2.407 -16.773 -4.446 1.00 0.00 H new ATOM 2327 N SER B 68 -5.957 -10.719 -1.565 1.00 0.00 N ATOM 2328 CA SER B 68 -6.511 -10.274 -0.292 1.00 0.00 C ATOM 2329 C SER B 68 -7.879 -9.621 -0.478 1.00 0.00 C ATOM 2330 O SER B 68 -8.754 -9.755 0.374 1.00 0.00 O ATOM 2331 CB SER B 68 -5.537 -9.330 0.421 1.00 0.00 C ATOM 2332 OG SER B 68 -4.996 -8.369 -0.469 1.00 0.00 O ATOM 0 H SER B 68 -5.111 -10.229 -1.857 1.00 0.00 H new ATOM 0 HA SER B 68 -6.654 -11.152 0.338 1.00 0.00 H new ATOM 0 HB2 SER B 68 -6.053 -8.822 1.236 1.00 0.00 H new ATOM 0 HB3 SER B 68 -4.729 -9.909 0.867 1.00 0.00 H new ATOM 0 HG SER B 68 -4.255 -8.769 -0.971 1.00 0.00 H new ATOM 2338 N VAL B 69 -8.066 -8.937 -1.601 1.00 0.00 N ATOM 2339 CA VAL B 69 -9.361 -8.349 -1.926 1.00 0.00 C ATOM 2340 C VAL B 69 -10.340 -9.423 -2.396 1.00 0.00 C ATOM 2341 O VAL B 69 -11.479 -9.497 -1.932 1.00 0.00 O ATOM 2342 CB VAL B 69 -9.244 -7.273 -3.033 1.00 0.00 C ATOM 2343 CG1 VAL B 69 -10.614 -6.726 -3.407 1.00 0.00 C ATOM 2344 CG2 VAL B 69 -8.326 -6.143 -2.600 1.00 0.00 C ATOM 0 H VAL B 69 -7.341 -8.776 -2.300 1.00 0.00 H new ATOM 0 HA VAL B 69 -9.729 -7.880 -1.013 1.00 0.00 H new ATOM 0 HB VAL B 69 -8.811 -7.749 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -10.504 -5.972 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -11.242 -7.538 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -11.078 -6.276 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -8.262 -5.401 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.724 -5.675 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -7.332 -6.540 -2.393 1.00 0.00 H new ATOM 2354 N LYS B 70 -9.874 -10.268 -3.305 1.00 0.00 N ATOM 2355 CA LYS B 70 -10.733 -11.229 -3.980 1.00 0.00 C ATOM 2356 C LYS B 70 -11.237 -12.309 -3.021 1.00 0.00 C ATOM 2357 O LYS B 70 -12.379 -12.750 -3.125 1.00 0.00 O ATOM 2358 CB LYS B 70 -9.980 -11.857 -5.154 1.00 0.00 C ATOM 2359 CG LYS B 70 -10.885 -12.348 -6.271 1.00 0.00 C ATOM 2360 CD LYS B 70 -10.089 -12.676 -7.522 1.00 0.00 C ATOM 2361 CE LYS B 70 -10.996 -12.952 -8.714 1.00 0.00 C ATOM 2362 NZ LYS B 70 -11.844 -14.153 -8.504 1.00 0.00 N ATOM 0 H LYS B 70 -8.896 -10.307 -3.593 1.00 0.00 H new ATOM 0 HA LYS B 70 -11.608 -10.699 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.283 -11.124 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.386 -12.693 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -11.427 -13.234 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -11.629 -11.586 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.423 -11.846 -7.757 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.460 -13.546 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -11.633 -12.086 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -10.388 -13.090 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -12.210 -14.484 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -11.277 -14.906 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -12.640 -13.911 -7.880 1.00 0.00 H new ATOM 2376 N SER B 71 -10.398 -12.708 -2.070 1.00 0.00 N ATOM 2377 CA SER B 71 -10.759 -13.766 -1.124 1.00 0.00 C ATOM 2378 C SER B 71 -11.894 -13.331 -0.192 1.00 0.00 C ATOM 2379 O SER B 71 -12.604 -14.169 0.370 1.00 0.00 O ATOM 2380 CB SER B 71 -9.535 -14.191 -0.310 1.00 0.00 C ATOM 2381 OG SER B 71 -8.869 -13.068 0.245 1.00 0.00 O ATOM 0 H SER B 71 -9.466 -12.318 -1.932 1.00 0.00 H new ATOM 0 HA SER B 71 -11.116 -14.618 -1.702 1.00 0.00 H new ATOM 0 HB2 SER B 71 -9.843 -14.865 0.489 1.00 0.00 H new ATOM 0 HB3 SER B 71 -8.847 -14.746 -0.947 1.00 0.00 H new ATOM 0 HG SER B 71 -8.126 -12.807 -0.338 1.00 0.00 H new ATOM 2387 N ASN B 72 -12.069 -12.022 -0.038 1.00 0.00 N ATOM 2388 CA ASN B 72 -13.149 -11.491 0.788 1.00 0.00 C ATOM 2389 C ASN B 72 -14.443 -11.445 -0.011 1.00 0.00 C ATOM 2390 O ASN B 72 -15.523 -11.240 0.540 1.00 0.00 O ATOM 2391 CB ASN B 72 -12.820 -10.085 1.308 1.00 0.00 C ATOM 2392 CG ASN B 72 -11.573 -10.043 2.173 1.00 0.00 C ATOM 2393 OD1 ASN B 72 -11.201 -11.032 2.809 1.00 0.00 O ATOM 2394 ND2 ASN B 72 -10.937 -8.884 2.227 1.00 0.00 N ATOM 0 H ASN B 72 -11.480 -11.312 -0.472 1.00 0.00 H new ATOM 0 HA ASN B 72 -13.267 -12.154 1.645 1.00 0.00 H new ATOM 0 HB2 ASN B 72 -12.689 -9.413 0.460 1.00 0.00 H new ATOM 0 HB3 ASN B 72 -13.666 -9.710 1.884 1.00 0.00 H new ATOM 0 HD21 ASN B 72 -10.106 -8.785 2.810 1.00 0.00 H new ATOM 0 HD22 ASN B 72 -11.277 -8.090 1.685 1.00 0.00 H new ATOM 2401 N LEU B 73 -14.324 -11.637 -1.316 1.00 0.00 N ATOM 2402 CA LEU B 73 -15.474 -11.600 -2.203 1.00 0.00 C ATOM 2403 C LEU B 73 -15.913 -13.020 -2.547 1.00 0.00 C ATOM 2404 O LEU B 73 -17.103 -13.335 -2.479 1.00 0.00 O ATOM 2405 CB LEU B 73 -15.124 -10.807 -3.476 1.00 0.00 C ATOM 2406 CG LEU B 73 -16.304 -10.362 -4.360 1.00 0.00 C ATOM 2407 CD1 LEU B 73 -16.872 -11.521 -5.169 1.00 0.00 C ATOM 2408 CD2 LEU B 73 -17.395 -9.723 -3.510 1.00 0.00 C ATOM 0 H LEU B 73 -13.437 -11.821 -1.785 1.00 0.00 H new ATOM 0 HA LEU B 73 -16.303 -11.100 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -14.566 -9.918 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -14.455 -11.416 -4.083 1.00 0.00 H new ATOM 0 HG LEU B 73 -15.925 -9.622 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -17.702 -11.166 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -16.095 -11.929 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -17.226 -12.298 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -18.221 -9.414 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -17.754 -10.445 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -16.991 -8.852 -2.994 1.00 0.00 H new ATOM 2420 N GLU B 74 -14.939 -13.869 -2.889 1.00 0.00 N ATOM 2421 CA GLU B 74 -15.202 -15.246 -3.318 1.00 0.00 C ATOM 2422 C GLU B 74 -16.047 -16.010 -2.304 1.00 0.00 C ATOM 2423 O GLU B 74 -15.524 -16.526 -1.312 1.00 0.00 O ATOM 2424 CB GLU B 74 -13.887 -16.000 -3.544 1.00 0.00 C ATOM 2425 CG GLU B 74 -13.008 -15.404 -4.630 1.00 0.00 C ATOM 2426 CD GLU B 74 -13.708 -15.314 -5.968 1.00 0.00 C ATOM 2427 OE1 GLU B 74 -14.273 -16.333 -6.427 1.00 0.00 O ATOM 2428 OE2 GLU B 74 -13.683 -14.230 -6.580 1.00 0.00 O ATOM 0 H GLU B 74 -13.949 -13.622 -2.876 1.00 0.00 H new ATOM 0 HA GLU B 74 -15.760 -15.184 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU B 74 -13.327 -16.020 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU B 74 -14.114 -17.034 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU B 74 -12.687 -14.408 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU B 74 -12.108 -16.010 -4.736 1.00 0.00 H new ATOM 2435 N HIS B 75 -17.353 -16.072 -2.573 1.00 0.00 N ATOM 2436 CA HIS B 75 -18.332 -16.730 -1.700 1.00 0.00 C ATOM 2437 C HIS B 75 -18.491 -15.992 -0.369 1.00 0.00 C ATOM 2438 O HIS B 75 -19.594 -15.586 -0.026 1.00 0.00 O ATOM 2439 CB HIS B 75 -17.966 -18.202 -1.468 1.00 0.00 C ATOM 2440 CG HIS B 75 -18.059 -19.044 -2.708 1.00 0.00 C ATOM 2441 ND1 HIS B 75 -16.989 -19.736 -3.233 1.00 0.00 N ATOM 2442 CD2 HIS B 75 -19.109 -19.303 -3.522 1.00 0.00 C ATOM 2443 CE1 HIS B 75 -17.376 -20.382 -4.319 1.00 0.00 C ATOM 2444 NE2 HIS B 75 -18.659 -20.138 -4.514 1.00 0.00 N ATOM 0 H HIS B 75 -17.766 -15.663 -3.411 1.00 0.00 H new ATOM 0 HA HIS B 75 -19.294 -16.696 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS B 75 -16.951 -18.258 -1.075 1.00 0.00 H new ATOM 0 HB3 HIS B 75 -18.626 -18.617 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS B 75 -20.114 -18.923 -3.411 1.00 0.00 H new ATOM 0 HE1 HIS B 75 -16.749 -21.004 -4.941 1.00 0.00 H new ATOM 0 HE2 HIS B 75 -19.224 -20.510 -5.278 1.00 0.00 H new ATOM 2453 N HIS B 76 -17.373 -15.822 0.345 1.00 0.00 N ATOM 2454 CA HIS B 76 -17.266 -15.106 1.637 1.00 0.00 C ATOM 2455 C HIS B 76 -18.195 -15.636 2.744 1.00 0.00 C ATOM 2456 O HIS B 76 -17.721 -15.976 3.824 1.00 0.00 O ATOM 2457 CB HIS B 76 -17.373 -13.568 1.485 1.00 0.00 C ATOM 2458 CG HIS B 76 -18.667 -13.024 0.952 1.00 0.00 C ATOM 2459 ND1 HIS B 76 -18.877 -12.749 -0.385 1.00 0.00 N ATOM 2460 CD2 HIS B 76 -19.810 -12.675 1.588 1.00 0.00 C ATOM 2461 CE1 HIS B 76 -20.090 -12.256 -0.544 1.00 0.00 C ATOM 2462 NE2 HIS B 76 -20.676 -12.201 0.636 1.00 0.00 N ATOM 0 H HIS B 76 -16.476 -16.192 0.032 1.00 0.00 H new ATOM 0 HA HIS B 76 -16.255 -15.330 1.978 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -17.193 -13.118 2.461 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -16.570 -13.236 0.828 1.00 0.00 H new ATOM 0 HD1 HIS B 76 -18.200 -12.903 -1.132 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -20.004 -12.755 2.647 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -20.529 -11.949 -1.482 1.00 0.00 H new ATOM 2471 N HIS B 77 -19.490 -15.749 2.485 1.00 0.00 N ATOM 2472 CA HIS B 77 -20.437 -16.170 3.517 1.00 0.00 C ATOM 2473 C HIS B 77 -20.457 -17.694 3.654 1.00 0.00 C ATOM 2474 O HIS B 77 -21.436 -18.278 4.111 1.00 0.00 O ATOM 2475 CB HIS B 77 -21.850 -15.626 3.232 1.00 0.00 C ATOM 2476 CG HIS B 77 -22.572 -16.273 2.082 1.00 0.00 C ATOM 2477 ND1 HIS B 77 -23.570 -17.203 2.256 1.00 0.00 N ATOM 2478 CD2 HIS B 77 -22.459 -16.094 0.746 1.00 0.00 C ATOM 2479 CE1 HIS B 77 -24.036 -17.571 1.081 1.00 0.00 C ATOM 2480 NE2 HIS B 77 -23.382 -16.914 0.143 1.00 0.00 N ATOM 0 H HIS B 77 -19.911 -15.557 1.576 1.00 0.00 H new ATOM 0 HA HIS B 77 -20.102 -15.750 4.465 1.00 0.00 H new ATOM 0 HB2 HIS B 77 -22.455 -15.745 4.131 1.00 0.00 H new ATOM 0 HB3 HIS B 77 -21.776 -14.556 3.037 1.00 0.00 H new ATOM 0 HD2 HIS B 77 -21.770 -15.429 0.246 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -24.823 -18.291 0.913 1.00 0.00 H new ATOM 0 HE2 HIS B 77 -23.536 -17.000 -0.862 1.00 0.00 H new ATOM 2489 N HIS B 78 -19.349 -18.325 3.285 1.00 0.00 N ATOM 2490 CA HIS B 78 -19.209 -19.774 3.397 1.00 0.00 C ATOM 2491 C HIS B 78 -18.757 -20.172 4.799 1.00 0.00 C ATOM 2492 O HIS B 78 -18.317 -21.295 5.030 1.00 0.00 O ATOM 2493 CB HIS B 78 -18.245 -20.331 2.336 1.00 0.00 C ATOM 2494 CG HIS B 78 -16.921 -19.622 2.212 1.00 0.00 C ATOM 2495 ND1 HIS B 78 -16.145 -19.709 1.079 1.00 0.00 N ATOM 2496 CD2 HIS B 78 -16.248 -18.802 3.060 1.00 0.00 C ATOM 2497 CE1 HIS B 78 -15.056 -18.981 1.232 1.00 0.00 C ATOM 2498 NE2 HIS B 78 -15.092 -18.416 2.423 1.00 0.00 N ATOM 0 H HIS B 78 -18.529 -17.854 2.903 1.00 0.00 H new ATOM 0 HA HIS B 78 -20.190 -20.212 3.216 1.00 0.00 H new ATOM 0 HB2 HIS B 78 -18.054 -21.380 2.562 1.00 0.00 H new ATOM 0 HB3 HIS B 78 -18.744 -20.300 1.367 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -16.562 -18.508 4.050 1.00 0.00 H new ATOM 0 HE1 HIS B 78 -14.267 -18.867 0.504 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -14.380 -17.795 2.808 1.00 0.00 H new ATOM 2507 N HIS B 79 -18.867 -19.235 5.724 1.00 0.00 N ATOM 2508 CA HIS B 79 -18.615 -19.503 7.128 1.00 0.00 C ATOM 2509 C HIS B 79 -19.950 -19.539 7.862 1.00 0.00 C ATOM 2510 O HIS B 79 -20.387 -18.539 8.431 1.00 0.00 O ATOM 2511 CB HIS B 79 -17.693 -18.432 7.725 1.00 0.00 C ATOM 2512 CG HIS B 79 -17.320 -18.667 9.160 1.00 0.00 C ATOM 2513 ND1 HIS B 79 -17.750 -17.860 10.188 1.00 0.00 N ATOM 2514 CD2 HIS B 79 -16.525 -19.603 9.729 1.00 0.00 C ATOM 2515 CE1 HIS B 79 -17.237 -18.287 11.325 1.00 0.00 C ATOM 2516 NE2 HIS B 79 -16.488 -19.345 11.077 1.00 0.00 N ATOM 0 H HIS B 79 -19.132 -18.271 5.524 1.00 0.00 H new ATOM 0 HA HIS B 79 -18.113 -20.464 7.236 1.00 0.00 H new ATOM 0 HB2 HIS B 79 -16.782 -18.381 7.129 1.00 0.00 H new ATOM 0 HB3 HIS B 79 -18.183 -17.462 7.643 1.00 0.00 H new ATOM 0 HD2 HIS B 79 -16.014 -20.405 9.217 1.00 0.00 H new ATOM 0 HE1 HIS B 79 -17.402 -17.845 12.297 1.00 0.00 H new ATOM 0 HE2 HIS B 79 -15.968 -19.882 11.771 1.00 0.00 H new ATOM 2525 N HIS B 80 -20.611 -20.682 7.804 1.00 0.00 N ATOM 2526 CA HIS B 80 -21.951 -20.813 8.346 1.00 0.00 C ATOM 2527 C HIS B 80 -22.181 -22.236 8.839 1.00 0.00 C ATOM 2528 O HIS B 80 -22.189 -22.445 10.069 1.00 0.00 O ATOM 2529 CB HIS B 80 -22.984 -20.440 7.278 1.00 0.00 C ATOM 2530 CG HIS B 80 -24.398 -20.402 7.775 1.00 0.00 C ATOM 2531 ND1 HIS B 80 -25.344 -21.334 7.418 1.00 0.00 N ATOM 2532 CD2 HIS B 80 -25.028 -19.521 8.584 1.00 0.00 C ATOM 2533 CE1 HIS B 80 -26.495 -21.028 7.986 1.00 0.00 C ATOM 2534 NE2 HIS B 80 -26.335 -19.930 8.700 1.00 0.00 N ATOM 2535 OXT HIS B 80 -22.321 -23.146 7.995 1.00 0.00 O ATOM 0 H HIS B 80 -20.240 -21.535 7.386 1.00 0.00 H new ATOM 0 HA HIS B 80 -22.062 -20.134 9.191 1.00 0.00 H new ATOM 0 HB2 HIS B 80 -22.729 -19.463 6.868 1.00 0.00 H new ATOM 0 HB3 HIS B 80 -22.918 -21.156 6.459 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -24.585 -18.655 9.053 1.00 0.00 H new ATOM 0 HE1 HIS B 80 -27.415 -21.584 7.884 1.00 0.00 H new ATOM 0 HE2 HIS B 80 -27.059 -19.463 9.246 1.00 0.00 H new TER 2544 HIS B 80