USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1227 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 110 SER OG : rot 180:sc= -0.652 USER MOD Set 1.2: A 124 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 102 LYS NZ :NH3+ 162:sc= 0.344 (180deg=-0.228) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.35 USER MOD Set 3.1: A 99 ASN : amide:sc= -0.0831 K(o=0.66,f=-2.1) USER MOD Set 3.2: A 101 TYR OH : rot -80:sc= 0.742 USER MOD Set 4.1: A 74 ASN : amide:sc= -0.433 K(o=0.42,f=-4.1!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ -178:sc= 0.856 (180deg=0) USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -2.73! C(o=-4.3!,f=-2.5!) USER MOD Set 5.2: A 44 SER OG : rot -51:sc= 0.212 USER MOD Set 5.3: A 67 HIS :FLIP no HE2:sc=-0.00398 F(o=-4.3!,f=-2.5) USER MOD Single : A 1 ALA N :NH3+ -152:sc= 1.25 (180deg=0.223) USER MOD Single : A 3 SER OG : rot 62:sc= 0.909 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 24 ASN : amide:sc= 0.747 K(o=0.75,f=-6.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 170:sc= -0.184 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0.693 (180deg=0.457) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 1.12 (180deg=0.453) USER MOD Single : A 64 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.2) USER MOD Single : A 72 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.78) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0579) USER MOD Single : A 84 GLN : amide:sc= -3.77 K(o=-3.8,f=-4.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 71:sc= 0.513 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.286 K(o=-0.29,f=-4.1!) USER MOD Single : A 100 ASN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0 USER MOD Single : A 115 SER OG : rot -131:sc= -0.512 USER MOD Single : A 117 ASN : amide:sc= 0.304 K(o=0.3,f=-4.6!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00412 USER MOD Single : A 123 GLN : amide:sc=-0.00533 K(o=-0.0053,f=-1) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot 77:sc= 0.991 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 6:sc= 0.763 USER MOD Single : A 142 TYR OH : rot 57:sc= 0.811 USER MOD Single : A 143 CYS SG : rot 180:sc= 0 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.988 -11.094 10.213 1.00 2.77 N ATOM 2 CA ALA A 1 -11.796 -11.633 8.859 1.00 2.68 C ATOM 3 C ALA A 1 -12.832 -11.027 7.926 1.00 2.07 C ATOM 4 O ALA A 1 -14.016 -11.297 8.102 1.00 2.26 O ATOM 5 CB ALA A 1 -11.903 -13.163 8.852 1.00 3.51 C ATOM 0 H1 ALA A 1 -11.080 -11.098 10.720 1.00 2.77 H new ATOM 0 H2 ALA A 1 -12.346 -10.119 10.151 1.00 2.77 H new ATOM 0 H3 ALA A 1 -12.674 -11.683 10.727 1.00 2.77 H new ATOM 0 HA ALA A 1 -10.796 -11.370 8.515 1.00 2.68 H new ATOM 0 HB1 ALA A 1 -11.757 -13.533 7.837 1.00 3.51 H new ATOM 0 HB2 ALA A 1 -11.139 -13.584 9.506 1.00 3.51 H new ATOM 0 HB3 ALA A 1 -12.889 -13.460 9.208 1.00 3.51 H new ATOM 11 N PRO A 2 -12.419 -10.147 7.010 1.00 2.39 N ATOM 12 CA PRO A 2 -13.317 -9.382 6.165 1.00 2.62 C ATOM 13 C PRO A 2 -13.452 -9.992 4.764 1.00 2.17 C ATOM 14 O PRO A 2 -12.812 -10.994 4.446 1.00 2.84 O ATOM 15 CB PRO A 2 -12.628 -8.028 6.088 1.00 3.96 C ATOM 16 CG PRO A 2 -11.149 -8.400 6.007 1.00 4.34 C ATOM 17 CD PRO A 2 -11.061 -9.637 6.902 1.00 3.53 C ATOM 0 HA PRO A 2 -14.333 -9.346 6.559 1.00 2.62 H new ATOM 0 HB2 PRO A 2 -12.950 -7.460 5.215 1.00 3.96 H new ATOM 0 HB3 PRO A 2 -12.843 -7.415 6.964 1.00 3.96 H new ATOM 0 HG2 PRO A 2 -10.842 -8.618 4.984 1.00 4.34 H new ATOM 0 HG3 PRO A 2 -10.509 -7.594 6.367 1.00 4.34 H new ATOM 0 HD2 PRO A 2 -10.396 -10.385 6.471 1.00 3.53 H new ATOM 0 HD3 PRO A 2 -10.660 -9.382 7.883 1.00 3.53 H new ATOM 25 N SER A 3 -14.271 -9.363 3.918 1.00 1.35 N ATOM 26 CA SER A 3 -14.381 -9.673 2.498 1.00 1.17 C ATOM 27 C SER A 3 -13.267 -8.979 1.711 1.00 1.02 C ATOM 28 O SER A 3 -12.505 -8.194 2.277 1.00 1.09 O ATOM 29 CB SER A 3 -15.758 -9.204 2.016 1.00 1.50 C ATOM 30 OG SER A 3 -16.096 -7.951 2.585 1.00 2.53 O ATOM 0 H SER A 3 -14.889 -8.607 4.212 1.00 1.35 H new ATOM 0 HA SER A 3 -14.276 -10.746 2.338 1.00 1.17 H new ATOM 0 HB2 SER A 3 -15.759 -9.126 0.929 1.00 1.50 H new ATOM 0 HB3 SER A 3 -16.512 -9.944 2.283 1.00 1.50 H new ATOM 0 HG SER A 3 -15.447 -7.275 2.297 1.00 2.53 H new ATOM 36 N TYR A 4 -13.168 -9.253 0.402 1.00 0.93 N ATOM 37 CA TYR A 4 -12.163 -8.668 -0.464 1.00 0.86 C ATOM 38 C TYR A 4 -12.876 -8.134 -1.703 1.00 0.81 C ATOM 39 O TYR A 4 -13.710 -8.838 -2.274 1.00 0.95 O ATOM 40 CB TYR A 4 -11.125 -9.737 -0.848 1.00 1.00 C ATOM 41 CG TYR A 4 -10.966 -10.895 0.126 1.00 1.18 C ATOM 42 CD1 TYR A 4 -10.602 -10.660 1.463 1.00 2.38 C ATOM 43 CD2 TYR A 4 -11.248 -12.209 -0.291 1.00 2.37 C ATOM 44 CE1 TYR A 4 -10.537 -11.722 2.382 1.00 2.59 C ATOM 45 CE2 TYR A 4 -11.147 -13.284 0.608 1.00 2.61 C ATOM 46 CZ TYR A 4 -10.798 -13.044 1.954 1.00 1.88 C ATOM 47 OH TYR A 4 -10.711 -14.086 2.826 1.00 2.29 O ATOM 0 H TYR A 4 -13.796 -9.896 -0.080 1.00 0.93 H new ATOM 0 HA TYR A 4 -11.636 -7.857 0.039 1.00 0.86 H new ATOM 0 HB2 TYR A 4 -11.395 -10.143 -1.823 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -10.157 -9.250 -0.963 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -10.370 -9.656 1.787 1.00 2.38 H new ATOM 0 HD2 TYR A 4 -11.545 -12.393 -1.313 1.00 2.37 H new ATOM 0 HE1 TYR A 4 -10.288 -11.528 3.415 1.00 2.59 H new ATOM 0 HE2 TYR A 4 -11.336 -14.292 0.270 1.00 2.61 H new ATOM 0 HH TYR A 4 -10.924 -14.921 2.360 1.00 2.29 H new ATOM 57 N HIS A 5 -12.548 -6.916 -2.134 1.00 0.74 N ATOM 58 CA HIS A 5 -13.179 -6.268 -3.273 1.00 0.73 C ATOM 59 C HIS A 5 -12.054 -5.645 -4.092 1.00 0.70 C ATOM 60 O HIS A 5 -11.155 -5.047 -3.513 1.00 0.95 O ATOM 61 CB HIS A 5 -14.157 -5.207 -2.741 1.00 0.80 C ATOM 62 CG HIS A 5 -15.266 -4.785 -3.677 1.00 0.87 C ATOM 63 ND1 HIS A 5 -16.526 -4.407 -3.270 1.00 1.22 N ATOM 64 CD2 HIS A 5 -15.232 -4.690 -5.045 1.00 0.82 C ATOM 65 CE1 HIS A 5 -17.237 -4.104 -4.371 1.00 1.27 C ATOM 66 NE2 HIS A 5 -16.494 -4.271 -5.476 1.00 0.97 N ATOM 0 H HIS A 5 -11.826 -6.347 -1.692 1.00 0.74 H new ATOM 0 HA HIS A 5 -13.745 -6.958 -3.898 1.00 0.73 H new ATOM 0 HB2 HIS A 5 -14.609 -5.588 -1.825 1.00 0.80 H new ATOM 0 HB3 HIS A 5 -13.584 -4.321 -2.469 1.00 0.80 H new ATOM 0 HD2 HIS A 5 -14.382 -4.901 -5.677 1.00 0.82 H new ATOM 0 HE1 HIS A 5 -18.265 -3.772 -4.366 1.00 1.27 H new ATOM 0 HE2 HIS A 5 -16.791 -4.122 -6.440 1.00 0.97 H new ATOM 74 N VAL A 6 -12.061 -5.780 -5.420 1.00 0.52 N ATOM 75 CA VAL A 6 -11.059 -5.130 -6.262 1.00 0.50 C ATOM 76 C VAL A 6 -11.718 -4.033 -7.080 1.00 0.54 C ATOM 77 O VAL A 6 -12.878 -4.162 -7.467 1.00 0.64 O ATOM 78 CB VAL A 6 -10.352 -6.160 -7.149 1.00 0.60 C ATOM 79 CG1 VAL A 6 -9.160 -5.521 -7.874 1.00 1.72 C ATOM 80 CG2 VAL A 6 -9.878 -7.313 -6.263 1.00 1.58 C ATOM 0 H VAL A 6 -12.748 -6.332 -5.933 1.00 0.52 H new ATOM 0 HA VAL A 6 -10.295 -4.672 -5.634 1.00 0.50 H new ATOM 0 HB VAL A 6 -11.043 -6.530 -7.907 1.00 0.60 H new ATOM 0 HG11 VAL A 6 -8.671 -6.268 -8.499 1.00 1.72 H new ATOM 0 HG12 VAL A 6 -9.512 -4.700 -8.499 1.00 1.72 H new ATOM 0 HG13 VAL A 6 -8.449 -5.140 -7.140 1.00 1.72 H new ATOM 0 HG21 VAL A 6 -9.371 -8.058 -6.876 1.00 1.58 H new ATOM 0 HG22 VAL A 6 -9.188 -6.933 -5.510 1.00 1.58 H new ATOM 0 HG23 VAL A 6 -10.736 -7.771 -5.771 1.00 1.58 H new ATOM 90 N VAL A 7 -10.982 -2.950 -7.332 1.00 0.54 N ATOM 91 CA VAL A 7 -11.509 -1.770 -7.982 1.00 0.65 C ATOM 92 C VAL A 7 -10.480 -1.327 -9.016 1.00 0.58 C ATOM 93 O VAL A 7 -9.282 -1.237 -8.744 1.00 0.65 O ATOM 94 CB VAL A 7 -11.810 -0.685 -6.935 1.00 0.89 C ATOM 95 CG1 VAL A 7 -12.496 0.513 -7.600 1.00 1.39 C ATOM 96 CG2 VAL A 7 -12.733 -1.214 -5.828 1.00 1.84 C ATOM 0 H VAL A 7 -9.995 -2.876 -7.085 1.00 0.54 H new ATOM 0 HA VAL A 7 -12.453 -1.972 -8.488 1.00 0.65 H new ATOM 0 HB VAL A 7 -10.858 -0.386 -6.496 1.00 0.89 H new ATOM 0 HG11 VAL A 7 -12.705 1.275 -6.850 1.00 1.39 H new ATOM 0 HG12 VAL A 7 -11.841 0.928 -8.366 1.00 1.39 H new ATOM 0 HG13 VAL A 7 -13.431 0.189 -8.058 1.00 1.39 H new ATOM 0 HG21 VAL A 7 -12.925 -0.421 -5.105 1.00 1.84 H new ATOM 0 HG22 VAL A 7 -13.676 -1.542 -6.266 1.00 1.84 H new ATOM 0 HG23 VAL A 7 -12.254 -2.055 -5.326 1.00 1.84 H new ATOM 106 N ARG A 8 -10.943 -1.091 -10.241 1.00 0.61 N ATOM 107 CA ARG A 8 -10.075 -0.720 -11.344 1.00 0.60 C ATOM 108 C ARG A 8 -10.031 0.804 -11.414 1.00 0.58 C ATOM 109 O ARG A 8 -10.904 1.426 -12.012 1.00 0.76 O ATOM 110 CB ARG A 8 -10.569 -1.415 -12.623 1.00 0.83 C ATOM 111 CG ARG A 8 -11.931 -0.918 -13.144 1.00 2.04 C ATOM 112 CD ARG A 8 -12.763 -2.041 -13.777 1.00 2.53 C ATOM 113 NE ARG A 8 -13.793 -2.539 -12.850 1.00 3.78 N ATOM 114 CZ ARG A 8 -14.409 -3.726 -12.938 1.00 4.79 C ATOM 115 NH1 ARG A 8 -15.251 -4.122 -11.985 1.00 6.17 N ATOM 116 NH2 ARG A 8 -14.190 -4.511 -13.986 1.00 5.08 N ATOM 0 H ARG A 8 -11.930 -1.153 -10.492 1.00 0.61 H new ATOM 0 HA ARG A 8 -9.047 -1.056 -11.208 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -9.824 -1.276 -13.406 1.00 0.83 H new ATOM 0 HB3 ARG A 8 -10.637 -2.486 -12.434 1.00 0.83 H new ATOM 0 HG2 ARG A 8 -12.491 -0.475 -12.321 1.00 2.04 H new ATOM 0 HG3 ARG A 8 -11.769 -0.131 -13.880 1.00 2.04 H new ATOM 0 HD2 ARG A 8 -13.238 -1.674 -14.687 1.00 2.53 H new ATOM 0 HD3 ARG A 8 -12.107 -2.861 -14.068 1.00 2.53 H new ATOM 0 HE ARG A 8 -14.060 -1.930 -12.077 1.00 3.78 H new ATOM 0 HH11 ARG A 8 -15.431 -3.520 -11.181 1.00 6.17 H new ATOM 0 HH12 ARG A 8 -15.716 -5.027 -12.059 1.00 6.17 H new ATOM 0 HH21 ARG A 8 -13.553 -4.211 -14.724 1.00 5.08 H new ATOM 0 HH22 ARG A 8 -14.659 -5.414 -14.053 1.00 5.08 H new ATOM 130 N GLY A 9 -9.042 1.420 -10.770 1.00 0.54 N ATOM 131 CA GLY A 9 -8.911 2.861 -10.726 1.00 0.59 C ATOM 132 C GLY A 9 -7.445 3.195 -10.519 1.00 0.52 C ATOM 133 O GLY A 9 -6.573 2.420 -10.909 1.00 0.64 O ATOM 0 H GLY A 9 -8.309 0.924 -10.264 1.00 0.54 H new ATOM 0 HA2 GLY A 9 -9.275 3.305 -11.653 1.00 0.59 H new ATOM 0 HA3 GLY A 9 -9.513 3.273 -9.917 1.00 0.59 H new ATOM 137 N ASP A 10 -7.170 4.329 -9.885 1.00 0.58 N ATOM 138 CA ASP A 10 -5.818 4.810 -9.662 1.00 0.59 C ATOM 139 C ASP A 10 -5.699 5.325 -8.234 1.00 0.55 C ATOM 140 O ASP A 10 -6.698 5.582 -7.571 1.00 0.56 O ATOM 141 CB ASP A 10 -5.464 5.919 -10.659 1.00 0.73 C ATOM 142 CG ASP A 10 -4.009 6.316 -10.442 1.00 1.89 C ATOM 143 OD1 ASP A 10 -3.791 7.481 -10.038 1.00 3.20 O ATOM 144 OD2 ASP A 10 -3.159 5.395 -10.503 1.00 2.65 O ATOM 0 H ASP A 10 -7.890 4.945 -9.508 1.00 0.58 H new ATOM 0 HA ASP A 10 -5.118 3.988 -9.813 1.00 0.59 H new ATOM 0 HB2 ASP A 10 -5.614 5.572 -11.681 1.00 0.73 H new ATOM 0 HB3 ASP A 10 -6.117 6.780 -10.516 1.00 0.73 H new ATOM 149 N ILE A 11 -4.475 5.502 -7.748 1.00 0.57 N ATOM 150 CA ILE A 11 -4.202 5.971 -6.400 1.00 0.61 C ATOM 151 C ILE A 11 -4.774 7.372 -6.186 1.00 0.65 C ATOM 152 O ILE A 11 -5.280 7.689 -5.105 1.00 0.76 O ATOM 153 CB ILE A 11 -2.675 5.902 -6.200 1.00 0.69 C ATOM 154 CG1 ILE A 11 -2.180 4.452 -6.398 1.00 1.73 C ATOM 155 CG2 ILE A 11 -2.179 6.402 -4.836 1.00 1.65 C ATOM 156 CD1 ILE A 11 -1.036 4.400 -7.408 1.00 3.26 C ATOM 0 H ILE A 11 -3.632 5.319 -8.292 1.00 0.57 H new ATOM 0 HA ILE A 11 -4.689 5.346 -5.652 1.00 0.61 H new ATOM 0 HB ILE A 11 -2.263 6.577 -6.950 1.00 0.69 H new ATOM 0 HG12 ILE A 11 -1.847 4.044 -5.444 1.00 1.73 H new ATOM 0 HG13 ILE A 11 -3.003 3.826 -6.742 1.00 1.73 H new ATOM 0 HG21 ILE A 11 -1.094 6.315 -4.789 1.00 1.65 H new ATOM 0 HG22 ILE A 11 -2.465 7.446 -4.705 1.00 1.65 H new ATOM 0 HG23 ILE A 11 -2.626 5.801 -4.044 1.00 1.65 H new ATOM 0 HD11 ILE A 11 -0.705 3.369 -7.530 1.00 3.26 H new ATOM 0 HD12 ILE A 11 -1.380 4.787 -8.367 1.00 3.26 H new ATOM 0 HD13 ILE A 11 -0.205 5.007 -7.049 1.00 3.26 H new ATOM 168 N ALA A 12 -4.727 8.219 -7.215 1.00 0.63 N ATOM 169 CA ALA A 12 -5.263 9.562 -7.078 1.00 0.70 C ATOM 170 C ALA A 12 -6.784 9.595 -7.269 1.00 0.67 C ATOM 171 O ALA A 12 -7.380 10.659 -7.119 1.00 0.75 O ATOM 172 CB ALA A 12 -4.563 10.531 -8.029 1.00 0.90 C ATOM 0 H ALA A 12 -4.332 8.001 -8.130 1.00 0.63 H new ATOM 0 HA ALA A 12 -5.063 9.888 -6.057 1.00 0.70 H new ATOM 0 HB1 ALA A 12 -4.983 11.529 -7.906 1.00 0.90 H new ATOM 0 HB2 ALA A 12 -3.497 10.556 -7.803 1.00 0.90 H new ATOM 0 HB3 ALA A 12 -4.708 10.200 -9.057 1.00 0.90 H new ATOM 178 N THR A 13 -7.425 8.461 -7.565 1.00 0.61 N ATOM 179 CA THR A 13 -8.879 8.396 -7.735 1.00 0.65 C ATOM 180 C THR A 13 -9.518 7.389 -6.776 1.00 0.56 C ATOM 181 O THR A 13 -10.738 7.291 -6.695 1.00 0.66 O ATOM 182 CB THR A 13 -9.230 8.099 -9.198 1.00 0.80 C ATOM 183 OG1 THR A 13 -8.637 6.893 -9.630 1.00 0.74 O ATOM 184 CG2 THR A 13 -8.735 9.223 -10.111 1.00 0.97 C ATOM 0 H THR A 13 -6.953 7.566 -7.693 1.00 0.61 H new ATOM 0 HA THR A 13 -9.296 9.370 -7.480 1.00 0.65 H new ATOM 0 HB THR A 13 -10.315 8.017 -9.255 1.00 0.80 H new ATOM 0 HG1 THR A 13 -8.878 6.727 -10.565 1.00 0.74 H new ATOM 0 HG21 THR A 13 -8.994 8.993 -11.144 1.00 0.97 H new ATOM 0 HG22 THR A 13 -9.205 10.162 -9.820 1.00 0.97 H new ATOM 0 HG23 THR A 13 -7.653 9.316 -10.020 1.00 0.97 H new ATOM 192 N ALA A 14 -8.698 6.697 -5.989 1.00 0.53 N ATOM 193 CA ALA A 14 -9.061 5.817 -4.911 1.00 0.48 C ATOM 194 C ALA A 14 -9.358 6.729 -3.738 1.00 0.61 C ATOM 195 O ALA A 14 -8.512 7.047 -2.902 1.00 1.00 O ATOM 196 CB ALA A 14 -7.885 4.885 -4.629 1.00 0.53 C ATOM 0 H ALA A 14 -7.686 6.750 -6.108 1.00 0.53 H new ATOM 0 HA ALA A 14 -9.924 5.187 -5.129 1.00 0.48 H new ATOM 0 HB1 ALA A 14 -8.143 4.210 -3.813 1.00 0.53 H new ATOM 0 HB2 ALA A 14 -7.659 4.304 -5.523 1.00 0.53 H new ATOM 0 HB3 ALA A 14 -7.012 5.475 -4.349 1.00 0.53 H new ATOM 202 N THR A 15 -10.556 7.269 -3.743 1.00 0.50 N ATOM 203 CA THR A 15 -11.065 8.082 -2.664 1.00 0.52 C ATOM 204 C THR A 15 -11.694 7.205 -1.579 1.00 0.60 C ATOM 205 O THR A 15 -12.844 7.414 -1.202 1.00 0.68 O ATOM 206 CB THR A 15 -12.042 9.097 -3.256 1.00 0.56 C ATOM 207 OG1 THR A 15 -13.030 8.435 -4.009 1.00 1.07 O ATOM 208 CG2 THR A 15 -11.306 10.089 -4.161 1.00 0.80 C ATOM 0 H THR A 15 -11.216 7.152 -4.512 1.00 0.50 H new ATOM 0 HA THR A 15 -10.259 8.627 -2.172 1.00 0.52 H new ATOM 0 HB THR A 15 -12.508 9.639 -2.433 1.00 0.56 H new ATOM 0 HG1 THR A 15 -13.652 9.093 -4.383 1.00 1.07 H new ATOM 0 HG21 THR A 15 -12.019 10.804 -4.573 1.00 0.80 H new ATOM 0 HG22 THR A 15 -10.553 10.621 -3.580 1.00 0.80 H new ATOM 0 HG23 THR A 15 -10.822 9.549 -4.975 1.00 0.80 H new ATOM 216 N GLU A 16 -10.934 6.253 -1.034 1.00 0.77 N ATOM 217 CA GLU A 16 -11.463 5.256 -0.102 1.00 0.85 C ATOM 218 C GLU A 16 -11.363 5.711 1.351 1.00 0.82 C ATOM 219 O GLU A 16 -11.480 4.911 2.277 1.00 0.70 O ATOM 220 CB GLU A 16 -10.741 3.915 -0.319 1.00 0.93 C ATOM 221 CG GLU A 16 -11.697 2.863 -0.891 1.00 0.89 C ATOM 222 CD GLU A 16 -12.022 3.115 -2.366 1.00 1.78 C ATOM 223 OE1 GLU A 16 -11.549 4.126 -2.931 1.00 2.93 O ATOM 224 OE2 GLU A 16 -12.704 2.265 -2.976 1.00 2.61 O ATOM 0 H GLU A 16 -9.937 6.152 -1.226 1.00 0.77 H new ATOM 0 HA GLU A 16 -12.526 5.128 -0.309 1.00 0.85 H new ATOM 0 HB2 GLU A 16 -9.901 4.056 -0.999 1.00 0.93 H new ATOM 0 HB3 GLU A 16 -10.330 3.562 0.627 1.00 0.93 H new ATOM 0 HG2 GLU A 16 -11.252 1.874 -0.783 1.00 0.89 H new ATOM 0 HG3 GLU A 16 -12.621 2.862 -0.313 1.00 0.89 H new ATOM 231 N GLY A 17 -11.099 6.995 1.584 1.00 1.00 N ATOM 232 CA GLY A 17 -10.807 7.484 2.918 1.00 1.04 C ATOM 233 C GLY A 17 -9.325 7.310 3.227 1.00 1.06 C ATOM 234 O GLY A 17 -8.712 8.231 3.757 1.00 1.21 O ATOM 0 H GLY A 17 -11.083 7.713 0.860 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -11.082 8.536 2.996 1.00 1.04 H new ATOM 0 HA3 GLY A 17 -11.405 6.943 3.651 1.00 1.04 H new ATOM 238 N VAL A 18 -8.742 6.156 2.893 1.00 0.98 N ATOM 239 CA VAL A 18 -7.334 5.887 3.128 1.00 1.01 C ATOM 240 C VAL A 18 -6.753 5.088 1.974 1.00 1.02 C ATOM 241 O VAL A 18 -7.446 4.275 1.363 1.00 1.02 O ATOM 242 CB VAL A 18 -7.163 5.181 4.485 1.00 1.08 C ATOM 243 CG1 VAL A 18 -6.085 4.088 4.512 1.00 1.23 C ATOM 244 CG2 VAL A 18 -6.824 6.254 5.516 1.00 2.04 C ATOM 0 H VAL A 18 -9.241 5.384 2.451 1.00 0.98 H new ATOM 0 HA VAL A 18 -6.777 6.823 3.175 1.00 1.01 H new ATOM 0 HB VAL A 18 -8.098 4.664 4.702 1.00 1.08 H new ATOM 0 HG11 VAL A 18 -6.038 3.648 5.508 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -6.333 3.314 3.785 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -5.118 4.524 4.262 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -6.695 5.791 6.494 1.00 2.04 H new ATOM 0 HG22 VAL A 18 -5.901 6.757 5.228 1.00 2.04 H new ATOM 0 HG23 VAL A 18 -7.634 6.982 5.563 1.00 2.04 H new ATOM 254 N ILE A 19 -5.470 5.359 1.715 1.00 1.08 N ATOM 255 CA ILE A 19 -4.624 4.830 0.662 1.00 1.16 C ATOM 256 C ILE A 19 -3.242 4.622 1.249 1.00 1.08 C ATOM 257 O ILE A 19 -2.902 5.288 2.220 1.00 1.05 O ATOM 258 CB ILE A 19 -4.563 5.854 -0.485 1.00 1.22 C ATOM 259 CG1 ILE A 19 -5.954 6.264 -0.968 1.00 1.25 C ATOM 260 CG2 ILE A 19 -3.734 5.355 -1.674 1.00 1.35 C ATOM 261 CD1 ILE A 19 -6.637 5.052 -1.573 1.00 3.44 C ATOM 0 H ILE A 19 -4.957 6.019 2.299 1.00 1.08 H new ATOM 0 HA ILE A 19 -5.012 3.888 0.274 1.00 1.16 H new ATOM 0 HB ILE A 19 -4.068 6.730 -0.066 1.00 1.22 H new ATOM 0 HG12 ILE A 19 -6.542 6.654 -0.137 1.00 1.25 H new ATOM 0 HG13 ILE A 19 -5.877 7.062 -1.706 1.00 1.25 H new ATOM 0 HG21 ILE A 19 -3.724 6.115 -2.455 1.00 1.35 H new ATOM 0 HG22 ILE A 19 -2.713 5.156 -1.348 1.00 1.35 H new ATOM 0 HG23 ILE A 19 -4.175 4.438 -2.066 1.00 1.35 H new ATOM 0 HD11 ILE A 19 -7.631 5.331 -1.922 1.00 3.44 H new ATOM 0 HD12 ILE A 19 -6.048 4.684 -2.413 1.00 3.44 H new ATOM 0 HD13 ILE A 19 -6.723 4.269 -0.820 1.00 3.44 H new ATOM 273 N ILE A 20 -2.443 3.730 0.670 1.00 1.09 N ATOM 274 CA ILE A 20 -1.086 3.465 1.108 1.00 1.07 C ATOM 275 C ILE A 20 -0.207 3.657 -0.120 1.00 1.03 C ATOM 276 O ILE A 20 -0.553 3.166 -1.191 1.00 1.10 O ATOM 277 CB ILE A 20 -0.964 2.032 1.660 1.00 1.21 C ATOM 278 CG1 ILE A 20 -1.823 1.725 2.895 1.00 1.37 C ATOM 279 CG2 ILE A 20 0.472 1.769 2.115 1.00 1.28 C ATOM 280 CD1 ILE A 20 -3.318 1.648 2.622 1.00 1.18 C ATOM 0 H ILE A 20 -2.730 3.165 -0.129 1.00 1.09 H new ATOM 0 HA ILE A 20 -0.786 4.133 1.915 1.00 1.07 H new ATOM 0 HB ILE A 20 -1.299 1.409 0.831 1.00 1.21 H new ATOM 0 HG12 ILE A 20 -1.496 0.777 3.323 1.00 1.37 H new ATOM 0 HG13 ILE A 20 -1.643 2.493 3.647 1.00 1.37 H new ATOM 0 HG21 ILE A 20 0.550 0.754 2.504 1.00 1.28 H new ATOM 0 HG22 ILE A 20 1.149 1.887 1.269 1.00 1.28 H new ATOM 0 HG23 ILE A 20 0.742 2.479 2.897 1.00 1.28 H new ATOM 0 HD11 ILE A 20 -3.846 1.427 3.550 1.00 1.18 H new ATOM 0 HD12 ILE A 20 -3.665 2.602 2.225 1.00 1.18 H new ATOM 0 HD13 ILE A 20 -3.515 0.859 1.896 1.00 1.18 H new ATOM 292 N ASN A 21 0.927 4.344 0.018 1.00 0.95 N ATOM 293 CA ASN A 21 1.950 4.395 -1.020 1.00 0.98 C ATOM 294 C ASN A 21 3.304 4.155 -0.366 1.00 0.98 C ATOM 295 O ASN A 21 3.572 4.714 0.694 1.00 1.10 O ATOM 296 CB ASN A 21 1.908 5.727 -1.778 1.00 0.94 C ATOM 297 CG ASN A 21 2.379 6.918 -0.958 1.00 2.69 C ATOM 298 OD1 ASN A 21 1.577 7.380 -0.012 1.00 4.07 O flip ATOM 299 ND2 ASN A 21 3.461 7.437 -1.195 1.00 3.98 N flip ATOM 0 H ASN A 21 1.160 4.880 0.854 1.00 0.95 H new ATOM 0 HA ASN A 21 1.766 3.619 -1.763 1.00 0.98 H new ATOM 0 HB2 ASN A 21 2.528 5.645 -2.671 1.00 0.94 H new ATOM 0 HB3 ASN A 21 0.887 5.911 -2.114 1.00 0.94 H new ATOM 0 HD21 ASN A 21 4.058 7.059 -1.930 1.00 3.98 H new ATOM 0 HD22 ASN A 21 3.766 8.248 -0.657 1.00 3.98 H new ATOM 306 N ALA A 22 4.139 3.287 -0.940 1.00 1.05 N ATOM 307 CA ALA A 22 5.383 2.899 -0.294 1.00 1.10 C ATOM 308 C ALA A 22 6.480 3.900 -0.624 1.00 1.40 C ATOM 309 O ALA A 22 7.238 3.714 -1.576 1.00 2.83 O ATOM 310 CB ALA A 22 5.778 1.494 -0.717 1.00 1.63 C ATOM 0 H ALA A 22 3.974 2.845 -1.844 1.00 1.05 H new ATOM 0 HA ALA A 22 5.238 2.899 0.786 1.00 1.10 H new ATOM 0 HB1 ALA A 22 6.711 1.215 -0.227 1.00 1.63 H new ATOM 0 HB2 ALA A 22 4.994 0.794 -0.430 1.00 1.63 H new ATOM 0 HB3 ALA A 22 5.913 1.464 -1.798 1.00 1.63 H new ATOM 316 N ALA A 23 6.511 4.973 0.160 1.00 0.58 N ATOM 317 CA ALA A 23 7.402 6.110 0.021 1.00 0.86 C ATOM 318 C ALA A 23 8.785 5.819 0.597 1.00 0.69 C ATOM 319 O ALA A 23 9.782 6.379 0.153 1.00 0.80 O ATOM 320 CB ALA A 23 6.752 7.274 0.751 1.00 1.44 C ATOM 0 H ALA A 23 5.877 5.074 0.953 1.00 0.58 H new ATOM 0 HA ALA A 23 7.552 6.340 -1.034 1.00 0.86 H new ATOM 0 HB1 ALA A 23 7.390 8.154 0.673 1.00 1.44 H new ATOM 0 HB2 ALA A 23 5.781 7.488 0.303 1.00 1.44 H new ATOM 0 HB3 ALA A 23 6.618 7.016 1.801 1.00 1.44 H new ATOM 326 N ASN A 24 8.869 4.932 1.584 1.00 0.69 N ATOM 327 CA ASN A 24 10.136 4.457 2.120 1.00 0.74 C ATOM 328 C ASN A 24 10.834 5.543 2.930 1.00 0.81 C ATOM 329 O ASN A 24 10.360 6.669 3.047 1.00 0.93 O ATOM 330 CB ASN A 24 11.035 3.852 1.019 1.00 0.82 C ATOM 331 CG ASN A 24 10.309 2.782 0.217 1.00 1.21 C ATOM 332 OD1 ASN A 24 9.203 2.386 0.565 1.00 1.52 O ATOM 333 ND2 ASN A 24 10.938 2.254 -0.822 1.00 2.19 N ATOM 0 H ASN A 24 8.052 4.521 2.036 1.00 0.69 H new ATOM 0 HA ASN A 24 9.923 3.642 2.812 1.00 0.74 H new ATOM 0 HB2 ASN A 24 11.370 4.643 0.348 1.00 0.82 H new ATOM 0 HB3 ASN A 24 11.927 3.422 1.475 1.00 0.82 H new ATOM 0 HD21 ASN A 24 10.502 1.500 -1.353 1.00 2.19 H new ATOM 0 HD22 ASN A 24 11.858 2.602 -1.092 1.00 2.19 H new ATOM 340 N SER A 25 12.009 5.222 3.467 1.00 0.88 N ATOM 341 CA SER A 25 12.846 6.208 4.128 1.00 0.98 C ATOM 342 C SER A 25 13.284 7.317 3.171 1.00 1.05 C ATOM 343 O SER A 25 13.682 8.393 3.606 1.00 1.21 O ATOM 344 CB SER A 25 14.056 5.501 4.732 1.00 1.15 C ATOM 345 OG SER A 25 14.610 4.622 3.767 1.00 1.40 O ATOM 0 H SER A 25 12.400 4.280 3.454 1.00 0.88 H new ATOM 0 HA SER A 25 12.267 6.688 4.917 1.00 0.98 H new ATOM 0 HB2 SER A 25 14.801 6.232 5.046 1.00 1.15 H new ATOM 0 HB3 SER A 25 13.761 4.945 5.622 1.00 1.15 H new ATOM 0 HG SER A 25 15.389 4.166 4.149 1.00 1.40 H new ATOM 351 N LYS A 26 13.225 7.051 1.863 1.00 1.18 N ATOM 352 CA LYS A 26 13.605 7.989 0.820 1.00 1.50 C ATOM 353 C LYS A 26 12.506 9.015 0.578 1.00 1.59 C ATOM 354 O LYS A 26 12.764 10.027 -0.065 1.00 1.88 O ATOM 355 CB LYS A 26 13.907 7.222 -0.477 1.00 1.64 C ATOM 356 CG LYS A 26 14.969 6.143 -0.223 1.00 1.81 C ATOM 357 CD LYS A 26 15.385 5.438 -1.515 1.00 2.15 C ATOM 358 CE LYS A 26 16.270 4.244 -1.145 1.00 2.53 C ATOM 359 NZ LYS A 26 16.734 3.506 -2.339 1.00 3.15 N ATOM 0 H LYS A 26 12.903 6.154 1.499 1.00 1.18 H new ATOM 0 HA LYS A 26 14.498 8.523 1.144 1.00 1.50 H new ATOM 0 HB2 LYS A 26 12.995 6.762 -0.856 1.00 1.64 H new ATOM 0 HB3 LYS A 26 14.257 7.914 -1.243 1.00 1.64 H new ATOM 0 HG2 LYS A 26 15.845 6.597 0.241 1.00 1.81 H new ATOM 0 HG3 LYS A 26 14.579 5.409 0.482 1.00 1.81 H new ATOM 0 HD2 LYS A 26 14.506 5.103 -2.065 1.00 2.15 H new ATOM 0 HD3 LYS A 26 15.926 6.125 -2.166 1.00 2.15 H new ATOM 0 HE2 LYS A 26 17.132 4.594 -0.578 1.00 2.53 H new ATOM 0 HE3 LYS A 26 15.714 3.568 -0.495 1.00 2.53 H new ATOM 0 HZ1 LYS A 26 17.330 2.706 -2.043 1.00 3.15 H new ATOM 0 HZ2 LYS A 26 15.912 3.149 -2.867 1.00 3.15 H new ATOM 0 HZ3 LYS A 26 17.287 4.143 -2.948 1.00 3.15 H new ATOM 373 N GLY A 27 11.278 8.736 1.018 1.00 1.45 N ATOM 374 CA GLY A 27 10.140 9.579 0.718 1.00 1.68 C ATOM 375 C GLY A 27 9.767 9.504 -0.759 1.00 1.90 C ATOM 376 O GLY A 27 9.068 10.373 -1.255 1.00 2.31 O ATOM 0 H GLY A 27 11.054 7.921 1.589 1.00 1.45 H new ATOM 0 HA2 GLY A 27 9.288 9.274 1.326 1.00 1.68 H new ATOM 0 HA3 GLY A 27 10.369 10.611 0.985 1.00 1.68 H new ATOM 380 N GLN A 28 10.191 8.478 -1.497 1.00 1.74 N ATOM 381 CA GLN A 28 9.922 8.413 -2.920 1.00 1.96 C ATOM 382 C GLN A 28 9.145 7.137 -3.232 1.00 1.61 C ATOM 383 O GLN A 28 9.681 6.043 -3.064 1.00 1.46 O ATOM 384 CB GLN A 28 11.242 8.519 -3.681 1.00 2.25 C ATOM 385 CG GLN A 28 10.940 9.022 -5.090 1.00 2.22 C ATOM 386 CD GLN A 28 12.228 9.238 -5.877 1.00 2.58 C ATOM 387 OE1 GLN A 28 13.003 8.314 -6.087 1.00 3.54 O ATOM 388 NE2 GLN A 28 12.489 10.461 -6.322 1.00 2.84 N ATOM 0 H GLN A 28 10.719 7.687 -1.128 1.00 1.74 H new ATOM 0 HA GLN A 28 9.298 9.246 -3.242 1.00 1.96 H new ATOM 0 HB2 GLN A 28 11.921 9.202 -3.171 1.00 2.25 H new ATOM 0 HB3 GLN A 28 11.737 7.549 -3.722 1.00 2.25 H new ATOM 0 HG2 GLN A 28 10.308 8.302 -5.610 1.00 2.22 H new ATOM 0 HG3 GLN A 28 10.381 9.956 -5.035 1.00 2.22 H new ATOM 0 HE21 GLN A 28 11.834 11.221 -6.139 1.00 2.84 H new ATOM 0 HE22 GLN A 28 13.345 10.641 -6.847 1.00 2.84 H new ATOM 397 N PRO A 29 7.878 7.250 -3.655 1.00 1.50 N ATOM 398 CA PRO A 29 7.021 6.095 -3.815 1.00 1.12 C ATOM 399 C PRO A 29 7.444 5.266 -5.021 1.00 1.08 C ATOM 400 O PRO A 29 7.531 5.785 -6.135 1.00 1.38 O ATOM 401 CB PRO A 29 5.606 6.644 -3.948 1.00 1.19 C ATOM 402 CG PRO A 29 5.826 8.028 -4.551 1.00 1.61 C ATOM 403 CD PRO A 29 7.136 8.475 -3.903 1.00 1.79 C ATOM 0 HA PRO A 29 7.086 5.416 -2.965 1.00 1.12 H new ATOM 0 HB2 PRO A 29 4.990 6.017 -4.592 1.00 1.19 H new ATOM 0 HB3 PRO A 29 5.103 6.700 -2.983 1.00 1.19 H new ATOM 0 HG2 PRO A 29 5.905 7.988 -5.637 1.00 1.61 H new ATOM 0 HG3 PRO A 29 5.006 8.707 -4.316 1.00 1.61 H new ATOM 0 HD2 PRO A 29 7.691 9.145 -4.559 1.00 1.79 H new ATOM 0 HD3 PRO A 29 6.951 9.018 -2.976 1.00 1.79 H new ATOM 411 N GLY A 30 7.688 3.972 -4.791 1.00 1.05 N ATOM 412 CA GLY A 30 8.151 3.043 -5.812 1.00 1.36 C ATOM 413 C GLY A 30 7.306 3.124 -7.084 1.00 1.61 C ATOM 414 O GLY A 30 6.095 2.910 -7.047 1.00 2.08 O ATOM 0 H GLY A 30 7.566 3.540 -3.875 1.00 1.05 H new ATOM 0 HA2 GLY A 30 9.192 3.259 -6.054 1.00 1.36 H new ATOM 0 HA3 GLY A 30 8.119 2.027 -5.419 1.00 1.36 H new ATOM 418 N GLY A 31 7.946 3.431 -8.215 1.00 1.69 N ATOM 419 CA GLY A 31 7.277 3.635 -9.486 1.00 2.02 C ATOM 420 C GLY A 31 7.400 5.107 -9.835 1.00 1.39 C ATOM 421 O GLY A 31 8.510 5.609 -9.989 1.00 2.50 O ATOM 0 H GLY A 31 8.958 3.545 -8.266 1.00 1.69 H new ATOM 0 HA2 GLY A 31 7.731 3.018 -10.262 1.00 2.02 H new ATOM 0 HA3 GLY A 31 6.229 3.343 -9.419 1.00 2.02 H new ATOM 425 N GLY A 32 6.270 5.806 -9.936 1.00 1.24 N ATOM 426 CA GLY A 32 6.271 7.246 -10.150 1.00 2.00 C ATOM 427 C GLY A 32 4.931 7.850 -9.755 1.00 1.72 C ATOM 428 O GLY A 32 4.484 8.828 -10.351 1.00 1.54 O ATOM 0 H GLY A 32 5.340 5.393 -9.872 1.00 1.24 H new ATOM 0 HA2 GLY A 32 7.069 7.705 -9.566 1.00 2.00 H new ATOM 0 HA3 GLY A 32 6.478 7.463 -11.198 1.00 2.00 H new ATOM 432 N VAL A 33 4.272 7.278 -8.742 1.00 1.73 N ATOM 433 CA VAL A 33 2.920 7.701 -8.398 1.00 1.44 C ATOM 434 C VAL A 33 2.922 9.126 -7.877 1.00 1.24 C ATOM 435 O VAL A 33 1.920 9.808 -8.036 1.00 1.05 O ATOM 436 CB VAL A 33 2.221 6.719 -7.439 1.00 1.54 C ATOM 437 CG1 VAL A 33 2.557 5.261 -7.789 1.00 2.40 C ATOM 438 CG2 VAL A 33 2.574 6.978 -5.974 1.00 2.73 C ATOM 0 H VAL A 33 4.649 6.533 -8.157 1.00 1.73 H new ATOM 0 HA VAL A 33 2.326 7.687 -9.312 1.00 1.44 H new ATOM 0 HB VAL A 33 1.152 6.887 -7.567 1.00 1.54 H new ATOM 0 HG11 VAL A 33 2.048 4.593 -7.094 1.00 2.40 H new ATOM 0 HG12 VAL A 33 2.228 5.046 -8.806 1.00 2.40 H new ATOM 0 HG13 VAL A 33 3.634 5.108 -7.716 1.00 2.40 H new ATOM 0 HG21 VAL A 33 2.054 6.258 -5.342 1.00 2.73 H new ATOM 0 HG22 VAL A 33 3.650 6.873 -5.835 1.00 2.73 H new ATOM 0 HG23 VAL A 33 2.270 7.988 -5.699 1.00 2.73 H new ATOM 448 N CYS A 34 4.036 9.610 -7.319 1.00 1.41 N ATOM 449 CA CYS A 34 4.142 10.988 -6.868 1.00 1.42 C ATOM 450 C CYS A 34 3.775 11.982 -7.971 1.00 1.30 C ATOM 451 O CYS A 34 3.337 13.080 -7.652 1.00 1.34 O ATOM 452 CB CYS A 34 5.554 11.262 -6.334 1.00 1.79 C ATOM 453 SG CYS A 34 5.480 11.556 -4.547 1.00 2.75 S ATOM 0 H CYS A 34 4.880 9.057 -7.171 1.00 1.41 H new ATOM 0 HA CYS A 34 3.424 11.129 -6.060 1.00 1.42 H new ATOM 0 HB2 CYS A 34 6.205 10.414 -6.547 1.00 1.79 H new ATOM 0 HB3 CYS A 34 5.983 12.128 -6.838 1.00 1.79 H new ATOM 0 HG CYS A 34 6.685 11.575 -4.060 1.00 2.75 H new ATOM 459 N GLY A 35 3.936 11.627 -9.250 1.00 1.27 N ATOM 460 CA GLY A 35 3.534 12.500 -10.341 1.00 1.23 C ATOM 461 C GLY A 35 2.019 12.688 -10.343 1.00 1.10 C ATOM 462 O GLY A 35 1.526 13.807 -10.239 1.00 1.14 O ATOM 0 H GLY A 35 4.342 10.740 -9.548 1.00 1.27 H new ATOM 0 HA2 GLY A 35 4.027 13.467 -10.241 1.00 1.23 H new ATOM 0 HA3 GLY A 35 3.855 12.075 -11.292 1.00 1.23 H new ATOM 466 N ALA A 36 1.268 11.589 -10.462 1.00 1.00 N ATOM 467 CA ALA A 36 -0.188 11.635 -10.489 1.00 0.89 C ATOM 468 C ALA A 36 -0.715 12.255 -9.201 1.00 0.81 C ATOM 469 O ALA A 36 -1.585 13.123 -9.227 1.00 0.74 O ATOM 470 CB ALA A 36 -0.746 10.222 -10.683 1.00 0.94 C ATOM 0 H ALA A 36 1.655 10.649 -10.542 1.00 1.00 H new ATOM 0 HA ALA A 36 -0.515 12.255 -11.324 1.00 0.89 H new ATOM 0 HB1 ALA A 36 -1.835 10.260 -10.703 1.00 0.94 H new ATOM 0 HB2 ALA A 36 -0.380 9.813 -11.625 1.00 0.94 H new ATOM 0 HB3 ALA A 36 -0.420 9.586 -9.860 1.00 0.94 H new ATOM 476 N LEU A 37 -0.173 11.807 -8.072 1.00 0.86 N ATOM 477 CA LEU A 37 -0.583 12.240 -6.754 1.00 0.80 C ATOM 478 C LEU A 37 -0.435 13.739 -6.606 1.00 0.81 C ATOM 479 O LEU A 37 -1.409 14.397 -6.290 1.00 0.81 O ATOM 480 CB LEU A 37 0.198 11.465 -5.680 1.00 0.98 C ATOM 481 CG LEU A 37 -0.648 11.177 -4.437 1.00 0.64 C ATOM 482 CD1 LEU A 37 -1.743 10.157 -4.775 1.00 1.17 C ATOM 483 CD2 LEU A 37 0.238 10.537 -3.366 1.00 0.82 C ATOM 0 H LEU A 37 0.579 11.118 -8.055 1.00 0.86 H new ATOM 0 HA LEU A 37 -1.641 12.017 -6.617 1.00 0.80 H new ATOM 0 HB2 LEU A 37 0.553 10.524 -6.101 1.00 0.98 H new ATOM 0 HB3 LEU A 37 1.079 12.038 -5.392 1.00 0.98 H new ATOM 0 HG LEU A 37 -1.085 12.113 -4.089 1.00 0.64 H new ATOM 0 HD11 LEU A 37 -2.341 9.957 -3.886 1.00 1.17 H new ATOM 0 HD12 LEU A 37 -2.384 10.558 -5.560 1.00 1.17 H new ATOM 0 HD13 LEU A 37 -1.283 9.230 -5.119 1.00 1.17 H new ATOM 0 HD21 LEU A 37 -0.358 10.329 -2.477 1.00 0.82 H new ATOM 0 HD22 LEU A 37 0.656 9.606 -3.749 1.00 0.82 H new ATOM 0 HD23 LEU A 37 1.048 11.220 -3.108 1.00 0.82 H new ATOM 495 N TYR A 38 0.736 14.294 -6.892 1.00 0.96 N ATOM 496 CA TYR A 38 0.967 15.732 -6.878 1.00 1.06 C ATOM 497 C TYR A 38 0.033 16.452 -7.850 1.00 0.98 C ATOM 498 O TYR A 38 -0.438 17.552 -7.572 1.00 1.07 O ATOM 499 CB TYR A 38 2.428 15.951 -7.265 1.00 1.26 C ATOM 500 CG TYR A 38 2.923 17.381 -7.316 1.00 1.61 C ATOM 501 CD1 TYR A 38 3.054 18.124 -6.130 1.00 2.74 C ATOM 502 CD2 TYR A 38 3.333 17.941 -8.542 1.00 1.98 C ATOM 503 CE1 TYR A 38 3.594 19.421 -6.157 1.00 3.16 C ATOM 504 CE2 TYR A 38 3.872 19.239 -8.579 1.00 2.37 C ATOM 505 CZ TYR A 38 4.007 19.985 -7.387 1.00 2.60 C ATOM 506 OH TYR A 38 4.542 21.236 -7.436 1.00 3.13 O ATOM 0 H TYR A 38 1.562 13.751 -7.143 1.00 0.96 H new ATOM 0 HA TYR A 38 0.761 16.142 -5.889 1.00 1.06 H new ATOM 0 HB2 TYR A 38 3.051 15.403 -6.558 1.00 1.26 H new ATOM 0 HB3 TYR A 38 2.589 15.503 -8.245 1.00 1.26 H new ATOM 0 HD1 TYR A 38 2.737 17.695 -5.191 1.00 2.74 H new ATOM 0 HD2 TYR A 38 3.233 17.372 -9.455 1.00 1.98 H new ATOM 0 HE1 TYR A 38 3.693 19.986 -5.242 1.00 3.16 H new ATOM 0 HE2 TYR A 38 4.183 19.667 -9.521 1.00 2.37 H new ATOM 0 HH TYR A 38 4.769 21.459 -8.363 1.00 3.13 H new ATOM 516 N LYS A 39 -0.237 15.841 -9.006 1.00 0.92 N ATOM 517 CA LYS A 39 -0.984 16.469 -10.086 1.00 0.93 C ATOM 518 C LYS A 39 -2.459 16.565 -9.721 1.00 0.92 C ATOM 519 O LYS A 39 -3.169 17.433 -10.222 1.00 1.11 O ATOM 520 CB LYS A 39 -0.760 15.654 -11.367 1.00 1.00 C ATOM 521 CG LYS A 39 -1.451 16.269 -12.583 1.00 1.15 C ATOM 522 CD LYS A 39 -1.069 15.494 -13.850 1.00 1.38 C ATOM 523 CE LYS A 39 -1.663 16.137 -15.109 1.00 1.82 C ATOM 524 NZ LYS A 39 -3.134 15.991 -15.176 1.00 2.79 N ATOM 0 H LYS A 39 0.061 14.888 -9.215 1.00 0.92 H new ATOM 0 HA LYS A 39 -0.633 17.488 -10.252 1.00 0.93 H new ATOM 0 HB2 LYS A 39 0.310 15.577 -11.562 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -1.130 14.640 -11.217 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -2.532 16.249 -12.446 1.00 1.15 H new ATOM 0 HG3 LYS A 39 -1.162 17.315 -12.685 1.00 1.15 H new ATOM 0 HD2 LYS A 39 0.017 15.455 -13.939 1.00 1.38 H new ATOM 0 HD3 LYS A 39 -1.419 14.465 -13.767 1.00 1.38 H new ATOM 0 HE2 LYS A 39 -1.404 17.196 -15.130 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -1.215 15.682 -15.992 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -3.488 16.441 -16.044 1.00 2.79 H new ATOM 0 HZ2 LYS A 39 -3.383 14.981 -15.183 1.00 2.79 H new ATOM 0 HZ3 LYS A 39 -3.566 16.448 -14.348 1.00 2.79 H new ATOM 538 N LYS A 40 -2.944 15.641 -8.892 1.00 0.81 N ATOM 539 CA LYS A 40 -4.326 15.615 -8.454 1.00 0.86 C ATOM 540 C LYS A 40 -4.461 16.398 -7.149 1.00 0.90 C ATOM 541 O LYS A 40 -5.484 17.039 -6.935 1.00 1.12 O ATOM 542 CB LYS A 40 -4.729 14.148 -8.284 1.00 0.84 C ATOM 543 CG LYS A 40 -6.247 13.938 -8.148 1.00 1.08 C ATOM 544 CD LYS A 40 -6.905 13.428 -9.432 1.00 1.33 C ATOM 545 CE LYS A 40 -6.841 14.479 -10.539 1.00 1.33 C ATOM 546 NZ LYS A 40 -7.639 14.064 -11.713 1.00 1.94 N ATOM 0 H LYS A 40 -2.378 14.886 -8.506 1.00 0.81 H new ATOM 0 HA LYS A 40 -4.987 16.085 -9.182 1.00 0.86 H new ATOM 0 HB2 LYS A 40 -4.367 13.579 -9.140 1.00 0.84 H new ATOM 0 HB3 LYS A 40 -4.234 13.744 -7.401 1.00 0.84 H new ATOM 0 HG2 LYS A 40 -6.438 13.228 -7.343 1.00 1.08 H new ATOM 0 HG3 LYS A 40 -6.713 14.880 -7.859 1.00 1.08 H new ATOM 0 HD2 LYS A 40 -6.406 12.517 -9.762 1.00 1.33 H new ATOM 0 HD3 LYS A 40 -7.945 13.168 -9.233 1.00 1.33 H new ATOM 0 HE2 LYS A 40 -7.212 15.432 -10.162 1.00 1.33 H new ATOM 0 HE3 LYS A 40 -5.804 14.635 -10.837 1.00 1.33 H new ATOM 0 HZ1 LYS A 40 -7.578 14.795 -12.450 1.00 1.94 H new ATOM 0 HZ2 LYS A 40 -7.268 13.166 -12.085 1.00 1.94 H new ATOM 0 HZ3 LYS A 40 -8.632 13.938 -11.431 1.00 1.94 H new ATOM 560 N PHE A 41 -3.464 16.301 -6.268 1.00 0.88 N ATOM 561 CA PHE A 41 -3.473 16.879 -4.936 1.00 1.16 C ATOM 562 C PHE A 41 -2.059 16.935 -4.332 1.00 0.97 C ATOM 563 O PHE A 41 -1.567 15.948 -3.782 1.00 0.96 O ATOM 564 CB PHE A 41 -4.448 16.110 -4.036 1.00 1.60 C ATOM 565 CG PHE A 41 -4.406 14.589 -4.032 1.00 0.73 C ATOM 566 CD1 PHE A 41 -5.254 13.853 -4.877 1.00 0.75 C ATOM 567 CD2 PHE A 41 -3.595 13.902 -3.114 1.00 1.82 C ATOM 568 CE1 PHE A 41 -5.293 12.450 -4.809 1.00 0.93 C ATOM 569 CE2 PHE A 41 -3.605 12.497 -3.067 1.00 2.84 C ATOM 570 CZ PHE A 41 -4.462 11.769 -3.906 1.00 2.36 C ATOM 0 H PHE A 41 -2.601 15.799 -6.476 1.00 0.88 H new ATOM 0 HA PHE A 41 -3.819 17.910 -5.010 1.00 1.16 H new ATOM 0 HB2 PHE A 41 -4.285 16.446 -3.012 1.00 1.60 H new ATOM 0 HB3 PHE A 41 -5.458 16.410 -4.313 1.00 1.60 H new ATOM 0 HD1 PHE A 41 -5.882 14.371 -5.586 1.00 0.75 H new ATOM 0 HD2 PHE A 41 -2.959 14.457 -2.440 1.00 1.82 H new ATOM 0 HE1 PHE A 41 -5.962 11.896 -5.451 1.00 0.93 H new ATOM 0 HE2 PHE A 41 -2.951 11.977 -2.383 1.00 2.84 H new ATOM 0 HZ PHE A 41 -4.482 10.690 -3.857 1.00 2.36 H new ATOM 580 N PRO A 42 -1.395 18.100 -4.329 1.00 1.04 N ATOM 581 CA PRO A 42 -0.096 18.267 -3.687 1.00 1.14 C ATOM 582 C PRO A 42 -0.191 18.254 -2.157 1.00 1.22 C ATOM 583 O PRO A 42 0.798 18.489 -1.470 1.00 1.50 O ATOM 584 CB PRO A 42 0.425 19.603 -4.222 1.00 1.42 C ATOM 585 CG PRO A 42 -0.851 20.412 -4.433 1.00 1.54 C ATOM 586 CD PRO A 42 -1.846 19.356 -4.910 1.00 1.27 C ATOM 0 HA PRO A 42 0.578 17.442 -3.916 1.00 1.14 H new ATOM 0 HB2 PRO A 42 1.097 20.087 -3.513 1.00 1.42 H new ATOM 0 HB3 PRO A 42 0.980 19.476 -5.151 1.00 1.42 H new ATOM 0 HG2 PRO A 42 -1.182 20.893 -3.513 1.00 1.54 H new ATOM 0 HG3 PRO A 42 -0.712 21.201 -5.173 1.00 1.54 H new ATOM 0 HD2 PRO A 42 -2.858 19.597 -4.585 1.00 1.27 H new ATOM 0 HD3 PRO A 42 -1.865 19.299 -5.998 1.00 1.27 H new ATOM 594 N GLU A 43 -1.345 17.928 -1.585 1.00 1.20 N ATOM 595 CA GLU A 43 -1.518 17.831 -0.154 1.00 1.47 C ATOM 596 C GLU A 43 -0.926 16.514 0.349 1.00 1.26 C ATOM 597 O GLU A 43 -0.669 16.374 1.540 1.00 1.49 O ATOM 598 CB GLU A 43 -3.012 17.935 0.161 1.00 1.78 C ATOM 599 CG GLU A 43 -3.541 19.365 -0.003 1.00 2.11 C ATOM 600 CD GLU A 43 -3.477 19.856 -1.451 1.00 2.56 C ATOM 601 OE1 GLU A 43 -3.791 19.033 -2.345 1.00 3.94 O ATOM 602 OE2 GLU A 43 -3.087 21.025 -1.646 1.00 2.85 O ATOM 0 H GLU A 43 -2.192 17.723 -2.115 1.00 1.20 H new ATOM 0 HA GLU A 43 -0.995 18.641 0.354 1.00 1.47 H new ATOM 0 HB2 GLU A 43 -3.568 17.266 -0.497 1.00 1.78 H new ATOM 0 HB3 GLU A 43 -3.190 17.598 1.182 1.00 1.78 H new ATOM 0 HG2 GLU A 43 -4.573 19.409 0.346 1.00 2.11 H new ATOM 0 HG3 GLU A 43 -2.962 20.037 0.630 1.00 2.11 H new ATOM 609 N SER A 44 -0.685 15.549 -0.547 1.00 0.92 N ATOM 610 CA SER A 44 -0.075 14.280 -0.181 1.00 0.89 C ATOM 611 C SER A 44 1.434 14.283 -0.458 1.00 0.89 C ATOM 612 O SER A 44 2.007 13.218 -0.683 1.00 1.18 O ATOM 613 CB SER A 44 -0.772 13.183 -0.985 1.00 1.07 C ATOM 614 OG SER A 44 -0.504 11.903 -0.457 1.00 2.47 O ATOM 0 H SER A 44 -0.909 15.632 -1.539 1.00 0.92 H new ATOM 0 HA SER A 44 -0.196 14.105 0.888 1.00 0.89 H new ATOM 0 HB2 SER A 44 -1.848 13.359 -0.986 1.00 1.07 H new ATOM 0 HB3 SER A 44 -0.441 13.226 -2.023 1.00 1.07 H new ATOM 0 HG SER A 44 0.463 11.793 -0.341 1.00 2.47 H new ATOM 620 N PHE A 45 2.089 15.447 -0.457 1.00 1.22 N ATOM 621 CA PHE A 45 3.516 15.625 -0.701 1.00 1.53 C ATOM 622 C PHE A 45 4.337 15.280 0.547 1.00 1.47 C ATOM 623 O PHE A 45 5.276 15.993 0.890 1.00 2.17 O ATOM 624 CB PHE A 45 3.709 17.091 -1.122 1.00 2.75 C ATOM 625 CG PHE A 45 4.881 17.418 -2.022 1.00 3.09 C ATOM 626 CD1 PHE A 45 4.852 16.987 -3.361 1.00 2.83 C ATOM 627 CD2 PHE A 45 5.908 18.273 -1.583 1.00 4.34 C ATOM 628 CE1 PHE A 45 5.837 17.420 -4.264 1.00 3.89 C ATOM 629 CE2 PHE A 45 6.904 18.693 -2.484 1.00 5.11 C ATOM 630 CZ PHE A 45 6.867 18.269 -3.824 1.00 4.90 C ATOM 0 H PHE A 45 1.613 16.331 -0.277 1.00 1.22 H new ATOM 0 HA PHE A 45 3.867 14.953 -1.484 1.00 1.53 H new ATOM 0 HB2 PHE A 45 2.799 17.418 -1.625 1.00 2.75 H new ATOM 0 HB3 PHE A 45 3.805 17.690 -0.216 1.00 2.75 H new ATOM 0 HD1 PHE A 45 4.070 16.321 -3.696 1.00 2.83 H new ATOM 0 HD2 PHE A 45 5.932 18.607 -0.556 1.00 4.34 H new ATOM 0 HE1 PHE A 45 5.803 17.101 -5.295 1.00 3.89 H new ATOM 0 HE2 PHE A 45 7.698 19.342 -2.146 1.00 5.11 H new ATOM 0 HZ PHE A 45 7.630 18.596 -4.515 1.00 4.90 H new ATOM 640 N ASP A 46 4.051 14.152 1.204 1.00 1.30 N ATOM 641 CA ASP A 46 4.881 13.619 2.272 1.00 2.03 C ATOM 642 C ASP A 46 5.860 12.651 1.632 1.00 2.40 C ATOM 643 O ASP A 46 6.014 11.498 2.020 1.00 4.14 O ATOM 644 CB ASP A 46 4.042 12.946 3.355 1.00 2.41 C ATOM 645 CG ASP A 46 4.902 12.578 4.568 1.00 3.30 C ATOM 646 OD1 ASP A 46 5.830 13.369 4.853 1.00 3.63 O ATOM 647 OD2 ASP A 46 4.586 11.566 5.237 1.00 4.29 O ATOM 0 H ASP A 46 3.228 13.583 1.003 1.00 1.30 H new ATOM 0 HA ASP A 46 5.418 14.423 2.776 1.00 2.03 H new ATOM 0 HB2 ASP A 46 3.238 13.614 3.664 1.00 2.41 H new ATOM 0 HB3 ASP A 46 3.573 12.048 2.951 1.00 2.41 H new ATOM 652 N LEU A 47 6.587 13.189 0.659 1.00 1.04 N ATOM 653 CA LEU A 47 7.813 12.610 0.148 1.00 1.10 C ATOM 654 C LEU A 47 8.987 13.046 1.036 1.00 1.02 C ATOM 655 O LEU A 47 10.123 13.163 0.581 1.00 1.23 O ATOM 656 CB LEU A 47 7.990 12.949 -1.339 1.00 1.32 C ATOM 657 CG LEU A 47 7.492 14.334 -1.748 1.00 1.40 C ATOM 658 CD1 LEU A 47 8.163 15.473 -0.982 1.00 1.87 C ATOM 659 CD2 LEU A 47 7.773 14.459 -3.236 1.00 1.63 C ATOM 0 H LEU A 47 6.330 14.061 0.196 1.00 1.04 H new ATOM 0 HA LEU A 47 7.772 11.522 0.193 1.00 1.10 H new ATOM 0 HB2 LEU A 47 9.048 12.870 -1.591 1.00 1.32 H new ATOM 0 HB3 LEU A 47 7.465 12.200 -1.932 1.00 1.32 H new ATOM 0 HG LEU A 47 6.431 14.422 -1.513 1.00 1.40 H new ATOM 0 HD11 LEU A 47 7.762 16.427 -1.323 1.00 1.87 H new ATOM 0 HD12 LEU A 47 7.969 15.358 0.084 1.00 1.87 H new ATOM 0 HD13 LEU A 47 9.238 15.447 -1.160 1.00 1.87 H new ATOM 0 HD21 LEU A 47 7.437 15.434 -3.589 1.00 1.63 H new ATOM 0 HD22 LEU A 47 8.844 14.358 -3.414 1.00 1.63 H new ATOM 0 HD23 LEU A 47 7.240 13.675 -3.774 1.00 1.63 H new ATOM 671 N GLN A 48 8.717 13.276 2.325 1.00 0.90 N ATOM 672 CA GLN A 48 9.763 13.478 3.322 1.00 1.00 C ATOM 673 C GLN A 48 10.365 12.122 3.711 1.00 0.90 C ATOM 674 O GLN A 48 9.811 11.075 3.379 1.00 0.85 O ATOM 675 CB GLN A 48 9.171 14.158 4.572 1.00 1.16 C ATOM 676 CG GLN A 48 9.578 15.631 4.710 1.00 2.39 C ATOM 677 CD GLN A 48 8.653 16.580 3.957 1.00 3.83 C ATOM 678 OE1 GLN A 48 9.093 17.347 3.110 1.00 5.69 O ATOM 679 NE2 GLN A 48 7.365 16.573 4.279 1.00 3.96 N ATOM 0 H GLN A 48 7.770 13.326 2.701 1.00 0.90 H new ATOM 0 HA GLN A 48 10.541 14.116 2.903 1.00 1.00 H new ATOM 0 HB2 GLN A 48 8.084 14.090 4.534 1.00 1.16 H new ATOM 0 HB3 GLN A 48 9.493 13.614 5.460 1.00 1.16 H new ATOM 0 HG2 GLN A 48 9.586 15.902 5.766 1.00 2.39 H new ATOM 0 HG3 GLN A 48 10.596 15.757 4.341 1.00 2.39 H new ATOM 0 HE21 GLN A 48 7.020 15.925 4.988 1.00 3.96 H new ATOM 0 HE22 GLN A 48 6.721 17.215 3.818 1.00 3.96 H new ATOM 688 N PRO A 49 11.491 12.115 4.437 1.00 0.92 N ATOM 689 CA PRO A 49 12.070 10.886 4.944 1.00 0.91 C ATOM 690 C PRO A 49 11.210 10.334 6.083 1.00 0.84 C ATOM 691 O PRO A 49 10.697 11.087 6.912 1.00 1.03 O ATOM 692 CB PRO A 49 13.473 11.274 5.416 1.00 1.01 C ATOM 693 CG PRO A 49 13.311 12.735 5.834 1.00 1.05 C ATOM 694 CD PRO A 49 12.275 13.269 4.846 1.00 1.00 C ATOM 0 HA PRO A 49 12.117 10.096 4.194 1.00 0.91 H new ATOM 0 HB2 PRO A 49 13.804 10.652 6.248 1.00 1.01 H new ATOM 0 HB3 PRO A 49 14.210 11.162 4.621 1.00 1.01 H new ATOM 0 HG2 PRO A 49 12.967 12.823 6.865 1.00 1.05 H new ATOM 0 HG3 PRO A 49 14.252 13.280 5.764 1.00 1.05 H new ATOM 0 HD2 PRO A 49 11.644 14.026 5.311 1.00 1.00 H new ATOM 0 HD3 PRO A 49 12.757 13.739 3.989 1.00 1.00 H new ATOM 702 N ILE A 50 11.067 9.009 6.142 1.00 0.69 N ATOM 703 CA ILE A 50 10.256 8.302 7.113 1.00 0.71 C ATOM 704 C ILE A 50 11.151 7.271 7.796 1.00 0.76 C ATOM 705 O ILE A 50 12.210 6.909 7.280 1.00 0.78 O ATOM 706 CB ILE A 50 9.064 7.635 6.405 1.00 0.66 C ATOM 707 CG1 ILE A 50 8.280 8.684 5.590 1.00 0.90 C ATOM 708 CG2 ILE A 50 8.138 6.960 7.423 1.00 0.74 C ATOM 709 CD1 ILE A 50 7.188 8.075 4.715 1.00 1.43 C ATOM 0 H ILE A 50 11.534 8.382 5.486 1.00 0.69 H new ATOM 0 HA ILE A 50 9.849 8.983 7.861 1.00 0.71 H new ATOM 0 HB ILE A 50 9.447 6.871 5.729 1.00 0.66 H new ATOM 0 HG12 ILE A 50 7.829 9.403 6.274 1.00 0.90 H new ATOM 0 HG13 ILE A 50 8.975 9.238 4.959 1.00 0.90 H new ATOM 0 HG21 ILE A 50 7.302 6.495 6.901 1.00 0.74 H new ATOM 0 HG22 ILE A 50 8.693 6.199 7.971 1.00 0.74 H new ATOM 0 HG23 ILE A 50 7.760 7.706 8.122 1.00 0.74 H new ATOM 0 HD11 ILE A 50 6.675 8.867 4.169 1.00 1.43 H new ATOM 0 HD12 ILE A 50 7.636 7.377 4.007 1.00 1.43 H new ATOM 0 HD13 ILE A 50 6.472 7.545 5.343 1.00 1.43 H new ATOM 721 N GLU A 51 10.717 6.780 8.951 1.00 0.87 N ATOM 722 CA GLU A 51 11.336 5.679 9.644 1.00 0.97 C ATOM 723 C GLU A 51 11.302 4.413 8.792 1.00 0.87 C ATOM 724 O GLU A 51 10.529 4.276 7.850 1.00 0.97 O ATOM 725 CB GLU A 51 10.566 5.423 10.940 1.00 1.12 C ATOM 726 CG GLU A 51 10.983 6.336 12.100 1.00 2.29 C ATOM 727 CD GLU A 51 10.120 7.599 12.169 1.00 3.16 C ATOM 728 OE1 GLU A 51 9.917 8.238 11.113 1.00 4.17 O ATOM 729 OE2 GLU A 51 9.589 7.887 13.267 1.00 3.80 O ATOM 0 H GLU A 51 9.902 7.154 9.437 1.00 0.87 H new ATOM 0 HA GLU A 51 12.376 5.932 9.852 1.00 0.97 H new ATOM 0 HB2 GLU A 51 9.501 5.556 10.751 1.00 1.12 H new ATOM 0 HB3 GLU A 51 10.710 4.384 11.238 1.00 1.12 H new ATOM 0 HG2 GLU A 51 10.903 5.789 13.040 1.00 2.29 H new ATOM 0 HG3 GLU A 51 12.030 6.617 11.983 1.00 2.29 H new ATOM 736 N VAL A 52 12.106 3.433 9.184 1.00 0.85 N ATOM 737 CA VAL A 52 12.149 2.144 8.533 1.00 0.85 C ATOM 738 C VAL A 52 11.264 1.209 9.333 1.00 0.92 C ATOM 739 O VAL A 52 11.599 0.839 10.453 1.00 1.23 O ATOM 740 CB VAL A 52 13.600 1.642 8.430 1.00 1.03 C ATOM 741 CG1 VAL A 52 13.677 0.362 7.591 1.00 1.19 C ATOM 742 CG2 VAL A 52 14.500 2.697 7.774 1.00 1.19 C ATOM 0 H VAL A 52 12.750 3.518 9.971 1.00 0.85 H new ATOM 0 HA VAL A 52 11.779 2.201 7.509 1.00 0.85 H new ATOM 0 HB VAL A 52 13.942 1.442 9.445 1.00 1.03 H new ATOM 0 HG11 VAL A 52 14.713 0.027 7.533 1.00 1.19 H new ATOM 0 HG12 VAL A 52 13.070 -0.415 8.056 1.00 1.19 H new ATOM 0 HG13 VAL A 52 13.304 0.562 6.587 1.00 1.19 H new ATOM 0 HG21 VAL A 52 15.520 2.318 7.713 1.00 1.19 H new ATOM 0 HG22 VAL A 52 14.133 2.915 6.771 1.00 1.19 H new ATOM 0 HG23 VAL A 52 14.487 3.609 8.371 1.00 1.19 H new ATOM 752 N GLY A 53 10.109 0.885 8.756 1.00 0.71 N ATOM 753 CA GLY A 53 9.158 -0.070 9.307 1.00 0.71 C ATOM 754 C GLY A 53 7.820 0.611 9.563 1.00 0.71 C ATOM 755 O GLY A 53 6.767 -0.019 9.532 1.00 1.05 O ATOM 0 H GLY A 53 9.804 1.291 7.871 1.00 0.71 H new ATOM 0 HA2 GLY A 53 9.025 -0.902 8.616 1.00 0.71 H new ATOM 0 HA3 GLY A 53 9.546 -0.487 10.236 1.00 0.71 H new ATOM 759 N LYS A 54 7.848 1.921 9.808 1.00 0.60 N ATOM 760 CA LYS A 54 6.692 2.646 10.285 1.00 0.59 C ATOM 761 C LYS A 54 6.131 3.473 9.140 1.00 0.60 C ATOM 762 O LYS A 54 6.881 4.036 8.349 1.00 0.62 O ATOM 763 CB LYS A 54 7.121 3.484 11.493 1.00 0.69 C ATOM 764 CG LYS A 54 6.104 4.582 11.795 1.00 1.95 C ATOM 765 CD LYS A 54 6.256 5.129 13.218 1.00 2.34 C ATOM 766 CE LYS A 54 7.580 5.885 13.333 1.00 3.46 C ATOM 767 NZ LYS A 54 7.862 6.340 14.708 1.00 4.17 N ATOM 0 H LYS A 54 8.677 2.501 9.678 1.00 0.60 H new ATOM 0 HA LYS A 54 5.893 1.983 10.616 1.00 0.59 H new ATOM 0 HB2 LYS A 54 7.233 2.839 12.365 1.00 0.69 H new ATOM 0 HB3 LYS A 54 8.096 3.931 11.300 1.00 0.69 H new ATOM 0 HG2 LYS A 54 6.225 5.395 11.079 1.00 1.95 H new ATOM 0 HG3 LYS A 54 5.096 4.189 11.663 1.00 1.95 H new ATOM 0 HD2 LYS A 54 5.424 5.792 13.455 1.00 2.34 H new ATOM 0 HD3 LYS A 54 6.228 4.312 13.939 1.00 2.34 H new ATOM 0 HE2 LYS A 54 8.391 5.241 12.995 1.00 3.46 H new ATOM 0 HE3 LYS A 54 7.559 6.748 12.667 1.00 3.46 H new ATOM 0 HZ1 LYS A 54 8.548 7.121 14.681 1.00 4.17 H new ATOM 0 HZ2 LYS A 54 6.981 6.668 15.153 1.00 4.17 H new ATOM 0 HZ3 LYS A 54 8.256 5.552 15.260 1.00 4.17 H new ATOM 781 N ALA A 55 4.805 3.556 9.074 1.00 0.63 N ATOM 782 CA ALA A 55 4.100 4.358 8.088 1.00 0.60 C ATOM 783 C ALA A 55 3.673 5.695 8.705 1.00 0.68 C ATOM 784 O ALA A 55 3.305 5.739 9.878 1.00 0.81 O ATOM 785 CB ALA A 55 2.882 3.567 7.601 1.00 0.60 C ATOM 0 H ALA A 55 4.185 3.060 9.714 1.00 0.63 H new ATOM 0 HA ALA A 55 4.752 4.575 7.242 1.00 0.60 H new ATOM 0 HB1 ALA A 55 2.340 4.154 6.860 1.00 0.60 H new ATOM 0 HB2 ALA A 55 3.212 2.630 7.152 1.00 0.60 H new ATOM 0 HB3 ALA A 55 2.226 3.353 8.445 1.00 0.60 H new ATOM 791 N ARG A 56 3.682 6.779 7.923 1.00 0.65 N ATOM 792 CA ARG A 56 3.145 8.075 8.319 1.00 0.74 C ATOM 793 C ARG A 56 1.822 8.310 7.606 1.00 0.61 C ATOM 794 O ARG A 56 1.767 8.444 6.388 1.00 0.83 O ATOM 795 CB ARG A 56 4.128 9.206 7.974 1.00 1.20 C ATOM 796 CG ARG A 56 5.243 9.276 9.017 1.00 1.26 C ATOM 797 CD ARG A 56 6.162 10.476 8.759 1.00 1.93 C ATOM 798 NE ARG A 56 7.338 10.438 9.644 1.00 2.63 N ATOM 799 CZ ARG A 56 7.342 10.701 10.958 1.00 2.81 C ATOM 800 NH1 ARG A 56 8.431 10.462 11.681 1.00 3.76 N ATOM 801 NH2 ARG A 56 6.253 11.188 11.553 1.00 3.25 N ATOM 0 H ARG A 56 4.071 6.775 6.980 1.00 0.65 H new ATOM 0 HA ARG A 56 2.991 8.074 9.398 1.00 0.74 H new ATOM 0 HB2 ARG A 56 4.555 9.037 6.986 1.00 1.20 H new ATOM 0 HB3 ARG A 56 3.598 10.158 7.934 1.00 1.20 H new ATOM 0 HG2 ARG A 56 4.809 9.353 10.014 1.00 1.26 H new ATOM 0 HG3 ARG A 56 5.826 8.355 8.994 1.00 1.26 H new ATOM 0 HD2 ARG A 56 6.485 10.474 7.718 1.00 1.93 H new ATOM 0 HD3 ARG A 56 5.611 11.402 8.920 1.00 1.93 H new ATOM 0 HE ARG A 56 8.231 10.189 9.218 1.00 2.63 H new ATOM 0 HH11 ARG A 56 9.265 10.078 11.236 1.00 3.76 H new ATOM 0 HH12 ARG A 56 8.433 10.662 12.681 1.00 3.76 H new ATOM 0 HH21 ARG A 56 5.409 11.363 11.008 1.00 3.25 H new ATOM 0 HH22 ARG A 56 6.264 11.386 12.554 1.00 3.25 H new ATOM 815 N LEU A 57 0.741 8.378 8.374 1.00 0.56 N ATOM 816 CA LEU A 57 -0.530 8.898 7.900 1.00 0.85 C ATOM 817 C LEU A 57 -0.407 10.404 7.701 1.00 1.14 C ATOM 818 O LEU A 57 0.225 11.084 8.505 1.00 1.27 O ATOM 819 CB LEU A 57 -1.646 8.544 8.895 1.00 1.04 C ATOM 820 CG LEU A 57 -1.501 9.190 10.287 1.00 1.17 C ATOM 821 CD1 LEU A 57 -2.542 10.298 10.481 1.00 1.76 C ATOM 822 CD2 LEU A 57 -1.690 8.126 11.370 1.00 1.63 C ATOM 0 H LEU A 57 0.724 8.072 9.347 1.00 0.56 H new ATOM 0 HA LEU A 57 -0.790 8.445 6.944 1.00 0.85 H new ATOM 0 HB2 LEU A 57 -2.603 8.845 8.468 1.00 1.04 H new ATOM 0 HB3 LEU A 57 -1.677 7.461 9.014 1.00 1.04 H new ATOM 0 HG LEU A 57 -0.505 9.625 10.363 1.00 1.17 H new ATOM 0 HD11 LEU A 57 -2.422 10.741 11.470 1.00 1.76 H new ATOM 0 HD12 LEU A 57 -2.402 11.066 9.720 1.00 1.76 H new ATOM 0 HD13 LEU A 57 -3.543 9.876 10.391 1.00 1.76 H new ATOM 0 HD21 LEU A 57 -1.587 8.585 12.353 1.00 1.63 H new ATOM 0 HD22 LEU A 57 -2.683 7.685 11.278 1.00 1.63 H new ATOM 0 HD23 LEU A 57 -0.935 7.349 11.252 1.00 1.63 H new ATOM 834 N VAL A 58 -1.011 10.931 6.638 1.00 1.30 N ATOM 835 CA VAL A 58 -0.962 12.333 6.304 1.00 1.59 C ATOM 836 C VAL A 58 -2.394 12.745 6.006 1.00 1.66 C ATOM 837 O VAL A 58 -3.078 12.119 5.199 1.00 1.44 O ATOM 838 CB VAL A 58 0.011 12.570 5.139 1.00 1.55 C ATOM 839 CG1 VAL A 58 1.364 11.918 5.439 1.00 1.88 C ATOM 840 CG2 VAL A 58 -0.447 12.069 3.765 1.00 1.56 C ATOM 0 H VAL A 58 -1.556 10.376 5.979 1.00 1.30 H new ATOM 0 HA VAL A 58 -0.576 12.948 7.117 1.00 1.59 H new ATOM 0 HB VAL A 58 0.069 13.656 5.070 1.00 1.55 H new ATOM 0 HG11 VAL A 58 2.045 12.093 4.606 1.00 1.88 H new ATOM 0 HG12 VAL A 58 1.783 12.351 6.347 1.00 1.88 H new ATOM 0 HG13 VAL A 58 1.228 10.845 5.578 1.00 1.88 H new ATOM 0 HG21 VAL A 58 0.320 12.291 3.023 1.00 1.56 H new ATOM 0 HG22 VAL A 58 -0.611 10.992 3.806 1.00 1.56 H new ATOM 0 HG23 VAL A 58 -1.376 12.567 3.487 1.00 1.56 H new ATOM 850 N LYS A 59 -2.895 13.762 6.699 1.00 2.12 N ATOM 851 CA LYS A 59 -4.284 14.158 6.559 1.00 2.39 C ATOM 852 C LYS A 59 -4.315 15.534 5.918 1.00 2.37 C ATOM 853 O LYS A 59 -4.416 16.544 6.608 1.00 3.23 O ATOM 854 CB LYS A 59 -5.014 14.055 7.905 1.00 3.42 C ATOM 855 CG LYS A 59 -4.352 14.828 9.060 1.00 3.08 C ATOM 856 CD LYS A 59 -5.365 15.779 9.706 1.00 4.04 C ATOM 857 CE LYS A 59 -6.499 15.006 10.392 1.00 6.01 C ATOM 858 NZ LYS A 59 -6.116 14.542 11.742 1.00 6.88 N ATOM 0 H LYS A 59 -2.358 14.323 7.361 1.00 2.12 H new ATOM 0 HA LYS A 59 -4.833 13.483 5.902 1.00 2.39 H new ATOM 0 HB2 LYS A 59 -6.033 14.421 7.779 1.00 3.42 H new ATOM 0 HB3 LYS A 59 -5.085 13.004 8.184 1.00 3.42 H new ATOM 0 HG2 LYS A 59 -3.972 14.129 9.805 1.00 3.08 H new ATOM 0 HG3 LYS A 59 -3.498 15.393 8.687 1.00 3.08 H new ATOM 0 HD2 LYS A 59 -4.859 16.411 10.436 1.00 4.04 H new ATOM 0 HD3 LYS A 59 -5.781 16.441 8.946 1.00 4.04 H new ATOM 0 HE2 LYS A 59 -7.380 15.644 10.464 1.00 6.01 H new ATOM 0 HE3 LYS A 59 -6.776 14.148 9.779 1.00 6.01 H new ATOM 0 HZ1 LYS A 59 -6.910 14.025 12.170 1.00 6.88 H new ATOM 0 HZ2 LYS A 59 -5.291 13.913 11.672 1.00 6.88 H new ATOM 0 HZ3 LYS A 59 -5.877 15.362 12.336 1.00 6.88 H new ATOM 872 N GLY A 60 -4.166 15.573 4.594 1.00 1.56 N ATOM 873 CA GLY A 60 -4.139 16.815 3.874 1.00 1.68 C ATOM 874 C GLY A 60 -5.561 17.239 3.554 1.00 1.51 C ATOM 875 O GLY A 60 -6.507 16.461 3.652 1.00 1.41 O ATOM 0 H GLY A 60 -4.063 14.744 4.008 1.00 1.56 H new ATOM 0 HA2 GLY A 60 -3.643 17.583 4.468 1.00 1.68 H new ATOM 0 HA3 GLY A 60 -3.565 16.703 2.954 1.00 1.68 H new ATOM 879 N ALA A 61 -5.696 18.500 3.163 1.00 1.63 N ATOM 880 CA ALA A 61 -6.988 19.132 2.931 1.00 1.71 C ATOM 881 C ALA A 61 -7.757 18.432 1.812 1.00 1.47 C ATOM 882 O ALA A 61 -8.971 18.282 1.888 1.00 1.59 O ATOM 883 CB ALA A 61 -6.792 20.618 2.621 1.00 1.91 C ATOM 0 H ALA A 61 -4.903 19.119 2.996 1.00 1.63 H new ATOM 0 HA ALA A 61 -7.586 19.040 3.838 1.00 1.71 H new ATOM 0 HB1 ALA A 61 -7.762 21.085 2.449 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -6.300 21.104 3.464 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -6.174 20.725 1.730 1.00 1.91 H new ATOM 889 N ALA A 62 -7.046 18.028 0.759 1.00 1.22 N ATOM 890 CA ALA A 62 -7.648 17.348 -0.374 1.00 1.04 C ATOM 891 C ALA A 62 -8.191 15.982 0.042 1.00 1.01 C ATOM 892 O ALA A 62 -9.310 15.625 -0.316 1.00 1.17 O ATOM 893 CB ALA A 62 -6.614 17.199 -1.492 1.00 0.89 C ATOM 0 H ALA A 62 -6.039 18.165 0.673 1.00 1.22 H new ATOM 0 HA ALA A 62 -8.484 17.943 -0.740 1.00 1.04 H new ATOM 0 HB1 ALA A 62 -7.068 16.688 -2.341 1.00 0.89 H new ATOM 0 HB2 ALA A 62 -6.270 18.185 -1.803 1.00 0.89 H new ATOM 0 HB3 ALA A 62 -5.767 16.617 -1.129 1.00 0.89 H new ATOM 899 N LYS A 63 -7.375 15.179 0.733 1.00 0.88 N ATOM 900 CA LYS A 63 -7.735 13.823 1.121 1.00 0.96 C ATOM 901 C LYS A 63 -6.757 13.347 2.196 1.00 0.86 C ATOM 902 O LYS A 63 -5.677 13.919 2.350 1.00 0.80 O ATOM 903 CB LYS A 63 -7.678 12.918 -0.124 1.00 1.01 C ATOM 904 CG LYS A 63 -8.449 11.604 0.053 1.00 1.62 C ATOM 905 CD LYS A 63 -8.431 10.793 -1.246 1.00 3.28 C ATOM 906 CE LYS A 63 -7.196 9.885 -1.336 1.00 4.85 C ATOM 907 NZ LYS A 63 -6.951 9.420 -2.722 1.00 6.89 N ATOM 0 H LYS A 63 -6.443 15.459 1.038 1.00 0.88 H new ATOM 0 HA LYS A 63 -8.746 13.787 1.528 1.00 0.96 H new ATOM 0 HB2 LYS A 63 -8.085 13.459 -0.978 1.00 1.01 H new ATOM 0 HB3 LYS A 63 -6.637 12.693 -0.355 1.00 1.01 H new ATOM 0 HG2 LYS A 63 -8.005 11.020 0.859 1.00 1.62 H new ATOM 0 HG3 LYS A 63 -9.478 11.816 0.342 1.00 1.62 H new ATOM 0 HD2 LYS A 63 -9.334 10.185 -1.307 1.00 3.28 H new ATOM 0 HD3 LYS A 63 -8.445 11.472 -2.098 1.00 3.28 H new ATOM 0 HE2 LYS A 63 -6.321 10.425 -0.975 1.00 4.85 H new ATOM 0 HE3 LYS A 63 -7.331 9.023 -0.682 1.00 4.85 H new ATOM 0 HZ1 LYS A 63 -5.936 9.237 -2.852 1.00 6.89 H new ATOM 0 HZ2 LYS A 63 -7.486 8.545 -2.894 1.00 6.89 H new ATOM 0 HZ3 LYS A 63 -7.260 10.152 -3.393 1.00 6.89 H new ATOM 921 N HIS A 64 -7.104 12.275 2.907 1.00 1.14 N ATOM 922 CA HIS A 64 -6.166 11.576 3.773 1.00 1.08 C ATOM 923 C HIS A 64 -5.504 10.453 2.971 1.00 0.98 C ATOM 924 O HIS A 64 -6.145 9.810 2.139 1.00 1.03 O ATOM 925 CB HIS A 64 -6.900 11.009 4.990 1.00 1.18 C ATOM 926 CG HIS A 64 -7.667 12.011 5.820 1.00 1.43 C ATOM 927 ND1 HIS A 64 -8.581 11.682 6.796 1.00 1.73 N ATOM 928 CD2 HIS A 64 -7.611 13.381 5.750 1.00 1.48 C ATOM 929 CE1 HIS A 64 -9.061 12.829 7.307 1.00 1.94 C ATOM 930 NE2 HIS A 64 -8.488 13.887 6.713 1.00 1.78 N ATOM 0 H HIS A 64 -8.040 11.871 2.897 1.00 1.14 H new ATOM 0 HA HIS A 64 -5.402 12.266 4.131 1.00 1.08 H new ATOM 0 HB2 HIS A 64 -7.594 10.242 4.647 1.00 1.18 H new ATOM 0 HB3 HIS A 64 -6.171 10.515 5.633 1.00 1.18 H new ATOM 0 HD2 HIS A 64 -7.001 13.962 5.074 1.00 1.48 H new ATOM 0 HE1 HIS A 64 -9.805 12.890 8.088 1.00 1.94 H new ATOM 0 HE2 HIS A 64 -8.659 14.870 6.924 1.00 1.78 H new ATOM 938 N ILE A 65 -4.207 10.242 3.192 1.00 0.89 N ATOM 939 CA ILE A 65 -3.376 9.247 2.530 1.00 0.72 C ATOM 940 C ILE A 65 -2.448 8.679 3.599 1.00 0.57 C ATOM 941 O ILE A 65 -2.304 9.274 4.658 1.00 0.67 O ATOM 942 CB ILE A 65 -2.621 9.889 1.338 1.00 0.66 C ATOM 943 CG1 ILE A 65 -3.579 10.299 0.202 1.00 0.80 C ATOM 944 CG2 ILE A 65 -1.562 8.965 0.717 1.00 0.69 C ATOM 945 CD1 ILE A 65 -4.010 11.763 0.291 1.00 0.78 C ATOM 0 H ILE A 65 -3.684 10.791 3.874 1.00 0.89 H new ATOM 0 HA ILE A 65 -3.962 8.436 2.098 1.00 0.72 H new ATOM 0 HB ILE A 65 -2.133 10.762 1.771 1.00 0.66 H new ATOM 0 HG12 ILE A 65 -3.092 10.126 -0.758 1.00 0.80 H new ATOM 0 HG13 ILE A 65 -4.463 9.662 0.231 1.00 0.80 H new ATOM 0 HG21 ILE A 65 -1.073 9.477 -0.111 1.00 0.69 H new ATOM 0 HG22 ILE A 65 -0.820 8.704 1.471 1.00 0.69 H new ATOM 0 HG23 ILE A 65 -2.041 8.058 0.350 1.00 0.69 H new ATOM 0 HD11 ILE A 65 -4.683 11.995 -0.534 1.00 0.78 H new ATOM 0 HD12 ILE A 65 -4.523 11.934 1.237 1.00 0.78 H new ATOM 0 HD13 ILE A 65 -3.131 12.405 0.233 1.00 0.78 H new ATOM 957 N ILE A 66 -1.815 7.536 3.361 1.00 0.48 N ATOM 958 CA ILE A 66 -0.874 6.926 4.280 1.00 0.40 C ATOM 959 C ILE A 66 0.373 6.617 3.458 1.00 0.40 C ATOM 960 O ILE A 66 0.277 6.255 2.281 1.00 0.45 O ATOM 961 CB ILE A 66 -1.467 5.660 4.939 1.00 0.50 C ATOM 962 CG1 ILE A 66 -2.942 5.779 5.381 1.00 0.58 C ATOM 963 CG2 ILE A 66 -0.607 5.232 6.137 1.00 0.54 C ATOM 964 CD1 ILE A 66 -3.187 6.673 6.595 1.00 0.56 C ATOM 0 H ILE A 66 -1.948 6.999 2.504 1.00 0.48 H new ATOM 0 HA ILE A 66 -0.635 7.593 5.108 1.00 0.40 H new ATOM 0 HB ILE A 66 -1.453 4.903 4.155 1.00 0.50 H new ATOM 0 HG12 ILE A 66 -3.526 6.162 4.544 1.00 0.58 H new ATOM 0 HG13 ILE A 66 -3.320 4.781 5.603 1.00 0.58 H new ATOM 0 HG21 ILE A 66 -1.036 4.339 6.592 1.00 0.54 H new ATOM 0 HG22 ILE A 66 0.406 5.016 5.799 1.00 0.54 H new ATOM 0 HG23 ILE A 66 -0.580 6.037 6.872 1.00 0.54 H new ATOM 0 HD11 ILE A 66 -4.252 6.691 6.825 1.00 0.56 H new ATOM 0 HD12 ILE A 66 -2.637 6.282 7.451 1.00 0.56 H new ATOM 0 HD13 ILE A 66 -2.846 7.685 6.376 1.00 0.56 H new ATOM 976 N HIS A 67 1.543 6.780 4.067 1.00 0.38 N ATOM 977 CA HIS A 67 2.823 6.576 3.409 1.00 0.46 C ATOM 978 C HIS A 67 3.515 5.460 4.172 1.00 0.46 C ATOM 979 O HIS A 67 3.860 5.638 5.334 1.00 0.66 O ATOM 980 CB HIS A 67 3.649 7.871 3.414 1.00 0.53 C ATOM 981 CG HIS A 67 3.067 8.942 2.526 1.00 1.21 C ATOM 982 ND1 HIS A 67 3.578 9.385 1.335 1.00 2.97 N flip ATOM 983 CD2 HIS A 67 1.863 9.575 2.725 1.00 2.04 C flip ATOM 984 CE1 HIS A 67 2.635 10.253 0.772 1.00 3.37 C flip ATOM 985 NE2 HIS A 67 1.634 10.356 1.656 1.00 2.55 N flip ATOM 0 H HIS A 67 1.627 7.061 5.044 1.00 0.38 H new ATOM 0 HA HIS A 67 2.700 6.304 2.361 1.00 0.46 H new ATOM 0 HB2 HIS A 67 3.716 8.249 4.434 1.00 0.53 H new ATOM 0 HB3 HIS A 67 4.665 7.649 3.089 1.00 0.53 H new ATOM 0 HD1 HIS A 67 4.480 9.129 0.932 1.00 2.97 H new ATOM 0 HD2 HIS A 67 1.218 9.465 3.584 1.00 2.04 H new ATOM 0 HE1 HIS A 67 2.702 10.744 -0.188 1.00 3.37 H new ATOM 993 N ALA A 68 3.686 4.298 3.552 1.00 0.35 N ATOM 994 CA ALA A 68 4.347 3.169 4.174 1.00 0.40 C ATOM 995 C ALA A 68 5.789 3.134 3.699 1.00 0.50 C ATOM 996 O ALA A 68 6.182 3.855 2.781 1.00 0.89 O ATOM 997 CB ALA A 68 3.634 1.871 3.785 1.00 0.55 C ATOM 0 H ALA A 68 3.367 4.117 2.600 1.00 0.35 H new ATOM 0 HA ALA A 68 4.317 3.269 5.259 1.00 0.40 H new ATOM 0 HB1 ALA A 68 4.135 1.025 4.256 1.00 0.55 H new ATOM 0 HB2 ALA A 68 2.598 1.911 4.120 1.00 0.55 H new ATOM 0 HB3 ALA A 68 3.661 1.752 2.702 1.00 0.55 H new ATOM 1003 N VAL A 69 6.576 2.255 4.308 1.00 0.41 N ATOM 1004 CA VAL A 69 7.947 2.054 3.962 1.00 0.52 C ATOM 1005 C VAL A 69 8.117 0.574 3.676 1.00 0.65 C ATOM 1006 O VAL A 69 7.692 -0.270 4.461 1.00 0.69 O ATOM 1007 CB VAL A 69 8.783 2.565 5.140 1.00 0.73 C ATOM 1008 CG1 VAL A 69 10.229 2.098 5.013 1.00 1.44 C ATOM 1009 CG2 VAL A 69 8.618 4.086 5.225 1.00 1.60 C ATOM 0 H VAL A 69 6.256 1.657 5.070 1.00 0.41 H new ATOM 0 HA VAL A 69 8.273 2.595 3.074 1.00 0.52 H new ATOM 0 HB VAL A 69 8.433 2.147 6.084 1.00 0.73 H new ATOM 0 HG11 VAL A 69 10.807 2.471 5.858 1.00 1.44 H new ATOM 0 HG12 VAL A 69 10.260 1.008 5.004 1.00 1.44 H new ATOM 0 HG13 VAL A 69 10.655 2.481 4.085 1.00 1.44 H new ATOM 0 HG21 VAL A 69 9.206 4.470 6.059 1.00 1.60 H new ATOM 0 HG22 VAL A 69 8.963 4.542 4.297 1.00 1.60 H new ATOM 0 HG23 VAL A 69 7.567 4.330 5.380 1.00 1.60 H new ATOM 1019 N GLY A 70 8.726 0.274 2.534 1.00 1.02 N ATOM 1020 CA GLY A 70 9.130 -1.056 2.155 1.00 1.38 C ATOM 1021 C GLY A 70 10.343 -0.966 1.241 1.00 1.36 C ATOM 1022 O GLY A 70 10.299 -0.263 0.236 1.00 1.35 O ATOM 0 H GLY A 70 8.955 0.978 1.832 1.00 1.02 H new ATOM 0 HA2 GLY A 70 9.370 -1.643 3.041 1.00 1.38 H new ATOM 0 HA3 GLY A 70 8.313 -1.567 1.646 1.00 1.38 H new ATOM 1026 N PRO A 71 11.452 -1.629 1.584 1.00 2.08 N ATOM 1027 CA PRO A 71 12.602 -1.722 0.712 1.00 2.36 C ATOM 1028 C PRO A 71 12.276 -2.638 -0.474 1.00 1.57 C ATOM 1029 O PRO A 71 11.135 -3.031 -0.705 1.00 1.25 O ATOM 1030 CB PRO A 71 13.721 -2.257 1.612 1.00 3.39 C ATOM 1031 CG PRO A 71 12.967 -3.142 2.600 1.00 3.53 C ATOM 1032 CD PRO A 71 11.668 -2.370 2.810 1.00 2.97 C ATOM 0 HA PRO A 71 12.900 -0.774 0.264 1.00 2.36 H new ATOM 0 HB2 PRO A 71 14.460 -2.823 1.045 1.00 3.39 H new ATOM 0 HB3 PRO A 71 14.254 -1.451 2.116 1.00 3.39 H new ATOM 0 HG2 PRO A 71 12.786 -4.138 2.196 1.00 3.53 H new ATOM 0 HG3 PRO A 71 13.518 -3.271 3.532 1.00 3.53 H new ATOM 0 HD2 PRO A 71 10.838 -3.047 3.010 1.00 2.97 H new ATOM 0 HD3 PRO A 71 11.745 -1.699 3.665 1.00 2.97 H new ATOM 1040 N ASN A 72 13.297 -2.992 -1.246 1.00 1.51 N ATOM 1041 CA ASN A 72 13.130 -3.662 -2.517 1.00 1.13 C ATOM 1042 C ASN A 72 13.741 -5.034 -2.316 1.00 0.98 C ATOM 1043 O ASN A 72 14.950 -5.085 -2.121 1.00 1.02 O ATOM 1044 CB ASN A 72 13.919 -2.885 -3.590 1.00 1.54 C ATOM 1045 CG ASN A 72 13.357 -1.501 -3.901 1.00 1.98 C ATOM 1046 OD1 ASN A 72 13.219 -0.655 -3.027 1.00 2.31 O ATOM 1047 ND2 ASN A 72 13.083 -1.214 -5.168 1.00 3.05 N ATOM 0 H ASN A 72 14.271 -2.817 -0.999 1.00 1.51 H new ATOM 0 HA ASN A 72 12.089 -3.724 -2.836 1.00 1.13 H new ATOM 0 HB2 ASN A 72 14.952 -2.779 -3.259 1.00 1.54 H new ATOM 0 HB3 ASN A 72 13.937 -3.472 -4.508 1.00 1.54 H new ATOM 0 HD21 ASN A 72 12.754 -0.282 -5.420 1.00 3.05 H new ATOM 0 HD22 ASN A 72 13.201 -1.926 -5.889 1.00 3.05 H new ATOM 1054 N PHE A 73 12.980 -6.136 -2.381 1.00 0.90 N ATOM 1055 CA PHE A 73 13.561 -7.482 -2.270 1.00 0.88 C ATOM 1056 C PHE A 73 14.646 -7.697 -3.334 1.00 0.92 C ATOM 1057 O PHE A 73 15.527 -8.533 -3.169 1.00 1.05 O ATOM 1058 CB PHE A 73 12.463 -8.559 -2.286 1.00 0.91 C ATOM 1059 CG PHE A 73 12.919 -10.000 -2.147 1.00 1.62 C ATOM 1060 CD1 PHE A 73 12.748 -10.687 -0.932 1.00 2.44 C ATOM 1061 CD2 PHE A 73 13.434 -10.685 -3.264 1.00 2.95 C ATOM 1062 CE1 PHE A 73 13.091 -12.046 -0.843 1.00 3.53 C ATOM 1063 CE2 PHE A 73 13.799 -12.039 -3.164 1.00 4.00 C ATOM 1064 CZ PHE A 73 13.620 -12.724 -1.952 1.00 4.06 C ATOM 0 H PHE A 73 11.968 -6.123 -2.509 1.00 0.90 H new ATOM 0 HA PHE A 73 14.059 -7.575 -1.305 1.00 0.88 H new ATOM 0 HB2 PHE A 73 11.764 -8.344 -1.478 1.00 0.91 H new ATOM 0 HB3 PHE A 73 11.909 -8.466 -3.220 1.00 0.91 H new ATOM 0 HD1 PHE A 73 12.354 -10.171 -0.069 1.00 2.44 H new ATOM 0 HD2 PHE A 73 13.549 -10.167 -4.204 1.00 2.95 H new ATOM 0 HE1 PHE A 73 12.946 -12.574 0.088 1.00 3.53 H new ATOM 0 HE2 PHE A 73 14.216 -12.551 -4.018 1.00 4.00 H new ATOM 0 HZ PHE A 73 13.888 -13.767 -1.873 1.00 4.06 H new ATOM 1074 N ASN A 74 14.675 -6.869 -4.379 1.00 0.90 N ATOM 1075 CA ASN A 74 15.750 -6.859 -5.360 1.00 1.00 C ATOM 1076 C ASN A 74 17.132 -6.798 -4.679 1.00 1.16 C ATOM 1077 O ASN A 74 18.086 -7.424 -5.131 1.00 1.42 O ATOM 1078 CB ASN A 74 15.503 -5.692 -6.331 1.00 0.97 C ATOM 1079 CG ASN A 74 16.389 -5.726 -7.573 1.00 1.35 C ATOM 1080 OD1 ASN A 74 17.609 -5.736 -7.496 1.00 1.96 O ATOM 1081 ND2 ASN A 74 15.808 -5.632 -8.760 1.00 2.14 N ATOM 0 H ASN A 74 13.944 -6.182 -4.566 1.00 0.90 H new ATOM 0 HA ASN A 74 15.753 -7.789 -5.929 1.00 1.00 H new ATOM 0 HB2 ASN A 74 14.458 -5.705 -6.641 1.00 0.97 H new ATOM 0 HB3 ASN A 74 15.668 -4.752 -5.804 1.00 0.97 H new ATOM 0 HD21 ASN A 74 16.378 -5.568 -9.603 1.00 2.14 H new ATOM 0 HD22 ASN A 74 14.790 -5.623 -8.830 1.00 2.14 H new ATOM 1088 N LYS A 75 17.232 -6.058 -3.568 1.00 1.11 N ATOM 1089 CA LYS A 75 18.401 -5.970 -2.695 1.00 1.26 C ATOM 1090 C LYS A 75 18.038 -6.226 -1.222 1.00 1.18 C ATOM 1091 O LYS A 75 18.749 -5.767 -0.332 1.00 1.25 O ATOM 1092 CB LYS A 75 19.047 -4.582 -2.828 1.00 1.41 C ATOM 1093 CG LYS A 75 19.868 -4.393 -4.107 1.00 1.56 C ATOM 1094 CD LYS A 75 19.067 -3.830 -5.279 1.00 2.51 C ATOM 1095 CE LYS A 75 20.010 -3.751 -6.484 1.00 2.74 C ATOM 1096 NZ LYS A 75 19.295 -3.438 -7.738 1.00 4.36 N ATOM 0 H LYS A 75 16.460 -5.477 -3.241 1.00 1.11 H new ATOM 0 HA LYS A 75 19.104 -6.743 -3.007 1.00 1.26 H new ATOM 0 HB2 LYS A 75 18.264 -3.824 -2.797 1.00 1.41 H new ATOM 0 HB3 LYS A 75 19.692 -4.409 -1.966 1.00 1.41 H new ATOM 0 HG2 LYS A 75 20.703 -3.725 -3.896 1.00 1.56 H new ATOM 0 HG3 LYS A 75 20.294 -5.353 -4.399 1.00 1.56 H new ATOM 0 HD2 LYS A 75 18.213 -4.469 -5.502 1.00 2.51 H new ATOM 0 HD3 LYS A 75 18.672 -2.844 -5.035 1.00 2.51 H new ATOM 0 HE2 LYS A 75 20.767 -2.989 -6.300 1.00 2.74 H new ATOM 0 HE3 LYS A 75 20.534 -4.700 -6.595 1.00 2.74 H new ATOM 0 HZ1 LYS A 75 19.970 -3.429 -8.529 1.00 4.36 H new ATOM 0 HZ2 LYS A 75 18.567 -4.160 -7.912 1.00 4.36 H new ATOM 0 HZ3 LYS A 75 18.844 -2.504 -7.657 1.00 4.36 H new ATOM 1110 N VAL A 76 16.970 -6.966 -0.931 1.00 1.09 N ATOM 1111 CA VAL A 76 16.602 -7.296 0.445 1.00 1.10 C ATOM 1112 C VAL A 76 16.263 -8.782 0.536 1.00 1.13 C ATOM 1113 O VAL A 76 15.646 -9.332 -0.369 1.00 1.22 O ATOM 1114 CB VAL A 76 15.485 -6.349 0.940 1.00 1.09 C ATOM 1115 CG1 VAL A 76 14.299 -7.057 1.600 1.00 0.98 C ATOM 1116 CG2 VAL A 76 16.101 -5.360 1.922 1.00 1.18 C ATOM 0 H VAL A 76 16.340 -7.351 -1.635 1.00 1.09 H new ATOM 0 HA VAL A 76 17.439 -7.133 1.123 1.00 1.10 H new ATOM 0 HB VAL A 76 15.075 -5.853 0.060 1.00 1.09 H new ATOM 0 HG11 VAL A 76 13.564 -6.317 1.917 1.00 0.98 H new ATOM 0 HG12 VAL A 76 13.841 -7.741 0.886 1.00 0.98 H new ATOM 0 HG13 VAL A 76 14.647 -7.617 2.468 1.00 0.98 H new ATOM 0 HG21 VAL A 76 15.330 -4.680 2.285 1.00 1.18 H new ATOM 0 HG22 VAL A 76 16.532 -5.903 2.763 1.00 1.18 H new ATOM 0 HG23 VAL A 76 16.882 -4.788 1.421 1.00 1.18 H new ATOM 1126 N SER A 77 16.684 -9.449 1.614 1.00 1.10 N ATOM 1127 CA SER A 77 16.415 -10.865 1.796 1.00 1.15 C ATOM 1128 C SER A 77 15.021 -11.053 2.372 1.00 1.01 C ATOM 1129 O SER A 77 14.498 -10.157 3.027 1.00 0.88 O ATOM 1130 CB SER A 77 17.458 -11.452 2.747 1.00 1.20 C ATOM 1131 OG SER A 77 18.736 -11.359 2.156 1.00 1.67 O ATOM 0 H SER A 77 17.215 -9.022 2.373 1.00 1.10 H new ATOM 0 HA SER A 77 16.469 -11.377 0.835 1.00 1.15 H new ATOM 0 HB2 SER A 77 17.444 -10.915 3.696 1.00 1.20 H new ATOM 0 HB3 SER A 77 17.221 -12.493 2.966 1.00 1.20 H new ATOM 0 HG SER A 77 19.406 -11.733 2.765 1.00 1.67 H new ATOM 1137 N GLU A 78 14.452 -12.248 2.212 1.00 1.08 N ATOM 1138 CA GLU A 78 13.123 -12.592 2.702 1.00 1.07 C ATOM 1139 C GLU A 78 13.000 -12.372 4.200 1.00 0.92 C ATOM 1140 O GLU A 78 11.915 -12.122 4.697 1.00 0.90 O ATOM 1141 CB GLU A 78 12.820 -14.061 2.388 1.00 1.24 C ATOM 1142 CG GLU A 78 11.364 -14.212 1.942 1.00 2.04 C ATOM 1143 CD GLU A 78 10.927 -15.677 1.967 1.00 2.47 C ATOM 1144 OE1 GLU A 78 11.172 -16.364 0.950 1.00 2.67 O ATOM 1145 OE2 GLU A 78 10.385 -16.098 3.012 1.00 3.59 O ATOM 0 H GLU A 78 14.914 -13.018 1.728 1.00 1.08 H new ATOM 0 HA GLU A 78 12.408 -11.940 2.200 1.00 1.07 H new ATOM 0 HB2 GLU A 78 13.488 -14.419 1.604 1.00 1.24 H new ATOM 0 HB3 GLU A 78 13.004 -14.675 3.269 1.00 1.24 H new ATOM 0 HG2 GLU A 78 10.718 -13.626 2.596 1.00 2.04 H new ATOM 0 HG3 GLU A 78 11.246 -13.812 0.935 1.00 2.04 H new ATOM 1152 N VAL A 79 14.106 -12.473 4.931 1.00 0.86 N ATOM 1153 CA VAL A 79 14.084 -12.286 6.374 1.00 0.78 C ATOM 1154 C VAL A 79 13.716 -10.843 6.688 1.00 0.72 C ATOM 1155 O VAL A 79 12.956 -10.571 7.616 1.00 0.71 O ATOM 1156 CB VAL A 79 15.453 -12.659 6.969 1.00 0.82 C ATOM 1157 CG1 VAL A 79 15.531 -12.363 8.470 1.00 0.88 C ATOM 1158 CG2 VAL A 79 15.723 -14.152 6.756 1.00 0.86 C ATOM 0 H VAL A 79 15.027 -12.683 4.546 1.00 0.86 H new ATOM 0 HA VAL A 79 13.335 -12.938 6.824 1.00 0.78 H new ATOM 0 HB VAL A 79 16.200 -12.052 6.457 1.00 0.82 H new ATOM 0 HG11 VAL A 79 16.515 -12.643 8.845 1.00 0.88 H new ATOM 0 HG12 VAL A 79 15.367 -11.299 8.640 1.00 0.88 H new ATOM 0 HG13 VAL A 79 14.767 -12.937 8.994 1.00 0.88 H new ATOM 0 HG21 VAL A 79 16.694 -14.410 7.179 1.00 0.86 H new ATOM 0 HG22 VAL A 79 14.945 -14.736 7.248 1.00 0.86 H new ATOM 0 HG23 VAL A 79 15.722 -14.373 5.689 1.00 0.86 H new ATOM 1168 N GLU A 80 14.289 -9.906 5.938 1.00 0.76 N ATOM 1169 CA GLU A 80 14.055 -8.502 6.198 1.00 0.74 C ATOM 1170 C GLU A 80 12.735 -8.088 5.578 1.00 0.70 C ATOM 1171 O GLU A 80 11.997 -7.337 6.195 1.00 0.67 O ATOM 1172 CB GLU A 80 15.253 -7.695 5.700 1.00 0.85 C ATOM 1173 CG GLU A 80 15.075 -6.199 5.982 1.00 1.14 C ATOM 1174 CD GLU A 80 16.428 -5.491 6.071 1.00 2.16 C ATOM 1175 OE1 GLU A 80 17.182 -5.572 5.077 1.00 3.63 O ATOM 1176 OE2 GLU A 80 16.699 -4.900 7.139 1.00 2.43 O ATOM 0 H GLU A 80 14.912 -10.098 5.154 1.00 0.76 H new ATOM 0 HA GLU A 80 13.967 -8.305 7.266 1.00 0.74 H new ATOM 0 HB2 GLU A 80 16.161 -8.053 6.185 1.00 0.85 H new ATOM 0 HB3 GLU A 80 15.380 -7.852 4.629 1.00 0.85 H new ATOM 0 HG2 GLU A 80 14.475 -5.746 5.193 1.00 1.14 H new ATOM 0 HG3 GLU A 80 14.528 -6.064 6.915 1.00 1.14 H new ATOM 1183 N GLY A 81 12.383 -8.610 4.405 1.00 0.75 N ATOM 1184 CA GLY A 81 11.101 -8.304 3.803 1.00 0.78 C ATOM 1185 C GLY A 81 9.937 -8.957 4.529 1.00 0.72 C ATOM 1186 O GLY A 81 8.828 -8.457 4.431 1.00 0.74 O ATOM 0 H GLY A 81 12.969 -9.243 3.860 1.00 0.75 H new ATOM 0 HA2 GLY A 81 10.958 -7.224 3.795 1.00 0.78 H new ATOM 0 HA3 GLY A 81 11.105 -8.633 2.764 1.00 0.78 H new ATOM 1190 N ASP A 82 10.151 -10.047 5.260 1.00 0.72 N ATOM 1191 CA ASP A 82 9.121 -10.637 6.106 1.00 0.73 C ATOM 1192 C ASP A 82 8.748 -9.615 7.162 1.00 0.67 C ATOM 1193 O ASP A 82 7.595 -9.202 7.284 1.00 0.66 O ATOM 1194 CB ASP A 82 9.658 -11.927 6.752 1.00 0.83 C ATOM 1195 CG ASP A 82 8.920 -12.307 8.036 1.00 1.19 C ATOM 1196 OD1 ASP A 82 9.592 -12.317 9.095 1.00 2.73 O ATOM 1197 OD2 ASP A 82 7.705 -12.579 7.945 1.00 1.65 O ATOM 0 H ASP A 82 11.041 -10.544 5.282 1.00 0.72 H new ATOM 0 HA ASP A 82 8.239 -10.899 5.522 1.00 0.73 H new ATOM 0 HB2 ASP A 82 9.576 -12.746 6.037 1.00 0.83 H new ATOM 0 HB3 ASP A 82 10.718 -11.802 6.973 1.00 0.83 H new ATOM 1202 N LYS A 83 9.750 -9.152 7.903 1.00 0.66 N ATOM 1203 CA LYS A 83 9.470 -8.236 8.993 1.00 0.64 C ATOM 1204 C LYS A 83 8.989 -6.915 8.453 1.00 0.57 C ATOM 1205 O LYS A 83 8.050 -6.371 9.006 1.00 0.59 O ATOM 1206 CB LYS A 83 10.673 -8.084 9.917 1.00 0.67 C ATOM 1207 CG LYS A 83 10.688 -9.317 10.831 1.00 0.77 C ATOM 1208 CD LYS A 83 12.047 -10.004 10.935 1.00 1.13 C ATOM 1209 CE LYS A 83 11.756 -11.485 11.185 1.00 2.40 C ATOM 1210 NZ LYS A 83 12.987 -12.268 11.388 1.00 3.60 N ATOM 0 H LYS A 83 10.733 -9.389 7.772 1.00 0.66 H new ATOM 0 HA LYS A 83 8.669 -8.654 9.602 1.00 0.64 H new ATOM 0 HB2 LYS A 83 11.596 -8.018 9.342 1.00 0.67 H new ATOM 0 HB3 LYS A 83 10.597 -7.169 10.504 1.00 0.67 H new ATOM 0 HG2 LYS A 83 10.367 -9.019 11.829 1.00 0.77 H new ATOM 0 HG3 LYS A 83 9.957 -10.037 10.463 1.00 0.77 H new ATOM 0 HD2 LYS A 83 12.623 -9.869 10.019 1.00 1.13 H new ATOM 0 HD3 LYS A 83 12.637 -9.580 11.748 1.00 1.13 H new ATOM 0 HE2 LYS A 83 11.116 -11.585 12.061 1.00 2.40 H new ATOM 0 HE3 LYS A 83 11.204 -11.893 10.338 1.00 2.40 H new ATOM 0 HZ1 LYS A 83 12.763 -13.283 11.351 1.00 3.60 H new ATOM 0 HZ2 LYS A 83 13.673 -12.037 10.641 1.00 3.60 H new ATOM 0 HZ3 LYS A 83 13.396 -12.038 12.316 1.00 3.60 H new ATOM 1224 N GLN A 84 9.564 -6.417 7.362 1.00 0.56 N ATOM 1225 CA GLN A 84 9.115 -5.164 6.787 1.00 0.58 C ATOM 1226 C GLN A 84 7.659 -5.325 6.388 1.00 0.63 C ATOM 1227 O GLN A 84 6.878 -4.407 6.602 1.00 0.64 O ATOM 1228 CB GLN A 84 10.006 -4.704 5.612 1.00 0.76 C ATOM 1229 CG GLN A 84 9.489 -5.006 4.191 1.00 3.17 C ATOM 1230 CD GLN A 84 8.523 -3.971 3.602 1.00 4.40 C ATOM 1231 OE1 GLN A 84 8.352 -3.915 2.392 1.00 5.02 O ATOM 1232 NE2 GLN A 84 7.929 -3.091 4.398 1.00 5.19 N ATOM 0 H GLN A 84 10.336 -6.862 6.865 1.00 0.56 H new ATOM 0 HA GLN A 84 9.201 -4.369 7.528 1.00 0.58 H new ATOM 0 HB2 GLN A 84 10.154 -3.628 5.699 1.00 0.76 H new ATOM 0 HB3 GLN A 84 10.985 -5.171 5.724 1.00 0.76 H new ATOM 0 HG2 GLN A 84 10.346 -5.097 3.524 1.00 3.17 H new ATOM 0 HG3 GLN A 84 8.991 -5.975 4.204 1.00 3.17 H new ATOM 0 HE21 GLN A 84 8.072 -3.138 5.407 1.00 5.19 H new ATOM 0 HE22 GLN A 84 7.330 -2.368 4.001 1.00 5.19 H new ATOM 1241 N LEU A 85 7.289 -6.453 5.781 1.00 0.69 N ATOM 1242 CA LEU A 85 5.945 -6.610 5.260 1.00 0.73 C ATOM 1243 C LEU A 85 4.982 -6.615 6.432 1.00 0.70 C ATOM 1244 O LEU A 85 3.925 -5.998 6.355 1.00 0.72 O ATOM 1245 CB LEU A 85 5.864 -7.880 4.397 1.00 0.80 C ATOM 1246 CG LEU A 85 4.534 -8.102 3.661 1.00 0.87 C ATOM 1247 CD1 LEU A 85 4.153 -6.864 2.844 1.00 1.06 C ATOM 1248 CD2 LEU A 85 4.691 -9.284 2.701 1.00 1.04 C ATOM 0 H LEU A 85 7.899 -7.259 5.642 1.00 0.69 H new ATOM 0 HA LEU A 85 5.670 -5.783 4.605 1.00 0.73 H new ATOM 0 HB2 LEU A 85 6.665 -7.847 3.659 1.00 0.80 H new ATOM 0 HB3 LEU A 85 6.053 -8.743 5.035 1.00 0.80 H new ATOM 0 HG LEU A 85 3.755 -8.298 4.398 1.00 0.87 H new ATOM 0 HD11 LEU A 85 3.208 -7.043 2.331 1.00 1.06 H new ATOM 0 HD12 LEU A 85 4.048 -6.007 3.509 1.00 1.06 H new ATOM 0 HD13 LEU A 85 4.932 -6.659 2.109 1.00 1.06 H new ATOM 0 HD21 LEU A 85 3.752 -9.451 2.173 1.00 1.04 H new ATOM 0 HD22 LEU A 85 5.479 -9.065 1.980 1.00 1.04 H new ATOM 0 HD23 LEU A 85 4.954 -10.179 3.265 1.00 1.04 H new ATOM 1260 N ALA A 86 5.369 -7.244 7.543 1.00 0.66 N ATOM 1261 CA ALA A 86 4.520 -7.290 8.719 1.00 0.67 C ATOM 1262 C ALA A 86 4.546 -5.975 9.483 1.00 0.60 C ATOM 1263 O ALA A 86 3.603 -5.686 10.200 1.00 0.62 O ATOM 1264 CB ALA A 86 4.980 -8.431 9.627 1.00 0.70 C ATOM 0 H ALA A 86 6.263 -7.725 7.646 1.00 0.66 H new ATOM 0 HA ALA A 86 3.494 -7.461 8.394 1.00 0.67 H new ATOM 0 HB1 ALA A 86 4.345 -8.470 10.512 1.00 0.70 H new ATOM 0 HB2 ALA A 86 4.910 -9.376 9.088 1.00 0.70 H new ATOM 0 HB3 ALA A 86 6.014 -8.262 9.929 1.00 0.70 H new ATOM 1270 N GLU A 87 5.600 -5.175 9.353 1.00 0.55 N ATOM 1271 CA GLU A 87 5.763 -3.888 10.009 1.00 0.49 C ATOM 1272 C GLU A 87 4.912 -2.847 9.301 1.00 0.50 C ATOM 1273 O GLU A 87 4.271 -2.008 9.934 1.00 0.49 O ATOM 1274 CB GLU A 87 7.238 -3.474 9.963 1.00 0.44 C ATOM 1275 CG GLU A 87 7.991 -3.956 11.201 1.00 0.57 C ATOM 1276 CD GLU A 87 9.229 -3.091 11.428 1.00 0.87 C ATOM 1277 OE1 GLU A 87 9.221 -2.330 12.422 1.00 2.13 O ATOM 1278 OE2 GLU A 87 10.144 -3.167 10.579 1.00 1.92 O ATOM 0 H GLU A 87 6.395 -5.419 8.762 1.00 0.55 H new ATOM 0 HA GLU A 87 5.444 -3.965 11.049 1.00 0.49 H new ATOM 0 HB2 GLU A 87 7.705 -3.885 9.068 1.00 0.44 H new ATOM 0 HB3 GLU A 87 7.311 -2.389 9.891 1.00 0.44 H new ATOM 0 HG2 GLU A 87 7.340 -3.910 12.074 1.00 0.57 H new ATOM 0 HG3 GLU A 87 8.283 -4.999 11.076 1.00 0.57 H new ATOM 1285 N ALA A 88 4.876 -2.922 7.973 1.00 0.52 N ATOM 1286 CA ALA A 88 4.042 -2.052 7.173 1.00 0.52 C ATOM 1287 C ALA A 88 2.600 -2.411 7.495 1.00 0.53 C ATOM 1288 O ALA A 88 1.800 -1.559 7.869 1.00 0.53 O ATOM 1289 CB ALA A 88 4.363 -2.239 5.687 1.00 0.54 C ATOM 0 H ALA A 88 5.425 -3.588 7.430 1.00 0.52 H new ATOM 0 HA ALA A 88 4.220 -1.000 7.398 1.00 0.52 H new ATOM 0 HB1 ALA A 88 3.730 -1.580 5.092 1.00 0.54 H new ATOM 0 HB2 ALA A 88 5.410 -1.996 5.508 1.00 0.54 H new ATOM 0 HB3 ALA A 88 4.177 -3.275 5.402 1.00 0.54 H new ATOM 1295 N TYR A 89 2.280 -3.696 7.385 1.00 0.54 N ATOM 1296 CA TYR A 89 0.969 -4.236 7.658 1.00 0.57 C ATOM 1297 C TYR A 89 0.569 -4.067 9.127 1.00 0.56 C ATOM 1298 O TYR A 89 -0.618 -3.972 9.394 1.00 0.58 O ATOM 1299 CB TYR A 89 0.953 -5.688 7.166 1.00 0.59 C ATOM 1300 CG TYR A 89 0.920 -5.870 5.646 1.00 0.60 C ATOM 1301 CD1 TYR A 89 0.879 -7.171 5.108 1.00 1.81 C ATOM 1302 CD2 TYR A 89 0.932 -4.766 4.761 1.00 2.11 C ATOM 1303 CE1 TYR A 89 0.846 -7.366 3.714 1.00 1.83 C ATOM 1304 CE2 TYR A 89 0.889 -4.955 3.369 1.00 2.13 C ATOM 1305 CZ TYR A 89 0.842 -6.261 2.838 1.00 0.69 C ATOM 1306 OH TYR A 89 0.803 -6.463 1.489 1.00 0.74 O ATOM 0 H TYR A 89 2.952 -4.406 7.094 1.00 0.54 H new ATOM 0 HA TYR A 89 0.203 -3.679 7.118 1.00 0.57 H new ATOM 0 HB2 TYR A 89 1.836 -6.195 7.556 1.00 0.59 H new ATOM 0 HB3 TYR A 89 0.084 -6.188 7.593 1.00 0.59 H new ATOM 0 HD1 TYR A 89 0.873 -8.025 5.769 1.00 1.81 H new ATOM 0 HD2 TYR A 89 0.975 -3.764 5.161 1.00 2.11 H new ATOM 0 HE1 TYR A 89 0.824 -8.369 3.313 1.00 1.83 H new ATOM 0 HE2 TYR A 89 0.892 -4.102 2.707 1.00 2.13 H new ATOM 0 HH TYR A 89 0.805 -5.598 1.029 1.00 0.74 H new ATOM 1316 N GLU A 90 1.500 -3.952 10.075 1.00 0.58 N ATOM 1317 CA GLU A 90 1.200 -3.618 11.465 1.00 0.64 C ATOM 1318 C GLU A 90 0.873 -2.149 11.579 1.00 0.59 C ATOM 1319 O GLU A 90 -0.078 -1.775 12.251 1.00 0.62 O ATOM 1320 CB GLU A 90 2.392 -3.913 12.389 1.00 0.78 C ATOM 1321 CG GLU A 90 2.232 -5.288 13.031 1.00 1.28 C ATOM 1322 CD GLU A 90 1.490 -5.166 14.371 1.00 2.19 C ATOM 1323 OE1 GLU A 90 0.254 -4.982 14.332 1.00 3.90 O ATOM 1324 OE2 GLU A 90 2.147 -5.153 15.441 1.00 2.08 O ATOM 0 H GLU A 90 2.495 -4.090 9.896 1.00 0.58 H new ATOM 0 HA GLU A 90 0.352 -4.231 11.770 1.00 0.64 H new ATOM 0 HB2 GLU A 90 3.321 -3.875 11.820 1.00 0.78 H new ATOM 0 HB3 GLU A 90 2.460 -3.148 13.162 1.00 0.78 H new ATOM 0 HG2 GLU A 90 1.681 -5.948 12.361 1.00 1.28 H new ATOM 0 HG3 GLU A 90 3.211 -5.740 13.189 1.00 1.28 H new ATOM 1331 N SER A 91 1.649 -1.290 10.928 1.00 0.56 N ATOM 1332 CA SER A 91 1.361 0.127 10.982 1.00 0.57 C ATOM 1333 C SER A 91 -0.026 0.355 10.410 1.00 0.54 C ATOM 1334 O SER A 91 -0.806 1.128 10.954 1.00 0.57 O ATOM 1335 CB SER A 91 2.404 0.933 10.201 1.00 0.62 C ATOM 1336 OG SER A 91 3.710 0.782 10.723 1.00 0.79 O ATOM 0 H SER A 91 2.463 -1.547 10.370 1.00 0.56 H new ATOM 0 HA SER A 91 1.399 0.466 12.017 1.00 0.57 H new ATOM 0 HB2 SER A 91 2.395 0.618 9.158 1.00 0.62 H new ATOM 0 HB3 SER A 91 2.130 1.988 10.218 1.00 0.62 H new ATOM 0 HG SER A 91 4.036 -0.123 10.533 1.00 0.79 H new ATOM 1342 N ILE A 92 -0.358 -0.336 9.323 1.00 0.51 N ATOM 1343 CA ILE A 92 -1.610 -0.102 8.644 1.00 0.52 C ATOM 1344 C ILE A 92 -2.736 -0.766 9.427 1.00 0.50 C ATOM 1345 O ILE A 92 -3.792 -0.172 9.581 1.00 0.50 O ATOM 1346 CB ILE A 92 -1.481 -0.552 7.177 1.00 0.56 C ATOM 1347 CG1 ILE A 92 -1.033 0.637 6.304 1.00 0.62 C ATOM 1348 CG2 ILE A 92 -2.783 -1.126 6.622 1.00 0.60 C ATOM 1349 CD1 ILE A 92 0.452 0.575 5.944 1.00 0.70 C ATOM 0 H ILE A 92 0.226 -1.058 8.902 1.00 0.51 H new ATOM 0 HA ILE A 92 -1.863 0.958 8.606 1.00 0.52 H new ATOM 0 HB ILE A 92 -0.735 -1.346 7.150 1.00 0.56 H new ATOM 0 HG12 ILE A 92 -1.625 0.654 5.389 1.00 0.62 H new ATOM 0 HG13 ILE A 92 -1.236 1.568 6.833 1.00 0.62 H new ATOM 0 HG21 ILE A 92 -2.635 -1.427 5.585 1.00 0.60 H new ATOM 0 HG22 ILE A 92 -3.080 -1.993 7.213 1.00 0.60 H new ATOM 0 HG23 ILE A 92 -3.565 -0.368 6.672 1.00 0.60 H new ATOM 0 HD11 ILE A 92 0.713 1.436 5.329 1.00 0.70 H new ATOM 0 HD12 ILE A 92 1.048 0.586 6.856 1.00 0.70 H new ATOM 0 HD13 ILE A 92 0.654 -0.342 5.390 1.00 0.70 H new ATOM 1361 N ALA A 93 -2.530 -1.975 9.940 1.00 0.52 N ATOM 1362 CA ALA A 93 -3.583 -2.717 10.621 1.00 0.57 C ATOM 1363 C ALA A 93 -3.946 -2.002 11.916 1.00 0.58 C ATOM 1364 O ALA A 93 -5.119 -1.781 12.212 1.00 0.59 O ATOM 1365 CB ALA A 93 -3.151 -4.162 10.890 1.00 0.66 C ATOM 0 H ALA A 93 -1.636 -2.464 9.896 1.00 0.52 H new ATOM 0 HA ALA A 93 -4.463 -2.758 9.980 1.00 0.57 H new ATOM 0 HB1 ALA A 93 -3.955 -4.693 11.399 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -2.930 -4.658 9.945 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -2.260 -4.164 11.518 1.00 0.66 H new ATOM 1371 N LYS A 94 -2.940 -1.592 12.689 1.00 0.60 N ATOM 1372 CA LYS A 94 -3.211 -0.822 13.885 1.00 0.65 C ATOM 1373 C LYS A 94 -3.863 0.495 13.499 1.00 0.61 C ATOM 1374 O LYS A 94 -4.833 0.862 14.141 1.00 0.66 O ATOM 1375 CB LYS A 94 -1.961 -0.642 14.752 1.00 0.72 C ATOM 1376 CG LYS A 94 -1.476 -2.014 15.237 1.00 1.14 C ATOM 1377 CD LYS A 94 -0.575 -1.904 16.468 1.00 1.70 C ATOM 1378 CE LYS A 94 0.100 -3.264 16.649 1.00 2.59 C ATOM 1379 NZ LYS A 94 0.864 -3.377 17.903 1.00 3.51 N ATOM 0 H LYS A 94 -1.954 -1.779 12.508 1.00 0.60 H new ATOM 0 HA LYS A 94 -3.911 -1.374 14.512 1.00 0.65 H new ATOM 0 HB2 LYS A 94 -1.176 -0.148 14.180 1.00 0.72 H new ATOM 0 HB3 LYS A 94 -2.185 -0.001 15.605 1.00 0.72 H new ATOM 0 HG2 LYS A 94 -2.337 -2.640 15.473 1.00 1.14 H new ATOM 0 HG3 LYS A 94 -0.932 -2.511 14.433 1.00 1.14 H new ATOM 0 HD2 LYS A 94 0.169 -1.119 16.333 1.00 1.70 H new ATOM 0 HD3 LYS A 94 -1.158 -1.642 17.351 1.00 1.70 H new ATOM 0 HE2 LYS A 94 -0.660 -4.045 16.624 1.00 2.59 H new ATOM 0 HE3 LYS A 94 0.769 -3.444 15.807 1.00 2.59 H new ATOM 0 HZ1 LYS A 94 1.295 -4.322 17.963 1.00 3.51 H new ATOM 0 HZ2 LYS A 94 1.611 -2.654 17.921 1.00 3.51 H new ATOM 0 HZ3 LYS A 94 0.226 -3.236 18.712 1.00 3.51 H new ATOM 1393 N ILE A 95 -3.418 1.173 12.435 1.00 0.56 N ATOM 1394 CA ILE A 95 -4.057 2.424 12.009 1.00 0.55 C ATOM 1395 C ILE A 95 -5.522 2.186 11.634 1.00 0.52 C ATOM 1396 O ILE A 95 -6.374 3.039 11.867 1.00 0.53 O ATOM 1397 CB ILE A 95 -3.250 3.084 10.871 1.00 0.53 C ATOM 1398 CG1 ILE A 95 -2.033 3.801 11.492 1.00 0.74 C ATOM 1399 CG2 ILE A 95 -4.073 4.093 10.054 1.00 0.90 C ATOM 1400 CD1 ILE A 95 -0.993 4.242 10.455 1.00 0.70 C ATOM 0 H ILE A 95 -2.628 0.882 11.859 1.00 0.56 H new ATOM 0 HA ILE A 95 -4.058 3.124 12.844 1.00 0.55 H new ATOM 0 HB ILE A 95 -2.944 2.298 10.181 1.00 0.53 H new ATOM 0 HG12 ILE A 95 -2.378 4.675 12.044 1.00 0.74 H new ATOM 0 HG13 ILE A 95 -1.557 3.136 12.213 1.00 0.74 H new ATOM 0 HG21 ILE A 95 -3.449 4.522 9.270 1.00 0.90 H new ATOM 0 HG22 ILE A 95 -4.926 3.586 9.602 1.00 0.90 H new ATOM 0 HG23 ILE A 95 -4.429 4.888 10.710 1.00 0.90 H new ATOM 0 HD11 ILE A 95 -0.164 4.739 10.959 1.00 0.70 H new ATOM 0 HD12 ILE A 95 -0.620 3.369 9.919 1.00 0.70 H new ATOM 0 HD13 ILE A 95 -1.454 4.932 9.748 1.00 0.70 H new ATOM 1412 N VAL A 96 -5.833 1.034 11.050 1.00 0.51 N ATOM 1413 CA VAL A 96 -7.169 0.688 10.606 1.00 0.51 C ATOM 1414 C VAL A 96 -8.077 0.577 11.818 1.00 0.57 C ATOM 1415 O VAL A 96 -9.221 1.012 11.766 1.00 0.57 O ATOM 1416 CB VAL A 96 -7.107 -0.592 9.747 1.00 0.55 C ATOM 1417 CG1 VAL A 96 -8.439 -1.343 9.635 1.00 0.68 C ATOM 1418 CG2 VAL A 96 -6.663 -0.233 8.325 1.00 0.55 C ATOM 0 H VAL A 96 -5.145 0.302 10.870 1.00 0.51 H new ATOM 0 HA VAL A 96 -7.593 1.463 9.967 1.00 0.51 H new ATOM 0 HB VAL A 96 -6.400 -1.248 10.254 1.00 0.55 H new ATOM 0 HG11 VAL A 96 -8.306 -2.229 9.014 1.00 0.68 H new ATOM 0 HG12 VAL A 96 -8.773 -1.642 10.629 1.00 0.68 H new ATOM 0 HG13 VAL A 96 -9.187 -0.692 9.182 1.00 0.68 H new ATOM 0 HG21 VAL A 96 -6.619 -1.137 7.718 1.00 0.55 H new ATOM 0 HG22 VAL A 96 -7.377 0.464 7.886 1.00 0.55 H new ATOM 0 HG23 VAL A 96 -5.677 0.230 8.358 1.00 0.55 H new ATOM 1428 N ASN A 97 -7.579 0.047 12.930 1.00 0.66 N ATOM 1429 CA ASN A 97 -8.413 -0.059 14.117 1.00 0.83 C ATOM 1430 C ASN A 97 -8.463 1.278 14.838 1.00 0.86 C ATOM 1431 O ASN A 97 -9.510 1.661 15.348 1.00 0.97 O ATOM 1432 CB ASN A 97 -7.888 -1.143 15.072 1.00 0.97 C ATOM 1433 CG ASN A 97 -8.408 -2.531 14.723 1.00 0.88 C ATOM 1434 OD1 ASN A 97 -9.348 -2.683 13.953 1.00 1.34 O ATOM 1435 ND2 ASN A 97 -7.827 -3.570 15.308 1.00 1.20 N ATOM 0 H ASN A 97 -6.628 -0.307 13.033 1.00 0.66 H new ATOM 0 HA ASN A 97 -9.417 -0.341 13.799 1.00 0.83 H new ATOM 0 HB2 ASN A 97 -6.798 -1.150 15.045 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -8.180 -0.895 16.093 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -8.162 -4.515 15.119 1.00 1.20 H new ATOM 0 HD22 ASN A 97 -7.045 -3.424 15.947 1.00 1.20 H new ATOM 1442 N ASP A 98 -7.343 1.998 14.863 1.00 0.79 N ATOM 1443 CA ASP A 98 -7.201 3.263 15.582 1.00 0.86 C ATOM 1444 C ASP A 98 -8.196 4.261 15.012 1.00 0.85 C ATOM 1445 O ASP A 98 -8.784 5.068 15.730 1.00 0.98 O ATOM 1446 CB ASP A 98 -5.772 3.820 15.440 1.00 0.87 C ATOM 1447 CG ASP A 98 -4.947 3.719 16.723 1.00 1.15 C ATOM 1448 OD1 ASP A 98 -4.034 4.560 16.871 1.00 2.03 O ATOM 1449 OD2 ASP A 98 -5.225 2.805 17.530 1.00 2.30 O ATOM 0 H ASP A 98 -6.493 1.714 14.375 1.00 0.79 H new ATOM 0 HA ASP A 98 -7.395 3.094 16.641 1.00 0.86 H new ATOM 0 HB2 ASP A 98 -5.258 3.281 14.644 1.00 0.87 H new ATOM 0 HB3 ASP A 98 -5.827 4.865 15.134 1.00 0.87 H new ATOM 1454 N ASN A 99 -8.378 4.200 13.695 1.00 0.73 N ATOM 1455 CA ASN A 99 -9.272 5.096 12.981 1.00 0.74 C ATOM 1456 C ASN A 99 -10.606 4.431 12.649 1.00 0.79 C ATOM 1457 O ASN A 99 -11.499 5.076 12.102 1.00 0.85 O ATOM 1458 CB ASN A 99 -8.579 5.545 11.703 1.00 0.69 C ATOM 1459 CG ASN A 99 -8.795 7.028 11.440 1.00 0.98 C ATOM 1460 OD1 ASN A 99 -7.842 7.766 11.216 1.00 0.94 O ATOM 1461 ND2 ASN A 99 -10.037 7.489 11.431 1.00 2.46 N ATOM 0 H ASN A 99 -7.906 3.524 13.095 1.00 0.73 H new ATOM 0 HA ASN A 99 -9.494 5.951 13.620 1.00 0.74 H new ATOM 0 HB2 ASN A 99 -7.511 5.340 11.776 1.00 0.69 H new ATOM 0 HB3 ASN A 99 -8.958 4.967 10.860 1.00 0.69 H new ATOM 0 HD21 ASN A 99 -10.214 8.474 11.235 1.00 2.46 H new ATOM 0 HD22 ASN A 99 -10.816 6.859 11.620 1.00 2.46 H new ATOM 1468 N ASN A 100 -10.726 3.143 12.969 1.00 0.81 N ATOM 1469 CA ASN A 100 -11.895 2.297 12.779 1.00 0.85 C ATOM 1470 C ASN A 100 -12.392 2.313 11.339 1.00 0.79 C ATOM 1471 O ASN A 100 -13.580 2.480 11.055 1.00 0.86 O ATOM 1472 CB ASN A 100 -12.982 2.703 13.771 1.00 1.00 C ATOM 1473 CG ASN A 100 -13.983 1.575 13.982 1.00 1.23 C ATOM 1474 OD1 ASN A 100 -13.752 0.436 13.599 1.00 1.42 O ATOM 1475 ND2 ASN A 100 -15.105 1.862 14.626 1.00 2.40 N ATOM 0 H ASN A 100 -9.954 2.632 13.397 1.00 0.81 H new ATOM 0 HA ASN A 100 -11.612 1.263 12.978 1.00 0.85 H new ATOM 0 HB2 ASN A 100 -12.526 2.972 14.724 1.00 1.00 H new ATOM 0 HB3 ASN A 100 -13.500 3.589 13.404 1.00 1.00 H new ATOM 0 HD21 ASN A 100 -15.790 1.129 14.809 1.00 2.40 H new ATOM 0 HD22 ASN A 100 -15.284 2.816 14.939 1.00 2.40 H new ATOM 1482 N TYR A 101 -11.464 2.159 10.404 1.00 0.69 N ATOM 1483 CA TYR A 101 -11.816 2.165 9.003 1.00 0.70 C ATOM 1484 C TYR A 101 -12.522 0.875 8.608 1.00 0.87 C ATOM 1485 O TYR A 101 -11.907 -0.182 8.518 1.00 1.32 O ATOM 1486 CB TYR A 101 -10.569 2.369 8.151 1.00 0.76 C ATOM 1487 CG TYR A 101 -9.872 3.699 8.340 1.00 0.63 C ATOM 1488 CD1 TYR A 101 -8.468 3.748 8.375 1.00 1.62 C ATOM 1489 CD2 TYR A 101 -10.615 4.891 8.439 1.00 1.79 C ATOM 1490 CE1 TYR A 101 -7.805 4.981 8.469 1.00 1.61 C ATOM 1491 CE2 TYR A 101 -9.958 6.131 8.450 1.00 2.01 C ATOM 1492 CZ TYR A 101 -8.547 6.184 8.443 1.00 1.08 C ATOM 1493 OH TYR A 101 -7.920 7.394 8.465 1.00 1.46 O ATOM 0 H TYR A 101 -10.470 2.030 10.595 1.00 0.69 H new ATOM 0 HA TYR A 101 -12.505 2.991 8.829 1.00 0.70 H new ATOM 0 HB2 TYR A 101 -9.861 1.571 8.374 1.00 0.76 H new ATOM 0 HB3 TYR A 101 -10.844 2.267 7.101 1.00 0.76 H new ATOM 0 HD1 TYR A 101 -7.897 2.833 8.329 1.00 1.62 H new ATOM 0 HD2 TYR A 101 -11.692 4.851 8.507 1.00 1.79 H new ATOM 0 HE1 TYR A 101 -6.729 5.011 8.561 1.00 1.61 H new ATOM 0 HE2 TYR A 101 -10.532 7.046 8.464 1.00 2.01 H new ATOM 0 HH TYR A 101 -7.665 7.613 9.385 1.00 1.46 H new ATOM 1503 N LYS A 102 -13.803 1.001 8.255 1.00 0.81 N ATOM 1504 CA LYS A 102 -14.614 -0.097 7.760 1.00 1.09 C ATOM 1505 C LYS A 102 -14.088 -0.658 6.446 1.00 0.90 C ATOM 1506 O LYS A 102 -14.239 -1.840 6.173 1.00 1.13 O ATOM 1507 CB LYS A 102 -16.060 0.374 7.574 1.00 1.48 C ATOM 1508 CG LYS A 102 -16.335 1.538 6.603 1.00 3.10 C ATOM 1509 CD LYS A 102 -16.031 2.944 7.150 1.00 3.78 C ATOM 1510 CE LYS A 102 -14.772 3.592 6.548 1.00 4.61 C ATOM 1511 NZ LYS A 102 -14.880 3.812 5.087 1.00 6.84 N ATOM 0 H LYS A 102 -14.308 1.886 8.308 1.00 0.81 H new ATOM 0 HA LYS A 102 -14.568 -0.896 8.500 1.00 1.09 H new ATOM 0 HB2 LYS A 102 -16.647 -0.482 7.240 1.00 1.48 H new ATOM 0 HB3 LYS A 102 -16.444 0.661 8.553 1.00 1.48 H new ATOM 0 HG2 LYS A 102 -15.744 1.383 5.701 1.00 3.10 H new ATOM 0 HG3 LYS A 102 -17.383 1.501 6.307 1.00 3.10 H new ATOM 0 HD2 LYS A 102 -16.887 3.590 6.957 1.00 3.78 H new ATOM 0 HD3 LYS A 102 -15.914 2.884 8.232 1.00 3.78 H new ATOM 0 HE2 LYS A 102 -14.589 4.546 7.042 1.00 4.61 H new ATOM 0 HE3 LYS A 102 -13.910 2.957 6.752 1.00 4.61 H new ATOM 0 HZ1 LYS A 102 -14.166 4.506 4.787 1.00 6.84 H new ATOM 0 HZ2 LYS A 102 -14.721 2.914 4.588 1.00 6.84 H new ATOM 0 HZ3 LYS A 102 -15.829 4.171 4.859 1.00 6.84 H new ATOM 1525 N SER A 103 -13.499 0.204 5.631 1.00 0.67 N ATOM 1526 CA SER A 103 -12.881 -0.142 4.366 1.00 0.61 C ATOM 1527 C SER A 103 -11.670 0.760 4.155 1.00 0.58 C ATOM 1528 O SER A 103 -11.680 1.906 4.612 1.00 0.71 O ATOM 1529 CB SER A 103 -13.911 0.033 3.246 1.00 0.89 C ATOM 1530 OG SER A 103 -14.577 1.290 3.321 1.00 1.43 O ATOM 0 H SER A 103 -13.438 1.200 5.843 1.00 0.67 H new ATOM 0 HA SER A 103 -12.547 -1.179 4.363 1.00 0.61 H new ATOM 0 HB2 SER A 103 -13.414 -0.056 2.280 1.00 0.89 H new ATOM 0 HB3 SER A 103 -14.646 -0.770 3.302 1.00 0.89 H new ATOM 0 HG SER A 103 -15.224 1.362 2.588 1.00 1.43 H new ATOM 1536 N VAL A 104 -10.643 0.254 3.466 1.00 0.55 N ATOM 1537 CA VAL A 104 -9.443 0.975 3.099 1.00 0.68 C ATOM 1538 C VAL A 104 -9.003 0.499 1.723 1.00 0.62 C ATOM 1539 O VAL A 104 -9.103 -0.698 1.448 1.00 0.59 O ATOM 1540 CB VAL A 104 -8.333 0.674 4.113 1.00 0.83 C ATOM 1541 CG1 VAL A 104 -8.489 1.551 5.355 1.00 1.91 C ATOM 1542 CG2 VAL A 104 -8.261 -0.793 4.567 1.00 2.26 C ATOM 0 H VAL A 104 -10.635 -0.712 3.139 1.00 0.55 H new ATOM 0 HA VAL A 104 -9.639 2.047 3.088 1.00 0.68 H new ATOM 0 HB VAL A 104 -7.407 0.893 3.582 1.00 0.83 H new ATOM 0 HG11 VAL A 104 -7.693 1.323 6.063 1.00 1.91 H new ATOM 0 HG12 VAL A 104 -8.431 2.601 5.069 1.00 1.91 H new ATOM 0 HG13 VAL A 104 -9.455 1.355 5.820 1.00 1.91 H new ATOM 0 HG21 VAL A 104 -7.448 -0.913 5.283 1.00 2.26 H new ATOM 0 HG22 VAL A 104 -9.203 -1.075 5.037 1.00 2.26 H new ATOM 0 HG23 VAL A 104 -8.081 -1.433 3.703 1.00 2.26 H new ATOM 1552 N ALA A 105 -8.487 1.395 0.874 1.00 0.64 N ATOM 1553 CA ALA A 105 -7.894 0.952 -0.373 1.00 0.62 C ATOM 1554 C ALA A 105 -6.398 0.762 -0.181 1.00 0.61 C ATOM 1555 O ALA A 105 -5.708 1.614 0.373 1.00 0.72 O ATOM 1556 CB ALA A 105 -8.207 1.897 -1.527 1.00 0.63 C ATOM 0 H ALA A 105 -8.471 2.403 1.029 1.00 0.64 H new ATOM 0 HA ALA A 105 -8.336 -0.006 -0.647 1.00 0.62 H new ATOM 0 HB1 ALA A 105 -7.742 1.524 -2.439 1.00 0.63 H new ATOM 0 HB2 ALA A 105 -9.286 1.955 -1.667 1.00 0.63 H new ATOM 0 HB3 ALA A 105 -7.817 2.889 -1.301 1.00 0.63 H new ATOM 1562 N ILE A 106 -5.903 -0.379 -0.646 1.00 0.72 N ATOM 1563 CA ILE A 106 -4.544 -0.832 -0.467 1.00 0.75 C ATOM 1564 C ILE A 106 -4.091 -1.324 -1.846 1.00 0.80 C ATOM 1565 O ILE A 106 -4.740 -2.187 -2.436 1.00 0.98 O ATOM 1566 CB ILE A 106 -4.567 -1.879 0.668 1.00 0.87 C ATOM 1567 CG1 ILE A 106 -3.266 -1.967 1.471 1.00 1.99 C ATOM 1568 CG2 ILE A 106 -5.038 -3.275 0.250 1.00 1.90 C ATOM 1569 CD1 ILE A 106 -2.051 -2.528 0.725 1.00 3.15 C ATOM 0 H ILE A 106 -6.470 -1.037 -1.181 1.00 0.72 H new ATOM 0 HA ILE A 106 -3.820 -0.081 -0.151 1.00 0.75 H new ATOM 0 HB ILE A 106 -5.333 -1.479 1.333 1.00 0.87 H new ATOM 0 HG12 ILE A 106 -3.017 -0.969 1.831 1.00 1.99 H new ATOM 0 HG13 ILE A 106 -3.446 -2.587 2.349 1.00 1.99 H new ATOM 0 HG21 ILE A 106 -5.020 -3.939 1.114 1.00 1.90 H new ATOM 0 HG22 ILE A 106 -6.054 -3.215 -0.140 1.00 1.90 H new ATOM 0 HG23 ILE A 106 -4.376 -3.666 -0.522 1.00 1.90 H new ATOM 0 HD11 ILE A 106 -1.189 -2.543 1.392 1.00 3.15 H new ATOM 0 HD12 ILE A 106 -2.267 -3.542 0.389 1.00 3.15 H new ATOM 0 HD13 ILE A 106 -1.831 -1.899 -0.137 1.00 3.15 H new ATOM 1581 N PRO A 107 -3.052 -0.724 -2.441 1.00 0.76 N ATOM 1582 CA PRO A 107 -2.560 -1.166 -3.731 1.00 0.84 C ATOM 1583 C PRO A 107 -1.764 -2.459 -3.548 1.00 0.88 C ATOM 1584 O PRO A 107 -1.776 -3.080 -2.487 1.00 0.96 O ATOM 1585 CB PRO A 107 -1.715 0.002 -4.244 1.00 0.89 C ATOM 1586 CG PRO A 107 -1.147 0.594 -2.959 1.00 0.87 C ATOM 1587 CD PRO A 107 -2.291 0.415 -1.959 1.00 0.81 C ATOM 0 HA PRO A 107 -3.343 -1.404 -4.451 1.00 0.84 H new ATOM 0 HB2 PRO A 107 -0.927 -0.334 -4.918 1.00 0.89 H new ATOM 0 HB3 PRO A 107 -2.317 0.727 -4.793 1.00 0.89 H new ATOM 0 HG2 PRO A 107 -0.246 0.071 -2.638 1.00 0.87 H new ATOM 0 HG3 PRO A 107 -0.880 1.644 -3.082 1.00 0.87 H new ATOM 0 HD2 PRO A 107 -1.909 0.235 -0.954 1.00 0.81 H new ATOM 0 HD3 PRO A 107 -2.912 1.309 -1.909 1.00 0.81 H new ATOM 1595 N LEU A 108 -1.046 -2.873 -4.587 1.00 1.00 N ATOM 1596 CA LEU A 108 -0.220 -4.055 -4.548 1.00 1.08 C ATOM 1597 C LEU A 108 1.216 -3.568 -4.522 1.00 0.94 C ATOM 1598 O LEU A 108 1.549 -2.556 -5.135 1.00 1.03 O ATOM 1599 CB LEU A 108 -0.523 -4.934 -5.763 1.00 1.39 C ATOM 1600 CG LEU A 108 -1.976 -5.433 -5.737 1.00 1.72 C ATOM 1601 CD1 LEU A 108 -2.295 -6.106 -7.068 1.00 2.24 C ATOM 1602 CD2 LEU A 108 -2.207 -6.415 -4.584 1.00 1.82 C ATOM 0 H LEU A 108 -1.027 -2.387 -5.484 1.00 1.00 H new ATOM 0 HA LEU A 108 -0.412 -4.673 -3.671 1.00 1.08 H new ATOM 0 HB2 LEU A 108 -0.346 -4.369 -6.678 1.00 1.39 H new ATOM 0 HB3 LEU A 108 0.157 -5.786 -5.778 1.00 1.39 H new ATOM 0 HG LEU A 108 -2.636 -4.579 -5.583 1.00 1.72 H new ATOM 0 HD11 LEU A 108 -3.325 -6.463 -7.058 1.00 2.24 H new ATOM 0 HD12 LEU A 108 -2.168 -5.388 -7.878 1.00 2.24 H new ATOM 0 HD13 LEU A 108 -1.620 -6.948 -7.221 1.00 2.24 H new ATOM 0 HD21 LEU A 108 -3.244 -6.749 -4.593 1.00 1.82 H new ATOM 0 HD22 LEU A 108 -1.547 -7.275 -4.701 1.00 1.82 H new ATOM 0 HD23 LEU A 108 -1.994 -5.920 -3.636 1.00 1.82 H new ATOM 1614 N LEU A 109 2.046 -4.289 -3.782 1.00 1.08 N ATOM 1615 CA LEU A 109 3.444 -3.971 -3.562 1.00 1.04 C ATOM 1616 C LEU A 109 4.245 -5.192 -3.981 1.00 1.11 C ATOM 1617 O LEU A 109 3.699 -6.293 -4.025 1.00 1.15 O ATOM 1618 CB LEU A 109 3.710 -3.643 -2.082 1.00 1.41 C ATOM 1619 CG LEU A 109 2.858 -2.484 -1.534 1.00 1.13 C ATOM 1620 CD1 LEU A 109 1.611 -2.986 -0.796 1.00 1.76 C ATOM 1621 CD2 LEU A 109 3.681 -1.663 -0.541 1.00 1.47 C ATOM 0 H LEU A 109 1.752 -5.140 -3.303 1.00 1.08 H new ATOM 0 HA LEU A 109 3.730 -3.093 -4.141 1.00 1.04 H new ATOM 0 HB2 LEU A 109 3.521 -4.534 -1.483 1.00 1.41 H new ATOM 0 HB3 LEU A 109 4.764 -3.395 -1.959 1.00 1.41 H new ATOM 0 HG LEU A 109 2.550 -1.884 -2.390 1.00 1.13 H new ATOM 0 HD11 LEU A 109 1.040 -2.135 -0.426 1.00 1.76 H new ATOM 0 HD12 LEU A 109 0.993 -3.568 -1.480 1.00 1.76 H new ATOM 0 HD13 LEU A 109 1.913 -3.613 0.043 1.00 1.76 H new ATOM 0 HD21 LEU A 109 3.074 -0.844 -0.155 1.00 1.47 H new ATOM 0 HD22 LEU A 109 3.997 -2.301 0.285 1.00 1.47 H new ATOM 0 HD23 LEU A 109 4.560 -1.259 -1.043 1.00 1.47 H new ATOM 1633 N SER A 110 5.543 -5.023 -4.233 1.00 1.25 N ATOM 1634 CA SER A 110 6.428 -6.133 -4.576 1.00 1.41 C ATOM 1635 C SER A 110 5.971 -6.901 -5.826 1.00 1.49 C ATOM 1636 O SER A 110 6.239 -8.088 -5.990 1.00 1.84 O ATOM 1637 CB SER A 110 6.702 -7.008 -3.338 1.00 1.56 C ATOM 1638 OG SER A 110 5.762 -6.841 -2.290 1.00 1.79 O ATOM 0 H SER A 110 6.008 -4.116 -4.205 1.00 1.25 H new ATOM 0 HA SER A 110 7.393 -5.724 -4.875 1.00 1.41 H new ATOM 0 HB2 SER A 110 6.709 -8.055 -3.641 1.00 1.56 H new ATOM 0 HB3 SER A 110 7.698 -6.779 -2.958 1.00 1.56 H new ATOM 0 HG SER A 110 5.999 -7.428 -1.542 1.00 1.79 H new ATOM 1644 N THR A 111 5.347 -6.197 -6.774 1.00 1.44 N ATOM 1645 CA THR A 111 4.756 -6.810 -7.954 1.00 1.65 C ATOM 1646 C THR A 111 5.008 -5.974 -9.207 1.00 2.09 C ATOM 1647 O THR A 111 4.195 -5.934 -10.123 1.00 3.10 O ATOM 1648 CB THR A 111 3.262 -6.966 -7.684 1.00 1.62 C ATOM 1649 OG1 THR A 111 2.766 -5.767 -7.113 1.00 2.09 O ATOM 1650 CG2 THR A 111 3.012 -8.147 -6.747 1.00 1.38 C ATOM 0 H THR A 111 5.240 -5.183 -6.739 1.00 1.44 H new ATOM 0 HA THR A 111 5.213 -7.782 -8.142 1.00 1.65 H new ATOM 0 HB THR A 111 2.742 -7.162 -8.622 1.00 1.62 H new ATOM 0 HG1 THR A 111 1.794 -5.727 -7.230 1.00 2.09 H new ATOM 0 HG21 THR A 111 1.942 -8.246 -6.564 1.00 1.38 H new ATOM 0 HG22 THR A 111 3.387 -9.062 -7.206 1.00 1.38 H new ATOM 0 HG23 THR A 111 3.528 -7.977 -5.802 1.00 1.38 H new ATOM 1658 N GLY A 112 6.161 -5.318 -9.278 1.00 2.02 N ATOM 1659 CA GLY A 112 6.519 -4.540 -10.448 1.00 2.47 C ATOM 1660 C GLY A 112 7.833 -3.841 -10.173 1.00 1.81 C ATOM 1661 O GLY A 112 8.838 -4.106 -10.824 1.00 2.11 O ATOM 0 H GLY A 112 6.861 -5.312 -8.536 1.00 2.02 H new ATOM 0 HA2 GLY A 112 6.609 -5.187 -11.321 1.00 2.47 H new ATOM 0 HA3 GLY A 112 5.741 -3.810 -10.671 1.00 2.47 H new ATOM 1665 N ILE A 113 7.838 -2.990 -9.149 1.00 1.61 N ATOM 1666 CA ILE A 113 9.016 -2.247 -8.754 1.00 1.17 C ATOM 1667 C ILE A 113 9.150 -2.323 -7.237 1.00 1.46 C ATOM 1668 O ILE A 113 8.760 -1.407 -6.532 1.00 2.82 O ATOM 1669 CB ILE A 113 8.952 -0.818 -9.338 1.00 1.87 C ATOM 1670 CG1 ILE A 113 10.120 0.076 -8.882 1.00 2.07 C ATOM 1671 CG2 ILE A 113 7.617 -0.103 -9.059 1.00 3.02 C ATOM 1672 CD1 ILE A 113 11.484 -0.523 -9.238 1.00 3.26 C ATOM 0 H ILE A 113 7.018 -2.801 -8.572 1.00 1.61 H new ATOM 0 HA ILE A 113 9.930 -2.678 -9.164 1.00 1.17 H new ATOM 0 HB ILE A 113 9.036 -0.969 -10.414 1.00 1.87 H new ATOM 0 HG12 ILE A 113 10.025 1.058 -9.345 1.00 2.07 H new ATOM 0 HG13 ILE A 113 10.061 0.225 -7.804 1.00 2.07 H new ATOM 0 HG21 ILE A 113 7.640 0.895 -9.497 1.00 3.02 H new ATOM 0 HG22 ILE A 113 6.800 -0.674 -9.500 1.00 3.02 H new ATOM 0 HG23 ILE A 113 7.465 -0.024 -7.983 1.00 3.02 H new ATOM 0 HD11 ILE A 113 12.275 0.144 -8.896 1.00 3.26 H new ATOM 0 HD12 ILE A 113 11.593 -1.493 -8.753 1.00 3.26 H new ATOM 0 HD13 ILE A 113 11.556 -0.647 -10.319 1.00 3.26 H new ATOM 1684 N PHE A 114 9.697 -3.440 -6.746 1.00 0.92 N ATOM 1685 CA PHE A 114 10.314 -3.591 -5.431 1.00 0.87 C ATOM 1686 C PHE A 114 11.036 -4.937 -5.445 1.00 0.95 C ATOM 1687 O PHE A 114 12.225 -5.014 -5.147 1.00 0.99 O ATOM 1688 CB PHE A 114 9.282 -3.515 -4.287 1.00 0.93 C ATOM 1689 CG PHE A 114 9.107 -2.189 -3.549 1.00 0.80 C ATOM 1690 CD1 PHE A 114 8.244 -2.159 -2.438 1.00 2.32 C ATOM 1691 CD2 PHE A 114 9.748 -0.994 -3.944 1.00 1.94 C ATOM 1692 CE1 PHE A 114 7.994 -0.953 -1.761 1.00 2.81 C ATOM 1693 CE2 PHE A 114 9.488 0.214 -3.279 1.00 2.15 C ATOM 1694 CZ PHE A 114 8.602 0.238 -2.192 1.00 1.99 C ATOM 0 H PHE A 114 9.721 -4.305 -7.285 1.00 0.92 H new ATOM 0 HA PHE A 114 11.009 -2.773 -5.242 1.00 0.87 H new ATOM 0 HB2 PHE A 114 8.312 -3.797 -4.697 1.00 0.93 H new ATOM 0 HB3 PHE A 114 9.549 -4.272 -3.549 1.00 0.93 H new ATOM 0 HD1 PHE A 114 7.770 -3.070 -2.103 1.00 2.32 H new ATOM 0 HD2 PHE A 114 10.446 -1.010 -4.768 1.00 1.94 H new ATOM 0 HE1 PHE A 114 7.333 -0.942 -0.907 1.00 2.81 H new ATOM 0 HE2 PHE A 114 9.970 1.124 -3.604 1.00 2.15 H new ATOM 0 HZ PHE A 114 8.388 1.169 -1.688 1.00 1.99 H new ATOM 1704 N SER A 115 10.330 -6.006 -5.807 1.00 1.03 N ATOM 1705 CA SER A 115 10.870 -7.344 -5.662 1.00 1.04 C ATOM 1706 C SER A 115 12.014 -7.668 -6.608 1.00 1.03 C ATOM 1707 O SER A 115 13.035 -8.179 -6.167 1.00 1.06 O ATOM 1708 CB SER A 115 9.746 -8.360 -5.773 1.00 1.09 C ATOM 1709 OG SER A 115 8.846 -7.969 -4.776 1.00 2.25 O ATOM 0 H SER A 115 9.389 -5.967 -6.200 1.00 1.03 H new ATOM 0 HA SER A 115 11.318 -7.395 -4.670 1.00 1.04 H new ATOM 0 HB2 SER A 115 9.284 -8.340 -6.760 1.00 1.09 H new ATOM 0 HB3 SER A 115 10.107 -9.376 -5.611 1.00 1.09 H new ATOM 0 HG SER A 115 8.589 -8.750 -4.243 1.00 2.25 H new ATOM 1715 N GLY A 116 11.842 -7.410 -7.905 1.00 1.27 N ATOM 1716 CA GLY A 116 12.824 -7.738 -8.931 1.00 1.35 C ATOM 1717 C GLY A 116 13.373 -9.153 -8.784 1.00 1.46 C ATOM 1718 O GLY A 116 14.575 -9.363 -8.929 1.00 2.89 O ATOM 0 H GLY A 116 11.004 -6.961 -8.274 1.00 1.27 H new ATOM 0 HA2 GLY A 116 12.367 -7.630 -9.915 1.00 1.35 H new ATOM 0 HA3 GLY A 116 13.647 -7.026 -8.882 1.00 1.35 H new ATOM 1722 N ASN A 117 12.510 -10.116 -8.458 1.00 1.37 N ATOM 1723 CA ASN A 117 12.917 -11.481 -8.170 1.00 2.20 C ATOM 1724 C ASN A 117 11.677 -12.373 -8.238 1.00 1.71 C ATOM 1725 O ASN A 117 10.605 -11.898 -8.614 1.00 2.61 O ATOM 1726 CB ASN A 117 13.573 -11.534 -6.779 1.00 3.99 C ATOM 1727 CG ASN A 117 14.776 -12.460 -6.796 1.00 5.39 C ATOM 1728 OD1 ASN A 117 14.669 -13.597 -7.241 1.00 5.57 O ATOM 1729 ND2 ASN A 117 15.926 -11.991 -6.331 1.00 6.85 N ATOM 0 H ASN A 117 11.504 -9.964 -8.387 1.00 1.37 H new ATOM 0 HA ASN A 117 13.648 -11.835 -8.897 1.00 2.20 H new ATOM 0 HB2 ASN A 117 13.881 -10.533 -6.477 1.00 3.99 H new ATOM 0 HB3 ASN A 117 12.849 -11.881 -6.042 1.00 3.99 H new ATOM 0 HD21 ASN A 117 16.757 -12.582 -6.337 1.00 6.85 H new ATOM 0 HD22 ASN A 117 15.979 -11.039 -5.968 1.00 6.85 H new ATOM 1736 N LYS A 118 11.790 -13.647 -7.856 1.00 2.58 N ATOM 1737 CA LYS A 118 10.625 -14.517 -7.734 1.00 2.50 C ATOM 1738 C LYS A 118 9.709 -13.990 -6.630 1.00 2.28 C ATOM 1739 O LYS A 118 9.990 -14.209 -5.456 1.00 3.45 O ATOM 1740 CB LYS A 118 11.063 -15.947 -7.389 1.00 3.53 C ATOM 1741 CG LYS A 118 11.699 -16.662 -8.583 1.00 3.95 C ATOM 1742 CD LYS A 118 12.060 -18.096 -8.181 1.00 5.02 C ATOM 1743 CE LYS A 118 12.467 -18.901 -9.418 1.00 5.61 C ATOM 1744 NZ LYS A 118 12.768 -20.308 -9.079 1.00 6.34 N ATOM 0 H LYS A 118 12.677 -14.096 -7.627 1.00 2.58 H new ATOM 0 HA LYS A 118 10.092 -14.527 -8.685 1.00 2.50 H new ATOM 0 HB2 LYS A 118 11.775 -15.918 -6.564 1.00 3.53 H new ATOM 0 HB3 LYS A 118 10.200 -16.516 -7.045 1.00 3.53 H new ATOM 0 HG2 LYS A 118 11.008 -16.671 -9.426 1.00 3.95 H new ATOM 0 HG3 LYS A 118 12.592 -16.128 -8.908 1.00 3.95 H new ATOM 0 HD2 LYS A 118 12.877 -18.085 -7.459 1.00 5.02 H new ATOM 0 HD3 LYS A 118 11.209 -18.570 -7.692 1.00 5.02 H new ATOM 0 HE2 LYS A 118 11.664 -18.868 -10.154 1.00 5.61 H new ATOM 0 HE3 LYS A 118 13.342 -18.442 -9.879 1.00 5.61 H new ATOM 0 HZ1 LYS A 118 13.040 -20.822 -9.941 1.00 6.34 H new ATOM 0 HZ2 LYS A 118 13.551 -20.340 -8.395 1.00 6.34 H new ATOM 0 HZ3 LYS A 118 11.925 -20.753 -8.662 1.00 6.34 H new ATOM 1758 N ASP A 119 8.607 -13.335 -6.993 1.00 2.07 N ATOM 1759 CA ASP A 119 7.604 -12.854 -6.049 1.00 1.76 C ATOM 1760 C ASP A 119 6.280 -12.696 -6.805 1.00 1.45 C ATOM 1761 O ASP A 119 6.278 -12.789 -8.036 1.00 2.24 O ATOM 1762 CB ASP A 119 8.074 -11.519 -5.458 1.00 2.46 C ATOM 1763 CG ASP A 119 7.430 -11.231 -4.106 1.00 2.80 C ATOM 1764 OD1 ASP A 119 6.456 -11.931 -3.766 1.00 3.36 O ATOM 1765 OD2 ASP A 119 7.930 -10.290 -3.447 1.00 3.55 O ATOM 0 H ASP A 119 8.384 -13.121 -7.965 1.00 2.07 H new ATOM 0 HA ASP A 119 7.462 -13.555 -5.227 1.00 1.76 H new ATOM 0 HB2 ASP A 119 9.158 -11.534 -5.347 1.00 2.46 H new ATOM 0 HB3 ASP A 119 7.836 -10.712 -6.151 1.00 2.46 H new ATOM 1770 N ARG A 120 5.141 -12.502 -6.130 1.00 0.96 N ATOM 1771 CA ARG A 120 3.877 -12.194 -6.795 1.00 1.19 C ATOM 1772 C ARG A 120 2.871 -11.626 -5.802 1.00 1.00 C ATOM 1773 O ARG A 120 3.064 -11.679 -4.590 1.00 0.93 O ATOM 1774 CB ARG A 120 3.296 -13.421 -7.515 1.00 1.88 C ATOM 1775 CG ARG A 120 3.207 -14.685 -6.651 1.00 3.10 C ATOM 1776 CD ARG A 120 4.556 -15.415 -6.560 1.00 3.77 C ATOM 1777 NE ARG A 120 4.389 -16.875 -6.618 1.00 4.72 N ATOM 1778 CZ ARG A 120 4.112 -17.564 -7.732 1.00 5.04 C ATOM 1779 NH1 ARG A 120 3.955 -18.887 -7.682 1.00 6.11 N ATOM 1780 NH2 ARG A 120 3.984 -16.927 -8.898 1.00 4.75 N ATOM 0 H ARG A 120 5.073 -12.554 -5.114 1.00 0.96 H new ATOM 0 HA ARG A 120 4.083 -11.438 -7.553 1.00 1.19 H new ATOM 0 HB2 ARG A 120 2.298 -13.174 -7.878 1.00 1.88 H new ATOM 0 HB3 ARG A 120 3.910 -13.637 -8.390 1.00 1.88 H new ATOM 0 HG2 ARG A 120 2.871 -14.417 -5.649 1.00 3.10 H new ATOM 0 HG3 ARG A 120 2.458 -15.358 -7.069 1.00 3.10 H new ATOM 0 HD2 ARG A 120 5.202 -15.090 -7.376 1.00 3.77 H new ATOM 0 HD3 ARG A 120 5.055 -15.142 -5.630 1.00 3.77 H new ATOM 0 HE ARG A 120 4.491 -17.399 -5.749 1.00 4.72 H new ATOM 0 HH11 ARG A 120 4.046 -19.378 -6.793 1.00 6.11 H new ATOM 0 HH12 ARG A 120 3.744 -19.408 -8.533 1.00 6.11 H new ATOM 0 HH21 ARG A 120 4.097 -15.914 -8.941 1.00 4.75 H new ATOM 0 HH22 ARG A 120 3.773 -17.453 -9.746 1.00 4.75 H new ATOM 1794 N LEU A 121 1.740 -11.146 -6.320 1.00 1.01 N ATOM 1795 CA LEU A 121 0.737 -10.475 -5.511 1.00 0.92 C ATOM 1796 C LEU A 121 0.103 -11.478 -4.585 1.00 0.92 C ATOM 1797 O LEU A 121 -0.233 -11.145 -3.470 1.00 0.91 O ATOM 1798 CB LEU A 121 -0.334 -9.745 -6.335 1.00 1.06 C ATOM 1799 CG LEU A 121 -1.373 -10.624 -7.052 1.00 1.66 C ATOM 1800 CD1 LEU A 121 -2.648 -10.693 -6.213 1.00 2.40 C ATOM 1801 CD2 LEU A 121 -1.751 -10.030 -8.410 1.00 2.19 C ATOM 0 H LEU A 121 1.499 -11.214 -7.309 1.00 1.01 H new ATOM 0 HA LEU A 121 1.247 -9.698 -4.942 1.00 0.92 H new ATOM 0 HB2 LEU A 121 -0.866 -9.062 -5.673 1.00 1.06 H new ATOM 0 HB3 LEU A 121 0.170 -9.135 -7.084 1.00 1.06 H new ATOM 0 HG LEU A 121 -0.934 -11.612 -7.190 1.00 1.66 H new ATOM 0 HD11 LEU A 121 -3.384 -11.316 -6.721 1.00 2.40 H new ATOM 0 HD12 LEU A 121 -2.419 -11.123 -5.238 1.00 2.40 H new ATOM 0 HD13 LEU A 121 -3.051 -9.689 -6.081 1.00 2.40 H new ATOM 0 HD21 LEU A 121 -2.487 -10.671 -8.895 1.00 2.19 H new ATOM 0 HD22 LEU A 121 -2.174 -9.036 -8.267 1.00 2.19 H new ATOM 0 HD23 LEU A 121 -0.862 -9.959 -9.036 1.00 2.19 H new ATOM 1813 N THR A 122 -0.037 -12.717 -5.030 1.00 0.98 N ATOM 1814 CA THR A 122 -0.533 -13.836 -4.277 1.00 1.00 C ATOM 1815 C THR A 122 0.218 -13.995 -2.961 1.00 0.93 C ATOM 1816 O THR A 122 -0.374 -14.450 -1.986 1.00 1.01 O ATOM 1817 CB THR A 122 -0.405 -15.043 -5.200 1.00 1.06 C ATOM 1818 OG1 THR A 122 -1.151 -14.762 -6.366 1.00 1.16 O ATOM 1819 CG2 THR A 122 -0.923 -16.317 -4.546 1.00 1.16 C ATOM 0 H THR A 122 0.210 -12.973 -5.986 1.00 0.98 H new ATOM 0 HA THR A 122 -1.573 -13.704 -3.978 1.00 1.00 H new ATOM 0 HB THR A 122 0.647 -15.213 -5.431 1.00 1.06 H new ATOM 0 HG1 THR A 122 -1.089 -15.520 -6.985 1.00 1.16 H new ATOM 0 HG21 THR A 122 -0.813 -17.152 -5.238 1.00 1.16 H new ATOM 0 HG22 THR A 122 -0.352 -16.519 -3.640 1.00 1.16 H new ATOM 0 HG23 THR A 122 -1.976 -16.193 -4.291 1.00 1.16 H new ATOM 1827 N GLN A 123 1.498 -13.613 -2.903 1.00 0.85 N ATOM 1828 CA GLN A 123 2.183 -13.674 -1.622 1.00 0.82 C ATOM 1829 C GLN A 123 1.772 -12.486 -0.767 1.00 0.78 C ATOM 1830 O GLN A 123 1.342 -12.663 0.372 1.00 0.80 O ATOM 1831 CB GLN A 123 3.709 -13.736 -1.744 1.00 0.86 C ATOM 1832 CG GLN A 123 4.180 -15.128 -2.191 1.00 1.11 C ATOM 1833 CD GLN A 123 5.633 -15.405 -1.796 1.00 1.29 C ATOM 1834 OE1 GLN A 123 6.344 -14.543 -1.305 1.00 2.49 O ATOM 1835 NE2 GLN A 123 6.101 -16.634 -1.971 1.00 1.99 N ATOM 0 H GLN A 123 2.053 -13.275 -3.689 1.00 0.85 H new ATOM 0 HA GLN A 123 1.880 -14.607 -1.147 1.00 0.82 H new ATOM 0 HB2 GLN A 123 4.049 -12.988 -2.460 1.00 0.86 H new ATOM 0 HB3 GLN A 123 4.163 -13.488 -0.784 1.00 0.86 H new ATOM 0 HG2 GLN A 123 3.535 -15.887 -1.748 1.00 1.11 H new ATOM 0 HG3 GLN A 123 4.077 -15.214 -3.273 1.00 1.11 H new ATOM 0 HE21 GLN A 123 5.505 -17.353 -2.381 1.00 1.99 H new ATOM 0 HE22 GLN A 123 7.057 -16.860 -1.695 1.00 1.99 H new ATOM 1844 N SER A 124 1.885 -11.267 -1.297 1.00 0.77 N ATOM 1845 CA SER A 124 1.652 -10.086 -0.480 1.00 0.78 C ATOM 1846 C SER A 124 0.222 -10.090 0.047 1.00 0.85 C ATOM 1847 O SER A 124 -0.014 -9.761 1.203 1.00 0.95 O ATOM 1848 CB SER A 124 1.955 -8.819 -1.282 1.00 0.84 C ATOM 1849 OG SER A 124 3.245 -8.902 -1.855 1.00 1.28 O ATOM 0 H SER A 124 2.131 -11.078 -2.269 1.00 0.77 H new ATOM 0 HA SER A 124 2.324 -10.102 0.378 1.00 0.78 H new ATOM 0 HB2 SER A 124 1.209 -8.688 -2.066 1.00 0.84 H new ATOM 0 HB3 SER A 124 1.893 -7.945 -0.633 1.00 0.84 H new ATOM 0 HG SER A 124 3.428 -8.087 -2.367 1.00 1.28 H new ATOM 1855 N LEU A 125 -0.721 -10.531 -0.784 1.00 0.86 N ATOM 1856 CA LEU A 125 -2.128 -10.651 -0.457 1.00 0.95 C ATOM 1857 C LEU A 125 -2.291 -11.622 0.684 1.00 0.97 C ATOM 1858 O LEU A 125 -3.092 -11.392 1.577 1.00 1.02 O ATOM 1859 CB LEU A 125 -2.992 -11.026 -1.683 1.00 1.06 C ATOM 1860 CG LEU A 125 -3.432 -12.503 -1.811 1.00 1.56 C ATOM 1861 CD1 LEU A 125 -4.528 -12.935 -0.828 1.00 1.42 C ATOM 1862 CD2 LEU A 125 -4.022 -12.719 -3.199 1.00 2.61 C ATOM 0 H LEU A 125 -0.511 -10.824 -1.738 1.00 0.86 H new ATOM 0 HA LEU A 125 -2.496 -9.675 -0.140 1.00 0.95 H new ATOM 0 HB2 LEU A 125 -3.889 -10.406 -1.667 1.00 1.06 H new ATOM 0 HB3 LEU A 125 -2.437 -10.760 -2.582 1.00 1.06 H new ATOM 0 HG LEU A 125 -2.535 -13.087 -1.605 1.00 1.56 H new ATOM 0 HD11 LEU A 125 -4.771 -13.985 -0.992 1.00 1.42 H new ATOM 0 HD12 LEU A 125 -4.174 -12.800 0.194 1.00 1.42 H new ATOM 0 HD13 LEU A 125 -5.419 -12.327 -0.986 1.00 1.42 H new ATOM 0 HD21 LEU A 125 -4.337 -13.757 -3.303 1.00 2.61 H new ATOM 0 HD22 LEU A 125 -4.882 -12.064 -3.335 1.00 2.61 H new ATOM 0 HD23 LEU A 125 -3.270 -12.491 -3.954 1.00 2.61 H new ATOM 1874 N ASN A 126 -1.539 -12.716 0.666 1.00 0.97 N ATOM 1875 CA ASN A 126 -1.629 -13.701 1.731 1.00 1.03 C ATOM 1876 C ASN A 126 -1.330 -13.040 3.070 1.00 1.00 C ATOM 1877 O ASN A 126 -2.059 -13.211 4.043 1.00 1.07 O ATOM 1878 CB ASN A 126 -0.676 -14.869 1.475 1.00 1.04 C ATOM 1879 CG ASN A 126 -1.123 -16.075 2.283 1.00 1.59 C ATOM 1880 OD1 ASN A 126 -2.103 -16.724 1.932 1.00 1.41 O ATOM 1881 ND2 ASN A 126 -0.434 -16.392 3.371 1.00 3.01 N ATOM 0 H ASN A 126 -0.867 -12.940 -0.068 1.00 0.97 H new ATOM 0 HA ASN A 126 -2.643 -14.101 1.755 1.00 1.03 H new ATOM 0 HB2 ASN A 126 -0.662 -15.115 0.413 1.00 1.04 H new ATOM 0 HB3 ASN A 126 0.341 -14.590 1.751 1.00 1.04 H new ATOM 0 HD21 ASN A 126 -0.715 -17.192 3.938 1.00 3.01 H new ATOM 0 HD22 ASN A 126 0.377 -15.836 3.641 1.00 3.01 H new ATOM 1888 N HIS A 127 -0.261 -12.248 3.112 1.00 0.91 N ATOM 1889 CA HIS A 127 0.151 -11.591 4.346 1.00 0.89 C ATOM 1890 C HIS A 127 -0.784 -10.432 4.670 1.00 0.86 C ATOM 1891 O HIS A 127 -0.977 -10.093 5.833 1.00 0.88 O ATOM 1892 CB HIS A 127 1.600 -11.111 4.232 1.00 0.88 C ATOM 1893 CG HIS A 127 2.564 -12.250 4.045 1.00 0.97 C ATOM 1894 ND1 HIS A 127 2.957 -13.156 5.004 1.00 1.24 N ATOM 1895 CD2 HIS A 127 3.191 -12.578 2.876 1.00 0.88 C ATOM 1896 CE1 HIS A 127 3.806 -14.017 4.414 1.00 1.28 C ATOM 1897 NE2 HIS A 127 3.966 -13.714 3.116 1.00 1.05 N ATOM 0 H HIS A 127 0.333 -12.047 2.307 1.00 0.91 H new ATOM 0 HA HIS A 127 0.093 -12.310 5.163 1.00 0.89 H new ATOM 0 HB2 HIS A 127 1.687 -10.422 3.392 1.00 0.88 H new ATOM 0 HB3 HIS A 127 1.868 -10.554 5.130 1.00 0.88 H new ATOM 0 HD2 HIS A 127 3.103 -12.053 1.936 1.00 0.88 H new ATOM 0 HE1 HIS A 127 4.293 -14.840 4.916 1.00 1.28 H new ATOM 0 HE2 HIS A 127 4.541 -14.215 2.439 1.00 1.05 H new ATOM 1905 N LEU A 128 -1.379 -9.826 3.645 1.00 0.85 N ATOM 1906 CA LEU A 128 -2.234 -8.657 3.765 1.00 0.82 C ATOM 1907 C LEU A 128 -3.537 -9.061 4.421 1.00 0.88 C ATOM 1908 O LEU A 128 -4.015 -8.397 5.329 1.00 0.86 O ATOM 1909 CB LEU A 128 -2.485 -8.102 2.360 1.00 0.86 C ATOM 1910 CG LEU A 128 -3.465 -6.929 2.267 1.00 0.89 C ATOM 1911 CD1 LEU A 128 -2.911 -5.682 2.953 1.00 1.66 C ATOM 1912 CD2 LEU A 128 -3.715 -6.665 0.780 1.00 1.12 C ATOM 0 H LEU A 128 -1.274 -10.147 2.683 1.00 0.85 H new ATOM 0 HA LEU A 128 -1.762 -7.890 4.378 1.00 0.82 H new ATOM 0 HB2 LEU A 128 -1.530 -7.786 1.940 1.00 0.86 H new ATOM 0 HB3 LEU A 128 -2.857 -8.912 1.732 1.00 0.86 H new ATOM 0 HG LEU A 128 -4.395 -7.176 2.778 1.00 0.89 H new ATOM 0 HD11 LEU A 128 -3.632 -4.869 2.868 1.00 1.66 H new ATOM 0 HD12 LEU A 128 -2.729 -5.897 4.006 1.00 1.66 H new ATOM 0 HD13 LEU A 128 -1.976 -5.389 2.475 1.00 1.66 H new ATOM 0 HD21 LEU A 128 -4.411 -5.833 0.670 1.00 1.12 H new ATOM 0 HD22 LEU A 128 -2.773 -6.417 0.291 1.00 1.12 H new ATOM 0 HD23 LEU A 128 -4.140 -7.557 0.319 1.00 1.12 H new ATOM 1924 N LEU A 129 -4.100 -10.171 3.957 1.00 0.97 N ATOM 1925 CA LEU A 129 -5.296 -10.768 4.505 1.00 1.08 C ATOM 1926 C LEU A 129 -4.981 -11.364 5.859 1.00 1.08 C ATOM 1927 O LEU A 129 -5.871 -11.429 6.686 1.00 1.14 O ATOM 1928 CB LEU A 129 -5.848 -11.862 3.582 1.00 1.19 C ATOM 1929 CG LEU A 129 -6.404 -11.336 2.252 1.00 1.58 C ATOM 1930 CD1 LEU A 129 -7.094 -12.490 1.520 1.00 2.41 C ATOM 1931 CD2 LEU A 129 -7.403 -10.199 2.461 1.00 2.28 C ATOM 0 H LEU A 129 -3.720 -10.690 3.165 1.00 0.97 H new ATOM 0 HA LEU A 129 -6.054 -9.990 4.601 1.00 1.08 H new ATOM 0 HB2 LEU A 129 -5.056 -12.581 3.374 1.00 1.19 H new ATOM 0 HB3 LEU A 129 -6.637 -12.401 4.106 1.00 1.19 H new ATOM 0 HG LEU A 129 -5.574 -10.942 1.665 1.00 1.58 H new ATOM 0 HD11 LEU A 129 -7.495 -12.132 0.572 1.00 2.41 H new ATOM 0 HD12 LEU A 129 -6.372 -13.285 1.332 1.00 2.41 H new ATOM 0 HD13 LEU A 129 -7.907 -12.876 2.135 1.00 2.41 H new ATOM 0 HD21 LEU A 129 -7.772 -9.856 1.494 1.00 2.28 H new ATOM 0 HD22 LEU A 129 -8.239 -10.555 3.063 1.00 2.28 H new ATOM 0 HD23 LEU A 129 -6.912 -9.373 2.975 1.00 2.28 H new ATOM 1943 N THR A 130 -3.741 -11.773 6.126 1.00 1.03 N ATOM 1944 CA THR A 130 -3.422 -12.253 7.461 1.00 1.08 C ATOM 1945 C THR A 130 -3.496 -11.088 8.439 1.00 1.05 C ATOM 1946 O THR A 130 -4.154 -11.176 9.474 1.00 1.06 O ATOM 1947 CB THR A 130 -2.056 -12.951 7.464 1.00 1.10 C ATOM 1948 OG1 THR A 130 -2.138 -14.136 6.705 1.00 1.18 O ATOM 1949 CG2 THR A 130 -1.590 -13.340 8.867 1.00 1.19 C ATOM 0 H THR A 130 -2.969 -11.781 5.460 1.00 1.03 H new ATOM 0 HA THR A 130 -4.149 -13.000 7.781 1.00 1.08 H new ATOM 0 HB THR A 130 -1.342 -12.241 7.046 1.00 1.10 H new ATOM 0 HG1 THR A 130 -2.119 -13.915 5.750 1.00 1.18 H new ATOM 0 HG21 THR A 130 -0.618 -13.830 8.805 1.00 1.19 H new ATOM 0 HG22 THR A 130 -1.507 -12.445 9.484 1.00 1.19 H new ATOM 0 HG23 THR A 130 -2.312 -14.023 9.314 1.00 1.19 H new ATOM 1957 N ALA A 131 -2.854 -9.970 8.108 1.00 1.03 N ATOM 1958 CA ALA A 131 -2.865 -8.823 9.001 1.00 1.04 C ATOM 1959 C ALA A 131 -4.277 -8.261 9.130 1.00 1.04 C ATOM 1960 O ALA A 131 -4.716 -7.893 10.217 1.00 1.07 O ATOM 1961 CB ALA A 131 -1.890 -7.767 8.479 1.00 1.03 C ATOM 0 H ALA A 131 -2.330 -9.838 7.243 1.00 1.03 H new ATOM 0 HA ALA A 131 -2.544 -9.131 9.996 1.00 1.04 H new ATOM 0 HB1 ALA A 131 -1.896 -6.905 9.146 1.00 1.03 H new ATOM 0 HB2 ALA A 131 -0.885 -8.188 8.438 1.00 1.03 H new ATOM 0 HB3 ALA A 131 -2.193 -7.454 7.480 1.00 1.03 H new ATOM 1967 N LEU A 132 -4.994 -8.205 8.011 1.00 1.03 N ATOM 1968 CA LEU A 132 -6.335 -7.654 7.970 1.00 1.03 C ATOM 1969 C LEU A 132 -7.351 -8.686 8.426 1.00 1.05 C ATOM 1970 O LEU A 132 -8.491 -8.312 8.642 1.00 1.00 O ATOM 1971 CB LEU A 132 -6.697 -7.146 6.566 1.00 1.05 C ATOM 1972 CG LEU A 132 -5.942 -5.870 6.161 1.00 1.52 C ATOM 1973 CD1 LEU A 132 -6.313 -5.514 4.721 1.00 1.84 C ATOM 1974 CD2 LEU A 132 -6.316 -4.674 7.046 1.00 2.19 C ATOM 0 H LEU A 132 -4.657 -8.542 7.109 1.00 1.03 H new ATOM 0 HA LEU A 132 -6.358 -6.804 8.652 1.00 1.03 H new ATOM 0 HB2 LEU A 132 -6.485 -7.930 5.839 1.00 1.05 H new ATOM 0 HB3 LEU A 132 -7.769 -6.953 6.523 1.00 1.05 H new ATOM 0 HG LEU A 132 -4.876 -6.069 6.272 1.00 1.52 H new ATOM 0 HD11 LEU A 132 -5.783 -4.610 4.422 1.00 1.84 H new ATOM 0 HD12 LEU A 132 -6.033 -6.334 4.060 1.00 1.84 H new ATOM 0 HD13 LEU A 132 -7.388 -5.344 4.653 1.00 1.84 H new ATOM 0 HD21 LEU A 132 -5.759 -3.794 6.724 1.00 2.19 H new ATOM 0 HD22 LEU A 132 -7.385 -4.478 6.960 1.00 2.19 H new ATOM 0 HD23 LEU A 132 -6.071 -4.899 8.084 1.00 2.19 H new ATOM 1986 N ASP A 133 -7.002 -9.959 8.619 1.00 1.11 N ATOM 1987 CA ASP A 133 -7.974 -10.919 9.141 1.00 1.04 C ATOM 1988 C ASP A 133 -8.260 -10.595 10.597 1.00 0.97 C ATOM 1989 O ASP A 133 -9.382 -10.786 11.072 1.00 0.90 O ATOM 1990 CB ASP A 133 -7.522 -12.384 8.998 1.00 1.12 C ATOM 1991 CG ASP A 133 -8.233 -13.103 7.847 1.00 1.20 C ATOM 1992 OD1 ASP A 133 -9.368 -12.682 7.519 1.00 1.79 O ATOM 1993 OD2 ASP A 133 -7.675 -14.108 7.355 1.00 2.31 O ATOM 0 H ASP A 133 -6.076 -10.342 8.427 1.00 1.11 H new ATOM 0 HA ASP A 133 -8.880 -10.823 8.542 1.00 1.04 H new ATOM 0 HB2 ASP A 133 -6.445 -12.415 8.833 1.00 1.12 H new ATOM 0 HB3 ASP A 133 -7.717 -12.914 9.930 1.00 1.12 H new ATOM 1998 N THR A 134 -7.258 -10.028 11.274 1.00 1.04 N ATOM 1999 CA THR A 134 -7.359 -9.451 12.604 1.00 1.02 C ATOM 2000 C THR A 134 -8.403 -8.314 12.651 1.00 0.88 C ATOM 2001 O THR A 134 -8.778 -7.872 13.735 1.00 0.91 O ATOM 2002 CB THR A 134 -5.932 -9.089 13.070 1.00 1.15 C ATOM 2003 OG1 THR A 134 -5.622 -9.821 14.236 1.00 1.47 O ATOM 2004 CG2 THR A 134 -5.695 -7.611 13.344 1.00 1.50 C ATOM 0 H THR A 134 -6.317 -9.959 10.888 1.00 1.04 H new ATOM 0 HA THR A 134 -7.754 -10.164 13.328 1.00 1.02 H new ATOM 0 HB THR A 134 -5.281 -9.348 12.235 1.00 1.15 H new ATOM 0 HG1 THR A 134 -4.716 -9.595 14.533 1.00 1.47 H new ATOM 0 HG21 THR A 134 -4.664 -7.461 13.665 1.00 1.50 H new ATOM 0 HG22 THR A 134 -5.879 -7.038 12.435 1.00 1.50 H new ATOM 0 HG23 THR A 134 -6.372 -7.273 14.129 1.00 1.50 H new ATOM 2012 N THR A 135 -8.926 -7.866 11.502 1.00 0.83 N ATOM 2013 CA THR A 135 -9.983 -6.875 11.415 1.00 0.78 C ATOM 2014 C THR A 135 -11.065 -7.299 10.417 1.00 0.92 C ATOM 2015 O THR A 135 -10.841 -7.381 9.217 1.00 1.91 O ATOM 2016 CB THR A 135 -9.395 -5.531 10.988 1.00 1.08 C ATOM 2017 OG1 THR A 135 -8.693 -5.631 9.760 1.00 1.58 O ATOM 2018 CG2 THR A 135 -8.399 -5.001 12.017 1.00 1.44 C ATOM 0 H THR A 135 -8.611 -8.197 10.590 1.00 0.83 H new ATOM 0 HA THR A 135 -10.443 -6.785 12.399 1.00 0.78 H new ATOM 0 HB THR A 135 -10.246 -4.858 10.890 1.00 1.08 H new ATOM 0 HG1 THR A 135 -8.812 -6.529 9.387 1.00 1.58 H new ATOM 0 HG21 THR A 135 -8.002 -4.044 11.679 1.00 1.44 H new ATOM 0 HG22 THR A 135 -8.902 -4.868 12.975 1.00 1.44 H new ATOM 0 HG23 THR A 135 -7.582 -5.713 12.132 1.00 1.44 H new ATOM 2026 N ASP A 136 -12.288 -7.496 10.872 1.00 0.97 N ATOM 2027 CA ASP A 136 -13.478 -7.639 10.038 1.00 1.00 C ATOM 2028 C ASP A 136 -13.952 -6.265 9.552 1.00 1.09 C ATOM 2029 O ASP A 136 -15.094 -5.867 9.752 1.00 1.35 O ATOM 2030 CB ASP A 136 -14.575 -8.416 10.787 1.00 1.32 C ATOM 2031 CG ASP A 136 -15.051 -7.759 12.090 1.00 1.77 C ATOM 2032 OD1 ASP A 136 -14.171 -7.261 12.832 1.00 2.56 O ATOM 2033 OD2 ASP A 136 -16.265 -7.853 12.371 1.00 2.57 O ATOM 0 H ASP A 136 -12.493 -7.564 11.869 1.00 0.97 H new ATOM 0 HA ASP A 136 -13.230 -8.224 9.152 1.00 1.00 H new ATOM 0 HB2 ASP A 136 -15.431 -8.539 10.124 1.00 1.32 H new ATOM 0 HB3 ASP A 136 -14.203 -9.415 11.015 1.00 1.32 H new ATOM 2038 N ALA A 137 -13.053 -5.552 8.868 1.00 1.16 N ATOM 2039 CA ALA A 137 -13.334 -4.364 8.091 1.00 1.42 C ATOM 2040 C ALA A 137 -13.632 -4.820 6.656 1.00 1.24 C ATOM 2041 O ALA A 137 -14.564 -5.587 6.427 1.00 1.29 O ATOM 2042 CB ALA A 137 -12.116 -3.433 8.212 1.00 1.75 C ATOM 0 H ALA A 137 -12.066 -5.808 8.847 1.00 1.16 H new ATOM 0 HA ALA A 137 -14.201 -3.803 8.440 1.00 1.42 H new ATOM 0 HB1 ALA A 137 -12.294 -2.525 7.637 1.00 1.75 H new ATOM 0 HB2 ALA A 137 -11.958 -3.174 9.259 1.00 1.75 H new ATOM 0 HB3 ALA A 137 -11.231 -3.939 7.826 1.00 1.75 H new ATOM 2048 N ASP A 138 -12.816 -4.397 5.693 1.00 1.18 N ATOM 2049 CA ASP A 138 -12.920 -4.719 4.275 1.00 1.07 C ATOM 2050 C ASP A 138 -11.608 -4.289 3.627 1.00 1.07 C ATOM 2051 O ASP A 138 -10.964 -3.359 4.117 1.00 1.24 O ATOM 2052 CB ASP A 138 -14.093 -3.985 3.622 1.00 1.07 C ATOM 2053 CG ASP A 138 -14.300 -4.474 2.189 1.00 1.23 C ATOM 2054 OD1 ASP A 138 -14.330 -3.610 1.286 1.00 2.16 O ATOM 2055 OD2 ASP A 138 -14.412 -5.710 2.015 1.00 2.08 O ATOM 0 H ASP A 138 -12.023 -3.788 5.894 1.00 1.18 H new ATOM 0 HA ASP A 138 -13.099 -5.786 4.144 1.00 1.07 H new ATOM 0 HB2 ASP A 138 -15.001 -4.149 4.203 1.00 1.07 H new ATOM 0 HB3 ASP A 138 -13.903 -2.912 3.622 1.00 1.07 H new ATOM 2060 N VAL A 139 -11.205 -4.943 2.539 1.00 0.96 N ATOM 2061 CA VAL A 139 -9.976 -4.593 1.839 1.00 0.96 C ATOM 2062 C VAL A 139 -10.328 -4.264 0.396 1.00 0.86 C ATOM 2063 O VAL A 139 -10.995 -5.055 -0.272 1.00 0.85 O ATOM 2064 CB VAL A 139 -8.932 -5.716 1.986 1.00 1.02 C ATOM 2065 CG1 VAL A 139 -9.331 -7.037 1.330 1.00 1.20 C ATOM 2066 CG2 VAL A 139 -7.580 -5.282 1.418 1.00 1.40 C ATOM 0 H VAL A 139 -11.716 -5.722 2.124 1.00 0.96 H new ATOM 0 HA VAL A 139 -9.510 -3.710 2.276 1.00 0.96 H new ATOM 0 HB VAL A 139 -8.866 -5.894 3.059 1.00 1.02 H new ATOM 0 HG11 VAL A 139 -8.540 -7.772 1.481 1.00 1.20 H new ATOM 0 HG12 VAL A 139 -10.255 -7.401 1.778 1.00 1.20 H new ATOM 0 HG13 VAL A 139 -9.483 -6.882 0.262 1.00 1.20 H new ATOM 0 HG21 VAL A 139 -6.860 -6.092 1.534 1.00 1.40 H new ATOM 0 HG22 VAL A 139 -7.690 -5.042 0.360 1.00 1.40 H new ATOM 0 HG23 VAL A 139 -7.225 -4.402 1.955 1.00 1.40 H new ATOM 2076 N ALA A 140 -9.874 -3.103 -0.085 1.00 0.83 N ATOM 2077 CA ALA A 140 -10.218 -2.643 -1.419 1.00 0.72 C ATOM 2078 C ALA A 140 -8.932 -2.561 -2.225 1.00 0.71 C ATOM 2079 O ALA A 140 -8.121 -1.661 -2.043 1.00 0.99 O ATOM 2080 CB ALA A 140 -10.971 -1.310 -1.352 1.00 0.75 C ATOM 0 H ALA A 140 -9.267 -2.469 0.436 1.00 0.83 H new ATOM 0 HA ALA A 140 -10.896 -3.339 -1.914 1.00 0.72 H new ATOM 0 HB1 ALA A 140 -11.220 -0.982 -2.361 1.00 0.75 H new ATOM 0 HB2 ALA A 140 -11.887 -1.438 -0.776 1.00 0.75 H new ATOM 0 HB3 ALA A 140 -10.342 -0.561 -0.872 1.00 0.75 H new ATOM 2086 N ILE A 141 -8.711 -3.509 -3.122 1.00 0.67 N ATOM 2087 CA ILE A 141 -7.482 -3.561 -3.883 1.00 0.71 C ATOM 2088 C ILE A 141 -7.706 -2.617 -5.060 1.00 0.70 C ATOM 2089 O ILE A 141 -8.803 -2.559 -5.599 1.00 0.79 O ATOM 2090 CB ILE A 141 -7.241 -5.014 -4.324 1.00 0.77 C ATOM 2091 CG1 ILE A 141 -7.044 -5.918 -3.087 1.00 1.04 C ATOM 2092 CG2 ILE A 141 -6.034 -5.164 -5.270 1.00 1.35 C ATOM 2093 CD1 ILE A 141 -7.187 -7.406 -3.414 1.00 1.23 C ATOM 0 H ILE A 141 -9.373 -4.254 -3.338 1.00 0.67 H new ATOM 0 HA ILE A 141 -6.598 -3.256 -3.323 1.00 0.71 H new ATOM 0 HB ILE A 141 -8.126 -5.322 -4.880 1.00 0.77 H new ATOM 0 HG12 ILE A 141 -6.056 -5.737 -2.663 1.00 1.04 H new ATOM 0 HG13 ILE A 141 -7.773 -5.646 -2.324 1.00 1.04 H new ATOM 0 HG21 ILE A 141 -5.916 -6.212 -5.546 1.00 1.35 H new ATOM 0 HG22 ILE A 141 -6.199 -4.569 -6.168 1.00 1.35 H new ATOM 0 HG23 ILE A 141 -5.132 -4.817 -4.766 1.00 1.35 H new ATOM 0 HD11 ILE A 141 -7.039 -7.994 -2.508 1.00 1.23 H new ATOM 0 HD12 ILE A 141 -8.184 -7.597 -3.811 1.00 1.23 H new ATOM 0 HD13 ILE A 141 -6.440 -7.689 -4.156 1.00 1.23 H new ATOM 2105 N TYR A 142 -6.677 -1.878 -5.459 1.00 0.79 N ATOM 2106 CA TYR A 142 -6.699 -0.933 -6.561 1.00 0.90 C ATOM 2107 C TYR A 142 -5.509 -1.228 -7.460 1.00 0.92 C ATOM 2108 O TYR A 142 -4.369 -1.212 -6.996 1.00 1.18 O ATOM 2109 CB TYR A 142 -6.619 0.506 -6.036 1.00 1.24 C ATOM 2110 CG TYR A 142 -7.962 1.196 -5.941 1.00 1.39 C ATOM 2111 CD1 TYR A 142 -8.830 0.896 -4.878 1.00 2.27 C ATOM 2112 CD2 TYR A 142 -8.336 2.147 -6.910 1.00 2.51 C ATOM 2113 CE1 TYR A 142 -10.056 1.571 -4.761 1.00 3.64 C ATOM 2114 CE2 TYR A 142 -9.563 2.825 -6.799 1.00 3.92 C ATOM 2115 CZ TYR A 142 -10.423 2.550 -5.713 1.00 4.37 C ATOM 2116 OH TYR A 142 -11.591 3.238 -5.595 1.00 5.90 O ATOM 0 H TYR A 142 -5.767 -1.926 -5.001 1.00 0.79 H new ATOM 0 HA TYR A 142 -7.630 -1.035 -7.119 1.00 0.90 H new ATOM 0 HB2 TYR A 142 -6.154 0.498 -5.050 1.00 1.24 H new ATOM 0 HB3 TYR A 142 -5.968 1.086 -6.690 1.00 1.24 H new ATOM 0 HD1 TYR A 142 -8.555 0.146 -4.151 1.00 2.27 H new ATOM 0 HD2 TYR A 142 -7.679 2.356 -7.741 1.00 2.51 H new ATOM 0 HE1 TYR A 142 -10.721 1.342 -3.941 1.00 3.64 H new ATOM 0 HE2 TYR A 142 -9.847 3.555 -7.543 1.00 3.92 H new ATOM 0 HH TYR A 142 -11.620 3.685 -4.724 1.00 5.90 H new ATOM 2126 N CYS A 143 -5.759 -1.485 -8.744 1.00 0.77 N ATOM 2127 CA CYS A 143 -4.701 -1.546 -9.737 1.00 0.85 C ATOM 2128 C CYS A 143 -5.286 -1.242 -11.119 1.00 0.75 C ATOM 2129 O CYS A 143 -6.349 -1.745 -11.480 1.00 0.75 O ATOM 2130 CB CYS A 143 -3.987 -2.907 -9.691 1.00 1.04 C ATOM 2131 SG CYS A 143 -5.154 -4.298 -9.616 1.00 3.68 S ATOM 0 H CYS A 143 -6.693 -1.654 -9.117 1.00 0.77 H new ATOM 0 HA CYS A 143 -3.945 -0.792 -9.516 1.00 0.85 H new ATOM 0 HB2 CYS A 143 -3.355 -3.013 -10.573 1.00 1.04 H new ATOM 0 HB3 CYS A 143 -3.330 -2.940 -8.822 1.00 1.04 H new ATOM 0 HG CYS A 143 -4.494 -5.417 -9.582 1.00 3.68 H new ATOM 2137 N ARG A 144 -4.606 -0.386 -11.885 1.00 0.88 N ATOM 2138 CA ARG A 144 -4.955 -0.114 -13.273 1.00 0.96 C ATOM 2139 C ARG A 144 -4.258 -1.143 -14.151 1.00 1.01 C ATOM 2140 O ARG A 144 -3.033 -1.165 -14.198 1.00 1.22 O ATOM 2141 CB ARG A 144 -4.581 1.338 -13.638 1.00 1.18 C ATOM 2142 CG ARG A 144 -3.066 1.605 -13.642 1.00 1.94 C ATOM 2143 CD ARG A 144 -2.717 3.092 -13.516 1.00 2.66 C ATOM 2144 NE ARG A 144 -1.255 3.253 -13.470 1.00 4.03 N ATOM 2145 CZ ARG A 144 -0.494 2.982 -12.401 1.00 5.54 C ATOM 2146 NH1 ARG A 144 0.822 2.808 -12.550 1.00 7.14 N ATOM 2147 NH2 ARG A 144 -1.049 2.870 -11.192 1.00 6.16 N ATOM 0 H ARG A 144 -3.795 0.138 -11.555 1.00 0.88 H new ATOM 0 HA ARG A 144 -6.030 -0.203 -13.432 1.00 0.96 H new ATOM 0 HB2 ARG A 144 -4.984 1.571 -14.623 1.00 1.18 H new ATOM 0 HB3 ARG A 144 -5.058 2.016 -12.930 1.00 1.18 H new ATOM 0 HG2 ARG A 144 -2.605 1.059 -12.819 1.00 1.94 H new ATOM 0 HG3 ARG A 144 -2.637 1.214 -14.564 1.00 1.94 H new ATOM 0 HD2 ARG A 144 -3.128 3.645 -14.361 1.00 2.66 H new ATOM 0 HD3 ARG A 144 -3.167 3.507 -12.614 1.00 2.66 H new ATOM 0 HE ARG A 144 -0.789 3.595 -14.310 1.00 4.03 H new ATOM 0 HH11 ARG A 144 1.245 2.882 -13.475 1.00 7.14 H new ATOM 0 HH12 ARG A 144 1.404 2.602 -11.738 1.00 7.14 H new ATOM 0 HH21 ARG A 144 -2.056 2.991 -11.080 1.00 6.16 H new ATOM 0 HH22 ARG A 144 -0.466 2.664 -10.381 1.00 6.16 H new ATOM 2161 N ASP A 145 -5.033 -1.996 -14.819 1.00 1.01 N ATOM 2162 CA ASP A 145 -4.540 -3.019 -15.742 1.00 1.13 C ATOM 2163 C ASP A 145 -5.734 -3.765 -16.318 1.00 1.21 C ATOM 2164 O ASP A 145 -5.841 -3.913 -17.530 1.00 1.71 O ATOM 2165 CB ASP A 145 -3.586 -3.995 -15.029 1.00 1.15 C ATOM 2166 CG ASP A 145 -3.200 -5.171 -15.919 1.00 1.61 C ATOM 2167 OD1 ASP A 145 -2.002 -5.318 -16.245 1.00 1.87 O ATOM 2168 OD2 ASP A 145 -4.114 -5.981 -16.178 1.00 2.92 O ATOM 0 H ASP A 145 -6.049 -1.995 -14.731 1.00 1.01 H new ATOM 0 HA ASP A 145 -3.977 -2.542 -16.544 1.00 1.13 H new ATOM 0 HB2 ASP A 145 -2.686 -3.462 -14.722 1.00 1.15 H new ATOM 0 HB3 ASP A 145 -4.061 -4.368 -14.122 1.00 1.15 H new ATOM 2173 N LYS A 146 -6.630 -4.213 -15.431 1.00 0.94 N ATOM 2174 CA LYS A 146 -7.857 -4.952 -15.715 1.00 1.02 C ATOM 2175 C LYS A 146 -7.651 -6.462 -15.737 1.00 1.06 C ATOM 2176 O LYS A 146 -8.415 -7.167 -15.092 1.00 1.04 O ATOM 2177 CB LYS A 146 -8.559 -4.444 -16.974 1.00 1.21 C ATOM 2178 CG LYS A 146 -9.956 -5.048 -17.095 1.00 1.34 C ATOM 2179 CD LYS A 146 -10.702 -4.289 -18.189 1.00 1.86 C ATOM 2180 CE LYS A 146 -11.324 -3.013 -17.611 1.00 2.68 C ATOM 2181 NZ LYS A 146 -12.557 -2.624 -18.332 1.00 3.49 N ATOM 0 H LYS A 146 -6.505 -4.056 -14.431 1.00 0.94 H new ATOM 0 HA LYS A 146 -8.528 -4.754 -14.879 1.00 1.02 H new ATOM 0 HB2 LYS A 146 -8.629 -3.357 -16.943 1.00 1.21 H new ATOM 0 HB3 LYS A 146 -7.969 -4.701 -17.854 1.00 1.21 H new ATOM 0 HG2 LYS A 146 -9.893 -6.108 -17.341 1.00 1.34 H new ATOM 0 HG3 LYS A 146 -10.488 -4.972 -16.147 1.00 1.34 H new ATOM 0 HD2 LYS A 146 -10.018 -4.035 -18.998 1.00 1.86 H new ATOM 0 HD3 LYS A 146 -11.480 -4.922 -18.616 1.00 1.86 H new ATOM 0 HE2 LYS A 146 -11.553 -3.166 -16.556 1.00 2.68 H new ATOM 0 HE3 LYS A 146 -10.600 -2.200 -17.665 1.00 2.68 H new ATOM 0 HZ1 LYS A 146 -12.947 -1.757 -17.911 1.00 3.49 H new ATOM 0 HZ2 LYS A 146 -12.334 -2.453 -19.333 1.00 3.49 H new ATOM 0 HZ3 LYS A 146 -13.258 -3.389 -18.259 1.00 3.49 H new ATOM 2195 N LYS A 147 -6.630 -7.013 -16.387 1.00 1.15 N ATOM 2196 CA LYS A 147 -6.375 -8.443 -16.193 1.00 1.25 C ATOM 2197 C LYS A 147 -6.186 -8.758 -14.717 1.00 1.13 C ATOM 2198 O LYS A 147 -6.594 -9.822 -14.274 1.00 1.23 O ATOM 2199 CB LYS A 147 -5.174 -8.927 -17.014 1.00 1.41 C ATOM 2200 CG LYS A 147 -5.572 -9.121 -18.479 1.00 1.84 C ATOM 2201 CD LYS A 147 -4.344 -9.200 -19.393 1.00 2.11 C ATOM 2202 CE LYS A 147 -4.421 -10.440 -20.289 1.00 2.69 C ATOM 2203 NZ LYS A 147 -3.406 -10.402 -21.363 1.00 3.10 N ATOM 0 H LYS A 147 -5.995 -6.527 -17.020 1.00 1.15 H new ATOM 0 HA LYS A 147 -7.250 -8.983 -16.554 1.00 1.25 H new ATOM 0 HB2 LYS A 147 -4.362 -8.203 -16.944 1.00 1.41 H new ATOM 0 HB3 LYS A 147 -4.800 -9.866 -16.605 1.00 1.41 H new ATOM 0 HG2 LYS A 147 -6.160 -10.034 -18.579 1.00 1.84 H new ATOM 0 HG3 LYS A 147 -6.209 -8.295 -18.796 1.00 1.84 H new ATOM 0 HD2 LYS A 147 -4.283 -8.303 -20.009 1.00 2.11 H new ATOM 0 HD3 LYS A 147 -3.436 -9.235 -18.790 1.00 2.11 H new ATOM 0 HE2 LYS A 147 -4.278 -11.335 -19.684 1.00 2.69 H new ATOM 0 HE3 LYS A 147 -5.415 -10.509 -20.730 1.00 2.69 H new ATOM 0 HZ1 LYS A 147 -3.488 -11.257 -21.949 1.00 3.10 H new ATOM 0 HZ2 LYS A 147 -3.558 -9.561 -21.955 1.00 3.10 H new ATOM 0 HZ3 LYS A 147 -2.456 -10.361 -20.942 1.00 3.10 H new ATOM 2217 N TRP A 148 -5.621 -7.841 -13.933 1.00 0.99 N ATOM 2218 CA TRP A 148 -5.321 -8.138 -12.538 1.00 0.94 C ATOM 2219 C TRP A 148 -6.588 -8.162 -11.715 1.00 0.83 C ATOM 2220 O TRP A 148 -6.672 -8.920 -10.755 1.00 0.80 O ATOM 2221 CB TRP A 148 -4.364 -7.112 -11.936 1.00 0.98 C ATOM 2222 CG TRP A 148 -2.973 -7.118 -12.476 1.00 2.20 C ATOM 2223 CD1 TRP A 148 -2.645 -7.235 -13.776 1.00 3.23 C ATOM 2224 CD2 TRP A 148 -1.707 -6.998 -11.767 1.00 3.13 C ATOM 2225 NE1 TRP A 148 -1.297 -7.029 -13.944 1.00 4.70 N ATOM 2226 CE2 TRP A 148 -0.653 -6.954 -12.728 1.00 4.72 C ATOM 2227 CE3 TRP A 148 -1.345 -6.934 -10.407 1.00 2.94 C ATOM 2228 CZ2 TRP A 148 0.692 -6.843 -12.356 1.00 5.97 C ATOM 2229 CZ3 TRP A 148 0.004 -6.843 -10.018 1.00 4.16 C ATOM 2230 CH2 TRP A 148 1.018 -6.798 -10.991 1.00 5.65 C ATOM 0 H TRP A 148 -5.366 -6.901 -14.236 1.00 0.99 H new ATOM 0 HA TRP A 148 -4.845 -9.118 -12.517 1.00 0.94 H new ATOM 0 HB2 TRP A 148 -4.787 -6.119 -12.087 1.00 0.98 H new ATOM 0 HB3 TRP A 148 -4.315 -7.278 -10.860 1.00 0.98 H new ATOM 0 HD1 TRP A 148 -3.340 -7.458 -14.572 1.00 3.23 H new ATOM 0 HE1 TRP A 148 -0.834 -6.943 -14.849 1.00 4.70 H new ATOM 0 HE3 TRP A 148 -2.116 -6.955 -9.651 1.00 2.94 H new ATOM 0 HZ2 TRP A 148 1.467 -6.793 -13.107 1.00 5.97 H new ATOM 0 HZ3 TRP A 148 0.261 -6.808 -8.970 1.00 4.16 H new ATOM 0 HH2 TRP A 148 2.052 -6.729 -10.687 1.00 5.65 H new ATOM 2241 N GLU A 149 -7.569 -7.331 -12.066 1.00 0.86 N ATOM 2242 CA GLU A 149 -8.820 -7.377 -11.321 1.00 0.91 C ATOM 2243 C GLU A 149 -9.528 -8.680 -11.652 1.00 0.94 C ATOM 2244 O GLU A 149 -10.140 -9.276 -10.774 1.00 0.95 O ATOM 2245 CB GLU A 149 -9.696 -6.131 -11.516 1.00 1.13 C ATOM 2246 CG GLU A 149 -10.364 -6.006 -12.892 1.00 1.71 C ATOM 2247 CD GLU A 149 -11.892 -6.085 -12.880 1.00 2.46 C ATOM 2248 OE1 GLU A 149 -12.517 -5.603 -11.913 1.00 3.36 O ATOM 2249 OE2 GLU A 149 -12.461 -6.517 -13.910 1.00 2.98 O ATOM 0 H GLU A 149 -7.527 -6.650 -12.824 1.00 0.86 H new ATOM 0 HA GLU A 149 -8.599 -7.359 -10.254 1.00 0.91 H new ATOM 0 HB2 GLU A 149 -10.473 -6.131 -10.752 1.00 1.13 H new ATOM 0 HB3 GLU A 149 -9.083 -5.246 -11.347 1.00 1.13 H new ATOM 0 HG2 GLU A 149 -10.068 -5.056 -13.338 1.00 1.71 H new ATOM 0 HG3 GLU A 149 -9.980 -6.795 -13.538 1.00 1.71 H new ATOM 2256 N MET A 150 -9.383 -9.153 -12.894 1.00 1.04 N ATOM 2257 CA MET A 150 -9.938 -10.415 -13.337 1.00 1.18 C ATOM 2258 C MET A 150 -9.355 -11.528 -12.474 1.00 1.11 C ATOM 2259 O MET A 150 -10.080 -12.214 -11.764 1.00 1.12 O ATOM 2260 CB MET A 150 -9.629 -10.641 -14.828 1.00 1.34 C ATOM 2261 CG MET A 150 -10.849 -11.163 -15.585 1.00 1.34 C ATOM 2262 SD MET A 150 -10.437 -11.754 -17.251 1.00 1.73 S ATOM 2263 CE MET A 150 -11.623 -10.810 -18.239 1.00 2.83 C ATOM 0 H MET A 150 -8.869 -8.656 -13.621 1.00 1.04 H new ATOM 0 HA MET A 150 -11.023 -10.409 -13.229 1.00 1.18 H new ATOM 0 HB2 MET A 150 -9.295 -9.705 -15.276 1.00 1.34 H new ATOM 0 HB3 MET A 150 -8.808 -11.352 -14.926 1.00 1.34 H new ATOM 0 HG2 MET A 150 -11.304 -11.975 -15.018 1.00 1.34 H new ATOM 0 HG3 MET A 150 -11.593 -10.370 -15.659 1.00 1.34 H new ATOM 0 HE1 MET A 150 -11.499 -11.060 -19.293 1.00 2.83 H new ATOM 0 HE2 MET A 150 -12.637 -11.057 -17.924 1.00 2.83 H new ATOM 0 HE3 MET A 150 -11.448 -9.744 -18.096 1.00 2.83 H new ATOM 2273 N THR A 151 -8.031 -11.691 -12.492 1.00 1.09 N ATOM 2274 CA THR A 151 -7.366 -12.771 -11.793 1.00 1.13 C ATOM 2275 C THR A 151 -7.621 -12.716 -10.300 1.00 0.97 C ATOM 2276 O THR A 151 -7.839 -13.749 -9.672 1.00 0.99 O ATOM 2277 CB THR A 151 -5.867 -12.704 -12.090 1.00 1.22 C ATOM 2278 OG1 THR A 151 -5.653 -12.482 -13.466 1.00 1.34 O ATOM 2279 CG2 THR A 151 -5.173 -14.002 -11.706 1.00 1.44 C ATOM 0 H THR A 151 -7.396 -11.072 -12.995 1.00 1.09 H new ATOM 0 HA THR A 151 -7.771 -13.719 -12.147 1.00 1.13 H new ATOM 0 HB THR A 151 -5.454 -11.883 -11.503 1.00 1.22 H new ATOM 0 HG1 THR A 151 -4.690 -12.439 -13.645 1.00 1.34 H new ATOM 0 HG21 THR A 151 -4.109 -13.925 -11.928 1.00 1.44 H new ATOM 0 HG22 THR A 151 -5.309 -14.186 -10.640 1.00 1.44 H new ATOM 0 HG23 THR A 151 -5.604 -14.827 -12.274 1.00 1.44 H new ATOM 2287 N LEU A 152 -7.610 -11.524 -9.716 1.00 0.84 N ATOM 2288 CA LEU A 152 -7.935 -11.400 -8.311 1.00 0.76 C ATOM 2289 C LEU A 152 -9.375 -11.815 -8.065 1.00 0.72 C ATOM 2290 O LEU A 152 -9.645 -12.425 -7.040 1.00 0.72 O ATOM 2291 CB LEU A 152 -7.697 -9.979 -7.811 1.00 0.74 C ATOM 2292 CG LEU A 152 -6.270 -9.806 -7.277 1.00 0.99 C ATOM 2293 CD1 LEU A 152 -5.880 -8.331 -7.341 1.00 1.82 C ATOM 2294 CD2 LEU A 152 -6.219 -10.308 -5.827 1.00 1.93 C ATOM 0 H LEU A 152 -7.383 -10.648 -10.187 1.00 0.84 H new ATOM 0 HA LEU A 152 -7.276 -12.065 -7.753 1.00 0.76 H new ATOM 0 HB2 LEU A 152 -7.872 -9.272 -8.622 1.00 0.74 H new ATOM 0 HB3 LEU A 152 -8.413 -9.744 -7.023 1.00 0.74 H new ATOM 0 HG LEU A 152 -5.569 -10.381 -7.882 1.00 0.99 H new ATOM 0 HD11 LEU A 152 -4.866 -8.206 -6.962 1.00 1.82 H new ATOM 0 HD12 LEU A 152 -5.926 -7.987 -8.374 1.00 1.82 H new ATOM 0 HD13 LEU A 152 -6.569 -7.746 -6.733 1.00 1.82 H new ATOM 0 HD21 LEU A 152 -5.208 -10.190 -5.436 1.00 1.93 H new ATOM 0 HD22 LEU A 152 -6.914 -9.730 -5.217 1.00 1.93 H new ATOM 0 HD23 LEU A 152 -6.499 -11.361 -5.796 1.00 1.93 H new ATOM 2306 N LYS A 153 -10.306 -11.524 -8.973 1.00 0.78 N ATOM 2307 CA LYS A 153 -11.681 -11.969 -8.782 1.00 0.86 C ATOM 2308 C LYS A 153 -11.741 -13.483 -8.884 1.00 0.92 C ATOM 2309 O LYS A 153 -12.510 -14.111 -8.166 1.00 0.93 O ATOM 2310 CB LYS A 153 -12.633 -11.299 -9.787 1.00 1.01 C ATOM 2311 CG LYS A 153 -13.636 -10.417 -9.038 1.00 1.40 C ATOM 2312 CD LYS A 153 -14.708 -11.286 -8.372 1.00 2.46 C ATOM 2313 CE LYS A 153 -15.472 -10.479 -7.319 1.00 3.73 C ATOM 2314 NZ LYS A 153 -16.622 -11.239 -6.783 1.00 4.60 N ATOM 0 H LYS A 153 -10.137 -10.994 -9.828 1.00 0.78 H new ATOM 0 HA LYS A 153 -12.013 -11.670 -7.788 1.00 0.86 H new ATOM 0 HB2 LYS A 153 -12.064 -10.698 -10.496 1.00 1.01 H new ATOM 0 HB3 LYS A 153 -13.161 -12.058 -10.364 1.00 1.01 H new ATOM 0 HG2 LYS A 153 -13.118 -9.824 -8.284 1.00 1.40 H new ATOM 0 HG3 LYS A 153 -14.103 -9.716 -9.730 1.00 1.40 H new ATOM 0 HD2 LYS A 153 -15.401 -11.661 -9.125 1.00 2.46 H new ATOM 0 HD3 LYS A 153 -14.243 -12.155 -7.906 1.00 2.46 H new ATOM 0 HE2 LYS A 153 -14.799 -10.213 -6.504 1.00 3.73 H new ATOM 0 HE3 LYS A 153 -15.824 -9.546 -7.759 1.00 3.73 H new ATOM 0 HZ1 LYS A 153 -17.118 -10.664 -6.072 1.00 4.60 H new ATOM 0 HZ2 LYS A 153 -17.276 -11.471 -7.558 1.00 4.60 H new ATOM 0 HZ3 LYS A 153 -16.282 -12.117 -6.342 1.00 4.60 H new ATOM 2328 N GLU A 154 -10.917 -14.070 -9.742 1.00 1.02 N ATOM 2329 CA GLU A 154 -10.910 -15.491 -10.023 1.00 1.16 C ATOM 2330 C GLU A 154 -10.405 -16.229 -8.791 1.00 1.11 C ATOM 2331 O GLU A 154 -10.929 -17.271 -8.412 1.00 1.21 O ATOM 2332 CB GLU A 154 -10.014 -15.756 -11.244 1.00 1.31 C ATOM 2333 CG GLU A 154 -10.781 -16.462 -12.364 1.00 1.78 C ATOM 2334 CD GLU A 154 -11.823 -15.526 -12.978 1.00 3.78 C ATOM 2335 OE1 GLU A 154 -11.497 -14.904 -14.015 1.00 4.68 O ATOM 2336 OE2 GLU A 154 -12.924 -15.436 -12.390 1.00 5.11 O ATOM 0 H GLU A 154 -10.217 -13.552 -10.274 1.00 1.02 H new ATOM 0 HA GLU A 154 -11.914 -15.848 -10.254 1.00 1.16 H new ATOM 0 HB2 GLU A 154 -9.615 -14.812 -11.615 1.00 1.31 H new ATOM 0 HB3 GLU A 154 -9.162 -16.367 -10.945 1.00 1.31 H new ATOM 0 HG2 GLU A 154 -10.085 -16.795 -13.134 1.00 1.78 H new ATOM 0 HG3 GLU A 154 -11.271 -17.352 -11.971 1.00 1.78 H new ATOM 2343 N ALA A 155 -9.383 -15.679 -8.138 1.00 1.03 N ATOM 2344 CA ALA A 155 -8.794 -16.264 -6.951 1.00 1.06 C ATOM 2345 C ALA A 155 -9.685 -16.015 -5.745 1.00 0.95 C ATOM 2346 O ALA A 155 -9.823 -16.890 -4.898 1.00 1.04 O ATOM 2347 CB ALA A 155 -7.393 -15.687 -6.733 1.00 1.10 C ATOM 0 H ALA A 155 -8.941 -14.806 -8.427 1.00 1.03 H new ATOM 0 HA ALA A 155 -8.705 -17.342 -7.084 1.00 1.06 H new ATOM 0 HB1 ALA A 155 -6.952 -16.129 -5.839 1.00 1.10 H new ATOM 0 HB2 ALA A 155 -6.768 -15.914 -7.596 1.00 1.10 H new ATOM 0 HB3 ALA A 155 -7.460 -14.606 -6.608 1.00 1.10 H new ATOM 2353 N VAL A 156 -10.307 -14.842 -5.653 1.00 0.81 N ATOM 2354 CA VAL A 156 -11.266 -14.566 -4.600 1.00 0.77 C ATOM 2355 C VAL A 156 -12.477 -15.482 -4.781 1.00 0.86 C ATOM 2356 O VAL A 156 -13.105 -15.869 -3.803 1.00 0.94 O ATOM 2357 CB VAL A 156 -11.617 -13.065 -4.612 1.00 0.68 C ATOM 2358 CG1 VAL A 156 -12.894 -12.756 -3.833 1.00 0.73 C ATOM 2359 CG2 VAL A 156 -10.463 -12.255 -4.004 1.00 0.68 C ATOM 0 H VAL A 156 -10.159 -14.068 -6.301 1.00 0.81 H new ATOM 0 HA VAL A 156 -10.851 -14.779 -3.615 1.00 0.77 H new ATOM 0 HB VAL A 156 -11.780 -12.787 -5.653 1.00 0.68 H new ATOM 0 HG11 VAL A 156 -13.095 -11.685 -3.874 1.00 0.73 H new ATOM 0 HG12 VAL A 156 -13.730 -13.299 -4.274 1.00 0.73 H new ATOM 0 HG13 VAL A 156 -12.770 -13.063 -2.794 1.00 0.73 H new ATOM 0 HG21 VAL A 156 -10.717 -11.195 -4.015 1.00 0.68 H new ATOM 0 HG22 VAL A 156 -10.294 -12.577 -2.976 1.00 0.68 H new ATOM 0 HG23 VAL A 156 -9.557 -12.417 -4.588 1.00 0.68 H new ATOM 2369 N ALA A 157 -12.795 -15.861 -6.019 1.00 0.92 N ATOM 2370 CA ALA A 157 -13.943 -16.710 -6.284 1.00 1.06 C ATOM 2371 C ALA A 157 -13.597 -18.127 -5.857 1.00 1.17 C ATOM 2372 O ALA A 157 -14.339 -18.762 -5.119 1.00 1.23 O ATOM 2373 CB ALA A 157 -14.326 -16.654 -7.768 1.00 1.20 C ATOM 0 H ALA A 157 -12.270 -15.590 -6.850 1.00 0.92 H new ATOM 0 HA ALA A 157 -14.806 -16.360 -5.718 1.00 1.06 H new ATOM 0 HB1 ALA A 157 -15.188 -17.297 -7.946 1.00 1.20 H new ATOM 0 HB2 ALA A 157 -14.575 -15.629 -8.041 1.00 1.20 H new ATOM 0 HB3 ALA A 157 -13.487 -16.997 -8.373 1.00 1.20 H new ATOM 2379 N ARG A 158 -12.450 -18.627 -6.314 1.00 1.28 N ATOM 2380 CA ARG A 158 -12.036 -19.994 -6.048 1.00 1.51 C ATOM 2381 C ARG A 158 -11.656 -20.191 -4.582 1.00 1.53 C ATOM 2382 O ARG A 158 -11.595 -21.326 -4.121 1.00 1.75 O ATOM 2383 CB ARG A 158 -10.895 -20.396 -6.991 1.00 1.68 C ATOM 2384 CG ARG A 158 -10.906 -21.912 -7.207 1.00 1.75 C ATOM 2385 CD ARG A 158 -9.664 -22.369 -7.972 1.00 1.75 C ATOM 2386 NE ARG A 158 -9.700 -23.824 -8.180 1.00 2.27 N ATOM 2387 CZ ARG A 158 -8.638 -24.628 -8.313 1.00 2.91 C ATOM 2388 NH1 ARG A 158 -8.812 -25.945 -8.426 1.00 3.75 N ATOM 2389 NH2 ARG A 158 -7.405 -24.119 -8.332 1.00 3.35 N ATOM 0 H ARG A 158 -11.787 -18.094 -6.877 1.00 1.28 H new ATOM 0 HA ARG A 158 -12.883 -20.652 -6.242 1.00 1.51 H new ATOM 0 HB2 ARG A 158 -11.004 -19.883 -7.947 1.00 1.68 H new ATOM 0 HB3 ARG A 158 -9.938 -20.087 -6.570 1.00 1.68 H new ATOM 0 HG2 ARG A 158 -10.950 -22.419 -6.243 1.00 1.75 H new ATOM 0 HG3 ARG A 158 -11.802 -22.197 -7.759 1.00 1.75 H new ATOM 0 HD2 ARG A 158 -9.612 -21.858 -8.934 1.00 1.75 H new ATOM 0 HD3 ARG A 158 -8.766 -22.096 -7.418 1.00 1.75 H new ATOM 0 HE ARG A 158 -10.620 -24.262 -8.227 1.00 2.27 H new ATOM 0 HH11 ARG A 158 -9.753 -26.338 -8.411 1.00 3.75 H new ATOM 0 HH12 ARG A 158 -8.004 -26.559 -8.527 1.00 3.75 H new ATOM 0 HH21 ARG A 158 -7.268 -23.112 -8.245 1.00 3.35 H new ATOM 0 HH22 ARG A 158 -6.600 -24.737 -8.434 1.00 3.35 H new ATOM 2403 N ARG A 159 -11.361 -19.115 -3.847 1.00 1.36 N ATOM 2404 CA ARG A 159 -11.159 -19.232 -2.405 1.00 1.47 C ATOM 2405 C ARG A 159 -12.458 -19.584 -1.685 1.00 1.58 C ATOM 2406 O ARG A 159 -12.381 -20.227 -0.641 1.00 2.06 O ATOM 2407 CB ARG A 159 -10.561 -17.945 -1.827 1.00 1.43 C ATOM 2408 CG ARG A 159 -9.046 -17.930 -2.059 1.00 2.13 C ATOM 2409 CD ARG A 159 -8.464 -16.553 -1.728 1.00 2.56 C ATOM 2410 NE ARG A 159 -7.135 -16.376 -2.334 1.00 3.65 N ATOM 2411 CZ ARG A 159 -5.977 -16.857 -1.863 1.00 4.24 C ATOM 2412 NH1 ARG A 159 -4.850 -16.656 -2.549 1.00 5.45 N ATOM 2413 NH2 ARG A 159 -5.941 -17.538 -0.718 1.00 4.07 N ATOM 0 H ARG A 159 -11.259 -18.171 -4.220 1.00 1.36 H new ATOM 0 HA ARG A 159 -10.452 -20.045 -2.242 1.00 1.47 H new ATOM 0 HB2 ARG A 159 -11.019 -17.076 -2.298 1.00 1.43 H new ATOM 0 HB3 ARG A 159 -10.776 -17.880 -0.760 1.00 1.43 H new ATOM 0 HG2 ARG A 159 -8.570 -18.690 -1.440 1.00 2.13 H new ATOM 0 HG3 ARG A 159 -8.829 -18.183 -3.097 1.00 2.13 H new ATOM 0 HD2 ARG A 159 -9.137 -15.775 -2.088 1.00 2.56 H new ATOM 0 HD3 ARG A 159 -8.392 -16.436 -0.647 1.00 2.56 H new ATOM 0 HE ARG A 159 -7.091 -15.834 -3.197 1.00 3.65 H new ATOM 0 HH11 ARG A 159 -4.873 -16.138 -3.427 1.00 5.45 H new ATOM 0 HH12 ARG A 159 -3.966 -17.020 -2.195 1.00 5.45 H new ATOM 0 HH21 ARG A 159 -6.800 -17.697 -0.192 1.00 4.07 H new ATOM 0 HH22 ARG A 159 -5.054 -17.900 -0.368 1.00 4.07 H new ATOM 2427 N GLU A 160 -13.605 -19.184 -2.240 1.00 1.34 N ATOM 2428 CA GLU A 160 -14.903 -19.219 -1.582 1.00 1.40 C ATOM 2429 C GLU A 160 -14.806 -18.629 -0.170 1.00 2.15 C ATOM 2430 O GLU A 160 -15.521 -19.121 0.730 1.00 2.64 O ATOM 2431 CB GLU A 160 -15.484 -20.641 -1.664 1.00 2.50 C ATOM 2432 CG GLU A 160 -15.729 -21.059 -3.123 1.00 3.63 C ATOM 2433 CD GLU A 160 -16.415 -22.427 -3.233 1.00 5.15 C ATOM 2434 OE1 GLU A 160 -17.668 -22.448 -3.206 1.00 5.50 O ATOM 2435 OE2 GLU A 160 -15.689 -23.436 -3.378 1.00 6.43 O ATOM 0 H GLU A 160 -13.652 -18.816 -3.190 1.00 1.34 H new ATOM 0 HA GLU A 160 -15.619 -18.579 -2.098 1.00 1.40 H new ATOM 0 HB2 GLU A 160 -14.798 -21.344 -1.192 1.00 2.50 H new ATOM 0 HB3 GLU A 160 -16.420 -20.687 -1.108 1.00 2.50 H new ATOM 0 HG2 GLU A 160 -16.345 -20.306 -3.615 1.00 3.63 H new ATOM 0 HG3 GLU A 160 -14.778 -21.089 -3.654 1.00 3.63 H new TER 2442 GLU A 160