USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 1486 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: B 87 ASN : amide:sc= -8.15! C(o=-6!,f=-18!) USER MOD Set 1.2: B 96 LYS NZ :NH3+ -111:sc= 2.19 (180deg=-2.01) USER MOD Set 2.1: A 80 SER OG : rot 69:sc= -0.327 USER MOD Set 2.2: B 80 SER OG : rot 76:sc= -0.275 USER MOD Set 3.1: B 56 GLN :FLIP amide:sc= 0 F(o=-4.3,f=-2.6) USER MOD Set 3.2: B 59 MET CE :methyl -170:sc= -2.59! (180deg=-2.69!) USER MOD Set 4.1: B 28 LYS NZ :NH3+ 165:sc= 0.514 (180deg=0.06) USER MOD Set 4.2: B 65 ASN : amide:sc= -0.165 K(o=0.35,f=-5) USER MOD Set 5.1: A 87 ASN : amide:sc= -7.99! C(o=-5.8!,f=-17!) USER MOD Set 5.2: A 96 LYS NZ :NH3+ -118:sc= 2.23 (180deg=-1.93) USER MOD Set 6.1: A 56 GLN :FLIP amide:sc= 0 F(o=-4.2,f=-2.7) USER MOD Set 6.2: A 59 MET CE :methyl -175:sc= -2.67! (180deg=-2.8!) USER MOD Set 7.1: A 28 LYS NZ :NH3+ 166:sc= 0.508 (180deg=0.0645) USER MOD Set 7.2: A 65 ASN : amide:sc= 0.237 K(o=0.74,f=-4.7) USER MOD Single : A 3 SER OG : rot -19:sc= 0.707 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.268) USER MOD Single : A 12 MET CE :methyl 164:sc=-0.00148 (180deg=-0.228) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 51:sc= -0.127 USER MOD Single : A 17 HIS : no HD1:sc= -2.46 X(o=-2.5,f=-2.5!) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= 1.16 (180deg=0.484) USER MOD Single : A 19 TYR OH : rot 40:sc= 1.22 USER MOD Single : A 20 SER OG : rot 153:sc= 1.89 USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= 2.06 (180deg=-0.94!) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc=-0.00532 (180deg=-0.156) USER MOD Single : A 30 ASN :FLIP amide:sc= -4.07! C(o=-5.9!,f=-4.1!) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0219 (180deg=-0.215) USER MOD Single : A 32 SER OG : rot -106:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 39 THR OG1 : rot -70:sc= 0.443 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.635) USER MOD Single : A 60 SER OG : rot 17:sc= 1.1 USER MOD Single : A 61 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : A 64 SER OG : rot 55:sc= 0.733 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.26 F(o=-3.6!,f=-1.3) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.516 F(o=-3.3!,f=-0.52) USER MOD Single : A 75 TYR OH : rot -35:sc= 1.06 USER MOD Single : A 76 SER OG : rot 25:sc= -0.0158 USER MOD Single : A 81 SER OG : rot 73:sc= 0.973 USER MOD Single : A 84 MET CE :methyl 163:sc= -0.113 (180deg=-0.494) USER MOD Single : A 85 MET CE :methyl -162:sc= -0.0801 (180deg=-0.484) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot -30:sc= 0.713 USER MOD Single : B 7 LYS NZ :NH3+ 157:sc= -0.0157 (180deg=-0.265) USER MOD Single : B 12 MET CE :methyl 164:sc=-0.00173 (180deg=-0.239) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 49:sc= -0.0286 USER MOD Single : B 17 HIS : no HD1:sc= -2.36 X(o=-2.4,f=-2.4!) USER MOD Single : B 18 LYS NZ :NH3+ -165:sc= 1.13 (180deg=0.529) USER MOD Single : B 19 TYR OH : rot 36:sc= 1.21 USER MOD Single : B 20 SER OG : rot 150:sc= 1.9 USER MOD Single : B 22 LYS NZ :NH3+ 141:sc= 1.99 (180deg=-0.983!) USER MOD Single : B 26 LYS NZ :NH3+ -167:sc= -0.021 (180deg=-0.192) USER MOD Single : B 30 ASN :FLIP amide:sc= -4.06! C(o=-6!,f=-4.1!) USER MOD Single : B 31 LYS NZ :NH3+ 163:sc= -0.0248 (180deg=-0.228) USER MOD Single : B 32 SER OG : rot -76:sc= 1.22 USER MOD Single : B 35 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.23) USER MOD Single : B 39 THR OG1 : rot -73:sc= 0.449 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : B 57 LYS NZ :NH3+ 160:sc= -0.165 (180deg=-0.572) USER MOD Single : B 60 SER OG : rot 20:sc= 1.09 USER MOD Single : B 61 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : B 64 SER OG : rot 55:sc= 0.718 USER MOD Single : B 68 ASN :FLIP amide:sc= -1.31 F(o=-3.6!,f=-1.3) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.485 F(o=-3.3!,f=-0.48) USER MOD Single : B 75 TYR OH : rot -37:sc= 1.05 USER MOD Single : B 76 SER OG : rot 25:sc= -0.0159 USER MOD Single : B 81 SER OG : rot 74:sc= 1 USER MOD Single : B 84 MET CE :methyl 163:sc= -0.108 (180deg=-0.494) USER MOD Single : B 85 MET CE :methyl -164:sc= -0.116 (180deg=-0.474) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.163 3.027 12.350 1.00 0.79 N ATOM 31 CA SER A 3 -7.664 3.874 13.436 1.00 0.78 C ATOM 32 C SER A 3 -6.234 4.416 13.135 1.00 0.65 C ATOM 33 O SER A 3 -5.800 4.413 11.985 1.00 0.83 O ATOM 34 CB SER A 3 -7.681 3.008 14.704 1.00 0.97 C ATOM 35 OG SER A 3 -7.412 1.649 14.391 1.00 1.18 O ATOM 0 HA SER A 3 -8.292 4.756 13.557 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.938 3.377 15.411 1.00 0.97 H new ATOM 0 HB3 SER A 3 -8.653 3.088 15.191 1.00 0.97 H new ATOM 0 HG SER A 3 -7.569 1.496 13.436 1.00 1.18 H new ATOM 41 N PRO A 4 -5.499 4.976 14.123 1.00 0.67 N ATOM 42 CA PRO A 4 -4.060 5.260 14.010 1.00 0.62 C ATOM 43 C PRO A 4 -3.247 4.312 13.084 1.00 0.46 C ATOM 44 O PRO A 4 -2.142 4.666 12.673 1.00 0.50 O ATOM 45 CB PRO A 4 -3.591 5.111 15.464 1.00 0.79 C ATOM 46 CG PRO A 4 -4.822 5.260 16.320 1.00 0.96 C ATOM 47 CD PRO A 4 -5.984 5.524 15.395 1.00 0.87 C ATOM 0 HA PRO A 4 -3.898 6.233 13.547 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -3.121 4.141 15.624 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.849 5.870 15.713 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -4.994 4.357 16.905 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -4.701 6.080 17.028 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.894 5.027 15.732 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.211 6.587 15.320 1.00 0.87 H new ATOM 55 N LEU A 5 -3.783 3.131 12.744 1.00 0.36 N ATOM 56 CA LEU A 5 -3.122 2.224 11.802 1.00 0.32 C ATOM 57 C LEU A 5 -3.034 2.861 10.420 1.00 0.30 C ATOM 58 O LEU A 5 -2.044 2.698 9.720 1.00 0.32 O ATOM 59 CB LEU A 5 -3.867 0.886 11.714 1.00 0.31 C ATOM 60 CG LEU A 5 -3.446 -0.047 10.563 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.184 -1.439 11.105 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.514 -0.111 9.463 1.00 0.27 C ATOM 0 H LEU A 5 -4.671 2.784 13.108 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.114 2.035 12.170 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.730 0.354 12.655 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.933 1.092 11.617 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.536 0.357 10.120 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -2.886 -2.097 10.289 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.386 -1.397 11.846 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.091 -1.825 11.570 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.179 -0.779 8.669 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.447 -0.486 9.883 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.675 0.886 9.054 1.00 0.27 H new ATOM 74 N GLU A 6 -4.072 3.593 10.041 1.00 0.34 N ATOM 75 CA GLU A 6 -4.084 4.325 8.780 1.00 0.42 C ATOM 76 C GLU A 6 -2.886 5.246 8.705 1.00 0.33 C ATOM 77 O GLU A 6 -2.040 5.159 7.811 1.00 0.31 O ATOM 78 CB GLU A 6 -5.333 5.180 8.703 1.00 0.62 C ATOM 79 CG GLU A 6 -5.412 5.989 7.436 1.00 1.80 C ATOM 80 CD GLU A 6 -5.240 7.485 7.638 1.00 2.84 C ATOM 81 OE1 GLU A 6 -6.224 8.161 8.013 1.00 3.32 O ATOM 82 OE2 GLU A 6 -4.125 7.996 7.395 1.00 3.61 O ATOM 0 H GLU A 6 -4.924 3.697 10.593 1.00 0.34 H new ATOM 0 HA GLU A 6 -4.058 3.606 7.961 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.211 4.538 8.774 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.360 5.853 9.560 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.646 5.637 6.746 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -6.376 5.807 6.962 1.00 1.80 H new ATOM 89 N LYS A 7 -2.838 6.117 9.688 1.00 0.35 N ATOM 90 CA LYS A 7 -1.784 7.096 9.817 1.00 0.36 C ATOM 91 C LYS A 7 -0.442 6.372 9.996 1.00 0.32 C ATOM 92 O LYS A 7 0.622 6.945 9.778 1.00 0.35 O ATOM 93 CB LYS A 7 -2.063 8.040 11.002 1.00 0.44 C ATOM 94 CG LYS A 7 -3.548 8.225 11.365 1.00 0.63 C ATOM 95 CD LYS A 7 -4.358 9.042 10.349 1.00 0.79 C ATOM 96 CE LYS A 7 -5.761 9.294 10.878 1.00 1.78 C ATOM 97 NZ LYS A 7 -5.763 10.220 12.042 1.00 2.82 N ATOM 0 H LYS A 7 -3.538 6.165 10.428 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.742 7.705 8.914 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -1.537 7.661 11.878 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.638 9.017 10.774 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.008 7.242 11.470 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -3.613 8.713 12.338 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -3.859 9.991 10.154 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -4.410 8.508 9.400 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -6.378 9.711 10.082 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -6.214 8.346 11.169 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -6.720 10.603 12.179 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -5.471 9.704 12.896 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -5.100 11.001 11.865 1.00 2.82 H new ATOM 111 N ALA A 8 -0.511 5.108 10.418 1.00 0.29 N ATOM 112 CA ALA A 8 0.672 4.271 10.591 1.00 0.29 C ATOM 113 C ALA A 8 1.201 3.739 9.260 1.00 0.27 C ATOM 114 O ALA A 8 2.396 3.501 9.127 1.00 0.28 O ATOM 115 CB ALA A 8 0.384 3.117 11.527 1.00 0.32 C ATOM 0 H ALA A 8 -1.387 4.639 10.648 1.00 0.29 H new ATOM 0 HA ALA A 8 1.444 4.904 11.029 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.281 2.508 11.640 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.083 3.504 12.500 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.420 2.507 11.115 1.00 0.32 H new ATOM 121 N LEU A 9 0.331 3.528 8.276 1.00 0.26 N ATOM 122 CA LEU A 9 0.818 3.202 6.931 1.00 0.26 C ATOM 123 C LEU A 9 1.563 4.422 6.406 1.00 0.26 C ATOM 124 O LEU A 9 2.544 4.328 5.674 1.00 0.26 O ATOM 125 CB LEU A 9 -0.312 2.818 5.958 1.00 0.26 C ATOM 126 CG LEU A 9 -1.613 2.345 6.597 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.698 2.188 5.546 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.412 1.039 7.341 1.00 0.27 C ATOM 0 H LEU A 9 -0.683 3.574 8.373 1.00 0.26 H new ATOM 0 HA LEU A 9 1.468 2.330 6.998 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.532 3.681 5.329 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.054 2.030 5.300 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.927 3.102 7.315 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.619 1.850 6.021 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.873 3.147 5.057 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.382 1.455 4.804 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.356 0.725 7.787 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -1.067 0.274 6.646 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.669 1.178 8.126 1.00 0.27 H new ATOM 140 N ASP A 10 1.098 5.584 6.826 1.00 0.27 N ATOM 141 CA ASP A 10 1.825 6.828 6.571 1.00 0.29 C ATOM 142 C ASP A 10 3.165 6.787 7.309 1.00 0.27 C ATOM 143 O ASP A 10 4.186 7.272 6.818 1.00 0.28 O ATOM 144 CB ASP A 10 1.004 8.043 7.018 1.00 0.33 C ATOM 145 CG ASP A 10 1.729 9.358 6.800 1.00 0.38 C ATOM 146 OD1 ASP A 10 2.566 9.734 7.650 1.00 1.18 O ATOM 147 OD2 ASP A 10 1.455 10.030 5.785 1.00 1.16 O ATOM 0 H ASP A 10 0.226 5.699 7.343 1.00 0.27 H new ATOM 0 HA ASP A 10 2.002 6.923 5.500 1.00 0.29 H new ATOM 0 HB2 ASP A 10 0.061 8.059 6.472 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.758 7.940 8.075 1.00 0.33 H new ATOM 152 N VAL A 11 3.154 6.160 8.481 1.00 0.27 N ATOM 153 CA VAL A 11 4.360 5.971 9.270 1.00 0.27 C ATOM 154 C VAL A 11 5.293 4.968 8.592 1.00 0.27 C ATOM 155 O VAL A 11 6.494 4.983 8.823 1.00 0.29 O ATOM 156 CB VAL A 11 4.014 5.498 10.702 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.259 5.094 11.474 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.264 6.585 11.451 1.00 0.31 C ATOM 0 H VAL A 11 2.312 5.772 8.906 1.00 0.27 H new ATOM 0 HA VAL A 11 4.871 6.931 9.340 1.00 0.27 H new ATOM 0 HB VAL A 11 3.376 4.619 10.614 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.977 4.768 12.475 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.761 4.278 10.954 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.934 5.947 11.547 1.00 0.31 H new ATOM 0 HG21 VAL A 11 3.028 6.237 12.457 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.885 7.479 11.513 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.340 6.820 10.922 1.00 0.31 H new ATOM 168 N MET A 12 4.743 4.104 7.743 1.00 0.26 N ATOM 169 CA MET A 12 5.569 3.165 6.991 1.00 0.29 C ATOM 170 C MET A 12 6.379 3.931 5.952 1.00 0.29 C ATOM 171 O MET A 12 7.518 3.578 5.652 1.00 0.34 O ATOM 172 CB MET A 12 4.714 2.064 6.340 1.00 0.32 C ATOM 173 CG MET A 12 4.311 2.325 4.896 1.00 0.98 C ATOM 174 SD MET A 12 3.108 1.124 4.295 1.00 2.23 S ATOM 175 CE MET A 12 2.648 1.859 2.727 1.00 2.75 C ATOM 0 H MET A 12 3.742 4.035 7.560 1.00 0.26 H new ATOM 0 HA MET A 12 6.254 2.665 7.676 1.00 0.29 H new ATOM 0 HB2 MET A 12 5.266 1.125 6.382 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.810 1.929 6.934 1.00 0.32 H new ATOM 0 HG2 MET A 12 3.892 3.328 4.813 1.00 0.98 H new ATOM 0 HG3 MET A 12 5.198 2.296 4.263 1.00 0.98 H new ATOM 0 HE1 MET A 12 2.140 1.116 2.112 1.00 2.75 H new ATOM 0 HE2 MET A 12 1.980 2.703 2.903 1.00 2.75 H new ATOM 0 HE3 MET A 12 3.543 2.206 2.211 1.00 2.75 H new ATOM 185 N VAL A 13 5.789 4.997 5.420 1.00 0.29 N ATOM 186 CA VAL A 13 6.526 5.921 4.558 1.00 0.31 C ATOM 187 C VAL A 13 7.704 6.522 5.342 1.00 0.27 C ATOM 188 O VAL A 13 8.836 6.638 4.847 1.00 0.27 O ATOM 189 CB VAL A 13 5.614 7.059 4.034 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.369 7.969 3.080 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.373 6.494 3.353 1.00 0.42 C ATOM 0 H VAL A 13 4.810 5.243 5.568 1.00 0.29 H new ATOM 0 HA VAL A 13 6.895 5.363 3.697 1.00 0.31 H new ATOM 0 HB VAL A 13 5.297 7.650 4.894 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.705 8.758 2.728 1.00 0.41 H new ATOM 0 HG12 VAL A 13 7.219 8.414 3.598 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.726 7.389 2.229 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.750 7.313 2.994 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.672 5.870 2.511 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.808 5.894 4.066 1.00 0.42 H new ATOM 201 N SER A 14 7.429 6.876 6.588 1.00 0.26 N ATOM 202 CA SER A 14 8.453 7.398 7.479 1.00 0.26 C ATOM 203 C SER A 14 9.471 6.317 7.840 1.00 0.25 C ATOM 204 O SER A 14 10.653 6.609 8.035 1.00 0.26 O ATOM 205 CB SER A 14 7.797 7.964 8.738 1.00 0.31 C ATOM 206 OG SER A 14 6.776 8.890 8.398 1.00 1.18 O ATOM 0 H SER A 14 6.501 6.811 7.006 1.00 0.26 H new ATOM 0 HA SER A 14 8.989 8.196 6.966 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.376 7.152 9.331 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.548 8.454 9.357 1.00 0.31 H new ATOM 0 HG SER A 14 6.366 9.240 9.216 1.00 1.18 H new ATOM 212 N THR A 15 9.007 5.075 7.912 1.00 0.28 N ATOM 213 CA THR A 15 9.880 3.936 8.134 1.00 0.32 C ATOM 214 C THR A 15 10.972 3.914 7.067 1.00 0.28 C ATOM 215 O THR A 15 12.149 3.640 7.339 1.00 0.29 O ATOM 216 CB THR A 15 9.095 2.618 8.082 1.00 0.45 C ATOM 217 OG1 THR A 15 8.040 2.639 9.054 1.00 0.59 O ATOM 218 CG2 THR A 15 10.018 1.443 8.343 1.00 0.93 C ATOM 0 H THR A 15 8.021 4.833 7.818 1.00 0.28 H new ATOM 0 HA THR A 15 10.324 4.035 9.124 1.00 0.32 H new ATOM 0 HB THR A 15 8.662 2.507 7.088 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.519 3.463 8.954 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.447 0.516 8.303 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.801 1.420 7.585 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.471 1.548 9.329 1.00 0.93 H new ATOM 226 N PHE A 16 10.558 4.238 5.849 1.00 0.27 N ATOM 227 CA PHE A 16 11.462 4.318 4.721 1.00 0.27 C ATOM 228 C PHE A 16 12.575 5.311 4.981 1.00 0.29 C ATOM 229 O PHE A 16 13.744 4.928 5.013 1.00 0.37 O ATOM 230 CB PHE A 16 10.700 4.692 3.453 1.00 0.34 C ATOM 231 CG PHE A 16 11.582 4.839 2.251 1.00 0.83 C ATOM 232 CD1 PHE A 16 12.155 6.056 1.942 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.837 3.762 1.434 1.00 1.65 C ATOM 234 CE1 PHE A 16 12.966 6.196 0.839 1.00 2.34 C ATOM 235 CE2 PHE A 16 12.647 3.894 0.329 1.00 2.27 C ATOM 236 CZ PHE A 16 13.211 5.112 0.033 1.00 2.36 C ATOM 0 H PHE A 16 9.587 4.451 5.621 1.00 0.27 H new ATOM 0 HA PHE A 16 11.913 3.336 4.582 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.948 3.929 3.252 1.00 0.34 H new ATOM 0 HB3 PHE A 16 10.168 5.628 3.621 1.00 0.34 H new ATOM 0 HD1 PHE A 16 11.964 6.910 2.575 1.00 1.73 H new ATOM 0 HD2 PHE A 16 11.397 2.802 1.662 1.00 1.65 H new ATOM 0 HE1 PHE A 16 13.408 7.154 0.609 1.00 2.34 H new ATOM 0 HE2 PHE A 16 12.839 3.041 -0.305 1.00 2.27 H new ATOM 0 HZ PHE A 16 13.847 5.216 -0.834 1.00 2.36 H new ATOM 246 N HIS A 17 12.225 6.578 5.199 1.00 0.30 N ATOM 247 CA HIS A 17 13.258 7.608 5.354 1.00 0.40 C ATOM 248 C HIS A 17 14.144 7.329 6.571 1.00 0.36 C ATOM 249 O HIS A 17 15.247 7.868 6.684 1.00 0.42 O ATOM 250 CB HIS A 17 12.659 9.027 5.405 1.00 0.59 C ATOM 251 CG HIS A 17 11.907 9.401 6.657 1.00 0.81 C ATOM 252 ND1 HIS A 17 10.614 9.880 6.636 1.00 1.53 N ATOM 253 CD2 HIS A 17 12.291 9.437 7.958 1.00 1.78 C ATOM 254 CE1 HIS A 17 10.242 10.196 7.862 1.00 2.03 C ATOM 255 NE2 HIS A 17 11.239 9.936 8.681 1.00 2.20 N ATOM 0 H HIS A 17 11.264 6.912 5.271 1.00 0.30 H new ATOM 0 HA HIS A 17 13.890 7.563 4.467 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.469 9.743 5.268 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.985 9.142 4.556 1.00 0.59 H new ATOM 0 HD2 HIS A 17 13.249 9.129 8.351 1.00 1.78 H new ATOM 0 HE1 HIS A 17 9.281 10.600 8.146 1.00 2.03 H new ATOM 0 HE2 HIS A 17 11.230 10.082 9.690 1.00 2.20 H new ATOM 264 N LYS A 18 13.657 6.477 7.463 1.00 0.34 N ATOM 265 CA LYS A 18 14.429 6.039 8.616 1.00 0.39 C ATOM 266 C LYS A 18 15.636 5.208 8.177 1.00 0.37 C ATOM 267 O LYS A 18 16.752 5.426 8.646 1.00 0.47 O ATOM 268 CB LYS A 18 13.537 5.222 9.554 1.00 0.43 C ATOM 269 CG LYS A 18 14.293 4.494 10.655 1.00 0.55 C ATOM 270 CD LYS A 18 13.350 3.696 11.548 1.00 0.73 C ATOM 271 CE LYS A 18 12.547 2.683 10.746 1.00 0.80 C ATOM 272 NZ LYS A 18 11.803 1.732 11.613 1.00 1.28 N ATOM 0 H LYS A 18 12.722 6.073 7.408 1.00 0.34 H new ATOM 0 HA LYS A 18 14.797 6.918 9.145 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.804 5.887 10.010 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.982 4.492 8.965 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.029 3.824 10.210 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.843 5.216 11.259 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.925 3.180 12.317 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.670 4.376 12.061 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.843 3.210 10.102 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.219 2.125 10.094 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.572 0.875 11.070 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.391 1.475 12.431 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.924 2.179 11.945 1.00 1.28 H new ATOM 286 N TYR A 19 15.404 4.265 7.269 1.00 0.29 N ATOM 287 CA TYR A 19 16.471 3.390 6.785 1.00 0.29 C ATOM 288 C TYR A 19 17.238 4.004 5.622 1.00 0.33 C ATOM 289 O TYR A 19 18.446 3.814 5.505 1.00 0.44 O ATOM 290 CB TYR A 19 15.916 2.033 6.376 1.00 0.31 C ATOM 291 CG TYR A 19 15.687 1.095 7.535 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.508 1.134 8.260 1.00 1.28 C ATOM 293 CD2 TYR A 19 16.654 0.169 7.906 1.00 1.23 C ATOM 294 CE1 TYR A 19 14.299 0.277 9.319 1.00 1.35 C ATOM 295 CE2 TYR A 19 16.450 -0.690 8.967 1.00 1.26 C ATOM 296 CZ TYR A 19 15.268 -0.630 9.670 1.00 0.62 C ATOM 297 OH TYR A 19 15.050 -1.478 10.730 1.00 0.79 O ATOM 0 H TYR A 19 14.490 4.086 6.853 1.00 0.29 H new ATOM 0 HA TYR A 19 17.168 3.260 7.613 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.974 2.180 5.848 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.606 1.566 5.673 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.741 1.846 7.992 1.00 1.28 H new ATOM 0 HD2 TYR A 19 17.581 0.120 7.355 1.00 1.23 H new ATOM 0 HE1 TYR A 19 13.373 0.319 9.873 1.00 1.35 H new ATOM 0 HE2 TYR A 19 17.212 -1.404 9.244 1.00 1.26 H new ATOM 0 HH TYR A 19 14.122 -1.793 10.711 1.00 0.79 H new ATOM 307 N SER A 20 16.544 4.724 4.757 1.00 0.29 N ATOM 308 CA SER A 20 17.179 5.348 3.608 1.00 0.32 C ATOM 309 C SER A 20 18.264 6.316 4.050 1.00 0.40 C ATOM 310 O SER A 20 19.419 6.196 3.645 1.00 0.60 O ATOM 311 CB SER A 20 16.126 6.069 2.779 1.00 0.35 C ATOM 312 OG SER A 20 15.047 5.203 2.518 1.00 0.86 O ATOM 0 H SER A 20 15.540 4.891 4.828 1.00 0.29 H new ATOM 0 HA SER A 20 17.649 4.575 3.000 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.774 6.953 3.311 1.00 0.35 H new ATOM 0 HB3 SER A 20 16.562 6.414 1.841 1.00 0.35 H new ATOM 0 HG SER A 20 14.231 5.729 2.384 1.00 0.86 H new ATOM 318 N GLY A 21 17.907 7.233 4.936 1.00 0.37 N ATOM 319 CA GLY A 21 18.831 8.280 5.319 1.00 0.43 C ATOM 320 C GLY A 21 19.877 7.828 6.320 1.00 0.41 C ATOM 321 O GLY A 21 20.317 8.611 7.162 1.00 0.46 O ATOM 0 H GLY A 21 16.997 7.271 5.395 1.00 0.37 H new ATOM 0 HA2 GLY A 21 19.332 8.656 4.427 1.00 0.43 H new ATOM 0 HA3 GLY A 21 18.269 9.112 5.743 1.00 0.43 H new ATOM 325 N LYS A 22 20.277 6.566 6.238 1.00 0.40 N ATOM 326 CA LYS A 22 21.355 6.064 7.072 1.00 0.46 C ATOM 327 C LYS A 22 22.648 6.041 6.267 1.00 0.52 C ATOM 328 O LYS A 22 23.704 6.473 6.735 1.00 0.65 O ATOM 329 CB LYS A 22 21.059 4.660 7.582 1.00 0.47 C ATOM 330 CG LYS A 22 19.704 4.496 8.237 1.00 0.60 C ATOM 331 CD LYS A 22 19.477 3.065 8.714 1.00 0.56 C ATOM 332 CE LYS A 22 19.782 2.029 7.630 1.00 0.49 C ATOM 333 NZ LYS A 22 21.125 1.423 7.819 1.00 1.08 N ATOM 0 H LYS A 22 19.872 5.876 5.605 1.00 0.40 H new ATOM 0 HA LYS A 22 21.453 6.726 7.932 1.00 0.46 H new ATOM 0 HB2 LYS A 22 21.130 3.963 6.747 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.830 4.379 8.299 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.624 5.179 9.083 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.922 4.772 7.530 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.105 2.872 9.583 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.442 2.953 9.037 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.023 1.247 7.649 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.729 2.501 6.649 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.090 0.415 7.564 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.814 1.910 7.211 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.412 1.519 8.814 1.00 1.08 H new ATOM 347 N GLU A 23 22.537 5.539 5.045 1.00 0.47 N ATOM 348 CA GLU A 23 23.655 5.437 4.124 1.00 0.55 C ATOM 349 C GLU A 23 23.140 5.635 2.703 1.00 0.58 C ATOM 350 O GLU A 23 21.978 5.349 2.428 1.00 0.64 O ATOM 351 CB GLU A 23 24.332 4.066 4.271 1.00 0.67 C ATOM 352 CG GLU A 23 25.469 3.814 3.293 1.00 1.15 C ATOM 353 CD GLU A 23 26.612 4.794 3.456 1.00 1.59 C ATOM 354 OE1 GLU A 23 27.530 4.516 4.253 1.00 2.38 O ATOM 355 OE2 GLU A 23 26.603 5.846 2.779 1.00 1.96 O ATOM 0 H GLU A 23 21.658 5.188 4.664 1.00 0.47 H new ATOM 0 HA GLU A 23 24.395 6.205 4.348 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.716 3.972 5.287 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.580 3.288 4.142 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.844 2.800 3.432 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.086 3.876 2.274 1.00 1.15 H new ATOM 362 N GLY A 24 23.989 6.136 1.818 1.00 0.72 N ATOM 363 CA GLY A 24 23.579 6.369 0.448 1.00 0.85 C ATOM 364 C GLY A 24 22.604 7.522 0.325 1.00 0.79 C ATOM 365 O GLY A 24 22.841 8.604 0.868 1.00 0.92 O ATOM 0 H GLY A 24 24.956 6.386 2.024 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.459 6.574 -0.162 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.119 5.464 0.050 1.00 0.85 H new ATOM 369 N ASP A 25 21.505 7.293 -0.375 1.00 0.71 N ATOM 370 CA ASP A 25 20.500 8.329 -0.585 1.00 0.70 C ATOM 371 C ASP A 25 19.581 8.430 0.617 1.00 0.73 C ATOM 372 O ASP A 25 19.383 7.459 1.330 1.00 1.34 O ATOM 373 CB ASP A 25 19.645 8.001 -1.797 1.00 0.73 C ATOM 374 CG ASP A 25 19.173 9.238 -2.532 1.00 1.04 C ATOM 375 OD1 ASP A 25 18.138 9.812 -2.139 1.00 1.65 O ATOM 376 OD2 ASP A 25 19.840 9.640 -3.507 1.00 1.75 O ATOM 0 H ASP A 25 21.283 6.397 -0.810 1.00 0.71 H new ATOM 0 HA ASP A 25 21.026 9.271 -0.737 1.00 0.70 H new ATOM 0 HB2 ASP A 25 20.217 7.373 -2.481 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.779 7.420 -1.479 1.00 0.73 H new ATOM 381 N LYS A 26 19.005 9.600 0.826 1.00 0.61 N ATOM 382 CA LYS A 26 18.072 9.802 1.923 1.00 0.56 C ATOM 383 C LYS A 26 16.640 9.611 1.430 1.00 0.49 C ATOM 384 O LYS A 26 15.687 9.642 2.205 1.00 0.55 O ATOM 385 CB LYS A 26 18.262 11.205 2.501 1.00 0.71 C ATOM 386 CG LYS A 26 18.237 11.260 4.013 1.00 1.03 C ATOM 387 CD LYS A 26 16.852 11.020 4.599 1.00 0.70 C ATOM 388 CE LYS A 26 15.874 12.134 4.239 1.00 0.94 C ATOM 389 NZ LYS A 26 16.277 13.446 4.812 1.00 1.56 N ATOM 0 H LYS A 26 19.166 10.427 0.251 1.00 0.61 H new ATOM 0 HA LYS A 26 18.265 9.070 2.707 1.00 0.56 H new ATOM 0 HB2 LYS A 26 19.213 11.605 2.149 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.479 11.856 2.112 1.00 0.71 H new ATOM 0 HG2 LYS A 26 18.926 10.514 4.409 1.00 1.03 H new ATOM 0 HG3 LYS A 26 18.599 12.234 4.341 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.465 10.068 4.236 1.00 0.70 H new ATOM 0 HD3 LYS A 26 16.927 10.941 5.684 1.00 0.70 H new ATOM 0 HE2 LYS A 26 15.807 12.219 3.154 1.00 0.94 H new ATOM 0 HE3 LYS A 26 14.880 11.872 4.600 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.492 14.122 4.718 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 16.513 13.328 5.818 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 17.108 13.807 4.301 1.00 1.56 H new ATOM 403 N PHE A 27 16.505 9.397 0.133 1.00 0.45 N ATOM 404 CA PHE A 27 15.202 9.228 -0.486 1.00 0.44 C ATOM 405 C PHE A 27 15.142 7.902 -1.225 1.00 0.40 C ATOM 406 O PHE A 27 14.153 7.598 -1.892 1.00 0.40 O ATOM 407 CB PHE A 27 14.905 10.376 -1.460 1.00 0.50 C ATOM 408 CG PHE A 27 14.690 11.712 -0.802 1.00 0.78 C ATOM 409 CD1 PHE A 27 15.766 12.482 -0.392 1.00 1.76 C ATOM 410 CD2 PHE A 27 13.408 12.200 -0.602 1.00 1.28 C ATOM 411 CE1 PHE A 27 15.567 13.711 0.208 1.00 2.09 C ATOM 412 CE2 PHE A 27 13.204 13.426 -0.002 1.00 1.59 C ATOM 413 CZ PHE A 27 14.285 14.183 0.403 1.00 1.65 C ATOM 0 H PHE A 27 17.289 9.336 -0.517 1.00 0.45 H new ATOM 0 HA PHE A 27 14.449 9.237 0.302 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.732 10.461 -2.165 1.00 0.50 H new ATOM 0 HB3 PHE A 27 14.017 10.123 -2.040 1.00 0.50 H new ATOM 0 HD1 PHE A 27 16.772 12.118 -0.543 1.00 1.76 H new ATOM 0 HD2 PHE A 27 12.558 11.614 -0.920 1.00 1.28 H new ATOM 0 HE1 PHE A 27 16.414 14.302 0.524 1.00 2.09 H new ATOM 0 HE2 PHE A 27 12.200 13.793 0.151 1.00 1.59 H new ATOM 0 HZ PHE A 27 14.128 15.143 0.872 1.00 1.65 H new ATOM 423 N LYS A 28 16.205 7.115 -1.093 1.00 0.39 N ATOM 424 CA LYS A 28 16.315 5.846 -1.787 1.00 0.36 C ATOM 425 C LYS A 28 17.133 4.857 -0.979 1.00 0.34 C ATOM 426 O LYS A 28 18.118 5.215 -0.335 1.00 0.38 O ATOM 427 CB LYS A 28 16.930 6.010 -3.178 1.00 0.40 C ATOM 428 CG LYS A 28 16.042 6.735 -4.170 1.00 0.49 C ATOM 429 CD LYS A 28 16.592 6.626 -5.577 1.00 0.56 C ATOM 430 CE LYS A 28 15.717 7.370 -6.569 1.00 0.86 C ATOM 431 NZ LYS A 28 16.241 7.280 -7.956 1.00 1.70 N ATOM 0 H LYS A 28 17.007 7.341 -0.505 1.00 0.39 H new ATOM 0 HA LYS A 28 15.303 5.460 -1.906 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.870 6.553 -3.085 1.00 0.40 H new ATOM 0 HB3 LYS A 28 17.169 5.024 -3.575 1.00 0.40 H new ATOM 0 HG2 LYS A 28 15.036 6.316 -4.136 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.960 7.785 -3.889 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.604 7.030 -5.607 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.659 5.576 -5.863 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.707 6.962 -6.537 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.648 8.418 -6.276 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 15.507 7.589 -8.625 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 17.077 7.892 -8.052 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 16.507 6.296 -8.164 1.00 1.70 H new ATOM 445 N LEU A 29 16.699 3.615 -1.017 1.00 0.31 N ATOM 446 CA LEU A 29 17.347 2.542 -0.301 1.00 0.28 C ATOM 447 C LEU A 29 18.322 1.814 -1.192 1.00 0.31 C ATOM 448 O LEU A 29 17.930 1.069 -2.091 1.00 0.33 O ATOM 449 CB LEU A 29 16.315 1.546 0.206 1.00 0.26 C ATOM 450 CG LEU A 29 15.367 2.076 1.261 1.00 0.26 C ATOM 451 CD1 LEU A 29 14.160 1.174 1.357 1.00 0.28 C ATOM 452 CD2 LEU A 29 16.075 2.160 2.602 1.00 0.25 C ATOM 0 H LEU A 29 15.880 3.322 -1.550 1.00 0.31 H new ATOM 0 HA LEU A 29 17.883 2.982 0.540 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.728 1.193 -0.642 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.839 0.681 0.613 1.00 0.26 H new ATOM 0 HG LEU A 29 15.038 3.077 0.981 1.00 0.26 H new ATOM 0 HD11 LEU A 29 13.479 1.557 2.117 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.650 1.145 0.394 1.00 0.28 H new ATOM 0 HD13 LEU A 29 14.478 0.168 1.629 1.00 0.28 H new ATOM 0 HD21 LEU A 29 15.385 2.542 3.354 1.00 0.25 H new ATOM 0 HD22 LEU A 29 16.418 1.168 2.895 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.931 2.830 2.520 1.00 0.25 H new ATOM 464 N ASN A 30 19.583 2.022 -0.919 1.00 0.32 N ATOM 465 CA ASN A 30 20.643 1.256 -1.531 1.00 0.36 C ATOM 466 C ASN A 30 20.569 -0.154 -0.992 1.00 0.33 C ATOM 467 O ASN A 30 19.912 -0.373 0.025 1.00 0.30 O ATOM 468 CB ASN A 30 21.983 1.913 -1.211 1.00 0.42 C ATOM 469 CG ASN A 30 22.103 2.267 0.260 1.00 0.44 C ATOM 470 OD1 ASN A 30 21.455 3.360 0.663 1.00 0.56 O flip ATOM 471 ND2 ASN A 30 22.724 1.542 1.037 1.00 0.43 N flip ATOM 0 H ASN A 30 19.908 2.731 -0.262 1.00 0.32 H new ATOM 0 HA ASN A 30 20.539 1.225 -2.616 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.793 1.239 -1.489 1.00 0.42 H new ATOM 0 HB3 ASN A 30 22.098 2.815 -1.812 1.00 0.42 H new ATOM 0 HD21 ASN A 30 23.206 0.714 0.687 1.00 0.43 H new ATOM 0 HD22 ASN A 30 22.756 1.769 2.031 1.00 0.43 H new ATOM 478 N LYS A 31 21.210 -1.103 -1.660 1.00 0.35 N ATOM 479 CA LYS A 31 21.050 -2.509 -1.301 1.00 0.34 C ATOM 480 C LYS A 31 21.251 -2.725 0.194 1.00 0.31 C ATOM 481 O LYS A 31 20.525 -3.490 0.823 1.00 0.31 O ATOM 482 CB LYS A 31 22.054 -3.401 -2.017 1.00 0.41 C ATOM 483 CG LYS A 31 21.939 -3.466 -3.524 1.00 0.68 C ATOM 484 CD LYS A 31 22.787 -4.618 -4.043 1.00 0.71 C ATOM 485 CE LYS A 31 23.152 -4.458 -5.509 1.00 1.15 C ATOM 486 NZ LYS A 31 24.089 -3.324 -5.733 1.00 1.99 N ATOM 0 H LYS A 31 21.839 -0.931 -2.444 1.00 0.35 H new ATOM 0 HA LYS A 31 20.036 -2.774 -1.599 1.00 0.34 H new ATOM 0 HB2 LYS A 31 23.057 -3.057 -1.765 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.955 -4.412 -1.623 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.898 -3.605 -3.815 1.00 0.68 H new ATOM 0 HG3 LYS A 31 22.271 -2.527 -3.967 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.699 -4.689 -3.451 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.245 -5.554 -3.907 1.00 0.71 H new ATOM 0 HE2 LYS A 31 23.607 -5.380 -5.871 1.00 1.15 H new ATOM 0 HE3 LYS A 31 22.245 -4.299 -6.092 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 24.533 -3.420 -6.668 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.565 -2.427 -5.689 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 24.825 -3.331 -4.998 1.00 1.99 H new ATOM 500 N SER A 32 22.250 -2.044 0.739 1.00 0.34 N ATOM 501 CA SER A 32 22.603 -2.163 2.143 1.00 0.37 C ATOM 502 C SER A 32 21.412 -1.829 3.029 1.00 0.34 C ATOM 503 O SER A 32 20.967 -2.652 3.836 1.00 0.38 O ATOM 504 CB SER A 32 23.775 -1.228 2.454 1.00 0.45 C ATOM 505 OG SER A 32 24.108 -1.250 3.829 1.00 1.33 O ATOM 0 H SER A 32 22.838 -1.393 0.218 1.00 0.34 H new ATOM 0 HA SER A 32 22.897 -3.193 2.347 1.00 0.37 H new ATOM 0 HB2 SER A 32 24.643 -1.523 1.864 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.519 -0.211 2.157 1.00 0.45 H new ATOM 0 HG SER A 32 23.795 -0.424 4.255 1.00 1.33 H new ATOM 511 N GLU A 33 20.884 -0.630 2.855 1.00 0.32 N ATOM 512 CA GLU A 33 19.792 -0.162 3.683 1.00 0.35 C ATOM 513 C GLU A 33 18.515 -0.925 3.338 1.00 0.30 C ATOM 514 O GLU A 33 17.688 -1.195 4.211 1.00 0.32 O ATOM 515 CB GLU A 33 19.568 1.338 3.497 1.00 0.45 C ATOM 516 CG GLU A 33 20.780 2.252 3.742 1.00 0.59 C ATOM 517 CD GLU A 33 21.824 1.761 4.738 1.00 1.50 C ATOM 518 OE1 GLU A 33 22.455 0.711 4.524 1.00 2.32 O ATOM 519 OE2 GLU A 33 22.057 2.475 5.728 1.00 2.15 O ATOM 0 H GLU A 33 21.195 0.035 2.147 1.00 0.32 H new ATOM 0 HA GLU A 33 20.052 -0.342 4.726 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.215 1.506 2.479 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.767 1.648 4.168 1.00 0.45 H new ATOM 0 HG2 GLU A 33 21.276 2.421 2.786 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.412 3.219 4.085 1.00 0.59 H new ATOM 526 N LEU A 34 18.367 -1.267 2.054 1.00 0.30 N ATOM 527 CA LEU A 34 17.243 -2.065 1.584 1.00 0.33 C ATOM 528 C LEU A 34 17.197 -3.389 2.339 1.00 0.29 C ATOM 529 O LEU A 34 16.151 -3.789 2.838 1.00 0.30 O ATOM 530 CB LEU A 34 17.373 -2.326 0.079 1.00 0.50 C ATOM 531 CG LEU A 34 16.187 -3.046 -0.564 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.999 -2.106 -0.654 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.558 -3.588 -1.940 1.00 0.55 C ATOM 0 H LEU A 34 19.022 -0.998 1.320 1.00 0.30 H new ATOM 0 HA LEU A 34 16.319 -1.516 1.767 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.516 -1.371 -0.428 1.00 0.50 H new ATOM 0 HB3 LEU A 34 18.273 -2.916 -0.094 1.00 0.50 H new ATOM 0 HG LEU A 34 15.914 -3.896 0.062 1.00 0.51 H new ATOM 0 HD11 LEU A 34 14.158 -2.626 -1.113 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.719 -1.776 0.347 1.00 1.01 H new ATOM 0 HD13 LEU A 34 15.265 -1.240 -1.260 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.697 -4.095 -2.375 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.859 -2.764 -2.587 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.384 -4.293 -1.843 1.00 0.55 H new ATOM 545 N LYS A 35 18.348 -4.056 2.422 1.00 0.29 N ATOM 546 CA LYS A 35 18.473 -5.301 3.175 1.00 0.29 C ATOM 547 C LYS A 35 17.935 -5.155 4.587 1.00 0.29 C ATOM 548 O LYS A 35 17.049 -5.904 5.005 1.00 0.31 O ATOM 549 CB LYS A 35 19.933 -5.745 3.255 1.00 0.32 C ATOM 550 CG LYS A 35 20.422 -6.496 2.032 1.00 0.39 C ATOM 551 CD LYS A 35 21.910 -6.787 2.126 1.00 0.52 C ATOM 552 CE LYS A 35 22.325 -7.915 1.194 1.00 0.70 C ATOM 553 NZ LYS A 35 23.796 -8.141 1.232 1.00 1.29 N ATOM 0 H LYS A 35 19.212 -3.751 1.973 1.00 0.29 H new ATOM 0 HA LYS A 35 17.886 -6.050 2.644 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.561 -4.866 3.403 1.00 0.32 H new ATOM 0 HB3 LYS A 35 20.061 -6.379 4.132 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.871 -7.431 1.932 1.00 0.39 H new ATOM 0 HG3 LYS A 35 20.219 -5.909 1.136 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.473 -5.887 1.880 1.00 0.52 H new ATOM 0 HD3 LYS A 35 22.165 -7.051 3.152 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.808 -8.832 1.477 1.00 0.70 H new ATOM 0 HE3 LYS A 35 22.018 -7.678 0.175 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 24.045 -8.917 0.585 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 24.288 -7.273 0.938 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 24.084 -8.391 2.200 1.00 1.29 H new ATOM 567 N GLU A 36 18.471 -4.189 5.317 1.00 0.29 N ATOM 568 CA GLU A 36 18.102 -3.995 6.710 1.00 0.32 C ATOM 569 C GLU A 36 16.627 -3.692 6.843 1.00 0.31 C ATOM 570 O GLU A 36 15.949 -4.245 7.700 1.00 0.39 O ATOM 571 CB GLU A 36 18.909 -2.866 7.327 1.00 0.36 C ATOM 572 CG GLU A 36 20.395 -3.062 7.174 1.00 0.37 C ATOM 573 CD GLU A 36 21.195 -1.991 7.881 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.359 -2.078 9.117 1.00 1.31 O ATOM 575 OE2 GLU A 36 21.656 -1.052 7.213 1.00 1.14 O ATOM 0 H GLU A 36 19.164 -3.527 4.967 1.00 0.29 H new ATOM 0 HA GLU A 36 18.320 -4.922 7.240 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.621 -1.923 6.862 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.664 -2.787 8.386 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.672 -4.039 7.570 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.651 -3.063 6.115 1.00 0.37 H new ATOM 582 N LEU A 37 16.135 -2.815 5.992 1.00 0.27 N ATOM 583 CA LEU A 37 14.735 -2.451 6.017 1.00 0.26 C ATOM 584 C LEU A 37 13.864 -3.672 5.720 1.00 0.27 C ATOM 585 O LEU A 37 12.900 -3.926 6.414 1.00 0.31 O ATOM 586 CB LEU A 37 14.474 -1.326 5.012 1.00 0.24 C ATOM 587 CG LEU A 37 13.327 -0.381 5.376 1.00 0.31 C ATOM 588 CD1 LEU A 37 13.384 0.879 4.542 1.00 0.29 C ATOM 589 CD2 LEU A 37 12.001 -1.054 5.159 1.00 0.50 C ATOM 0 H LEU A 37 16.685 -2.342 5.275 1.00 0.27 H new ATOM 0 HA LEU A 37 14.474 -2.090 7.012 1.00 0.26 H new ATOM 0 HB2 LEU A 37 15.386 -0.739 4.903 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.262 -1.771 4.040 1.00 0.24 H new ATOM 0 HG LEU A 37 13.434 -0.119 6.429 1.00 0.31 H new ATOM 0 HD11 LEU A 37 12.559 1.536 4.818 1.00 0.29 H new ATOM 0 HD12 LEU A 37 14.330 1.390 4.720 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.304 0.620 3.486 1.00 0.29 H new ATOM 0 HD21 LEU A 37 11.197 -0.367 5.423 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.905 -1.340 4.111 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.938 -1.944 5.785 1.00 0.50 H new ATOM 601 N LEU A 38 14.218 -4.445 4.712 1.00 0.27 N ATOM 602 CA LEU A 38 13.442 -5.632 4.370 1.00 0.29 C ATOM 603 C LEU A 38 13.459 -6.658 5.502 1.00 0.31 C ATOM 604 O LEU A 38 12.414 -7.073 5.983 1.00 0.40 O ATOM 605 CB LEU A 38 13.968 -6.260 3.083 1.00 0.32 C ATOM 606 CG LEU A 38 13.240 -5.845 1.802 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.769 -6.210 1.886 1.00 0.31 C ATOM 608 CD2 LEU A 38 13.396 -4.356 1.545 1.00 0.43 C ATOM 0 H LEU A 38 15.030 -4.279 4.117 1.00 0.27 H new ATOM 0 HA LEU A 38 12.409 -5.319 4.217 1.00 0.29 H new ATOM 0 HB2 LEU A 38 15.023 -6.005 2.980 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.910 -7.344 3.178 1.00 0.32 H new ATOM 0 HG LEU A 38 13.690 -6.385 0.969 1.00 0.34 H new ATOM 0 HD11 LEU A 38 11.266 -5.908 0.967 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.668 -7.287 2.018 1.00 0.31 H new ATOM 0 HD13 LEU A 38 11.315 -5.697 2.734 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.869 -4.088 0.629 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.977 -3.797 2.382 1.00 0.43 H new ATOM 0 HD23 LEU A 38 14.454 -4.114 1.440 1.00 0.43 H new ATOM 620 N THR A 39 14.648 -7.076 5.902 1.00 0.32 N ATOM 621 CA THR A 39 14.816 -7.995 7.029 1.00 0.33 C ATOM 622 C THR A 39 14.063 -7.551 8.291 1.00 0.34 C ATOM 623 O THR A 39 13.391 -8.352 8.944 1.00 0.38 O ATOM 624 CB THR A 39 16.304 -8.136 7.392 1.00 0.33 C ATOM 625 OG1 THR A 39 16.869 -6.852 7.676 1.00 0.32 O ATOM 626 CG2 THR A 39 17.088 -8.769 6.259 1.00 0.35 C ATOM 0 H THR A 39 15.523 -6.793 5.461 1.00 0.32 H new ATOM 0 HA THR A 39 14.399 -8.946 6.697 1.00 0.33 H new ATOM 0 HB THR A 39 16.366 -8.776 8.272 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.934 -6.333 6.848 1.00 0.32 H new ATOM 0 HG21 THR A 39 18.136 -8.855 6.546 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.687 -9.760 6.048 1.00 0.35 H new ATOM 0 HG23 THR A 39 17.006 -8.147 5.368 1.00 0.35 H new ATOM 634 N ARG A 40 14.196 -6.280 8.627 1.00 0.34 N ATOM 635 CA ARG A 40 13.706 -5.743 9.894 1.00 0.37 C ATOM 636 C ARG A 40 12.269 -5.269 9.818 1.00 0.40 C ATOM 637 O ARG A 40 11.505 -5.443 10.768 1.00 0.47 O ATOM 638 CB ARG A 40 14.624 -4.607 10.324 1.00 0.37 C ATOM 639 CG ARG A 40 15.888 -5.086 11.008 1.00 0.63 C ATOM 640 CD ARG A 40 16.885 -3.958 11.155 1.00 0.56 C ATOM 641 NE ARG A 40 18.176 -4.421 11.651 1.00 1.16 N ATOM 642 CZ ARG A 40 19.328 -3.831 11.353 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.332 -2.725 10.626 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.469 -4.336 11.798 1.00 2.31 N ATOM 0 H ARG A 40 14.647 -5.586 8.031 1.00 0.34 H new ATOM 0 HA ARG A 40 13.718 -6.546 10.631 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.894 -4.016 9.449 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.081 -3.946 11.000 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.643 -5.490 11.990 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.333 -5.897 10.431 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.023 -3.470 10.190 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.484 -3.208 11.837 1.00 0.56 H new ATOM 0 HE ARG A 40 18.195 -5.240 12.258 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.452 -2.328 10.296 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.215 -2.269 10.395 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.464 -5.180 12.371 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.352 -3.881 11.568 1.00 2.31 H new ATOM 658 N GLU A 41 11.903 -4.671 8.707 1.00 0.40 N ATOM 659 CA GLU A 41 10.587 -4.094 8.565 1.00 0.46 C ATOM 660 C GLU A 41 9.655 -5.026 7.794 1.00 0.54 C ATOM 661 O GLU A 41 8.453 -4.827 7.773 1.00 0.85 O ATOM 662 CB GLU A 41 10.690 -2.752 7.859 1.00 0.52 C ATOM 663 CG GLU A 41 11.810 -1.849 8.384 1.00 0.53 C ATOM 664 CD GLU A 41 11.761 -1.582 9.880 1.00 0.51 C ATOM 665 OE1 GLU A 41 11.042 -0.655 10.309 1.00 1.02 O ATOM 666 OE2 GLU A 41 12.482 -2.266 10.635 1.00 1.30 O ATOM 0 H GLU A 41 12.501 -4.572 7.887 1.00 0.40 H new ATOM 0 HA GLU A 41 10.166 -3.949 9.560 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.848 -2.926 6.795 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.739 -2.228 7.959 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.770 -2.305 8.141 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.767 -0.896 7.857 1.00 0.53 H new ATOM 673 N LEU A 42 10.197 -6.031 7.141 1.00 0.40 N ATOM 674 CA LEU A 42 9.356 -7.075 6.570 1.00 0.41 C ATOM 675 C LEU A 42 9.789 -8.469 7.022 1.00 0.37 C ATOM 676 O LEU A 42 10.117 -9.319 6.194 1.00 0.36 O ATOM 677 CB LEU A 42 9.328 -6.979 5.040 1.00 0.44 C ATOM 678 CG LEU A 42 8.250 -6.046 4.480 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.513 -5.704 3.041 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.884 -6.675 4.578 1.00 0.74 C ATOM 0 H LEU A 42 11.199 -6.152 6.991 1.00 0.40 H new ATOM 0 HA LEU A 42 8.344 -6.915 6.943 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.303 -6.637 4.693 1.00 0.44 H new ATOM 0 HB3 LEU A 42 9.176 -7.977 4.629 1.00 0.44 H new ATOM 0 HG LEU A 42 8.281 -5.137 5.080 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.729 -5.041 2.676 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.479 -5.206 2.956 1.00 0.65 H new ATOM 0 HD13 LEU A 42 8.522 -6.617 2.446 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.138 -5.991 4.173 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.870 -7.605 4.009 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.654 -6.885 5.623 1.00 0.74 H new ATOM 692 N PRO A 43 9.803 -8.727 8.351 1.00 0.40 N ATOM 693 CA PRO A 43 10.066 -10.057 8.895 1.00 0.44 C ATOM 694 C PRO A 43 9.187 -11.125 8.282 1.00 0.45 C ATOM 695 O PRO A 43 9.645 -12.218 7.983 1.00 0.49 O ATOM 696 CB PRO A 43 9.714 -9.914 10.364 1.00 0.51 C ATOM 697 CG PRO A 43 9.985 -8.491 10.674 1.00 0.48 C ATOM 698 CD PRO A 43 9.611 -7.737 9.431 1.00 0.44 C ATOM 0 HA PRO A 43 11.093 -10.366 8.698 1.00 0.44 H new ATOM 0 HB2 PRO A 43 8.670 -10.169 10.549 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.318 -10.577 10.983 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.398 -8.156 11.529 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.034 -8.336 10.927 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.581 -7.383 9.472 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.243 -6.861 9.288 1.00 0.44 H new ATOM 706 N SER A 44 7.921 -10.814 8.094 1.00 0.45 N ATOM 707 CA SER A 44 7.010 -11.786 7.549 1.00 0.47 C ATOM 708 C SER A 44 7.342 -12.002 6.084 1.00 0.44 C ATOM 709 O SER A 44 7.738 -13.102 5.663 1.00 0.45 O ATOM 710 CB SER A 44 5.572 -11.302 7.706 1.00 0.51 C ATOM 711 OG SER A 44 4.639 -12.271 7.266 1.00 0.59 O ATOM 0 H SER A 44 7.508 -9.906 8.309 1.00 0.45 H new ATOM 0 HA SER A 44 7.111 -12.729 8.086 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.381 -11.063 8.752 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.435 -10.382 7.139 1.00 0.51 H new ATOM 0 HG SER A 44 3.729 -11.926 7.384 1.00 0.59 H new ATOM 717 N PHE A 45 7.270 -10.911 5.339 1.00 0.42 N ATOM 718 CA PHE A 45 7.441 -10.967 3.891 1.00 0.41 C ATOM 719 C PHE A 45 8.835 -11.441 3.506 1.00 0.42 C ATOM 720 O PHE A 45 8.994 -12.483 2.870 1.00 0.46 O ATOM 721 CB PHE A 45 7.179 -9.617 3.243 1.00 0.45 C ATOM 722 CG PHE A 45 7.000 -9.734 1.753 1.00 1.06 C ATOM 723 CD1 PHE A 45 8.089 -9.685 0.899 1.00 1.81 C ATOM 724 CD2 PHE A 45 5.739 -9.922 1.212 1.00 1.83 C ATOM 725 CE1 PHE A 45 7.923 -9.817 -0.466 1.00 2.38 C ATOM 726 CE2 PHE A 45 5.568 -10.057 -0.152 1.00 2.38 C ATOM 727 CZ PHE A 45 6.661 -10.004 -0.993 1.00 2.41 C ATOM 0 H PHE A 45 7.095 -9.977 5.709 1.00 0.42 H new ATOM 0 HA PHE A 45 6.708 -11.686 3.525 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.286 -9.171 3.682 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.010 -8.944 3.457 1.00 0.45 H new ATOM 0 HD1 PHE A 45 9.080 -9.542 1.305 1.00 1.81 H new ATOM 0 HD2 PHE A 45 4.879 -9.964 1.864 1.00 1.83 H new ATOM 0 HE1 PHE A 45 8.781 -9.774 -1.121 1.00 2.38 H new ATOM 0 HE2 PHE A 45 4.579 -10.204 -0.560 1.00 2.38 H new ATOM 0 HZ PHE A 45 6.529 -10.108 -2.060 1.00 2.41 H new ATOM 737 N LEU A 46 9.843 -10.679 3.896 1.00 0.45 N ATOM 738 CA LEU A 46 11.202 -10.965 3.470 1.00 0.57 C ATOM 739 C LEU A 46 11.876 -11.915 4.438 1.00 0.65 C ATOM 740 O LEU A 46 12.778 -12.641 4.052 1.00 0.66 O ATOM 741 CB LEU A 46 12.025 -9.683 3.333 1.00 0.67 C ATOM 742 CG LEU A 46 12.846 -9.552 2.046 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.171 -10.264 2.209 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.078 -10.104 0.849 1.00 0.55 C ATOM 0 H LEU A 46 9.748 -9.864 4.502 1.00 0.45 H new ATOM 0 HA LEU A 46 11.147 -11.439 2.490 1.00 0.57 H new ATOM 0 HB2 LEU A 46 11.349 -8.831 3.398 1.00 0.67 H new ATOM 0 HB3 LEU A 46 12.704 -9.617 4.183 1.00 0.67 H new ATOM 0 HG LEU A 46 13.034 -8.495 1.858 1.00 0.57 H new ATOM 0 HD11 LEU A 46 14.751 -10.168 1.291 1.00 0.71 H new ATOM 0 HD12 LEU A 46 14.724 -9.819 3.036 1.00 0.71 H new ATOM 0 HD13 LEU A 46 13.994 -11.319 2.417 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.683 -9.999 -0.051 1.00 0.55 H new ATOM 0 HD22 LEU A 46 11.854 -11.158 1.015 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.147 -9.550 0.727 1.00 0.55 H new ATOM 756 N GLY A 47 11.427 -11.932 5.691 1.00 0.74 N ATOM 757 CA GLY A 47 11.990 -12.857 6.656 1.00 0.90 C ATOM 758 C GLY A 47 11.737 -14.291 6.255 1.00 0.89 C ATOM 759 O GLY A 47 12.407 -15.208 6.732 1.00 0.99 O ATOM 0 H GLY A 47 10.690 -11.327 6.052 1.00 0.74 H new ATOM 0 HA2 GLY A 47 13.063 -12.686 6.744 1.00 0.90 H new ATOM 0 HA3 GLY A 47 11.556 -12.670 7.638 1.00 0.90 H new ATOM 763 N LYS A 48 10.763 -14.481 5.371 1.00 0.79 N ATOM 764 CA LYS A 48 10.519 -15.776 4.762 1.00 0.82 C ATOM 765 C LYS A 48 11.703 -16.203 3.883 1.00 0.78 C ATOM 766 O LYS A 48 11.927 -17.396 3.674 1.00 0.87 O ATOM 767 CB LYS A 48 9.253 -15.704 3.918 1.00 0.82 C ATOM 768 CG LYS A 48 8.726 -17.062 3.475 1.00 1.08 C ATOM 769 CD LYS A 48 7.436 -16.939 2.676 1.00 1.51 C ATOM 770 CE LYS A 48 7.648 -16.186 1.369 1.00 2.27 C ATOM 771 NZ LYS A 48 6.401 -16.107 0.563 1.00 3.17 N ATOM 0 H LYS A 48 10.127 -13.746 5.061 1.00 0.79 H new ATOM 0 HA LYS A 48 10.398 -16.516 5.553 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.477 -15.193 4.488 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.452 -15.097 3.035 1.00 0.82 H new ATOM 0 HG2 LYS A 48 9.481 -17.564 2.870 1.00 1.08 H new ATOM 0 HG3 LYS A 48 8.552 -17.687 4.351 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.045 -17.934 2.463 1.00 1.51 H new ATOM 0 HD3 LYS A 48 6.686 -16.423 3.275 1.00 1.51 H new ATOM 0 HE2 LYS A 48 8.005 -15.179 1.585 1.00 2.27 H new ATOM 0 HE3 LYS A 48 8.425 -16.682 0.787 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 6.589 -15.587 -0.318 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 6.074 -17.067 0.335 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.667 -15.611 1.107 1.00 3.17 H new ATOM 785 N ARG A 49 12.464 -15.229 3.379 1.00 0.73 N ATOM 786 CA ARG A 49 13.603 -15.510 2.504 1.00 0.81 C ATOM 787 C ARG A 49 14.492 -14.268 2.368 1.00 0.74 C ATOM 788 O ARG A 49 14.389 -13.515 1.401 1.00 1.00 O ATOM 789 CB ARG A 49 13.101 -15.985 1.130 1.00 0.95 C ATOM 790 CG ARG A 49 14.160 -16.670 0.276 1.00 1.17 C ATOM 791 CD ARG A 49 14.900 -15.690 -0.617 1.00 1.02 C ATOM 792 NE ARG A 49 15.978 -16.340 -1.359 1.00 1.61 N ATOM 793 CZ ARG A 49 16.187 -16.198 -2.668 1.00 1.87 C ATOM 794 NH1 ARG A 49 15.369 -15.454 -3.402 1.00 2.14 N ATOM 795 NH2 ARG A 49 17.212 -16.815 -3.245 1.00 2.50 N ATOM 0 H ARG A 49 12.311 -14.237 3.563 1.00 0.73 H new ATOM 0 HA ARG A 49 14.205 -16.305 2.945 1.00 0.81 H new ATOM 0 HB2 ARG A 49 12.270 -16.674 1.279 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.710 -15.127 0.583 1.00 0.95 H new ATOM 0 HG2 ARG A 49 14.874 -17.178 0.924 1.00 1.17 H new ATOM 0 HG3 ARG A 49 13.688 -17.435 -0.340 1.00 1.17 H new ATOM 0 HD2 ARG A 49 14.199 -15.236 -1.317 1.00 1.02 H new ATOM 0 HD3 ARG A 49 15.311 -14.884 -0.010 1.00 1.02 H new ATOM 0 HE ARG A 49 16.615 -16.944 -0.839 1.00 1.61 H new ATOM 0 HH11 ARG A 49 14.575 -14.987 -2.965 1.00 2.14 H new ATOM 0 HH12 ARG A 49 15.535 -15.350 -4.403 1.00 2.14 H new ATOM 0 HH21 ARG A 49 17.837 -17.396 -2.687 1.00 2.50 H new ATOM 0 HH22 ARG A 49 17.374 -16.708 -4.246 1.00 2.50 H new ATOM 809 N THR A 50 15.364 -14.063 3.347 1.00 0.76 N ATOM 810 CA THR A 50 16.218 -12.875 3.394 1.00 0.73 C ATOM 811 C THR A 50 17.586 -13.106 2.744 1.00 0.82 C ATOM 812 O THR A 50 18.616 -12.777 3.331 1.00 1.33 O ATOM 813 CB THR A 50 16.450 -12.428 4.847 1.00 0.74 C ATOM 814 OG1 THR A 50 16.707 -13.569 5.681 1.00 0.84 O ATOM 815 CG2 THR A 50 15.252 -11.660 5.366 1.00 0.63 C ATOM 0 H THR A 50 15.501 -14.707 4.126 1.00 0.76 H new ATOM 0 HA THR A 50 15.690 -12.104 2.833 1.00 0.73 H new ATOM 0 HB THR A 50 17.319 -11.770 4.872 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.855 -13.273 6.603 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.435 -11.352 6.395 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.089 -10.778 4.747 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.368 -12.297 5.330 1.00 0.63 H new ATOM 823 N ASP A 51 17.610 -13.665 1.544 1.00 0.57 N ATOM 824 CA ASP A 51 18.882 -13.939 0.876 1.00 0.62 C ATOM 825 C ASP A 51 19.291 -12.766 -0.002 1.00 0.58 C ATOM 826 O ASP A 51 18.438 -11.981 -0.414 1.00 0.55 O ATOM 827 CB ASP A 51 18.810 -15.220 0.040 1.00 0.69 C ATOM 828 CG ASP A 51 18.586 -16.456 0.887 1.00 1.26 C ATOM 829 OD1 ASP A 51 19.368 -16.683 1.831 1.00 2.01 O ATOM 830 OD2 ASP A 51 17.629 -17.210 0.611 1.00 1.78 O ATOM 0 H ASP A 51 16.780 -13.936 1.016 1.00 0.57 H new ATOM 0 HA ASP A 51 19.635 -14.081 1.651 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.002 -15.131 -0.686 1.00 0.69 H new ATOM 0 HB3 ASP A 51 19.735 -15.334 -0.525 1.00 0.69 H new ATOM 835 N GLU A 52 20.583 -12.640 -0.292 1.00 0.67 N ATOM 836 CA GLU A 52 21.075 -11.523 -1.100 1.00 0.71 C ATOM 837 C GLU A 52 20.395 -11.494 -2.456 1.00 0.67 C ATOM 838 O GLU A 52 20.037 -10.425 -2.958 1.00 0.63 O ATOM 839 CB GLU A 52 22.588 -11.586 -1.272 1.00 0.87 C ATOM 840 CG GLU A 52 23.326 -11.525 0.046 1.00 0.95 C ATOM 841 CD GLU A 52 24.802 -11.256 -0.117 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.567 -12.214 -0.336 1.00 1.91 O ATOM 843 OE2 GLU A 52 25.204 -10.079 -0.021 1.00 1.81 O ATOM 0 H GLU A 52 21.305 -13.291 0.017 1.00 0.67 H new ATOM 0 HA GLU A 52 20.831 -10.604 -0.568 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.853 -12.508 -1.790 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.913 -10.760 -1.905 1.00 0.87 H new ATOM 0 HG2 GLU A 52 22.886 -10.744 0.667 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.190 -12.468 0.576 1.00 0.95 H new ATOM 850 N ALA A 53 20.205 -12.672 -3.031 1.00 0.71 N ATOM 851 CA ALA A 53 19.498 -12.804 -4.297 1.00 0.76 C ATOM 852 C ALA A 53 18.101 -12.201 -4.200 1.00 0.66 C ATOM 853 O ALA A 53 17.652 -11.510 -5.112 1.00 0.69 O ATOM 854 CB ALA A 53 19.412 -14.264 -4.712 1.00 0.91 C ATOM 0 H ALA A 53 20.532 -13.555 -2.639 1.00 0.71 H new ATOM 0 HA ALA A 53 20.058 -12.259 -5.056 1.00 0.76 H new ATOM 0 HB1 ALA A 53 18.880 -14.342 -5.660 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.417 -14.670 -4.825 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.877 -14.828 -3.948 1.00 0.91 H new ATOM 860 N ALA A 54 17.431 -12.447 -3.081 1.00 0.60 N ATOM 861 CA ALA A 54 16.095 -11.913 -2.855 1.00 0.59 C ATOM 862 C ALA A 54 16.116 -10.393 -2.888 1.00 0.48 C ATOM 863 O ALA A 54 15.346 -9.778 -3.612 1.00 0.46 O ATOM 864 CB ALA A 54 15.537 -12.404 -1.531 1.00 0.64 C ATOM 0 H ALA A 54 17.793 -13.014 -2.314 1.00 0.60 H new ATOM 0 HA ALA A 54 15.446 -12.269 -3.655 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.538 -11.993 -1.382 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.484 -13.493 -1.540 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.188 -12.079 -0.719 1.00 0.64 H new ATOM 870 N PHE A 55 17.008 -9.797 -2.103 1.00 0.46 N ATOM 871 CA PHE A 55 17.187 -8.346 -2.098 1.00 0.42 C ATOM 872 C PHE A 55 17.527 -7.815 -3.484 1.00 0.44 C ATOM 873 O PHE A 55 16.984 -6.811 -3.921 1.00 0.45 O ATOM 874 CB PHE A 55 18.302 -7.953 -1.140 1.00 0.44 C ATOM 875 CG PHE A 55 18.026 -8.331 0.284 1.00 1.06 C ATOM 876 CD1 PHE A 55 17.010 -7.723 1.000 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.784 -9.305 0.907 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.760 -8.085 2.308 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.540 -9.669 2.211 1.00 2.70 C ATOM 880 CZ PHE A 55 17.527 -9.059 2.912 1.00 2.95 C ATOM 0 H PHE A 55 17.621 -10.297 -1.459 1.00 0.46 H new ATOM 0 HA PHE A 55 16.242 -7.909 -1.776 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.230 -8.427 -1.460 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.458 -6.876 -1.198 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.408 -6.959 0.531 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.581 -9.788 0.361 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.964 -7.606 2.858 1.00 2.77 H new ATOM 0 HE2 PHE A 55 19.142 -10.431 2.682 1.00 2.70 H new ATOM 0 HZ PHE A 55 17.332 -9.343 3.936 1.00 2.95 H new ATOM 890 N GLN A 56 18.449 -8.490 -4.148 1.00 0.49 N ATOM 891 CA GLN A 56 18.889 -8.119 -5.488 1.00 0.54 C ATOM 892 C GLN A 56 17.719 -8.106 -6.469 1.00 0.53 C ATOM 893 O GLN A 56 17.514 -7.127 -7.188 1.00 0.57 O ATOM 894 CB GLN A 56 19.972 -9.109 -5.928 1.00 0.62 C ATOM 895 CG GLN A 56 20.345 -9.051 -7.396 1.00 0.76 C ATOM 896 CD GLN A 56 20.945 -7.727 -7.823 1.00 0.98 C ATOM 897 OE1 GLN A 56 20.118 -6.854 -8.364 1.00 1.69 O flip ATOM 898 NE2 GLN A 56 22.150 -7.504 -7.698 1.00 0.87 N flip ATOM 0 H GLN A 56 18.918 -9.315 -3.774 1.00 0.49 H new ATOM 0 HA GLN A 56 19.298 -7.109 -5.476 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.869 -8.929 -5.335 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.634 -10.119 -5.696 1.00 0.62 H new ATOM 0 HG2 GLN A 56 21.056 -9.848 -7.612 1.00 0.76 H new ATOM 0 HG3 GLN A 56 19.456 -9.246 -7.995 1.00 0.76 H new ATOM 0 HE21 GLN A 56 22.757 -8.205 -7.274 1.00 0.87 H new ATOM 0 HE22 GLN A 56 22.541 -6.618 -8.018 1.00 0.87 H new ATOM 907 N LYS A 57 16.945 -9.183 -6.486 1.00 0.51 N ATOM 908 CA LYS A 57 15.790 -9.265 -7.368 1.00 0.52 C ATOM 909 C LYS A 57 14.716 -8.274 -6.946 1.00 0.48 C ATOM 910 O LYS A 57 14.139 -7.584 -7.781 1.00 0.48 O ATOM 911 CB LYS A 57 15.218 -10.685 -7.397 1.00 0.55 C ATOM 912 CG LYS A 57 15.636 -11.479 -8.628 1.00 0.76 C ATOM 913 CD LYS A 57 17.138 -11.711 -8.675 1.00 1.01 C ATOM 914 CE LYS A 57 17.566 -12.838 -7.749 1.00 0.87 C ATOM 915 NZ LYS A 57 16.940 -14.136 -8.116 1.00 1.60 N ATOM 0 H LYS A 57 17.095 -10.006 -5.903 1.00 0.51 H new ATOM 0 HA LYS A 57 16.123 -9.010 -8.374 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.542 -11.218 -6.503 1.00 0.55 H new ATOM 0 HB3 LYS A 57 14.130 -10.632 -7.360 1.00 0.55 H new ATOM 0 HG2 LYS A 57 15.121 -12.440 -8.632 1.00 0.76 H new ATOM 0 HG3 LYS A 57 15.323 -10.946 -9.526 1.00 0.76 H new ATOM 0 HD2 LYS A 57 17.437 -11.947 -9.696 1.00 1.01 H new ATOM 0 HD3 LYS A 57 17.656 -10.794 -8.395 1.00 1.01 H new ATOM 0 HE2 LYS A 57 18.651 -12.939 -7.779 1.00 0.87 H new ATOM 0 HE3 LYS A 57 17.298 -12.585 -6.723 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 17.528 -14.917 -7.762 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.992 -14.197 -7.692 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 16.861 -14.203 -9.151 1.00 1.60 H new ATOM 929 N LEU A 58 14.471 -8.192 -5.648 1.00 0.46 N ATOM 930 CA LEU A 58 13.466 -7.292 -5.113 1.00 0.43 C ATOM 931 C LEU A 58 13.792 -5.859 -5.474 1.00 0.43 C ATOM 932 O LEU A 58 12.918 -5.102 -5.880 1.00 0.42 O ATOM 933 CB LEU A 58 13.379 -7.420 -3.598 1.00 0.43 C ATOM 934 CG LEU A 58 12.121 -6.824 -2.986 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.887 -7.452 -3.610 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.126 -7.024 -1.486 1.00 0.41 C ATOM 0 H LEU A 58 14.959 -8.743 -4.942 1.00 0.46 H new ATOM 0 HA LEU A 58 12.506 -7.566 -5.550 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.432 -8.476 -3.332 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.249 -6.935 -3.155 1.00 0.43 H new ATOM 0 HG LEU A 58 12.100 -5.753 -3.189 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.992 -7.017 -3.164 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.886 -7.263 -4.683 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.896 -8.527 -3.431 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.221 -6.593 -1.058 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.162 -8.090 -1.261 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.999 -6.533 -1.056 1.00 0.41 H new ATOM 948 N MET A 59 15.052 -5.500 -5.316 1.00 0.46 N ATOM 949 CA MET A 59 15.529 -4.193 -5.715 1.00 0.48 C ATOM 950 C MET A 59 15.155 -3.925 -7.156 1.00 0.48 C ATOM 951 O MET A 59 14.414 -3.003 -7.435 1.00 0.49 O ATOM 952 CB MET A 59 17.037 -4.093 -5.538 1.00 0.54 C ATOM 953 CG MET A 59 17.629 -2.888 -6.237 1.00 0.57 C ATOM 954 SD MET A 59 18.614 -3.365 -7.656 1.00 1.64 S ATOM 955 CE MET A 59 19.997 -4.135 -6.829 1.00 2.39 C ATOM 0 H MET A 59 15.768 -6.103 -4.910 1.00 0.46 H new ATOM 0 HA MET A 59 15.059 -3.444 -5.078 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.271 -4.042 -4.475 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.505 -4.998 -5.925 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.827 -2.222 -6.557 1.00 0.57 H new ATOM 0 HG3 MET A 59 18.248 -2.328 -5.536 1.00 0.57 H new ATOM 0 HE1 MET A 59 20.753 -4.412 -7.564 1.00 2.39 H new ATOM 0 HE2 MET A 59 20.427 -3.436 -6.112 1.00 2.39 H new ATOM 0 HE3 MET A 59 19.656 -5.028 -6.305 1.00 2.39 H new ATOM 965 N SER A 60 15.629 -4.772 -8.052 1.00 0.50 N ATOM 966 CA SER A 60 15.343 -4.622 -9.476 1.00 0.53 C ATOM 967 C SER A 60 13.831 -4.594 -9.750 1.00 0.52 C ATOM 968 O SER A 60 13.383 -4.060 -10.767 1.00 0.56 O ATOM 969 CB SER A 60 16.034 -5.729 -10.280 1.00 0.56 C ATOM 970 OG SER A 60 15.792 -7.011 -9.728 1.00 1.35 O ATOM 0 H SER A 60 16.216 -5.574 -7.822 1.00 0.50 H new ATOM 0 HA SER A 60 15.744 -3.662 -9.800 1.00 0.53 H new ATOM 0 HB2 SER A 60 15.680 -5.705 -11.311 1.00 0.56 H new ATOM 0 HB3 SER A 60 17.107 -5.542 -10.307 1.00 0.56 H new ATOM 0 HG SER A 60 15.029 -6.964 -9.114 1.00 1.35 H new ATOM 976 N ASN A 61 13.049 -5.170 -8.840 1.00 0.49 N ATOM 977 CA ASN A 61 11.598 -5.158 -8.963 1.00 0.51 C ATOM 978 C ASN A 61 11.039 -3.791 -8.610 1.00 0.50 C ATOM 979 O ASN A 61 10.263 -3.206 -9.362 1.00 0.57 O ATOM 980 CB ASN A 61 10.957 -6.198 -8.038 1.00 0.49 C ATOM 981 CG ASN A 61 11.231 -7.623 -8.463 1.00 0.58 C ATOM 982 OD1 ASN A 61 11.404 -7.908 -9.647 1.00 0.80 O ATOM 983 ND2 ASN A 61 11.268 -8.534 -7.501 1.00 0.58 N ATOM 0 H ASN A 61 13.398 -5.650 -8.011 1.00 0.49 H new ATOM 0 HA ASN A 61 11.362 -5.398 -10.000 1.00 0.51 H new ATOM 0 HB2 ASN A 61 11.328 -6.050 -7.024 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.880 -6.035 -8.010 1.00 0.49 H new ATOM 0 HD21 ASN A 61 11.445 -9.512 -7.731 1.00 0.58 H new ATOM 0 HD22 ASN A 61 11.120 -8.257 -6.531 1.00 0.58 H new ATOM 990 N LEU A 62 11.448 -3.298 -7.455 1.00 0.44 N ATOM 991 CA LEU A 62 10.917 -2.063 -6.904 1.00 0.44 C ATOM 992 C LEU A 62 11.574 -0.874 -7.573 1.00 0.49 C ATOM 993 O LEU A 62 10.899 0.004 -8.102 1.00 0.55 O ATOM 994 CB LEU A 62 11.187 -2.023 -5.403 1.00 0.38 C ATOM 995 CG LEU A 62 10.967 -3.345 -4.675 1.00 0.35 C ATOM 996 CD1 LEU A 62 11.221 -3.185 -3.183 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.571 -3.879 -4.952 1.00 0.35 C ATOM 0 H LEU A 62 12.158 -3.742 -6.872 1.00 0.44 H new ATOM 0 HA LEU A 62 9.843 -2.021 -7.083 1.00 0.44 H new ATOM 0 HB2 LEU A 62 12.217 -1.704 -5.242 1.00 0.38 H new ATOM 0 HB3 LEU A 62 10.545 -1.266 -4.953 1.00 0.38 H new ATOM 0 HG LEU A 62 11.682 -4.076 -5.053 1.00 0.35 H new ATOM 0 HD11 LEU A 62 11.059 -4.139 -2.682 1.00 0.31 H new ATOM 0 HD12 LEU A 62 12.249 -2.861 -3.022 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.537 -2.440 -2.775 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.431 -4.823 -4.425 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.830 -3.157 -4.607 1.00 0.35 H new ATOM 0 HD23 LEU A 62 9.449 -4.040 -6.023 1.00 0.35 H new ATOM 1009 N ASP A 63 12.901 -0.890 -7.534 1.00 0.48 N ATOM 1010 CA ASP A 63 13.760 0.110 -8.164 1.00 0.54 C ATOM 1011 C ASP A 63 13.495 0.142 -9.669 1.00 0.57 C ATOM 1012 O ASP A 63 14.209 -0.456 -10.464 1.00 0.63 O ATOM 1013 CB ASP A 63 15.223 -0.253 -7.823 1.00 0.56 C ATOM 1014 CG ASP A 63 16.297 0.475 -8.612 1.00 0.67 C ATOM 1015 OD1 ASP A 63 16.443 1.703 -8.470 1.00 1.24 O ATOM 1016 OD2 ASP A 63 17.048 -0.204 -9.345 1.00 1.34 O ATOM 0 H ASP A 63 13.426 -1.619 -7.050 1.00 0.48 H new ATOM 0 HA ASP A 63 13.553 1.114 -7.792 1.00 0.54 H new ATOM 0 HB2 ASP A 63 15.386 -0.058 -6.763 1.00 0.56 H new ATOM 0 HB3 ASP A 63 15.354 -1.324 -7.974 1.00 0.56 H new ATOM 1021 N SER A 64 12.421 0.822 -10.037 1.00 0.59 N ATOM 1022 CA SER A 64 11.989 0.916 -11.419 1.00 0.64 C ATOM 1023 C SER A 64 12.822 1.965 -12.128 1.00 0.66 C ATOM 1024 O SER A 64 13.001 1.935 -13.349 1.00 0.76 O ATOM 1025 CB SER A 64 10.504 1.274 -11.472 1.00 0.72 C ATOM 1026 OG SER A 64 9.750 0.410 -10.632 1.00 1.37 O ATOM 0 H SER A 64 11.823 1.326 -9.382 1.00 0.59 H new ATOM 0 HA SER A 64 12.127 -0.042 -11.920 1.00 0.64 H new ATOM 0 HB2 SER A 64 10.363 2.309 -11.159 1.00 0.72 H new ATOM 0 HB3 SER A 64 10.143 1.199 -12.498 1.00 0.72 H new ATOM 0 HG SER A 64 10.116 0.436 -9.723 1.00 1.37 H new ATOM 1032 N ASN A 65 13.327 2.896 -11.337 1.00 0.63 N ATOM 1033 CA ASN A 65 14.272 3.892 -11.805 1.00 0.72 C ATOM 1034 C ASN A 65 15.621 3.220 -12.070 1.00 0.69 C ATOM 1035 O ASN A 65 16.483 3.800 -12.736 1.00 0.77 O ATOM 1036 CB ASN A 65 14.419 4.994 -10.748 1.00 0.79 C ATOM 1037 CG ASN A 65 15.350 4.579 -9.634 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.522 4.948 -9.625 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.842 3.820 -8.688 1.00 1.16 N ATOM 0 H ASN A 65 13.091 2.982 -10.348 1.00 0.63 H new ATOM 0 HA ASN A 65 13.912 4.342 -12.730 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.797 5.902 -11.219 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.440 5.234 -10.334 1.00 0.79 H new ATOM 0 HD21 ASN A 65 15.426 3.516 -7.909 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.864 3.535 -8.733 1.00 1.16 H new ATOM 1046 N ARG A 66 15.766 1.988 -11.574 1.00 0.60 N ATOM 1047 CA ARG A 66 16.952 1.169 -11.781 1.00 0.60 C ATOM 1048 C ARG A 66 18.245 1.949 -11.613 1.00 0.61 C ATOM 1049 O ARG A 66 19.058 2.065 -12.539 1.00 0.69 O ATOM 1050 CB ARG A 66 16.906 0.464 -13.127 1.00 0.67 C ATOM 1051 CG ARG A 66 15.828 -0.606 -13.206 1.00 0.71 C ATOM 1052 CD ARG A 66 16.106 -1.775 -12.261 1.00 0.71 C ATOM 1053 NE ARG A 66 15.248 -2.920 -12.561 1.00 0.78 N ATOM 1054 CZ ARG A 66 15.634 -3.993 -13.251 1.00 1.20 C ATOM 1055 NH1 ARG A 66 16.866 -4.074 -13.736 1.00 2.24 N ATOM 1056 NH2 ARG A 66 14.781 -4.988 -13.453 1.00 1.15 N ATOM 0 H ARG A 66 15.050 1.530 -11.010 1.00 0.60 H new ATOM 0 HA ARG A 66 16.944 0.411 -10.998 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.735 1.202 -13.911 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.876 0.008 -13.325 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.862 -0.165 -12.961 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.760 -0.976 -14.229 1.00 0.71 H new ATOM 0 HD2 ARG A 66 17.152 -2.071 -12.344 1.00 0.71 H new ATOM 0 HD3 ARG A 66 15.945 -1.458 -11.231 1.00 0.71 H new ATOM 0 HE ARG A 66 14.287 -2.896 -12.219 1.00 0.78 H new ATOM 0 HH11 ARG A 66 17.526 -3.312 -13.582 1.00 2.24 H new ATOM 0 HH12 ARG A 66 17.153 -4.899 -14.263 1.00 2.24 H new ATOM 0 HH21 ARG A 66 13.833 -4.931 -13.081 1.00 1.15 H new ATOM 0 HH22 ARG A 66 15.073 -5.811 -13.981 1.00 1.15 H new ATOM 1070 N ASP A 67 18.406 2.486 -10.422 1.00 0.58 N ATOM 1071 CA ASP A 67 19.665 3.074 -9.995 1.00 0.62 C ATOM 1072 C ASP A 67 20.185 2.233 -8.841 1.00 0.56 C ATOM 1073 O ASP A 67 21.248 2.488 -8.271 1.00 0.57 O ATOM 1074 CB ASP A 67 19.468 4.531 -9.566 1.00 0.70 C ATOM 1075 CG ASP A 67 20.774 5.268 -9.349 1.00 1.07 C ATOM 1076 OD1 ASP A 67 21.480 5.537 -10.342 1.00 1.72 O ATOM 1077 OD2 ASP A 67 21.082 5.616 -8.192 1.00 1.64 O ATOM 0 H ASP A 67 17.668 2.529 -9.719 1.00 0.58 H new ATOM 0 HA ASP A 67 20.383 3.081 -10.815 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.886 5.052 -10.326 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.886 4.557 -8.645 1.00 0.70 H new ATOM 1082 N ASN A 68 19.387 1.213 -8.526 1.00 0.53 N ATOM 1083 CA ASN A 68 19.690 0.220 -7.506 1.00 0.51 C ATOM 1084 C ASN A 68 19.543 0.796 -6.112 1.00 0.47 C ATOM 1085 O ASN A 68 20.158 0.325 -5.153 1.00 0.48 O ATOM 1086 CB ASN A 68 21.064 -0.412 -7.730 1.00 0.58 C ATOM 1087 CG ASN A 68 21.116 -1.192 -9.033 1.00 0.73 C ATOM 1088 OD1 ASN A 68 19.954 -1.628 -9.509 1.00 1.08 O flip ATOM 1089 ND2 ASN A 68 22.182 -1.386 -9.617 1.00 0.66 N flip ATOM 0 H ASN A 68 18.491 1.054 -8.987 1.00 0.53 H new ATOM 0 HA ASN A 68 18.957 -0.582 -7.596 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.826 0.367 -7.741 1.00 0.58 H new ATOM 0 HB3 ASN A 68 21.300 -1.076 -6.898 1.00 0.58 H new ATOM 0 HD21 ASN A 68 23.053 -1.035 -9.219 1.00 0.66 H new ATOM 0 HD22 ASN A 68 22.194 -1.898 -10.499 1.00 0.66 H new ATOM 1096 N GLU A 69 18.705 1.814 -6.016 1.00 0.46 N ATOM 1097 CA GLU A 69 18.258 2.333 -4.739 1.00 0.42 C ATOM 1098 C GLU A 69 16.756 2.567 -4.822 1.00 0.41 C ATOM 1099 O GLU A 69 16.287 3.329 -5.665 1.00 0.44 O ATOM 1100 CB GLU A 69 18.958 3.641 -4.362 1.00 0.46 C ATOM 1101 CG GLU A 69 20.475 3.588 -4.390 1.00 0.50 C ATOM 1102 CD GLU A 69 21.109 4.813 -3.756 1.00 0.65 C ATOM 1103 OE1 GLU A 69 21.256 4.840 -2.515 1.00 1.29 O ATOM 1104 OE2 GLU A 69 21.481 5.749 -4.497 1.00 1.31 O ATOM 0 H GLU A 69 18.316 2.303 -6.823 1.00 0.46 H new ATOM 0 HA GLU A 69 18.505 1.605 -3.967 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.624 4.424 -5.043 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.638 3.932 -3.361 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.814 2.694 -3.866 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.814 3.500 -5.422 1.00 0.50 H new ATOM 1111 N VAL A 70 16.017 1.916 -3.945 1.00 0.37 N ATOM 1112 CA VAL A 70 14.549 1.967 -3.980 1.00 0.36 C ATOM 1113 C VAL A 70 14.010 3.258 -3.365 1.00 0.35 C ATOM 1114 O VAL A 70 14.300 3.564 -2.219 1.00 0.36 O ATOM 1115 CB VAL A 70 13.943 0.764 -3.225 1.00 0.34 C ATOM 1116 CG1 VAL A 70 12.449 0.941 -3.022 1.00 0.34 C ATOM 1117 CG2 VAL A 70 14.221 -0.525 -3.973 1.00 0.37 C ATOM 0 H VAL A 70 16.400 1.342 -3.194 1.00 0.37 H new ATOM 0 HA VAL A 70 14.258 1.931 -5.030 1.00 0.36 H new ATOM 0 HB VAL A 70 14.415 0.712 -2.244 1.00 0.34 H new ATOM 0 HG11 VAL A 70 12.050 0.079 -2.488 1.00 0.34 H new ATOM 0 HG12 VAL A 70 12.265 1.845 -2.441 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.958 1.027 -3.991 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.787 -1.363 -3.427 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.778 -0.471 -4.968 1.00 0.37 H new ATOM 0 HG23 VAL A 70 15.298 -0.669 -4.063 1.00 0.37 H new ATOM 1127 N ASP A 71 13.217 4.004 -4.127 1.00 0.38 N ATOM 1128 CA ASP A 71 12.653 5.268 -3.639 1.00 0.39 C ATOM 1129 C ASP A 71 11.434 5.016 -2.747 1.00 0.37 C ATOM 1130 O ASP A 71 10.906 3.906 -2.735 1.00 0.35 O ATOM 1131 CB ASP A 71 12.287 6.196 -4.817 1.00 0.45 C ATOM 1132 CG ASP A 71 10.787 6.340 -5.051 1.00 0.77 C ATOM 1133 OD1 ASP A 71 10.161 7.213 -4.416 1.00 1.43 O ATOM 1134 OD2 ASP A 71 10.225 5.605 -5.873 1.00 1.35 O ATOM 0 H ASP A 71 12.948 3.761 -5.081 1.00 0.38 H new ATOM 0 HA ASP A 71 13.414 5.766 -3.037 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.712 7.183 -4.634 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.751 5.813 -5.726 1.00 0.45 H new ATOM 1139 N PHE A 72 11.010 6.035 -1.982 1.00 0.41 N ATOM 1140 CA PHE A 72 9.832 5.916 -1.104 1.00 0.44 C ATOM 1141 C PHE A 72 8.671 5.266 -1.847 1.00 0.40 C ATOM 1142 O PHE A 72 8.006 4.366 -1.338 1.00 0.42 O ATOM 1143 CB PHE A 72 9.322 7.281 -0.649 1.00 0.54 C ATOM 1144 CG PHE A 72 10.155 8.068 0.318 1.00 0.94 C ATOM 1145 CD1 PHE A 72 11.249 8.799 -0.112 1.00 1.69 C ATOM 1146 CD2 PHE A 72 9.797 8.128 1.655 1.00 1.70 C ATOM 1147 CE1 PHE A 72 11.974 9.567 0.779 1.00 2.18 C ATOM 1148 CE2 PHE A 72 10.523 8.887 2.549 1.00 2.17 C ATOM 1149 CZ PHE A 72 11.613 9.610 2.111 1.00 2.15 C ATOM 0 H PHE A 72 11.463 6.948 -1.953 1.00 0.41 H new ATOM 0 HA PHE A 72 10.155 5.320 -0.250 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.177 7.895 -1.538 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.340 7.135 -0.199 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.538 8.769 -1.152 1.00 1.69 H new ATOM 0 HD2 PHE A 72 8.938 7.573 2.002 1.00 1.70 H new ATOM 0 HE1 PHE A 72 12.825 10.135 0.433 1.00 2.18 H new ATOM 0 HE2 PHE A 72 10.238 8.915 3.590 1.00 2.17 H new ATOM 0 HZ PHE A 72 12.182 10.208 2.808 1.00 2.15 H new ATOM 1159 N GLN A 73 8.426 5.769 -3.045 1.00 0.38 N ATOM 1160 CA GLN A 73 7.319 5.315 -3.871 1.00 0.37 C ATOM 1161 C GLN A 73 7.511 3.860 -4.282 1.00 0.36 C ATOM 1162 O GLN A 73 6.598 3.056 -4.158 1.00 0.37 O ATOM 1163 CB GLN A 73 7.164 6.224 -5.102 1.00 0.41 C ATOM 1164 CG GLN A 73 6.022 5.831 -6.024 1.00 0.50 C ATOM 1165 CD GLN A 73 6.489 5.080 -7.255 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.743 3.798 -7.091 1.00 0.63 O flip ATOM 1167 NE2 GLN A 73 6.670 5.659 -8.324 1.00 0.41 N flip ATOM 0 H GLN A 73 8.989 6.504 -3.473 1.00 0.38 H new ATOM 0 HA GLN A 73 6.402 5.375 -3.286 1.00 0.37 H new ATOM 0 HB2 GLN A 73 7.009 7.249 -4.766 1.00 0.41 H new ATOM 0 HB3 GLN A 73 8.095 6.212 -5.669 1.00 0.41 H new ATOM 0 HG2 GLN A 73 5.314 5.211 -5.473 1.00 0.50 H new ATOM 0 HG3 GLN A 73 5.486 6.728 -6.334 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.460 6.654 -8.407 1.00 0.41 H new ATOM 0 HE22 GLN A 73 7.030 5.145 -9.128 1.00 0.41 H new ATOM 1176 N GLU A 74 8.689 3.524 -4.782 1.00 0.37 N ATOM 1177 CA GLU A 74 8.994 2.144 -5.158 1.00 0.40 C ATOM 1178 C GLU A 74 8.899 1.224 -3.936 1.00 0.38 C ATOM 1179 O GLU A 74 8.547 0.048 -4.042 1.00 0.41 O ATOM 1180 CB GLU A 74 10.387 2.079 -5.782 1.00 0.45 C ATOM 1181 CG GLU A 74 10.519 2.917 -7.045 1.00 0.59 C ATOM 1182 CD GLU A 74 11.952 3.046 -7.516 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.861 3.038 -6.661 1.00 2.18 O ATOM 1184 OE2 GLU A 74 12.178 3.142 -8.747 1.00 2.04 O ATOM 0 H GLU A 74 9.452 4.183 -4.939 1.00 0.37 H new ATOM 0 HA GLU A 74 8.265 1.802 -5.893 1.00 0.40 H new ATOM 0 HB2 GLU A 74 11.121 2.417 -5.051 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.625 1.041 -6.016 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.920 2.469 -7.837 1.00 0.59 H new ATOM 0 HG3 GLU A 74 10.111 3.911 -6.861 1.00 0.59 H new ATOM 1191 N TYR A 75 9.178 1.800 -2.776 1.00 0.34 N ATOM 1192 CA TYR A 75 9.105 1.112 -1.501 1.00 0.37 C ATOM 1193 C TYR A 75 7.650 0.852 -1.127 1.00 0.34 C ATOM 1194 O TYR A 75 7.283 -0.248 -0.709 1.00 0.34 O ATOM 1195 CB TYR A 75 9.791 1.980 -0.433 1.00 0.43 C ATOM 1196 CG TYR A 75 9.348 1.715 0.994 1.00 0.86 C ATOM 1197 CD1 TYR A 75 8.241 2.366 1.532 1.00 1.72 C ATOM 1198 CD2 TYR A 75 10.035 0.823 1.803 1.00 1.50 C ATOM 1199 CE1 TYR A 75 7.832 2.128 2.829 1.00 2.09 C ATOM 1200 CE2 TYR A 75 9.632 0.585 3.103 1.00 1.86 C ATOM 1201 CZ TYR A 75 8.531 1.235 3.609 1.00 1.84 C ATOM 1202 OH TYR A 75 8.122 0.979 4.903 1.00 2.33 O ATOM 0 H TYR A 75 9.466 2.775 -2.696 1.00 0.34 H new ATOM 0 HA TYR A 75 9.613 0.150 -1.568 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.868 1.824 -0.497 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.606 3.029 -0.666 1.00 0.43 H new ATOM 0 HD1 TYR A 75 7.692 3.070 0.924 1.00 1.72 H new ATOM 0 HD2 TYR A 75 10.899 0.306 1.411 1.00 1.50 H new ATOM 0 HE1 TYR A 75 6.969 2.639 3.229 1.00 2.09 H new ATOM 0 HE2 TYR A 75 10.181 -0.110 3.721 1.00 1.86 H new ATOM 0 HH TYR A 75 7.760 1.799 5.300 1.00 2.33 H new ATOM 1212 N SER A 76 6.824 1.877 -1.287 1.00 0.35 N ATOM 1213 CA SER A 76 5.421 1.786 -0.936 1.00 0.37 C ATOM 1214 C SER A 76 4.683 0.904 -1.928 1.00 0.36 C ATOM 1215 O SER A 76 3.832 0.121 -1.536 1.00 0.41 O ATOM 1216 CB SER A 76 4.793 3.182 -0.858 1.00 0.41 C ATOM 1217 OG SER A 76 5.265 4.016 -1.899 1.00 1.21 O ATOM 0 H SER A 76 7.107 2.783 -1.660 1.00 0.35 H new ATOM 0 HA SER A 76 5.336 1.328 0.049 1.00 0.37 H new ATOM 0 HB2 SER A 76 3.708 3.099 -0.919 1.00 0.41 H new ATOM 0 HB3 SER A 76 5.024 3.634 0.106 1.00 0.41 H new ATOM 0 HG SER A 76 5.555 3.464 -2.655 1.00 1.21 H new ATOM 1223 N VAL A 77 5.051 1.009 -3.203 1.00 0.35 N ATOM 1224 CA VAL A 77 4.458 0.191 -4.259 1.00 0.36 C ATOM 1225 C VAL A 77 4.729 -1.281 -3.993 1.00 0.33 C ATOM 1226 O VAL A 77 3.903 -2.150 -4.286 1.00 0.33 O ATOM 1227 CB VAL A 77 5.000 0.576 -5.653 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.608 -0.456 -6.700 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.481 1.947 -6.049 1.00 0.44 C ATOM 0 H VAL A 77 5.764 1.659 -3.532 1.00 0.35 H new ATOM 0 HA VAL A 77 3.384 0.374 -4.253 1.00 0.36 H new ATOM 0 HB VAL A 77 6.088 0.604 -5.600 1.00 0.40 H new ATOM 0 HG11 VAL A 77 5.004 -0.158 -7.671 1.00 0.43 H new ATOM 0 HG12 VAL A 77 5.018 -1.428 -6.424 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.521 -0.523 -6.756 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.867 2.212 -7.033 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.392 1.929 -6.080 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.811 2.686 -5.319 1.00 0.44 H new ATOM 1239 N PHE A 78 5.889 -1.551 -3.425 1.00 0.32 N ATOM 1240 CA PHE A 78 6.226 -2.889 -2.994 1.00 0.29 C ATOM 1241 C PHE A 78 5.223 -3.376 -1.960 1.00 0.27 C ATOM 1242 O PHE A 78 4.610 -4.431 -2.120 1.00 0.28 O ATOM 1243 CB PHE A 78 7.625 -2.914 -2.396 1.00 0.27 C ATOM 1244 CG PHE A 78 8.000 -4.252 -1.841 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.702 -5.416 -2.533 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.641 -4.345 -0.625 1.00 1.18 C ATOM 1247 CE1 PHE A 78 8.040 -6.645 -2.016 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.982 -5.571 -0.107 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.681 -6.722 -0.800 1.00 0.37 C ATOM 0 H PHE A 78 6.615 -0.856 -3.252 1.00 0.32 H new ATOM 0 HA PHE A 78 6.196 -3.548 -3.861 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.347 -2.629 -3.162 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.689 -2.168 -1.604 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.200 -5.357 -3.487 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.877 -3.447 -0.074 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.803 -7.546 -2.562 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.487 -5.632 0.846 1.00 1.19 H new ATOM 0 HZ PHE A 78 8.948 -7.685 -0.390 1.00 0.37 H new ATOM 1259 N LEU A 79 5.058 -2.588 -0.907 1.00 0.27 N ATOM 1260 CA LEU A 79 4.128 -2.925 0.171 1.00 0.26 C ATOM 1261 C LEU A 79 2.714 -3.043 -0.369 1.00 0.31 C ATOM 1262 O LEU A 79 1.925 -3.880 0.070 1.00 0.33 O ATOM 1263 CB LEU A 79 4.181 -1.855 1.250 1.00 0.29 C ATOM 1264 CG LEU A 79 5.587 -1.528 1.734 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.547 -0.420 2.762 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.260 -2.766 2.302 1.00 0.30 C ATOM 0 H LEU A 79 5.556 -1.708 -0.773 1.00 0.27 H new ATOM 0 HA LEU A 79 4.420 -3.884 0.600 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.720 -0.945 0.867 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.583 -2.182 2.100 1.00 0.29 H new ATOM 0 HG LEU A 79 6.174 -1.184 0.882 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.560 -0.198 3.098 1.00 0.40 H new ATOM 0 HD12 LEU A 79 5.109 0.473 2.317 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.943 -0.735 3.613 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.264 -2.511 2.642 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.677 -3.144 3.142 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.323 -3.533 1.530 1.00 0.30 H new ATOM 1278 N SER A 80 2.423 -2.188 -1.328 1.00 0.36 N ATOM 1279 CA SER A 80 1.177 -2.214 -2.057 1.00 0.47 C ATOM 1280 C SER A 80 0.976 -3.584 -2.678 1.00 0.37 C ATOM 1281 O SER A 80 -0.026 -4.255 -2.430 1.00 0.38 O ATOM 1282 CB SER A 80 1.234 -1.161 -3.154 1.00 0.66 C ATOM 1283 OG SER A 80 1.532 0.119 -2.622 1.00 0.84 O ATOM 0 H SER A 80 3.056 -1.446 -1.625 1.00 0.36 H new ATOM 0 HA SER A 80 0.347 -2.006 -1.382 1.00 0.47 H new ATOM 0 HB2 SER A 80 1.991 -1.438 -3.888 1.00 0.66 H new ATOM 0 HB3 SER A 80 0.279 -1.126 -3.678 1.00 0.66 H new ATOM 0 HG SER A 80 2.455 0.129 -2.292 1.00 0.84 H new ATOM 1289 N SER A 81 1.966 -3.996 -3.460 1.00 0.33 N ATOM 1290 CA SER A 81 1.945 -5.283 -4.125 1.00 0.30 C ATOM 1291 C SER A 81 1.790 -6.408 -3.110 1.00 0.24 C ATOM 1292 O SER A 81 1.098 -7.381 -3.370 1.00 0.26 O ATOM 1293 CB SER A 81 3.226 -5.470 -4.939 1.00 0.37 C ATOM 1294 OG SER A 81 3.391 -4.417 -5.878 1.00 1.22 O ATOM 0 H SER A 81 2.803 -3.444 -3.648 1.00 0.33 H new ATOM 0 HA SER A 81 1.090 -5.314 -4.801 1.00 0.30 H new ATOM 0 HB2 SER A 81 4.085 -5.503 -4.269 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.193 -6.426 -5.461 1.00 0.37 H new ATOM 0 HG SER A 81 3.652 -3.598 -5.408 1.00 1.22 H new ATOM 1300 N ILE A 82 2.421 -6.260 -1.951 1.00 0.23 N ATOM 1301 CA ILE A 82 2.293 -7.244 -0.884 1.00 0.23 C ATOM 1302 C ILE A 82 0.833 -7.443 -0.505 1.00 0.27 C ATOM 1303 O ILE A 82 0.300 -8.547 -0.608 1.00 0.30 O ATOM 1304 CB ILE A 82 3.058 -6.826 0.385 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.555 -6.685 0.088 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.803 -7.833 1.500 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.389 -6.357 1.306 1.00 0.23 C ATOM 0 H ILE A 82 3.025 -5.469 -1.727 1.00 0.23 H new ATOM 0 HA ILE A 82 2.718 -8.170 -1.271 1.00 0.23 H new ATOM 0 HB ILE A 82 2.696 -5.853 0.717 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.918 -7.614 -0.350 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.696 -5.904 -0.659 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.347 -7.531 2.395 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.736 -7.870 1.720 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.143 -8.819 1.184 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.437 -6.273 1.018 1.00 0.23 H new ATOM 0 HD12 ILE A 82 5.053 -5.412 1.733 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.279 -7.149 2.046 1.00 0.23 H new ATOM 1319 N ALA A 83 0.195 -6.360 -0.075 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.193 -6.410 0.356 1.00 0.36 C ATOM 1321 C ALA A 83 -2.094 -6.901 -0.772 1.00 0.37 C ATOM 1322 O ALA A 83 -3.048 -7.640 -0.533 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.638 -5.044 0.865 1.00 0.40 C ATOM 0 H ALA A 83 0.621 -5.435 -0.016 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.277 -7.122 1.177 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.679 -5.096 1.184 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.014 -4.749 1.709 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.540 -4.309 0.067 1.00 0.40 H new ATOM 1329 N MET A 84 -1.772 -6.505 -2.000 1.00 0.37 N ATOM 1330 CA MET A 84 -2.508 -6.969 -3.177 1.00 0.43 C ATOM 1331 C MET A 84 -2.389 -8.482 -3.328 1.00 0.34 C ATOM 1332 O MET A 84 -3.387 -9.197 -3.314 1.00 0.37 O ATOM 1333 CB MET A 84 -1.976 -6.302 -4.450 1.00 0.64 C ATOM 1334 CG MET A 84 -2.135 -4.793 -4.476 1.00 0.44 C ATOM 1335 SD MET A 84 -1.345 -4.033 -5.913 1.00 1.00 S ATOM 1336 CE MET A 84 -2.223 -4.834 -7.255 1.00 1.26 C ATOM 0 H MET A 84 -1.007 -5.864 -2.208 1.00 0.37 H new ATOM 0 HA MET A 84 -3.554 -6.699 -3.035 1.00 0.43 H new ATOM 0 HB2 MET A 84 -0.920 -6.547 -4.560 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.493 -6.725 -5.311 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.196 -4.544 -4.476 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.708 -4.371 -3.566 1.00 0.44 H new ATOM 0 HE1 MET A 84 -2.074 -4.270 -8.175 1.00 1.26 H new ATOM 0 HE2 MET A 84 -1.843 -5.847 -7.385 1.00 1.26 H new ATOM 0 HE3 MET A 84 -3.287 -4.873 -7.022 1.00 1.26 H new ATOM 1346 N MET A 85 -1.157 -8.961 -3.447 1.00 0.34 N ATOM 1347 CA MET A 85 -0.891 -10.370 -3.724 1.00 0.35 C ATOM 1348 C MET A 85 -1.376 -11.252 -2.583 1.00 0.35 C ATOM 1349 O MET A 85 -1.985 -12.294 -2.818 1.00 0.42 O ATOM 1350 CB MET A 85 0.604 -10.597 -3.960 1.00 0.39 C ATOM 1351 CG MET A 85 1.182 -9.718 -5.058 1.00 1.36 C ATOM 1352 SD MET A 85 0.425 -10.007 -6.671 1.00 2.66 S ATOM 1353 CE MET A 85 0.883 -11.713 -6.966 1.00 3.35 C ATOM 0 H MET A 85 -0.318 -8.389 -3.355 1.00 0.34 H new ATOM 0 HA MET A 85 -1.438 -10.642 -4.627 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.144 -10.408 -3.032 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.769 -11.643 -4.218 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.050 -8.671 -4.784 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.255 -9.896 -5.130 1.00 1.36 H new ATOM 0 HE1 MET A 85 0.776 -11.940 -8.027 1.00 3.35 H new ATOM 0 HE2 MET A 85 1.919 -11.869 -6.664 1.00 3.35 H new ATOM 0 HE3 MET A 85 0.233 -12.369 -6.387 1.00 3.35 H new ATOM 1363 N SER A 86 -1.117 -10.823 -1.350 1.00 0.33 N ATOM 1364 CA SER A 86 -1.586 -11.544 -0.174 1.00 0.39 C ATOM 1365 C SER A 86 -3.102 -11.689 -0.233 1.00 0.43 C ATOM 1366 O SER A 86 -3.668 -12.712 0.152 1.00 0.57 O ATOM 1367 CB SER A 86 -1.172 -10.796 1.101 1.00 0.43 C ATOM 1368 OG SER A 86 -1.505 -11.530 2.268 1.00 1.24 O ATOM 0 H SER A 86 -0.584 -9.979 -1.141 1.00 0.33 H new ATOM 0 HA SER A 86 -1.135 -12.536 -0.157 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.098 -10.610 1.082 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.664 -9.824 1.129 1.00 0.43 H new ATOM 0 HG SER A 86 -1.227 -11.027 3.062 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.739 -10.660 -0.762 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.183 -10.602 -0.879 1.00 0.51 C ATOM 1376 C ASN A 87 -5.719 -11.515 -1.987 1.00 0.44 C ATOM 1377 O ASN A 87 -6.544 -12.396 -1.729 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.591 -9.161 -1.153 1.00 0.69 C ATOM 1379 CG ASN A 87 -6.966 -9.038 -1.753 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.176 -8.228 -2.644 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -7.920 -9.815 -1.261 1.00 1.49 N ATOM 0 H ASN A 87 -3.263 -9.834 -1.125 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.614 -10.956 0.058 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.557 -8.597 -0.221 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -4.865 -8.707 -1.828 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -8.870 -9.749 -1.626 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.704 -10.479 -0.517 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.282 -11.296 -3.221 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.829 -12.056 -4.342 1.00 0.43 C ATOM 1390 C GLU A 88 -5.465 -13.535 -4.204 1.00 0.52 C ATOM 1391 O GLU A 88 -6.175 -14.411 -4.699 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.355 -11.500 -5.691 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.963 -10.037 -5.663 1.00 0.51 C ATOM 1394 CD GLU A 88 -5.490 -9.305 -6.872 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -6.721 -9.159 -6.967 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -4.687 -8.895 -7.733 1.00 1.49 O ATOM 0 H GLU A 88 -4.566 -10.614 -3.470 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.914 -11.957 -4.317 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -4.501 -12.086 -6.032 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -6.149 -11.637 -6.425 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -5.350 -9.572 -4.756 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -3.877 -9.950 -5.627 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.369 -13.807 -3.504 1.00 0.50 N ATOM 1404 CA PHE A 89 -3.975 -15.178 -3.207 1.00 0.63 C ATOM 1405 C PHE A 89 -4.645 -15.664 -1.918 1.00 0.66 C ATOM 1406 O PHE A 89 -4.648 -16.858 -1.623 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.450 -15.292 -3.101 1.00 0.73 C ATOM 1408 CG PHE A 89 -1.954 -16.705 -2.964 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.087 -17.600 -4.013 1.00 2.16 C ATOM 1410 CD2 PHE A 89 -1.354 -17.135 -1.791 1.00 1.71 C ATOM 1411 CE1 PHE A 89 -1.634 -18.900 -3.894 1.00 2.80 C ATOM 1412 CE2 PHE A 89 -0.897 -18.433 -1.666 1.00 2.38 C ATOM 1413 CZ PHE A 89 -1.038 -19.317 -2.718 1.00 2.70 C ATOM 0 H PHE A 89 -3.739 -13.096 -3.132 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.308 -15.815 -4.027 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -1.999 -14.843 -3.986 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.111 -14.713 -2.242 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.550 -17.278 -4.934 1.00 2.16 H new ATOM 0 HD2 PHE A 89 -1.242 -16.448 -0.965 1.00 1.71 H new ATOM 0 HE1 PHE A 89 -1.745 -19.589 -4.718 1.00 2.80 H new ATOM 0 HE2 PHE A 89 -0.430 -18.756 -0.747 1.00 2.38 H new ATOM 0 HZ PHE A 89 -0.683 -20.333 -2.622 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.224 -14.738 -1.158 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.019 -15.101 0.012 1.00 0.68 C ATOM 1425 C PHE A 90 -7.246 -15.880 -0.439 1.00 0.68 C ATOM 1426 O PHE A 90 -7.658 -16.844 0.211 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.436 -13.857 0.808 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.260 -14.153 2.030 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -6.658 -14.588 3.200 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -8.636 -13.991 2.008 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -7.414 -14.857 4.324 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -9.396 -14.259 3.130 1.00 1.64 C ATOM 1433 CZ PHE A 90 -8.785 -14.692 4.289 1.00 1.21 C ATOM 0 H PHE A 90 -5.158 -13.735 -1.330 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.412 -15.723 0.670 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.539 -13.316 1.111 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.002 -13.194 0.154 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -5.586 -14.718 3.233 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.120 -13.652 1.104 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -6.934 -15.196 5.230 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -10.468 -14.130 3.100 1.00 1.64 H new ATOM 0 HZ PHE A 90 -9.378 -14.902 5.167 1.00 1.21 H new ATOM 1443 N GLU A 91 -7.822 -15.464 -1.564 1.00 0.61 N ATOM 1444 CA GLU A 91 -8.883 -16.244 -2.196 1.00 0.72 C ATOM 1445 C GLU A 91 -8.297 -17.514 -2.794 1.00 0.77 C ATOM 1446 O GLU A 91 -8.970 -18.537 -2.912 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.570 -15.465 -3.318 1.00 0.83 C ATOM 1448 CG GLU A 91 -10.077 -14.095 -2.928 1.00 0.92 C ATOM 1449 CD GLU A 91 -10.927 -13.476 -4.022 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.360 -12.997 -5.026 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -12.167 -13.484 -3.889 1.00 2.25 O ATOM 0 H GLU A 91 -7.576 -14.603 -2.052 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.618 -16.476 -1.425 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.869 -15.354 -4.145 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.409 -16.054 -3.688 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -10.663 -14.171 -2.012 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -9.231 -13.442 -2.712 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.033 -17.427 -3.174 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.387 -18.496 -3.900 1.00 0.82 C ATOM 1460 C GLY A 92 -6.402 -18.203 -5.381 1.00 0.81 C ATOM 1461 O GLY A 92 -5.466 -18.533 -6.114 1.00 0.92 O ATOM 0 H GLY A 92 -6.436 -16.621 -2.988 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.359 -18.611 -3.555 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -6.897 -19.439 -3.703 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.472 -17.557 -5.800 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.647 -17.112 -7.166 1.00 0.78 C ATOM 1467 C PHE A 93 -8.497 -15.851 -7.152 1.00 0.69 C ATOM 1468 O PHE A 93 -9.569 -15.844 -6.548 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.317 -18.205 -8.008 1.00 1.00 C ATOM 1470 CG PHE A 93 -8.670 -17.768 -9.404 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -7.696 -17.682 -10.386 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -9.977 -17.441 -9.733 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -8.018 -17.279 -11.668 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -10.304 -17.036 -11.012 1.00 3.60 C ATOM 1475 CZ PHE A 93 -9.324 -16.955 -11.981 1.00 3.91 C ATOM 0 H PHE A 93 -8.256 -17.323 -5.190 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.676 -16.900 -7.614 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -7.651 -19.066 -8.065 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -9.223 -18.536 -7.501 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -6.673 -17.933 -10.147 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -10.748 -17.504 -8.980 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -7.250 -17.217 -12.424 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -11.326 -16.783 -11.254 1.00 3.60 H new ATOM 0 HZ PHE A 93 -9.578 -16.639 -12.982 1.00 3.91 H new ATOM 1485 N PRO A 94 -8.016 -14.767 -7.781 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.727 -13.483 -7.809 1.00 0.61 C ATOM 1487 C PRO A 94 -10.119 -13.596 -8.431 1.00 0.71 C ATOM 1488 O PRO A 94 -10.288 -13.442 -9.641 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.826 -12.584 -8.663 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.915 -13.507 -9.395 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.738 -14.702 -8.506 1.00 0.83 C ATOM 0 HA PRO A 94 -8.899 -13.098 -6.804 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -8.415 -11.984 -9.356 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -7.262 -11.890 -8.040 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.341 -13.795 -10.356 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.958 -13.028 -9.601 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -6.554 -15.609 -9.081 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.894 -14.578 -7.827 1.00 0.83 H new ATOM 1499 N ASP A 95 -11.114 -13.845 -7.592 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.487 -14.032 -8.055 1.00 0.88 C ATOM 1501 C ASP A 95 -13.264 -12.737 -7.905 1.00 0.84 C ATOM 1502 O ASP A 95 -14.290 -12.519 -8.549 1.00 0.96 O ATOM 1503 CB ASP A 95 -13.169 -15.160 -7.279 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.591 -15.411 -7.744 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.777 -16.082 -8.777 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -15.532 -14.934 -7.075 1.00 2.16 O ATOM 0 H ASP A 95 -10.998 -13.923 -6.582 1.00 0.71 H new ATOM 0 HA ASP A 95 -12.466 -14.310 -9.109 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.588 -16.075 -7.390 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -13.176 -14.913 -6.217 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.737 -11.871 -7.065 1.00 0.81 N ATOM 1512 CA LYS A 96 -13.277 -10.534 -6.871 1.00 0.86 C ATOM 1513 C LYS A 96 -12.943 -9.690 -8.089 1.00 0.84 C ATOM 1514 O LYS A 96 -13.541 -8.645 -8.337 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.659 -9.920 -5.614 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.142 -9.997 -5.618 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.551 -9.812 -4.236 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.074 -10.141 -4.244 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.284 -9.046 -4.852 1.00 1.86 N ATOM 0 H LYS A 96 -11.917 -12.072 -6.492 1.00 0.81 H new ATOM 0 HA LYS A 96 -14.359 -10.575 -6.748 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.967 -8.878 -5.533 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.044 -10.435 -4.734 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.831 -10.963 -6.017 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.744 -9.233 -6.286 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.699 -8.784 -3.905 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.069 -10.454 -3.523 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -8.732 -10.316 -3.224 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -8.908 -11.064 -4.799 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.799 -9.398 -5.702 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.918 -8.265 -5.114 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -7.579 -8.705 -4.167 1.00 1.86 H new ATOM 1663 N SER B 3 8.544 -3.162 12.176 1.00 0.80 N ATOM 1664 CA SER B 3 8.062 -4.026 13.256 1.00 0.78 C ATOM 1665 C SER B 3 6.629 -4.563 12.968 1.00 0.65 C ATOM 1666 O SER B 3 6.179 -4.542 11.826 1.00 0.83 O ATOM 1667 CB SER B 3 8.098 -3.178 14.535 1.00 0.97 C ATOM 1668 OG SER B 3 7.829 -1.815 14.240 1.00 1.18 O ATOM 0 HA SER B 3 8.692 -4.910 13.355 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.363 -3.553 15.247 1.00 0.97 H new ATOM 0 HB3 SER B 3 9.075 -3.267 15.009 1.00 0.97 H new ATOM 0 HG SER B 3 8.138 -1.609 13.333 1.00 1.18 H new ATOM 1674 N PRO B 4 5.907 -5.137 13.957 1.00 0.67 N ATOM 1675 CA PRO B 4 4.466 -5.415 13.859 1.00 0.62 C ATOM 1676 C PRO B 4 3.642 -4.453 12.961 1.00 0.47 C ATOM 1677 O PRO B 4 2.539 -4.804 12.552 1.00 0.50 O ATOM 1678 CB PRO B 4 4.018 -5.293 15.322 1.00 0.79 C ATOM 1679 CG PRO B 4 5.261 -5.452 16.159 1.00 0.97 C ATOM 1680 CD PRO B 4 6.408 -5.703 15.213 1.00 0.88 C ATOM 0 HA PRO B 4 4.295 -6.379 13.380 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.547 -4.327 15.505 1.00 0.79 H new ATOM 0 HB3 PRO B 4 3.282 -6.059 15.569 1.00 0.79 H new ATOM 0 HG2 PRO B 4 5.442 -4.556 16.753 1.00 0.97 H new ATOM 0 HG3 PRO B 4 5.150 -6.281 16.858 1.00 0.97 H new ATOM 0 HD2 PRO B 4 7.323 -5.212 15.544 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.633 -6.765 15.119 1.00 0.88 H new ATOM 1688 N LEU B 5 4.174 -3.265 12.633 1.00 0.36 N ATOM 1689 CA LEU B 5 3.499 -2.343 11.716 1.00 0.32 C ATOM 1690 C LEU B 5 3.389 -2.957 10.326 1.00 0.30 C ATOM 1691 O LEU B 5 2.390 -2.780 9.641 1.00 0.32 O ATOM 1692 CB LEU B 5 4.241 -1.005 11.639 1.00 0.32 C ATOM 1693 CG LEU B 5 3.803 -0.054 10.509 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.548 1.329 11.077 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.857 0.027 9.396 1.00 0.27 C ATOM 0 H LEU B 5 5.067 -2.924 12.990 1.00 0.36 H new ATOM 0 HA LEU B 5 2.496 -2.161 12.103 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.117 -0.488 12.591 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.306 -1.209 11.523 1.00 0.32 H new ATOM 0 HG LEU B 5 2.887 -0.450 10.072 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.238 2.000 10.276 1.00 0.41 H new ATOM 0 HD12 LEU B 5 2.761 1.274 11.829 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.461 1.708 11.535 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.512 0.707 8.617 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.796 0.395 9.810 1.00 0.27 H new ATOM 0 HD23 LEU B 5 5.013 -0.964 8.969 1.00 0.27 H new ATOM 1707 N GLU B 6 4.420 -3.686 9.920 1.00 0.35 N ATOM 1708 CA GLU B 6 4.416 -4.396 8.646 1.00 0.42 C ATOM 1709 C GLU B 6 3.217 -5.316 8.569 1.00 0.34 C ATOM 1710 O GLU B 6 2.364 -5.222 7.680 1.00 0.32 O ATOM 1711 CB GLU B 6 5.665 -5.248 8.538 1.00 0.62 C ATOM 1712 CG GLU B 6 5.729 -6.035 7.257 1.00 1.80 C ATOM 1713 CD GLU B 6 5.554 -7.533 7.437 1.00 2.84 C ATOM 1714 OE1 GLU B 6 6.543 -8.222 7.776 1.00 3.32 O ATOM 1715 OE2 GLU B 6 4.430 -8.028 7.219 1.00 3.61 O ATOM 0 H GLU B 6 5.278 -3.802 10.460 1.00 0.35 H new ATOM 0 HA GLU B 6 4.379 -3.663 7.840 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.543 -4.606 8.608 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.704 -5.935 9.383 1.00 0.62 H new ATOM 0 HG2 GLU B 6 4.957 -5.669 6.580 1.00 1.80 H new ATOM 0 HG3 GLU B 6 6.689 -5.848 6.776 1.00 1.80 H new ATOM 1722 N LYS B 7 3.181 -6.203 9.538 1.00 0.35 N ATOM 1723 CA LYS B 7 2.129 -7.185 9.666 1.00 0.36 C ATOM 1724 C LYS B 7 0.789 -6.465 9.877 1.00 0.32 C ATOM 1725 O LYS B 7 -0.277 -7.030 9.657 1.00 0.35 O ATOM 1726 CB LYS B 7 2.425 -8.146 10.831 1.00 0.44 C ATOM 1727 CG LYS B 7 3.916 -8.334 11.172 1.00 0.64 C ATOM 1728 CD LYS B 7 4.712 -9.136 10.134 1.00 0.80 C ATOM 1729 CE LYS B 7 6.122 -9.400 10.639 1.00 1.78 C ATOM 1730 NZ LYS B 7 6.137 -10.349 11.786 1.00 2.82 N ATOM 0 H LYS B 7 3.891 -6.263 10.268 1.00 0.35 H new ATOM 0 HA LYS B 7 2.075 -7.779 8.753 1.00 0.36 H new ATOM 0 HB2 LYS B 7 1.910 -7.782 11.720 1.00 0.44 H new ATOM 0 HB3 LYS B 7 1.999 -9.121 10.593 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.376 -7.352 11.284 1.00 0.64 H new ATOM 0 HG3 LYS B 7 3.994 -8.835 12.137 1.00 0.64 H new ATOM 0 HD2 LYS B 7 4.208 -10.081 9.930 1.00 0.80 H new ATOM 0 HD3 LYS B 7 4.752 -8.587 9.193 1.00 0.80 H new ATOM 0 HE2 LYS B 7 6.728 -9.803 9.827 1.00 1.78 H new ATOM 0 HE3 LYS B 7 6.580 -8.459 10.942 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 7.072 -10.800 11.851 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 5.940 -9.832 12.667 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 5.410 -11.079 11.642 1.00 2.82 H new ATOM 1744 N ALA B 8 0.866 -5.209 10.325 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.315 -4.376 10.528 1.00 0.29 C ATOM 1746 C ALA B 8 -0.863 -3.822 9.213 1.00 0.27 C ATOM 1747 O ALA B 8 -2.058 -3.582 9.101 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.014 -3.237 11.479 1.00 0.32 C ATOM 0 H ALA B 8 1.745 -4.746 10.555 1.00 0.29 H new ATOM 0 HA ALA B 8 -1.080 -5.017 10.966 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.909 -2.630 11.615 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.300 -3.640 12.442 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.784 -2.620 11.066 1.00 0.32 H new ATOM 1754 N LEU B 9 -0.006 -3.594 8.220 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.512 -3.247 6.888 1.00 0.25 C ATOM 1756 C LEU B 9 -1.266 -4.458 6.353 1.00 0.25 C ATOM 1757 O LEU B 9 -2.255 -4.350 5.632 1.00 0.26 O ATOM 1758 CB LEU B 9 0.602 -2.846 5.904 1.00 0.26 C ATOM 1759 CG LEU B 9 1.914 -2.384 6.531 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.982 -2.209 5.467 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.724 -1.089 7.298 1.00 0.27 C ATOM 0 H LEU B 9 1.010 -3.640 8.303 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.160 -2.376 6.981 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.812 -3.698 5.257 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.226 -2.046 5.266 1.00 0.26 H new ATOM 0 HG LEU B 9 2.239 -3.153 7.231 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.910 -1.879 5.934 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.149 -3.159 4.959 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.655 -1.463 4.743 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.674 -0.782 7.735 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.369 -0.313 6.620 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.992 -1.240 8.091 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.798 -5.626 6.748 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.531 -6.865 6.482 1.00 0.28 C ATOM 1775 C ASP B 10 -2.858 -6.835 7.241 1.00 0.27 C ATOM 1776 O ASP B 10 -3.887 -7.309 6.756 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.706 -8.087 6.895 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.428 -9.402 6.650 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -2.250 -9.805 7.504 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -1.155 -10.048 5.616 1.00 1.15 O ATOM 0 H ASP B 10 0.080 -5.751 7.252 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.725 -6.942 5.412 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.234 -8.087 6.343 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.455 -8.008 7.953 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.828 -6.230 8.424 1.00 0.27 N ATOM 1786 CA VAL B 11 -4.022 -6.052 9.233 1.00 0.27 C ATOM 1787 C VAL B 11 -4.966 -5.036 8.586 1.00 0.27 C ATOM 1788 O VAL B 11 -6.164 -5.050 8.836 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.654 -5.603 10.667 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.887 -5.212 11.462 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.894 -6.703 11.385 1.00 0.31 C ATOM 0 H VAL B 11 -1.979 -5.852 8.844 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.533 -7.013 9.294 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.016 -4.723 10.586 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.591 -4.902 12.464 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.395 -4.387 10.963 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.561 -6.066 11.531 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.642 -6.373 12.393 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.515 -7.597 11.441 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.979 -6.930 10.838 1.00 0.31 H new ATOM 1801 N MET B 12 -4.427 -4.159 7.744 1.00 0.26 N ATOM 1802 CA MET B 12 -5.262 -3.208 7.018 1.00 0.29 C ATOM 1803 C MET B 12 -6.087 -3.957 5.978 1.00 0.29 C ATOM 1804 O MET B 12 -7.229 -3.598 5.700 1.00 0.33 O ATOM 1805 CB MET B 12 -4.417 -2.095 6.371 1.00 0.32 C ATOM 1806 CG MET B 12 -4.035 -2.333 4.919 1.00 0.98 C ATOM 1807 SD MET B 12 -2.842 -1.124 4.320 1.00 2.23 S ATOM 1808 CE MET B 12 -2.403 -1.833 2.733 1.00 2.75 C ATOM 0 H MET B 12 -3.428 -4.087 7.549 1.00 0.26 H new ATOM 0 HA MET B 12 -5.936 -2.719 7.721 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.969 -1.158 6.436 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.505 -1.968 6.954 1.00 0.32 H new ATOM 0 HG2 MET B 12 -3.618 -3.335 4.815 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.931 -2.295 4.299 1.00 0.98 H new ATOM 0 HE1 MET B 12 -1.904 -1.080 2.124 1.00 2.75 H new ATOM 0 HE2 MET B 12 -1.733 -2.679 2.885 1.00 2.75 H new ATOM 0 HE3 MET B 12 -3.305 -2.172 2.224 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.505 -5.015 5.421 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.256 -5.926 4.556 1.00 0.31 C ATOM 1820 C VAL B 13 -7.421 -6.540 5.349 1.00 0.27 C ATOM 1821 O VAL B 13 -8.561 -6.647 4.867 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.352 -7.055 4.000 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -6.120 -7.952 3.043 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -4.121 -6.479 3.311 1.00 0.42 C ATOM 0 H VAL B 13 -4.524 -5.263 5.550 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.639 -5.355 3.710 1.00 0.31 H new ATOM 0 HB VAL B 13 -5.024 -7.659 4.846 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.460 -8.735 2.669 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.961 -8.406 3.566 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.490 -7.359 2.206 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.503 -7.292 2.930 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.432 -5.841 2.484 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.546 -5.891 4.026 1.00 0.42 H new ATOM 1834 N SER B 14 -7.128 -6.915 6.585 1.00 0.26 N ATOM 1835 CA SER B 14 -8.140 -7.449 7.482 1.00 0.26 C ATOM 1836 C SER B 14 -9.154 -6.376 7.873 1.00 0.25 C ATOM 1837 O SER B 14 -10.332 -6.673 8.083 1.00 0.25 O ATOM 1838 CB SER B 14 -7.473 -8.035 8.726 1.00 0.31 C ATOM 1839 OG SER B 14 -6.472 -8.970 8.363 1.00 1.18 O ATOM 0 H SER B 14 -6.194 -6.859 6.990 1.00 0.26 H new ATOM 0 HA SER B 14 -8.680 -8.239 6.960 1.00 0.26 H new ATOM 0 HB2 SER B 14 -7.032 -7.234 9.320 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.222 -8.521 9.352 1.00 0.31 H new ATOM 0 HG SER B 14 -6.055 -9.333 9.172 1.00 1.18 H new ATOM 1845 N THR B 15 -8.690 -5.134 7.955 1.00 0.28 N ATOM 1846 CA THR B 15 -9.559 -4.000 8.209 1.00 0.32 C ATOM 1847 C THR B 15 -10.666 -3.959 7.160 1.00 0.28 C ATOM 1848 O THR B 15 -11.838 -3.691 7.454 1.00 0.29 O ATOM 1849 CB THR B 15 -8.775 -2.682 8.168 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.712 -2.721 9.131 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.695 -1.510 8.459 1.00 0.93 C ATOM 0 H THR B 15 -7.706 -4.890 7.847 1.00 0.28 H new ATOM 0 HA THR B 15 -9.989 -4.117 9.204 1.00 0.32 H new ATOM 0 HB THR B 15 -8.353 -2.554 7.171 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.209 -3.556 9.030 1.00 0.59 H new ATOM 0 HG21 THR B 15 -9.124 -0.582 8.426 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.487 -1.475 7.711 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.135 -1.630 9.449 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.269 -4.262 5.932 1.00 0.27 N ATOM 1860 CA PHE B 16 -11.187 -4.324 4.815 1.00 0.27 C ATOM 1861 C PHE B 16 -12.298 -5.320 5.074 1.00 0.29 C ATOM 1862 O PHE B 16 -13.465 -4.940 5.126 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.444 -4.677 3.530 1.00 0.34 C ATOM 1864 CG PHE B 16 -11.346 -4.804 2.340 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.923 -6.017 2.020 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -11.613 -3.713 1.545 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -12.750 -6.138 0.928 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -12.439 -3.828 0.450 1.00 2.27 C ATOM 1869 CZ PHE B 16 -13.007 -5.043 0.143 1.00 2.36 C ATOM 0 H PHE B 16 -9.301 -4.471 5.687 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.638 -3.339 4.698 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.695 -3.911 3.329 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.909 -5.616 3.674 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.722 -6.882 2.635 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -11.170 -2.757 1.783 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -13.196 -7.092 0.689 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -12.641 -2.965 -0.168 1.00 2.27 H new ATOM 0 HZ PHE B 16 -13.655 -5.134 -0.716 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.943 -6.591 5.267 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.974 -7.623 5.421 1.00 0.40 C ATOM 1881 C HIS B 17 -13.844 -7.364 6.652 1.00 0.36 C ATOM 1882 O HIS B 17 -14.944 -7.906 6.769 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.376 -9.044 5.440 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.604 -9.437 6.675 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -10.312 -9.918 6.626 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -11.969 -9.495 7.980 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -9.922 -10.252 7.841 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.907 -10.006 8.682 1.00 2.20 N ATOM 0 H HIS B 17 -10.981 -6.926 5.320 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.617 -7.563 4.543 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -13.189 -9.757 5.306 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.716 -9.147 4.579 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -12.921 -9.194 8.391 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -8.957 -10.659 8.103 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -10.883 -10.169 9.689 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.345 -6.526 7.553 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.098 -6.107 8.725 1.00 0.39 C ATOM 1899 C LYS B 18 -15.310 -5.267 8.321 1.00 0.37 C ATOM 1900 O LYS B 18 -16.416 -5.483 8.814 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.189 -5.306 9.662 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.926 -4.597 10.786 1.00 0.54 C ATOM 1903 CD LYS B 18 -12.972 -3.813 11.678 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.184 -2.785 10.883 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.429 -1.847 11.756 1.00 1.28 N ATOM 0 H LYS B 18 -12.411 -6.120 7.491 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.459 -6.995 9.244 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.449 -5.979 10.095 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.643 -4.566 9.076 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.669 -3.920 10.364 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.466 -5.329 11.386 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.537 -3.312 12.464 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.283 -4.501 12.169 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.488 -3.299 10.220 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.867 -2.218 10.251 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -11.120 -1.026 11.198 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -12.041 -1.527 12.533 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.597 -2.332 12.148 1.00 1.28 H new ATOM 1919 N TYR B 19 -15.094 -4.314 7.420 1.00 0.29 N ATOM 1920 CA TYR B 19 -16.168 -3.431 6.968 1.00 0.29 C ATOM 1921 C TYR B 19 -16.951 -4.027 5.806 1.00 0.33 C ATOM 1922 O TYR B 19 -18.160 -3.835 5.709 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.617 -2.069 6.572 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.372 -1.149 7.742 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.183 -1.197 8.449 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -16.334 -0.231 8.139 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -13.960 -0.356 9.518 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -16.116 0.614 9.207 1.00 1.26 C ATOM 1929 CZ TYR B 19 -14.926 0.547 9.892 1.00 0.62 C ATOM 1930 OH TYR B 19 -14.696 1.384 10.954 1.00 0.79 O ATOM 0 H TYR B 19 -14.188 -4.132 6.988 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.853 -3.313 7.808 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.682 -2.209 6.030 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.315 -1.590 5.885 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.419 -1.903 8.159 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -17.270 -0.177 7.602 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -13.028 -0.407 10.061 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -16.875 1.323 9.503 1.00 1.26 H new ATOM 0 HH TYR B 19 -13.752 1.648 10.964 1.00 0.79 H new ATOM 1940 N SER B 20 -16.269 -4.729 4.919 1.00 0.29 N ATOM 1941 CA SER B 20 -16.922 -5.337 3.770 1.00 0.32 C ATOM 1942 C SER B 20 -17.999 -6.313 4.210 1.00 0.40 C ATOM 1943 O SER B 20 -19.158 -6.191 3.822 1.00 0.60 O ATOM 1944 CB SER B 20 -15.881 -6.045 2.914 1.00 0.35 C ATOM 1945 OG SER B 20 -14.806 -5.174 2.653 1.00 0.86 O ATOM 0 H SER B 20 -15.264 -4.893 4.971 1.00 0.29 H new ATOM 0 HA SER B 20 -17.402 -4.554 3.183 1.00 0.32 H new ATOM 0 HB2 SER B 20 -15.522 -6.938 3.426 1.00 0.35 H new ATOM 0 HB3 SER B 20 -16.330 -6.374 1.977 1.00 0.35 H new ATOM 0 HG SER B 20 -13.982 -5.694 2.545 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.630 -7.242 5.078 1.00 0.37 N ATOM 1952 CA GLY B 21 -18.547 -8.294 5.459 1.00 0.43 C ATOM 1953 C GLY B 21 -19.576 -7.857 6.484 1.00 0.41 C ATOM 1954 O GLY B 21 -19.997 -8.651 7.325 1.00 0.46 O ATOM 0 H GLY B 21 -16.714 -7.286 5.524 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -19.063 -8.656 4.569 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.979 -9.133 5.861 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.980 -6.597 6.425 1.00 0.41 N ATOM 1959 CA LYS B 22 -21.047 -6.107 7.282 1.00 0.46 C ATOM 1960 C LYS B 22 -22.351 -6.067 6.496 1.00 0.52 C ATOM 1961 O LYS B 22 -23.403 -6.484 6.980 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.744 -4.711 7.809 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.379 -4.558 8.445 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.145 -3.135 8.940 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.467 -2.082 7.880 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.809 -1.484 8.099 1.00 1.08 N ATOM 0 H LYS B 22 -19.586 -5.898 5.795 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.133 -6.785 8.131 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.828 -4.001 6.987 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.504 -4.441 8.542 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.286 -5.254 9.279 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.608 -4.823 7.721 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -19.759 -2.956 9.823 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.105 -3.028 9.248 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.710 -1.298 7.902 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -19.427 -2.536 6.890 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.772 -0.465 7.895 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.499 -1.939 7.468 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.096 -1.629 9.088 1.00 1.08 H new ATOM 1980 N GLU B 23 -22.256 -5.554 5.278 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.390 -5.437 4.376 1.00 0.54 C ATOM 1982 C GLU B 23 -22.897 -5.612 2.945 1.00 0.58 C ATOM 1983 O GLU B 23 -21.739 -5.318 2.653 1.00 0.64 O ATOM 1984 CB GLU B 23 -24.059 -4.067 4.555 1.00 0.67 C ATOM 1985 CG GLU B 23 -25.209 -3.794 3.599 1.00 1.15 C ATOM 1986 CD GLU B 23 -26.350 -4.771 3.769 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.343 -5.826 3.102 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -27.261 -4.489 4.572 1.00 2.38 O ATOM 0 H GLU B 23 -21.382 -5.205 4.886 1.00 0.47 H new ATOM 0 HA GLU B 23 -24.128 -6.207 4.599 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -24.428 -3.988 5.578 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.305 -3.290 4.427 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.577 -2.780 3.759 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -24.843 -3.843 2.573 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.760 -6.097 2.064 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.372 -6.308 0.684 1.00 0.85 C ATOM 1997 C GLY B 24 -22.398 -7.459 0.530 1.00 0.79 C ATOM 1998 O GLY B 24 -22.628 -8.550 1.058 1.00 0.92 O ATOM 0 H GLY B 24 -24.724 -6.349 2.281 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.261 -6.505 0.085 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.919 -5.397 0.293 1.00 0.85 H new ATOM 2002 N ASP B 25 -21.303 -7.214 -0.177 1.00 0.71 N ATOM 2003 CA ASP B 25 -20.299 -8.245 -0.419 1.00 0.70 C ATOM 2004 C ASP B 25 -19.359 -8.364 0.766 1.00 0.73 C ATOM 2005 O ASP B 25 -19.141 -7.400 1.485 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.465 -7.897 -1.639 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.021 -9.122 -2.407 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -17.977 -9.710 -2.054 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -19.724 -9.506 -3.365 1.00 1.75 O ATOM 0 H ASP B 25 -21.086 -6.309 -0.594 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.827 -9.186 -0.576 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -20.044 -7.249 -2.298 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.588 -7.331 -1.326 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.787 -9.540 0.949 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.839 -9.761 2.026 1.00 0.56 C ATOM 2016 C LYS B 26 -16.415 -9.563 1.516 1.00 0.49 C ATOM 2017 O LYS B 26 -15.449 -9.611 2.275 1.00 0.55 O ATOM 2018 CB LYS B 26 -18.022 -11.173 2.585 1.00 0.71 C ATOM 2019 CG LYS B 26 -17.977 -11.252 4.096 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.583 -11.025 4.665 1.00 0.70 C ATOM 2021 CE LYS B 26 -15.616 -12.138 4.275 1.00 0.94 C ATOM 2022 NZ LYS B 26 -16.021 -13.457 4.835 1.00 1.56 N ATOM 0 H LYS B 26 -18.963 -10.358 0.365 1.00 0.61 H new ATOM 0 HA LYS B 26 -18.020 -9.041 2.824 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.978 -11.567 2.240 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.244 -11.818 2.175 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -18.658 -10.510 4.513 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -18.338 -12.230 4.414 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.198 -10.069 4.309 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -16.641 -10.960 5.752 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -15.564 -12.207 3.188 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -14.615 -11.887 4.627 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -15.236 -14.132 4.736 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -16.260 -13.348 5.841 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.851 -13.813 4.319 1.00 1.56 H new ATOM 2036 N PHE B 27 -16.300 -9.329 0.220 1.00 0.45 N ATOM 2037 CA PHE B 27 -15.007 -9.149 -0.416 1.00 0.43 C ATOM 2038 C PHE B 27 -14.958 -7.813 -1.133 1.00 0.39 C ATOM 2039 O PHE B 27 -13.977 -7.495 -1.806 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.723 -10.280 -1.413 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.498 -11.628 -0.781 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -15.567 -12.406 -0.370 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -13.213 -12.118 -0.606 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -15.359 -13.644 0.205 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -13.000 -13.354 -0.030 1.00 1.59 C ATOM 2046 CZ PHE B 27 -14.074 -14.118 0.376 1.00 1.65 C ATOM 0 H PHE B 27 -17.094 -9.259 -0.417 1.00 0.45 H new ATOM 0 HA PHE B 27 -14.243 -9.171 0.361 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -15.560 -10.354 -2.107 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.843 -10.017 -2.001 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -16.575 -12.040 -0.501 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -12.368 -11.525 -0.924 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -16.202 -14.241 0.521 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -11.993 -13.722 0.103 1.00 1.59 H new ATOM 0 HZ PHE B 27 -13.910 -15.086 0.827 1.00 1.65 H new ATOM 2056 N LYS B 28 -16.018 -7.027 -0.972 1.00 0.38 N ATOM 2057 CA LYS B 28 -16.138 -5.747 -1.644 1.00 0.36 C ATOM 2058 C LYS B 28 -16.944 -4.770 -0.809 1.00 0.34 C ATOM 2059 O LYS B 28 -17.921 -5.137 -0.158 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.772 -5.889 -3.027 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.899 -6.596 -4.045 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.470 -6.465 -5.441 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.611 -7.192 -6.458 1.00 0.86 C ATOM 2064 NZ LYS B 28 -16.153 -7.065 -7.835 1.00 1.70 N ATOM 0 H LYS B 28 -16.811 -7.261 -0.375 1.00 0.38 H new ATOM 0 HA LYS B 28 -15.127 -5.359 -1.771 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.710 -6.435 -2.929 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -17.019 -4.897 -3.404 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.893 -6.176 -4.020 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.811 -7.650 -3.783 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.482 -6.869 -5.462 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.542 -5.411 -5.709 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.597 -6.792 -6.429 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.545 -8.246 -6.190 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -15.425 -7.347 -8.522 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -16.984 -7.681 -7.939 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -16.430 -6.078 -8.009 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.509 -3.528 -0.834 1.00 0.31 N ATOM 2079 CA LEU B 29 -17.146 -2.467 -0.093 1.00 0.28 C ATOM 2080 C LEU B 29 -18.133 -1.724 -0.957 1.00 0.30 C ATOM 2081 O LEU B 29 -17.756 -0.965 -1.850 1.00 0.33 O ATOM 2082 CB LEU B 29 -16.106 -1.481 0.416 1.00 0.26 C ATOM 2083 CG LEU B 29 -15.146 -2.027 1.449 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.937 -1.127 1.541 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.833 -2.131 2.798 1.00 0.25 C ATOM 0 H LEU B 29 -15.698 -3.227 -1.374 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.672 -2.920 0.747 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.530 -1.116 -0.434 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.623 -0.622 0.843 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.824 -3.024 1.149 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -13.246 -1.521 2.286 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -13.440 -1.084 0.572 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -14.251 -0.125 1.832 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -15.132 -2.525 3.534 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -16.171 -1.143 3.111 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.690 -2.799 2.719 1.00 0.25 H new ATOM 2097 N ASN B 30 -19.389 -1.937 -0.668 1.00 0.31 N ATOM 2098 CA ASN B 30 -20.458 -1.162 -1.250 1.00 0.35 C ATOM 2099 C ASN B 30 -20.376 0.239 -0.688 1.00 0.32 C ATOM 2100 O ASN B 30 -19.712 0.440 0.327 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.792 -1.823 -0.918 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.889 -2.202 0.547 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -21.238 -3.302 0.922 1.00 0.55 O flip ATOM 2104 ND2 ASN B 30 -22.495 -1.487 1.344 1.00 0.42 N flip ATOM 0 H ASN B 30 -19.704 -2.657 -0.018 1.00 0.31 H new ATOM 0 HA ASN B 30 -20.371 -1.114 -2.335 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -22.606 -1.144 -1.171 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.918 -2.715 -1.532 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -22.981 -0.653 1.014 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -22.512 -1.728 2.335 1.00 0.42 H new ATOM 2111 N LYS B 31 -21.023 1.201 -1.333 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.858 2.601 -0.951 1.00 0.34 C ATOM 2113 C LYS B 31 -21.042 2.791 0.550 1.00 0.31 C ATOM 2114 O LYS B 31 -20.311 3.547 1.184 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.872 3.503 -1.639 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.779 3.596 -3.147 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.634 4.757 -3.636 1.00 0.71 C ATOM 2118 CE LYS B 31 -23.027 4.619 -5.096 1.00 1.15 C ATOM 2119 NZ LYS B 31 -23.972 3.490 -5.317 1.00 1.99 N ATOM 0 H LYS B 31 -21.660 1.043 -2.114 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.847 2.872 -1.255 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.871 3.153 -1.380 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.769 4.507 -1.228 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.742 3.741 -3.450 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -22.117 2.665 -3.601 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.535 4.822 -3.026 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.087 5.690 -3.497 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -23.486 5.547 -5.437 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -22.132 4.466 -5.699 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -24.434 3.600 -6.242 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.450 2.591 -5.296 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -24.693 3.489 -4.568 1.00 1.99 H new ATOM 2133 N SER B 32 -22.033 2.099 1.096 1.00 0.34 N ATOM 2134 CA SER B 32 -22.367 2.193 2.507 1.00 0.37 C ATOM 2135 C SER B 32 -21.163 1.847 3.373 1.00 0.34 C ATOM 2136 O SER B 32 -20.711 2.659 4.187 1.00 0.37 O ATOM 2137 CB SER B 32 -23.536 1.253 2.819 1.00 0.45 C ATOM 2138 OG SER B 32 -23.841 1.244 4.200 1.00 1.33 O ATOM 0 H SER B 32 -22.627 1.457 0.571 1.00 0.34 H new ATOM 0 HA SER B 32 -22.659 3.219 2.732 1.00 0.37 H new ATOM 0 HB2 SER B 32 -24.415 1.564 2.254 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.288 0.243 2.494 1.00 0.45 H new ATOM 0 HG SER B 32 -23.167 0.719 4.680 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.635 0.653 3.172 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.531 0.173 3.975 1.00 0.34 C ATOM 2146 C GLU B 33 -18.259 0.941 3.621 1.00 0.30 C ATOM 2147 O GLU B 33 -17.419 1.200 4.486 1.00 0.32 O ATOM 2148 CB GLU B 33 -19.311 -1.323 3.760 1.00 0.44 C ATOM 2149 CG GLU B 33 -20.521 -2.242 4.005 1.00 0.59 C ATOM 2150 CD GLU B 33 -21.556 -1.766 5.017 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -22.196 -0.718 4.814 1.00 2.32 O ATOM 2152 OE2 GLU B 33 -21.776 -2.489 6.002 1.00 2.15 O ATOM 0 H GLU B 33 -20.955 -0.001 2.458 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.773 0.337 5.025 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.972 -1.473 2.735 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -18.501 -1.645 4.414 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -21.026 -2.399 3.052 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.149 -3.213 4.332 1.00 0.59 H new ATOM 2159 N LEU B 34 -18.129 1.302 2.341 1.00 0.30 N ATOM 2160 CA LEU B 34 -17.014 2.108 1.867 1.00 0.33 C ATOM 2161 C LEU B 34 -16.956 3.420 2.643 1.00 0.29 C ATOM 2162 O LEU B 34 -15.903 3.809 3.136 1.00 0.30 O ATOM 2163 CB LEU B 34 -17.165 2.393 0.367 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.988 3.123 -0.281 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.803 2.183 -0.404 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.380 3.689 -1.641 1.00 0.54 C ATOM 0 H LEU B 34 -18.793 1.042 1.612 1.00 0.30 H new ATOM 0 HA LEU B 34 -16.088 1.557 2.028 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -17.315 1.447 -0.153 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -18.067 2.986 0.216 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.704 3.962 0.354 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.968 2.709 -0.866 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.510 1.836 0.587 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -15.079 1.328 -1.021 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.526 4.203 -2.081 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.692 2.876 -2.297 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -17.203 4.393 -1.519 1.00 0.54 H new ATOM 2178 N LYS B 35 -18.105 4.087 2.750 1.00 0.28 N ATOM 2179 CA LYS B 35 -18.220 5.320 3.526 1.00 0.29 C ATOM 2180 C LYS B 35 -17.662 5.151 4.929 1.00 0.29 C ATOM 2181 O LYS B 35 -16.774 5.896 5.348 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.678 5.762 3.633 1.00 0.32 C ATOM 2183 CG LYS B 35 -20.187 6.532 2.433 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.673 6.824 2.554 1.00 0.51 C ATOM 2185 CE LYS B 35 -22.100 7.967 1.647 1.00 0.70 C ATOM 2186 NZ LYS B 35 -23.571 8.187 1.695 1.00 1.29 N ATOM 0 H LYS B 35 -18.974 3.791 2.306 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.641 6.078 2.999 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -20.303 4.880 3.776 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.793 6.381 4.523 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.637 7.468 2.339 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -20.000 5.959 1.525 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -22.241 5.928 2.302 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.912 7.072 3.588 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.585 8.880 1.946 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.797 7.751 0.622 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.834 8.928 1.014 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -24.062 7.303 1.452 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.847 8.484 2.653 1.00 1.29 H new ATOM 2200 N GLU B 36 -18.184 4.170 5.650 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.796 3.955 7.034 1.00 0.32 C ATOM 2202 C GLU B 36 -16.318 3.650 7.141 1.00 0.31 C ATOM 2203 O GLU B 36 -15.627 4.187 7.996 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.594 2.817 7.648 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.082 3.015 7.521 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.872 1.928 8.216 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.011 1.979 9.456 1.00 1.31 O ATOM 2208 OE2 GLU B 36 -21.350 1.010 7.529 1.00 1.14 O ATOM 0 H GLU B 36 -18.878 3.510 5.298 1.00 0.29 H new ATOM 0 HA GLU B 36 -18.008 4.874 7.581 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.314 1.881 7.165 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.333 2.723 8.702 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.354 3.983 7.942 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.353 3.039 6.466 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.839 2.787 6.269 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.441 2.423 6.269 1.00 0.26 C ATOM 2217 C LEU B 37 -13.572 3.648 5.977 1.00 0.27 C ATOM 2218 O LEU B 37 -12.598 3.891 6.661 1.00 0.31 O ATOM 2219 CB LEU B 37 -14.194 1.315 5.241 1.00 0.24 C ATOM 2220 CG LEU B 37 -13.043 0.363 5.573 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -13.113 -0.883 4.720 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.721 1.039 5.349 1.00 0.50 C ATOM 0 H LEU B 37 -16.399 2.326 5.552 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.168 2.047 7.255 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -15.108 0.731 5.134 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.995 1.777 4.274 1.00 0.24 H new ATOM 0 HG LEU B 37 -13.135 0.083 6.622 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -12.285 -1.545 4.974 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -14.057 -1.397 4.903 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -13.048 -0.607 3.667 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.913 0.348 5.590 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.640 1.342 4.305 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.649 1.918 5.989 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.942 4.437 4.987 1.00 0.27 N ATOM 2235 CA LEU B 38 -13.173 5.630 4.654 1.00 0.29 C ATOM 2236 C LEU B 38 -13.173 6.637 5.802 1.00 0.30 C ATOM 2237 O LEU B 38 -12.120 7.043 6.275 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.717 6.277 3.384 1.00 0.31 C ATOM 2239 CG LEU B 38 -13.007 5.884 2.087 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.536 6.248 2.155 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -13.166 4.399 1.810 1.00 0.43 C ATOM 0 H LEU B 38 -14.762 4.280 4.401 1.00 0.27 H new ATOM 0 HA LEU B 38 -12.142 5.321 4.482 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.773 6.022 3.291 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.659 7.360 3.495 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.469 6.438 1.269 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -11.047 5.961 1.224 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.434 7.323 2.303 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -11.069 5.722 2.987 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.652 4.145 0.883 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.735 3.827 2.632 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -14.225 4.158 1.716 1.00 0.43 H new ATOM 2253 N THR B 39 -14.357 7.048 6.228 1.00 0.31 N ATOM 2254 CA THR B 39 -14.505 7.949 7.370 1.00 0.33 C ATOM 2255 C THR B 39 -13.729 7.484 8.610 1.00 0.34 C ATOM 2256 O THR B 39 -13.031 8.269 9.252 1.00 0.38 O ATOM 2257 CB THR B 39 -15.988 8.087 7.760 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.549 6.800 8.037 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.790 8.736 6.649 1.00 0.34 C ATOM 0 H THR B 39 -15.240 6.771 5.798 1.00 0.31 H new ATOM 0 HA THR B 39 -14.094 8.905 7.047 1.00 0.33 H new ATOM 0 HB THR B 39 -16.035 8.716 8.649 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.674 6.310 7.198 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.833 8.820 6.954 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.391 9.730 6.445 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.723 8.126 5.748 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.865 6.209 8.933 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.356 5.657 10.184 1.00 0.36 C ATOM 2269 C ARG B 40 -11.917 5.188 10.080 1.00 0.40 C ATOM 2270 O ARG B 40 -11.132 5.362 11.015 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.266 4.509 10.609 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.520 4.977 11.320 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.514 3.845 11.462 1.00 0.56 C ATOM 2274 NE ARG B 40 -17.797 4.296 11.989 1.00 1.16 N ATOM 2275 CZ ARG B 40 -18.955 3.713 11.698 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -18.970 2.619 10.951 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.091 4.210 12.171 1.00 2.31 N ATOM 0 H ARG B 40 -14.331 5.525 8.337 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.360 6.448 10.934 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.549 3.932 9.728 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.712 3.838 11.266 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.261 5.365 12.305 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.974 5.797 10.764 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.668 3.376 10.490 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.101 3.082 12.122 1.00 0.56 H new ATOM 0 HE ARG B 40 -17.806 5.102 12.614 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.095 2.228 10.602 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -19.856 2.168 10.725 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.077 5.042 12.760 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -20.978 3.760 11.945 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.570 4.601 8.957 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.257 4.024 8.786 1.00 0.46 C ATOM 2293 C GLU B 41 -9.336 4.966 8.014 1.00 0.54 C ATOM 2294 O GLU B 41 -8.134 4.766 7.972 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.371 2.692 8.062 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.481 1.779 8.592 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.402 1.481 10.085 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -10.670 0.553 10.486 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -12.120 2.139 10.868 1.00 1.30 O ATOM 0 H GLU B 41 -12.182 4.511 8.146 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.822 3.864 9.772 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.547 2.881 7.003 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.418 2.168 8.138 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.445 2.240 8.378 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.450 0.837 8.045 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.886 5.982 7.386 1.00 0.40 N ATOM 2307 CA LEU B 42 -9.053 7.036 6.818 1.00 0.41 C ATOM 2308 C LEU B 42 -9.481 8.422 7.298 1.00 0.37 C ATOM 2309 O LEU B 42 -9.824 9.284 6.490 1.00 0.35 O ATOM 2310 CB LEU B 42 -9.049 6.964 5.286 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.979 6.041 4.695 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.263 5.723 3.255 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.611 6.667 4.783 1.00 0.74 C ATOM 0 H LEU B 42 -10.890 6.107 7.253 1.00 0.40 H new ATOM 0 HA LEU B 42 -8.035 6.871 7.172 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -10.029 6.626 4.948 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.904 7.968 4.888 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.002 5.122 5.281 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.484 5.066 2.867 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.230 5.226 3.176 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -8.281 6.646 2.675 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.872 5.989 4.356 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.604 7.606 4.230 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.366 6.860 5.827 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.474 8.661 8.630 1.00 0.40 N ATOM 2326 CA PRO B 43 -9.728 9.983 9.198 1.00 0.43 C ATOM 2327 C PRO B 43 -8.857 11.058 8.588 1.00 0.45 C ATOM 2328 O PRO B 43 -9.320 12.155 8.306 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.353 9.817 10.659 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.619 8.390 10.950 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.264 7.655 9.692 1.00 0.44 C ATOM 0 HA PRO B 43 -10.757 10.296 9.022 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.307 10.069 10.831 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -9.947 10.470 11.298 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.019 8.042 11.791 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.664 8.231 11.216 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.233 7.302 9.711 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.898 6.780 9.546 1.00 0.44 H new ATOM 2339 N SER B 44 -7.592 10.750 8.380 1.00 0.45 N ATOM 2340 CA SER B 44 -6.690 11.731 7.835 1.00 0.47 C ATOM 2341 C SER B 44 -7.048 11.967 6.381 1.00 0.44 C ATOM 2342 O SER B 44 -7.471 13.067 5.989 1.00 0.45 O ATOM 2343 CB SER B 44 -5.248 11.247 7.957 1.00 0.51 C ATOM 2344 OG SER B 44 -4.327 12.219 7.488 1.00 0.59 O ATOM 0 H SER B 44 -7.175 9.841 8.578 1.00 0.45 H new ATOM 0 HA SER B 44 -6.781 12.665 8.390 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.030 11.012 8.999 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.124 10.325 7.389 1.00 0.51 H new ATOM 0 HG SER B 44 -3.414 11.877 7.582 1.00 0.59 H new ATOM 2350 N PHE B 45 -6.987 10.889 5.617 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.183 10.967 4.175 1.00 0.41 C ATOM 2352 C PHE B 45 -8.582 11.447 3.817 1.00 0.41 C ATOM 2353 O PHE B 45 -8.753 12.495 3.192 1.00 0.46 O ATOM 2354 CB PHE B 45 -6.930 9.629 3.500 1.00 0.45 C ATOM 2355 CG PHE B 45 -6.769 9.772 2.011 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -7.871 9.738 1.170 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -5.517 9.968 1.455 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -7.724 9.893 -0.195 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -5.363 10.126 0.090 1.00 2.38 C ATOM 2360 CZ PHE B 45 -6.469 10.087 -0.736 1.00 2.40 C ATOM 0 H PHE B 45 -6.804 9.949 5.969 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.457 11.693 3.811 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.033 9.175 3.920 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -7.759 8.953 3.712 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -8.856 9.589 1.587 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -4.648 9.998 2.096 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -8.591 9.862 -0.839 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -4.380 10.280 -0.329 1.00 2.38 H new ATOM 0 HZ PHE B 45 -6.352 10.208 -1.803 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.585 10.683 4.213 1.00 0.45 N ATOM 2371 CA LEU B 46 -10.947 10.977 3.810 1.00 0.57 C ATOM 2372 C LEU B 46 -11.608 11.912 4.801 1.00 0.65 C ATOM 2373 O LEU B 46 -12.514 12.644 4.440 1.00 0.66 O ATOM 2374 CB LEU B 46 -11.771 9.696 3.664 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.610 9.588 2.386 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.930 10.297 2.580 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.860 10.159 1.188 1.00 0.54 C ATOM 0 H LEU B 46 -9.483 9.861 4.808 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.905 11.468 2.838 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.093 8.843 3.705 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.438 9.615 4.522 1.00 0.67 H new ATOM 0 HG LEU B 46 -12.801 8.534 2.183 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -14.523 10.218 1.669 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -14.472 9.838 3.407 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -13.749 11.348 2.805 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -12.479 10.069 0.295 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -11.633 11.210 1.368 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.932 9.607 1.043 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.141 11.908 6.046 1.00 0.74 N ATOM 2390 CA GLY B 47 -11.689 12.818 7.036 1.00 0.90 C ATOM 2391 C GLY B 47 -11.437 14.260 6.657 1.00 0.89 C ATOM 2392 O GLY B 47 -12.081 15.172 7.176 1.00 0.99 O ATOM 0 H GLY B 47 -10.399 11.296 6.385 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -12.761 12.648 7.135 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -11.242 12.612 8.009 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.478 14.459 5.758 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.241 15.765 5.166 1.00 0.82 C ATOM 2398 C LYS B 48 -11.436 16.210 4.312 1.00 0.78 C ATOM 2399 O LYS B 48 -11.657 17.406 4.125 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.987 15.706 4.303 1.00 0.81 C ATOM 2401 CG LYS B 48 -8.465 17.071 3.875 1.00 1.08 C ATOM 2402 CD LYS B 48 -7.184 16.961 3.059 1.00 1.51 C ATOM 2403 CE LYS B 48 -7.411 16.232 1.743 1.00 2.27 C ATOM 2404 NZ LYS B 48 -6.173 16.171 0.920 1.00 3.17 N ATOM 0 H LYS B 48 -9.851 13.727 5.424 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.108 16.491 5.968 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.204 15.185 4.854 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.199 15.114 3.413 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -9.227 17.582 3.287 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -8.281 17.682 4.759 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -6.794 17.959 2.859 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -6.427 16.434 3.640 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -7.763 15.220 1.945 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -8.196 16.736 1.180 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -6.371 15.666 0.032 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -5.851 17.136 0.705 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -5.431 15.667 1.446 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.208 15.245 3.807 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.359 15.541 2.955 1.00 0.81 C ATOM 2420 C ARG B 49 -14.249 14.301 2.811 1.00 0.74 C ATOM 2421 O ARG B 49 -14.156 13.561 1.831 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.877 16.039 1.582 1.00 0.95 C ATOM 2423 CG ARG B 49 -13.947 16.738 0.755 1.00 1.17 C ATOM 2424 CD ARG B 49 -14.697 15.774 -0.145 1.00 1.01 C ATOM 2425 NE ARG B 49 -15.786 16.435 -0.862 1.00 1.61 N ATOM 2426 CZ ARG B 49 -16.010 16.314 -2.171 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -15.204 15.576 -2.928 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -17.041 16.939 -2.728 1.00 2.50 N ATOM 0 H ARG B 49 -12.055 14.251 3.975 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.954 16.328 3.418 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -12.044 16.726 1.730 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -12.494 15.190 1.015 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -14.653 17.234 1.422 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -13.484 17.515 0.147 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -14.005 15.333 -0.862 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -15.099 14.957 0.453 1.00 1.01 H new ATOM 0 HE ARG B 49 -16.417 17.029 -0.325 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -14.407 15.097 -2.508 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -15.382 15.489 -3.928 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -17.661 17.511 -2.155 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -17.213 16.847 -3.729 1.00 2.50 H new ATOM 2442 N THR B 50 -15.107 14.079 3.798 1.00 0.75 N ATOM 2443 CA THR B 50 -15.959 12.889 3.838 1.00 0.72 C ATOM 2444 C THR B 50 -17.338 13.130 3.215 1.00 0.82 C ATOM 2445 O THR B 50 -18.361 12.790 3.815 1.00 1.33 O ATOM 2446 CB THR B 50 -16.170 12.418 5.284 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.415 13.543 6.140 1.00 0.83 O ATOM 2448 CG2 THR B 50 -14.964 11.642 5.776 1.00 0.63 C ATOM 0 H THR B 50 -15.235 14.710 4.589 1.00 0.75 H new ATOM 0 HA THR B 50 -15.437 12.129 3.256 1.00 0.72 H new ATOM 0 HB THR B 50 -17.038 11.759 5.308 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.550 13.231 7.059 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.134 11.317 6.803 1.00 0.63 H new ATOM 0 HG22 THR B 50 -14.809 10.770 5.141 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.081 12.280 5.739 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.380 13.705 2.021 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.660 13.988 1.373 1.00 0.61 C ATOM 2458 C ASP B 51 -19.082 12.829 0.483 1.00 0.58 C ATOM 2459 O ASP B 51 -18.233 12.052 0.049 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.598 15.279 0.552 1.00 0.68 C ATOM 2461 CG ASP B 51 -18.367 16.502 1.411 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -19.127 16.707 2.377 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -17.423 17.268 1.123 1.00 1.77 O ATOM 0 H ASP B 51 -16.558 13.982 1.485 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.402 14.119 2.161 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.798 15.200 -0.184 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -19.529 15.399 -0.002 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.378 12.708 0.209 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.882 11.603 -0.607 1.00 0.71 C ATOM 2470 C GLU B 52 -20.225 11.597 -1.975 1.00 0.66 C ATOM 2471 O GLU B 52 -19.874 10.542 -2.501 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.398 11.672 -0.753 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.116 11.590 0.576 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.595 11.321 0.426 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.356 12.280 0.189 1.00 1.90 O ATOM 2476 OE2 GLU B 52 -24.997 10.145 0.541 1.00 1.82 O ATOM 0 H GLU B 52 -21.095 13.355 0.536 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.629 10.675 -0.095 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.669 12.603 -1.251 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.735 10.857 -1.394 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -22.667 10.800 1.178 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.974 12.525 1.119 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.043 12.786 -2.532 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.356 12.938 -3.806 1.00 0.76 C ATOM 2485 C ALA B 53 -17.956 12.337 -3.740 1.00 0.66 C ATOM 2486 O ALA B 53 -17.516 11.669 -4.673 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.279 14.405 -4.197 1.00 0.91 C ATOM 0 H ALA B 53 -20.363 13.662 -2.120 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.926 12.403 -4.565 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -18.762 14.500 -5.152 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.287 14.811 -4.287 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.733 14.957 -3.432 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.271 12.564 -2.626 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.932 12.027 -2.427 1.00 0.58 C ATOM 2495 C ALA B 54 -15.952 10.510 -2.486 1.00 0.48 C ATOM 2496 O ALA B 54 -15.191 9.910 -3.232 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.353 12.498 -1.103 1.00 0.64 C ATOM 0 H ALA B 54 -17.622 13.118 -1.845 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.295 12.397 -3.230 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.353 12.085 -0.976 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.299 13.587 -1.096 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -15.991 12.161 -0.286 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.830 9.901 -1.696 1.00 0.46 N ATOM 2504 CA PHE B 55 -17.009 8.449 -1.712 1.00 0.42 C ATOM 2505 C PHE B 55 -17.369 7.942 -3.102 1.00 0.44 C ATOM 2506 O PHE B 55 -16.826 6.950 -3.566 1.00 0.45 O ATOM 2507 CB PHE B 55 -18.110 8.041 -0.744 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.814 8.395 0.684 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.788 7.776 1.373 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.564 9.358 1.333 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.520 8.116 2.685 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -18.302 9.700 2.641 1.00 2.69 C ATOM 2513 CZ PHE B 55 -17.279 9.079 3.318 1.00 2.95 C ATOM 0 H PHE B 55 -17.432 10.390 -1.034 1.00 0.46 H new ATOM 0 HA PHE B 55 -16.060 8.006 -1.411 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -19.042 8.521 -1.043 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.267 6.965 -0.818 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.192 7.021 0.882 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.368 9.850 0.806 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.716 7.628 3.216 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -18.898 10.454 3.134 1.00 2.69 H new ATOM 0 HZ PHE B 55 -17.070 9.345 4.344 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.306 8.623 -3.739 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.763 8.276 -5.080 1.00 0.54 C ATOM 2525 C GLN B 56 -17.605 8.280 -6.077 1.00 0.53 C ATOM 2526 O GLN B 56 -17.414 7.314 -6.818 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.847 9.273 -5.492 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.235 9.238 -6.958 1.00 0.76 C ATOM 2529 CD GLN B 56 -20.847 7.921 -7.398 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -20.031 7.050 -7.968 1.00 1.69 O flip ATOM 2531 NE2 GLN B 56 -22.049 7.704 -7.258 1.00 0.87 N flip ATOM 0 H GLN B 56 -18.775 9.437 -3.341 1.00 0.48 H new ATOM 0 HA GLN B 56 -19.173 7.266 -5.077 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.738 9.085 -4.893 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.505 10.279 -5.247 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.944 10.042 -7.156 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -19.351 9.437 -7.563 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -22.645 8.402 -6.813 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -22.450 6.826 -7.587 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.833 9.356 -6.086 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.693 9.454 -6.985 1.00 0.51 C ATOM 2542 C LYS B 57 -14.611 8.459 -6.596 1.00 0.47 C ATOM 2543 O LYS B 57 -14.040 7.788 -7.453 1.00 0.47 O ATOM 2544 CB LYS B 57 -15.121 10.873 -7.001 1.00 0.55 C ATOM 2545 CG LYS B 57 -15.556 11.688 -8.210 1.00 0.76 C ATOM 2546 CD LYS B 57 -17.058 11.924 -8.232 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.471 13.037 -7.279 1.00 0.86 C ATOM 2548 NZ LYS B 57 -16.846 14.341 -7.629 1.00 1.60 N ATOM 0 H LYS B 57 -16.973 10.168 -5.486 1.00 0.51 H new ATOM 0 HA LYS B 57 -16.044 9.215 -7.989 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.430 11.391 -6.093 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -14.033 10.818 -6.982 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -15.039 12.648 -8.205 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -15.258 11.170 -9.122 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -17.371 12.178 -9.245 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -17.574 11.003 -7.961 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -18.556 13.141 -7.294 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -17.191 12.764 -6.262 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -17.390 15.114 -7.196 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -15.869 14.364 -7.274 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -16.841 14.458 -8.662 1.00 1.60 H new ATOM 2562 N LEU B 58 -14.349 8.352 -5.302 1.00 0.45 N ATOM 2563 CA LEU B 58 -13.335 7.443 -4.799 1.00 0.43 C ATOM 2564 C LEU B 58 -13.667 6.018 -5.181 1.00 0.42 C ATOM 2565 O LEU B 58 -12.802 5.271 -5.621 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.226 7.545 -3.283 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.960 6.939 -2.699 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.734 7.574 -3.330 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.942 7.116 -1.195 1.00 0.40 C ATOM 0 H LEU B 58 -14.829 8.888 -4.579 1.00 0.45 H new ATOM 0 HA LEU B 58 -12.381 7.724 -5.245 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.275 8.596 -2.998 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -14.089 7.052 -2.836 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.945 5.872 -2.920 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.834 7.131 -2.903 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.748 7.401 -4.406 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.738 8.646 -3.135 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.031 6.678 -0.788 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.973 8.178 -0.953 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.809 6.619 -0.760 1.00 0.40 H new ATOM 2581 N MET B 59 -14.924 5.654 -5.007 1.00 0.45 N ATOM 2582 CA MET B 59 -15.407 4.354 -5.423 1.00 0.48 C ATOM 2583 C MET B 59 -15.055 4.111 -6.874 1.00 0.48 C ATOM 2584 O MET B 59 -14.321 3.190 -7.182 1.00 0.48 O ATOM 2585 CB MET B 59 -16.913 4.252 -5.225 1.00 0.54 C ATOM 2586 CG MET B 59 -17.514 3.057 -5.938 1.00 0.57 C ATOM 2587 SD MET B 59 -18.519 3.560 -7.336 1.00 1.64 S ATOM 2588 CE MET B 59 -19.890 4.314 -6.477 1.00 2.39 C ATOM 0 H MET B 59 -15.633 6.248 -4.576 1.00 0.45 H new ATOM 0 HA MET B 59 -14.927 3.593 -4.808 1.00 0.48 H new ATOM 0 HB2 MET B 59 -17.132 4.183 -4.159 1.00 0.54 H new ATOM 0 HB3 MET B 59 -17.386 5.164 -5.589 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.716 2.398 -6.281 1.00 0.57 H new ATOM 0 HG3 MET B 59 -18.123 2.484 -5.239 1.00 0.57 H new ATOM 0 HE1 MET B 59 -20.692 4.523 -7.185 1.00 2.39 H new ATOM 0 HE2 MET B 59 -20.254 3.635 -5.706 1.00 2.39 H new ATOM 0 HE3 MET B 59 -19.562 5.245 -6.015 1.00 2.39 H new ATOM 2598 N SER B 60 -15.539 4.975 -7.748 1.00 0.49 N ATOM 2599 CA SER B 60 -15.274 4.850 -9.179 1.00 0.52 C ATOM 2600 C SER B 60 -13.768 4.825 -9.475 1.00 0.51 C ATOM 2601 O SER B 60 -13.336 4.320 -10.512 1.00 0.55 O ATOM 2602 CB SER B 60 -15.971 5.972 -9.958 1.00 0.55 C ATOM 2603 OG SER B 60 -15.684 7.251 -9.414 1.00 1.34 O ATOM 0 H SER B 60 -16.120 5.775 -7.496 1.00 0.49 H new ATOM 0 HA SER B 60 -15.685 3.897 -9.511 1.00 0.52 H new ATOM 0 HB2 SER B 60 -15.654 5.941 -11.000 1.00 0.55 H new ATOM 0 HB3 SER B 60 -17.048 5.806 -9.947 1.00 0.55 H new ATOM 0 HG SER B 60 -14.874 7.199 -8.865 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.972 5.379 -8.565 1.00 0.48 N ATOM 2610 CA ASN B 61 -11.524 5.371 -8.711 1.00 0.50 C ATOM 2611 C ASN B 61 -10.953 4.002 -8.388 1.00 0.49 C ATOM 2612 O ASN B 61 -10.173 3.439 -9.155 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.869 6.397 -7.781 1.00 0.49 C ATOM 2614 CG ASN B 61 -11.154 7.827 -8.177 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -11.352 8.133 -9.355 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -11.171 8.723 -7.199 1.00 0.57 N ATOM 0 H ASN B 61 -13.308 5.839 -7.719 1.00 0.48 H new ATOM 0 HA ASN B 61 -11.308 5.626 -9.748 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -11.221 6.232 -6.763 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.791 6.236 -7.775 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -11.353 9.704 -7.410 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -11.003 8.431 -6.236 1.00 0.57 H new ATOM 2623 N LEU B 62 -11.350 3.486 -7.239 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.813 2.242 -6.714 1.00 0.43 C ATOM 2625 C LEU B 62 -11.482 1.064 -7.392 1.00 0.48 C ATOM 2626 O LEU B 62 -10.816 0.196 -7.949 1.00 0.55 O ATOM 2627 CB LEU B 62 -11.060 2.179 -5.210 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.826 3.489 -4.464 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -11.060 3.306 -2.972 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -9.435 4.030 -4.754 1.00 0.35 C ATOM 0 H LEU B 62 -12.055 3.918 -6.642 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.741 2.201 -6.909 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -12.088 1.859 -5.039 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -10.412 1.414 -4.782 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.545 4.227 -4.820 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.888 4.252 -2.458 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -12.087 2.982 -2.802 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -10.373 2.553 -2.586 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -9.288 4.965 -4.213 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.688 3.304 -4.434 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -9.330 4.210 -5.824 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.808 1.080 -7.332 1.00 0.48 N ATOM 2643 CA ASP B 63 -13.675 0.091 -7.964 1.00 0.53 C ATOM 2644 C ASP B 63 -13.434 0.081 -9.473 1.00 0.57 C ATOM 2645 O ASP B 63 -14.160 0.690 -10.246 1.00 0.62 O ATOM 2646 CB ASP B 63 -15.134 0.451 -7.597 1.00 0.56 C ATOM 2647 CG ASP B 63 -16.219 -0.259 -8.385 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -16.362 -1.490 -8.267 1.00 1.24 O ATOM 2649 OD2 ASP B 63 -16.981 0.433 -9.093 1.00 1.34 O ATOM 0 H ASP B 63 -13.325 1.801 -6.829 1.00 0.48 H new ATOM 0 HA ASP B 63 -13.462 -0.918 -7.610 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -15.284 0.237 -6.539 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -15.264 1.525 -7.726 1.00 0.56 H new ATOM 2654 N SER B 64 -12.365 -0.592 -9.871 1.00 0.58 N ATOM 2655 CA SER B 64 -11.956 -0.665 -11.261 1.00 0.64 C ATOM 2656 C SER B 64 -12.800 -1.703 -11.975 1.00 0.65 C ATOM 2657 O SER B 64 -12.993 -1.657 -13.189 1.00 0.75 O ATOM 2658 CB SER B 64 -10.474 -1.023 -11.343 1.00 0.72 C ATOM 2659 OG SER B 64 -9.707 -0.180 -10.494 1.00 1.38 O ATOM 0 H SER B 64 -11.755 -1.105 -9.234 1.00 0.58 H new ATOM 0 HA SER B 64 -12.103 0.301 -11.743 1.00 0.64 H new ATOM 0 HB2 SER B 64 -10.330 -2.065 -11.056 1.00 0.72 H new ATOM 0 HB3 SER B 64 -10.127 -0.925 -12.372 1.00 0.72 H new ATOM 0 HG SER B 64 -10.065 -0.220 -9.583 1.00 1.38 H new ATOM 2665 N ASN B 65 -13.293 -2.643 -11.187 1.00 0.63 N ATOM 2666 CA ASN B 65 -14.244 -3.632 -11.658 1.00 0.72 C ATOM 2667 C ASN B 65 -15.597 -2.956 -11.890 1.00 0.69 C ATOM 2668 O ASN B 65 -16.471 -3.524 -12.549 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.377 -4.749 -10.617 1.00 0.79 C ATOM 2670 CG ASN B 65 -15.288 -4.353 -9.480 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.459 -4.723 -9.452 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.764 -3.606 -8.532 1.00 1.16 N ATOM 0 H ASN B 65 -13.044 -2.741 -10.203 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.897 -4.066 -12.596 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.764 -5.648 -11.096 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.392 -4.997 -10.223 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -15.335 -3.314 -7.739 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.787 -3.319 -8.591 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.731 -1.730 -11.379 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.921 -0.907 -11.555 1.00 0.60 C ATOM 2681 C ARG B 66 -18.210 -1.691 -11.384 1.00 0.60 C ATOM 2682 O ARG B 66 -19.029 -1.808 -12.306 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.893 -0.179 -12.888 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.811 0.888 -12.966 1.00 0.70 C ATOM 2685 CD ARG B 66 -16.075 2.042 -11.999 1.00 0.70 C ATOM 2686 NE ARG B 66 -15.220 3.193 -12.290 1.00 0.78 N ATOM 2687 CZ ARG B 66 -15.618 4.279 -12.953 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -16.861 4.370 -13.415 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -14.767 5.277 -13.153 1.00 1.15 N ATOM 0 H ARG B 66 -15.004 -1.278 -10.824 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.904 -0.163 -10.759 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.738 -0.904 -13.687 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.864 0.284 -13.062 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.843 0.440 -12.741 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.755 1.274 -13.984 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -17.122 2.340 -12.063 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -15.901 1.708 -10.976 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.254 3.163 -11.964 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -17.519 3.605 -13.263 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -17.157 5.205 -13.921 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -13.812 5.212 -12.800 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -15.067 6.110 -13.660 1.00 1.15 H new ATOM 2703 N ASP B 67 -18.357 -2.243 -10.198 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.607 -2.842 -9.760 1.00 0.61 C ATOM 2705 C ASP B 67 -20.113 -2.022 -8.585 1.00 0.56 C ATOM 2706 O ASP B 67 -21.168 -2.288 -8.006 1.00 0.57 O ATOM 2707 CB ASP B 67 -19.398 -4.303 -9.358 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.696 -5.047 -9.128 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -21.428 -5.297 -10.109 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.975 -5.421 -7.976 1.00 1.63 O ATOM 0 H ASP B 67 -17.611 -2.291 -9.505 1.00 0.58 H new ATOM 0 HA ASP B 67 -20.338 -2.838 -10.569 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.829 -4.810 -10.137 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.798 -4.341 -8.449 1.00 0.69 H new ATOM 2715 N ASN B 68 -19.310 -1.007 -8.261 1.00 0.53 N ATOM 2716 CA ASN B 68 -19.599 -0.032 -7.217 1.00 0.51 C ATOM 2717 C ASN B 68 -19.429 -0.630 -5.836 1.00 0.46 C ATOM 2718 O ASN B 68 -20.028 -0.173 -4.858 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.978 0.600 -7.406 1.00 0.58 C ATOM 2720 CG ASN B 68 -21.052 1.401 -8.693 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -19.899 1.848 -9.184 1.00 1.08 O flip ATOM 2722 ND2 ASN B 68 -22.131 1.605 -9.253 1.00 0.66 N flip ATOM 0 H ASN B 68 -18.420 -0.839 -8.731 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.868 0.772 -7.306 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.738 -0.181 -7.418 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -21.201 1.249 -6.559 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -22.994 1.245 -8.844 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -22.161 2.133 -10.125 1.00 0.66 H new ATOM 2729 N GLU B 69 -18.590 -1.649 -5.770 1.00 0.46 N ATOM 2730 CA GLU B 69 -18.122 -2.187 -4.511 1.00 0.42 C ATOM 2731 C GLU B 69 -16.620 -2.418 -4.620 1.00 0.40 C ATOM 2732 O GLU B 69 -16.164 -3.163 -5.486 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.815 -3.502 -4.145 1.00 0.46 C ATOM 2734 CG GLU B 69 -20.333 -3.449 -4.152 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.957 -4.683 -3.530 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -21.108 -4.720 -2.288 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -21.321 -5.616 -4.274 1.00 1.31 O ATOM 0 H GLU B 69 -18.215 -2.125 -6.591 1.00 0.46 H new ATOM 0 HA GLU B 69 -18.357 -1.471 -3.723 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -18.490 -4.274 -4.843 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.481 -3.808 -3.153 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.665 -2.564 -3.609 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.686 -3.345 -5.178 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.868 -1.781 -3.744 1.00 0.37 N ATOM 2745 CA VAL B 70 -14.401 -1.833 -3.801 1.00 0.36 C ATOM 2746 C VAL B 70 -13.855 -3.134 -3.215 1.00 0.35 C ATOM 2747 O VAL B 70 -14.129 -3.457 -2.069 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.785 -0.643 -3.037 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -12.288 -0.823 -2.856 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -14.074 0.660 -3.758 1.00 0.36 C ATOM 0 H VAL B 70 -16.239 -1.218 -2.979 1.00 0.37 H new ATOM 0 HA VAL B 70 -14.123 -1.782 -4.854 1.00 0.36 H new ATOM 0 HB VAL B 70 -14.244 -0.607 -2.049 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.882 0.031 -2.314 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -12.097 -1.735 -2.291 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.809 -0.894 -3.833 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.632 1.488 -3.204 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -13.646 0.624 -4.760 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -15.152 0.805 -3.829 1.00 0.36 H new ATOM 2760 N ASP B 71 -13.073 -3.868 -3.999 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.503 -5.141 -3.541 1.00 0.39 C ATOM 2762 C ASP B 71 -11.270 -4.903 -2.664 1.00 0.37 C ATOM 2763 O ASP B 71 -10.741 -3.794 -2.644 1.00 0.35 O ATOM 2764 CB ASP B 71 -12.156 -6.049 -4.739 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.660 -6.188 -5.004 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -10.021 -7.066 -4.393 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -10.118 -5.442 -5.829 1.00 1.35 O ATOM 0 H ASP B 71 -12.817 -3.609 -4.952 1.00 0.37 H new ATOM 0 HA ASP B 71 -13.254 -5.649 -2.937 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.576 -7.039 -4.564 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.637 -5.652 -5.633 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.836 -5.933 -1.921 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.647 -5.829 -1.060 1.00 0.44 C ATOM 2774 C PHE B 72 -8.496 -5.167 -1.807 1.00 0.40 C ATOM 2775 O PHE B 72 -7.823 -4.275 -1.293 1.00 0.42 O ATOM 2776 CB PHE B 72 -9.129 -7.199 -0.632 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.948 -8.002 0.334 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -11.049 -8.726 -0.090 1.00 1.69 C ATOM 2779 CD2 PHE B 72 -9.568 -8.085 1.665 1.00 1.70 C ATOM 2780 CE1 PHE B 72 -11.760 -9.510 0.797 1.00 2.18 C ATOM 2781 CE2 PHE B 72 -10.281 -8.859 2.557 1.00 2.17 C ATOM 2782 CZ PHE B 72 -11.378 -9.575 2.121 1.00 2.15 C ATOM 0 H PHE B 72 -11.290 -6.846 -1.899 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.960 -5.247 -0.193 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.995 -7.799 -1.532 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -8.141 -7.058 -0.193 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -11.355 -8.677 -1.125 1.00 1.69 H new ATOM 0 HD2 PHE B 72 -8.703 -7.537 2.008 1.00 1.70 H new ATOM 0 HE1 PHE B 72 -12.616 -10.073 0.454 1.00 2.18 H new ATOM 0 HE2 PHE B 72 -9.982 -8.905 3.594 1.00 2.17 H new ATOM 0 HZ PHE B 72 -11.936 -10.185 2.816 1.00 2.15 H new ATOM 2792 N GLN B 73 -8.266 -5.652 -3.016 1.00 0.38 N ATOM 2793 CA GLN B 73 -7.172 -5.183 -3.851 1.00 0.37 C ATOM 2794 C GLN B 73 -7.368 -3.722 -4.236 1.00 0.36 C ATOM 2795 O GLN B 73 -6.452 -2.921 -4.112 1.00 0.36 O ATOM 2796 CB GLN B 73 -7.036 -6.072 -5.099 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.909 -5.663 -6.031 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.398 -4.897 -7.244 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.642 -3.615 -7.061 1.00 0.62 O flip ATOM 2800 NE2 GLN B 73 -6.604 -5.465 -8.314 1.00 0.41 N flip ATOM 0 H GLN B 73 -8.833 -6.383 -3.447 1.00 0.38 H new ATOM 0 HA GLN B 73 -6.247 -5.251 -3.279 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.875 -7.103 -4.782 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.976 -6.051 -5.651 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -5.195 -5.048 -5.483 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -5.375 -6.554 -6.361 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.400 -6.460 -8.411 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.979 -4.942 -9.105 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.554 -3.375 -4.710 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.864 -1.989 -5.060 1.00 0.39 C ATOM 2811 C GLU B 74 -8.752 -1.089 -3.825 1.00 0.38 C ATOM 2812 O GLU B 74 -8.405 0.090 -3.917 1.00 0.41 O ATOM 2813 CB GLU B 74 -10.266 -1.914 -5.663 1.00 0.44 C ATOM 2814 CG GLU B 74 -10.412 -2.733 -6.936 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.848 -2.859 -7.394 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.752 -2.853 -6.536 1.00 2.18 O ATOM 2817 OE2 GLU B 74 -12.077 -2.960 -8.624 1.00 2.04 O ATOM 0 H GLU B 74 -9.321 -4.030 -4.863 1.00 0.37 H new ATOM 0 HA GLU B 74 -8.145 -1.636 -5.799 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.991 -2.264 -4.928 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -10.507 -0.873 -5.878 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.823 -2.272 -7.728 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -10.000 -3.729 -6.771 1.00 0.59 H new ATOM 2824 N TYR B 75 -9.013 -1.685 -2.672 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.922 -1.017 -1.387 1.00 0.36 C ATOM 2826 C TYR B 75 -7.461 -0.764 -1.030 1.00 0.34 C ATOM 2827 O TYR B 75 -7.089 0.329 -0.600 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.595 -1.903 -0.325 1.00 0.43 C ATOM 2829 CG TYR B 75 -9.130 -1.662 1.100 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -8.015 -2.323 1.611 1.00 1.72 C ATOM 2831 CD2 TYR B 75 -9.805 -0.784 1.933 1.00 1.50 C ATOM 2832 CE1 TYR B 75 -7.587 -2.105 2.904 1.00 2.09 C ATOM 2833 CE2 TYR B 75 -9.382 -0.566 3.230 1.00 1.86 C ATOM 2834 CZ TYR B 75 -8.274 -1.224 3.710 1.00 1.84 C ATOM 2835 OH TYR B 75 -7.845 -0.987 4.999 1.00 2.33 O ATOM 0 H TYR B 75 -9.298 -2.662 -2.604 1.00 0.34 H new ATOM 0 HA TYR B 75 -9.429 -0.053 -1.430 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.672 -1.745 -0.371 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -9.415 -2.948 -0.578 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -7.477 -3.018 0.984 1.00 1.72 H new ATOM 0 HD2 TYR B 75 -10.675 -0.262 1.563 1.00 1.50 H new ATOM 0 HE1 TYR B 75 -6.718 -2.622 3.283 1.00 2.09 H new ATOM 0 HE2 TYR B 75 -9.921 0.120 3.866 1.00 1.86 H new ATOM 0 HH TYR B 75 -7.504 -1.819 5.388 1.00 2.33 H new ATOM 2845 N SER B 76 -6.638 -1.786 -1.218 1.00 0.35 N ATOM 2846 CA SER B 76 -5.230 -1.700 -0.888 1.00 0.36 C ATOM 2847 C SER B 76 -4.506 -0.804 -1.876 1.00 0.36 C ATOM 2848 O SER B 76 -3.649 -0.027 -1.485 1.00 0.41 O ATOM 2849 CB SER B 76 -4.602 -3.097 -0.842 1.00 0.41 C ATOM 2850 OG SER B 76 -5.088 -3.915 -1.889 1.00 1.21 O ATOM 0 H SER B 76 -6.927 -2.687 -1.599 1.00 0.35 H new ATOM 0 HA SER B 76 -5.131 -1.256 0.102 1.00 0.36 H new ATOM 0 HB2 SER B 76 -3.518 -3.013 -0.917 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.820 -3.564 0.118 1.00 0.41 H new ATOM 0 HG SER B 76 -5.389 -3.351 -2.632 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.893 -0.887 -3.148 1.00 0.35 N ATOM 2857 CA VAL B 77 -4.317 -0.052 -4.200 1.00 0.36 C ATOM 2858 C VAL B 77 -4.581 1.415 -3.905 1.00 0.33 C ATOM 2859 O VAL B 77 -3.758 2.288 -4.197 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.878 -0.415 -5.591 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.503 0.634 -6.626 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.366 -1.778 -6.017 1.00 0.43 C ATOM 0 H VAL B 77 -5.611 -1.532 -3.477 1.00 0.35 H new ATOM 0 HA VAL B 77 -3.243 -0.235 -4.215 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.965 -0.446 -5.522 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.912 0.351 -7.596 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.910 1.600 -6.329 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.418 0.704 -6.697 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.767 -2.026 -7.000 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.277 -1.759 -6.063 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.686 -2.529 -5.294 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.733 1.676 -3.317 1.00 0.32 N ATOM 2873 CA PHE B 78 -6.065 3.009 -2.859 1.00 0.29 C ATOM 2874 C PHE B 78 -5.046 3.478 -1.832 1.00 0.27 C ATOM 2875 O PHE B 78 -4.436 4.534 -1.982 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.455 3.023 -2.241 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.823 4.351 -1.658 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.535 5.527 -2.335 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.446 4.424 -0.431 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.865 6.748 -1.793 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.778 5.642 0.112 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.488 6.805 -0.566 1.00 0.37 C ATOM 0 H PHE B 78 -6.457 0.978 -3.145 1.00 0.32 H new ATOM 0 HA PHE B 78 -6.049 3.684 -3.715 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -8.187 2.751 -3.001 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.507 2.263 -1.461 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.047 5.484 -3.297 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.675 3.517 0.108 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.636 7.658 -2.328 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.268 5.687 1.073 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.749 7.761 -0.136 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.867 2.673 -0.794 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.922 2.992 0.275 1.00 0.27 C ATOM 2894 C LEU B 79 -2.516 3.119 -0.285 1.00 0.31 C ATOM 2895 O LEU B 79 -1.721 3.949 0.157 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.959 1.904 1.337 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.358 1.568 1.836 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.302 0.444 2.847 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -6.021 2.798 2.434 1.00 0.30 C ATOM 0 H LEU B 79 -5.364 1.791 -0.666 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.207 3.943 0.724 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.503 1.001 0.932 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.349 2.217 2.184 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.958 1.237 0.988 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.310 0.216 3.194 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.869 -0.442 2.383 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.687 0.747 3.694 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -7.020 2.539 2.785 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.425 3.162 3.271 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.094 3.577 1.675 1.00 0.30 H new ATOM 2911 N SER B 80 -2.239 2.278 -1.260 1.00 0.36 N ATOM 2912 CA SER B 80 -1.002 2.316 -2.006 1.00 0.47 C ATOM 2913 C SER B 80 -0.809 3.696 -2.605 1.00 0.37 C ATOM 2914 O SER B 80 0.196 4.362 -2.360 1.00 0.38 O ATOM 2915 CB SER B 80 -1.075 1.281 -3.121 1.00 0.66 C ATOM 2916 OG SER B 80 -1.367 -0.007 -2.608 1.00 0.84 O ATOM 0 H SER B 80 -2.876 1.540 -1.559 1.00 0.36 H new ATOM 0 HA SER B 80 -0.163 2.096 -1.346 1.00 0.47 H new ATOM 0 HB2 SER B 80 -1.841 1.571 -3.840 1.00 0.66 H new ATOM 0 HB3 SER B 80 -0.127 1.255 -3.659 1.00 0.66 H new ATOM 0 HG SER B 80 -2.316 -0.056 -2.367 1.00 0.84 H new ATOM 2922 N SER B 81 -1.812 4.122 -3.365 1.00 0.33 N ATOM 2923 CA SER B 81 -1.800 5.419 -4.009 1.00 0.30 C ATOM 2924 C SER B 81 -1.632 6.527 -2.980 1.00 0.24 C ATOM 2925 O SER B 81 -0.944 7.505 -3.233 1.00 0.26 O ATOM 2926 CB SER B 81 -3.092 5.616 -4.801 1.00 0.37 C ATOM 2927 OG SER B 81 -3.261 4.574 -5.754 1.00 1.22 O ATOM 0 H SER B 81 -2.653 3.574 -3.548 1.00 0.33 H new ATOM 0 HA SER B 81 -0.954 5.463 -4.695 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.943 5.634 -4.120 1.00 0.37 H new ATOM 0 HB3 SER B 81 -3.070 6.580 -5.309 1.00 0.37 H new ATOM 0 HG SER B 81 -3.517 3.748 -5.293 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.246 6.362 -1.815 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.101 7.327 -0.734 1.00 0.23 C ATOM 2935 C ILE B 82 -0.636 7.520 -0.375 1.00 0.27 C ATOM 2936 O ILE B 82 -0.107 8.628 -0.467 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.846 6.888 0.537 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.346 6.752 0.260 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.574 7.877 1.665 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.162 6.405 1.484 1.00 0.23 C ATOM 0 H ILE B 82 -2.849 5.569 -1.595 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.532 8.260 -1.098 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.480 5.909 0.847 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.715 7.688 -0.158 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.498 5.983 -0.497 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.105 7.560 2.563 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.504 7.911 1.869 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -2.919 8.868 1.371 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.214 6.326 1.210 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.820 5.453 1.891 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.041 7.185 2.235 1.00 0.23 H new ATOM 2952 N ALA B 83 0.008 6.431 0.029 1.00 0.30 N ATOM 2953 CA ALA B 83 1.403 6.474 0.440 1.00 0.36 C ATOM 2954 C ALA B 83 2.288 6.983 -0.693 1.00 0.37 C ATOM 2955 O ALA B 83 3.245 7.719 -0.456 1.00 0.42 O ATOM 2956 CB ALA B 83 1.855 5.100 0.919 1.00 0.40 C ATOM 0 H ALA B 83 -0.417 5.505 0.080 1.00 0.30 H new ATOM 0 HA ALA B 83 1.499 7.173 1.271 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.901 5.147 1.223 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.244 4.791 1.767 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.745 4.378 0.110 1.00 0.40 H new ATOM 2962 N MET B 84 1.949 6.607 -1.923 1.00 0.37 N ATOM 2963 CA MET B 84 2.667 7.090 -3.102 1.00 0.43 C ATOM 2964 C MET B 84 2.545 8.606 -3.227 1.00 0.34 C ATOM 2965 O MET B 84 3.543 9.322 -3.214 1.00 0.37 O ATOM 2966 CB MET B 84 2.117 6.444 -4.379 1.00 0.64 C ATOM 2967 CG MET B 84 2.277 4.937 -4.431 1.00 0.44 C ATOM 2968 SD MET B 84 1.467 4.199 -5.866 1.00 1.00 S ATOM 2969 CE MET B 84 2.318 5.022 -7.210 1.00 1.26 C ATOM 0 H MET B 84 1.181 5.969 -2.131 1.00 0.37 H new ATOM 0 HA MET B 84 3.715 6.817 -2.979 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.059 6.689 -4.470 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.621 6.882 -5.241 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.338 4.689 -4.451 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.864 4.500 -3.522 1.00 0.44 H new ATOM 0 HE1 MET B 84 2.154 4.471 -8.136 1.00 1.26 H new ATOM 0 HE2 MET B 84 1.933 6.036 -7.318 1.00 1.26 H new ATOM 0 HE3 MET B 84 3.386 5.061 -6.995 1.00 1.26 H new ATOM 2979 N MET B 85 1.311 9.084 -3.321 1.00 0.33 N ATOM 2980 CA MET B 85 1.041 10.497 -3.570 1.00 0.35 C ATOM 2981 C MET B 85 1.537 11.362 -2.422 1.00 0.35 C ATOM 2982 O MET B 85 2.122 12.421 -2.648 1.00 0.42 O ATOM 2983 CB MET B 85 -0.457 10.728 -3.783 1.00 0.39 C ATOM 2984 CG MET B 85 -1.052 9.869 -4.886 1.00 1.36 C ATOM 2985 SD MET B 85 -0.321 10.184 -6.505 1.00 2.66 S ATOM 2986 CE MET B 85 -0.779 11.897 -6.765 1.00 3.35 C ATOM 0 H MET B 85 0.473 8.509 -3.228 1.00 0.33 H new ATOM 0 HA MET B 85 1.579 10.782 -4.474 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.984 10.525 -2.851 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.624 11.778 -4.021 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.917 8.818 -4.632 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.126 10.049 -4.938 1.00 1.36 H new ATOM 0 HE1 MET B 85 -0.655 12.151 -7.818 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.820 12.043 -6.477 1.00 3.35 H new ATOM 0 HE3 MET B 85 -0.141 12.540 -6.159 1.00 3.35 H new ATOM 2996 N SER B 86 1.305 10.909 -1.194 1.00 0.33 N ATOM 2997 CA SER B 86 1.790 11.613 -0.014 1.00 0.39 C ATOM 2998 C SER B 86 3.305 11.759 -0.093 1.00 0.43 C ATOM 2999 O SER B 86 3.875 12.776 0.298 1.00 0.57 O ATOM 3000 CB SER B 86 1.392 10.844 1.252 1.00 0.43 C ATOM 3001 OG SER B 86 1.710 11.572 2.427 1.00 1.25 O ATOM 0 H SER B 86 0.783 10.056 -0.991 1.00 0.33 H new ATOM 0 HA SER B 86 1.341 12.606 0.026 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.322 10.636 1.231 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.904 9.882 1.270 1.00 0.43 H new ATOM 0 HG SER B 86 1.442 11.055 3.215 1.00 1.25 H new ATOM 3007 N ASN B 87 3.934 10.739 -0.646 1.00 0.40 N ATOM 3008 CA ASN B 87 5.378 10.683 -0.785 1.00 0.51 C ATOM 3009 C ASN B 87 5.897 11.613 -1.887 1.00 0.44 C ATOM 3010 O ASN B 87 6.728 12.490 -1.627 1.00 0.53 O ATOM 3011 CB ASN B 87 5.780 9.247 -1.088 1.00 0.69 C ATOM 3012 CG ASN B 87 7.147 9.134 -1.712 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.343 8.340 -2.621 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.108 9.905 -1.220 1.00 1.49 N ATOM 0 H ASN B 87 3.453 9.919 -1.015 1.00 0.40 H new ATOM 0 HA ASN B 87 5.824 11.022 0.150 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.760 8.668 -0.165 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.044 8.804 -1.758 1.00 0.69 H new ATOM 0 HD21 ASN B 87 9.053 9.848 -1.601 1.00 1.49 H new ATOM 0 HD22 ASN B 87 7.902 10.555 -0.461 1.00 1.49 H new ATOM 3021 N GLU B 88 5.442 11.416 -3.117 1.00 0.37 N ATOM 3022 CA GLU B 88 5.971 12.194 -4.233 1.00 0.42 C ATOM 3023 C GLU B 88 5.610 13.671 -4.067 1.00 0.51 C ATOM 3024 O GLU B 88 6.308 14.553 -4.564 1.00 0.66 O ATOM 3025 CB GLU B 88 5.478 11.660 -5.584 1.00 0.48 C ATOM 3026 CG GLU B 88 5.085 10.196 -5.577 1.00 0.51 C ATOM 3027 CD GLU B 88 5.590 9.486 -6.808 1.00 0.91 C ATOM 3028 OE1 GLU B 88 6.819 9.328 -6.919 1.00 1.74 O ATOM 3029 OE2 GLU B 88 4.773 9.109 -7.673 1.00 1.49 O ATOM 0 H GLU B 88 4.722 10.738 -3.367 1.00 0.37 H new ATOM 0 HA GLU B 88 7.056 12.094 -4.224 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.620 12.252 -5.903 1.00 0.48 H new ATOM 0 HB3 GLU B 88 6.262 11.809 -6.327 1.00 0.48 H new ATOM 0 HG2 GLU B 88 5.487 9.714 -4.686 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.000 10.109 -5.524 1.00 0.51 H new ATOM 3036 N PHE B 89 4.527 13.931 -3.342 1.00 0.50 N ATOM 3037 CA PHE B 89 4.137 15.298 -3.020 1.00 0.63 C ATOM 3038 C PHE B 89 4.824 15.763 -1.732 1.00 0.66 C ATOM 3039 O PHE B 89 4.824 16.952 -1.415 1.00 0.79 O ATOM 3040 CB PHE B 89 2.614 15.411 -2.892 1.00 0.73 C ATOM 3041 CG PHE B 89 2.120 16.819 -2.727 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.238 17.733 -3.762 1.00 2.16 C ATOM 3043 CD2 PHE B 89 1.537 17.230 -1.539 1.00 1.70 C ATOM 3044 CE1 PHE B 89 1.786 19.030 -3.615 1.00 2.79 C ATOM 3045 CE2 PHE B 89 1.082 18.525 -1.387 1.00 2.37 C ATOM 3046 CZ PHE B 89 1.207 19.427 -2.426 1.00 2.70 C ATOM 0 H PHE B 89 3.905 13.214 -2.967 1.00 0.50 H new ATOM 0 HA PHE B 89 4.459 15.947 -3.834 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.152 14.976 -3.778 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.286 14.819 -2.038 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.689 17.428 -4.695 1.00 2.16 H new ATOM 0 HD2 PHE B 89 1.437 16.530 -0.723 1.00 1.70 H new ATOM 0 HE1 PHE B 89 1.885 19.733 -4.429 1.00 2.79 H new ATOM 0 HE2 PHE B 89 0.629 18.833 -0.456 1.00 2.37 H new ATOM 0 HZ PHE B 89 0.853 20.440 -2.308 1.00 2.70 H new ATOM 3056 N PHE B 90 5.415 14.826 -0.995 1.00 0.60 N ATOM 3057 CA PHE B 90 6.228 15.172 0.167 1.00 0.68 C ATOM 3058 C PHE B 90 7.451 15.955 -0.291 1.00 0.68 C ATOM 3059 O PHE B 90 7.886 16.894 0.373 1.00 0.79 O ATOM 3060 CB PHE B 90 6.654 13.913 0.936 1.00 0.70 C ATOM 3061 CG PHE B 90 7.496 14.186 2.150 1.00 0.85 C ATOM 3062 CD1 PHE B 90 6.912 14.599 3.335 1.00 1.46 C ATOM 3063 CD2 PHE B 90 8.872 14.026 2.105 1.00 1.53 C ATOM 3064 CE1 PHE B 90 7.683 14.850 4.453 1.00 1.59 C ATOM 3065 CE2 PHE B 90 9.648 14.276 3.220 1.00 1.64 C ATOM 3066 CZ PHE B 90 9.053 14.688 4.395 1.00 1.21 C ATOM 0 H PHE B 90 5.347 13.825 -1.181 1.00 0.60 H new ATOM 0 HA PHE B 90 5.634 15.787 0.843 1.00 0.68 H new ATOM 0 HB2 PHE B 90 5.761 13.369 1.243 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.209 13.260 0.262 1.00 0.70 H new ATOM 0 HD1 PHE B 90 5.841 14.726 3.386 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.342 13.702 1.188 1.00 1.53 H new ATOM 0 HE1 PHE B 90 7.215 15.173 5.371 1.00 1.59 H new ATOM 0 HE2 PHE B 90 10.719 14.149 3.172 1.00 1.64 H new ATOM 0 HZ PHE B 90 9.658 14.883 5.268 1.00 1.21 H new ATOM 3076 N GLU B 91 8.006 15.559 -1.436 1.00 0.61 N ATOM 3077 CA GLU B 91 9.060 16.351 -2.067 1.00 0.72 C ATOM 3078 C GLU B 91 8.467 17.628 -2.639 1.00 0.77 C ATOM 3079 O GLU B 91 9.142 18.649 -2.773 1.00 0.95 O ATOM 3080 CB GLU B 91 9.733 15.591 -3.211 1.00 0.82 C ATOM 3081 CG GLU B 91 10.244 14.214 -2.849 1.00 0.92 C ATOM 3082 CD GLU B 91 11.076 13.611 -3.966 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.492 13.148 -4.969 1.00 2.22 O ATOM 3084 OE2 GLU B 91 12.319 13.615 -3.854 1.00 2.25 O ATOM 0 H GLU B 91 7.749 14.709 -1.938 1.00 0.61 H new ATOM 0 HA GLU B 91 9.803 16.571 -1.300 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.022 15.494 -4.031 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.568 16.186 -3.581 1.00 0.82 H new ATOM 0 HG2 GLU B 91 10.844 14.276 -1.941 1.00 0.92 H new ATOM 0 HG3 GLU B 91 9.401 13.559 -2.630 1.00 0.92 H new ATOM 3091 N GLY B 92 7.193 17.547 -2.990 1.00 0.71 N ATOM 3092 CA GLY B 92 6.534 18.622 -3.691 1.00 0.82 C ATOM 3093 C GLY B 92 6.528 18.354 -5.177 1.00 0.81 C ATOM 3094 O GLY B 92 5.585 18.695 -5.893 1.00 0.91 O ATOM 0 H GLY B 92 6.598 16.741 -2.797 1.00 0.71 H new ATOM 0 HA2 GLY B 92 5.511 18.727 -3.330 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.043 19.564 -3.487 1.00 0.82 H new ATOM 3098 N PHE B 93 7.594 17.715 -5.623 1.00 0.76 N ATOM 3099 CA PHE B 93 7.748 17.292 -6.999 1.00 0.78 C ATOM 3100 C PHE B 93 8.600 16.033 -7.017 1.00 0.69 C ATOM 3101 O PHE B 93 9.682 16.019 -6.430 1.00 0.82 O ATOM 3102 CB PHE B 93 8.405 18.398 -7.835 1.00 1.00 C ATOM 3103 CG PHE B 93 8.738 17.985 -9.244 1.00 1.67 C ATOM 3104 CD1 PHE B 93 7.751 17.917 -10.212 1.00 2.41 C ATOM 3105 CD2 PHE B 93 10.040 17.662 -9.595 1.00 2.58 C ATOM 3106 CE1 PHE B 93 8.055 17.535 -11.504 1.00 3.46 C ATOM 3107 CE2 PHE B 93 10.349 17.280 -10.886 1.00 3.59 C ATOM 3108 CZ PHE B 93 9.355 17.217 -11.841 1.00 3.90 C ATOM 0 H PHE B 93 8.387 17.473 -5.029 1.00 0.76 H new ATOM 0 HA PHE B 93 6.770 17.087 -7.435 1.00 0.78 H new ATOM 0 HB2 PHE B 93 7.738 19.259 -7.868 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.319 18.722 -7.337 1.00 1.00 H new ATOM 0 HD1 PHE B 93 6.732 18.165 -9.954 1.00 2.41 H new ATOM 0 HD2 PHE B 93 10.821 17.710 -8.851 1.00 2.58 H new ATOM 0 HE1 PHE B 93 7.276 17.485 -12.250 1.00 3.46 H new ATOM 0 HE2 PHE B 93 11.367 17.031 -11.147 1.00 3.59 H new ATOM 0 HZ PHE B 93 9.594 16.919 -12.851 1.00 3.90 H new ATOM 3118 N PRO B 94 8.112 14.959 -7.656 1.00 0.64 N ATOM 3119 CA PRO B 94 8.821 13.675 -7.717 1.00 0.61 C ATOM 3120 C PRO B 94 10.202 13.797 -8.359 1.00 0.71 C ATOM 3121 O PRO B 94 10.354 13.662 -9.573 1.00 0.90 O ATOM 3122 CB PRO B 94 7.906 12.791 -8.572 1.00 0.65 C ATOM 3123 CG PRO B 94 6.986 13.728 -9.274 1.00 0.84 C ATOM 3124 CD PRO B 94 6.824 14.907 -8.364 1.00 0.83 C ATOM 0 HA PRO B 94 9.008 13.273 -6.721 1.00 0.61 H new ATOM 0 HB2 PRO B 94 8.484 12.202 -9.284 1.00 0.65 H new ATOM 0 HB3 PRO B 94 7.351 12.087 -7.952 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.398 14.032 -10.236 1.00 0.84 H new ATOM 0 HG3 PRO B 94 6.025 13.254 -9.474 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.633 15.824 -8.922 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.990 14.773 -7.675 1.00 0.83 H new ATOM 3132 N ASP B 95 11.209 14.031 -7.532 1.00 0.71 N ATOM 3133 CA ASP B 95 12.571 14.230 -8.011 1.00 0.87 C ATOM 3134 C ASP B 95 13.355 12.933 -7.897 1.00 0.84 C ATOM 3135 O ASP B 95 14.369 12.727 -8.564 1.00 0.96 O ATOM 3136 CB ASP B 95 13.259 15.346 -7.222 1.00 1.12 C ATOM 3137 CG ASP B 95 14.671 15.611 -7.698 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.834 16.292 -8.734 1.00 2.40 O ATOM 3139 OD2 ASP B 95 15.621 15.142 -7.039 1.00 2.16 O ATOM 0 H ASP B 95 11.109 14.088 -6.519 1.00 0.71 H new ATOM 0 HA ASP B 95 12.536 14.527 -9.059 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.673 16.261 -7.308 1.00 1.12 H new ATOM 0 HB3 ASP B 95 13.280 15.079 -6.165 1.00 1.12 H new ATOM 3144 N LYS B 96 12.841 12.053 -7.062 1.00 0.81 N ATOM 3145 CA LYS B 96 13.382 10.713 -6.897 1.00 0.86 C ATOM 3146 C LYS B 96 13.027 9.887 -8.122 1.00 0.83 C ATOM 3147 O LYS B 96 13.613 8.839 -8.391 1.00 0.94 O ATOM 3148 CB LYS B 96 12.783 10.080 -5.640 1.00 0.97 C ATOM 3149 CG LYS B 96 11.266 10.156 -5.622 1.00 0.93 C ATOM 3150 CD LYS B 96 10.695 9.949 -4.234 1.00 0.65 C ATOM 3151 CE LYS B 96 9.218 10.277 -4.215 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.419 9.190 -4.831 1.00 1.85 N ATOM 0 H LYS B 96 12.031 12.246 -6.473 1.00 0.81 H new ATOM 0 HA LYS B 96 14.466 10.752 -6.791 1.00 0.86 H new ATOM 0 HB2 LYS B 96 13.093 9.037 -5.579 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.180 10.583 -4.758 1.00 0.97 H new ATOM 0 HG2 LYS B 96 10.949 11.127 -6.001 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.859 9.402 -6.296 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.848 8.916 -3.921 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.223 10.580 -3.519 1.00 0.65 H new ATOM 0 HE2 LYS B 96 8.891 10.435 -3.187 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.043 11.209 -4.752 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 8.017 9.522 -5.731 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 9.030 8.367 -5.007 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 7.649 8.918 -4.187 1.00 1.85 H new