USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 76:sc= 0.0577 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -164:sc= -0.0829 (180deg=-0.448) USER MOD Set 2.1: A 102 THR OG1 : rot -29:sc= 0.938 USER MOD Set 2.2: A 111 ASN :FLIP amide:sc= 0.49 F(o=-4.2,f=1.4) USER MOD Set 3.1: A 89 ASN :FLIP amide:sc= 1.04 F(o=-0.7,f=2.6) USER MOD Set 3.2: A 105 ASN :FLIP amide:sc= 1.52 F(o=-4.7!,f=2.6) USER MOD Set 4.1: A 73 THR OG1 : rot -82:sc= 1.24 USER MOD Set 4.2: A 75 THR OG1 : rot -35:sc= 0.824 USER MOD Set 5.1: A 64 THR OG1 : rot 87:sc= 0.0257 USER MOD Set 5.2: A 69 CYS SG : rot -150:sc= 0.991 USER MOD Single : A 4 SER OG : rot 120:sc= -0.166 USER MOD Single : A 6 LYS NZ :NH3+ -143:sc= 0.0189 (180deg=-0.437) USER MOD Single : A 7 TYR OH : rot -125:sc= 0.809 USER MOD Single : A 8 GLN :FLIP amide:sc= -3.97! C(o=-4.6!,f=-4!) USER MOD Single : A 10 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.6!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.102 USER MOD Single : A 12 GLN :FLIP amide:sc= -5.95! C(o=-12!,f=-6!) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 19 MET CE :methyl -112:sc= -5.63! (180deg=-8.04!) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00794) USER MOD Single : A 22 MET CE :methyl 147:sc= -0.0692 (180deg=-0.864) USER MOD Single : A 30 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.082) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.108 (180deg=-0.42) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0.739 (180deg=0.341) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0336 (180deg=-0.319) USER MOD Single : A 39 SER OG : rot -34:sc= -0.906 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0838) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc=-0.00384 (180deg=-0.117) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -1.54 (180deg=-2.45!) USER MOD Single : A 60 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-3.3!) USER MOD Single : A 61 ASN :FLIP amide:sc= -3.13 F(o=-5.3!,f=-3.1) USER MOD Single : A 74 MET CE :methyl -160:sc= 0 (180deg=-0.219) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0257 (180deg=-0.186) USER MOD Single : A 80 LYS NZ :NH3+ 132:sc= 0.0696 (180deg=-0.213) USER MOD Single : A 84 LYS NZ :NH3+ -140:sc= -2.1! (180deg=-4.83!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -149:sc= -0.0948 (180deg=-1.37) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0171 (180deg=-0.191) USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -1.72 (180deg=-2.84!) USER MOD Single : A 100 SER OG : rot -160:sc= -0.171 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 161:sc= -0.0821 (180deg=-0.532) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -50:sc= 0.127 USER MOD Single : A 125 LYS NZ :NH3+ -178:sc= -0.972 (180deg=-0.993) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 11.310 8.621 -5.575 1.00 0.64 N ATOM 53 CA SER A 4 10.699 8.231 -6.839 1.00 0.56 C ATOM 54 C SER A 4 11.363 6.980 -7.404 1.00 0.52 C ATOM 55 O SER A 4 12.591 6.872 -7.424 1.00 0.75 O ATOM 56 CB SER A 4 10.794 9.375 -7.852 1.00 0.69 C ATOM 57 OG SER A 4 10.140 10.537 -7.371 1.00 1.53 O ATOM 0 HA SER A 4 9.649 8.008 -6.650 1.00 0.56 H new ATOM 0 HB2 SER A 4 11.841 9.600 -8.054 1.00 0.69 H new ATOM 0 HB3 SER A 4 10.346 9.067 -8.797 1.00 0.69 H new ATOM 0 HG SER A 4 10.785 11.272 -7.307 1.00 1.53 H new ATOM 63 N GLY A 5 10.545 6.037 -7.863 1.00 0.43 N ATOM 64 CA GLY A 5 11.071 4.804 -8.421 1.00 0.45 C ATOM 65 C GLY A 5 10.002 3.744 -8.602 1.00 0.40 C ATOM 66 O GLY A 5 8.891 3.880 -8.090 1.00 0.54 O ATOM 0 H GLY A 5 9.527 6.105 -7.858 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.536 5.014 -9.384 1.00 0.45 H new ATOM 0 HA3 GLY A 5 11.853 4.418 -7.767 1.00 0.45 H new ATOM 70 N LYS A 6 10.341 2.682 -9.328 1.00 0.36 N ATOM 71 CA LYS A 6 9.404 1.594 -9.580 1.00 0.35 C ATOM 72 C LYS A 6 9.829 0.328 -8.844 1.00 0.30 C ATOM 73 O LYS A 6 10.974 -0.111 -8.953 1.00 0.36 O ATOM 74 CB LYS A 6 9.311 1.310 -11.080 1.00 0.47 C ATOM 75 CG LYS A 6 8.181 0.361 -11.451 1.00 1.02 C ATOM 76 CD LYS A 6 8.313 -0.145 -12.881 1.00 1.43 C ATOM 77 CE LYS A 6 8.372 0.996 -13.882 1.00 1.75 C ATOM 78 NZ LYS A 6 7.243 1.953 -13.702 1.00 2.38 N ATOM 0 H LYS A 6 11.260 2.553 -9.752 1.00 0.36 H new ATOM 0 HA LYS A 6 8.426 1.901 -9.210 1.00 0.35 H new ATOM 0 HB2 LYS A 6 9.173 2.251 -11.612 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.256 0.887 -11.421 1.00 0.47 H new ATOM 0 HG2 LYS A 6 8.178 -0.486 -10.765 1.00 1.02 H new ATOM 0 HG3 LYS A 6 7.225 0.871 -11.333 1.00 1.02 H new ATOM 0 HD2 LYS A 6 9.214 -0.753 -12.969 1.00 1.43 H new ATOM 0 HD3 LYS A 6 7.468 -0.792 -13.117 1.00 1.43 H new ATOM 0 HE2 LYS A 6 9.318 1.526 -13.773 1.00 1.75 H new ATOM 0 HE3 LYS A 6 8.348 0.592 -14.894 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 6.925 2.293 -14.632 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 6.455 1.474 -13.220 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 7.560 2.760 -13.128 1.00 2.38 H new ATOM 92 N TYR A 7 8.898 -0.257 -8.097 1.00 0.30 N ATOM 93 CA TYR A 7 9.174 -1.473 -7.343 1.00 0.29 C ATOM 94 C TYR A 7 8.237 -2.596 -7.781 1.00 0.30 C ATOM 95 O TYR A 7 7.057 -2.364 -8.047 1.00 0.42 O ATOM 96 CB TYR A 7 9.026 -1.206 -5.844 1.00 0.34 C ATOM 97 CG TYR A 7 9.498 0.171 -5.432 1.00 0.49 C ATOM 98 CD1 TYR A 7 10.801 0.583 -5.683 1.00 0.70 C ATOM 99 CD2 TYR A 7 8.639 1.063 -4.803 1.00 0.77 C ATOM 100 CE1 TYR A 7 11.235 1.844 -5.318 1.00 0.89 C ATOM 101 CE2 TYR A 7 9.066 2.325 -4.436 1.00 0.93 C ATOM 102 CZ TYR A 7 10.363 2.711 -4.694 1.00 0.91 C ATOM 103 OH TYR A 7 10.789 3.968 -4.330 1.00 1.13 O ATOM 0 H TYR A 7 7.945 0.093 -7.998 1.00 0.30 H new ATOM 0 HA TYR A 7 10.199 -1.785 -7.543 1.00 0.29 H new ATOM 0 HB2 TYR A 7 7.979 -1.323 -5.563 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.591 -1.957 -5.291 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.487 -0.093 -6.172 1.00 0.70 H new ATOM 0 HD2 TYR A 7 7.621 0.766 -4.597 1.00 0.77 H new ATOM 0 HE1 TYR A 7 12.251 2.148 -5.520 1.00 0.89 H new ATOM 0 HE2 TYR A 7 8.385 3.007 -3.948 1.00 0.93 H new ATOM 0 HH TYR A 7 10.628 4.103 -3.373 1.00 1.13 H new ATOM 113 N GLN A 8 8.772 -3.813 -7.858 1.00 0.31 N ATOM 114 CA GLN A 8 7.985 -4.968 -8.277 1.00 0.35 C ATOM 115 C GLN A 8 7.871 -5.994 -7.155 1.00 0.35 C ATOM 116 O GLN A 8 8.877 -6.427 -6.592 1.00 0.38 O ATOM 117 CB GLN A 8 8.624 -5.617 -9.507 1.00 0.44 C ATOM 118 CG GLN A 8 7.806 -6.759 -10.091 1.00 0.41 C ATOM 119 CD GLN A 8 6.441 -6.314 -10.575 1.00 0.92 C ATOM 120 OE1 GLN A 8 6.345 -5.067 -11.015 1.00 1.39 O flip ATOM 121 NE2 GLN A 8 5.482 -7.085 -10.553 1.00 1.23 N flip ATOM 0 H GLN A 8 9.745 -4.023 -7.636 1.00 0.31 H new ATOM 0 HA GLN A 8 6.982 -4.621 -8.526 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.769 -4.856 -10.274 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.612 -5.990 -9.238 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.354 -7.205 -10.921 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.684 -7.536 -9.336 1.00 0.41 H new ATOM 0 HE21 GLN A 8 5.601 -8.037 -10.206 1.00 1.23 H new ATOM 0 HE22 GLN A 8 4.569 -6.772 -10.882 1.00 1.23 H new ATOM 128 N VAL A 9 6.640 -6.386 -6.839 1.00 0.40 N ATOM 129 CA VAL A 9 6.394 -7.368 -5.787 1.00 0.45 C ATOM 130 C VAL A 9 6.872 -8.751 -6.217 1.00 0.52 C ATOM 131 O VAL A 9 6.703 -9.142 -7.372 1.00 0.67 O ATOM 132 CB VAL A 9 4.897 -7.443 -5.426 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.676 -8.374 -4.242 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.346 -6.055 -5.133 1.00 1.24 C ATOM 0 H VAL A 9 5.797 -6.039 -7.296 1.00 0.40 H new ATOM 0 HA VAL A 9 6.953 -7.045 -4.909 1.00 0.45 H new ATOM 0 HB VAL A 9 4.358 -7.849 -6.282 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.613 -8.413 -4.003 1.00 1.18 H new ATOM 0 HG12 VAL A 9 5.028 -9.374 -4.495 1.00 1.18 H new ATOM 0 HG13 VAL A 9 5.228 -8.002 -3.379 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.288 -6.129 -4.880 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.889 -5.617 -4.296 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.465 -5.423 -6.013 1.00 1.24 H new ATOM 138 N GLN A 10 7.472 -9.487 -5.285 1.00 0.50 N ATOM 139 CA GLN A 10 7.979 -10.817 -5.577 1.00 0.61 C ATOM 140 C GLN A 10 7.493 -11.847 -4.557 1.00 0.72 C ATOM 141 O GLN A 10 7.540 -13.050 -4.813 1.00 1.01 O ATOM 142 CB GLN A 10 9.503 -10.791 -5.593 1.00 0.71 C ATOM 143 CG GLN A 10 10.093 -10.080 -6.801 1.00 0.90 C ATOM 144 CD GLN A 10 11.604 -9.988 -6.739 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.157 -9.042 -6.180 1.00 2.20 O ATOM 146 NE2 GLN A 10 12.281 -10.973 -7.316 1.00 2.11 N ATOM 0 H GLN A 10 7.617 -9.182 -4.323 1.00 0.50 H new ATOM 0 HA GLN A 10 7.599 -11.112 -6.555 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.858 -10.302 -4.686 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.875 -11.815 -5.569 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.801 -10.609 -7.708 1.00 0.90 H new ATOM 0 HG3 GLN A 10 9.674 -9.076 -6.869 1.00 0.90 H new ATOM 0 HE21 GLN A 10 11.781 -11.738 -7.769 1.00 2.11 H new ATOM 0 HE22 GLN A 10 13.301 -10.965 -7.307 1.00 2.11 H new ATOM 153 N SER A 11 7.028 -11.375 -3.402 1.00 0.56 N ATOM 154 CA SER A 11 6.549 -12.274 -2.352 1.00 0.70 C ATOM 155 C SER A 11 5.795 -11.515 -1.263 1.00 0.54 C ATOM 156 O SER A 11 5.926 -10.297 -1.132 1.00 0.54 O ATOM 157 CB SER A 11 7.721 -13.035 -1.733 1.00 0.97 C ATOM 158 OG SER A 11 7.281 -13.904 -0.705 1.00 1.72 O ATOM 0 H SER A 11 6.972 -10.383 -3.170 1.00 0.56 H new ATOM 0 HA SER A 11 5.858 -12.980 -2.813 1.00 0.70 H new ATOM 0 HB2 SER A 11 8.233 -13.610 -2.505 1.00 0.97 H new ATOM 0 HB3 SER A 11 8.445 -12.327 -1.330 1.00 0.97 H new ATOM 0 HG SER A 11 8.050 -14.380 -0.327 1.00 1.72 H new ATOM 164 N GLN A 12 5.002 -12.251 -0.483 1.00 0.56 N ATOM 165 CA GLN A 12 4.224 -11.662 0.602 1.00 0.50 C ATOM 166 C GLN A 12 4.108 -12.638 1.777 1.00 0.46 C ATOM 167 O GLN A 12 4.204 -13.851 1.594 1.00 0.59 O ATOM 168 CB GLN A 12 2.833 -11.272 0.091 1.00 0.70 C ATOM 169 CG GLN A 12 2.174 -10.164 0.893 1.00 0.85 C ATOM 170 CD GLN A 12 1.634 -10.645 2.224 1.00 0.99 C ATOM 171 OE1 GLN A 12 1.709 -9.786 3.235 1.00 2.01 O flip ATOM 172 NE2 GLN A 12 1.169 -11.777 2.344 1.00 0.82 N flip ATOM 0 H GLN A 12 4.883 -13.259 -0.585 1.00 0.56 H new ATOM 0 HA GLN A 12 4.737 -10.767 0.955 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.914 -10.956 -0.949 1.00 0.70 H new ATOM 0 HB3 GLN A 12 2.190 -12.152 0.108 1.00 0.70 H new ATOM 0 HG2 GLN A 12 2.897 -9.367 1.066 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.360 -9.734 0.310 1.00 0.85 H new ATOM 0 HE21 GLN A 12 1.132 -12.401 1.538 1.00 0.82 H new ATOM 0 HE22 GLN A 12 0.820 -12.092 3.249 1.00 0.82 H new ATOM 179 N GLU A 13 3.908 -12.104 2.980 1.00 0.47 N ATOM 180 CA GLU A 13 3.780 -12.933 4.180 1.00 0.52 C ATOM 181 C GLU A 13 2.341 -12.934 4.701 1.00 0.45 C ATOM 182 O GLU A 13 1.740 -11.877 4.884 1.00 0.47 O ATOM 183 CB GLU A 13 4.727 -12.428 5.271 1.00 0.71 C ATOM 184 CG GLU A 13 6.187 -12.408 4.849 1.00 1.16 C ATOM 185 CD GLU A 13 6.728 -13.795 4.559 1.00 1.72 C ATOM 186 OE1 GLU A 13 6.611 -14.246 3.401 1.00 2.39 O ATOM 187 OE2 GLU A 13 7.269 -14.427 5.490 1.00 2.07 O ATOM 0 H GLU A 13 3.831 -11.101 3.151 1.00 0.47 H new ATOM 0 HA GLU A 13 4.047 -13.955 3.913 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.428 -11.421 5.562 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.621 -13.060 6.153 1.00 0.71 H new ATOM 0 HG2 GLU A 13 6.296 -11.786 3.961 1.00 1.16 H new ATOM 0 HG3 GLU A 13 6.783 -11.947 5.636 1.00 1.16 H new ATOM 194 N ASN A 14 1.801 -14.132 4.949 1.00 0.47 N ATOM 195 CA ASN A 14 0.430 -14.287 5.443 1.00 0.52 C ATOM 196 C ASN A 14 -0.586 -13.829 4.401 1.00 0.56 C ATOM 197 O ASN A 14 -0.621 -12.655 4.029 1.00 0.92 O ATOM 198 CB ASN A 14 0.224 -13.507 6.748 1.00 0.62 C ATOM 199 CG ASN A 14 0.935 -14.150 7.923 1.00 1.26 C ATOM 200 OD1 ASN A 14 0.244 -15.050 8.612 1.00 1.88 O flip ATOM 201 ND2 ASN A 14 2.093 -13.843 8.207 1.00 1.78 N flip ATOM 0 H ASN A 14 2.297 -15.013 4.814 1.00 0.47 H new ATOM 0 HA ASN A 14 0.273 -15.348 5.640 1.00 0.52 H new ATOM 0 HB2 ASN A 14 0.588 -12.487 6.620 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -0.842 -13.440 6.964 1.00 0.62 H new ATOM 0 HD21 ASN A 14 2.587 -13.146 7.650 1.00 1.78 H new ATOM 0 HD22 ASN A 14 2.558 -14.286 8.999 1.00 1.78 H new ATOM 206 N PHE A 15 -1.417 -14.760 3.937 1.00 0.52 N ATOM 207 CA PHE A 15 -2.424 -14.450 2.930 1.00 0.59 C ATOM 208 C PHE A 15 -3.832 -14.773 3.430 1.00 0.59 C ATOM 209 O PHE A 15 -4.661 -13.883 3.604 1.00 0.66 O ATOM 210 CB PHE A 15 -2.155 -15.245 1.651 1.00 0.73 C ATOM 211 CG PHE A 15 -0.699 -15.367 1.296 1.00 1.40 C ATOM 212 CD1 PHE A 15 0.060 -16.418 1.785 1.00 2.40 C ATOM 213 CD2 PHE A 15 -0.094 -14.437 0.465 1.00 1.85 C ATOM 214 CE1 PHE A 15 1.394 -16.539 1.454 1.00 3.26 C ATOM 215 CE2 PHE A 15 1.241 -14.555 0.131 1.00 2.66 C ATOM 216 CZ PHE A 15 1.987 -15.607 0.626 1.00 3.24 C ATOM 0 H PHE A 15 -1.411 -15.733 4.243 1.00 0.52 H new ATOM 0 HA PHE A 15 -2.363 -13.381 2.724 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -2.575 -16.245 1.763 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -2.681 -14.769 0.823 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -0.398 -17.151 2.433 1.00 2.40 H new ATOM 0 HD2 PHE A 15 -0.672 -13.612 0.075 1.00 1.85 H new ATOM 0 HE1 PHE A 15 1.974 -17.363 1.843 1.00 3.26 H new ATOM 0 HE2 PHE A 15 1.702 -13.825 -0.517 1.00 2.66 H new ATOM 0 HZ PHE A 15 3.031 -15.700 0.366 1.00 3.24 H new ATOM 226 N GLU A 16 -4.083 -16.058 3.665 1.00 0.65 N ATOM 227 CA GLU A 16 -5.391 -16.530 4.121 1.00 0.72 C ATOM 228 C GLU A 16 -5.862 -15.829 5.400 1.00 0.62 C ATOM 229 O GLU A 16 -7.010 -15.412 5.480 1.00 0.68 O ATOM 230 CB GLU A 16 -5.356 -18.044 4.342 1.00 0.86 C ATOM 231 CG GLU A 16 -4.834 -18.822 3.146 1.00 1.03 C ATOM 232 CD GLU A 16 -4.800 -20.319 3.394 1.00 1.53 C ATOM 233 OE1 GLU A 16 -3.837 -20.792 4.031 1.00 1.96 O ATOM 234 OE2 GLU A 16 -5.738 -21.016 2.952 1.00 1.92 O ATOM 0 H GLU A 16 -3.392 -16.799 3.546 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.107 -16.284 3.337 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -4.730 -18.262 5.208 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -6.361 -18.391 4.580 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -5.463 -18.615 2.280 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -3.830 -18.475 2.901 1.00 1.03 H new ATOM 241 N PRO A 17 -5.004 -15.687 6.425 1.00 0.54 N ATOM 242 CA PRO A 17 -5.405 -15.041 7.682 1.00 0.52 C ATOM 243 C PRO A 17 -6.035 -13.661 7.475 1.00 0.45 C ATOM 244 O PRO A 17 -7.033 -13.326 8.114 1.00 0.50 O ATOM 245 CB PRO A 17 -4.089 -14.914 8.450 1.00 0.59 C ATOM 246 CG PRO A 17 -3.230 -16.006 7.913 1.00 0.72 C ATOM 247 CD PRO A 17 -3.603 -16.152 6.465 1.00 0.59 C ATOM 0 HA PRO A 17 -6.171 -15.618 8.200 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -3.632 -13.937 8.293 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -4.245 -15.024 9.523 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -2.174 -15.760 8.021 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -3.398 -16.937 8.455 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -2.961 -15.550 5.822 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -3.512 -17.185 6.129 1.00 0.59 H new ATOM 255 N PHE A 18 -5.462 -12.877 6.566 1.00 0.44 N ATOM 256 CA PHE A 18 -5.954 -11.526 6.283 1.00 0.54 C ATOM 257 C PHE A 18 -7.423 -11.516 5.833 1.00 0.62 C ATOM 258 O PHE A 18 -8.238 -10.782 6.394 1.00 0.68 O ATOM 259 CB PHE A 18 -5.073 -10.859 5.221 1.00 0.65 C ATOM 260 CG PHE A 18 -5.410 -9.413 4.979 1.00 0.90 C ATOM 261 CD1 PHE A 18 -4.822 -8.415 5.739 1.00 1.08 C ATOM 262 CD2 PHE A 18 -6.314 -9.053 3.993 1.00 1.08 C ATOM 263 CE1 PHE A 18 -5.128 -7.085 5.519 1.00 1.36 C ATOM 264 CE2 PHE A 18 -6.625 -7.726 3.769 1.00 1.35 C ATOM 265 CZ PHE A 18 -6.030 -6.740 4.533 1.00 1.46 C ATOM 0 H PHE A 18 -4.653 -13.153 6.009 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.901 -10.962 7.214 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -4.030 -10.934 5.528 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -5.170 -11.408 4.284 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -4.116 -8.679 6.513 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -6.781 -9.819 3.392 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -4.662 -6.317 6.118 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -7.332 -7.459 2.998 1.00 1.35 H new ATOM 0 HZ PHE A 18 -6.270 -5.702 4.359 1.00 1.46 H new ATOM 275 N MET A 19 -7.758 -12.323 4.825 1.00 0.68 N ATOM 276 CA MET A 19 -9.132 -12.376 4.314 1.00 0.83 C ATOM 277 C MET A 19 -10.125 -12.798 5.397 1.00 0.81 C ATOM 278 O MET A 19 -11.254 -12.306 5.435 1.00 0.90 O ATOM 279 CB MET A 19 -9.238 -13.304 3.091 1.00 0.96 C ATOM 280 CG MET A 19 -8.570 -14.657 3.243 1.00 1.91 C ATOM 281 SD MET A 19 -9.559 -15.837 4.190 1.00 3.37 S ATOM 282 CE MET A 19 -11.169 -15.679 3.421 1.00 4.48 C ATOM 0 H MET A 19 -7.104 -12.945 4.349 1.00 0.68 H new ATOM 0 HA MET A 19 -9.394 -11.366 4.000 1.00 0.83 H new ATOM 0 HB2 MET A 19 -10.293 -13.461 2.866 1.00 0.96 H new ATOM 0 HB3 MET A 19 -8.801 -12.796 2.231 1.00 0.96 H new ATOM 0 HG2 MET A 19 -8.372 -15.070 2.254 1.00 1.91 H new ATOM 0 HG3 MET A 19 -7.605 -14.526 3.733 1.00 1.91 H new ATOM 0 HE1 MET A 19 -11.865 -15.223 4.125 1.00 4.48 H new ATOM 0 HE2 MET A 19 -11.088 -15.052 2.533 1.00 4.48 H new ATOM 0 HE3 MET A 19 -11.535 -16.666 3.136 1.00 4.48 H new ATOM 292 N LYS A 20 -9.707 -13.704 6.275 1.00 0.73 N ATOM 293 CA LYS A 20 -10.577 -14.195 7.343 1.00 0.79 C ATOM 294 C LYS A 20 -11.023 -13.076 8.290 1.00 0.72 C ATOM 295 O LYS A 20 -12.202 -12.977 8.633 1.00 0.79 O ATOM 296 CB LYS A 20 -9.848 -15.266 8.153 1.00 0.85 C ATOM 297 CG LYS A 20 -9.299 -16.407 7.316 1.00 1.02 C ATOM 298 CD LYS A 20 -8.645 -17.471 8.184 1.00 1.37 C ATOM 299 CE LYS A 20 -7.924 -18.513 7.345 1.00 1.63 C ATOM 300 NZ LYS A 20 -8.869 -19.304 6.508 1.00 2.27 N ATOM 0 H LYS A 20 -8.773 -14.114 6.270 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.466 -14.610 6.868 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.026 -14.799 8.696 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -10.532 -15.672 8.898 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -10.106 -16.855 6.736 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -8.571 -16.019 6.603 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -7.938 -17.000 8.867 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -9.404 -17.958 8.797 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -7.195 -18.020 6.702 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -7.369 -19.185 7.999 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -8.339 -20.015 5.964 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -9.560 -19.782 7.121 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -9.368 -18.669 5.853 1.00 2.27 H new ATOM 314 N ALA A 21 -10.079 -12.238 8.705 1.00 0.64 N ATOM 315 CA ALA A 21 -10.375 -11.139 9.625 1.00 0.64 C ATOM 316 C ALA A 21 -11.151 -10.010 8.951 1.00 0.65 C ATOM 317 O ALA A 21 -12.357 -9.864 9.145 1.00 0.85 O ATOM 318 CB ALA A 21 -9.092 -10.600 10.235 1.00 0.67 C ATOM 0 H ALA A 21 -9.101 -12.297 8.420 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.010 -11.544 10.413 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.328 -9.783 10.917 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.587 -11.396 10.783 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.438 -10.234 9.443 1.00 0.67 H new ATOM 324 N MET A 22 -10.429 -9.212 8.167 1.00 0.66 N ATOM 325 CA MET A 22 -10.998 -8.068 7.456 1.00 0.72 C ATOM 326 C MET A 22 -12.329 -8.405 6.779 1.00 0.74 C ATOM 327 O MET A 22 -13.147 -7.516 6.528 1.00 0.90 O ATOM 328 CB MET A 22 -9.990 -7.569 6.416 1.00 0.75 C ATOM 329 CG MET A 22 -10.574 -6.607 5.390 1.00 0.88 C ATOM 330 SD MET A 22 -11.294 -5.136 6.144 1.00 1.45 S ATOM 331 CE MET A 22 -9.851 -4.405 6.911 1.00 2.05 C ATOM 0 H MET A 22 -9.430 -9.341 8.006 1.00 0.66 H new ATOM 0 HA MET A 22 -11.203 -7.287 8.188 1.00 0.72 H new ATOM 0 HB2 MET A 22 -9.167 -7.075 6.932 1.00 0.75 H new ATOM 0 HB3 MET A 22 -9.569 -8.428 5.893 1.00 0.75 H new ATOM 0 HG2 MET A 22 -9.791 -6.307 4.693 1.00 0.88 H new ATOM 0 HG3 MET A 22 -11.338 -7.123 4.808 1.00 0.88 H new ATOM 0 HE1 MET A 22 -9.941 -3.319 6.895 1.00 2.05 H new ATOM 0 HE2 MET A 22 -9.775 -4.747 7.943 1.00 2.05 H new ATOM 0 HE3 MET A 22 -8.957 -4.703 6.363 1.00 2.05 H new ATOM 341 N GLY A 23 -12.554 -9.682 6.497 1.00 0.79 N ATOM 342 CA GLY A 23 -13.780 -10.083 5.837 1.00 0.85 C ATOM 343 C GLY A 23 -13.594 -10.158 4.338 1.00 0.84 C ATOM 344 O GLY A 23 -14.554 -10.296 3.581 1.00 0.97 O ATOM 0 H GLY A 23 -11.912 -10.444 6.713 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -14.099 -11.054 6.216 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -14.572 -9.373 6.073 1.00 0.85 H new ATOM 348 N LEU A 24 -12.337 -10.064 3.924 1.00 0.77 N ATOM 349 CA LEU A 24 -11.970 -10.121 2.518 1.00 0.78 C ATOM 350 C LEU A 24 -12.081 -11.563 2.028 1.00 0.71 C ATOM 351 O LEU A 24 -11.907 -12.490 2.810 1.00 0.68 O ATOM 352 CB LEU A 24 -10.528 -9.602 2.366 1.00 0.78 C ATOM 353 CG LEU A 24 -10.049 -9.282 0.946 1.00 0.89 C ATOM 354 CD1 LEU A 24 -10.809 -8.093 0.377 1.00 1.45 C ATOM 355 CD2 LEU A 24 -8.555 -8.997 0.952 1.00 1.26 C ATOM 0 H LEU A 24 -11.544 -9.946 4.555 1.00 0.77 H new ATOM 0 HA LEU A 24 -12.638 -9.500 1.920 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -10.428 -8.699 2.969 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.854 -10.346 2.791 1.00 0.78 H new ATOM 0 HG LEU A 24 -10.243 -10.147 0.312 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -10.453 -7.883 -0.632 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -11.874 -8.323 0.346 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -10.645 -7.220 1.009 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -8.224 -8.771 -0.061 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -8.350 -8.145 1.600 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -8.019 -9.871 1.322 1.00 1.26 H new ATOM 361 N PRO A 25 -12.449 -11.780 0.755 1.00 0.76 N ATOM 362 CA PRO A 25 -12.551 -13.130 0.190 1.00 0.74 C ATOM 363 C PRO A 25 -11.183 -13.708 -0.168 1.00 0.67 C ATOM 364 O PRO A 25 -10.393 -13.067 -0.860 1.00 0.67 O ATOM 365 CB PRO A 25 -13.372 -12.905 -1.074 1.00 0.85 C ATOM 366 CG PRO A 25 -12.997 -11.530 -1.491 1.00 0.94 C ATOM 367 CD PRO A 25 -12.849 -10.750 -0.223 1.00 0.89 C ATOM 0 HA PRO A 25 -12.991 -13.841 0.890 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.132 -13.638 -1.844 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -14.441 -12.987 -0.878 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.067 -11.533 -2.060 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -13.762 -11.093 -2.133 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -12.096 -9.968 -0.316 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -13.781 -10.263 0.062 1.00 0.89 H new ATOM 375 N GLU A 26 -10.909 -14.919 0.312 1.00 0.64 N ATOM 376 CA GLU A 26 -9.639 -15.586 0.033 1.00 0.60 C ATOM 377 C GLU A 26 -9.359 -15.623 -1.467 1.00 0.60 C ATOM 378 O GLU A 26 -8.205 -15.688 -1.887 1.00 0.59 O ATOM 379 CB GLU A 26 -9.649 -17.012 0.591 1.00 0.64 C ATOM 380 CG GLU A 26 -8.332 -17.747 0.408 1.00 1.42 C ATOM 381 CD GLU A 26 -8.347 -19.134 1.017 1.00 1.61 C ATOM 382 OE1 GLU A 26 -7.996 -19.265 2.208 1.00 1.99 O ATOM 383 OE2 GLU A 26 -8.712 -20.092 0.303 1.00 1.74 O ATOM 0 H GLU A 26 -11.549 -15.458 0.896 1.00 0.64 H new ATOM 0 HA GLU A 26 -8.848 -15.016 0.521 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -9.890 -16.976 1.653 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -10.442 -17.578 0.103 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -8.109 -17.824 -0.656 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -7.530 -17.165 0.861 1.00 1.42 H new ATOM 390 N ASP A 27 -10.417 -15.582 -2.269 1.00 0.65 N ATOM 391 CA ASP A 27 -10.277 -15.609 -3.721 1.00 0.70 C ATOM 392 C ASP A 27 -9.456 -14.418 -4.212 1.00 0.70 C ATOM 393 O ASP A 27 -8.545 -14.575 -5.025 1.00 0.71 O ATOM 394 CB ASP A 27 -11.653 -15.609 -4.389 1.00 0.80 C ATOM 395 CG ASP A 27 -12.406 -16.904 -4.160 1.00 1.44 C ATOM 396 OD1 ASP A 27 -13.069 -17.029 -3.109 1.00 2.29 O ATOM 397 OD2 ASP A 27 -12.331 -17.796 -5.033 1.00 1.62 O ATOM 0 H ASP A 27 -11.381 -15.530 -1.939 1.00 0.65 H new ATOM 0 HA ASP A 27 -9.752 -16.524 -3.993 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -12.241 -14.777 -4.003 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -11.534 -15.446 -5.460 1.00 0.80 H new ATOM 402 N LEU A 28 -9.781 -13.230 -3.710 1.00 0.73 N ATOM 403 CA LEU A 28 -9.074 -12.013 -4.098 1.00 0.78 C ATOM 404 C LEU A 28 -7.627 -12.036 -3.613 1.00 0.74 C ATOM 405 O LEU A 28 -6.717 -11.626 -4.334 1.00 0.77 O ATOM 406 CB LEU A 28 -9.791 -10.777 -3.548 1.00 0.90 C ATOM 407 CG LEU A 28 -10.900 -10.212 -4.446 1.00 1.08 C ATOM 408 CD1 LEU A 28 -11.920 -11.287 -4.791 1.00 1.65 C ATOM 409 CD2 LEU A 28 -11.578 -9.031 -3.767 1.00 1.60 C ATOM 0 H LEU A 28 -10.530 -13.084 -3.033 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.069 -11.965 -5.187 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -10.223 -11.028 -2.579 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -9.052 -9.995 -3.375 1.00 0.90 H new ATOM 0 HG LEU A 28 -10.446 -9.867 -5.375 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -12.696 -10.862 -5.428 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -11.425 -12.103 -5.318 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -12.371 -11.668 -3.875 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -12.362 -8.640 -4.415 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -12.016 -9.356 -2.823 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -10.842 -8.250 -3.576 1.00 1.60 H new ATOM 415 N ILE A 29 -7.419 -12.513 -2.389 1.00 0.70 N ATOM 416 CA ILE A 29 -6.078 -12.585 -1.820 1.00 0.72 C ATOM 417 C ILE A 29 -5.195 -13.542 -2.619 1.00 0.66 C ATOM 418 O ILE A 29 -4.053 -13.219 -2.946 1.00 0.70 O ATOM 419 CB ILE A 29 -6.108 -13.023 -0.338 1.00 0.76 C ATOM 420 CG1 ILE A 29 -6.658 -11.888 0.539 1.00 1.01 C ATOM 421 CG2 ILE A 29 -4.715 -13.439 0.125 1.00 0.90 C ATOM 422 CD1 ILE A 29 -6.450 -12.104 2.026 1.00 1.27 C ATOM 0 H ILE A 29 -8.159 -12.854 -1.775 1.00 0.70 H new ATOM 0 HA ILE A 29 -5.657 -11.581 -1.873 1.00 0.72 H new ATOM 0 HB ILE A 29 -6.768 -13.885 -0.241 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -6.180 -10.953 0.247 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -7.724 -11.776 0.344 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -4.755 -13.744 1.171 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.363 -14.272 -0.483 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -4.030 -12.598 0.019 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -6.865 -11.261 2.578 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -6.952 -13.021 2.334 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -5.384 -12.186 2.236 1.00 1.27 H new ATOM 426 N GLN A 30 -5.733 -14.717 -2.931 1.00 0.61 N ATOM 427 CA GLN A 30 -4.994 -15.719 -3.693 1.00 0.62 C ATOM 428 C GLN A 30 -4.672 -15.212 -5.092 1.00 0.62 C ATOM 429 O GLN A 30 -3.593 -15.470 -5.623 1.00 0.64 O ATOM 430 CB GLN A 30 -5.798 -17.019 -3.781 1.00 0.68 C ATOM 431 CG GLN A 30 -5.977 -17.716 -2.442 1.00 0.73 C ATOM 432 CD GLN A 30 -4.663 -18.177 -1.845 1.00 0.99 C ATOM 433 OE1 GLN A 30 -4.213 -19.295 -2.093 1.00 1.44 O ATOM 434 NE2 GLN A 30 -4.041 -17.315 -1.051 1.00 1.08 N ATOM 0 H GLN A 30 -6.677 -14.999 -2.668 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.056 -15.914 -3.173 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -6.780 -16.801 -4.202 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.299 -17.699 -4.471 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -6.470 -17.037 -1.746 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -6.635 -18.575 -2.569 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -4.451 -16.398 -0.873 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -3.153 -17.569 -0.619 1.00 1.08 H new ATOM 441 N LYS A 31 -5.619 -14.495 -5.689 1.00 0.65 N ATOM 442 CA LYS A 31 -5.431 -13.945 -7.026 1.00 0.72 C ATOM 443 C LYS A 31 -4.366 -12.855 -7.016 1.00 0.72 C ATOM 444 O LYS A 31 -3.646 -12.664 -7.997 1.00 0.76 O ATOM 445 CB LYS A 31 -6.748 -13.384 -7.562 1.00 0.86 C ATOM 446 CG LYS A 31 -7.764 -14.455 -7.928 1.00 1.19 C ATOM 447 CD LYS A 31 -9.140 -13.858 -8.168 1.00 1.49 C ATOM 448 CE LYS A 31 -10.114 -14.901 -8.692 1.00 2.17 C ATOM 449 NZ LYS A 31 -9.670 -15.468 -9.995 1.00 2.84 N ATOM 0 H LYS A 31 -6.523 -14.282 -5.268 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.098 -14.750 -7.681 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.183 -12.724 -6.812 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.542 -12.775 -8.442 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -7.433 -14.981 -8.824 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -7.821 -15.193 -7.128 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -9.522 -13.436 -7.239 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -9.063 -13.038 -8.883 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -10.214 -15.704 -7.962 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -11.100 -14.451 -8.809 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -10.478 -15.916 -10.472 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -9.292 -14.707 -10.594 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -8.929 -16.178 -9.830 1.00 2.84 H new ATOM 463 N GLY A 32 -4.273 -12.143 -5.896 1.00 0.73 N ATOM 464 CA GLY A 32 -3.297 -11.076 -5.771 1.00 0.81 C ATOM 465 C GLY A 32 -1.880 -11.594 -5.616 1.00 0.76 C ATOM 466 O GLY A 32 -0.972 -11.148 -6.316 1.00 0.83 O ATOM 0 H GLY A 32 -4.857 -12.287 -5.072 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -3.351 -10.435 -6.651 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -3.550 -10.457 -4.910 1.00 0.81 H new ATOM 470 N LYS A 33 -1.691 -12.534 -4.695 1.00 0.72 N ATOM 471 CA LYS A 33 -0.374 -13.109 -4.449 1.00 0.76 C ATOM 472 C LYS A 33 0.173 -13.785 -5.704 1.00 0.70 C ATOM 473 O LYS A 33 1.384 -13.853 -5.906 1.00 0.77 O ATOM 474 CB LYS A 33 -0.439 -14.118 -3.301 1.00 0.83 C ATOM 475 CG LYS A 33 -1.331 -15.316 -3.592 1.00 0.79 C ATOM 476 CD LYS A 33 -1.289 -16.334 -2.463 1.00 0.92 C ATOM 477 CE LYS A 33 0.085 -16.973 -2.333 1.00 1.16 C ATOM 478 NZ LYS A 33 0.109 -18.027 -1.281 1.00 1.82 N ATOM 0 H LYS A 33 -2.433 -12.913 -4.107 1.00 0.72 H new ATOM 0 HA LYS A 33 0.300 -12.297 -4.174 1.00 0.76 H new ATOM 0 HB2 LYS A 33 0.569 -14.471 -3.081 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -0.803 -13.614 -2.406 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.357 -14.979 -3.740 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.014 -15.789 -4.521 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -1.554 -15.848 -1.524 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.035 -17.108 -2.643 1.00 0.92 H new ATOM 0 HE2 LYS A 33 0.375 -17.408 -3.289 1.00 1.16 H new ATOM 0 HE3 LYS A 33 0.821 -16.205 -2.095 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 0.811 -18.752 -1.532 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 0.364 -17.600 -0.368 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -0.831 -18.466 -1.208 1.00 1.82 H new ATOM 492 N ASP A 34 -0.731 -14.282 -6.542 1.00 0.64 N ATOM 493 CA ASP A 34 -0.337 -14.952 -7.777 1.00 0.65 C ATOM 494 C ASP A 34 0.263 -13.960 -8.768 1.00 0.57 C ATOM 495 O ASP A 34 1.322 -14.209 -9.345 1.00 0.60 O ATOM 496 CB ASP A 34 -1.544 -15.655 -8.404 1.00 0.74 C ATOM 497 CG ASP A 34 -1.190 -16.381 -9.688 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.788 -17.562 -9.611 1.00 1.17 O ATOM 499 OD2 ASP A 34 -1.314 -15.770 -10.770 1.00 1.89 O ATOM 0 H ASP A 34 -1.738 -14.234 -6.390 1.00 0.64 H new ATOM 0 HA ASP A 34 0.423 -15.695 -7.534 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.957 -16.367 -7.690 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -2.323 -14.920 -8.609 1.00 0.74 H new ATOM 504 N ILE A 35 -0.421 -12.835 -8.960 1.00 0.52 N ATOM 505 CA ILE A 35 0.043 -11.808 -9.883 1.00 0.48 C ATOM 506 C ILE A 35 0.952 -10.804 -9.180 1.00 0.43 C ATOM 507 O ILE A 35 0.540 -10.139 -8.229 1.00 0.46 O ATOM 508 CB ILE A 35 -1.142 -11.054 -10.523 1.00 0.52 C ATOM 509 CG1 ILE A 35 -2.149 -12.043 -11.118 1.00 0.61 C ATOM 510 CG2 ILE A 35 -0.642 -10.087 -11.588 1.00 0.55 C ATOM 511 CD1 ILE A 35 -1.582 -12.913 -12.221 1.00 1.28 C ATOM 0 H ILE A 35 -1.298 -12.613 -8.488 1.00 0.52 H new ATOM 0 HA ILE A 35 0.607 -12.316 -10.665 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.647 -10.479 -9.747 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -2.526 -12.684 -10.322 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -3.001 -11.487 -11.510 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -1.489 -9.563 -12.030 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.035 -9.364 -11.134 1.00 0.55 H new ATOM 0 HG23 ILE A 35 -0.114 -10.641 -12.364 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -2.357 -13.585 -12.589 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -1.231 -12.282 -13.038 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -0.749 -13.498 -11.831 1.00 1.28 H new ATOM 515 N LYS A 36 2.191 -10.695 -9.654 1.00 0.40 N ATOM 516 CA LYS A 36 3.156 -9.768 -9.071 1.00 0.38 C ATOM 517 C LYS A 36 2.631 -8.339 -9.149 1.00 0.38 C ATOM 518 O LYS A 36 2.347 -7.830 -10.234 1.00 0.51 O ATOM 519 CB LYS A 36 4.500 -9.878 -9.793 1.00 0.41 C ATOM 520 CG LYS A 36 5.037 -11.298 -9.869 1.00 1.03 C ATOM 521 CD LYS A 36 5.373 -11.847 -8.491 1.00 1.53 C ATOM 522 CE LYS A 36 5.882 -13.278 -8.573 1.00 2.02 C ATOM 523 NZ LYS A 36 4.875 -14.192 -9.182 1.00 2.58 N ATOM 0 H LYS A 36 2.550 -11.237 -10.440 1.00 0.40 H new ATOM 0 HA LYS A 36 3.300 -10.030 -8.023 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.393 -9.485 -10.804 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.230 -9.250 -9.282 1.00 0.41 H new ATOM 0 HG2 LYS A 36 4.298 -11.941 -10.347 1.00 1.03 H new ATOM 0 HG3 LYS A 36 5.929 -11.317 -10.496 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.128 -11.217 -8.021 1.00 1.53 H new ATOM 0 HD3 LYS A 36 4.487 -11.810 -7.857 1.00 1.53 H new ATOM 0 HE2 LYS A 36 6.799 -13.304 -9.162 1.00 2.02 H new ATOM 0 HE3 LYS A 36 6.135 -13.631 -7.573 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 5.161 -15.179 -9.022 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 3.946 -14.026 -8.745 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 4.814 -14.010 -10.204 1.00 2.58 H new ATOM 537 N GLY A 37 2.506 -7.698 -7.993 1.00 0.45 N ATOM 538 CA GLY A 37 2.003 -6.339 -7.947 1.00 0.49 C ATOM 539 C GLY A 37 3.008 -5.323 -8.444 1.00 0.40 C ATOM 540 O GLY A 37 4.212 -5.586 -8.471 1.00 0.39 O ATOM 0 H GLY A 37 2.745 -8.097 -7.085 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.097 -6.271 -8.549 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.723 -6.095 -6.922 1.00 0.49 H new ATOM 544 N VAL A 38 2.509 -4.158 -8.838 1.00 0.42 N ATOM 545 CA VAL A 38 3.359 -3.086 -9.333 1.00 0.40 C ATOM 546 C VAL A 38 3.160 -1.822 -8.505 1.00 0.40 C ATOM 547 O VAL A 38 2.033 -1.461 -8.172 1.00 0.48 O ATOM 548 CB VAL A 38 3.063 -2.776 -10.812 1.00 0.51 C ATOM 549 CG1 VAL A 38 4.092 -1.805 -11.374 1.00 0.67 C ATOM 550 CG2 VAL A 38 3.025 -4.059 -11.627 1.00 0.80 C ATOM 0 H VAL A 38 1.514 -3.932 -8.823 1.00 0.42 H new ATOM 0 HA VAL A 38 4.393 -3.421 -9.245 1.00 0.40 H new ATOM 0 HB VAL A 38 2.083 -2.303 -10.876 1.00 0.51 H new ATOM 0 HG11 VAL A 38 3.865 -1.599 -12.420 1.00 0.67 H new ATOM 0 HG12 VAL A 38 4.063 -0.875 -10.806 1.00 0.67 H new ATOM 0 HG13 VAL A 38 5.086 -2.245 -11.299 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.815 -3.822 -12.670 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.989 -4.563 -11.557 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.244 -4.713 -11.239 1.00 0.80 H new ATOM 554 N SER A 39 4.259 -1.157 -8.164 1.00 0.37 N ATOM 555 CA SER A 39 4.191 0.061 -7.367 1.00 0.40 C ATOM 556 C SER A 39 5.101 1.147 -7.930 1.00 0.39 C ATOM 557 O SER A 39 6.272 0.905 -8.217 1.00 0.44 O ATOM 558 CB SER A 39 4.566 -0.236 -5.914 1.00 0.47 C ATOM 559 OG SER A 39 5.873 -0.775 -5.823 1.00 1.40 O ATOM 0 H SER A 39 5.203 -1.440 -8.426 1.00 0.37 H new ATOM 0 HA SER A 39 3.165 0.428 -7.406 1.00 0.40 H new ATOM 0 HB2 SER A 39 4.505 0.679 -5.325 1.00 0.47 H new ATOM 0 HB3 SER A 39 3.850 -0.938 -5.487 1.00 0.47 H new ATOM 0 HG SER A 39 6.054 -1.329 -6.611 1.00 1.40 H new ATOM 565 N GLU A 40 4.549 2.345 -8.088 1.00 0.38 N ATOM 566 CA GLU A 40 5.304 3.479 -8.606 1.00 0.39 C ATOM 567 C GLU A 40 5.035 4.725 -7.768 1.00 0.39 C ATOM 568 O GLU A 40 3.882 5.107 -7.568 1.00 0.45 O ATOM 569 CB GLU A 40 4.935 3.744 -10.066 1.00 0.43 C ATOM 570 CG GLU A 40 5.724 4.873 -10.700 1.00 1.21 C ATOM 571 CD GLU A 40 5.474 4.996 -12.190 1.00 1.54 C ATOM 572 OE1 GLU A 40 4.458 5.615 -12.571 1.00 2.16 O ATOM 573 OE2 GLU A 40 6.293 4.476 -12.975 1.00 1.57 O ATOM 0 H GLU A 40 3.577 2.556 -7.863 1.00 0.38 H new ATOM 0 HA GLU A 40 6.366 3.238 -8.549 1.00 0.39 H new ATOM 0 HB2 GLU A 40 5.094 2.833 -10.643 1.00 0.43 H new ATOM 0 HB3 GLU A 40 3.872 3.977 -10.126 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.462 5.812 -10.213 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.788 4.710 -10.526 1.00 1.21 H new ATOM 580 N ILE A 41 6.099 5.355 -7.279 1.00 0.39 N ATOM 581 CA ILE A 41 5.957 6.552 -6.458 1.00 0.41 C ATOM 582 C ILE A 41 6.507 7.788 -7.159 1.00 0.40 C ATOM 583 O ILE A 41 7.662 7.814 -7.585 1.00 0.43 O ATOM 584 CB ILE A 41 6.670 6.399 -5.099 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.181 5.140 -4.376 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.436 7.634 -4.240 1.00 0.55 C ATOM 587 CD1 ILE A 41 6.893 4.878 -3.065 1.00 1.16 C ATOM 0 H ILE A 41 7.062 5.059 -7.436 1.00 0.39 H new ATOM 0 HA ILE A 41 4.887 6.678 -6.293 1.00 0.41 H new ATOM 0 HB ILE A 41 7.741 6.298 -5.276 1.00 0.48 H new ATOM 0 HG12 ILE A 41 5.112 5.232 -4.187 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.316 4.279 -5.031 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.944 7.514 -3.283 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.829 8.513 -4.752 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.367 7.761 -4.069 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.495 3.971 -2.610 1.00 1.16 H new ATOM 0 HD12 ILE A 41 7.960 4.753 -3.249 1.00 1.16 H new ATOM 0 HD13 ILE A 41 6.737 5.721 -2.392 1.00 1.16 H new ATOM 591 N VAL A 42 5.664 8.809 -7.274 1.00 0.39 N ATOM 592 CA VAL A 42 6.059 10.067 -7.893 1.00 0.41 C ATOM 593 C VAL A 42 6.231 11.130 -6.816 1.00 0.41 C ATOM 594 O VAL A 42 5.267 11.516 -6.154 1.00 0.42 O ATOM 595 CB VAL A 42 5.012 10.546 -8.919 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.479 11.822 -9.606 1.00 0.52 C ATOM 597 CG2 VAL A 42 4.727 9.454 -9.940 1.00 0.50 C ATOM 0 H VAL A 42 4.699 8.788 -6.945 1.00 0.39 H new ATOM 0 HA VAL A 42 7.000 9.904 -8.418 1.00 0.41 H new ATOM 0 HB VAL A 42 4.085 10.767 -8.389 1.00 0.45 H new ATOM 0 HG11 VAL A 42 4.727 12.144 -10.326 1.00 0.52 H new ATOM 0 HG12 VAL A 42 5.626 12.604 -8.861 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.419 11.633 -10.124 1.00 0.52 H new ATOM 0 HG21 VAL A 42 3.986 9.810 -10.656 1.00 0.50 H new ATOM 0 HG22 VAL A 42 5.647 9.199 -10.466 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.344 8.570 -9.430 1.00 0.50 H new ATOM 601 N HIS A 43 7.459 11.600 -6.642 1.00 0.45 N ATOM 602 CA HIS A 43 7.752 12.603 -5.625 1.00 0.48 C ATOM 603 C HIS A 43 7.881 13.998 -6.225 1.00 0.51 C ATOM 604 O HIS A 43 8.770 14.262 -7.036 1.00 0.58 O ATOM 605 CB HIS A 43 9.030 12.229 -4.870 1.00 0.57 C ATOM 606 CG HIS A 43 9.538 13.315 -3.973 1.00 0.72 C ATOM 607 ND1 HIS A 43 10.621 14.108 -4.290 1.00 1.30 N ATOM 608 CD2 HIS A 43 9.101 13.743 -2.764 1.00 0.78 C ATOM 609 CE1 HIS A 43 10.829 14.976 -3.314 1.00 1.31 C ATOM 610 NE2 HIS A 43 9.922 14.774 -2.378 1.00 0.87 N ATOM 0 H HIS A 43 8.267 11.304 -7.190 1.00 0.45 H new ATOM 0 HA HIS A 43 6.914 12.623 -4.928 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.841 11.336 -4.274 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.806 11.973 -5.591 1.00 0.57 H new ATOM 0 HD2 HIS A 43 8.264 13.347 -2.208 1.00 0.78 H new ATOM 0 HE1 HIS A 43 11.609 15.723 -3.288 1.00 1.31 H new ATOM 0 HE2 HIS A 43 9.843 15.299 -1.507 1.00 0.87 H new ATOM 619 N GLU A 44 6.980 14.889 -5.817 1.00 0.51 N ATOM 620 CA GLU A 44 6.983 16.266 -6.291 1.00 0.58 C ATOM 621 C GLU A 44 6.716 17.220 -5.130 1.00 0.61 C ATOM 622 O GLU A 44 5.573 17.384 -4.704 1.00 0.64 O ATOM 623 CB GLU A 44 5.925 16.448 -7.384 1.00 0.63 C ATOM 624 CG GLU A 44 6.063 17.737 -8.177 1.00 1.32 C ATOM 625 CD GLU A 44 5.779 18.975 -7.347 1.00 1.93 C ATOM 626 OE1 GLU A 44 4.591 19.324 -7.187 1.00 2.45 O ATOM 627 OE2 GLU A 44 6.747 19.596 -6.859 1.00 2.53 O ATOM 0 H GLU A 44 6.234 14.677 -5.154 1.00 0.51 H new ATOM 0 HA GLU A 44 7.962 16.494 -6.712 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.980 15.604 -8.072 1.00 0.63 H new ATOM 0 HB3 GLU A 44 4.937 16.421 -6.925 1.00 0.63 H new ATOM 0 HG2 GLU A 44 7.073 17.802 -8.583 1.00 1.32 H new ATOM 0 HG3 GLU A 44 5.380 17.710 -9.026 1.00 1.32 H new ATOM 634 N GLY A 45 7.775 17.847 -4.624 1.00 0.65 N ATOM 635 CA GLY A 45 7.630 18.768 -3.510 1.00 0.70 C ATOM 636 C GLY A 45 7.015 18.100 -2.294 1.00 0.81 C ATOM 637 O GLY A 45 7.694 17.374 -1.568 1.00 1.77 O ATOM 0 H GLY A 45 8.730 17.734 -4.965 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.607 19.173 -3.245 1.00 0.70 H new ATOM 0 HA3 GLY A 45 7.008 19.610 -3.814 1.00 0.70 H new ATOM 641 N LYS A 46 5.728 18.348 -2.072 1.00 0.68 N ATOM 642 CA LYS A 46 5.018 17.755 -0.944 1.00 0.64 C ATOM 643 C LYS A 46 3.883 16.865 -1.438 1.00 0.57 C ATOM 644 O LYS A 46 3.262 16.139 -0.659 1.00 0.60 O ATOM 645 CB LYS A 46 4.474 18.843 -0.014 1.00 0.69 C ATOM 646 CG LYS A 46 3.576 19.855 -0.706 1.00 1.50 C ATOM 647 CD LYS A 46 3.080 20.909 0.270 1.00 1.65 C ATOM 648 CE LYS A 46 2.198 21.937 -0.418 1.00 2.57 C ATOM 649 NZ LYS A 46 1.690 22.959 0.539 1.00 3.15 N ATOM 0 H LYS A 46 5.156 18.955 -2.658 1.00 0.68 H new ATOM 0 HA LYS A 46 5.722 17.142 -0.381 1.00 0.64 H new ATOM 0 HB2 LYS A 46 3.916 18.370 0.794 1.00 0.69 H new ATOM 0 HB3 LYS A 46 5.312 19.369 0.443 1.00 0.69 H new ATOM 0 HG2 LYS A 46 4.123 20.336 -1.517 1.00 1.50 H new ATOM 0 HG3 LYS A 46 2.725 19.343 -1.155 1.00 1.50 H new ATOM 0 HD2 LYS A 46 2.521 20.428 1.073 1.00 1.65 H new ATOM 0 HD3 LYS A 46 3.932 21.409 0.730 1.00 1.65 H new ATOM 0 HE2 LYS A 46 2.763 22.429 -1.209 1.00 2.57 H new ATOM 0 HE3 LYS A 46 1.356 21.434 -0.893 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 1.092 23.643 0.032 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 1.130 22.492 1.280 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 2.493 23.457 0.974 1.00 3.15 H new ATOM 663 N LYS A 47 3.618 16.928 -2.740 1.00 0.55 N ATOM 664 CA LYS A 47 2.564 16.128 -3.354 1.00 0.52 C ATOM 665 C LYS A 47 3.137 14.842 -3.946 1.00 0.47 C ATOM 666 O LYS A 47 3.874 14.877 -4.930 1.00 0.53 O ATOM 667 CB LYS A 47 1.859 16.930 -4.448 1.00 0.61 C ATOM 668 CG LYS A 47 1.223 18.216 -3.947 1.00 1.25 C ATOM 669 CD LYS A 47 0.539 18.974 -5.068 1.00 1.65 C ATOM 670 CE LYS A 47 -0.292 20.130 -4.535 1.00 2.25 C ATOM 671 NZ LYS A 47 0.528 21.084 -3.739 1.00 2.71 N ATOM 0 H LYS A 47 4.122 17.528 -3.393 1.00 0.55 H new ATOM 0 HA LYS A 47 1.842 15.866 -2.580 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.578 17.171 -5.230 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.089 16.308 -4.904 1.00 0.61 H new ATOM 0 HG2 LYS A 47 0.497 17.984 -3.168 1.00 1.25 H new ATOM 0 HG3 LYS A 47 1.987 18.847 -3.493 1.00 1.25 H new ATOM 0 HD2 LYS A 47 1.289 19.354 -5.762 1.00 1.65 H new ATOM 0 HD3 LYS A 47 -0.101 18.294 -5.631 1.00 1.65 H new ATOM 0 HE2 LYS A 47 -0.756 20.658 -5.368 1.00 2.25 H new ATOM 0 HE3 LYS A 47 -1.100 19.741 -3.915 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 -0.031 21.938 -3.538 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 0.811 20.636 -2.844 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 1.378 21.346 -4.279 1.00 2.71 H new ATOM 685 N VAL A 48 2.796 13.712 -3.336 1.00 0.44 N ATOM 686 CA VAL A 48 3.278 12.417 -3.802 1.00 0.44 C ATOM 687 C VAL A 48 2.128 11.550 -4.299 1.00 0.43 C ATOM 688 O VAL A 48 1.092 11.436 -3.641 1.00 0.52 O ATOM 689 CB VAL A 48 4.036 11.668 -2.689 1.00 0.50 C ATOM 690 CG1 VAL A 48 4.485 10.297 -3.172 1.00 1.36 C ATOM 691 CG2 VAL A 48 5.226 12.487 -2.209 1.00 1.31 C ATOM 0 H VAL A 48 2.188 13.667 -2.518 1.00 0.44 H new ATOM 0 HA VAL A 48 3.963 12.610 -4.628 1.00 0.44 H new ATOM 0 HB VAL A 48 3.357 11.525 -1.848 1.00 0.50 H new ATOM 0 HG11 VAL A 48 5.018 9.785 -2.371 1.00 1.36 H new ATOM 0 HG12 VAL A 48 3.613 9.710 -3.461 1.00 1.36 H new ATOM 0 HG13 VAL A 48 5.146 10.412 -4.031 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.749 11.942 -1.423 1.00 1.31 H new ATOM 0 HG22 VAL A 48 5.906 12.664 -3.042 1.00 1.31 H new ATOM 0 HG23 VAL A 48 4.876 13.442 -1.817 1.00 1.31 H new ATOM 695 N LYS A 49 2.316 10.937 -5.464 1.00 0.43 N ATOM 696 CA LYS A 49 1.296 10.080 -6.055 1.00 0.44 C ATOM 697 C LYS A 49 1.747 8.622 -6.064 1.00 0.42 C ATOM 698 O LYS A 49 2.874 8.316 -6.452 1.00 0.44 O ATOM 699 CB LYS A 49 0.982 10.536 -7.481 1.00 0.51 C ATOM 700 CG LYS A 49 0.385 11.931 -7.553 1.00 1.22 C ATOM 701 CD LYS A 49 0.062 12.324 -8.986 1.00 1.35 C ATOM 702 CE LYS A 49 -0.628 13.679 -9.050 1.00 1.95 C ATOM 703 NZ LYS A 49 0.235 14.768 -8.518 1.00 2.54 N ATOM 0 H LYS A 49 3.168 11.019 -6.018 1.00 0.43 H new ATOM 0 HA LYS A 49 0.395 10.159 -5.447 1.00 0.44 H new ATOM 0 HB2 LYS A 49 1.897 10.510 -8.072 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.289 9.829 -7.936 1.00 0.51 H new ATOM 0 HG2 LYS A 49 -0.522 11.972 -6.950 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.084 12.650 -7.126 1.00 1.22 H new ATOM 0 HD2 LYS A 49 0.981 12.354 -9.572 1.00 1.35 H new ATOM 0 HD3 LYS A 49 -0.579 11.566 -9.437 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -0.897 13.901 -10.083 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -1.556 13.641 -8.480 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -0.205 15.689 -8.717 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 0.346 14.653 -7.490 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 1.169 14.725 -8.974 1.00 2.54 H new ATOM 717 N LEU A 50 0.861 7.729 -5.637 1.00 0.40 N ATOM 718 CA LEU A 50 1.172 6.303 -5.594 1.00 0.40 C ATOM 719 C LEU A 50 0.275 5.530 -6.557 1.00 0.36 C ATOM 720 O LEU A 50 -0.949 5.644 -6.503 1.00 0.38 O ATOM 721 CB LEU A 50 1.002 5.764 -4.170 1.00 0.48 C ATOM 722 CG LEU A 50 2.015 4.698 -3.746 1.00 0.74 C ATOM 723 CD1 LEU A 50 1.814 4.324 -2.286 1.00 1.34 C ATOM 724 CD2 LEU A 50 1.899 3.467 -4.632 1.00 1.69 C ATOM 0 H LEU A 50 -0.078 7.966 -5.316 1.00 0.40 H new ATOM 0 HA LEU A 50 2.209 6.168 -5.900 1.00 0.40 H new ATOM 0 HB2 LEU A 50 1.067 6.600 -3.473 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.000 5.347 -4.075 1.00 0.48 H new ATOM 0 HG LEU A 50 3.017 5.111 -3.862 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.543 3.565 -2.001 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.948 5.208 -1.662 1.00 1.34 H new ATOM 0 HD13 LEU A 50 0.807 3.931 -2.146 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.627 2.721 -4.315 1.00 1.69 H new ATOM 0 HD22 LEU A 50 0.894 3.052 -4.549 1.00 1.69 H new ATOM 0 HD23 LEU A 50 2.092 3.745 -5.668 1.00 1.69 H new ATOM 730 N THR A 51 0.890 4.743 -7.435 1.00 0.36 N ATOM 731 CA THR A 51 0.144 3.957 -8.409 1.00 0.37 C ATOM 732 C THR A 51 0.389 2.460 -8.228 1.00 0.39 C ATOM 733 O THR A 51 1.533 2.007 -8.192 1.00 0.45 O ATOM 734 CB THR A 51 0.510 4.355 -9.852 1.00 0.47 C ATOM 735 OG1 THR A 51 0.337 5.766 -10.028 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.354 3.608 -10.858 1.00 0.63 C ATOM 0 H THR A 51 1.903 4.634 -7.491 1.00 0.36 H new ATOM 0 HA THR A 51 -0.911 4.168 -8.236 1.00 0.37 H new ATOM 0 HB THR A 51 1.553 4.089 -10.024 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.573 6.012 -10.947 1.00 0.61 H new ATOM 0 HG21 THR A 51 -0.076 3.907 -11.869 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.202 2.535 -10.742 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.403 3.847 -10.685 1.00 0.63 H new ATOM 741 N ILE A 52 -0.697 1.701 -8.115 1.00 0.41 N ATOM 742 CA ILE A 52 -0.617 0.256 -7.948 1.00 0.47 C ATOM 743 C ILE A 52 -1.460 -0.451 -9.003 1.00 0.56 C ATOM 744 O ILE A 52 -2.610 -0.079 -9.240 1.00 0.63 O ATOM 745 CB ILE A 52 -1.094 -0.179 -6.546 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.309 0.558 -5.457 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.957 -1.685 -6.381 1.00 1.10 C ATOM 748 CD1 ILE A 52 1.177 0.266 -5.468 1.00 1.76 C ATOM 0 H ILE A 52 -1.649 2.067 -8.136 1.00 0.41 H new ATOM 0 HA ILE A 52 0.430 -0.025 -8.064 1.00 0.47 H new ATOM 0 HB ILE A 52 -2.147 0.083 -6.443 1.00 0.55 H new ATOM 0 HG12 ILE A 52 -0.459 1.631 -5.577 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.716 0.286 -4.483 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -1.298 -1.975 -5.387 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.563 -2.190 -7.134 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.088 -1.971 -6.504 1.00 1.10 H new ATOM 0 HD11 ILE A 52 1.663 0.824 -4.668 1.00 1.76 H new ATOM 0 HD12 ILE A 52 1.339 -0.801 -5.316 1.00 1.76 H new ATOM 0 HD13 ILE A 52 1.599 0.564 -6.428 1.00 1.76 H new ATOM 752 N THR A 53 -0.891 -1.470 -9.638 1.00 0.63 N ATOM 753 CA THR A 53 -1.605 -2.209 -10.672 1.00 0.76 C ATOM 754 C THR A 53 -1.790 -3.673 -10.288 1.00 0.81 C ATOM 755 O THR A 53 -0.841 -4.347 -9.889 1.00 0.80 O ATOM 756 CB THR A 53 -0.866 -2.136 -12.022 1.00 0.85 C ATOM 757 OG1 THR A 53 -0.659 -0.767 -12.393 1.00 0.87 O ATOM 758 CG2 THR A 53 -1.654 -2.845 -13.112 1.00 1.00 C ATOM 0 H THR A 53 0.056 -1.801 -9.456 1.00 0.63 H new ATOM 0 HA THR A 53 -2.584 -1.740 -10.770 1.00 0.76 H new ATOM 0 HB THR A 53 0.097 -2.634 -11.910 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.187 -0.728 -13.251 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.111 -2.779 -14.055 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.787 -3.893 -12.842 1.00 1.00 H new ATOM 0 HG23 THR A 53 -2.630 -2.372 -13.222 1.00 1.00 H new ATOM 763 N TYR A 54 -3.022 -4.156 -10.416 1.00 0.93 N ATOM 764 CA TYR A 54 -3.341 -5.542 -10.098 1.00 1.04 C ATOM 765 C TYR A 54 -3.919 -6.251 -11.317 1.00 1.18 C ATOM 766 O TYR A 54 -5.053 -5.988 -11.718 1.00 1.53 O ATOM 767 CB TYR A 54 -4.335 -5.613 -8.936 1.00 1.11 C ATOM 768 CG TYR A 54 -3.744 -5.220 -7.600 1.00 1.63 C ATOM 769 CD1 TYR A 54 -2.741 -5.981 -7.015 1.00 1.53 C ATOM 770 CD2 TYR A 54 -4.190 -4.090 -6.925 1.00 2.57 C ATOM 771 CE1 TYR A 54 -2.199 -5.630 -5.794 1.00 2.31 C ATOM 772 CE2 TYR A 54 -3.652 -3.732 -5.702 1.00 3.42 C ATOM 773 CZ TYR A 54 -2.656 -4.505 -5.142 1.00 3.28 C ATOM 774 OH TYR A 54 -2.118 -4.153 -3.926 1.00 4.18 O ATOM 0 H TYR A 54 -3.818 -3.605 -10.739 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.419 -6.043 -9.803 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -5.181 -4.961 -9.154 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.725 -6.628 -8.865 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.378 -6.862 -7.523 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.968 -3.482 -7.362 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -1.421 -6.234 -5.352 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -4.010 -2.852 -5.188 1.00 3.42 H new ATOM 0 HH TYR A 54 -2.550 -3.335 -3.602 1.00 4.18 H new ATOM 784 N GLY A 55 -3.136 -7.154 -11.899 1.00 1.09 N ATOM 785 CA GLY A 55 -3.589 -7.887 -13.067 1.00 1.20 C ATOM 786 C GLY A 55 -3.724 -7.004 -14.294 1.00 1.22 C ATOM 787 O GLY A 55 -2.813 -6.931 -15.117 1.00 2.00 O ATOM 0 H GLY A 55 -2.196 -7.391 -11.583 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -2.887 -8.694 -13.280 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.551 -8.351 -12.850 1.00 1.20 H new ATOM 791 N SER A 56 -4.867 -6.334 -14.415 1.00 0.89 N ATOM 792 CA SER A 56 -5.119 -5.453 -15.552 1.00 1.23 C ATOM 793 C SER A 56 -5.836 -4.178 -15.112 1.00 1.14 C ATOM 794 O SER A 56 -6.371 -3.439 -15.939 1.00 1.30 O ATOM 795 CB SER A 56 -5.952 -6.181 -16.609 1.00 1.66 C ATOM 796 OG SER A 56 -7.199 -6.597 -16.078 1.00 2.20 O ATOM 0 H SER A 56 -5.632 -6.384 -13.742 1.00 0.89 H new ATOM 0 HA SER A 56 -4.157 -5.174 -15.982 1.00 1.23 H new ATOM 0 HB2 SER A 56 -6.118 -5.523 -17.462 1.00 1.66 H new ATOM 0 HB3 SER A 56 -5.402 -7.048 -16.976 1.00 1.66 H new ATOM 0 HG SER A 56 -7.713 -7.058 -16.773 1.00 2.20 H new ATOM 802 N LYS A 57 -5.838 -3.920 -13.807 1.00 0.92 N ATOM 803 CA LYS A 57 -6.488 -2.734 -13.262 1.00 0.86 C ATOM 804 C LYS A 57 -5.458 -1.736 -12.749 1.00 0.77 C ATOM 805 O LYS A 57 -4.553 -2.096 -11.998 1.00 0.77 O ATOM 806 CB LYS A 57 -7.443 -3.118 -12.134 1.00 0.89 C ATOM 807 CG LYS A 57 -8.055 -1.921 -11.418 1.00 0.91 C ATOM 808 CD LYS A 57 -8.916 -2.361 -10.247 1.00 1.02 C ATOM 809 CE LYS A 57 -10.348 -2.650 -10.676 1.00 1.79 C ATOM 810 NZ LYS A 57 -10.414 -3.708 -11.722 1.00 2.51 N ATOM 0 H LYS A 57 -5.396 -4.517 -13.108 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.056 -2.265 -14.065 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.244 -3.735 -12.542 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.907 -3.730 -11.408 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.262 -1.263 -11.062 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.658 -1.344 -12.119 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -8.485 -3.254 -9.794 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -8.915 -1.584 -9.483 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.931 -2.961 -9.809 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -10.804 -1.736 -11.056 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -11.371 -4.113 -11.746 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.190 -3.294 -12.649 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -9.727 -4.457 -11.502 1.00 2.51 H new ATOM 824 N VAL A 58 -5.605 -0.482 -13.161 1.00 0.75 N ATOM 825 CA VAL A 58 -4.698 0.570 -12.737 1.00 0.70 C ATOM 826 C VAL A 58 -5.301 1.375 -11.591 1.00 0.63 C ATOM 827 O VAL A 58 -6.460 1.789 -11.649 1.00 0.66 O ATOM 828 CB VAL A 58 -4.360 1.511 -13.911 1.00 0.76 C ATOM 829 CG1 VAL A 58 -5.600 2.259 -14.380 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.253 2.481 -13.526 1.00 1.31 C ATOM 0 H VAL A 58 -6.346 -0.172 -13.789 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.780 0.096 -12.391 1.00 0.70 H new ATOM 0 HB VAL A 58 -4.000 0.902 -14.740 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -5.337 2.916 -15.209 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -6.353 1.544 -14.710 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -5.999 2.853 -13.558 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.032 3.134 -14.370 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.576 3.083 -12.676 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -2.357 1.922 -13.256 1.00 1.31 H new ATOM 834 N ILE A 59 -4.514 1.581 -10.542 1.00 0.59 N ATOM 835 CA ILE A 59 -4.971 2.336 -9.385 1.00 0.56 C ATOM 836 C ILE A 59 -4.081 3.549 -9.152 1.00 0.50 C ATOM 837 O ILE A 59 -2.894 3.414 -8.860 1.00 0.48 O ATOM 838 CB ILE A 59 -4.988 1.460 -8.115 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.865 0.224 -8.337 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.485 2.263 -6.921 1.00 0.79 C ATOM 841 CD1 ILE A 59 -5.812 -0.774 -7.201 1.00 1.60 C ATOM 0 H ILE A 59 -3.557 1.235 -10.470 1.00 0.59 H new ATOM 0 HA ILE A 59 -5.988 2.668 -9.593 1.00 0.56 H new ATOM 0 HB ILE A 59 -3.971 1.130 -7.905 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -6.897 0.543 -8.480 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.554 -0.270 -9.257 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.491 1.630 -6.034 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.825 3.114 -6.755 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.496 2.620 -7.118 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -6.458 -1.621 -7.431 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -4.788 -1.123 -7.071 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -6.152 -0.297 -6.282 1.00 1.60 H new ATOM 845 N HIS A 60 -4.664 4.735 -9.283 1.00 0.50 N ATOM 846 CA HIS A 60 -3.919 5.977 -9.095 1.00 0.48 C ATOM 847 C HIS A 60 -4.406 6.732 -7.861 1.00 0.49 C ATOM 848 O HIS A 60 -5.602 6.979 -7.706 1.00 0.57 O ATOM 849 CB HIS A 60 -4.053 6.866 -10.333 1.00 0.55 C ATOM 850 CG HIS A 60 -3.300 8.155 -10.229 1.00 1.14 C ATOM 851 ND1 HIS A 60 -3.853 9.314 -9.724 1.00 1.39 N ATOM 852 CD2 HIS A 60 -2.026 8.467 -10.570 1.00 2.15 C ATOM 853 CE1 HIS A 60 -2.955 10.281 -9.761 1.00 2.24 C ATOM 854 NE2 HIS A 60 -1.838 9.793 -10.269 1.00 2.74 N ATOM 0 H HIS A 60 -5.648 4.864 -9.518 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.870 5.719 -8.947 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.698 6.317 -11.205 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -5.108 7.084 -10.501 1.00 0.55 H new ATOM 0 HD1 HIS A 60 -4.807 9.409 -9.376 1.00 1.39 H new ATOM 0 HD2 HIS A 60 -1.295 7.797 -10.999 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -3.108 11.298 -9.432 1.00 2.24 H new ATOM 863 N ASN A 61 -3.468 7.103 -6.992 1.00 0.45 N ATOM 864 CA ASN A 61 -3.797 7.832 -5.771 1.00 0.50 C ATOM 865 C ASN A 61 -2.828 8.992 -5.548 1.00 0.47 C ATOM 866 O ASN A 61 -1.738 9.023 -6.120 1.00 0.69 O ATOM 867 CB ASN A 61 -3.763 6.891 -4.563 1.00 0.58 C ATOM 868 CG ASN A 61 -4.785 5.775 -4.661 1.00 0.86 C ATOM 869 OD1 ASN A 61 -5.934 6.070 -5.259 1.00 1.79 O flip ATOM 870 ND2 ASN A 61 -4.548 4.659 -4.198 1.00 1.01 N flip ATOM 0 H ASN A 61 -2.474 6.910 -7.112 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.803 8.236 -5.883 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.767 6.459 -4.473 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.945 7.466 -3.655 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -3.652 4.474 -3.746 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -5.247 3.920 -4.266 1.00 1.01 H new ATOM 875 N GLU A 62 -3.235 9.944 -4.713 1.00 0.49 N ATOM 876 CA GLU A 62 -2.406 11.105 -4.405 1.00 0.50 C ATOM 877 C GLU A 62 -2.597 11.523 -2.950 1.00 0.49 C ATOM 878 O GLU A 62 -3.712 11.504 -2.431 1.00 0.57 O ATOM 879 CB GLU A 62 -2.746 12.271 -5.336 1.00 0.69 C ATOM 880 CG GLU A 62 -4.233 12.577 -5.410 1.00 1.45 C ATOM 881 CD GLU A 62 -4.528 13.862 -6.157 1.00 1.63 C ATOM 882 OE1 GLU A 62 -4.158 13.956 -7.346 1.00 2.01 O ATOM 883 OE2 GLU A 62 -5.125 14.776 -5.551 1.00 1.80 O ATOM 0 H GLU A 62 -4.137 9.934 -4.236 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.362 10.831 -4.558 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -2.217 13.162 -4.997 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -2.380 12.044 -6.337 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -4.746 11.750 -5.901 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -4.636 12.648 -4.400 1.00 1.45 H new ATOM 890 N PHE A 63 -1.502 11.900 -2.296 1.00 0.44 N ATOM 891 CA PHE A 63 -1.551 12.311 -0.898 1.00 0.45 C ATOM 892 C PHE A 63 -0.495 13.366 -0.591 1.00 0.44 C ATOM 893 O PHE A 63 0.557 13.415 -1.229 1.00 0.45 O ATOM 894 CB PHE A 63 -1.359 11.096 0.012 1.00 0.49 C ATOM 895 CG PHE A 63 -0.280 10.160 -0.452 1.00 0.70 C ATOM 896 CD1 PHE A 63 1.057 10.461 -0.240 1.00 0.98 C ATOM 897 CD2 PHE A 63 -0.602 8.982 -1.103 1.00 1.10 C ATOM 898 CE1 PHE A 63 2.051 9.602 -0.667 1.00 1.45 C ATOM 899 CE2 PHE A 63 0.387 8.119 -1.532 1.00 1.54 C ATOM 900 CZ PHE A 63 1.715 8.428 -1.314 1.00 1.66 C ATOM 0 H PHE A 63 -0.571 11.929 -2.712 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.530 12.752 -0.711 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -1.121 11.441 1.018 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.300 10.549 0.077 1.00 0.49 H new ATOM 0 HD1 PHE A 63 1.324 11.378 0.265 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -1.639 8.735 -1.278 1.00 1.10 H new ATOM 0 HE1 PHE A 63 3.089 9.847 -0.496 1.00 1.45 H new ATOM 0 HE2 PHE A 63 0.122 7.202 -2.038 1.00 1.54 H new ATOM 0 HZ PHE A 63 2.489 7.754 -1.648 1.00 1.66 H new ATOM 910 N THR A 64 -0.786 14.210 0.396 1.00 0.47 N ATOM 911 CA THR A 64 0.131 15.267 0.799 1.00 0.49 C ATOM 912 C THR A 64 0.864 14.894 2.083 1.00 0.49 C ATOM 913 O THR A 64 0.248 14.482 3.066 1.00 0.55 O ATOM 914 CB THR A 64 -0.609 16.602 1.015 1.00 0.57 C ATOM 915 OG1 THR A 64 -1.356 16.944 -0.158 1.00 0.62 O ATOM 916 CG2 THR A 64 0.371 17.720 1.340 1.00 0.62 C ATOM 0 H THR A 64 -1.654 14.180 0.932 1.00 0.47 H new ATOM 0 HA THR A 64 0.852 15.387 -0.010 1.00 0.49 H new ATOM 0 HB THR A 64 -1.290 16.481 1.858 1.00 0.57 H new ATOM 0 HG1 THR A 64 -2.240 16.522 -0.118 1.00 0.62 H new ATOM 0 HG21 THR A 64 -0.176 18.651 1.488 1.00 0.62 H new ATOM 0 HG22 THR A 64 0.918 17.472 2.250 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.074 17.839 0.515 1.00 0.62 H new ATOM 921 N LEU A 65 2.183 15.043 2.066 1.00 0.47 N ATOM 922 CA LEU A 65 3.009 14.720 3.223 1.00 0.50 C ATOM 923 C LEU A 65 2.789 15.721 4.356 1.00 0.53 C ATOM 924 O LEU A 65 2.718 16.927 4.126 1.00 0.99 O ATOM 925 CB LEU A 65 4.483 14.707 2.822 1.00 0.72 C ATOM 926 CG LEU A 65 4.833 13.767 1.667 1.00 1.05 C ATOM 927 CD1 LEU A 65 6.239 14.047 1.161 1.00 1.57 C ATOM 928 CD2 LEU A 65 4.701 12.314 2.099 1.00 1.42 C ATOM 0 H LEU A 65 2.705 15.387 1.260 1.00 0.47 H new ATOM 0 HA LEU A 65 2.720 13.732 3.581 1.00 0.50 H new ATOM 0 HB2 LEU A 65 4.778 15.720 2.548 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.078 14.426 3.691 1.00 0.72 H new ATOM 0 HG LEU A 65 4.131 13.947 0.853 1.00 1.05 H new ATOM 0 HD11 LEU A 65 6.472 13.369 0.340 1.00 1.57 H new ATOM 0 HD12 LEU A 65 6.301 15.077 0.810 1.00 1.57 H new ATOM 0 HD13 LEU A 65 6.954 13.895 1.970 1.00 1.57 H new ATOM 0 HD21 LEU A 65 4.954 11.662 1.263 1.00 1.42 H new ATOM 0 HD22 LEU A 65 5.378 12.119 2.930 1.00 1.42 H new ATOM 0 HD23 LEU A 65 3.676 12.120 2.413 1.00 1.42 H new ATOM 934 N GLY A 66 2.685 15.206 5.577 1.00 0.46 N ATOM 935 CA GLY A 66 2.488 16.061 6.735 1.00 0.60 C ATOM 936 C GLY A 66 1.084 16.631 6.824 1.00 0.61 C ATOM 937 O GLY A 66 0.841 17.574 7.578 1.00 0.80 O ATOM 0 H GLY A 66 2.734 14.209 5.786 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.700 15.491 7.640 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.205 16.881 6.699 1.00 0.60 H new ATOM 941 N GLU A 67 0.156 16.061 6.060 1.00 0.54 N ATOM 942 CA GLU A 67 -1.226 16.536 6.065 1.00 0.57 C ATOM 943 C GLU A 67 -2.209 15.390 5.843 1.00 0.55 C ATOM 944 O GLU A 67 -1.924 14.444 5.109 1.00 0.55 O ATOM 945 CB GLU A 67 -1.424 17.603 4.989 1.00 0.60 C ATOM 946 CG GLU A 67 -0.800 18.944 5.337 1.00 1.30 C ATOM 947 CD GLU A 67 -1.508 19.635 6.484 1.00 1.85 C ATOM 948 OE1 GLU A 67 -1.151 19.369 7.651 1.00 2.66 O ATOM 949 OE2 GLU A 67 -2.422 20.443 6.216 1.00 2.14 O ATOM 0 H GLU A 67 0.333 15.276 5.434 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.424 16.970 7.045 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.997 17.245 4.052 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -2.492 17.742 4.820 1.00 0.60 H new ATOM 0 HG2 GLU A 67 0.248 18.796 5.598 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -0.822 19.590 4.459 1.00 1.30 H new ATOM 956 N GLU A 68 -3.371 15.489 6.485 1.00 0.60 N ATOM 957 CA GLU A 68 -4.410 14.472 6.357 1.00 0.61 C ATOM 958 C GLU A 68 -5.134 14.617 5.022 1.00 0.63 C ATOM 959 O GLU A 68 -5.726 15.660 4.738 1.00 0.71 O ATOM 960 CB GLU A 68 -5.417 14.592 7.504 1.00 0.71 C ATOM 961 CG GLU A 68 -6.474 13.498 7.502 1.00 0.74 C ATOM 962 CD GLU A 68 -7.416 13.595 8.687 1.00 1.01 C ATOM 963 OE1 GLU A 68 -8.394 14.368 8.606 1.00 1.05 O ATOM 964 OE2 GLU A 68 -7.177 12.897 9.696 1.00 1.32 O ATOM 0 H GLU A 68 -3.616 16.265 7.100 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.936 13.491 6.400 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.880 14.565 8.452 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.910 15.562 7.444 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -7.050 13.556 6.579 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.984 12.524 7.511 1.00 0.74 H new ATOM 971 N CYS A 69 -5.082 13.572 4.205 1.00 0.61 N ATOM 972 CA CYS A 69 -5.735 13.587 2.902 1.00 0.67 C ATOM 973 C CYS A 69 -6.801 12.503 2.812 1.00 0.67 C ATOM 974 O CYS A 69 -6.699 11.462 3.462 1.00 0.64 O ATOM 975 CB CYS A 69 -4.703 13.408 1.788 1.00 0.73 C ATOM 976 SG CYS A 69 -3.695 14.875 1.479 1.00 1.86 S ATOM 0 H CYS A 69 -4.594 12.703 4.422 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.223 14.554 2.779 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -4.047 12.576 2.045 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -5.220 13.134 0.868 1.00 0.73 H new ATOM 0 HG CYS A 69 -3.341 14.902 0.229 1.00 1.86 H new ATOM 982 N GLU A 70 -7.824 12.754 2.004 1.00 0.75 N ATOM 983 CA GLU A 70 -8.912 11.800 1.832 1.00 0.77 C ATOM 984 C GLU A 70 -8.720 10.978 0.561 1.00 0.81 C ATOM 985 O GLU A 70 -8.668 11.522 -0.543 1.00 0.87 O ATOM 986 CB GLU A 70 -10.253 12.530 1.789 1.00 0.84 C ATOM 987 CG GLU A 70 -11.455 11.599 1.761 1.00 0.91 C ATOM 988 CD GLU A 70 -12.770 12.349 1.720 1.00 1.22 C ATOM 989 OE1 GLU A 70 -13.218 12.820 2.787 1.00 1.25 O ATOM 990 OE2 GLU A 70 -13.355 12.464 0.623 1.00 1.71 O ATOM 0 H GLU A 70 -7.923 13.610 1.458 1.00 0.75 H new ATOM 0 HA GLU A 70 -8.906 11.120 2.683 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.330 13.182 2.659 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.280 13.170 0.907 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.385 10.947 0.890 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.434 10.957 2.642 1.00 0.91 H new ATOM 997 N LEU A 71 -8.616 9.664 0.727 1.00 0.83 N ATOM 998 CA LEU A 71 -8.431 8.758 -0.399 1.00 0.91 C ATOM 999 C LEU A 71 -9.575 7.759 -0.482 1.00 0.94 C ATOM 1000 O LEU A 71 -10.126 7.344 0.538 1.00 0.96 O ATOM 1001 CB LEU A 71 -7.097 8.020 -0.277 1.00 0.99 C ATOM 1002 CG LEU A 71 -6.679 7.221 -1.514 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -6.475 8.146 -2.703 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.415 6.426 -1.230 1.00 1.91 C ATOM 0 H LEU A 71 -8.657 9.202 1.635 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.423 9.351 -1.314 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.317 8.747 -0.053 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.152 7.340 0.573 1.00 0.99 H new ATOM 0 HG LEU A 71 -7.478 6.521 -1.759 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -6.178 7.560 -3.573 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -7.405 8.671 -2.919 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -5.695 8.871 -2.470 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -5.131 5.864 -2.120 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -4.609 7.108 -0.960 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.597 5.735 -0.407 1.00 1.91 H new ATOM 1010 N GLU A 72 -9.929 7.376 -1.703 1.00 0.99 N ATOM 1011 CA GLU A 72 -11.016 6.433 -1.921 1.00 1.05 C ATOM 1012 C GLU A 72 -10.521 4.994 -1.813 1.00 1.11 C ATOM 1013 O GLU A 72 -9.582 4.595 -2.501 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.644 6.664 -3.295 1.00 1.13 C ATOM 1015 CG GLU A 72 -13.068 6.152 -3.399 1.00 1.52 C ATOM 1016 CD GLU A 72 -13.675 6.376 -4.770 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -14.246 7.464 -4.995 1.00 2.11 O ATOM 1018 OE2 GLU A 72 -13.576 5.466 -5.619 1.00 1.82 O ATOM 0 H GLU A 72 -9.478 7.705 -2.557 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.768 6.597 -1.149 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -11.632 7.731 -3.517 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -11.033 6.174 -4.053 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -13.084 5.087 -3.170 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -13.683 6.649 -2.649 1.00 1.52 H new ATOM 1025 N THR A 73 -11.164 4.222 -0.944 1.00 1.12 N ATOM 1026 CA THR A 73 -10.795 2.827 -0.739 1.00 1.22 C ATOM 1027 C THR A 73 -11.268 1.955 -1.898 1.00 1.35 C ATOM 1028 O THR A 73 -12.022 2.406 -2.760 1.00 1.38 O ATOM 1029 CB THR A 73 -11.390 2.276 0.571 1.00 1.24 C ATOM 1030 OG1 THR A 73 -12.820 2.322 0.517 1.00 1.76 O ATOM 1031 CG2 THR A 73 -10.899 3.077 1.769 1.00 1.63 C ATOM 0 H THR A 73 -11.945 4.540 -0.369 1.00 1.12 H new ATOM 0 HA THR A 73 -9.707 2.795 -0.682 1.00 1.22 H new ATOM 0 HB THR A 73 -11.063 1.243 0.685 1.00 1.24 H new ATOM 0 HG1 THR A 73 -13.127 3.223 0.750 1.00 1.76 H new ATOM 0 HG21 THR A 73 -11.333 2.669 2.682 1.00 1.63 H new ATOM 0 HG22 THR A 73 -9.812 3.018 1.826 1.00 1.63 H new ATOM 0 HG23 THR A 73 -11.200 4.119 1.658 1.00 1.63 H new ATOM 1036 N MET A 74 -10.818 0.704 -1.908 1.00 1.45 N ATOM 1037 CA MET A 74 -11.194 -0.237 -2.957 1.00 1.60 C ATOM 1038 C MET A 74 -12.681 -0.570 -2.880 1.00 1.65 C ATOM 1039 O MET A 74 -13.246 -1.148 -3.809 1.00 1.81 O ATOM 1040 CB MET A 74 -10.363 -1.519 -2.848 1.00 1.70 C ATOM 1041 CG MET A 74 -10.642 -2.331 -1.590 1.00 2.32 C ATOM 1042 SD MET A 74 -9.993 -1.556 -0.097 1.00 3.10 S ATOM 1043 CE MET A 74 -10.460 -2.763 1.141 1.00 3.79 C ATOM 0 H MET A 74 -10.192 0.318 -1.201 1.00 1.45 H new ATOM 0 HA MET A 74 -10.994 0.233 -3.920 1.00 1.60 H new ATOM 0 HB2 MET A 74 -10.558 -2.142 -3.721 1.00 1.70 H new ATOM 0 HB3 MET A 74 -9.305 -1.258 -2.873 1.00 1.70 H new ATOM 0 HG2 MET A 74 -11.718 -2.469 -1.484 1.00 2.32 H new ATOM 0 HG3 MET A 74 -10.203 -3.323 -1.699 1.00 2.32 H new ATOM 0 HE1 MET A 74 -10.459 -2.294 2.125 1.00 3.79 H new ATOM 0 HE2 MET A 74 -11.458 -3.142 0.921 1.00 3.79 H new ATOM 0 HE3 MET A 74 -9.748 -3.588 1.131 1.00 3.79 H new ATOM 1053 N THR A 75 -13.310 -0.200 -1.769 1.00 1.57 N ATOM 1054 CA THR A 75 -14.731 -0.458 -1.569 1.00 1.67 C ATOM 1055 C THR A 75 -15.573 0.728 -2.024 1.00 1.56 C ATOM 1056 O THR A 75 -16.763 0.587 -2.307 1.00 1.74 O ATOM 1057 CB THR A 75 -15.048 -0.754 -0.093 1.00 1.89 C ATOM 1058 OG1 THR A 75 -14.828 0.420 0.701 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.184 -1.891 0.430 1.00 2.00 C ATOM 0 H THR A 75 -12.856 0.281 -0.992 1.00 1.57 H new ATOM 0 HA THR A 75 -14.979 -1.333 -2.170 1.00 1.67 H new ATOM 0 HB THR A 75 -16.094 -1.051 -0.023 1.00 1.89 H new ATOM 0 HG1 THR A 75 -14.065 0.919 0.343 1.00 2.23 H new ATOM 0 HG21 THR A 75 -14.427 -2.081 1.475 1.00 2.00 H new ATOM 0 HG22 THR A 75 -14.373 -2.791 -0.156 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.132 -1.617 0.346 1.00 2.00 H new ATOM 1064 N GLY A 76 -14.946 1.898 -2.092 1.00 1.40 N ATOM 1065 CA GLY A 76 -15.650 3.097 -2.507 1.00 1.47 C ATOM 1066 C GLY A 76 -15.926 4.030 -1.346 1.00 1.35 C ATOM 1067 O GLY A 76 -16.623 5.034 -1.497 1.00 1.39 O ATOM 0 H GLY A 76 -13.961 2.037 -1.867 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -15.060 3.621 -3.259 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -16.592 2.818 -2.979 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.375 3.695 -0.183 1.00 1.28 N ATOM 1072 CA GLU A 77 -15.559 4.505 1.017 1.00 1.22 C ATOM 1073 C GLU A 77 -14.460 5.558 1.132 1.00 1.12 C ATOM 1074 O GLU A 77 -13.299 5.293 0.823 1.00 1.11 O ATOM 1075 CB GLU A 77 -15.562 3.612 2.259 1.00 1.28 C ATOM 1076 CG GLU A 77 -15.754 4.375 3.560 1.00 1.30 C ATOM 1077 CD GLU A 77 -15.750 3.465 4.773 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -16.835 2.974 5.151 1.00 1.66 O ATOM 1079 OE2 GLU A 77 -14.661 3.242 5.343 1.00 1.94 O ATOM 0 H GLU A 77 -14.796 2.866 -0.046 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.519 5.016 0.943 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.356 2.872 2.162 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -14.620 3.065 2.305 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -14.961 5.116 3.663 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.697 4.920 3.522 1.00 1.30 H new ATOM 1086 N LYS A 78 -14.836 6.751 1.580 1.00 1.12 N ATOM 1087 CA LYS A 78 -13.882 7.845 1.739 1.00 1.06 C ATOM 1088 C LYS A 78 -13.211 7.785 3.106 1.00 0.97 C ATOM 1089 O LYS A 78 -13.878 7.835 4.140 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.585 9.192 1.560 1.00 1.19 C ATOM 1091 CG LYS A 78 -15.217 9.373 0.188 1.00 1.29 C ATOM 1092 CD LYS A 78 -14.166 9.422 -0.911 1.00 1.78 C ATOM 1093 CE LYS A 78 -14.802 9.518 -2.288 1.00 2.39 C ATOM 1094 NZ LYS A 78 -15.660 10.728 -2.423 1.00 2.94 N ATOM 0 H LYS A 78 -15.794 6.986 1.840 1.00 1.12 H new ATOM 0 HA LYS A 78 -13.114 7.740 0.973 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -15.357 9.293 2.322 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -13.865 9.993 1.727 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -15.909 8.553 -0.006 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.801 10.293 0.175 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.511 10.279 -0.751 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -13.542 8.530 -0.859 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -14.021 9.541 -3.047 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -15.401 8.626 -2.474 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -15.937 10.848 -3.418 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -16.512 10.616 -1.837 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -15.131 11.566 -2.108 1.00 2.94 H new ATOM 1108 N VAL A 79 -11.884 7.680 3.105 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.120 7.613 4.344 1.00 0.86 C ATOM 1110 C VAL A 79 -10.039 8.689 4.384 1.00 0.81 C ATOM 1111 O VAL A 79 -9.518 9.097 3.348 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.462 6.233 4.521 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -11.521 5.149 4.642 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.516 5.938 3.365 1.00 1.05 C ATOM 0 H VAL A 79 -11.317 7.640 2.258 1.00 0.89 H new ATOM 0 HA VAL A 79 -11.824 7.780 5.160 1.00 0.86 H new ATOM 0 HB VAL A 79 -9.879 6.245 5.442 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.037 4.180 4.766 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.153 5.353 5.506 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.133 5.136 3.740 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.061 4.958 3.508 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.073 5.946 2.428 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -8.736 6.699 3.330 1.00 1.05 H new ATOM 1118 N LYS A 80 -9.708 9.142 5.589 1.00 0.79 N ATOM 1119 CA LYS A 80 -8.686 10.169 5.769 1.00 0.76 C ATOM 1120 C LYS A 80 -7.475 9.594 6.497 1.00 0.68 C ATOM 1121 O LYS A 80 -7.620 8.917 7.514 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.260 11.353 6.548 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.508 11.950 5.916 1.00 1.48 C ATOM 1124 CD LYS A 80 -11.111 13.036 6.791 1.00 1.82 C ATOM 1125 CE LYS A 80 -12.356 13.639 6.157 1.00 2.54 C ATOM 1126 NZ LYS A 80 -13.431 12.625 5.969 1.00 3.13 N ATOM 0 H LYS A 80 -10.133 8.814 6.457 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.366 10.517 4.787 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -9.495 11.030 7.562 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -8.498 12.128 6.629 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.259 12.365 4.939 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -11.245 11.164 5.750 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -11.364 12.620 7.766 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -10.372 13.819 6.960 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -12.727 14.449 6.785 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -12.097 14.076 5.193 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -14.332 13.004 6.326 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -13.525 12.403 4.957 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -13.188 11.760 6.492 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.280 9.868 5.976 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.054 9.359 6.581 1.00 0.62 C ATOM 1142 C ALA A 81 -3.893 10.337 6.432 1.00 0.58 C ATOM 1143 O ALA A 81 -3.759 11.009 5.408 1.00 0.60 O ATOM 1144 CB ALA A 81 -4.687 8.020 5.961 1.00 0.69 C ATOM 0 H ALA A 81 -6.137 10.436 5.141 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.242 9.232 7.647 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -3.771 7.646 6.418 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.494 7.307 6.131 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -4.533 8.145 4.889 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.056 10.407 7.464 1.00 0.58 N ATOM 1151 CA VAL A 82 -1.894 11.285 7.457 1.00 0.56 C ATOM 1152 C VAL A 82 -0.631 10.513 7.085 1.00 0.50 C ATOM 1153 O VAL A 82 -0.233 9.579 7.787 1.00 0.48 O ATOM 1154 CB VAL A 82 -1.684 11.956 8.828 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -0.507 12.918 8.780 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -2.949 12.673 9.270 1.00 1.34 C ATOM 0 H VAL A 82 -3.164 9.862 8.319 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.084 12.057 6.711 1.00 0.56 H new ATOM 0 HB VAL A 82 -1.458 11.180 9.559 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -0.376 13.381 9.758 1.00 1.40 H new ATOM 0 HG12 VAL A 82 0.398 12.373 8.512 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -0.699 13.691 8.035 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -2.782 13.141 10.240 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -3.208 13.438 8.538 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -3.765 11.955 9.349 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.015 10.902 5.974 1.00 0.50 N ATOM 1161 CA VAL A 83 1.203 10.256 5.502 1.00 0.47 C ATOM 1162 C VAL A 83 2.414 11.174 5.663 1.00 0.45 C ATOM 1163 O VAL A 83 2.457 12.265 5.098 1.00 0.53 O ATOM 1164 CB VAL A 83 1.072 9.828 4.026 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.603 10.996 3.172 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.390 9.273 3.505 1.00 1.11 C ATOM 0 H VAL A 83 -0.342 11.665 5.381 1.00 0.50 H new ATOM 0 HA VAL A 83 1.352 9.367 6.114 1.00 0.47 H new ATOM 0 HB VAL A 83 0.325 9.037 3.964 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.516 10.676 2.134 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.368 11.340 3.528 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.324 11.810 3.241 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.274 8.978 2.462 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.163 10.038 3.581 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.679 8.405 4.098 1.00 1.11 H new ATOM 1170 N LYS A 84 3.390 10.727 6.447 1.00 0.41 N ATOM 1171 CA LYS A 84 4.595 11.497 6.686 1.00 0.43 C ATOM 1172 C LYS A 84 5.829 10.752 6.180 1.00 0.42 C ATOM 1173 O LYS A 84 5.847 9.522 6.141 1.00 0.44 O ATOM 1174 CB LYS A 84 4.735 11.770 8.177 1.00 0.48 C ATOM 1175 CG LYS A 84 3.866 12.914 8.674 1.00 0.78 C ATOM 1176 CD LYS A 84 4.004 13.116 10.176 1.00 0.91 C ATOM 1177 CE LYS A 84 5.351 13.718 10.547 1.00 1.51 C ATOM 1178 NZ LYS A 84 6.459 12.731 10.425 1.00 2.11 N ATOM 0 H LYS A 84 3.364 9.828 6.929 1.00 0.41 H new ATOM 0 HA LYS A 84 4.518 12.439 6.143 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.479 10.865 8.728 1.00 0.48 H new ATOM 0 HB3 LYS A 84 5.778 11.995 8.400 1.00 0.48 H new ATOM 0 HG2 LYS A 84 4.143 13.832 8.157 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.823 12.712 8.429 1.00 0.78 H new ATOM 0 HD2 LYS A 84 3.205 13.768 10.529 1.00 0.91 H new ATOM 0 HD3 LYS A 84 3.882 12.159 10.684 1.00 0.91 H new ATOM 0 HE2 LYS A 84 5.555 14.573 9.902 1.00 1.51 H new ATOM 0 HE3 LYS A 84 5.311 14.092 11.570 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 7.120 12.851 11.219 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 6.069 11.767 10.442 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 6.963 12.884 9.528 1.00 2.11 H new ATOM 1192 N MET A 85 6.856 11.505 5.794 1.00 0.48 N ATOM 1193 CA MET A 85 8.091 10.909 5.296 1.00 0.52 C ATOM 1194 C MET A 85 9.261 11.218 6.226 1.00 0.57 C ATOM 1195 O MET A 85 9.383 12.331 6.736 1.00 0.67 O ATOM 1196 CB MET A 85 8.405 11.415 3.886 1.00 0.68 C ATOM 1197 CG MET A 85 8.645 12.914 3.812 1.00 1.26 C ATOM 1198 SD MET A 85 9.400 13.419 2.256 1.00 1.83 S ATOM 1199 CE MET A 85 9.479 15.194 2.481 1.00 2.62 C ATOM 0 H MET A 85 6.857 12.525 5.817 1.00 0.48 H new ATOM 0 HA MET A 85 7.947 9.829 5.262 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.288 10.896 3.512 1.00 0.68 H new ATOM 0 HB3 MET A 85 7.578 11.156 3.224 1.00 0.68 H new ATOM 0 HG2 MET A 85 7.697 13.437 3.938 1.00 1.26 H new ATOM 0 HG3 MET A 85 9.288 13.217 4.639 1.00 1.26 H new ATOM 0 HE1 MET A 85 9.925 15.653 1.599 1.00 2.62 H new ATOM 0 HE2 MET A 85 8.473 15.588 2.626 1.00 2.62 H new ATOM 0 HE3 MET A 85 10.088 15.423 3.356 1.00 2.62 H new ATOM 1209 N GLU A 86 10.113 10.222 6.444 1.00 0.60 N ATOM 1210 CA GLU A 86 11.279 10.391 7.302 1.00 0.73 C ATOM 1211 C GLU A 86 12.544 10.481 6.458 1.00 0.84 C ATOM 1212 O GLU A 86 13.596 10.911 6.930 1.00 1.00 O ATOM 1213 CB GLU A 86 11.390 9.230 8.294 1.00 0.77 C ATOM 1214 CG GLU A 86 12.525 9.385 9.294 1.00 1.07 C ATOM 1215 CD GLU A 86 12.362 10.605 10.178 1.00 1.44 C ATOM 1216 OE1 GLU A 86 12.838 11.692 9.786 1.00 2.06 O ATOM 1217 OE2 GLU A 86 11.755 10.474 11.262 1.00 1.48 O ATOM 0 H GLU A 86 10.018 9.291 6.039 1.00 0.60 H new ATOM 0 HA GLU A 86 11.162 11.317 7.864 1.00 0.73 H new ATOM 0 HB2 GLU A 86 10.450 9.137 8.837 1.00 0.77 H new ATOM 0 HB3 GLU A 86 11.531 8.302 7.739 1.00 0.77 H new ATOM 0 HG2 GLU A 86 12.578 8.493 9.918 1.00 1.07 H new ATOM 0 HG3 GLU A 86 13.471 9.454 8.756 1.00 1.07 H new ATOM 1224 N GLY A 87 12.422 10.076 5.201 1.00 0.80 N ATOM 1225 CA GLY A 87 13.549 10.111 4.288 1.00 0.95 C ATOM 1226 C GLY A 87 14.697 9.229 4.737 1.00 0.81 C ATOM 1227 O GLY A 87 15.826 9.394 4.277 1.00 1.62 O ATOM 0 H GLY A 87 11.556 9.721 4.794 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.219 9.794 3.299 1.00 0.95 H new ATOM 0 HA3 GLY A 87 13.902 11.138 4.193 1.00 0.95 H new ATOM 1231 N ASP A 88 14.413 8.286 5.633 1.00 0.89 N ATOM 1232 CA ASP A 88 15.443 7.385 6.135 1.00 1.05 C ATOM 1233 C ASP A 88 14.862 6.026 6.521 1.00 0.98 C ATOM 1234 O ASP A 88 14.700 5.725 7.704 1.00 1.56 O ATOM 1235 CB ASP A 88 16.151 8.005 7.342 1.00 1.46 C ATOM 1236 CG ASP A 88 16.853 9.305 7.000 1.00 2.14 C ATOM 1237 OD1 ASP A 88 17.985 9.248 6.476 1.00 2.57 O ATOM 1238 OD2 ASP A 88 16.272 10.379 7.259 1.00 2.84 O ATOM 0 H ASP A 88 13.484 8.128 6.023 1.00 0.89 H new ATOM 0 HA ASP A 88 16.163 7.231 5.331 1.00 1.05 H new ATOM 0 HB2 ASP A 88 15.423 8.186 8.132 1.00 1.46 H new ATOM 0 HB3 ASP A 88 16.879 7.296 7.736 1.00 1.46 H new ATOM 1243 N ASN A 89 14.546 5.209 5.516 1.00 0.54 N ATOM 1244 CA ASN A 89 14.007 3.874 5.748 1.00 0.51 C ATOM 1245 C ASN A 89 12.776 3.885 6.652 1.00 0.46 C ATOM 1246 O ASN A 89 12.371 2.839 7.148 1.00 0.55 O ATOM 1247 CB ASN A 89 15.088 2.980 6.362 1.00 0.61 C ATOM 1248 CG ASN A 89 16.458 3.234 5.761 1.00 1.42 C ATOM 1249 OD1 ASN A 89 17.213 4.139 6.370 1.00 2.19 O flip ATOM 1250 ND2 ASN A 89 16.833 2.623 4.760 1.00 2.22 N flip ATOM 0 H ASN A 89 14.655 5.452 4.531 1.00 0.54 H new ATOM 0 HA ASN A 89 13.694 3.481 4.781 1.00 0.51 H new ATOM 0 HB2 ASN A 89 15.129 3.150 7.438 1.00 0.61 H new ATOM 0 HB3 ASN A 89 14.818 1.934 6.215 1.00 0.61 H new ATOM 0 HD21 ASN A 89 16.220 1.935 4.323 1.00 2.22 H new ATOM 0 HD22 ASN A 89 17.757 2.805 4.368 1.00 2.22 H new ATOM 1255 N LYS A 90 12.164 5.049 6.851 1.00 0.46 N ATOM 1256 CA LYS A 90 10.991 5.127 7.717 1.00 0.49 C ATOM 1257 C LYS A 90 9.868 5.960 7.107 1.00 0.46 C ATOM 1258 O LYS A 90 10.080 7.076 6.638 1.00 0.53 O ATOM 1259 CB LYS A 90 11.379 5.685 9.086 1.00 0.70 C ATOM 1260 CG LYS A 90 12.065 4.662 9.975 1.00 0.64 C ATOM 1261 CD LYS A 90 13.321 5.228 10.613 1.00 1.25 C ATOM 1262 CE LYS A 90 14.117 4.143 11.320 1.00 1.43 C ATOM 1263 NZ LYS A 90 15.409 4.659 11.849 1.00 2.05 N ATOM 0 H LYS A 90 12.453 5.934 6.434 1.00 0.46 H new ATOM 0 HA LYS A 90 10.611 4.112 7.832 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.041 6.540 8.949 1.00 0.70 H new ATOM 0 HB3 LYS A 90 10.484 6.052 9.589 1.00 0.70 H new ATOM 0 HG2 LYS A 90 11.376 4.336 10.754 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.321 3.781 9.386 1.00 0.64 H new ATOM 0 HD2 LYS A 90 13.940 5.697 9.848 1.00 1.25 H new ATOM 0 HD3 LYS A 90 13.050 6.007 11.326 1.00 1.25 H new ATOM 0 HE2 LYS A 90 13.526 3.735 12.140 1.00 1.43 H new ATOM 0 HE3 LYS A 90 14.309 3.324 10.627 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 15.922 3.889 12.324 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 15.984 5.026 11.064 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 15.225 5.424 12.530 1.00 2.05 H new ATOM 1277 N MET A 91 8.670 5.383 7.120 1.00 0.42 N ATOM 1278 CA MET A 91 7.476 6.040 6.598 1.00 0.45 C ATOM 1279 C MET A 91 6.285 5.717 7.496 1.00 0.42 C ATOM 1280 O MET A 91 5.974 4.547 7.722 1.00 0.46 O ATOM 1281 CB MET A 91 7.197 5.579 5.164 1.00 0.49 C ATOM 1282 CG MET A 91 8.329 5.879 4.195 1.00 1.03 C ATOM 1283 SD MET A 91 8.609 7.647 3.978 1.00 1.51 S ATOM 1284 CE MET A 91 7.095 8.129 3.151 1.00 1.96 C ATOM 0 H MET A 91 8.500 4.449 7.492 1.00 0.42 H new ATOM 0 HA MET A 91 7.638 7.118 6.587 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.008 4.506 5.167 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.287 6.062 4.807 1.00 0.49 H new ATOM 0 HG2 MET A 91 9.245 5.412 4.557 1.00 1.03 H new ATOM 0 HG3 MET A 91 8.103 5.430 3.228 1.00 1.03 H new ATOM 0 HE1 MET A 91 7.296 8.967 2.484 1.00 1.96 H new ATOM 0 HE2 MET A 91 6.713 7.288 2.572 1.00 1.96 H new ATOM 0 HE3 MET A 91 6.354 8.425 3.893 1.00 1.96 H new ATOM 1294 N VAL A 92 5.619 6.748 8.006 1.00 0.40 N ATOM 1295 CA VAL A 92 4.479 6.543 8.895 1.00 0.39 C ATOM 1296 C VAL A 92 3.166 6.977 8.256 1.00 0.38 C ATOM 1297 O VAL A 92 2.983 8.145 7.911 1.00 0.42 O ATOM 1298 CB VAL A 92 4.664 7.304 10.222 1.00 0.45 C ATOM 1299 CG1 VAL A 92 3.477 7.071 11.148 1.00 1.46 C ATOM 1300 CG2 VAL A 92 5.962 6.892 10.896 1.00 1.45 C ATOM 0 H VAL A 92 5.845 7.725 7.822 1.00 0.40 H new ATOM 0 HA VAL A 92 4.434 5.472 9.090 1.00 0.39 H new ATOM 0 HB VAL A 92 4.716 8.370 10.001 1.00 0.45 H new ATOM 0 HG11 VAL A 92 3.629 7.618 12.079 1.00 1.46 H new ATOM 0 HG12 VAL A 92 2.565 7.422 10.666 1.00 1.46 H new ATOM 0 HG13 VAL A 92 3.387 6.006 11.363 1.00 1.46 H new ATOM 0 HG21 VAL A 92 6.076 7.440 11.832 1.00 1.45 H new ATOM 0 HG22 VAL A 92 5.941 5.822 11.102 1.00 1.45 H new ATOM 0 HG23 VAL A 92 6.801 7.119 10.238 1.00 1.45 H new ATOM 1304 N THR A 93 2.257 6.020 8.104 1.00 0.37 N ATOM 1305 CA THR A 93 0.944 6.282 7.530 1.00 0.40 C ATOM 1306 C THR A 93 -0.144 5.618 8.369 1.00 0.41 C ATOM 1307 O THR A 93 -0.154 4.397 8.533 1.00 0.44 O ATOM 1308 CB THR A 93 0.853 5.780 6.076 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.498 5.869 5.610 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.340 4.343 5.963 1.00 0.47 C ATOM 0 H THR A 93 2.409 5.048 8.373 1.00 0.37 H new ATOM 0 HA THR A 93 0.796 7.362 7.530 1.00 0.40 H new ATOM 0 HB THR A 93 1.493 6.411 5.459 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.547 5.550 4.685 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.265 4.014 4.927 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.379 4.284 6.288 1.00 0.47 H new ATOM 0 HG23 THR A 93 0.726 3.700 6.593 1.00 0.47 H new ATOM 1315 N THR A 94 -1.057 6.423 8.903 1.00 0.42 N ATOM 1316 CA THR A 94 -2.139 5.896 9.734 1.00 0.46 C ATOM 1317 C THR A 94 -3.506 6.208 9.133 1.00 0.51 C ATOM 1318 O THR A 94 -3.803 7.359 8.810 1.00 0.57 O ATOM 1319 CB THR A 94 -2.076 6.471 11.163 1.00 0.52 C ATOM 1320 OG1 THR A 94 -0.802 6.180 11.751 1.00 1.23 O ATOM 1321 CG2 THR A 94 -3.184 5.892 12.032 1.00 1.12 C ATOM 0 H THR A 94 -1.072 7.435 8.778 1.00 0.42 H new ATOM 0 HA THR A 94 -2.006 4.815 9.775 1.00 0.46 H new ATOM 0 HB THR A 94 -2.212 7.551 11.102 1.00 0.52 H new ATOM 0 HG1 THR A 94 -0.768 6.550 12.658 1.00 1.23 H new ATOM 0 HG21 THR A 94 -3.118 6.314 13.035 1.00 1.12 H new ATOM 0 HG22 THR A 94 -4.153 6.139 11.598 1.00 1.12 H new ATOM 0 HG23 THR A 94 -3.076 4.809 12.086 1.00 1.12 H new ATOM 1326 N PHE A 95 -4.335 5.177 8.991 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.672 5.343 8.435 1.00 0.61 C ATOM 1328 C PHE A 95 -6.704 4.566 9.251 1.00 0.67 C ATOM 1329 O PHE A 95 -6.510 3.390 9.555 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.706 4.893 6.970 1.00 0.73 C ATOM 1331 CG PHE A 95 -5.438 3.427 6.770 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -4.143 2.937 6.765 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -6.486 2.540 6.582 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.896 1.590 6.578 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -6.247 1.192 6.395 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.949 0.717 6.392 1.00 0.96 C ATOM 0 H PHE A 95 -4.103 4.219 9.254 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.926 6.402 8.481 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.683 5.133 6.550 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.968 5.466 6.408 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -3.315 3.616 6.909 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -7.502 2.907 6.582 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.881 1.221 6.577 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -7.073 0.511 6.251 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.759 -0.336 6.244 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.798 5.240 9.601 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.872 4.627 10.381 1.00 0.83 C ATOM 1348 C LYS A 96 -8.362 4.125 11.732 1.00 0.85 C ATOM 1349 O LYS A 96 -8.449 4.833 12.738 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.516 3.479 9.598 1.00 0.91 C ATOM 1351 CG LYS A 96 -10.181 3.919 8.303 1.00 1.27 C ATOM 1352 CD LYS A 96 -11.408 4.777 8.568 1.00 1.53 C ATOM 1353 CE LYS A 96 -12.517 3.975 9.230 1.00 1.76 C ATOM 1354 NZ LYS A 96 -13.059 2.924 8.326 1.00 2.52 N ATOM 0 H LYS A 96 -7.964 6.216 9.355 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.625 5.393 10.568 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.754 2.734 9.370 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -10.258 2.992 10.230 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -9.468 4.480 7.699 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -10.468 3.041 7.724 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -11.135 5.617 9.206 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -11.771 5.195 7.629 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -12.136 3.510 10.139 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -13.322 4.647 9.529 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -13.955 2.562 8.712 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -13.227 3.330 7.383 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -12.375 2.144 8.250 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.833 2.905 11.752 1.00 0.78 N ATOM 1369 CA GLY A 97 -7.322 2.335 12.986 1.00 0.80 C ATOM 1370 C GLY A 97 -6.208 1.338 12.743 1.00 0.70 C ATOM 1371 O GLY A 97 -5.678 0.744 13.684 1.00 0.83 O ATOM 0 H GLY A 97 -7.749 2.300 10.935 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.956 3.136 13.629 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -8.135 1.844 13.521 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.850 1.156 11.477 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.792 0.226 11.100 1.00 0.50 C ATOM 1377 C ILE A 98 -3.436 0.927 11.077 1.00 0.45 C ATOM 1378 O ILE A 98 -3.317 2.048 10.580 1.00 0.48 O ATOM 1379 CB ILE A 98 -5.066 -0.406 9.716 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.309 -1.299 9.764 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.860 -1.203 9.239 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -7.614 -0.529 9.768 1.00 1.45 C ATOM 0 H ILE A 98 -6.280 1.643 10.691 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.775 -0.565 11.849 1.00 0.50 H new ATOM 0 HB ILE A 98 -5.248 0.401 9.007 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.296 -1.970 8.905 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.263 -1.923 10.657 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -4.075 -1.639 8.263 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.996 -0.543 9.159 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.644 -1.998 9.952 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -8.449 -1.229 9.803 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -7.649 0.122 10.641 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -7.683 0.074 8.863 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.420 0.261 11.617 1.00 0.41 N ATOM 1387 CA LYS A 99 -1.074 0.820 11.657 1.00 0.39 C ATOM 1388 C LYS A 99 -0.233 0.289 10.503 1.00 0.37 C ATOM 1389 O LYS A 99 -0.031 -0.921 10.376 1.00 0.40 O ATOM 1390 CB LYS A 99 -0.395 0.474 12.983 1.00 0.42 C ATOM 1391 CG LYS A 99 0.342 1.642 13.622 1.00 0.95 C ATOM 1392 CD LYS A 99 1.505 2.112 12.762 1.00 1.46 C ATOM 1393 CE LYS A 99 2.191 3.324 13.375 1.00 2.05 C ATOM 1394 NZ LYS A 99 3.330 3.798 12.541 1.00 2.71 N ATOM 0 H LYS A 99 -2.504 -0.667 12.033 1.00 0.41 H new ATOM 0 HA LYS A 99 -1.156 1.903 11.564 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -1.148 0.107 13.680 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.310 -0.341 12.817 1.00 0.42 H new ATOM 0 HG2 LYS A 99 -0.352 2.468 13.779 1.00 0.95 H new ATOM 0 HG3 LYS A 99 0.712 1.346 14.604 1.00 0.95 H new ATOM 0 HD2 LYS A 99 2.226 1.303 12.648 1.00 1.46 H new ATOM 0 HD3 LYS A 99 1.145 2.361 11.764 1.00 1.46 H new ATOM 0 HE2 LYS A 99 1.467 4.130 13.493 1.00 2.05 H new ATOM 0 HE3 LYS A 99 2.552 3.071 14.372 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 3.553 4.784 12.785 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 4.163 3.201 12.719 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 3.071 3.741 11.535 1.00 2.71 H new ATOM 1408 N SER A 100 0.250 1.197 9.665 1.00 0.36 N ATOM 1409 CA SER A 100 1.071 0.817 8.525 1.00 0.36 C ATOM 1410 C SER A 100 2.435 1.498 8.578 1.00 0.34 C ATOM 1411 O SER A 100 2.527 2.725 8.597 1.00 0.34 O ATOM 1412 CB SER A 100 0.361 1.165 7.217 1.00 0.40 C ATOM 1413 OG SER A 100 -0.832 0.414 7.072 1.00 1.23 O ATOM 0 H SER A 100 0.087 2.200 9.754 1.00 0.36 H new ATOM 0 HA SER A 100 1.226 -0.261 8.568 1.00 0.36 H new ATOM 0 HB2 SER A 100 0.129 2.230 7.197 1.00 0.40 H new ATOM 0 HB3 SER A 100 1.024 0.967 6.375 1.00 0.40 H new ATOM 0 HG SER A 100 -1.099 0.402 6.129 1.00 1.23 H new ATOM 1419 N VAL A 101 3.492 0.690 8.601 1.00 0.34 N ATOM 1420 CA VAL A 101 4.854 1.210 8.641 1.00 0.33 C ATOM 1421 C VAL A 101 5.641 0.739 7.423 1.00 0.33 C ATOM 1422 O VAL A 101 5.774 -0.461 7.188 1.00 0.36 O ATOM 1423 CB VAL A 101 5.590 0.769 9.921 1.00 0.37 C ATOM 1424 CG1 VAL A 101 6.950 1.444 10.017 1.00 0.49 C ATOM 1425 CG2 VAL A 101 4.748 1.071 11.152 1.00 0.59 C ATOM 0 H VAL A 101 3.430 -0.328 8.593 1.00 0.34 H new ATOM 0 HA VAL A 101 4.786 2.298 8.636 1.00 0.33 H new ATOM 0 HB VAL A 101 5.749 -0.308 9.873 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.454 1.120 10.928 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.554 1.171 9.151 1.00 0.49 H new ATOM 0 HG13 VAL A 101 6.818 2.526 10.041 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.284 0.753 12.046 1.00 0.59 H new ATOM 0 HG22 VAL A 101 4.555 2.142 11.207 1.00 0.59 H new ATOM 0 HG23 VAL A 101 3.801 0.535 11.086 1.00 0.59 H new ATOM 1429 N THR A 102 6.166 1.688 6.655 1.00 0.35 N ATOM 1430 CA THR A 102 6.931 1.364 5.456 1.00 0.40 C ATOM 1431 C THR A 102 8.393 1.774 5.589 1.00 0.37 C ATOM 1432 O THR A 102 8.699 2.916 5.936 1.00 0.39 O ATOM 1433 CB THR A 102 6.330 2.050 4.214 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.966 1.648 4.041 1.00 0.55 O ATOM 1435 CG2 THR A 102 7.124 1.708 2.961 1.00 0.59 C ATOM 0 H THR A 102 6.076 2.687 6.841 1.00 0.35 H new ATOM 0 HA THR A 102 6.879 0.282 5.337 1.00 0.40 H new ATOM 0 HB THR A 102 6.376 3.128 4.370 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.844 0.743 4.397 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.677 2.206 2.100 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.154 2.044 3.080 1.00 0.59 H new ATOM 0 HG23 THR A 102 7.110 0.629 2.804 1.00 0.59 H new ATOM 1440 N GLU A 103 9.295 0.837 5.307 1.00 0.37 N ATOM 1441 CA GLU A 103 10.725 1.109 5.371 1.00 0.38 C ATOM 1442 C GLU A 103 11.239 1.449 3.977 1.00 0.41 C ATOM 1443 O GLU A 103 11.132 0.638 3.055 1.00 0.47 O ATOM 1444 CB GLU A 103 11.481 -0.095 5.941 1.00 0.43 C ATOM 1445 CG GLU A 103 12.991 0.078 5.949 1.00 1.12 C ATOM 1446 CD GLU A 103 13.715 -1.143 6.485 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.707 -1.344 7.718 1.00 2.08 O ATOM 1448 OE2 GLU A 103 14.293 -1.895 5.674 1.00 2.10 O ATOM 0 H GLU A 103 9.059 -0.117 5.032 1.00 0.37 H new ATOM 0 HA GLU A 103 10.895 1.957 6.034 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.140 -0.277 6.960 1.00 0.43 H new ATOM 0 HB3 GLU A 103 11.229 -0.980 5.357 1.00 0.43 H new ATOM 0 HG2 GLU A 103 13.335 0.284 4.935 1.00 1.12 H new ATOM 0 HG3 GLU A 103 13.250 0.945 6.556 1.00 1.12 H new ATOM 1455 N PHE A 104 11.797 2.647 3.823 1.00 0.43 N ATOM 1456 CA PHE A 104 12.291 3.084 2.523 1.00 0.49 C ATOM 1457 C PHE A 104 13.782 2.816 2.344 1.00 0.52 C ATOM 1458 O PHE A 104 14.625 3.400 3.028 1.00 0.62 O ATOM 1459 CB PHE A 104 12.017 4.574 2.338 1.00 0.64 C ATOM 1460 CG PHE A 104 11.550 4.921 0.959 1.00 0.56 C ATOM 1461 CD1 PHE A 104 12.411 4.823 -0.120 1.00 0.69 C ATOM 1462 CD2 PHE A 104 10.249 5.332 0.742 1.00 0.61 C ATOM 1463 CE1 PHE A 104 11.980 5.132 -1.394 1.00 0.78 C ATOM 1464 CE2 PHE A 104 9.811 5.642 -0.529 1.00 0.79 C ATOM 1465 CZ PHE A 104 10.678 5.542 -1.600 1.00 0.83 C ATOM 0 H PHE A 104 11.917 3.326 4.575 1.00 0.43 H new ATOM 0 HA PHE A 104 11.760 2.505 1.767 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.264 4.891 3.060 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.926 5.134 2.559 1.00 0.64 H new ATOM 0 HD1 PHE A 104 13.430 4.502 0.037 1.00 0.69 H new ATOM 0 HD2 PHE A 104 9.568 5.411 1.576 1.00 0.61 H new ATOM 0 HE1 PHE A 104 12.660 5.053 -2.229 1.00 0.78 H new ATOM 0 HE2 PHE A 104 8.792 5.962 -0.687 1.00 0.79 H new ATOM 0 HZ PHE A 104 10.338 5.784 -2.596 1.00 0.83 H new ATOM 1475 N ASN A 105 14.098 1.960 1.376 1.00 0.53 N ATOM 1476 CA ASN A 105 15.479 1.607 1.074 1.00 0.62 C ATOM 1477 C ASN A 105 15.779 1.856 -0.399 1.00 0.67 C ATOM 1478 O ASN A 105 14.879 1.811 -1.238 1.00 0.81 O ATOM 1479 CB ASN A 105 15.743 0.139 1.409 1.00 0.69 C ATOM 1480 CG ASN A 105 15.274 -0.237 2.801 1.00 1.24 C ATOM 1481 OD1 ASN A 105 15.328 0.715 3.724 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 14.870 -1.373 3.046 1.00 1.53 N flip ATOM 0 H ASN A 105 13.409 1.496 0.784 1.00 0.53 H new ATOM 0 HA ASN A 105 16.131 2.233 1.683 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.239 -0.493 0.677 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.811 -0.063 1.323 1.00 0.69 H new ATOM 0 HD21 ASN A 105 14.845 -2.076 2.307 1.00 1.53 H new ATOM 0 HD22 ASN A 105 14.560 -1.612 3.988 1.00 1.53 H new ATOM 1487 N GLY A 106 17.042 2.117 -0.708 1.00 0.78 N ATOM 1488 CA GLY A 106 17.428 2.354 -2.086 1.00 0.82 C ATOM 1489 C GLY A 106 17.666 1.062 -2.840 1.00 0.94 C ATOM 1490 O GLY A 106 18.385 1.041 -3.838 1.00 1.44 O ATOM 0 H GLY A 106 17.804 2.169 -0.032 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.648 2.928 -2.587 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.334 2.959 -2.109 1.00 0.82 H new ATOM 1494 N ASP A 107 17.056 -0.022 -2.361 1.00 0.74 N ATOM 1495 CA ASP A 107 17.210 -1.327 -2.994 1.00 0.93 C ATOM 1496 C ASP A 107 15.932 -2.156 -2.881 1.00 0.75 C ATOM 1497 O ASP A 107 15.494 -2.769 -3.855 1.00 0.67 O ATOM 1498 CB ASP A 107 18.379 -2.086 -2.360 1.00 1.22 C ATOM 1499 CG ASP A 107 19.704 -1.373 -2.550 1.00 1.91 C ATOM 1500 OD1 ASP A 107 20.058 -0.539 -1.691 1.00 2.55 O ATOM 1501 OD2 ASP A 107 20.387 -1.649 -3.560 1.00 2.43 O ATOM 0 H ASP A 107 16.453 -0.020 -1.539 1.00 0.74 H new ATOM 0 HA ASP A 107 17.415 -1.162 -4.052 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.189 -2.216 -1.295 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.440 -3.083 -2.796 1.00 1.22 H new ATOM 1506 N THR A 108 15.336 -2.171 -1.689 1.00 0.74 N ATOM 1507 CA THR A 108 14.114 -2.934 -1.456 1.00 0.63 C ATOM 1508 C THR A 108 13.140 -2.171 -0.561 1.00 0.59 C ATOM 1509 O THR A 108 13.497 -1.738 0.534 1.00 0.77 O ATOM 1510 CB THR A 108 14.423 -4.299 -0.812 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.421 -4.986 -1.574 1.00 1.39 O ATOM 1512 CG2 THR A 108 13.168 -5.155 -0.729 1.00 1.53 C ATOM 0 H THR A 108 15.680 -1.665 -0.873 1.00 0.74 H new ATOM 0 HA THR A 108 13.652 -3.092 -2.431 1.00 0.63 H new ATOM 0 HB THR A 108 14.793 -4.122 0.198 1.00 0.75 H new ATOM 0 HG1 THR A 108 15.613 -5.852 -1.157 1.00 1.39 H new ATOM 0 HG21 THR A 108 13.411 -6.114 -0.271 1.00 1.53 H new ATOM 0 HG22 THR A 108 12.418 -4.644 -0.125 1.00 1.53 H new ATOM 0 HG23 THR A 108 12.774 -5.321 -1.732 1.00 1.53 H new ATOM 1517 N ILE A 109 11.908 -2.018 -1.033 1.00 0.45 N ATOM 1518 CA ILE A 109 10.879 -1.310 -0.277 1.00 0.44 C ATOM 1519 C ILE A 109 9.922 -2.297 0.382 1.00 0.37 C ATOM 1520 O ILE A 109 9.277 -3.101 -0.292 1.00 0.36 O ATOM 1521 CB ILE A 109 10.089 -0.339 -1.186 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.926 0.906 -1.500 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.768 0.060 -0.539 1.00 0.70 C ATOM 1524 CD1 ILE A 109 12.173 0.622 -2.310 1.00 1.54 C ATOM 0 H ILE A 109 11.596 -2.375 -1.936 1.00 0.45 H new ATOM 0 HA ILE A 109 11.378 -0.729 0.498 1.00 0.44 H new ATOM 0 HB ILE A 109 9.869 -0.856 -2.120 1.00 0.51 H new ATOM 0 HG12 ILE A 109 10.307 1.620 -2.044 1.00 0.72 H new ATOM 0 HG13 ILE A 109 11.214 1.383 -0.563 1.00 0.72 H new ATOM 0 HG21 ILE A 109 8.232 0.743 -1.198 1.00 0.70 H new ATOM 0 HG22 ILE A 109 8.163 -0.830 -0.369 1.00 0.70 H new ATOM 0 HG23 ILE A 109 8.964 0.553 0.413 1.00 0.70 H new ATOM 0 HD11 ILE A 109 12.710 1.553 -2.490 1.00 1.54 H new ATOM 0 HD12 ILE A 109 12.815 -0.066 -1.760 1.00 1.54 H new ATOM 0 HD13 ILE A 109 11.893 0.174 -3.264 1.00 1.54 H new ATOM 1528 N THR A 110 9.836 -2.231 1.709 1.00 0.37 N ATOM 1529 CA THR A 110 8.969 -3.125 2.472 1.00 0.34 C ATOM 1530 C THR A 110 7.860 -2.358 3.189 1.00 0.32 C ATOM 1531 O THR A 110 8.093 -1.274 3.723 1.00 0.37 O ATOM 1532 CB THR A 110 9.775 -3.914 3.517 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.915 -4.525 2.903 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.914 -4.982 4.170 1.00 0.41 C ATOM 0 H THR A 110 10.358 -1.565 2.279 1.00 0.37 H new ATOM 0 HA THR A 110 8.521 -3.813 1.755 1.00 0.34 H new ATOM 0 HB THR A 110 10.108 -3.216 4.285 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.422 -5.023 3.578 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.506 -5.527 4.905 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.064 -4.512 4.664 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.554 -5.674 3.409 1.00 0.41 H new ATOM 1539 N ASN A 111 6.653 -2.922 3.197 1.00 0.31 N ATOM 1540 CA ASN A 111 5.522 -2.285 3.871 1.00 0.33 C ATOM 1541 C ASN A 111 4.904 -3.228 4.902 1.00 0.31 C ATOM 1542 O ASN A 111 4.810 -4.432 4.674 1.00 0.32 O ATOM 1543 CB ASN A 111 4.464 -1.847 2.856 1.00 0.39 C ATOM 1544 CG ASN A 111 3.259 -1.195 3.511 1.00 1.15 C ATOM 1545 OD1 ASN A 111 3.483 -0.516 4.630 1.00 1.89 O flip ATOM 1546 ND2 ASN A 111 2.138 -1.300 3.012 1.00 1.95 N flip ATOM 0 H ASN A 111 6.434 -3.811 2.748 1.00 0.31 H new ATOM 0 HA ASN A 111 5.894 -1.401 4.389 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.911 -1.148 2.150 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.136 -2.714 2.282 1.00 0.39 H new ATOM 0 HD21 ASN A 111 2.011 -1.831 2.151 1.00 1.95 H new ATOM 0 HD22 ASN A 111 1.337 -0.856 3.460 1.00 1.95 H new ATOM 1551 N THR A 112 4.487 -2.670 6.038 1.00 0.31 N ATOM 1552 CA THR A 112 3.885 -3.465 7.107 1.00 0.30 C ATOM 1553 C THR A 112 2.442 -3.048 7.377 1.00 0.30 C ATOM 1554 O THR A 112 2.167 -1.886 7.665 1.00 0.32 O ATOM 1555 CB THR A 112 4.678 -3.333 8.422 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.083 -3.414 8.159 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.280 -4.426 9.403 1.00 0.57 C ATOM 0 H THR A 112 4.555 -1.673 6.241 1.00 0.31 H new ATOM 0 HA THR A 112 3.907 -4.500 6.764 1.00 0.30 H new ATOM 0 HB THR A 112 4.447 -2.364 8.864 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.394 -2.566 7.778 1.00 0.47 H new ATOM 0 HG21 THR A 112 4.852 -4.314 10.324 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.216 -4.346 9.625 1.00 0.57 H new ATOM 0 HG23 THR A 112 4.487 -5.402 8.964 1.00 0.57 H new ATOM 1562 N MET A 113 1.528 -4.006 7.277 1.00 0.31 N ATOM 1563 CA MET A 113 0.114 -3.750 7.533 1.00 0.33 C ATOM 1564 C MET A 113 -0.407 -4.707 8.599 1.00 0.33 C ATOM 1565 O MET A 113 -0.357 -5.924 8.422 1.00 0.35 O ATOM 1566 CB MET A 113 -0.699 -3.903 6.246 1.00 0.36 C ATOM 1567 CG MET A 113 -0.278 -2.944 5.145 1.00 0.45 C ATOM 1568 SD MET A 113 -1.292 -3.100 3.662 1.00 0.55 S ATOM 1569 CE MET A 113 -2.880 -2.539 4.273 1.00 1.51 C ATOM 0 H MET A 113 1.741 -4.970 7.020 1.00 0.31 H new ATOM 0 HA MET A 113 0.006 -2.727 7.892 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.601 -4.926 5.883 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.754 -3.745 6.471 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.340 -1.921 5.516 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.765 -3.128 4.888 1.00 0.45 H new ATOM 0 HE1 MET A 113 -3.514 -2.256 3.433 1.00 1.51 H new ATOM 0 HE2 MET A 113 -3.358 -3.342 4.834 1.00 1.51 H new ATOM 0 HE3 MET A 113 -2.735 -1.677 4.925 1.00 1.51 H new ATOM 1579 N THR A 114 -0.910 -4.162 9.704 1.00 0.34 N ATOM 1580 CA THR A 114 -1.421 -4.995 10.788 1.00 0.35 C ATOM 1581 C THR A 114 -2.929 -4.839 10.961 1.00 0.39 C ATOM 1582 O THR A 114 -3.427 -3.740 11.199 1.00 0.43 O ATOM 1583 CB THR A 114 -0.731 -4.661 12.124 1.00 0.42 C ATOM 1584 OG1 THR A 114 0.691 -4.746 11.975 1.00 0.54 O ATOM 1585 CG2 THR A 114 -1.185 -5.611 13.222 1.00 0.56 C ATOM 0 H THR A 114 -0.974 -3.158 9.871 1.00 0.34 H new ATOM 0 HA THR A 114 -1.201 -6.026 10.512 1.00 0.35 H new ATOM 0 HB THR A 114 -1.009 -3.645 12.405 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.123 -4.531 12.828 1.00 0.54 H new ATOM 0 HG21 THR A 114 -0.684 -5.355 14.155 1.00 0.56 H new ATOM 0 HG22 THR A 114 -2.264 -5.526 13.354 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.933 -6.635 12.944 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.648 -5.952 10.840 1.00 0.42 N ATOM 1591 CA LEU A 115 -5.097 -5.953 10.995 1.00 0.50 C ATOM 1592 C LEU A 115 -5.553 -7.248 11.658 1.00 0.60 C ATOM 1593 O LEU A 115 -5.396 -8.329 11.094 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.778 -5.774 9.630 1.00 0.56 C ATOM 1595 CG LEU A 115 -7.311 -5.653 9.645 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -7.965 -7.023 9.736 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -7.779 -4.763 10.789 1.00 1.85 C ATOM 0 H LEU A 115 -3.247 -6.867 10.634 1.00 0.42 H new ATOM 0 HA LEU A 115 -5.384 -5.118 11.634 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -5.369 -4.881 9.158 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.508 -6.621 8.999 1.00 0.56 H new ATOM 0 HG LEU A 115 -7.615 -5.190 8.706 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -9.049 -6.909 9.745 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.671 -7.625 8.876 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -7.645 -7.519 10.652 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -8.867 -4.695 10.776 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -7.454 -5.189 11.738 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -7.352 -3.767 10.673 1.00 1.85 H new ATOM 1603 N GLY A 116 -6.120 -7.133 12.854 1.00 0.69 N ATOM 1604 CA GLY A 116 -6.582 -8.310 13.567 1.00 0.84 C ATOM 1605 C GLY A 116 -5.442 -9.238 13.946 1.00 0.93 C ATOM 1606 O GLY A 116 -5.548 -10.455 13.786 1.00 1.80 O ATOM 0 H GLY A 116 -6.268 -6.249 13.341 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -7.112 -8.002 14.468 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -7.297 -8.851 12.947 1.00 0.84 H new ATOM 1610 N ASP A 117 -4.350 -8.655 14.441 1.00 0.53 N ATOM 1611 CA ASP A 117 -3.172 -9.419 14.853 1.00 0.54 C ATOM 1612 C ASP A 117 -2.476 -10.070 13.658 1.00 0.50 C ATOM 1613 O ASP A 117 -1.501 -10.801 13.823 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.553 -10.488 15.881 1.00 0.61 C ATOM 1615 CG ASP A 117 -4.170 -9.895 17.134 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -5.403 -9.704 17.154 1.00 2.14 O ATOM 1617 OD2 ASP A 117 -3.419 -9.625 18.094 1.00 2.23 O ATOM 0 H ASP A 117 -4.257 -7.647 14.567 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.474 -8.717 15.310 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -4.257 -11.187 15.429 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -2.665 -11.059 16.152 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.980 -9.803 12.457 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.398 -10.360 11.242 1.00 0.45 C ATOM 1624 C ILE A 118 -1.303 -9.459 10.690 1.00 0.38 C ATOM 1625 O ILE A 118 -1.448 -8.237 10.663 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.458 -10.565 10.146 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.711 -11.201 10.742 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.898 -11.424 9.021 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.865 -11.286 9.774 1.00 0.83 C ATOM 0 H ILE A 118 -3.791 -9.204 12.300 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.975 -11.325 11.519 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.728 -9.595 9.730 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.467 -12.204 11.093 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -5.021 -10.625 11.614 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.660 -11.560 8.253 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -2.028 -10.932 8.586 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.604 -12.396 9.417 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.720 -11.749 10.267 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -6.136 -10.284 9.442 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.574 -11.887 8.913 1.00 0.83 H new ATOM 1633 N VAL A 119 -0.209 -10.069 10.252 1.00 0.40 N ATOM 1634 CA VAL A 119 0.906 -9.316 9.695 1.00 0.36 C ATOM 1635 C VAL A 119 0.994 -9.493 8.188 1.00 0.35 C ATOM 1636 O VAL A 119 1.217 -10.595 7.688 1.00 0.38 O ATOM 1637 CB VAL A 119 2.245 -9.735 10.333 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.399 -8.948 9.728 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.197 -9.548 11.843 1.00 1.31 C ATOM 0 H VAL A 119 -0.071 -11.079 10.272 1.00 0.40 H new ATOM 0 HA VAL A 119 0.719 -8.266 9.921 1.00 0.36 H new ATOM 0 HB VAL A 119 2.410 -10.792 10.124 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.335 -9.259 10.192 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.446 -9.137 8.656 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.244 -7.883 9.902 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.150 -9.849 12.277 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.007 -8.500 12.074 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.399 -10.162 12.260 1.00 1.31 H new ATOM 1643 N TYR A 120 0.816 -8.390 7.471 1.00 0.38 N ATOM 1644 CA TYR A 120 0.893 -8.397 6.020 1.00 0.38 C ATOM 1645 C TYR A 120 2.109 -7.583 5.587 1.00 0.37 C ATOM 1646 O TYR A 120 2.192 -6.387 5.864 1.00 0.41 O ATOM 1647 CB TYR A 120 -0.396 -7.815 5.425 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.554 -8.042 3.939 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.006 -7.166 3.017 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -1.265 -9.134 3.457 1.00 0.77 C ATOM 1651 CE1 TYR A 120 -0.137 -7.374 1.658 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -1.413 -9.349 2.099 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.847 -8.466 1.204 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.990 -8.675 -0.148 1.00 1.67 O ATOM 0 H TYR A 120 0.616 -7.475 7.876 1.00 0.38 H new ATOM 0 HA TYR A 120 1.000 -9.419 5.656 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -1.250 -8.254 5.940 1.00 0.43 H new ATOM 0 HB3 TYR A 120 -0.421 -6.743 5.621 1.00 0.43 H new ATOM 0 HD1 TYR A 120 0.562 -6.309 3.368 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.710 -9.827 4.155 1.00 0.77 H new ATOM 0 HE1 TYR A 120 0.305 -6.684 0.954 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -1.969 -10.203 1.742 1.00 1.08 H new ATOM 0 HH TYR A 120 -1.516 -9.488 -0.300 1.00 1.67 H new ATOM 1664 N LYS A 121 3.046 -8.232 4.910 1.00 0.35 N ATOM 1665 CA LYS A 121 4.265 -7.566 4.470 1.00 0.36 C ATOM 1666 C LYS A 121 4.512 -7.777 2.979 1.00 0.35 C ATOM 1667 O LYS A 121 4.489 -8.907 2.493 1.00 0.36 O ATOM 1668 CB LYS A 121 5.458 -8.090 5.273 1.00 0.39 C ATOM 1669 CG LYS A 121 6.762 -7.375 4.969 1.00 0.91 C ATOM 1670 CD LYS A 121 7.943 -8.030 5.673 1.00 1.08 C ATOM 1671 CE LYS A 121 7.831 -7.916 7.185 1.00 1.35 C ATOM 1672 NZ LYS A 121 7.699 -6.501 7.626 1.00 2.05 N ATOM 0 H LYS A 121 2.986 -9.217 4.654 1.00 0.35 H new ATOM 0 HA LYS A 121 4.146 -6.496 4.642 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.240 -7.992 6.336 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.582 -9.154 5.070 1.00 0.39 H new ATOM 0 HG2 LYS A 121 6.935 -7.375 3.893 1.00 0.91 H new ATOM 0 HG3 LYS A 121 6.686 -6.333 5.279 1.00 0.91 H new ATOM 0 HD2 LYS A 121 7.997 -9.081 5.391 1.00 1.08 H new ATOM 0 HD3 LYS A 121 8.870 -7.562 5.341 1.00 1.08 H new ATOM 0 HE2 LYS A 121 6.968 -8.486 7.529 1.00 1.35 H new ATOM 0 HE3 LYS A 121 8.712 -8.360 7.649 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 7.896 -6.435 8.645 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 8.377 -5.910 7.103 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 6.732 -6.168 7.438 1.00 2.05 H new ATOM 1686 N ARG A 122 4.758 -6.684 2.260 1.00 0.35 N ATOM 1687 CA ARG A 122 5.019 -6.763 0.828 1.00 0.36 C ATOM 1688 C ARG A 122 6.491 -6.506 0.527 1.00 0.34 C ATOM 1689 O ARG A 122 7.090 -5.565 1.052 1.00 0.36 O ATOM 1690 CB ARG A 122 4.142 -5.772 0.056 1.00 0.39 C ATOM 1691 CG ARG A 122 4.411 -4.319 0.405 1.00 0.73 C ATOM 1692 CD ARG A 122 3.708 -3.374 -0.557 1.00 0.64 C ATOM 1693 NE ARG A 122 2.264 -3.595 -0.585 1.00 1.23 N ATOM 1694 CZ ARG A 122 1.422 -2.879 -1.326 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.876 -1.897 -2.094 1.00 1.14 N ATOM 1696 NH2 ARG A 122 0.121 -3.145 -1.300 1.00 2.32 N ATOM 0 H ARG A 122 4.782 -5.739 2.644 1.00 0.35 H new ATOM 0 HA ARG A 122 4.770 -7.773 0.502 1.00 0.36 H new ATOM 0 HB2 ARG A 122 4.301 -5.915 -1.013 1.00 0.39 H new ATOM 0 HB3 ARG A 122 3.094 -5.996 0.255 1.00 0.39 H new ATOM 0 HG2 ARG A 122 4.075 -4.120 1.423 1.00 0.73 H new ATOM 0 HG3 ARG A 122 5.484 -4.131 0.382 1.00 0.73 H new ATOM 0 HD2 ARG A 122 3.911 -2.343 -0.266 1.00 0.64 H new ATOM 0 HD3 ARG A 122 4.115 -3.508 -1.559 1.00 0.64 H new ATOM 0 HE ARG A 122 1.880 -4.340 -0.004 1.00 1.23 H new ATOM 0 HH11 ARG A 122 2.874 -1.688 -2.118 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.227 -1.351 -2.660 1.00 1.14 H new ATOM 0 HH21 ARG A 122 -0.234 -3.899 -0.712 1.00 2.32 H new ATOM 0 HH22 ARG A 122 -0.523 -2.595 -1.868 1.00 2.32 H new ATOM 1710 N VAL A 123 7.063 -7.356 -0.319 1.00 0.32 N ATOM 1711 CA VAL A 123 8.464 -7.236 -0.706 1.00 0.32 C ATOM 1712 C VAL A 123 8.586 -6.863 -2.178 1.00 0.30 C ATOM 1713 O VAL A 123 8.127 -7.600 -3.051 1.00 0.33 O ATOM 1714 CB VAL A 123 9.228 -8.552 -0.458 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.703 -8.390 -0.796 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.050 -9.009 0.982 1.00 0.40 C ATOM 0 H VAL A 123 6.575 -8.140 -0.752 1.00 0.32 H new ATOM 0 HA VAL A 123 8.902 -6.450 -0.091 1.00 0.32 H new ATOM 0 HB VAL A 123 8.814 -9.318 -1.113 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.223 -9.330 -0.614 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.808 -8.115 -1.845 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.136 -7.609 -0.171 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.596 -9.939 1.139 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.435 -8.244 1.657 1.00 0.40 H new ATOM 0 HG23 VAL A 123 7.991 -9.171 1.184 1.00 0.40 H new ATOM 1720 N SER A 124 9.207 -5.721 -2.449 1.00 0.30 N ATOM 1721 CA SER A 124 9.379 -5.260 -3.822 1.00 0.31 C ATOM 1722 C SER A 124 10.820 -4.835 -4.086 1.00 0.32 C ATOM 1723 O SER A 124 11.465 -4.230 -3.230 1.00 0.36 O ATOM 1724 CB SER A 124 8.427 -4.098 -4.112 1.00 0.35 C ATOM 1725 OG SER A 124 8.675 -3.005 -3.246 1.00 1.14 O ATOM 0 H SER A 124 9.598 -5.100 -1.741 1.00 0.30 H new ATOM 0 HA SER A 124 9.144 -6.090 -4.488 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.543 -3.779 -5.148 1.00 0.35 H new ATOM 0 HB3 SER A 124 7.396 -4.431 -3.995 1.00 0.35 H new ATOM 0 HG SER A 124 8.696 -3.321 -2.319 1.00 1.14 H new ATOM 1731 N LYS A 125 11.317 -5.151 -5.281 1.00 0.35 N ATOM 1732 CA LYS A 125 12.680 -4.799 -5.659 1.00 0.39 C ATOM 1733 C LYS A 125 12.683 -3.637 -6.649 1.00 0.35 C ATOM 1734 O LYS A 125 11.757 -3.486 -7.446 1.00 0.38 O ATOM 1735 CB LYS A 125 13.393 -6.011 -6.265 1.00 0.52 C ATOM 1736 CG LYS A 125 12.880 -6.408 -7.629 1.00 0.88 C ATOM 1737 CD LYS A 125 13.766 -7.458 -8.284 1.00 1.37 C ATOM 1738 CE LYS A 125 15.167 -6.931 -8.554 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.160 -5.811 -9.534 1.00 2.04 N ATOM 0 H LYS A 125 10.795 -5.650 -6.002 1.00 0.35 H new ATOM 0 HA LYS A 125 13.215 -4.488 -4.761 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.459 -5.793 -6.338 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.287 -6.858 -5.588 1.00 0.52 H new ATOM 0 HG2 LYS A 125 11.865 -6.795 -7.537 1.00 0.88 H new ATOM 0 HG3 LYS A 125 12.828 -5.527 -8.268 1.00 0.88 H new ATOM 0 HD2 LYS A 125 13.826 -8.335 -7.640 1.00 1.37 H new ATOM 0 HD3 LYS A 125 13.313 -7.781 -9.221 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.614 -6.592 -7.619 1.00 1.37 H new ATOM 0 HE3 LYS A 125 15.792 -7.740 -8.932 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.136 -5.503 -9.716 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 14.726 -6.131 -10.423 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 14.612 -5.015 -9.148 1.00 2.04 H new ATOM 1753 N ARG A 126 13.730 -2.821 -6.591 1.00 0.37 N ATOM 1754 CA ARG A 126 13.850 -1.666 -7.476 1.00 0.40 C ATOM 1755 C ARG A 126 14.458 -2.061 -8.818 1.00 0.44 C ATOM 1756 O ARG A 126 15.532 -2.661 -8.874 1.00 0.52 O ATOM 1757 CB ARG A 126 14.702 -0.582 -6.812 1.00 0.51 C ATOM 1758 CG ARG A 126 14.950 0.627 -7.700 1.00 0.63 C ATOM 1759 CD ARG A 126 15.764 1.690 -6.980 1.00 1.14 C ATOM 1760 NE ARG A 126 16.137 2.787 -7.869 1.00 1.70 N ATOM 1761 CZ ARG A 126 16.780 3.879 -7.464 1.00 2.27 C ATOM 1762 NH1 ARG A 126 17.116 4.022 -6.189 1.00 2.51 N ATOM 1763 NH2 ARG A 126 17.086 4.828 -8.337 1.00 3.09 N ATOM 0 H ARG A 126 14.508 -2.937 -5.941 1.00 0.37 H new ATOM 0 HA ARG A 126 12.849 -1.274 -7.660 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.209 -0.255 -5.896 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.661 -1.012 -6.522 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.475 0.315 -8.603 1.00 0.63 H new ATOM 0 HG3 ARG A 126 13.996 1.050 -8.016 1.00 0.63 H new ATOM 0 HD2 ARG A 126 15.188 2.082 -6.142 1.00 1.14 H new ATOM 0 HD3 ARG A 126 16.664 1.238 -6.564 1.00 1.14 H new ATOM 0 HE ARG A 126 15.891 2.712 -8.856 1.00 1.70 H new ATOM 0 HH11 ARG A 126 16.881 3.293 -5.515 1.00 2.51 H new ATOM 0 HH12 ARG A 126 17.609 4.861 -5.882 1.00 2.51 H new ATOM 0 HH21 ARG A 126 16.829 4.721 -9.318 1.00 3.09 H new ATOM 0 HH22 ARG A 126 17.579 5.666 -8.028 1.00 3.09 H new ATOM 1777 N ILE A 127 13.763 -1.713 -9.899 1.00 0.48 N ATOM 1778 CA ILE A 127 14.232 -2.025 -11.245 1.00 0.58 C ATOM 1779 C ILE A 127 14.516 -0.752 -12.036 1.00 0.75 C ATOM 1780 O ILE A 127 15.356 -0.742 -12.935 1.00 1.31 O ATOM 1781 CB ILE A 127 13.206 -2.875 -12.017 1.00 0.76 C ATOM 1782 CG1 ILE A 127 11.819 -2.232 -11.940 1.00 0.82 C ATOM 1783 CG2 ILE A 127 13.175 -4.294 -11.467 1.00 1.23 C ATOM 1784 CD1 ILE A 127 10.788 -2.900 -12.824 1.00 1.21 C ATOM 0 H ILE A 127 12.873 -1.215 -9.868 1.00 0.48 H new ATOM 0 HA ILE A 127 15.154 -2.596 -11.133 1.00 0.58 H new ATOM 0 HB ILE A 127 13.504 -2.921 -13.064 1.00 0.76 H new ATOM 0 HG12 ILE A 127 11.472 -2.261 -10.907 1.00 0.82 H new ATOM 0 HG13 ILE A 127 11.899 -1.182 -12.220 1.00 0.82 H new ATOM 0 HG21 ILE A 127 12.445 -4.884 -12.022 1.00 1.23 H new ATOM 0 HG22 ILE A 127 14.161 -4.746 -11.571 1.00 1.23 H new ATOM 0 HG23 ILE A 127 12.896 -4.270 -10.414 1.00 1.23 H new ATOM 0 HD11 ILE A 127 9.831 -2.390 -12.716 1.00 1.21 H new ATOM 0 HD12 ILE A 127 11.112 -2.848 -13.864 1.00 1.21 H new ATOM 0 HD13 ILE A 127 10.678 -3.944 -12.530 1.00 1.21 H new