USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=39 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 102 THR OG1 : rot 180:sc= 0.213 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= -0.864 F(o=-2.4!,f=-0.65) USER MOD Set 1.3: A 113 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 THR OG1 : rot -75:sc= 1.69 USER MOD Set 2.2: A 75 THR OG1 : rot -45:sc= 0.507 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -112:sc= 0.594 (180deg=-0.454) USER MOD Set 3.2: A 64 THR OG1 : rot 150:sc= 0.556 USER MOD Set 4.1: A 39 SER OG : rot 38:sc= 0.0946 USER MOD Set 4.2: A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -142:sc= 0.802 USER MOD Single : A 8 GLN : amide:sc= -4.41! C(o=-4.4!,f=-4.2!) USER MOD Single : A 10 GLN :FLIP amide:sc= -1.06 F(o=-3.3!,f=-1.1) USER MOD Single : A 11 SER OG : rot 180:sc= -0.191 USER MOD Single : A 12 GLN :FLIP amide:sc= -4.76! C(o=-12!,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= 0.462 K(o=0.46,f=-1.1) USER MOD Single : A 19 MET CE :methyl -170:sc= -2.83 (180deg=-3.48) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.0425 (180deg=-0.4) USER MOD Single : A 30 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.63) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.103 (180deg=0.0367) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.061) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0503 (180deg=-0.541) 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 -40:sc= 0.873 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.022) USER MOD Single : A 61 ASN : amide:sc= -0.79 K(o=-0.79,f=-1.5) USER MOD Single : A 69 CYS SG : rot -139:sc= -1.26! USER MOD Single : A 74 MET CE :methyl 157:sc= -0.187 (180deg=-0.879) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= 1.19 (180deg=-0.319) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= -0.545 (180deg=-1.49) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 157:sc= -0.238 (180deg=-0.845) 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+ 159:sc= -0.105 (180deg=-0.526) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 14:sc= -0.394! USER MOD Single : A 105 ASN :FLIP amide:sc= -0.255 F(o=-3.8!,f=-0.25) 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 112 THR OG1 : rot 76:sc= 0.351 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 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 149:sc= 0.93 (180deg=0.239) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 11.435 8.902 -5.754 1.00 0.64 N ATOM 53 CA SER A 4 10.699 8.404 -6.912 1.00 0.56 C ATOM 54 C SER A 4 11.336 7.128 -7.454 1.00 0.52 C ATOM 55 O SER A 4 12.557 7.035 -7.576 1.00 0.75 O ATOM 56 CB SER A 4 10.652 9.467 -8.012 1.00 0.69 C ATOM 57 OG SER A 4 9.977 8.983 -9.161 1.00 1.53 O ATOM 0 HA SER A 4 9.682 8.176 -6.592 1.00 0.56 H new ATOM 0 HB2 SER A 4 10.148 10.359 -7.639 1.00 0.69 H new ATOM 0 HB3 SER A 4 11.666 9.763 -8.280 1.00 0.69 H new ATOM 0 HG SER A 4 9.959 9.681 -9.848 1.00 1.53 H new ATOM 63 N GLY A 5 10.500 6.146 -7.775 1.00 0.43 N ATOM 64 CA GLY A 5 10.998 4.888 -8.300 1.00 0.45 C ATOM 65 C GLY A 5 9.952 3.792 -8.279 1.00 0.40 C ATOM 66 O GLY A 5 9.122 3.732 -7.370 1.00 0.54 O ATOM 0 H GLY A 5 9.486 6.199 -7.681 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.342 5.037 -9.323 1.00 0.45 H new ATOM 0 HA3 GLY A 5 11.862 4.572 -7.716 1.00 0.45 H new ATOM 70 N LYS A 6 9.989 2.924 -9.284 1.00 0.36 N ATOM 71 CA LYS A 6 9.037 1.822 -9.381 1.00 0.35 C ATOM 72 C LYS A 6 9.607 0.549 -8.760 1.00 0.30 C ATOM 73 O LYS A 6 10.785 0.233 -8.931 1.00 0.36 O ATOM 74 CB LYS A 6 8.659 1.574 -10.841 1.00 0.47 C ATOM 75 CG LYS A 6 9.852 1.425 -11.770 1.00 1.02 C ATOM 76 CD LYS A 6 9.418 1.047 -13.175 1.00 1.43 C ATOM 77 CE LYS A 6 10.608 0.925 -14.113 1.00 1.75 C ATOM 78 NZ LYS A 6 10.191 0.566 -15.496 1.00 2.38 N ATOM 0 H LYS A 6 10.668 2.962 -10.044 1.00 0.36 H new ATOM 0 HA LYS A 6 8.141 2.099 -8.826 1.00 0.35 H new ATOM 0 HB2 LYS A 6 8.050 0.672 -10.900 1.00 0.47 H new ATOM 0 HB3 LYS A 6 8.040 2.400 -11.191 1.00 0.47 H new ATOM 0 HG2 LYS A 6 10.411 2.360 -11.800 1.00 1.02 H new ATOM 0 HG3 LYS A 6 10.526 0.663 -11.379 1.00 1.02 H new ATOM 0 HD2 LYS A 6 8.877 0.101 -13.147 1.00 1.43 H new ATOM 0 HD3 LYS A 6 8.727 1.798 -13.558 1.00 1.43 H new ATOM 0 HE2 LYS A 6 11.153 1.869 -14.132 1.00 1.75 H new ATOM 0 HE3 LYS A 6 11.294 0.168 -13.733 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 11.032 0.493 -16.104 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 9.693 -0.347 -15.482 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 9.557 1.301 -15.869 1.00 2.38 H new ATOM 92 N TYR A 7 8.757 -0.175 -8.038 1.00 0.30 N ATOM 93 CA TYR A 7 9.158 -1.412 -7.377 1.00 0.29 C ATOM 94 C TYR A 7 8.199 -2.547 -7.735 1.00 0.30 C ATOM 95 O TYR A 7 7.020 -2.311 -7.997 1.00 0.42 O ATOM 96 CB TYR A 7 9.193 -1.207 -5.860 1.00 0.34 C ATOM 97 CG TYR A 7 9.710 0.154 -5.447 1.00 0.49 C ATOM 98 CD1 TYR A 7 10.988 0.570 -5.801 1.00 0.70 C ATOM 99 CD2 TYR A 7 8.918 1.026 -4.710 1.00 0.77 C ATOM 100 CE1 TYR A 7 11.463 1.814 -5.431 1.00 0.89 C ATOM 101 CE2 TYR A 7 9.384 2.271 -4.338 1.00 0.93 C ATOM 102 CZ TYR A 7 10.656 2.661 -4.699 1.00 0.91 C ATOM 103 OH TYR A 7 11.125 3.900 -4.329 1.00 1.13 O ATOM 0 H TYR A 7 7.779 0.077 -7.895 1.00 0.30 H new ATOM 0 HA TYR A 7 10.156 -1.684 -7.721 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.188 -1.342 -5.460 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.821 -1.977 -5.412 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.621 -0.090 -6.375 1.00 0.70 H new ATOM 0 HD2 TYR A 7 7.921 0.725 -4.423 1.00 0.77 H new ATOM 0 HE1 TYR A 7 12.459 2.121 -5.713 1.00 0.89 H new ATOM 0 HE2 TYR A 7 8.755 2.937 -3.766 1.00 0.93 H new ATOM 0 HH TYR A 7 10.813 4.111 -3.424 1.00 1.13 H new ATOM 113 N GLN A 8 8.707 -3.777 -7.748 1.00 0.31 N ATOM 114 CA GLN A 8 7.889 -4.940 -8.089 1.00 0.35 C ATOM 115 C GLN A 8 7.799 -5.925 -6.926 1.00 0.35 C ATOM 116 O GLN A 8 8.817 -6.403 -6.425 1.00 0.38 O ATOM 117 CB GLN A 8 8.467 -5.642 -9.321 1.00 0.44 C ATOM 118 CG GLN A 8 7.663 -6.852 -9.778 1.00 0.41 C ATOM 119 CD GLN A 8 6.490 -6.483 -10.670 1.00 0.92 C ATOM 120 OE1 GLN A 8 6.093 -7.259 -11.539 1.00 1.39 O ATOM 121 NE2 GLN A 8 5.928 -5.297 -10.465 1.00 1.23 N ATOM 0 H GLN A 8 9.679 -3.995 -7.527 1.00 0.31 H new ATOM 0 HA GLN A 8 6.881 -4.586 -8.308 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.525 -4.926 -10.141 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.487 -5.958 -9.101 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.320 -7.536 -10.315 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.293 -7.387 -8.903 1.00 0.41 H new ATOM 0 HE21 GLN A 8 6.286 -4.682 -9.734 1.00 1.23 H new ATOM 0 HE22 GLN A 8 5.138 -5.001 -11.038 1.00 1.23 H new ATOM 128 N VAL A 9 6.571 -6.232 -6.507 1.00 0.40 N ATOM 129 CA VAL A 9 6.349 -7.172 -5.415 1.00 0.45 C ATOM 130 C VAL A 9 6.667 -8.594 -5.866 1.00 0.52 C ATOM 131 O VAL A 9 6.246 -9.018 -6.943 1.00 0.67 O ATOM 132 CB VAL A 9 4.894 -7.120 -4.906 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.706 -8.057 -3.722 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.508 -5.697 -4.533 1.00 1.24 C ATOM 0 H VAL A 9 5.718 -5.843 -6.908 1.00 0.40 H new ATOM 0 HA VAL A 9 7.013 -6.883 -4.600 1.00 0.45 H new ATOM 0 HB VAL A 9 4.237 -7.452 -5.710 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.673 -8.006 -3.378 1.00 1.18 H new ATOM 0 HG12 VAL A 9 4.937 -9.078 -4.026 1.00 1.18 H new ATOM 0 HG13 VAL A 9 5.373 -7.760 -2.913 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.478 -5.681 -4.176 1.00 1.24 H new ATOM 0 HG22 VAL A 9 5.170 -5.335 -3.747 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.599 -5.054 -5.408 1.00 1.24 H new ATOM 138 N GLN A 10 7.407 -9.328 -5.043 1.00 0.50 N ATOM 139 CA GLN A 10 7.784 -10.694 -5.372 1.00 0.61 C ATOM 140 C GLN A 10 7.004 -11.714 -4.548 1.00 0.72 C ATOM 141 O GLN A 10 6.626 -12.770 -5.055 1.00 1.01 O ATOM 142 CB GLN A 10 9.282 -10.887 -5.148 1.00 0.71 C ATOM 143 CG GLN A 10 10.149 -9.954 -5.976 1.00 0.90 C ATOM 144 CD GLN A 10 11.628 -10.253 -5.830 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.455 -9.222 -5.956 1.00 2.20 O flip ATOM 146 NE2 GLN A 10 12.022 -11.396 -5.605 1.00 2.11 N flip ATOM 0 H GLN A 10 7.757 -8.998 -4.143 1.00 0.50 H new ATOM 0 HA GLN A 10 7.542 -10.860 -6.422 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.505 -10.734 -4.092 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.546 -11.918 -5.384 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.867 -10.037 -7.026 1.00 0.90 H new ATOM 0 HG3 GLN A 10 9.959 -8.924 -5.675 1.00 0.90 H new ATOM 0 HE21 GLN A 10 11.351 -12.159 -5.516 1.00 2.11 H new ATOM 0 HE22 GLN A 10 13.020 -11.581 -5.508 1.00 2.11 H new ATOM 153 N SER A 11 6.761 -11.399 -3.278 1.00 0.56 N ATOM 154 CA SER A 11 6.038 -12.313 -2.397 1.00 0.70 C ATOM 155 C SER A 11 5.382 -11.576 -1.234 1.00 0.54 C ATOM 156 O SER A 11 5.668 -10.406 -0.982 1.00 0.54 O ATOM 157 CB SER A 11 6.990 -13.382 -1.859 1.00 0.97 C ATOM 158 OG SER A 11 6.300 -14.325 -1.058 1.00 1.72 O ATOM 0 H SER A 11 7.051 -10.525 -2.839 1.00 0.56 H new ATOM 0 HA SER A 11 5.249 -12.783 -2.984 1.00 0.70 H new ATOM 0 HB2 SER A 11 7.475 -13.893 -2.691 1.00 0.97 H new ATOM 0 HB3 SER A 11 7.778 -12.909 -1.272 1.00 0.97 H new ATOM 0 HG SER A 11 6.931 -14.998 -0.728 1.00 1.72 H new ATOM 164 N GLN A 12 4.498 -12.280 -0.530 1.00 0.56 N ATOM 165 CA GLN A 12 3.792 -11.711 0.614 1.00 0.50 C ATOM 166 C GLN A 12 3.553 -12.783 1.678 1.00 0.46 C ATOM 167 O GLN A 12 3.512 -13.974 1.369 1.00 0.59 O ATOM 168 CB GLN A 12 2.464 -11.100 0.155 1.00 0.70 C ATOM 169 CG GLN A 12 1.962 -9.986 1.058 1.00 0.85 C ATOM 170 CD GLN A 12 1.376 -10.505 2.354 1.00 0.99 C ATOM 171 OE1 GLN A 12 1.604 -9.774 3.440 1.00 2.01 O flip ATOM 172 NE2 GLN A 12 0.738 -11.557 2.381 1.00 0.82 N flip ATOM 0 H GLN A 12 4.254 -13.249 -0.734 1.00 0.56 H new ATOM 0 HA GLN A 12 4.405 -10.925 1.054 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.583 -10.711 -0.856 1.00 0.70 H new ATOM 0 HB3 GLN A 12 1.710 -11.885 0.107 1.00 0.70 H new ATOM 0 HG2 GLN A 12 2.785 -9.307 1.282 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.206 -9.407 0.528 1.00 0.85 H new ATOM 0 HE21 GLN A 12 0.588 -12.085 1.521 1.00 0.82 H new ATOM 0 HE22 GLN A 12 0.359 -11.901 3.263 1.00 0.82 H new ATOM 179 N GLU A 13 3.406 -12.360 2.933 1.00 0.47 N ATOM 180 CA GLU A 13 3.177 -13.296 4.034 1.00 0.52 C ATOM 181 C GLU A 13 1.784 -13.114 4.638 1.00 0.45 C ATOM 182 O GLU A 13 1.338 -11.990 4.858 1.00 0.47 O ATOM 183 CB GLU A 13 4.238 -13.109 5.119 1.00 0.71 C ATOM 184 CG GLU A 13 5.662 -13.275 4.614 1.00 1.16 C ATOM 185 CD GLU A 13 6.682 -13.250 5.735 1.00 1.72 C ATOM 186 OE1 GLU A 13 6.940 -12.158 6.280 1.00 2.39 O ATOM 187 OE2 GLU A 13 7.225 -14.324 6.067 1.00 2.07 O ATOM 0 H GLU A 13 3.441 -11.380 3.212 1.00 0.47 H new ATOM 0 HA GLU A 13 3.246 -14.306 3.630 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.129 -12.115 5.554 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.059 -13.828 5.918 1.00 0.71 H new ATOM 0 HG2 GLU A 13 5.745 -14.218 4.073 1.00 1.16 H new ATOM 0 HG3 GLU A 13 5.887 -12.479 3.904 1.00 1.16 H new ATOM 194 N ASN A 14 1.114 -14.234 4.912 1.00 0.47 N ATOM 195 CA ASN A 14 -0.232 -14.218 5.489 1.00 0.52 C ATOM 196 C ASN A 14 -1.246 -13.632 4.513 1.00 0.56 C ATOM 197 O ASN A 14 -1.123 -12.482 4.089 1.00 0.92 O ATOM 198 CB ASN A 14 -0.253 -13.431 6.804 1.00 0.62 C ATOM 199 CG ASN A 14 0.472 -14.155 7.921 1.00 1.26 C ATOM 200 OD1 ASN A 14 0.518 -15.385 7.953 1.00 1.88 O ATOM 201 ND2 ASN A 14 1.047 -13.394 8.846 1.00 1.78 N ATOM 0 H ASN A 14 1.484 -15.169 4.743 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.512 -15.251 5.694 1.00 0.52 H new ATOM 0 HB2 ASN A 14 0.207 -12.455 6.648 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -1.286 -13.252 7.101 1.00 0.62 H new ATOM 0 HD21 ASN A 14 1.551 -13.826 9.621 1.00 1.78 H new ATOM 0 HD22 ASN A 14 0.985 -12.378 8.781 1.00 1.78 H new ATOM 206 N PHE A 15 -2.253 -14.428 4.162 1.00 0.52 N ATOM 207 CA PHE A 15 -3.286 -13.987 3.233 1.00 0.59 C ATOM 208 C PHE A 15 -4.684 -14.253 3.785 1.00 0.59 C ATOM 209 O PHE A 15 -5.459 -13.324 4.014 1.00 0.66 O ATOM 210 CB PHE A 15 -3.138 -14.700 1.891 1.00 0.73 C ATOM 211 CG PHE A 15 -1.734 -14.739 1.361 1.00 1.40 C ATOM 212 CD1 PHE A 15 -0.880 -15.774 1.705 1.00 2.40 C ATOM 213 CD2 PHE A 15 -1.264 -13.732 0.533 1.00 1.85 C ATOM 214 CE1 PHE A 15 0.416 -15.805 1.228 1.00 3.26 C ATOM 215 CE2 PHE A 15 0.030 -13.758 0.055 1.00 2.66 C ATOM 216 CZ PHE A 15 0.855 -14.822 0.361 1.00 3.24 C ATOM 0 H PHE A 15 -2.374 -15.380 4.507 1.00 0.52 H new ATOM 0 HA PHE A 15 -3.161 -12.913 3.096 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -3.503 -15.722 1.994 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -3.776 -14.206 1.159 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -1.231 -16.564 2.352 1.00 2.40 H new ATOM 0 HD2 PHE A 15 -1.918 -12.918 0.259 1.00 1.85 H new ATOM 0 HE1 PHE A 15 1.085 -16.596 1.532 1.00 3.26 H new ATOM 0 HE2 PHE A 15 0.397 -12.948 -0.557 1.00 2.66 H new ATOM 0 HZ PHE A 15 1.841 -14.886 -0.076 1.00 3.24 H new ATOM 226 N GLU A 16 -4.992 -15.530 4.007 1.00 0.65 N ATOM 227 CA GLU A 16 -6.305 -15.936 4.510 1.00 0.72 C ATOM 228 C GLU A 16 -6.736 -15.102 5.719 1.00 0.62 C ATOM 229 O GLU A 16 -7.869 -14.631 5.771 1.00 0.68 O ATOM 230 CB GLU A 16 -6.305 -17.424 4.875 1.00 0.86 C ATOM 231 CG GLU A 16 -6.055 -18.346 3.693 1.00 1.03 C ATOM 232 CD GLU A 16 -6.068 -19.810 4.087 1.00 1.53 C ATOM 233 OE1 GLU A 16 -7.164 -20.410 4.105 1.00 1.92 O ATOM 234 OE2 GLU A 16 -4.983 -20.356 4.381 1.00 1.96 O ATOM 0 H GLU A 16 -4.348 -16.304 3.846 1.00 0.65 H new ATOM 0 HA GLU A 16 -7.025 -15.762 3.710 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -5.541 -17.603 5.631 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -7.265 -17.678 5.325 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -6.816 -18.171 2.932 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -5.092 -18.102 3.243 1.00 1.03 H new ATOM 241 N PRO A 17 -5.856 -14.911 6.716 1.00 0.54 N ATOM 242 CA PRO A 17 -6.195 -14.117 7.899 1.00 0.52 C ATOM 243 C PRO A 17 -6.605 -12.689 7.538 1.00 0.45 C ATOM 244 O PRO A 17 -7.553 -12.147 8.101 1.00 0.50 O ATOM 245 CB PRO A 17 -4.896 -14.109 8.714 1.00 0.59 C ATOM 246 CG PRO A 17 -4.124 -15.288 8.233 1.00 0.72 C ATOM 247 CD PRO A 17 -4.487 -15.460 6.791 1.00 0.59 C ATOM 0 HA PRO A 17 -7.046 -14.534 8.437 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.340 -13.185 8.559 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.101 -14.182 9.782 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.052 -15.126 8.349 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -4.375 -16.180 8.807 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.801 -14.921 6.137 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -4.457 -16.507 6.491 1.00 0.59 H new ATOM 255 N PHE A 18 -5.893 -12.095 6.582 1.00 0.44 N ATOM 256 CA PHE A 18 -6.166 -10.725 6.146 1.00 0.54 C ATOM 257 C PHE A 18 -7.557 -10.586 5.511 1.00 0.62 C ATOM 258 O PHE A 18 -8.340 -9.724 5.907 1.00 0.68 O ATOM 259 CB PHE A 18 -5.088 -10.265 5.158 1.00 0.65 C ATOM 260 CG PHE A 18 -5.268 -8.851 4.682 1.00 0.90 C ATOM 261 CD1 PHE A 18 -4.859 -7.787 5.467 1.00 1.08 C ATOM 262 CD2 PHE A 18 -5.847 -8.587 3.450 1.00 1.08 C ATOM 263 CE1 PHE A 18 -5.023 -6.484 5.034 1.00 1.36 C ATOM 264 CE2 PHE A 18 -6.014 -7.286 3.011 1.00 1.35 C ATOM 265 CZ PHE A 18 -5.601 -6.233 3.805 1.00 1.46 C ATOM 0 H PHE A 18 -5.119 -12.543 6.092 1.00 0.44 H new ATOM 0 HA PHE A 18 -6.147 -10.090 7.031 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -4.111 -10.358 5.631 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -5.089 -10.932 4.296 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -4.406 -7.977 6.429 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -6.171 -9.407 2.826 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -4.699 -5.663 5.657 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -6.466 -7.093 2.049 1.00 1.35 H new ATOM 0 HZ PHE A 18 -5.730 -5.216 3.465 1.00 1.46 H new ATOM 275 N MET A 19 -7.858 -11.435 4.524 1.00 0.68 N ATOM 276 CA MET A 19 -9.156 -11.392 3.839 1.00 0.83 C ATOM 277 C MET A 19 -10.306 -11.617 4.809 1.00 0.81 C ATOM 278 O MET A 19 -11.362 -10.995 4.686 1.00 0.90 O ATOM 279 CB MET A 19 -9.208 -12.423 2.704 1.00 0.96 C ATOM 280 CG MET A 19 -8.852 -13.838 3.112 1.00 1.91 C ATOM 281 SD MET A 19 -10.305 -14.815 3.541 1.00 3.37 S ATOM 282 CE MET A 19 -9.588 -16.451 3.679 1.00 4.48 C ATOM 0 H MET A 19 -7.225 -12.158 4.182 1.00 0.68 H new ATOM 0 HA MET A 19 -9.266 -10.395 3.411 1.00 0.83 H new ATOM 0 HB2 MET A 19 -10.212 -12.424 2.279 1.00 0.96 H new ATOM 0 HB3 MET A 19 -8.528 -12.106 1.913 1.00 0.96 H new ATOM 0 HG2 MET A 19 -8.318 -14.325 2.296 1.00 1.91 H new ATOM 0 HG3 MET A 19 -8.173 -13.808 3.964 1.00 1.91 H new ATOM 0 HE1 MET A 19 -10.384 -17.191 3.764 1.00 4.48 H new ATOM 0 HE2 MET A 19 -8.989 -16.662 2.793 1.00 4.48 H new ATOM 0 HE3 MET A 19 -8.954 -16.497 4.564 1.00 4.48 H new ATOM 292 N LYS A 20 -10.102 -12.497 5.775 1.00 0.73 N ATOM 293 CA LYS A 20 -11.141 -12.795 6.749 1.00 0.79 C ATOM 294 C LYS A 20 -11.376 -11.618 7.697 1.00 0.72 C ATOM 295 O LYS A 20 -12.519 -11.251 7.971 1.00 0.79 O ATOM 296 CB LYS A 20 -10.757 -14.037 7.549 1.00 0.85 C ATOM 297 CG LYS A 20 -10.714 -15.308 6.720 1.00 1.02 C ATOM 298 CD LYS A 20 -10.614 -16.543 7.600 1.00 1.37 C ATOM 299 CE LYS A 20 -10.429 -17.802 6.769 1.00 1.63 C ATOM 300 NZ LYS A 20 -10.235 -19.006 7.623 1.00 2.27 N ATOM 0 H LYS A 20 -9.233 -13.015 5.906 1.00 0.73 H new ATOM 0 HA LYS A 20 -12.069 -12.979 6.207 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.779 -13.877 8.004 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -11.470 -14.169 8.363 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -11.610 -15.371 6.102 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -9.861 -15.273 6.042 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.777 -16.434 8.289 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.516 -16.634 8.206 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -11.300 -17.947 6.130 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -9.568 -17.680 6.112 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -10.112 -19.844 7.019 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -9.389 -18.879 8.215 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -11.068 -19.137 8.232 1.00 2.27 H new ATOM 314 N ALA A 21 -10.290 -11.033 8.192 1.00 0.64 N ATOM 315 CA ALA A 21 -10.379 -9.898 9.107 1.00 0.64 C ATOM 316 C ALA A 21 -10.803 -8.620 8.388 1.00 0.65 C ATOM 317 O ALA A 21 -11.944 -8.172 8.511 1.00 0.85 O ATOM 318 CB ALA A 21 -9.050 -9.687 9.816 1.00 0.67 C ATOM 0 H ALA A 21 -9.337 -11.326 7.975 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.147 -10.130 9.845 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.131 -8.838 10.495 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.794 -10.582 10.383 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.272 -9.490 9.079 1.00 0.67 H new ATOM 324 N MET A 22 -9.864 -8.041 7.643 1.00 0.66 N ATOM 325 CA MET A 22 -10.099 -6.805 6.899 1.00 0.72 C ATOM 326 C MET A 22 -11.404 -6.851 6.112 1.00 0.74 C ATOM 327 O MET A 22 -12.105 -5.845 6.002 1.00 0.90 O ATOM 328 CB MET A 22 -8.925 -6.544 5.948 1.00 0.75 C ATOM 329 CG MET A 22 -9.213 -5.492 4.887 1.00 0.88 C ATOM 330 SD MET A 22 -9.610 -3.881 5.592 1.00 1.45 S ATOM 331 CE MET A 22 -8.046 -3.446 6.350 1.00 2.05 C ATOM 0 H MET A 22 -8.921 -8.414 7.538 1.00 0.66 H new ATOM 0 HA MET A 22 -10.180 -5.993 7.621 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.060 -6.230 6.532 1.00 0.75 H new ATOM 0 HB3 MET A 22 -8.655 -7.478 5.456 1.00 0.75 H new ATOM 0 HG2 MET A 22 -8.346 -5.394 4.234 1.00 0.88 H new ATOM 0 HG3 MET A 22 -10.044 -5.827 4.266 1.00 0.88 H new ATOM 0 HE1 MET A 22 -8.035 -2.380 6.576 1.00 2.05 H new ATOM 0 HE2 MET A 22 -7.918 -4.014 7.272 1.00 2.05 H new ATOM 0 HE3 MET A 22 -7.232 -3.680 5.664 1.00 2.05 H new ATOM 341 N GLY A 23 -11.730 -8.017 5.567 1.00 0.79 N ATOM 342 CA GLY A 23 -12.946 -8.152 4.789 1.00 0.85 C ATOM 343 C GLY A 23 -12.661 -8.364 3.316 1.00 0.84 C ATOM 344 O GLY A 23 -13.570 -8.315 2.486 1.00 0.97 O ATOM 0 H GLY A 23 -11.175 -8.869 5.650 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.528 -8.992 5.170 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -13.557 -7.258 4.914 1.00 0.85 H new ATOM 348 N LEU A 24 -11.395 -8.603 2.995 1.00 0.77 N ATOM 349 CA LEU A 24 -10.982 -8.843 1.618 1.00 0.78 C ATOM 350 C LEU A 24 -11.428 -10.246 1.209 1.00 0.71 C ATOM 351 O LEU A 24 -11.580 -11.113 2.060 1.00 0.68 O ATOM 352 CB LEU A 24 -9.454 -8.687 1.502 1.00 0.78 C ATOM 353 CG LEU A 24 -8.852 -8.809 0.097 1.00 0.89 C ATOM 354 CD1 LEU A 24 -9.152 -7.566 -0.728 1.00 1.45 C ATOM 355 CD2 LEU A 24 -7.349 -9.031 0.186 1.00 1.26 C ATOM 0 H LEU A 24 -10.634 -8.636 3.673 1.00 0.77 H new ATOM 0 HA LEU A 24 -11.445 -8.118 0.949 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -9.180 -7.712 1.906 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -8.986 -9.438 2.139 1.00 0.78 H new ATOM 0 HG LEU A 24 -9.307 -9.667 -0.398 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -8.716 -7.674 -1.721 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -10.231 -7.440 -0.818 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -8.725 -6.692 -0.237 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -6.934 -9.116 -0.818 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -6.887 -8.188 0.700 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -7.149 -9.948 0.740 1.00 1.26 H new ATOM 361 N PRO A 25 -11.729 -10.471 -0.078 1.00 0.76 N ATOM 362 CA PRO A 25 -12.153 -11.781 -0.574 1.00 0.74 C ATOM 363 C PRO A 25 -10.975 -12.709 -0.854 1.00 0.67 C ATOM 364 O PRO A 25 -10.055 -12.355 -1.590 1.00 0.67 O ATOM 365 CB PRO A 25 -12.884 -11.445 -1.883 1.00 0.85 C ATOM 366 CG PRO A 25 -12.920 -9.950 -1.948 1.00 0.94 C ATOM 367 CD PRO A 25 -11.753 -9.481 -1.148 1.00 0.89 C ATOM 0 HA PRO A 25 -12.767 -12.310 0.155 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -12.361 -11.863 -2.743 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -13.891 -11.863 -1.889 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.853 -9.602 -2.979 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -13.854 -9.563 -1.541 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -10.830 -9.479 -1.728 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -11.893 -8.469 -0.769 1.00 0.89 H new ATOM 375 N GLU A 26 -11.012 -13.897 -0.256 1.00 0.64 N ATOM 376 CA GLU A 26 -9.970 -14.885 -0.440 1.00 0.60 C ATOM 377 C GLU A 26 -9.718 -15.151 -1.920 1.00 0.60 C ATOM 378 O GLU A 26 -8.590 -15.426 -2.327 1.00 0.59 O ATOM 379 CB GLU A 26 -10.373 -16.175 0.266 1.00 0.64 C ATOM 380 CG GLU A 26 -11.600 -16.843 -0.332 1.00 1.42 C ATOM 381 CD GLU A 26 -12.061 -18.042 0.473 1.00 1.61 C ATOM 382 OE1 GLU A 26 -11.478 -19.134 0.301 1.00 1.74 O ATOM 383 OE2 GLU A 26 -13.005 -17.889 1.277 1.00 1.99 O ATOM 0 H GLU A 26 -11.764 -14.194 0.365 1.00 0.64 H new ATOM 0 HA GLU A 26 -9.044 -14.503 -0.010 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -9.537 -16.874 0.231 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -10.564 -15.959 1.317 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -12.411 -16.117 -0.393 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -11.377 -17.158 -1.351 1.00 1.42 H new ATOM 390 N ASP A 27 -10.777 -15.069 -2.723 1.00 0.65 N ATOM 391 CA ASP A 27 -10.662 -15.295 -4.159 1.00 0.70 C ATOM 392 C ASP A 27 -9.703 -14.285 -4.778 1.00 0.70 C ATOM 393 O ASP A 27 -8.821 -14.647 -5.555 1.00 0.71 O ATOM 394 CB ASP A 27 -12.034 -15.194 -4.827 1.00 0.80 C ATOM 395 CG ASP A 27 -12.980 -16.288 -4.371 1.00 1.44 C ATOM 396 OD1 ASP A 27 -13.590 -16.133 -3.291 1.00 2.29 O ATOM 397 OD2 ASP A 27 -13.112 -17.299 -5.091 1.00 1.62 O ATOM 0 H ASP A 27 -11.720 -14.848 -2.404 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.268 -16.299 -4.320 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -12.473 -14.221 -4.604 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -11.913 -15.249 -5.909 1.00 0.80 H new ATOM 402 N LEU A 28 -9.884 -13.020 -4.419 1.00 0.73 N ATOM 403 CA LEU A 28 -9.030 -11.951 -4.921 1.00 0.78 C ATOM 404 C LEU A 28 -7.595 -12.151 -4.449 1.00 0.74 C ATOM 405 O LEU A 28 -6.646 -11.854 -5.177 1.00 0.77 O ATOM 406 CB LEU A 28 -9.556 -10.586 -4.470 1.00 0.90 C ATOM 407 CG LEU A 28 -10.667 -9.996 -5.343 1.00 1.08 C ATOM 408 CD1 LEU A 28 -11.903 -10.885 -5.321 1.00 1.65 C ATOM 409 CD2 LEU A 28 -11.016 -8.589 -4.880 1.00 1.60 C ATOM 0 H LEU A 28 -10.616 -12.709 -3.781 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.044 -11.982 -6.010 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -9.927 -10.676 -3.449 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -8.723 -9.883 -4.445 1.00 0.90 H new ATOM 0 HG LEU A 28 -10.303 -9.945 -6.369 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -12.679 -10.445 -5.948 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -11.647 -11.874 -5.701 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -12.270 -10.973 -4.298 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -11.807 -8.184 -5.511 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -11.357 -8.621 -3.845 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -10.134 -7.953 -4.952 1.00 1.60 H new ATOM 415 N ILE A 29 -7.445 -12.650 -3.226 1.00 0.70 N ATOM 416 CA ILE A 29 -6.127 -12.896 -2.651 1.00 0.72 C ATOM 417 C ILE A 29 -5.312 -13.845 -3.525 1.00 0.66 C ATOM 418 O ILE A 29 -4.152 -13.579 -3.837 1.00 0.70 O ATOM 419 CB ILE A 29 -6.237 -13.496 -1.231 1.00 0.76 C ATOM 420 CG1 ILE A 29 -6.375 -12.377 -0.188 1.00 1.01 C ATOM 421 CG2 ILE A 29 -5.035 -14.385 -0.924 1.00 0.90 C ATOM 422 CD1 ILE A 29 -6.313 -12.866 1.246 1.00 1.27 C ATOM 0 H ILE A 29 -8.223 -12.893 -2.612 1.00 0.70 H new ATOM 0 HA ILE A 29 -5.622 -11.932 -2.596 1.00 0.72 H new ATOM 0 HB ILE A 29 -7.131 -14.117 -1.186 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -5.583 -11.645 -0.347 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -7.322 -11.861 -0.345 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -5.134 -14.796 0.081 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.991 -15.200 -1.647 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -4.121 -13.795 -0.986 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -6.418 -12.019 1.924 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -7.121 -13.575 1.424 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -5.355 -13.356 1.422 1.00 1.27 H new ATOM 426 N GLN A 30 -5.928 -14.954 -3.911 1.00 0.61 N ATOM 427 CA GLN A 30 -5.265 -15.957 -4.737 1.00 0.62 C ATOM 428 C GLN A 30 -4.824 -15.376 -6.079 1.00 0.62 C ATOM 429 O GLN A 30 -3.719 -15.648 -6.549 1.00 0.64 O ATOM 430 CB GLN A 30 -6.196 -17.147 -4.952 1.00 0.68 C ATOM 431 CG GLN A 30 -6.723 -17.728 -3.656 1.00 0.73 C ATOM 432 CD GLN A 30 -5.634 -18.369 -2.818 1.00 0.99 C ATOM 433 OE1 GLN A 30 -4.692 -18.958 -3.347 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.752 -18.240 -1.501 1.00 1.08 N ATOM 0 H GLN A 30 -6.891 -15.184 -3.664 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.369 -16.290 -4.213 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.036 -16.836 -5.573 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.664 -17.923 -5.502 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -7.204 -16.939 -3.078 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -7.488 -18.471 -3.880 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -6.551 -17.743 -1.107 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -5.044 -18.638 -0.884 1.00 1.08 H new ATOM 441 N LYS A 31 -5.692 -14.582 -6.694 1.00 0.65 N ATOM 442 CA LYS A 31 -5.384 -13.964 -7.980 1.00 0.72 C ATOM 443 C LYS A 31 -4.289 -12.909 -7.839 1.00 0.72 C ATOM 444 O LYS A 31 -3.499 -12.696 -8.758 1.00 0.76 O ATOM 445 CB LYS A 31 -6.640 -13.334 -8.587 1.00 0.86 C ATOM 446 CG LYS A 31 -7.501 -14.317 -9.366 1.00 1.19 C ATOM 447 CD LYS A 31 -8.179 -15.320 -8.446 1.00 1.49 C ATOM 448 CE LYS A 31 -9.001 -16.329 -9.231 1.00 2.17 C ATOM 449 NZ LYS A 31 -9.641 -17.336 -8.339 1.00 2.84 N ATOM 0 H LYS A 31 -6.614 -14.350 -6.324 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.021 -14.747 -8.645 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.238 -12.894 -7.788 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.344 -12.520 -9.249 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -8.257 -13.771 -9.930 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -6.883 -14.847 -10.091 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -7.425 -15.843 -7.857 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -8.823 -14.792 -7.743 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -9.770 -15.807 -9.800 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -8.361 -16.837 -9.952 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -10.193 -18.006 -8.912 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -8.906 -17.852 -7.814 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -10.272 -16.854 -7.667 1.00 2.84 H new ATOM 463 N GLY A 32 -4.250 -12.253 -6.684 1.00 0.73 N ATOM 464 CA GLY A 32 -3.260 -11.217 -6.448 1.00 0.81 C ATOM 465 C GLY A 32 -1.895 -11.764 -6.062 1.00 0.76 C ATOM 466 O GLY A 32 -0.870 -11.178 -6.407 1.00 0.83 O ATOM 0 H GLY A 32 -4.887 -12.420 -5.905 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -3.159 -10.610 -7.347 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -3.616 -10.558 -5.656 1.00 0.81 H new ATOM 470 N LYS A 33 -1.880 -12.884 -5.346 1.00 0.72 N ATOM 471 CA LYS A 33 -0.627 -13.492 -4.907 1.00 0.76 C ATOM 472 C LYS A 33 0.059 -14.241 -6.047 1.00 0.70 C ATOM 473 O LYS A 33 1.281 -14.379 -6.063 1.00 0.77 O ATOM 474 CB LYS A 33 -0.877 -14.443 -3.733 1.00 0.83 C ATOM 475 CG LYS A 33 -1.751 -15.628 -4.077 1.00 0.79 C ATOM 476 CD LYS A 33 -2.182 -16.357 -2.819 1.00 0.92 C ATOM 477 CE LYS A 33 -1.121 -17.340 -2.353 1.00 1.16 C ATOM 478 NZ LYS A 33 -1.501 -18.008 -1.077 1.00 1.82 N ATOM 0 H LYS A 33 -2.718 -13.388 -5.058 1.00 0.72 H new ATOM 0 HA LYS A 33 0.034 -12.688 -4.583 1.00 0.76 H new ATOM 0 HB2 LYS A 33 0.082 -14.807 -3.363 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.342 -13.886 -2.920 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.629 -15.291 -4.627 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.207 -16.310 -4.731 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.381 -15.634 -2.028 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -3.115 -16.889 -3.007 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -0.962 -18.094 -3.124 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.175 -16.816 -2.220 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -0.927 -18.866 -0.950 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -1.333 -17.359 -0.282 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -2.508 -18.266 -1.107 1.00 1.82 H new ATOM 492 N ASP A 34 -0.734 -14.720 -6.999 1.00 0.64 N ATOM 493 CA ASP A 34 -0.199 -15.457 -8.138 1.00 0.65 C ATOM 494 C ASP A 34 0.498 -14.520 -9.121 1.00 0.57 C ATOM 495 O ASP A 34 1.389 -14.934 -9.864 1.00 0.60 O ATOM 496 CB ASP A 34 -1.316 -16.219 -8.851 1.00 0.74 C ATOM 497 CG ASP A 34 -0.796 -17.064 -9.996 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.697 -16.539 -11.125 1.00 1.89 O ATOM 499 OD2 ASP A 34 -0.490 -18.253 -9.766 1.00 1.17 O ATOM 0 H ASP A 34 -1.748 -14.611 -7.005 1.00 0.64 H new ATOM 0 HA ASP A 34 0.536 -16.168 -7.761 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.831 -16.859 -8.135 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -2.052 -15.510 -9.231 1.00 0.74 H new ATOM 504 N ILE A 35 0.089 -13.255 -9.119 1.00 0.52 N ATOM 505 CA ILE A 35 0.672 -12.261 -10.014 1.00 0.48 C ATOM 506 C ILE A 35 1.454 -11.206 -9.236 1.00 0.43 C ATOM 507 O ILE A 35 0.918 -10.558 -8.339 1.00 0.46 O ATOM 508 CB ILE A 35 -0.416 -11.565 -10.855 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.315 -12.611 -11.521 1.00 0.61 C ATOM 510 CG2 ILE A 35 0.219 -10.659 -11.901 1.00 0.55 C ATOM 511 CD1 ILE A 35 -2.520 -12.022 -12.221 1.00 1.28 C ATOM 0 H ILE A 35 -0.644 -12.894 -8.508 1.00 0.52 H new ATOM 0 HA ILE A 35 1.354 -12.792 -10.678 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.028 -10.949 -10.197 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -0.726 -13.175 -12.244 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -1.655 -13.319 -10.765 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -0.563 -10.175 -12.486 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.824 -9.900 -11.406 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.851 -11.253 -12.561 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -3.109 -12.823 -12.668 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.132 -11.482 -11.499 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.189 -11.336 -13.001 1.00 1.28 H new ATOM 515 N LYS A 36 2.725 -11.040 -9.592 1.00 0.40 N ATOM 516 CA LYS A 36 3.586 -10.063 -8.934 1.00 0.38 C ATOM 517 C LYS A 36 3.036 -8.648 -9.101 1.00 0.38 C ATOM 518 O LYS A 36 3.040 -8.094 -10.200 1.00 0.51 O ATOM 519 CB LYS A 36 5.007 -10.149 -9.498 1.00 0.41 C ATOM 520 CG LYS A 36 5.060 -10.202 -11.016 1.00 1.03 C ATOM 521 CD LYS A 36 6.482 -10.399 -11.519 1.00 1.53 C ATOM 522 CE LYS A 36 6.527 -10.521 -13.033 1.00 2.02 C ATOM 523 NZ LYS A 36 7.910 -10.763 -13.531 1.00 2.58 N ATOM 0 H LYS A 36 3.182 -11.571 -10.334 1.00 0.40 H new ATOM 0 HA LYS A 36 3.611 -10.293 -7.869 1.00 0.38 H new ATOM 0 HB2 LYS A 36 5.578 -9.287 -9.153 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.495 -11.036 -9.095 1.00 0.41 H new ATOM 0 HG2 LYS A 36 4.430 -11.016 -11.375 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.652 -9.279 -11.428 1.00 1.03 H new ATOM 0 HD2 LYS A 36 7.100 -9.559 -11.202 1.00 1.53 H new ATOM 0 HD3 LYS A 36 6.907 -11.296 -11.068 1.00 1.53 H new ATOM 0 HE2 LYS A 36 5.879 -11.338 -13.351 1.00 2.02 H new ATOM 0 HE3 LYS A 36 6.134 -9.609 -13.482 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 7.897 -10.840 -14.568 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 8.524 -9.972 -13.250 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 8.276 -11.647 -13.123 1.00 2.58 H new ATOM 537 N GLY A 37 2.557 -8.071 -8.002 1.00 0.45 N ATOM 538 CA GLY A 37 2.007 -6.726 -8.043 1.00 0.49 C ATOM 539 C GLY A 37 3.062 -5.674 -8.325 1.00 0.40 C ATOM 540 O GLY A 37 4.254 -5.980 -8.375 1.00 0.39 O ATOM 0 H GLY A 37 2.540 -8.511 -7.082 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.235 -6.676 -8.811 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.524 -6.505 -7.091 1.00 0.49 H new ATOM 544 N VAL A 38 2.623 -4.431 -8.503 1.00 0.42 N ATOM 545 CA VAL A 38 3.540 -3.331 -8.783 1.00 0.40 C ATOM 546 C VAL A 38 3.233 -2.119 -7.903 1.00 0.40 C ATOM 547 O VAL A 38 2.073 -1.824 -7.618 1.00 0.48 O ATOM 548 CB VAL A 38 3.474 -2.909 -10.268 1.00 0.51 C ATOM 549 CG1 VAL A 38 2.268 -2.021 -10.531 1.00 0.67 C ATOM 550 CG2 VAL A 38 4.759 -2.212 -10.685 1.00 0.80 C ATOM 0 H VAL A 38 1.640 -4.161 -8.458 1.00 0.42 H new ATOM 0 HA VAL A 38 4.545 -3.690 -8.560 1.00 0.40 H new ATOM 0 HB VAL A 38 3.363 -3.811 -10.870 1.00 0.51 H new ATOM 0 HG11 VAL A 38 2.246 -1.739 -11.584 1.00 0.67 H new ATOM 0 HG12 VAL A 38 1.356 -2.563 -10.282 1.00 0.67 H new ATOM 0 HG13 VAL A 38 2.336 -1.123 -9.916 1.00 0.67 H new ATOM 0 HG21 VAL A 38 4.692 -1.923 -11.734 1.00 0.80 H new ATOM 0 HG22 VAL A 38 4.906 -1.323 -10.072 1.00 0.80 H new ATOM 0 HG23 VAL A 38 5.601 -2.890 -10.548 1.00 0.80 H new ATOM 554 N SER A 39 4.282 -1.430 -7.466 1.00 0.37 N ATOM 555 CA SER A 39 4.127 -0.246 -6.630 1.00 0.40 C ATOM 556 C SER A 39 5.054 0.872 -7.103 1.00 0.39 C ATOM 557 O SER A 39 6.268 0.692 -7.165 1.00 0.44 O ATOM 558 CB SER A 39 4.422 -0.586 -5.168 1.00 0.47 C ATOM 559 OG SER A 39 5.742 -1.081 -5.016 1.00 1.40 O ATOM 0 H SER A 39 5.250 -1.672 -7.678 1.00 0.37 H new ATOM 0 HA SER A 39 3.096 0.098 -6.713 1.00 0.40 H new ATOM 0 HB2 SER A 39 4.290 0.303 -4.551 1.00 0.47 H new ATOM 0 HB3 SER A 39 3.708 -1.329 -4.813 1.00 0.47 H new ATOM 0 HG SER A 39 6.347 -0.588 -5.609 1.00 1.40 H new ATOM 565 N GLU A 40 4.480 2.027 -7.424 1.00 0.38 N ATOM 566 CA GLU A 40 5.267 3.166 -7.893 1.00 0.39 C ATOM 567 C GLU A 40 4.997 4.398 -7.034 1.00 0.39 C ATOM 568 O GLU A 40 3.869 4.621 -6.595 1.00 0.45 O ATOM 569 CB GLU A 40 4.946 3.466 -9.361 1.00 0.43 C ATOM 570 CG GLU A 40 5.884 4.473 -9.997 1.00 1.21 C ATOM 571 CD GLU A 40 5.652 4.624 -11.489 1.00 1.54 C ATOM 572 OE1 GLU A 40 4.696 5.331 -11.873 1.00 2.16 O ATOM 573 OE2 GLU A 40 6.427 4.038 -12.273 1.00 1.57 O ATOM 0 H GLU A 40 3.476 2.201 -7.369 1.00 0.38 H new ATOM 0 HA GLU A 40 6.323 2.910 -7.808 1.00 0.39 H new ATOM 0 HB2 GLU A 40 4.985 2.537 -9.929 1.00 0.43 H new ATOM 0 HB3 GLU A 40 3.924 3.840 -9.431 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.755 5.441 -9.513 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.915 4.165 -9.823 1.00 1.21 H new ATOM 580 N ILE A 41 6.037 5.194 -6.796 1.00 0.39 N ATOM 581 CA ILE A 41 5.902 6.398 -5.982 1.00 0.41 C ATOM 582 C ILE A 41 6.433 7.627 -6.711 1.00 0.40 C ATOM 583 O ILE A 41 7.609 7.690 -7.067 1.00 0.43 O ATOM 584 CB ILE A 41 6.658 6.258 -4.646 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.360 4.900 -4.003 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.279 7.392 -3.705 1.00 0.55 C ATOM 587 CD1 ILE A 41 7.144 4.644 -2.734 1.00 1.16 C ATOM 0 H ILE A 41 6.978 5.028 -7.154 1.00 0.39 H new ATOM 0 HA ILE A 41 4.837 6.523 -5.788 1.00 0.41 H new ATOM 0 HB ILE A 41 7.729 6.316 -4.843 1.00 0.48 H new ATOM 0 HG12 ILE A 41 5.295 4.839 -3.780 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.581 4.111 -4.722 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.820 7.281 -2.765 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.538 8.347 -4.163 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.207 7.362 -3.512 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.881 3.664 -2.335 1.00 1.16 H new ATOM 0 HD12 ILE A 41 8.211 4.672 -2.954 1.00 1.16 H new ATOM 0 HD13 ILE A 41 6.905 5.411 -1.998 1.00 1.16 H new ATOM 591 N VAL A 42 5.559 8.602 -6.931 1.00 0.39 N ATOM 592 CA VAL A 42 5.943 9.839 -7.599 1.00 0.41 C ATOM 593 C VAL A 42 5.975 10.994 -6.605 1.00 0.41 C ATOM 594 O VAL A 42 4.940 11.377 -6.064 1.00 0.42 O ATOM 595 CB VAL A 42 4.978 10.185 -8.748 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.497 11.368 -9.547 1.00 0.52 C ATOM 597 CG2 VAL A 42 4.766 8.975 -9.647 1.00 0.50 C ATOM 0 H VAL A 42 4.578 8.559 -6.656 1.00 0.39 H new ATOM 0 HA VAL A 42 6.938 9.686 -8.016 1.00 0.41 H new ATOM 0 HB VAL A 42 4.016 10.464 -8.318 1.00 0.45 H new ATOM 0 HG11 VAL A 42 4.800 11.596 -10.354 1.00 0.52 H new ATOM 0 HG12 VAL A 42 5.591 12.235 -8.893 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.472 11.123 -9.968 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.081 9.237 -10.454 1.00 0.50 H new ATOM 0 HG22 VAL A 42 5.722 8.663 -10.069 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.343 8.158 -9.063 1.00 0.50 H new ATOM 601 N HIS A 43 7.160 11.547 -6.369 1.00 0.45 N ATOM 602 CA HIS A 43 7.306 12.655 -5.430 1.00 0.48 C ATOM 603 C HIS A 43 7.474 13.981 -6.169 1.00 0.51 C ATOM 604 O HIS A 43 8.466 14.194 -6.865 1.00 0.58 O ATOM 605 CB HIS A 43 8.504 12.400 -4.508 1.00 0.57 C ATOM 606 CG HIS A 43 8.877 13.572 -3.653 1.00 0.72 C ATOM 607 ND1 HIS A 43 9.940 14.403 -3.937 1.00 1.30 N ATOM 608 CD2 HIS A 43 8.328 14.049 -2.509 1.00 0.78 C ATOM 609 CE1 HIS A 43 10.031 15.337 -3.007 1.00 1.31 C ATOM 610 NE2 HIS A 43 9.063 15.145 -2.130 1.00 0.87 N ATOM 0 H HIS A 43 8.029 11.249 -6.812 1.00 0.45 H new ATOM 0 HA HIS A 43 6.400 12.720 -4.828 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.278 11.551 -3.863 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.364 12.119 -5.116 1.00 0.57 H new ATOM 0 HD2 HIS A 43 7.472 13.642 -1.992 1.00 0.78 H new ATOM 0 HE1 HIS A 43 10.771 16.123 -2.970 1.00 1.31 H new ATOM 0 HE2 HIS A 43 8.889 15.718 -1.304 1.00 0.87 H new ATOM 619 N GLU A 44 6.494 14.871 -6.007 1.00 0.51 N ATOM 620 CA GLU A 44 6.526 16.178 -6.659 1.00 0.58 C ATOM 621 C GLU A 44 6.045 17.286 -5.721 1.00 0.61 C ATOM 622 O GLU A 44 4.847 17.426 -5.478 1.00 0.64 O ATOM 623 CB GLU A 44 5.662 16.162 -7.923 1.00 0.63 C ATOM 624 CG GLU A 44 6.210 15.276 -9.030 1.00 1.32 C ATOM 625 CD GLU A 44 7.490 15.820 -9.634 1.00 1.93 C ATOM 626 OE1 GLU A 44 7.407 16.766 -10.445 1.00 2.45 O ATOM 627 OE2 GLU A 44 8.575 15.300 -9.296 1.00 2.53 O ATOM 0 H GLU A 44 5.669 14.709 -5.430 1.00 0.51 H new ATOM 0 HA GLU A 44 7.562 16.386 -6.928 1.00 0.58 H new ATOM 0 HB2 GLU A 44 4.659 15.823 -7.662 1.00 0.63 H new ATOM 0 HB3 GLU A 44 5.566 17.180 -8.299 1.00 0.63 H new ATOM 0 HG2 GLU A 44 6.396 14.278 -8.633 1.00 1.32 H new ATOM 0 HG3 GLU A 44 5.459 15.173 -9.813 1.00 1.32 H new ATOM 634 N GLY A 45 6.989 18.070 -5.202 1.00 0.65 N ATOM 635 CA GLY A 45 6.650 19.168 -4.310 1.00 0.70 C ATOM 636 C GLY A 45 5.728 18.763 -3.173 1.00 0.81 C ATOM 637 O GLY A 45 4.618 19.282 -3.056 1.00 1.77 O ATOM 0 H GLY A 45 7.987 17.963 -5.385 1.00 0.65 H new ATOM 0 HA2 GLY A 45 7.567 19.583 -3.893 1.00 0.70 H new ATOM 0 HA3 GLY A 45 6.175 19.961 -4.887 1.00 0.70 H new ATOM 641 N LYS A 46 6.190 17.830 -2.339 1.00 0.68 N ATOM 642 CA LYS A 46 5.418 17.347 -1.189 1.00 0.64 C ATOM 643 C LYS A 46 4.200 16.526 -1.615 1.00 0.57 C ATOM 644 O LYS A 46 3.650 15.771 -0.816 1.00 0.60 O ATOM 645 CB LYS A 46 4.966 18.511 -0.305 1.00 0.69 C ATOM 646 CG LYS A 46 6.066 19.507 0.006 1.00 1.50 C ATOM 647 CD LYS A 46 5.576 20.588 0.957 1.00 1.65 C ATOM 648 CE LYS A 46 6.658 21.615 1.227 1.00 2.57 C ATOM 649 NZ LYS A 46 7.795 21.037 1.995 1.00 3.15 N ATOM 0 H LYS A 46 7.104 17.389 -2.439 1.00 0.68 H new ATOM 0 HA LYS A 46 6.082 16.697 -0.620 1.00 0.64 H new ATOM 0 HB2 LYS A 46 4.146 19.032 -0.798 1.00 0.69 H new ATOM 0 HB3 LYS A 46 4.574 18.113 0.631 1.00 0.69 H new ATOM 0 HG2 LYS A 46 6.916 18.988 0.448 1.00 1.50 H new ATOM 0 HG3 LYS A 46 6.418 19.965 -0.919 1.00 1.50 H new ATOM 0 HD2 LYS A 46 4.702 21.081 0.532 1.00 1.65 H new ATOM 0 HD3 LYS A 46 5.260 20.134 1.896 1.00 1.65 H new ATOM 0 HE2 LYS A 46 7.025 22.013 0.281 1.00 2.57 H new ATOM 0 HE3 LYS A 46 6.234 22.452 1.782 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 8.447 21.797 2.276 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 7.433 20.560 2.845 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 8.301 20.349 1.401 1.00 3.15 H new ATOM 663 N LYS A 47 3.783 16.670 -2.870 1.00 0.55 N ATOM 664 CA LYS A 47 2.631 15.931 -3.372 1.00 0.52 C ATOM 665 C LYS A 47 3.075 14.603 -3.970 1.00 0.47 C ATOM 666 O LYS A 47 3.681 14.563 -5.039 1.00 0.53 O ATOM 667 CB LYS A 47 1.875 16.749 -4.423 1.00 0.61 C ATOM 668 CG LYS A 47 0.890 17.747 -3.833 1.00 1.25 C ATOM 669 CD LYS A 47 1.597 18.883 -3.116 1.00 1.65 C ATOM 670 CE LYS A 47 0.639 20.011 -2.773 1.00 2.25 C ATOM 671 NZ LYS A 47 -0.465 19.550 -1.886 1.00 2.71 N ATOM 0 H LYS A 47 4.223 17.287 -3.553 1.00 0.55 H new ATOM 0 HA LYS A 47 1.960 15.738 -2.534 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.596 17.286 -5.040 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.337 16.068 -5.082 1.00 0.61 H new ATOM 0 HG2 LYS A 47 0.264 18.153 -4.628 1.00 1.25 H new ATOM 0 HG3 LYS A 47 0.227 17.234 -3.136 1.00 1.25 H new ATOM 0 HD2 LYS A 47 2.058 18.506 -2.203 1.00 1.65 H new ATOM 0 HD3 LYS A 47 2.401 19.266 -3.745 1.00 1.65 H new ATOM 0 HE2 LYS A 47 1.186 20.816 -2.283 1.00 2.25 H new ATOM 0 HE3 LYS A 47 0.220 20.423 -3.691 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 -1.364 19.578 -2.408 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -0.276 18.576 -1.574 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 -0.527 20.174 -1.056 1.00 2.71 H new ATOM 685 N VAL A 48 2.765 13.517 -3.271 1.00 0.44 N ATOM 686 CA VAL A 48 3.145 12.186 -3.723 1.00 0.44 C ATOM 687 C VAL A 48 1.947 11.405 -4.256 1.00 0.43 C ATOM 688 O VAL A 48 0.850 11.469 -3.702 1.00 0.52 O ATOM 689 CB VAL A 48 3.802 11.382 -2.586 1.00 0.50 C ATOM 690 CG1 VAL A 48 4.251 10.018 -3.081 1.00 1.36 C ATOM 691 CG2 VAL A 48 4.973 12.154 -1.995 1.00 1.31 C ATOM 0 H VAL A 48 2.252 13.533 -2.390 1.00 0.44 H new ATOM 0 HA VAL A 48 3.862 12.325 -4.533 1.00 0.44 H new ATOM 0 HB VAL A 48 3.061 11.229 -1.801 1.00 0.50 H new ATOM 0 HG11 VAL A 48 4.712 9.467 -2.261 1.00 1.36 H new ATOM 0 HG12 VAL A 48 3.389 9.463 -3.451 1.00 1.36 H new ATOM 0 HG13 VAL A 48 4.975 10.143 -3.886 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.425 11.571 -1.193 1.00 1.31 H new ATOM 0 HG22 VAL A 48 5.715 12.340 -2.771 1.00 1.31 H new ATOM 0 HG23 VAL A 48 4.618 13.105 -1.597 1.00 1.31 H new ATOM 695 N LYS A 49 2.177 10.663 -5.337 1.00 0.43 N ATOM 696 CA LYS A 49 1.134 9.852 -5.956 1.00 0.44 C ATOM 697 C LYS A 49 1.518 8.377 -5.920 1.00 0.42 C ATOM 698 O LYS A 49 2.613 8.001 -6.341 1.00 0.44 O ATOM 699 CB LYS A 49 0.908 10.296 -7.403 1.00 0.51 C ATOM 700 CG LYS A 49 0.494 11.752 -7.536 1.00 1.22 C ATOM 701 CD LYS A 49 0.322 12.154 -8.993 1.00 1.35 C ATOM 702 CE LYS A 49 1.647 12.134 -9.741 1.00 1.95 C ATOM 703 NZ LYS A 49 2.634 13.078 -9.148 1.00 2.54 N ATOM 0 H LYS A 49 3.082 10.608 -5.804 1.00 0.43 H new ATOM 0 HA LYS A 49 0.210 9.989 -5.395 1.00 0.44 H new ATOM 0 HB2 LYS A 49 1.824 10.134 -7.971 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.140 9.666 -7.851 1.00 0.51 H new ATOM 0 HG2 LYS A 49 -0.441 11.916 -7.000 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.245 12.389 -7.068 1.00 1.22 H new ATOM 0 HD2 LYS A 49 -0.380 11.475 -9.478 1.00 1.35 H new ATOM 0 HD3 LYS A 49 -0.111 13.153 -9.047 1.00 1.35 H new ATOM 0 HE2 LYS A 49 2.057 11.124 -9.727 1.00 1.95 H new ATOM 0 HE3 LYS A 49 1.478 12.395 -10.786 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 3.399 13.254 -9.830 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 2.162 13.976 -8.919 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 3.032 12.665 -8.280 1.00 2.54 H new ATOM 717 N LEU A 50 0.613 7.543 -5.418 1.00 0.40 N ATOM 718 CA LEU A 50 0.866 6.109 -5.324 1.00 0.40 C ATOM 719 C LEU A 50 0.069 5.341 -6.375 1.00 0.36 C ATOM 720 O LEU A 50 -1.144 5.520 -6.501 1.00 0.38 O ATOM 721 CB LEU A 50 0.504 5.599 -3.925 1.00 0.48 C ATOM 722 CG LEU A 50 1.396 4.481 -3.375 1.00 0.74 C ATOM 723 CD1 LEU A 50 1.365 3.262 -4.285 1.00 1.34 C ATOM 724 CD2 LEU A 50 2.823 4.977 -3.195 1.00 1.69 C ATOM 0 H LEU A 50 -0.301 7.834 -5.071 1.00 0.40 H new ATOM 0 HA LEU A 50 1.928 5.942 -5.506 1.00 0.40 H new ATOM 0 HB2 LEU A 50 0.537 6.440 -3.232 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.526 5.242 -3.944 1.00 0.48 H new ATOM 0 HG LEU A 50 1.006 4.185 -2.401 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.006 2.483 -3.872 1.00 1.34 H new ATOM 0 HD12 LEU A 50 0.343 2.889 -4.359 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.723 3.539 -5.277 1.00 1.34 H new ATOM 0 HD21 LEU A 50 3.442 4.170 -2.804 1.00 1.69 H new ATOM 0 HD22 LEU A 50 3.218 5.304 -4.157 1.00 1.69 H new ATOM 0 HD23 LEU A 50 2.832 5.813 -2.496 1.00 1.69 H new ATOM 730 N THR A 51 0.759 4.490 -7.129 1.00 0.36 N ATOM 731 CA THR A 51 0.112 3.692 -8.163 1.00 0.37 C ATOM 732 C THR A 51 0.407 2.209 -7.974 1.00 0.39 C ATOM 733 O THR A 51 1.565 1.802 -7.886 1.00 0.45 O ATOM 734 CB THR A 51 0.580 4.116 -9.569 1.00 0.47 C ATOM 735 OG1 THR A 51 0.428 5.531 -9.731 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.213 3.392 -10.645 1.00 0.63 C ATOM 0 H THR A 51 1.764 4.336 -7.043 1.00 0.36 H new ATOM 0 HA THR A 51 -0.961 3.864 -8.073 1.00 0.37 H new ATOM 0 HB THR A 51 1.632 3.849 -9.672 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.729 5.792 -10.626 1.00 0.61 H new ATOM 0 HG21 THR A 51 0.135 3.708 -11.628 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.073 2.316 -10.539 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.271 3.632 -10.541 1.00 0.63 H new ATOM 741 N ILE A 52 -0.650 1.406 -7.915 1.00 0.41 N ATOM 742 CA ILE A 52 -0.512 -0.036 -7.741 1.00 0.47 C ATOM 743 C ILE A 52 -1.365 -0.786 -8.759 1.00 0.56 C ATOM 744 O ILE A 52 -2.513 -0.416 -9.007 1.00 0.63 O ATOM 745 CB ILE A 52 -0.918 -0.475 -6.321 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.153 0.337 -5.275 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.667 -1.965 -6.136 1.00 1.10 C ATOM 748 CD1 ILE A 52 -0.586 0.059 -3.852 1.00 1.76 C ATOM 0 H ILE A 52 -1.615 1.730 -7.985 1.00 0.41 H new ATOM 0 HA ILE A 52 0.539 -0.279 -7.896 1.00 0.47 H new ATOM 0 HB ILE A 52 -1.984 -0.288 -6.188 1.00 0.55 H new ATOM 0 HG12 ILE A 52 0.912 0.123 -5.370 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.285 1.399 -5.485 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -0.958 -2.261 -5.128 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.254 -2.526 -6.863 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.392 -2.177 -6.284 1.00 1.10 H new ATOM 0 HD11 ILE A 52 0.001 0.671 -3.167 1.00 1.76 H new ATOM 0 HD12 ILE A 52 -1.643 0.300 -3.740 1.00 1.76 H new ATOM 0 HD13 ILE A 52 -0.428 -0.995 -3.623 1.00 1.76 H new ATOM 752 N THR A 53 -0.804 -1.837 -9.348 1.00 0.63 N ATOM 753 CA THR A 53 -1.532 -2.627 -10.338 1.00 0.76 C ATOM 754 C THR A 53 -1.709 -4.070 -9.878 1.00 0.81 C ATOM 755 O THR A 53 -0.751 -4.726 -9.467 1.00 0.80 O ATOM 756 CB THR A 53 -0.808 -2.623 -11.700 1.00 0.85 C ATOM 757 OG1 THR A 53 -0.619 -1.276 -12.150 1.00 0.87 O ATOM 758 CG2 THR A 53 -1.603 -3.401 -12.740 1.00 1.00 C ATOM 0 H THR A 53 0.145 -2.161 -9.160 1.00 0.63 H new ATOM 0 HA THR A 53 -2.512 -2.163 -10.449 1.00 0.76 H new ATOM 0 HB THR A 53 0.161 -3.104 -11.571 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.157 -1.282 -13.014 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.072 -3.384 -13.692 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.722 -4.433 -12.410 1.00 1.00 H new ATOM 0 HG23 THR A 53 -2.585 -2.944 -12.864 1.00 1.00 H new ATOM 763 N TYR A 54 -2.944 -4.558 -9.953 1.00 0.93 N ATOM 764 CA TYR A 54 -3.254 -5.930 -9.568 1.00 1.04 C ATOM 765 C TYR A 54 -3.870 -6.682 -10.743 1.00 1.18 C ATOM 766 O TYR A 54 -5.012 -6.420 -11.126 1.00 1.53 O ATOM 767 CB TYR A 54 -4.205 -5.954 -8.370 1.00 1.11 C ATOM 768 CG TYR A 54 -3.574 -5.482 -7.078 1.00 1.63 C ATOM 769 CD1 TYR A 54 -2.569 -6.218 -6.462 1.00 1.53 C ATOM 770 CD2 TYR A 54 -3.980 -4.296 -6.477 1.00 2.57 C ATOM 771 CE1 TYR A 54 -1.988 -5.787 -5.286 1.00 2.31 C ATOM 772 CE2 TYR A 54 -3.404 -3.858 -5.300 1.00 3.42 C ATOM 773 CZ TYR A 54 -2.417 -4.616 -4.700 1.00 3.28 C ATOM 774 OH TYR A 54 -1.833 -4.176 -3.534 1.00 4.18 O ATOM 0 H TYR A 54 -3.748 -4.021 -10.278 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.325 -6.423 -9.281 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -5.069 -5.327 -8.591 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.575 -6.970 -8.232 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.237 -7.143 -6.911 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.759 -3.707 -6.938 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -1.200 -6.366 -4.827 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -3.723 -2.929 -4.852 1.00 3.42 H new ATOM 0 HH TYR A 54 -2.252 -3.335 -3.256 1.00 4.18 H new ATOM 784 N GLY A 55 -3.113 -7.616 -11.310 1.00 1.09 N ATOM 785 CA GLY A 55 -3.604 -8.384 -12.441 1.00 1.20 C ATOM 786 C GLY A 55 -3.753 -7.539 -13.692 1.00 1.22 C ATOM 787 O GLY A 55 -2.860 -7.513 -14.540 1.00 2.00 O ATOM 0 H GLY A 55 -2.169 -7.855 -11.007 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -2.920 -9.208 -12.642 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.568 -8.825 -12.187 1.00 1.20 H new ATOM 791 N SER A 56 -4.883 -6.847 -13.809 1.00 0.89 N ATOM 792 CA SER A 56 -5.146 -5.993 -14.963 1.00 1.23 C ATOM 793 C SER A 56 -5.886 -4.726 -14.547 1.00 1.14 C ATOM 794 O SER A 56 -6.483 -4.042 -15.378 1.00 1.30 O ATOM 795 CB SER A 56 -5.960 -6.753 -16.011 1.00 1.66 C ATOM 796 OG SER A 56 -6.122 -5.980 -17.188 1.00 2.20 O ATOM 0 H SER A 56 -5.632 -6.861 -13.117 1.00 0.89 H new ATOM 0 HA SER A 56 -4.188 -5.705 -15.396 1.00 1.23 H new ATOM 0 HB2 SER A 56 -5.461 -7.691 -16.254 1.00 1.66 H new ATOM 0 HB3 SER A 56 -6.938 -7.008 -15.602 1.00 1.66 H new ATOM 0 HG SER A 56 -6.287 -5.045 -16.945 1.00 2.20 H new ATOM 802 N LYS A 57 -5.835 -4.415 -13.255 1.00 0.92 N ATOM 803 CA LYS A 57 -6.501 -3.230 -12.727 1.00 0.86 C ATOM 804 C LYS A 57 -5.485 -2.190 -12.275 1.00 0.77 C ATOM 805 O LYS A 57 -4.489 -2.519 -11.630 1.00 0.77 O ATOM 806 CB LYS A 57 -7.410 -3.601 -11.560 1.00 0.89 C ATOM 807 CG LYS A 57 -8.109 -2.401 -10.940 1.00 0.91 C ATOM 808 CD LYS A 57 -8.970 -2.819 -9.764 1.00 1.02 C ATOM 809 CE LYS A 57 -10.270 -3.460 -10.223 1.00 1.79 C ATOM 810 NZ LYS A 57 -11.088 -3.941 -9.075 1.00 2.51 N ATOM 0 H LYS A 57 -5.339 -4.967 -12.555 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.105 -2.803 -13.528 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.160 -4.313 -11.904 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.820 -4.105 -10.795 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.367 -1.674 -10.611 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.727 -1.908 -11.691 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -8.418 -3.521 -9.139 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -9.191 -1.949 -9.146 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.846 -2.738 -10.802 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -10.048 -4.296 -10.886 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -11.966 -4.371 -9.430 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.549 -4.649 -8.537 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -11.322 -3.139 -8.455 1.00 2.51 H new ATOM 824 N VAL A 58 -5.744 -0.935 -12.618 1.00 0.75 N ATOM 825 CA VAL A 58 -4.860 0.155 -12.235 1.00 0.70 C ATOM 826 C VAL A 58 -5.472 0.965 -11.099 1.00 0.63 C ATOM 827 O VAL A 58 -6.605 1.435 -11.198 1.00 0.66 O ATOM 828 CB VAL A 58 -4.570 1.090 -13.425 1.00 0.76 C ATOM 829 CG1 VAL A 58 -3.610 2.197 -13.013 1.00 1.38 C ATOM 830 CG2 VAL A 58 -4.014 0.303 -14.601 1.00 1.31 C ATOM 0 H VAL A 58 -6.559 -0.648 -13.160 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.922 -0.290 -11.904 1.00 0.70 H new ATOM 0 HB VAL A 58 -5.507 1.551 -13.737 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -3.417 2.847 -13.866 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -4.052 2.780 -12.205 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -2.673 1.757 -12.672 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.816 0.981 -15.431 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.087 -0.188 -14.304 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -4.740 -0.449 -14.912 1.00 1.31 H new ATOM 834 N ILE A 59 -4.713 1.126 -10.022 1.00 0.59 N ATOM 835 CA ILE A 59 -5.181 1.880 -8.866 1.00 0.56 C ATOM 836 C ILE A 59 -4.280 3.079 -8.602 1.00 0.50 C ATOM 837 O ILE A 59 -3.100 2.924 -8.289 1.00 0.48 O ATOM 838 CB ILE A 59 -5.236 0.995 -7.604 1.00 0.62 C ATOM 839 CG1 ILE A 59 -6.176 -0.192 -7.836 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.686 1.810 -6.398 1.00 0.79 C ATOM 841 CD1 ILE A 59 -6.161 -1.209 -6.713 1.00 1.60 C ATOM 0 H ILE A 59 -3.772 0.745 -9.925 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.188 2.229 -9.094 1.00 0.56 H new ATOM 0 HB ILE A 59 -4.236 0.613 -7.400 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -7.192 0.180 -7.964 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.899 -0.687 -8.767 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.719 1.169 -5.517 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.983 2.625 -6.227 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.678 2.220 -6.586 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -6.850 -2.020 -6.947 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -5.154 -1.610 -6.599 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -6.468 -0.729 -5.784 1.00 1.60 H new ATOM 845 N HIS A 60 -4.843 4.274 -8.733 1.00 0.50 N ATOM 846 CA HIS A 60 -4.088 5.504 -8.513 1.00 0.48 C ATOM 847 C HIS A 60 -4.677 6.326 -7.372 1.00 0.49 C ATOM 848 O HIS A 60 -5.894 6.384 -7.197 1.00 0.57 O ATOM 849 CB HIS A 60 -4.056 6.339 -9.793 1.00 0.55 C ATOM 850 CG HIS A 60 -5.413 6.599 -10.372 1.00 1.14 C ATOM 851 ND1 HIS A 60 -6.156 7.719 -10.069 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.160 5.876 -11.240 1.00 2.15 C ATOM 853 CE1 HIS A 60 -7.304 7.675 -10.724 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.330 6.567 -11.441 1.00 2.74 N ATOM 0 H HIS A 60 -5.819 4.419 -8.990 1.00 0.50 H new ATOM 0 HA HIS A 60 -3.071 5.224 -8.237 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.571 7.292 -9.583 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.445 5.827 -10.536 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -5.887 4.933 -11.690 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -8.086 8.418 -10.680 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -8.096 6.272 -12.047 1.00 2.74 H new ATOM 863 N ASN A 61 -3.802 6.962 -6.597 1.00 0.45 N ATOM 864 CA ASN A 61 -4.228 7.793 -5.476 1.00 0.50 C ATOM 865 C ASN A 61 -3.245 8.938 -5.250 1.00 0.47 C ATOM 866 O ASN A 61 -2.053 8.808 -5.528 1.00 0.69 O ATOM 867 CB ASN A 61 -4.358 6.955 -4.203 1.00 0.58 C ATOM 868 CG ASN A 61 -5.593 6.075 -4.217 1.00 0.86 C ATOM 869 OD1 ASN A 61 -6.667 6.486 -3.776 1.00 1.79 O ATOM 870 ND2 ASN A 61 -5.448 4.857 -4.723 1.00 1.01 N ATOM 0 H ASN A 61 -2.791 6.917 -6.726 1.00 0.45 H new ATOM 0 HA ASN A 61 -5.204 8.214 -5.719 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -3.471 6.331 -4.089 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -4.396 7.616 -3.337 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -6.245 4.221 -4.757 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -4.540 4.557 -5.078 1.00 1.01 H new ATOM 875 N GLU A 62 -3.754 10.061 -4.749 1.00 0.49 N ATOM 876 CA GLU A 62 -2.919 11.230 -4.492 1.00 0.50 C ATOM 877 C GLU A 62 -3.059 11.695 -3.046 1.00 0.49 C ATOM 878 O GLU A 62 -4.168 11.781 -2.517 1.00 0.57 O ATOM 879 CB GLU A 62 -3.294 12.368 -5.443 1.00 0.69 C ATOM 880 CG GLU A 62 -3.240 11.978 -6.910 1.00 1.45 C ATOM 881 CD GLU A 62 -3.600 13.127 -7.831 1.00 1.63 C ATOM 882 OE1 GLU A 62 -4.806 13.339 -8.070 1.00 1.80 O ATOM 883 OE2 GLU A 62 -2.674 13.815 -8.310 1.00 2.01 O ATOM 0 H GLU A 62 -4.739 10.185 -4.514 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.880 10.947 -4.664 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -4.300 12.713 -5.204 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -2.620 13.208 -5.274 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -2.238 11.624 -7.152 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -3.923 11.147 -7.087 1.00 1.45 H new ATOM 890 N PHE A 63 -1.928 11.987 -2.410 1.00 0.44 N ATOM 891 CA PHE A 63 -1.926 12.446 -1.024 1.00 0.45 C ATOM 892 C PHE A 63 -0.761 13.393 -0.755 1.00 0.44 C ATOM 893 O PHE A 63 0.284 13.306 -1.400 1.00 0.45 O ATOM 894 CB PHE A 63 -1.868 11.251 -0.070 1.00 0.49 C ATOM 895 CG PHE A 63 -0.896 10.187 -0.494 1.00 0.70 C ATOM 896 CD1 PHE A 63 0.464 10.349 -0.289 1.00 0.98 C ATOM 897 CD2 PHE A 63 -1.344 9.022 -1.096 1.00 1.10 C ATOM 898 CE1 PHE A 63 1.359 9.371 -0.676 1.00 1.45 C ATOM 899 CE2 PHE A 63 -0.454 8.041 -1.487 1.00 1.54 C ATOM 900 CZ PHE A 63 0.899 8.214 -1.276 1.00 1.66 C ATOM 0 H PHE A 63 -1.002 11.914 -2.832 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.852 12.995 -0.851 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -1.596 11.604 0.925 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.862 10.812 0.009 1.00 0.49 H new ATOM 0 HD1 PHE A 63 0.829 11.251 0.179 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -2.402 8.880 -1.261 1.00 1.10 H new ATOM 0 HE1 PHE A 63 2.417 9.510 -0.510 1.00 1.45 H new ATOM 0 HE2 PHE A 63 -0.816 7.139 -1.958 1.00 1.54 H new ATOM 0 HZ PHE A 63 1.597 7.447 -1.579 1.00 1.66 H new ATOM 910 N THR A 64 -0.951 14.299 0.200 1.00 0.47 N ATOM 911 CA THR A 64 0.082 15.265 0.560 1.00 0.49 C ATOM 912 C THR A 64 0.699 14.928 1.915 1.00 0.49 C ATOM 913 O THR A 64 -0.013 14.687 2.891 1.00 0.55 O ATOM 914 CB THR A 64 -0.478 16.701 0.602 1.00 0.57 C ATOM 915 OG1 THR A 64 -1.076 17.031 -0.656 1.00 0.62 O ATOM 916 CG2 THR A 64 0.624 17.702 0.921 1.00 0.62 C ATOM 0 H THR A 64 -1.813 14.384 0.739 1.00 0.47 H new ATOM 0 HA THR A 64 0.851 15.209 -0.211 1.00 0.49 H new ATOM 0 HB THR A 64 -1.232 16.750 1.387 1.00 0.57 H new ATOM 0 HG1 THR A 64 -1.807 17.668 -0.514 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.206 18.708 0.945 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.060 17.466 1.892 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.397 17.649 0.154 1.00 0.62 H new ATOM 921 N LEU A 65 2.029 14.914 1.964 1.00 0.47 N ATOM 922 CA LEU A 65 2.750 14.603 3.194 1.00 0.50 C ATOM 923 C LEU A 65 2.390 15.576 4.312 1.00 0.53 C ATOM 924 O LEU A 65 1.917 16.683 4.057 1.00 0.99 O ATOM 925 CB LEU A 65 4.265 14.617 2.943 1.00 0.72 C ATOM 926 CG LEU A 65 4.838 15.917 2.365 1.00 1.05 C ATOM 927 CD1 LEU A 65 4.985 16.981 3.443 1.00 1.57 C ATOM 928 CD2 LEU A 65 6.181 15.647 1.704 1.00 1.42 C ATOM 0 H LEU A 65 2.629 15.115 1.164 1.00 0.47 H new ATOM 0 HA LEU A 65 2.452 13.604 3.512 1.00 0.50 H new ATOM 0 HB2 LEU A 65 4.771 14.407 3.885 1.00 0.72 H new ATOM 0 HB3 LEU A 65 4.508 13.801 2.262 1.00 0.72 H new ATOM 0 HG LEU A 65 4.141 16.292 1.616 1.00 1.05 H new ATOM 0 HD11 LEU A 65 5.393 17.891 3.003 1.00 1.57 H new ATOM 0 HD12 LEU A 65 4.009 17.195 3.878 1.00 1.57 H new ATOM 0 HD13 LEU A 65 5.658 16.620 4.221 1.00 1.57 H new ATOM 0 HD21 LEU A 65 6.579 16.576 1.297 1.00 1.42 H new ATOM 0 HD22 LEU A 65 6.876 15.247 2.442 1.00 1.42 H new ATOM 0 HD23 LEU A 65 6.051 14.924 0.899 1.00 1.42 H new ATOM 934 N GLY A 66 2.620 15.148 5.553 1.00 0.46 N ATOM 935 CA GLY A 66 2.327 15.985 6.704 1.00 0.60 C ATOM 936 C GLY A 66 0.947 16.613 6.644 1.00 0.61 C ATOM 937 O GLY A 66 0.753 17.743 7.091 1.00 0.80 O ATOM 0 H GLY A 66 3.006 14.232 5.781 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.409 15.387 7.612 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.076 16.774 6.773 1.00 0.60 H new ATOM 941 N GLU A 67 -0.015 15.879 6.093 1.00 0.54 N ATOM 942 CA GLU A 67 -1.381 16.375 5.978 1.00 0.57 C ATOM 943 C GLU A 67 -2.360 15.228 5.738 1.00 0.55 C ATOM 944 O GLU A 67 -2.048 14.268 5.034 1.00 0.55 O ATOM 945 CB GLU A 67 -1.480 17.392 4.840 1.00 0.60 C ATOM 946 CG GLU A 67 -2.813 18.121 4.786 1.00 1.30 C ATOM 947 CD GLU A 67 -3.102 18.898 6.056 1.00 1.85 C ATOM 948 OE1 GLU A 67 -2.657 20.060 6.154 1.00 2.14 O ATOM 949 OE2 GLU A 67 -3.777 18.346 6.949 1.00 2.66 O ATOM 0 H GLU A 67 0.126 14.940 5.720 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.645 16.862 6.917 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.680 18.124 4.948 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -1.317 16.880 3.892 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -2.815 18.805 3.937 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -3.612 17.399 4.616 1.00 1.30 H new ATOM 956 N GLU A 68 -3.543 15.337 6.335 1.00 0.60 N ATOM 957 CA GLU A 68 -4.573 14.314 6.191 1.00 0.61 C ATOM 958 C GLU A 68 -5.231 14.401 4.818 1.00 0.63 C ATOM 959 O GLU A 68 -5.814 15.427 4.464 1.00 0.71 O ATOM 960 CB GLU A 68 -5.635 14.482 7.282 1.00 0.71 C ATOM 961 CG GLU A 68 -6.667 13.369 7.305 1.00 0.74 C ATOM 962 CD GLU A 68 -7.691 13.547 8.410 1.00 1.01 C ATOM 963 OE1 GLU A 68 -7.451 13.047 9.528 1.00 1.32 O ATOM 964 OE2 GLU A 68 -8.733 14.186 8.156 1.00 1.05 O ATOM 0 H GLU A 68 -3.812 16.125 6.924 1.00 0.60 H new ATOM 0 HA GLU A 68 -4.101 13.336 6.292 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -5.142 14.528 8.253 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -6.144 15.435 7.137 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -7.178 13.332 6.343 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -6.161 12.412 7.434 1.00 0.74 H new ATOM 971 N CYS A 69 -5.136 13.322 4.048 1.00 0.61 N ATOM 972 CA CYS A 69 -5.729 13.284 2.717 1.00 0.67 C ATOM 973 C CYS A 69 -6.781 12.187 2.629 1.00 0.67 C ATOM 974 O CYS A 69 -6.755 11.227 3.399 1.00 0.64 O ATOM 975 CB CYS A 69 -4.654 13.059 1.654 1.00 0.73 C ATOM 976 SG CYS A 69 -5.245 13.273 -0.041 1.00 1.86 S ATOM 0 H CYS A 69 -4.656 12.465 4.322 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.208 14.246 2.534 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -3.831 13.751 1.832 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.253 12.051 1.764 1.00 0.73 H new ATOM 0 HG CYS A 69 -4.729 12.352 -0.800 1.00 1.86 H new ATOM 982 N GLU A 70 -7.704 12.331 1.684 1.00 0.75 N ATOM 983 CA GLU A 70 -8.768 11.351 1.503 1.00 0.77 C ATOM 984 C GLU A 70 -8.550 10.528 0.237 1.00 0.81 C ATOM 985 O GLU A 70 -8.488 11.072 -0.867 1.00 0.87 O ATOM 986 CB GLU A 70 -10.126 12.049 1.446 1.00 0.84 C ATOM 987 CG GLU A 70 -11.303 11.088 1.387 1.00 0.91 C ATOM 988 CD GLU A 70 -12.640 11.800 1.445 1.00 1.22 C ATOM 989 OE1 GLU A 70 -13.097 12.293 0.393 1.00 1.71 O ATOM 990 OE2 GLU A 70 -13.229 11.867 2.545 1.00 1.25 O ATOM 0 H GLU A 70 -7.737 13.115 1.033 1.00 0.75 H new ATOM 0 HA GLU A 70 -8.750 10.674 2.357 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.233 12.688 2.322 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.154 12.699 0.572 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.246 10.505 0.468 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.234 10.384 2.216 1.00 0.91 H new ATOM 997 N LEU A 71 -8.434 9.214 0.407 1.00 0.83 N ATOM 998 CA LEU A 71 -8.228 8.306 -0.716 1.00 0.91 C ATOM 999 C LEU A 71 -9.373 7.307 -0.823 1.00 0.94 C ATOM 1000 O LEU A 71 -9.948 6.895 0.184 1.00 0.96 O ATOM 1001 CB LEU A 71 -6.894 7.565 -0.575 1.00 0.99 C ATOM 1002 CG LEU A 71 -6.766 6.675 0.665 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.732 5.583 0.428 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -6.388 7.503 1.884 1.00 1.91 C ATOM 0 H LEU A 71 -8.479 8.753 1.316 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.202 8.902 -1.628 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.745 6.948 -1.461 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -6.089 8.300 -0.559 1.00 0.99 H new ATOM 0 HG LEU A 71 -7.733 6.208 0.853 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -5.652 4.958 1.318 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -6.038 4.970 -0.419 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -4.764 6.038 0.216 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -6.302 6.852 2.754 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -5.433 7.998 1.706 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -7.157 8.253 2.067 1.00 1.91 H new ATOM 1010 N GLU A 72 -9.697 6.920 -2.053 1.00 0.99 N ATOM 1011 CA GLU A 72 -10.782 5.977 -2.293 1.00 1.05 C ATOM 1012 C GLU A 72 -10.293 4.541 -2.151 1.00 1.11 C ATOM 1013 O GLU A 72 -9.265 4.165 -2.714 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.368 6.190 -3.691 1.00 1.13 C ATOM 1015 CG GLU A 72 -12.781 5.656 -3.839 1.00 1.52 C ATOM 1016 CD GLU A 72 -13.328 5.827 -5.242 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -13.105 4.927 -6.079 1.00 1.82 O ATOM 1018 OE2 GLU A 72 -13.979 6.858 -5.505 1.00 2.11 O ATOM 0 H GLU A 72 -9.224 7.244 -2.897 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.558 6.155 -1.548 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -11.364 7.256 -3.920 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -10.725 5.704 -4.425 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -12.795 4.599 -3.575 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -13.435 6.169 -3.134 1.00 1.52 H new ATOM 1025 N THR A 73 -11.038 3.744 -1.392 1.00 1.12 N ATOM 1026 CA THR A 73 -10.680 2.350 -1.169 1.00 1.22 C ATOM 1027 C THR A 73 -11.366 1.435 -2.177 1.00 1.35 C ATOM 1028 O THR A 73 -12.151 1.890 -3.010 1.00 1.38 O ATOM 1029 CB THR A 73 -11.052 1.896 0.254 1.00 1.24 C ATOM 1030 OG1 THR A 73 -12.465 2.026 0.460 1.00 1.76 O ATOM 1031 CG2 THR A 73 -10.306 2.716 1.295 1.00 1.63 C ATOM 0 H THR A 73 -11.893 4.041 -0.922 1.00 1.12 H new ATOM 0 HA THR A 73 -9.600 2.279 -1.296 1.00 1.22 H new ATOM 0 HB THR A 73 -10.766 0.850 0.363 1.00 1.24 H new ATOM 0 HG1 THR A 73 -12.692 2.971 0.585 1.00 1.76 H new ATOM 0 HG21 THR A 73 -10.585 2.377 2.293 1.00 1.63 H new ATOM 0 HG22 THR A 73 -9.232 2.590 1.156 1.00 1.63 H new ATOM 0 HG23 THR A 73 -10.566 3.769 1.183 1.00 1.63 H new ATOM 1036 N MET A 74 -11.064 0.143 -2.094 1.00 1.45 N ATOM 1037 CA MET A 74 -11.650 -0.839 -2.998 1.00 1.60 C ATOM 1038 C MET A 74 -13.147 -0.980 -2.747 1.00 1.65 C ATOM 1039 O MET A 74 -13.909 -1.335 -3.648 1.00 1.81 O ATOM 1040 CB MET A 74 -10.963 -2.194 -2.824 1.00 1.70 C ATOM 1041 CG MET A 74 -11.111 -2.778 -1.429 1.00 2.32 C ATOM 1042 SD MET A 74 -10.163 -4.295 -1.207 1.00 3.10 S ATOM 1043 CE MET A 74 -8.495 -3.683 -1.436 1.00 3.79 C ATOM 0 H MET A 74 -10.417 -0.248 -1.409 1.00 1.45 H new ATOM 0 HA MET A 74 -11.501 -0.492 -4.021 1.00 1.60 H new ATOM 0 HB2 MET A 74 -11.376 -2.896 -3.548 1.00 1.70 H new ATOM 0 HB3 MET A 74 -9.903 -2.086 -3.053 1.00 1.70 H new ATOM 0 HG2 MET A 74 -10.787 -2.041 -0.694 1.00 2.32 H new ATOM 0 HG3 MET A 74 -12.164 -2.980 -1.234 1.00 2.32 H new ATOM 0 HE1 MET A 74 -7.790 -4.356 -0.947 1.00 3.79 H new ATOM 0 HE2 MET A 74 -8.269 -3.632 -2.501 1.00 3.79 H new ATOM 0 HE3 MET A 74 -8.409 -2.688 -0.999 1.00 3.79 H new ATOM 1053 N THR A 75 -13.563 -0.696 -1.518 1.00 1.57 N ATOM 1054 CA THR A 75 -14.968 -0.792 -1.140 1.00 1.67 C ATOM 1055 C THR A 75 -15.751 0.424 -1.619 1.00 1.56 C ATOM 1056 O THR A 75 -16.971 0.487 -1.462 1.00 1.74 O ATOM 1057 CB THR A 75 -15.128 -0.913 0.385 1.00 1.89 C ATOM 1058 OG1 THR A 75 -14.789 0.329 1.014 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.240 -2.017 0.935 1.00 2.00 C ATOM 0 H THR A 75 -12.945 -0.396 -0.764 1.00 1.57 H new ATOM 0 HA THR A 75 -15.363 -1.689 -1.617 1.00 1.67 H new ATOM 0 HB THR A 75 -16.168 -1.159 0.599 1.00 1.89 H new ATOM 0 HG1 THR A 75 -13.965 0.682 0.618 1.00 2.23 H new ATOM 0 HG21 THR A 75 -14.370 -2.084 2.015 1.00 2.00 H new ATOM 0 HG22 THR A 75 -14.515 -2.967 0.477 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.198 -1.793 0.708 1.00 2.00 H new ATOM 1064 N GLY A 76 -15.043 1.387 -2.199 1.00 1.40 N ATOM 1065 CA GLY A 76 -15.692 2.591 -2.682 1.00 1.47 C ATOM 1066 C GLY A 76 -15.823 3.644 -1.600 1.00 1.35 C ATOM 1067 O GLY A 76 -16.107 4.808 -1.886 1.00 1.39 O ATOM 0 H GLY A 76 -14.034 1.355 -2.343 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -15.122 2.999 -3.517 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -16.681 2.340 -3.064 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.615 3.232 -0.351 1.00 1.28 N ATOM 1072 CA GLU A 77 -15.708 4.142 0.783 1.00 1.22 C ATOM 1073 C GLU A 77 -14.479 5.044 0.855 1.00 1.12 C ATOM 1074 O GLU A 77 -13.356 4.600 0.615 1.00 1.11 O ATOM 1075 CB GLU A 77 -15.857 3.352 2.085 1.00 1.28 C ATOM 1076 CG GLU A 77 -15.977 4.230 3.321 1.00 1.30 C ATOM 1077 CD GLU A 77 -16.246 3.428 4.579 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -15.301 2.786 5.087 1.00 1.94 O ATOM 1079 OE2 GLU A 77 -17.398 3.445 5.060 1.00 1.66 O ATOM 0 H GLU A 77 -15.381 2.271 -0.101 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.589 4.770 0.646 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.739 2.716 2.015 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -14.997 2.693 2.200 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -15.057 4.801 3.448 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.782 4.950 3.174 1.00 1.30 H new ATOM 1086 N LYS A 78 -14.700 6.312 1.190 1.00 1.12 N ATOM 1087 CA LYS A 78 -13.613 7.278 1.291 1.00 1.06 C ATOM 1088 C LYS A 78 -13.051 7.325 2.708 1.00 0.97 C ATOM 1089 O LYS A 78 -13.790 7.534 3.672 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.102 8.669 0.880 1.00 1.19 C ATOM 1091 CG LYS A 78 -14.738 8.710 -0.503 1.00 1.29 C ATOM 1092 CD LYS A 78 -13.735 8.390 -1.601 1.00 1.78 C ATOM 1093 CE LYS A 78 -12.644 9.448 -1.694 1.00 2.39 C ATOM 1094 NZ LYS A 78 -13.203 10.803 -1.953 1.00 2.94 N ATOM 0 H LYS A 78 -15.623 6.694 1.396 1.00 1.12 H new ATOM 0 HA LYS A 78 -12.818 6.962 0.616 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -14.827 9.021 1.614 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -13.261 9.362 0.904 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -15.561 7.997 -0.545 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.163 9.698 -0.677 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.283 7.417 -1.408 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.253 8.317 -2.557 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -12.073 9.463 -0.766 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -11.949 9.184 -2.491 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -12.536 11.348 -2.536 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -14.109 10.714 -2.455 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -13.355 11.295 -1.049 1.00 2.94 H new ATOM 1108 N VAL A 79 -11.740 7.131 2.828 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.076 7.152 4.128 1.00 0.86 C ATOM 1110 C VAL A 79 -9.980 8.213 4.170 1.00 0.81 C ATOM 1111 O VAL A 79 -9.340 8.496 3.158 1.00 0.84 O ATOM 1112 CB VAL A 79 -10.459 5.779 4.462 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -11.544 4.720 4.578 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -9.432 5.384 3.414 1.00 1.05 C ATOM 0 H VAL A 79 -11.116 6.957 2.040 1.00 0.89 H new ATOM 0 HA VAL A 79 -11.838 7.393 4.870 1.00 0.86 H new ATOM 0 HB VAL A 79 -9.952 5.855 5.424 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.090 3.758 4.814 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.240 4.997 5.370 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.082 4.645 3.633 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.008 4.412 3.668 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -9.912 5.326 2.437 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -8.637 6.130 3.384 1.00 1.05 H new ATOM 1118 N LYS A 80 -9.773 8.800 5.346 1.00 0.79 N ATOM 1119 CA LYS A 80 -8.755 9.831 5.517 1.00 0.76 C ATOM 1120 C LYS A 80 -7.556 9.286 6.290 1.00 0.68 C ATOM 1121 O LYS A 80 -7.717 8.579 7.283 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.344 11.038 6.248 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.558 11.634 5.553 1.00 1.48 C ATOM 1124 CD LYS A 80 -11.155 12.778 6.356 1.00 1.82 C ATOM 1125 CE LYS A 80 -12.419 13.312 5.704 1.00 2.54 C ATOM 1126 NZ LYS A 80 -13.043 14.401 6.504 1.00 3.13 N ATOM 0 H LYS A 80 -10.296 8.579 6.193 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.416 10.143 4.529 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -9.623 10.740 7.259 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -8.576 11.806 6.343 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.273 11.993 4.564 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -11.311 10.860 5.406 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -11.381 12.436 7.366 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -10.424 13.581 6.447 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -12.183 13.684 4.707 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -13.134 12.499 5.579 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -13.902 14.736 6.023 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -13.292 14.040 7.447 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -12.371 15.189 6.602 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.354 9.620 5.824 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.132 9.157 6.472 1.00 0.62 C ATOM 1142 C ALA A 81 -4.014 10.189 6.370 1.00 0.58 C ATOM 1143 O ALA A 81 -3.878 10.879 5.360 1.00 0.60 O ATOM 1144 CB ALA A 81 -4.683 7.842 5.857 1.00 0.69 C ATOM 0 H ALA A 81 -6.202 10.207 5.004 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.352 9.008 7.529 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -3.770 7.504 6.347 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.464 7.093 5.989 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -4.492 7.984 4.793 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.217 10.289 7.430 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.097 11.220 7.466 1.00 0.56 C ATOM 1152 C VAL A 82 -0.788 10.498 7.160 1.00 0.50 C ATOM 1153 O VAL A 82 -0.354 9.633 7.920 1.00 0.48 O ATOM 1154 CB VAL A 82 -1.975 11.908 8.841 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -0.821 12.898 8.845 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -3.278 12.597 9.213 1.00 1.34 C ATOM 0 H VAL A 82 -3.328 9.733 8.278 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.289 11.979 6.707 1.00 0.56 H new ATOM 0 HB VAL A 82 -1.769 11.143 9.590 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -0.752 13.372 9.824 1.00 1.40 H new ATOM 0 HG12 VAL A 82 0.110 12.373 8.630 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -0.992 13.659 8.084 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -3.171 13.076 10.186 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -3.519 13.350 8.462 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -4.080 11.860 9.258 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.165 10.857 6.041 1.00 0.50 N ATOM 1161 CA VAL A 83 1.093 10.240 5.640 1.00 0.47 C ATOM 1162 C VAL A 83 2.263 11.201 5.829 1.00 0.45 C ATOM 1163 O VAL A 83 2.273 12.304 5.280 1.00 0.53 O ATOM 1164 CB VAL A 83 1.048 9.767 4.173 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.583 10.886 3.254 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.406 9.239 3.735 1.00 1.11 C ATOM 0 H VAL A 83 -0.510 11.570 5.398 1.00 0.50 H new ATOM 0 HA VAL A 83 1.239 9.372 6.283 1.00 0.47 H new ATOM 0 HB VAL A 83 0.327 8.953 4.104 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.560 10.526 2.225 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.416 11.207 3.548 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.271 11.728 3.329 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.351 8.911 2.697 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.151 10.030 3.827 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.690 8.398 4.367 1.00 1.11 H new ATOM 1170 N LYS A 84 3.246 10.772 6.612 1.00 0.41 N ATOM 1171 CA LYS A 84 4.427 11.585 6.884 1.00 0.43 C ATOM 1172 C LYS A 84 5.693 10.750 6.752 1.00 0.42 C ATOM 1173 O LYS A 84 5.672 9.538 6.966 1.00 0.44 O ATOM 1174 CB LYS A 84 4.357 12.174 8.293 1.00 0.48 C ATOM 1175 CG LYS A 84 3.019 12.816 8.626 1.00 0.78 C ATOM 1176 CD LYS A 84 2.920 13.174 10.103 1.00 0.91 C ATOM 1177 CE LYS A 84 3.927 14.246 10.493 1.00 1.51 C ATOM 1178 NZ LYS A 84 3.721 15.505 9.725 1.00 2.11 N ATOM 0 H LYS A 84 3.249 9.862 7.072 1.00 0.41 H new ATOM 0 HA LYS A 84 4.453 12.395 6.155 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.561 11.385 9.017 1.00 0.48 H new ATOM 0 HB3 LYS A 84 5.144 12.919 8.404 1.00 0.48 H new ATOM 0 HG2 LYS A 84 2.886 13.715 8.024 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.212 12.133 8.362 1.00 0.78 H new ATOM 0 HD2 LYS A 84 1.912 13.524 10.325 1.00 0.91 H new ATOM 0 HD3 LYS A 84 3.088 12.281 10.705 1.00 0.91 H new ATOM 0 HE2 LYS A 84 3.842 14.453 11.560 1.00 1.51 H new ATOM 0 HE3 LYS A 84 4.937 13.876 10.319 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 4.200 16.290 10.210 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 4.116 15.397 8.769 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 2.703 15.709 9.659 1.00 2.11 H new ATOM 1192 N MET A 85 6.793 11.402 6.398 1.00 0.48 N ATOM 1193 CA MET A 85 8.067 10.711 6.251 1.00 0.52 C ATOM 1194 C MET A 85 8.878 10.797 7.540 1.00 0.57 C ATOM 1195 O MET A 85 8.935 11.847 8.178 1.00 0.67 O ATOM 1196 CB MET A 85 8.863 11.303 5.085 1.00 0.68 C ATOM 1197 CG MET A 85 9.099 12.800 5.205 1.00 1.26 C ATOM 1198 SD MET A 85 10.038 13.470 3.819 1.00 1.83 S ATOM 1199 CE MET A 85 10.134 15.198 4.279 1.00 2.62 C ATOM 0 H MET A 85 6.829 12.404 6.208 1.00 0.48 H new ATOM 0 HA MET A 85 7.864 9.661 6.040 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.826 10.796 5.019 1.00 0.68 H new ATOM 0 HB3 MET A 85 8.332 11.101 4.155 1.00 0.68 H new ATOM 0 HG2 MET A 85 8.138 13.311 5.269 1.00 1.26 H new ATOM 0 HG3 MET A 85 9.632 13.006 6.133 1.00 1.26 H new ATOM 0 HE1 MET A 85 10.688 15.747 3.517 1.00 2.62 H new ATOM 0 HE2 MET A 85 9.128 15.609 4.363 1.00 2.62 H new ATOM 0 HE3 MET A 85 10.645 15.292 5.237 1.00 2.62 H new ATOM 1209 N GLU A 86 9.500 9.684 7.920 1.00 0.60 N ATOM 1210 CA GLU A 86 10.302 9.639 9.137 1.00 0.73 C ATOM 1211 C GLU A 86 11.785 9.763 8.809 1.00 0.84 C ATOM 1212 O GLU A 86 12.616 9.973 9.694 1.00 1.00 O ATOM 1213 CB GLU A 86 10.032 8.342 9.907 1.00 0.77 C ATOM 1214 CG GLU A 86 10.687 8.295 11.279 1.00 1.07 C ATOM 1215 CD GLU A 86 10.182 9.385 12.205 1.00 1.44 C ATOM 1216 OE1 GLU A 86 9.166 9.155 12.895 1.00 1.48 O ATOM 1217 OE2 GLU A 86 10.803 10.467 12.241 1.00 2.06 O ATOM 0 H GLU A 86 9.464 8.805 7.404 1.00 0.60 H new ATOM 0 HA GLU A 86 10.018 10.483 9.766 1.00 0.73 H new ATOM 0 HB2 GLU A 86 8.956 8.217 10.024 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.388 7.498 9.316 1.00 0.77 H new ATOM 0 HG2 GLU A 86 10.500 7.322 11.733 1.00 1.07 H new ATOM 0 HG3 GLU A 86 11.767 8.392 11.165 1.00 1.07 H new ATOM 1224 N GLY A 87 12.110 9.635 7.526 1.00 0.80 N ATOM 1225 CA GLY A 87 13.491 9.747 7.095 1.00 0.95 C ATOM 1226 C GLY A 87 14.047 8.459 6.515 1.00 0.81 C ATOM 1227 O GLY A 87 14.277 7.490 7.241 1.00 1.62 O ATOM 0 H GLY A 87 11.441 9.456 6.777 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.568 10.537 6.347 1.00 0.95 H new ATOM 0 HA3 GLY A 87 14.105 10.050 7.943 1.00 0.95 H new ATOM 1231 N ASP A 88 14.262 8.456 5.200 1.00 0.89 N ATOM 1232 CA ASP A 88 14.810 7.303 4.506 1.00 1.05 C ATOM 1233 C ASP A 88 13.991 6.052 4.790 1.00 0.98 C ATOM 1234 O ASP A 88 12.762 6.060 4.706 1.00 1.56 O ATOM 1235 CB ASP A 88 16.260 7.083 4.947 1.00 1.46 C ATOM 1236 CG ASP A 88 17.004 8.385 5.179 1.00 2.14 C ATOM 1237 OD1 ASP A 88 16.955 8.902 6.315 1.00 2.84 O ATOM 1238 OD2 ASP A 88 17.635 8.886 4.224 1.00 2.57 O ATOM 0 H ASP A 88 14.061 9.251 4.593 1.00 0.89 H new ATOM 0 HA ASP A 88 14.774 7.497 3.434 1.00 1.05 H new ATOM 0 HB2 ASP A 88 16.271 6.494 5.864 1.00 1.46 H new ATOM 0 HB3 ASP A 88 16.782 6.501 4.188 1.00 1.46 H new ATOM 1243 N ASN A 89 14.709 4.976 5.080 1.00 0.54 N ATOM 1244 CA ASN A 89 14.141 3.677 5.419 1.00 0.51 C ATOM 1245 C ASN A 89 12.993 3.753 6.424 1.00 0.46 C ATOM 1246 O ASN A 89 12.458 2.721 6.802 1.00 0.55 O ATOM 1247 CB ASN A 89 15.242 2.770 5.970 1.00 0.61 C ATOM 1248 CG ASN A 89 15.814 3.281 7.278 1.00 1.42 C ATOM 1249 OD1 ASN A 89 15.340 2.926 8.356 1.00 2.19 O ATOM 1250 ND2 ASN A 89 16.843 4.116 7.188 1.00 2.22 N ATOM 0 H ASN A 89 15.729 4.982 5.086 1.00 0.54 H new ATOM 0 HA ASN A 89 13.722 3.270 4.499 1.00 0.51 H new ATOM 0 HB2 ASN A 89 14.842 1.767 6.119 1.00 0.61 H new ATOM 0 HB3 ASN A 89 16.042 2.687 5.235 1.00 0.61 H new ATOM 0 HD21 ASN A 89 17.272 4.490 8.035 1.00 2.22 H new ATOM 0 HD22 ASN A 89 17.204 4.384 6.272 1.00 2.22 H new ATOM 1255 N LYS A 90 12.613 4.944 6.869 1.00 0.46 N ATOM 1256 CA LYS A 90 11.524 5.054 7.826 1.00 0.49 C ATOM 1257 C LYS A 90 10.456 6.058 7.394 1.00 0.46 C ATOM 1258 O LYS A 90 10.743 7.228 7.141 1.00 0.53 O ATOM 1259 CB LYS A 90 12.080 5.438 9.194 1.00 0.70 C ATOM 1260 CG LYS A 90 13.075 4.440 9.744 1.00 0.64 C ATOM 1261 CD LYS A 90 12.514 3.031 9.771 1.00 1.25 C ATOM 1262 CE LYS A 90 13.350 2.114 10.648 1.00 1.43 C ATOM 1263 NZ LYS A 90 12.867 0.707 10.601 1.00 2.05 N ATOM 0 H LYS A 90 13.034 5.830 6.589 1.00 0.46 H new ATOM 0 HA LYS A 90 11.039 4.079 7.878 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.559 6.414 9.121 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.254 5.540 9.897 1.00 0.70 H new ATOM 0 HG2 LYS A 90 13.980 4.458 9.136 1.00 0.64 H new ATOM 0 HG3 LYS A 90 13.363 4.734 10.753 1.00 0.64 H new ATOM 0 HD2 LYS A 90 11.489 3.054 10.140 1.00 1.25 H new ATOM 0 HD3 LYS A 90 12.479 2.633 8.757 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.390 2.152 10.324 1.00 1.43 H new ATOM 0 HE3 LYS A 90 13.323 2.473 11.677 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 13.464 0.114 11.213 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 11.883 0.667 10.934 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 12.916 0.355 9.623 1.00 2.05 H new ATOM 1277 N MET A 91 9.224 5.568 7.306 1.00 0.42 N ATOM 1278 CA MET A 91 8.069 6.390 6.953 1.00 0.45 C ATOM 1279 C MET A 91 6.881 5.987 7.820 1.00 0.42 C ATOM 1280 O MET A 91 6.562 4.803 7.929 1.00 0.46 O ATOM 1281 CB MET A 91 7.718 6.231 5.474 1.00 0.49 C ATOM 1282 CG MET A 91 8.741 6.846 4.534 1.00 1.03 C ATOM 1283 SD MET A 91 8.244 6.741 2.803 1.00 1.51 S ATOM 1284 CE MET A 91 6.748 7.725 2.817 1.00 1.96 C ATOM 0 H MET A 91 8.996 4.589 7.477 1.00 0.42 H new ATOM 0 HA MET A 91 8.314 7.437 7.130 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.619 5.170 5.245 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.746 6.689 5.289 1.00 0.49 H new ATOM 0 HG2 MET A 91 8.893 7.892 4.802 1.00 1.03 H new ATOM 0 HG3 MET A 91 9.698 6.342 4.665 1.00 1.03 H new ATOM 0 HE1 MET A 91 6.548 8.097 1.812 1.00 1.96 H new ATOM 0 HE2 MET A 91 5.912 7.111 3.150 1.00 1.96 H new ATOM 0 HE3 MET A 91 6.873 8.568 3.497 1.00 1.96 H new ATOM 1294 N VAL A 92 6.227 6.964 8.439 1.00 0.40 N ATOM 1295 CA VAL A 92 5.095 6.672 9.312 1.00 0.39 C ATOM 1296 C VAL A 92 3.774 7.182 8.744 1.00 0.38 C ATOM 1297 O VAL A 92 3.587 8.383 8.540 1.00 0.42 O ATOM 1298 CB VAL A 92 5.303 7.280 10.712 1.00 0.45 C ATOM 1299 CG1 VAL A 92 4.162 6.900 11.642 1.00 1.46 C ATOM 1300 CG2 VAL A 92 6.641 6.842 11.289 1.00 1.45 C ATOM 0 H VAL A 92 6.457 7.954 8.355 1.00 0.40 H new ATOM 0 HA VAL A 92 5.042 5.586 9.384 1.00 0.39 H new ATOM 0 HB VAL A 92 5.310 8.366 10.616 1.00 0.45 H new ATOM 0 HG11 VAL A 92 4.331 7.341 12.624 1.00 1.46 H new ATOM 0 HG12 VAL A 92 3.222 7.271 11.235 1.00 1.46 H new ATOM 0 HG13 VAL A 92 4.114 5.815 11.735 1.00 1.46 H new ATOM 0 HG21 VAL A 92 6.772 7.281 12.278 1.00 1.45 H new ATOM 0 HG22 VAL A 92 6.665 5.755 11.368 1.00 1.45 H new ATOM 0 HG23 VAL A 92 7.446 7.176 10.635 1.00 1.45 H new ATOM 1304 N THR A 93 2.862 6.248 8.493 1.00 0.37 N ATOM 1305 CA THR A 93 1.536 6.568 7.978 1.00 0.40 C ATOM 1306 C THR A 93 0.474 5.790 8.749 1.00 0.41 C ATOM 1307 O THR A 93 0.582 4.576 8.910 1.00 0.44 O ATOM 1308 CB THR A 93 1.411 6.252 6.474 1.00 0.44 C ATOM 1309 OG1 THR A 93 0.036 6.308 6.075 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.984 4.881 6.154 1.00 0.47 C ATOM 0 H THR A 93 3.021 5.251 8.640 1.00 0.37 H new ATOM 0 HA THR A 93 1.384 7.639 8.112 1.00 0.40 H new ATOM 0 HB THR A 93 1.981 6.999 5.922 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.035 6.108 5.118 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.883 4.684 5.087 1.00 0.47 H new ATOM 0 HG22 THR A 93 3.038 4.854 6.429 1.00 0.47 H new ATOM 0 HG23 THR A 93 1.443 4.120 6.716 1.00 0.47 H new ATOM 1315 N THR A 94 -0.549 6.489 9.232 1.00 0.42 N ATOM 1316 CA THR A 94 -1.609 5.839 9.994 1.00 0.46 C ATOM 1317 C THR A 94 -2.988 6.098 9.396 1.00 0.51 C ATOM 1318 O THR A 94 -3.363 7.242 9.138 1.00 0.57 O ATOM 1319 CB THR A 94 -1.613 6.299 11.464 1.00 0.52 C ATOM 1320 OG1 THR A 94 -1.269 7.688 11.547 1.00 1.23 O ATOM 1321 CG2 THR A 94 -0.639 5.474 12.292 1.00 1.12 C ATOM 0 H THR A 94 -0.666 7.495 9.111 1.00 0.42 H new ATOM 0 HA THR A 94 -1.399 4.770 9.948 1.00 0.46 H new ATOM 0 HB THR A 94 -2.616 6.153 11.864 1.00 0.52 H new ATOM 0 HG1 THR A 94 -1.276 7.971 12.485 1.00 1.23 H new ATOM 0 HG21 THR A 94 -0.659 5.817 13.326 1.00 1.12 H new ATOM 0 HG22 THR A 94 -0.927 4.423 12.252 1.00 1.12 H new ATOM 0 HG23 THR A 94 0.368 5.590 11.891 1.00 1.12 H new ATOM 1326 N PHE A 95 -3.733 5.019 9.178 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.079 5.109 8.630 1.00 0.61 C ATOM 1328 C PHE A 95 -6.013 4.177 9.400 1.00 0.67 C ATOM 1329 O PHE A 95 -5.759 2.977 9.503 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.085 4.762 7.135 1.00 0.73 C ATOM 1331 CG PHE A 95 -4.817 3.313 6.835 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.541 2.786 6.961 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -5.844 2.479 6.424 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.296 1.455 6.682 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -5.606 1.147 6.143 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.331 0.635 6.273 1.00 0.96 C ATOM 0 H PHE A 95 -3.423 4.067 9.374 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.432 6.135 8.737 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.053 5.035 6.714 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.335 5.370 6.630 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -2.729 3.423 7.281 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -6.844 2.875 6.322 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.298 1.056 6.783 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.416 0.508 5.822 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.142 -0.406 6.055 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.084 4.739 9.955 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.038 3.950 10.726 1.00 0.83 C ATOM 1348 C LYS A 96 -7.318 3.201 11.847 1.00 0.85 C ATOM 1349 O LYS A 96 -6.263 3.636 12.311 1.00 1.43 O ATOM 1350 CB LYS A 96 -8.772 2.963 9.810 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.346 3.613 8.560 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.078 2.607 7.685 1.00 1.53 C ATOM 1353 CE LYS A 96 -11.406 2.193 8.299 1.00 1.76 C ATOM 1354 NZ LYS A 96 -12.336 3.347 8.437 1.00 2.52 N ATOM 0 H LYS A 96 -7.311 5.731 9.886 1.00 0.74 H new ATOM 0 HA LYS A 96 -8.771 4.622 11.171 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.084 2.171 9.515 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -9.580 2.491 10.369 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.031 4.411 8.847 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -8.541 4.074 7.988 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -10.251 3.039 6.699 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -9.453 1.726 7.541 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -11.869 1.425 7.679 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -11.230 1.749 9.279 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -13.313 2.998 8.513 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -12.094 3.888 9.292 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -12.252 3.962 7.603 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.882 2.079 12.278 1.00 0.78 N ATOM 1369 CA GLY A 97 -7.265 1.304 13.341 1.00 0.80 C ATOM 1370 C GLY A 97 -6.143 0.415 12.840 1.00 0.70 C ATOM 1371 O GLY A 97 -5.677 -0.470 13.559 1.00 0.83 O ATOM 0 H GLY A 97 -8.752 1.692 11.913 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.875 1.982 14.100 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -8.024 0.688 13.824 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.706 0.650 11.605 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.629 -0.135 11.011 1.00 0.50 C ATOM 1377 C ILE A 98 -3.315 0.641 11.022 1.00 0.45 C ATOM 1378 O ILE A 98 -3.273 1.813 10.647 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.962 -0.532 9.560 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.383 -1.100 9.468 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.945 -1.540 9.038 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -6.625 -2.296 10.365 1.00 1.45 C ATOM 0 H ILE A 98 -6.082 1.378 10.997 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.522 -1.037 11.614 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.912 0.361 8.938 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -7.095 -0.315 9.725 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.583 -1.386 8.435 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -4.194 -1.810 8.012 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.949 -1.099 9.065 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.964 -2.433 9.663 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -7.652 -2.640 10.243 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -5.939 -3.099 10.094 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -6.458 -2.011 11.404 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.242 -0.017 11.451 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.930 0.617 11.501 1.00 0.39 C ATOM 1388 C LYS A 99 -0.091 0.207 10.298 1.00 0.37 C ATOM 1389 O LYS A 99 0.162 -0.978 10.081 1.00 0.40 O ATOM 1390 CB LYS A 99 -0.197 0.242 12.789 1.00 0.42 C ATOM 1391 CG LYS A 99 0.960 1.173 13.117 1.00 0.95 C ATOM 1392 CD LYS A 99 1.564 0.859 14.477 1.00 1.46 C ATOM 1393 CE LYS A 99 2.244 -0.502 14.487 1.00 2.05 C ATOM 1394 NZ LYS A 99 2.849 -0.810 15.812 1.00 2.71 N ATOM 0 H LYS A 99 -2.256 -0.986 11.768 1.00 0.41 H new ATOM 0 HA LYS A 99 -1.078 1.697 11.480 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.906 0.249 13.617 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.180 -0.777 12.701 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.728 1.085 12.348 1.00 0.95 H new ATOM 0 HG3 LYS A 99 0.612 2.206 13.103 1.00 0.95 H new ATOM 0 HD2 LYS A 99 2.288 1.630 14.741 1.00 1.46 H new ATOM 0 HD3 LYS A 99 0.783 0.882 15.237 1.00 1.46 H new ATOM 0 HE2 LYS A 99 1.517 -1.273 14.232 1.00 2.05 H new ATOM 0 HE3 LYS A 99 3.018 -0.527 13.720 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 3.302 -1.745 15.778 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 3.561 -0.089 16.045 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 2.107 -0.812 16.541 1.00 2.71 H new ATOM 1408 N SER A 100 0.341 1.192 9.520 1.00 0.36 N ATOM 1409 CA SER A 100 1.147 0.922 8.339 1.00 0.36 C ATOM 1410 C SER A 100 2.496 1.633 8.413 1.00 0.34 C ATOM 1411 O SER A 100 2.563 2.857 8.513 1.00 0.34 O ATOM 1412 CB SER A 100 0.395 1.352 7.078 1.00 0.40 C ATOM 1413 OG SER A 100 -0.065 2.686 7.184 1.00 1.23 O ATOM 0 H SER A 100 0.147 2.180 9.685 1.00 0.36 H new ATOM 0 HA SER A 100 1.333 -0.151 8.298 1.00 0.36 H new ATOM 0 HB2 SER A 100 1.050 1.259 6.212 1.00 0.40 H new ATOM 0 HB3 SER A 100 -0.451 0.685 6.911 1.00 0.40 H new ATOM 0 HG SER A 100 0.377 3.125 7.941 1.00 1.23 H new ATOM 1419 N VAL A 101 3.569 0.848 8.360 1.00 0.34 N ATOM 1420 CA VAL A 101 4.922 1.391 8.402 1.00 0.33 C ATOM 1421 C VAL A 101 5.721 0.905 7.199 1.00 0.33 C ATOM 1422 O VAL A 101 5.865 -0.300 6.986 1.00 0.36 O ATOM 1423 CB VAL A 101 5.657 0.992 9.699 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.112 1.436 9.653 1.00 0.49 C ATOM 1425 CG2 VAL A 101 4.955 1.580 10.913 1.00 0.59 C ATOM 0 H VAL A 101 3.526 -0.169 8.288 1.00 0.34 H new ATOM 0 HA VAL A 101 4.839 2.478 8.377 1.00 0.33 H new ATOM 0 HB VAL A 101 5.636 -0.095 9.783 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.611 1.144 10.577 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.610 0.963 8.807 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.158 2.519 9.542 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.488 1.288 11.818 1.00 0.59 H new ATOM 0 HG22 VAL A 101 4.942 2.667 10.835 1.00 0.59 H new ATOM 0 HG23 VAL A 101 3.932 1.207 10.958 1.00 0.59 H new ATOM 1429 N THR A 102 6.240 1.845 6.417 1.00 0.35 N ATOM 1430 CA THR A 102 7.010 1.504 5.229 1.00 0.40 C ATOM 1431 C THR A 102 8.471 1.909 5.369 1.00 0.37 C ATOM 1432 O THR A 102 8.780 3.033 5.769 1.00 0.39 O ATOM 1433 CB THR A 102 6.424 2.177 3.974 1.00 0.50 C ATOM 1434 OG1 THR A 102 5.029 1.881 3.866 1.00 0.55 O ATOM 1435 CG2 THR A 102 7.144 1.705 2.719 1.00 0.59 C ATOM 0 H THR A 102 6.141 2.846 6.585 1.00 0.35 H new ATOM 0 HA THR A 102 6.952 0.421 5.122 1.00 0.40 H new ATOM 0 HB THR A 102 6.561 3.254 4.070 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.664 2.314 3.066 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.712 2.194 1.846 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.202 1.957 2.790 1.00 0.59 H new ATOM 0 HG23 THR A 102 7.034 0.625 2.621 1.00 0.59 H new ATOM 1440 N GLU A 103 9.366 0.984 5.039 1.00 0.37 N ATOM 1441 CA GLU A 103 10.795 1.243 5.110 1.00 0.38 C ATOM 1442 C GLU A 103 11.336 1.575 3.722 1.00 0.41 C ATOM 1443 O GLU A 103 11.237 0.763 2.799 1.00 0.47 O ATOM 1444 CB GLU A 103 11.527 0.030 5.696 1.00 0.43 C ATOM 1445 CG GLU A 103 13.042 0.113 5.599 1.00 1.12 C ATOM 1446 CD GLU A 103 13.713 -1.227 5.829 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.849 -1.996 4.854 1.00 2.10 O ATOM 1448 OE2 GLU A 103 14.105 -1.505 6.980 1.00 2.08 O ATOM 0 H GLU A 103 9.124 0.046 4.719 1.00 0.37 H new ATOM 0 HA GLU A 103 10.966 2.097 5.765 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.246 -0.079 6.744 1.00 0.43 H new ATOM 0 HB3 GLU A 103 11.189 -0.869 5.180 1.00 0.43 H new ATOM 0 HG2 GLU A 103 13.320 0.491 4.615 1.00 1.12 H new ATOM 0 HG3 GLU A 103 13.411 0.831 6.332 1.00 1.12 H new ATOM 1455 N PHE A 104 11.907 2.770 3.580 1.00 0.43 N ATOM 1456 CA PHE A 104 12.438 3.211 2.291 1.00 0.49 C ATOM 1457 C PHE A 104 13.938 2.945 2.135 1.00 0.52 C ATOM 1458 O PHE A 104 14.781 3.554 2.812 1.00 0.62 O ATOM 1459 CB PHE A 104 12.174 4.703 2.118 1.00 0.64 C ATOM 1460 CG PHE A 104 11.713 5.064 0.742 1.00 0.56 C ATOM 1461 CD1 PHE A 104 12.619 5.167 -0.300 1.00 0.69 C ATOM 1462 CD2 PHE A 104 10.374 5.292 0.492 1.00 0.61 C ATOM 1463 CE1 PHE A 104 12.195 5.494 -1.571 1.00 0.78 C ATOM 1464 CE2 PHE A 104 9.942 5.619 -0.777 1.00 0.79 C ATOM 1465 CZ PHE A 104 10.853 5.723 -1.812 1.00 0.83 C ATOM 0 H PHE A 104 12.014 3.446 4.336 1.00 0.43 H new ATOM 0 HA PHE A 104 11.927 2.631 1.523 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.421 5.018 2.841 1.00 0.64 H new ATOM 0 HB3 PHE A 104 13.086 5.255 2.345 1.00 0.64 H new ATOM 0 HD1 PHE A 104 13.668 4.989 -0.116 1.00 0.69 H new ATOM 0 HD2 PHE A 104 9.658 5.214 1.297 1.00 0.61 H new ATOM 0 HE1 PHE A 104 12.910 5.571 -2.377 1.00 0.78 H new ATOM 0 HE2 PHE A 104 8.892 5.794 -0.962 1.00 0.79 H new ATOM 0 HZ PHE A 104 10.517 5.982 -2.805 1.00 0.83 H new ATOM 1475 N ASN A 105 14.257 2.071 1.184 1.00 0.53 N ATOM 1476 CA ASN A 105 15.636 1.716 0.875 1.00 0.62 C ATOM 1477 C ASN A 105 15.908 1.927 -0.608 1.00 0.67 C ATOM 1478 O ASN A 105 14.992 1.860 -1.428 1.00 0.81 O ATOM 1479 CB ASN A 105 15.920 0.260 1.255 1.00 0.69 C ATOM 1480 CG ASN A 105 16.391 0.105 2.689 1.00 1.24 C ATOM 1481 OD1 ASN A 105 15.891 0.955 3.576 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 17.195 -0.776 2.996 1.00 1.53 N flip ATOM 0 H ASN A 105 13.566 1.590 0.607 1.00 0.53 H new ATOM 0 HA ASN A 105 16.295 2.360 1.457 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.016 -0.331 1.109 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.677 -0.144 0.583 1.00 0.69 H new ATOM 0 HD21 ASN A 105 17.555 -1.409 2.282 1.00 1.53 H new ATOM 0 HD22 ASN A 105 17.501 -0.872 3.964 1.00 1.53 H new ATOM 1487 N GLY A 106 17.164 2.182 -0.953 1.00 0.78 N ATOM 1488 CA GLY A 106 17.514 2.393 -2.345 1.00 0.82 C ATOM 1489 C GLY A 106 17.739 1.092 -3.091 1.00 0.94 C ATOM 1490 O GLY A 106 18.493 1.050 -4.064 1.00 1.44 O ATOM 0 H GLY A 106 17.943 2.246 -0.298 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.720 2.956 -2.835 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.417 3.001 -2.401 1.00 0.82 H new ATOM 1494 N ASP A 107 17.080 0.024 -2.639 1.00 0.74 N ATOM 1495 CA ASP A 107 17.216 -1.286 -3.269 1.00 0.93 C ATOM 1496 C ASP A 107 15.949 -2.122 -3.098 1.00 0.75 C ATOM 1497 O ASP A 107 15.447 -2.705 -4.058 1.00 0.67 O ATOM 1498 CB ASP A 107 18.411 -2.039 -2.682 1.00 1.22 C ATOM 1499 CG ASP A 107 19.730 -1.346 -2.961 1.00 1.91 C ATOM 1500 OD1 ASP A 107 20.336 -1.626 -4.015 1.00 2.43 O ATOM 1501 OD2 ASP A 107 20.157 -0.522 -2.124 1.00 2.55 O ATOM 0 H ASP A 107 16.447 0.042 -1.839 1.00 0.74 H new ATOM 0 HA ASP A 107 17.378 -1.123 -4.334 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.279 -2.140 -1.605 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.440 -3.047 -3.096 1.00 1.22 H new ATOM 1506 N THR A 108 15.434 -2.174 -1.870 1.00 0.74 N ATOM 1507 CA THR A 108 14.234 -2.951 -1.578 1.00 0.63 C ATOM 1508 C THR A 108 13.301 -2.202 -0.630 1.00 0.59 C ATOM 1509 O THR A 108 13.695 -1.817 0.468 1.00 0.77 O ATOM 1510 CB THR A 108 14.596 -4.311 -0.949 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.494 -5.024 -1.806 1.00 1.39 O ATOM 1512 CG2 THR A 108 13.352 -5.152 -0.706 1.00 1.53 C ATOM 0 H THR A 108 15.829 -1.688 -1.065 1.00 0.74 H new ATOM 0 HA THR A 108 13.723 -3.112 -2.527 1.00 0.63 H new ATOM 0 HB THR A 108 15.078 -4.120 0.010 1.00 0.75 H new ATOM 0 HG1 THR A 108 15.720 -5.886 -1.398 1.00 1.39 H new ATOM 0 HG21 THR A 108 13.638 -6.105 -0.262 1.00 1.53 H new ATOM 0 HG22 THR A 108 12.682 -4.623 -0.029 1.00 1.53 H new ATOM 0 HG23 THR A 108 12.843 -5.331 -1.653 1.00 1.53 H new ATOM 1517 N ILE A 109 12.059 -2.005 -1.062 1.00 0.45 N ATOM 1518 CA ILE A 109 11.065 -1.307 -0.253 1.00 0.44 C ATOM 1519 C ILE A 109 10.094 -2.299 0.387 1.00 0.37 C ATOM 1520 O ILE A 109 9.461 -3.096 -0.305 1.00 0.36 O ATOM 1521 CB ILE A 109 10.282 -0.276 -1.096 1.00 0.51 C ATOM 1522 CG1 ILE A 109 11.168 0.928 -1.436 1.00 0.72 C ATOM 1523 CG2 ILE A 109 9.026 0.181 -0.368 1.00 0.70 C ATOM 1524 CD1 ILE A 109 12.297 0.610 -2.393 1.00 1.54 C ATOM 0 H ILE A 109 11.716 -2.320 -1.970 1.00 0.45 H new ATOM 0 HA ILE A 109 11.598 -0.775 0.535 1.00 0.44 H new ATOM 0 HB ILE A 109 9.981 -0.760 -2.025 1.00 0.51 H new ATOM 0 HG12 ILE A 109 10.547 1.712 -1.870 1.00 0.72 H new ATOM 0 HG13 ILE A 109 11.589 1.329 -0.514 1.00 0.72 H new ATOM 0 HG21 ILE A 109 8.493 0.906 -0.983 1.00 0.70 H new ATOM 0 HG22 ILE A 109 8.382 -0.678 -0.179 1.00 0.70 H new ATOM 0 HG23 ILE A 109 9.302 0.642 0.580 1.00 0.70 H new ATOM 0 HD11 ILE A 109 12.878 1.513 -2.584 1.00 1.54 H new ATOM 0 HD12 ILE A 109 12.943 -0.151 -1.954 1.00 1.54 H new ATOM 0 HD13 ILE A 109 11.885 0.239 -3.331 1.00 1.54 H new ATOM 1528 N THR A 110 9.983 -2.245 1.714 1.00 0.37 N ATOM 1529 CA THR A 110 9.097 -3.150 2.446 1.00 0.34 C ATOM 1530 C THR A 110 7.967 -2.394 3.142 1.00 0.32 C ATOM 1531 O THR A 110 8.183 -1.319 3.702 1.00 0.37 O ATOM 1532 CB THR A 110 9.873 -3.959 3.503 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.978 -4.635 2.891 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.967 -4.976 4.179 1.00 0.41 C ATOM 0 H THR A 110 10.494 -1.587 2.302 1.00 0.37 H new ATOM 0 HA THR A 110 8.671 -3.828 1.707 1.00 0.34 H new ATOM 0 HB THR A 110 10.243 -3.265 4.257 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.466 -5.145 3.570 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.537 -5.535 4.921 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.142 -4.459 4.669 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.571 -5.664 3.432 1.00 0.41 H new ATOM 1539 N ASN A 111 6.763 -2.963 3.108 1.00 0.31 N ATOM 1540 CA ASN A 111 5.609 -2.341 3.751 1.00 0.33 C ATOM 1541 C ASN A 111 5.037 -3.257 4.830 1.00 0.31 C ATOM 1542 O ASN A 111 4.950 -4.470 4.641 1.00 0.32 O ATOM 1543 CB ASN A 111 4.534 -2.010 2.714 1.00 0.39 C ATOM 1544 CG ASN A 111 3.339 -1.300 3.316 1.00 1.15 C ATOM 1545 OD1 ASN A 111 2.357 -2.072 3.762 1.00 1.89 O flip ATOM 1546 ND2 ASN A 111 3.297 -0.071 3.380 1.00 1.95 N flip ATOM 0 H ASN A 111 6.563 -3.849 2.644 1.00 0.31 H new ATOM 0 HA ASN A 111 5.937 -1.414 4.222 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.968 -1.384 1.934 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.201 -2.931 2.235 1.00 0.39 H new ATOM 0 HD21 ASN A 111 4.075 0.485 3.025 1.00 1.95 H new ATOM 0 HD22 ASN A 111 2.484 0.391 3.788 1.00 1.95 H new ATOM 1551 N THR A 112 4.643 -2.673 5.961 1.00 0.31 N ATOM 1552 CA THR A 112 4.096 -3.451 7.070 1.00 0.30 C ATOM 1553 C THR A 112 2.666 -3.039 7.414 1.00 0.30 C ATOM 1554 O THR A 112 2.411 -1.894 7.781 1.00 0.32 O ATOM 1555 CB THR A 112 4.958 -3.305 8.338 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.329 -3.094 7.980 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.848 -4.545 9.212 1.00 0.57 C ATOM 0 H THR A 112 4.692 -1.669 6.132 1.00 0.31 H new ATOM 0 HA THR A 112 4.098 -4.488 6.735 1.00 0.30 H new ATOM 0 HB THR A 112 4.592 -2.446 8.900 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.447 -2.173 7.666 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.465 -4.419 10.102 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.809 -4.690 9.509 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.191 -5.416 8.653 1.00 0.57 H new ATOM 1562 N MET A 113 1.741 -3.987 7.293 1.00 0.31 N ATOM 1563 CA MET A 113 0.339 -3.746 7.614 1.00 0.33 C ATOM 1564 C MET A 113 -0.130 -4.760 8.652 1.00 0.33 C ATOM 1565 O MET A 113 -0.089 -5.965 8.409 1.00 0.35 O ATOM 1566 CB MET A 113 -0.530 -3.845 6.359 1.00 0.36 C ATOM 1567 CG MET A 113 -0.283 -2.731 5.357 1.00 0.45 C ATOM 1568 SD MET A 113 -1.236 -2.940 3.841 1.00 0.55 S ATOM 1569 CE MET A 113 -0.737 -1.488 2.920 1.00 1.51 C ATOM 0 H MET A 113 1.940 -4.935 6.973 1.00 0.31 H new ATOM 0 HA MET A 113 0.242 -2.739 8.019 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.346 -4.804 5.875 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.580 -3.832 6.652 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.537 -1.774 5.813 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.779 -2.696 5.113 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.500 -1.247 2.180 1.00 1.51 H new ATOM 0 HE2 MET A 113 -0.616 -0.647 3.603 1.00 1.51 H new ATOM 0 HE3 MET A 113 0.209 -1.684 2.416 1.00 1.51 H new ATOM 1579 N THR A 114 -0.581 -4.273 9.801 1.00 0.34 N ATOM 1580 CA THR A 114 -1.029 -5.161 10.867 1.00 0.35 C ATOM 1581 C THR A 114 -2.429 -4.810 11.360 1.00 0.39 C ATOM 1582 O THR A 114 -2.697 -3.673 11.749 1.00 0.43 O ATOM 1583 CB THR A 114 -0.057 -5.125 12.063 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.267 -5.459 11.630 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.494 -6.095 13.151 1.00 0.56 C ATOM 0 H THR A 114 -0.646 -3.278 10.018 1.00 0.34 H new ATOM 0 HA THR A 114 -1.052 -6.163 10.439 1.00 0.35 H new ATOM 0 HB THR A 114 -0.064 -4.115 12.473 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.878 -5.432 12.396 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.209 -6.050 13.983 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.490 -5.824 13.502 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.515 -7.108 12.749 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.316 -5.803 11.340 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.682 -5.617 11.812 1.00 0.50 C ATOM 1592 C LEU A 115 -5.027 -6.692 12.836 1.00 0.60 C ATOM 1593 O LEU A 115 -5.064 -7.880 12.517 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.678 -5.645 10.644 1.00 0.56 C ATOM 1595 CG LEU A 115 -5.629 -6.890 9.752 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -6.899 -6.994 8.921 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -4.409 -6.858 8.845 1.00 1.85 C ATOM 0 H LEU A 115 -3.111 -6.743 11.002 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.754 -4.638 12.287 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -6.686 -5.551 11.049 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.502 -4.768 10.021 1.00 0.56 H new ATOM 0 HG LEU A 115 -5.555 -7.767 10.395 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -6.851 -7.883 8.292 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.762 -7.064 9.583 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -6.996 -6.109 8.292 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -4.396 -7.752 8.221 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -4.451 -5.973 8.210 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -3.505 -6.826 9.453 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.271 -6.267 14.071 1.00 0.69 N ATOM 1604 CA GLY A 116 -5.595 -7.208 15.127 1.00 0.84 C ATOM 1605 C GLY A 116 -4.384 -8.010 15.566 1.00 0.93 C ATOM 1606 O GLY A 116 -3.773 -7.711 16.592 1.00 1.80 O ATOM 0 H GLY A 116 -5.250 -5.289 14.359 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.001 -6.667 15.982 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.374 -7.888 14.781 1.00 0.84 H new ATOM 1610 N ASP A 117 -4.038 -9.029 14.785 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.890 -9.878 15.088 1.00 0.54 C ATOM 1612 C ASP A 117 -2.264 -10.422 13.806 1.00 0.50 C ATOM 1613 O ASP A 117 -1.337 -11.232 13.848 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.309 -11.038 15.996 1.00 0.61 C ATOM 1615 CG ASP A 117 -3.781 -10.568 17.358 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -2.936 -10.439 18.268 1.00 2.23 O ATOM 1617 OD2 ASP A 117 -4.997 -10.332 17.515 1.00 2.14 O ATOM 0 H ASP A 117 -4.538 -9.288 13.935 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.148 -9.271 15.607 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -4.107 -11.603 15.514 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -2.467 -11.719 16.122 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.780 -9.969 12.668 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.285 -10.406 11.369 1.00 0.45 C ATOM 1624 C ILE A 118 -1.120 -9.556 10.896 1.00 0.38 C ATOM 1625 O ILE A 118 -1.137 -8.332 11.028 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.387 -10.338 10.304 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.683 -10.927 10.849 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.943 -11.066 9.044 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.880 -10.656 9.971 1.00 0.83 C ATOM 0 H ILE A 118 -3.545 -9.296 12.620 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.954 -11.436 11.499 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.571 -9.295 10.047 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.563 -12.004 10.965 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.870 -10.518 11.842 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.733 -11.011 8.295 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -2.039 -10.599 8.653 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.738 -12.110 9.280 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.768 -11.103 10.418 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -6.025 -9.580 9.875 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.713 -11.089 8.985 1.00 0.83 H new ATOM 1633 N VAL A 119 -0.111 -10.212 10.339 1.00 0.40 N ATOM 1634 CA VAL A 119 1.058 -9.515 9.829 1.00 0.36 C ATOM 1635 C VAL A 119 1.109 -9.585 8.306 1.00 0.35 C ATOM 1636 O VAL A 119 1.222 -10.667 7.729 1.00 0.38 O ATOM 1637 CB VAL A 119 2.360 -10.106 10.404 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.545 -9.212 10.078 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.234 -10.316 11.905 1.00 1.31 C ATOM 0 H VAL A 119 -0.080 -11.226 10.230 1.00 0.40 H new ATOM 0 HA VAL A 119 0.973 -8.475 10.143 1.00 0.36 H new ATOM 0 HB VAL A 119 2.532 -11.077 9.939 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.454 -9.647 10.493 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.646 -9.122 8.996 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.385 -8.224 10.511 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.163 -10.734 12.293 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.035 -9.361 12.391 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.414 -11.004 12.109 1.00 1.31 H new ATOM 1643 N TYR A 120 1.025 -8.425 7.662 1.00 0.38 N ATOM 1644 CA TYR A 120 1.071 -8.354 6.207 1.00 0.38 C ATOM 1645 C TYR A 120 2.323 -7.597 5.767 1.00 0.37 C ATOM 1646 O TYR A 120 2.483 -6.417 6.071 1.00 0.41 O ATOM 1647 CB TYR A 120 -0.195 -7.653 5.690 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.453 -7.830 4.212 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.150 -7.000 3.273 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -1.308 -8.825 3.754 1.00 0.77 C ATOM 1651 CE1 TYR A 120 -0.092 -7.160 1.921 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -1.555 -8.991 2.405 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.945 -8.156 1.493 1.00 1.32 C ATOM 1654 OH TYR A 120 -1.189 -8.316 0.148 1.00 1.67 O ATOM 0 H TYR A 120 0.925 -7.522 8.125 1.00 0.38 H new ATOM 0 HA TYR A 120 1.111 -9.360 5.790 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -1.055 -8.030 6.243 1.00 0.43 H new ATOM 0 HB3 TYR A 120 -0.119 -6.588 5.907 1.00 0.43 H new ATOM 0 HD1 TYR A 120 0.817 -6.219 3.605 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.788 -9.480 4.466 1.00 0.77 H new ATOM 0 HE1 TYR A 120 0.385 -6.508 1.204 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -2.222 -9.770 2.067 1.00 1.08 H new ATOM 0 HH TYR A 120 -1.811 -9.062 0.015 1.00 1.67 H new ATOM 1664 N LYS A 121 3.207 -8.282 5.047 1.00 0.35 N ATOM 1665 CA LYS A 121 4.448 -7.673 4.578 1.00 0.36 C ATOM 1666 C LYS A 121 4.665 -7.920 3.088 1.00 0.35 C ATOM 1667 O LYS A 121 4.538 -9.051 2.615 1.00 0.36 O ATOM 1668 CB LYS A 121 5.633 -8.217 5.381 1.00 0.39 C ATOM 1669 CG LYS A 121 6.959 -7.558 5.039 1.00 0.91 C ATOM 1670 CD LYS A 121 8.082 -8.056 5.938 1.00 1.08 C ATOM 1671 CE LYS A 121 8.391 -9.525 5.691 1.00 1.35 C ATOM 1672 NZ LYS A 121 9.424 -10.042 6.630 1.00 2.05 N ATOM 0 H LYS A 121 3.087 -9.258 4.776 1.00 0.35 H new ATOM 0 HA LYS A 121 4.372 -6.596 4.729 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.433 -8.080 6.444 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.716 -9.290 5.208 1.00 0.39 H new ATOM 0 HG2 LYS A 121 7.209 -7.761 3.998 1.00 0.91 H new ATOM 0 HG3 LYS A 121 6.865 -6.477 5.139 1.00 0.91 H new ATOM 0 HD2 LYS A 121 8.979 -7.461 5.764 1.00 1.08 H new ATOM 0 HD3 LYS A 121 7.803 -7.913 6.982 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.478 -10.111 5.798 1.00 1.35 H new ATOM 0 HE3 LYS A 121 8.735 -9.656 4.665 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 9.605 -11.046 6.428 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 10.304 -9.500 6.511 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.085 -9.941 7.608 1.00 2.05 H new ATOM 1686 N ARG A 122 5.000 -6.864 2.353 1.00 0.35 N ATOM 1687 CA ARG A 122 5.250 -6.986 0.919 1.00 0.36 C ATOM 1688 C ARG A 122 6.696 -6.633 0.579 1.00 0.34 C ATOM 1689 O ARG A 122 7.216 -5.607 1.018 1.00 0.36 O ATOM 1690 CB ARG A 122 4.295 -6.099 0.114 1.00 0.39 C ATOM 1691 CG ARG A 122 4.455 -4.613 0.387 1.00 0.73 C ATOM 1692 CD ARG A 122 3.774 -3.771 -0.680 1.00 0.64 C ATOM 1693 NE ARG A 122 3.744 -2.356 -0.324 1.00 1.23 N ATOM 1694 CZ ARG A 122 2.802 -1.512 -0.729 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.804 -1.942 -1.491 1.00 1.14 N ATOM 1696 NH2 ARG A 122 2.851 -0.237 -0.371 1.00 2.32 N ATOM 0 H ARG A 122 5.104 -5.919 2.723 1.00 0.35 H new ATOM 0 HA ARG A 122 5.072 -8.027 0.647 1.00 0.36 H new ATOM 0 HB2 ARG A 122 4.454 -6.282 -0.949 1.00 0.39 H new ATOM 0 HB3 ARG A 122 3.269 -6.391 0.338 1.00 0.39 H new ATOM 0 HG2 ARG A 122 4.033 -4.374 1.363 1.00 0.73 H new ATOM 0 HG3 ARG A 122 5.515 -4.362 0.428 1.00 0.73 H new ATOM 0 HD2 ARG A 122 4.297 -3.895 -1.628 1.00 0.64 H new ATOM 0 HD3 ARG A 122 2.755 -4.129 -0.829 1.00 0.64 H new ATOM 0 HE ARG A 122 4.490 -1.994 0.270 1.00 1.23 H new ATOM 0 HH11 ARG A 122 1.759 -2.923 -1.767 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.082 -1.292 -1.801 1.00 1.14 H new ATOM 0 HH21 ARG A 122 3.614 0.099 0.217 1.00 2.32 H new ATOM 0 HH22 ARG A 122 2.126 0.409 -0.684 1.00 2.32 H new ATOM 1710 N VAL A 123 7.342 -7.498 -0.198 1.00 0.32 N ATOM 1711 CA VAL A 123 8.722 -7.273 -0.608 1.00 0.32 C ATOM 1712 C VAL A 123 8.773 -6.778 -2.049 1.00 0.30 C ATOM 1713 O VAL A 123 8.326 -7.468 -2.964 1.00 0.33 O ATOM 1714 CB VAL A 123 9.565 -8.556 -0.483 1.00 0.36 C ATOM 1715 CG1 VAL A 123 11.023 -8.277 -0.820 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.439 -9.140 0.916 1.00 0.40 C ATOM 0 H VAL A 123 6.931 -8.360 -0.555 1.00 0.32 H new ATOM 0 HA VAL A 123 9.140 -6.517 0.057 1.00 0.32 H new ATOM 0 HB VAL A 123 9.186 -9.287 -1.197 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.601 -9.196 -0.725 1.00 0.41 H new ATOM 0 HG12 VAL A 123 11.096 -7.906 -1.842 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.418 -7.528 -0.134 1.00 0.41 H new ATOM 0 HG21 VAL A 123 10.041 -10.046 0.988 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.791 -8.412 1.647 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.395 -9.381 1.117 1.00 0.40 H new ATOM 1720 N SER A 124 9.317 -5.582 -2.243 1.00 0.30 N ATOM 1721 CA SER A 124 9.406 -4.997 -3.575 1.00 0.31 C ATOM 1722 C SER A 124 10.854 -4.733 -3.976 1.00 0.32 C ATOM 1723 O SER A 124 11.667 -4.296 -3.161 1.00 0.36 O ATOM 1724 CB SER A 124 8.605 -3.697 -3.628 1.00 0.35 C ATOM 1725 OG SER A 124 7.259 -3.909 -3.236 1.00 1.14 O ATOM 0 H SER A 124 9.701 -5.001 -1.498 1.00 0.30 H new ATOM 0 HA SER A 124 8.988 -5.712 -4.283 1.00 0.31 H new ATOM 0 HB2 SER A 124 9.065 -2.956 -2.974 1.00 0.35 H new ATOM 0 HB3 SER A 124 8.633 -3.290 -4.639 1.00 0.35 H new ATOM 0 HG SER A 124 6.769 -3.061 -3.277 1.00 1.14 H new ATOM 1731 N LYS A 125 11.164 -4.998 -5.242 1.00 0.35 N ATOM 1732 CA LYS A 125 12.509 -4.791 -5.767 1.00 0.39 C ATOM 1733 C LYS A 125 12.544 -3.567 -6.677 1.00 0.35 C ATOM 1734 O LYS A 125 11.622 -3.337 -7.457 1.00 0.38 O ATOM 1735 CB LYS A 125 12.972 -6.028 -6.540 1.00 0.52 C ATOM 1736 CG LYS A 125 14.361 -6.504 -6.164 1.00 0.88 C ATOM 1737 CD LYS A 125 15.446 -5.594 -6.723 1.00 1.37 C ATOM 1738 CE LYS A 125 15.555 -5.716 -8.235 1.00 1.37 C ATOM 1739 NZ LYS A 125 16.676 -4.900 -8.779 1.00 2.04 N ATOM 0 H LYS A 125 10.498 -5.358 -5.926 1.00 0.35 H new ATOM 0 HA LYS A 125 13.184 -4.624 -4.928 1.00 0.39 H new ATOM 0 HB2 LYS A 125 12.263 -6.838 -6.369 1.00 0.52 H new ATOM 0 HB3 LYS A 125 12.951 -5.806 -7.607 1.00 0.52 H new ATOM 0 HG2 LYS A 125 14.448 -6.547 -5.078 1.00 0.88 H new ATOM 0 HG3 LYS A 125 14.510 -7.517 -6.536 1.00 0.88 H new ATOM 0 HD2 LYS A 125 15.228 -4.560 -6.456 1.00 1.37 H new ATOM 0 HD3 LYS A 125 16.403 -5.846 -6.267 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.703 -6.762 -8.505 1.00 1.37 H new ATOM 0 HE3 LYS A 125 14.619 -5.398 -8.693 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 17.060 -5.361 -9.629 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 16.327 -3.952 -9.027 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 17.425 -4.817 -8.062 1.00 2.04 H new ATOM 1753 N ARG A 126 13.616 -2.787 -6.575 1.00 0.37 N ATOM 1754 CA ARG A 126 13.765 -1.584 -7.389 1.00 0.40 C ATOM 1755 C ARG A 126 14.028 -1.939 -8.850 1.00 0.44 C ATOM 1756 O ARG A 126 14.933 -2.713 -9.158 1.00 0.52 O ATOM 1757 CB ARG A 126 14.902 -0.716 -6.849 1.00 0.51 C ATOM 1758 CG ARG A 126 15.084 0.590 -7.605 1.00 0.63 C ATOM 1759 CD ARG A 126 16.231 1.408 -7.033 1.00 1.14 C ATOM 1760 NE ARG A 126 16.401 2.675 -7.739 1.00 1.70 N ATOM 1761 CZ ARG A 126 17.347 3.561 -7.443 1.00 2.27 C ATOM 1762 NH1 ARG A 126 18.210 3.317 -6.466 1.00 2.51 N ATOM 1763 NH2 ARG A 126 17.434 4.695 -8.127 1.00 3.09 N ATOM 0 H ARG A 126 14.393 -2.965 -5.939 1.00 0.37 H new ATOM 0 HA ARG A 126 12.832 -1.023 -7.336 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.711 -0.494 -5.799 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.832 -1.283 -6.891 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.275 0.379 -8.657 1.00 0.63 H new ATOM 0 HG3 ARG A 126 14.163 1.170 -7.558 1.00 0.63 H new ATOM 0 HD2 ARG A 126 16.046 1.603 -5.977 1.00 1.14 H new ATOM 0 HD3 ARG A 126 17.154 0.831 -7.094 1.00 1.14 H new ATOM 0 HE ARG A 126 15.759 2.892 -8.501 1.00 1.70 H new ATOM 0 HH11 ARG A 126 18.150 2.446 -5.938 1.00 2.51 H new ATOM 0 HH12 ARG A 126 18.934 4.000 -6.243 1.00 2.51 H new ATOM 0 HH21 ARG A 126 16.775 4.888 -8.881 1.00 3.09 H new ATOM 0 HH22 ARG A 126 18.160 5.374 -7.899 1.00 3.09 H new ATOM 1777 N ILE A 127 13.229 -1.362 -9.744 1.00 0.48 N ATOM 1778 CA ILE A 127 13.371 -1.613 -11.173 1.00 0.58 C ATOM 1779 C ILE A 127 13.131 -0.342 -11.981 1.00 0.75 C ATOM 1780 O ILE A 127 13.366 0.766 -11.498 1.00 1.31 O ATOM 1781 CB ILE A 127 12.394 -2.704 -11.652 1.00 0.76 C ATOM 1782 CG1 ILE A 127 10.971 -2.390 -11.185 1.00 0.82 C ATOM 1783 CG2 ILE A 127 12.840 -4.070 -11.148 1.00 1.23 C ATOM 1784 CD1 ILE A 127 9.929 -3.344 -11.730 1.00 1.21 C ATOM 0 H ILE A 127 12.476 -0.717 -9.502 1.00 0.48 H new ATOM 0 HA ILE A 127 14.393 -1.955 -11.334 1.00 0.58 H new ATOM 0 HB ILE A 127 12.397 -2.723 -12.742 1.00 0.76 H new ATOM 0 HG12 ILE A 127 10.941 -2.416 -10.096 1.00 0.82 H new ATOM 0 HG13 ILE A 127 10.715 -1.374 -11.486 1.00 0.82 H new ATOM 0 HG21 ILE A 127 12.141 -4.831 -11.494 1.00 1.23 H new ATOM 0 HG22 ILE A 127 13.836 -4.292 -11.531 1.00 1.23 H new ATOM 0 HG23 ILE A 127 12.863 -4.066 -10.058 1.00 1.23 H new ATOM 0 HD11 ILE A 127 8.945 -3.060 -11.357 1.00 1.21 H new ATOM 0 HD12 ILE A 127 9.930 -3.301 -12.819 1.00 1.21 H new ATOM 0 HD13 ILE A 127 10.160 -4.359 -11.407 1.00 1.21 H new