USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 745 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 32 TYR OH : rot 180:sc= 0.653 USER MOD Set 1.2: A 106 SER OG : rot 107:sc= 0.731 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= 0.141 X(o=-3.9,f=-4.2) USER MOD Set 2.3: A 84 ASN : amide:sc= -4.04 K(o=-3.9,f=-7.5!) USER MOD Set 3.1: A 76 LYS NZ :NH3+ 159:sc= -1.31 (180deg=-2.15!) USER MOD Set 3.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.5!) USER MOD Single : A 5 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.044) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -74:sc= 0.316 USER MOD Single : A 34 MET CE :methyl -114:sc= -1.26 (180deg=-3.65!) USER MOD Single : A 39 GLN : amide:sc= -1.84 K(o=-1.8,f=-6.7!) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00252) USER MOD Single : A 47 SER OG : rot 65:sc= 1.62 USER MOD Single : A 52 ASN : amide:sc= 1.2 K(o=1.2,f=-0.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -79:sc= 0.73 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.508 K(o=0.51,f=-9.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 15:sc= -0.0525 USER MOD Single : A 83 MET CE :methyl -142:sc= -2.24! (180deg=-4.38!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.249 USER MOD Single : A 94 TYR OH : rot -140:sc= 0.0535 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc=-0.00752 X(o=-0.0075,f=-0.25) USER MOD Single : A 111 THR OG1 : rot 120:sc= -0.197 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0397 F(o=-2.9!,f=-0.04) USER MOD Single : A 114 THR OG1 : rot -170:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 9.512 10.174 0.033 1.00 0.00 N ATOM 37 CA GLN A 3 8.102 10.314 -0.312 1.00 0.00 C ATOM 38 C GLN A 3 7.545 9.000 -0.849 1.00 0.00 C ATOM 39 O GLN A 3 8.255 7.998 -0.923 1.00 0.00 O ATOM 40 CB GLN A 3 7.916 11.424 -1.348 1.00 0.00 C ATOM 41 CG GLN A 3 7.657 12.790 -0.734 1.00 0.00 C ATOM 42 CD GLN A 3 6.540 13.541 -1.430 1.00 0.00 C ATOM 43 OE1 GLN A 3 6.012 13.091 -2.447 1.00 0.00 O ATOM 44 NE2 GLN A 3 6.172 14.695 -0.884 1.00 0.00 N ATOM 0 HA GLN A 3 7.554 10.579 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.807 11.479 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.083 11.164 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.406 12.669 0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.571 13.383 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.636 15.031 -0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.425 15.245 -1.308 1.00 0.00 H new ATOM 53 N LEU A 4 6.269 9.011 -1.221 1.00 0.00 N ATOM 54 CA LEU A 4 5.620 7.817 -1.748 1.00 0.00 C ATOM 55 C LEU A 4 4.353 8.175 -2.522 1.00 0.00 C ATOM 56 O LEU A 4 3.242 8.012 -2.021 1.00 0.00 O ATOM 57 CB LEU A 4 5.284 6.855 -0.607 1.00 0.00 C ATOM 58 CG LEU A 4 6.453 5.990 -0.130 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.031 6.535 1.169 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.012 4.543 0.045 1.00 0.00 C ATOM 0 H LEU A 4 5.666 9.832 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 4 6.312 7.331 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.910 7.433 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.474 6.200 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 4 7.233 6.021 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.861 5.905 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.388 7.552 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.259 6.538 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.857 3.944 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.212 4.493 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.651 4.155 -0.908 1.00 0.00 H new ATOM 72 N GLN A 5 4.528 8.660 -3.747 1.00 0.00 N ATOM 73 CA GLN A 5 3.397 9.036 -4.589 1.00 0.00 C ATOM 74 C GLN A 5 2.625 7.800 -5.042 1.00 0.00 C ATOM 75 O GLN A 5 3.192 6.716 -5.162 1.00 0.00 O ATOM 76 CB GLN A 5 3.883 9.825 -5.808 1.00 0.00 C ATOM 77 CG GLN A 5 4.961 9.108 -6.605 1.00 0.00 C ATOM 78 CD GLN A 5 4.749 9.215 -8.102 1.00 0.00 C ATOM 79 OE1 GLN A 5 5.611 9.708 -8.829 1.00 0.00 O ATOM 80 NE2 GLN A 5 3.596 8.751 -8.571 1.00 0.00 N ATOM 0 H GLN A 5 5.441 8.802 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 5 2.729 9.665 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.034 10.028 -6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.268 10.789 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.935 9.526 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.980 8.056 -6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.910 8.350 -7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.397 8.795 -9.570 1.00 0.00 H new ATOM 89 N GLU A 6 1.329 7.970 -5.291 1.00 0.00 N ATOM 90 CA GLU A 6 0.480 6.864 -5.729 1.00 0.00 C ATOM 91 C GLU A 6 0.053 7.049 -7.181 1.00 0.00 C ATOM 92 O GLU A 6 0.188 8.135 -7.745 1.00 0.00 O ATOM 93 CB GLU A 6 -0.761 6.745 -4.835 1.00 0.00 C ATOM 94 CG GLU A 6 -0.567 7.299 -3.432 1.00 0.00 C ATOM 95 CD GLU A 6 -0.772 8.799 -3.368 1.00 0.00 C ATOM 96 OE1 GLU A 6 -1.857 9.268 -3.770 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.154 9.506 -2.916 1.00 0.00 O ATOM 0 H GLU A 6 0.844 8.862 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 6 1.062 5.946 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.590 7.269 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.046 5.695 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.265 6.811 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.438 7.058 -3.085 1.00 0.00 H new ATOM 104 N SER A 7 -0.463 5.982 -7.781 1.00 0.00 N ATOM 105 CA SER A 7 -0.911 6.027 -9.169 1.00 0.00 C ATOM 106 C SER A 7 -1.762 4.808 -9.511 1.00 0.00 C ATOM 107 O SER A 7 -1.310 3.670 -9.390 1.00 0.00 O ATOM 108 CB SER A 7 0.292 6.103 -10.111 1.00 0.00 C ATOM 109 OG SER A 7 -0.084 5.800 -11.444 1.00 0.00 O ATOM 0 H SER A 7 -0.582 5.076 -7.329 1.00 0.00 H new ATOM 0 HA SER A 7 -1.524 6.920 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.727 7.102 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.062 5.406 -9.780 1.00 0.00 H new ATOM 0 HG SER A 7 0.702 5.857 -12.027 1.00 0.00 H new ATOM 115 N GLY A 8 -2.996 5.055 -9.941 1.00 0.00 N ATOM 116 CA GLY A 8 -3.889 3.967 -10.298 1.00 0.00 C ATOM 117 C GLY A 8 -5.080 3.857 -9.365 1.00 0.00 C ATOM 118 O GLY A 8 -6.202 3.608 -9.807 1.00 0.00 O ATOM 0 H GLY A 8 -3.393 5.988 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.244 4.114 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.335 3.028 -10.285 1.00 0.00 H new ATOM 122 N GLY A 9 -4.836 4.038 -8.070 1.00 0.00 N ATOM 123 CA GLY A 9 -5.899 3.950 -7.091 1.00 0.00 C ATOM 124 C GLY A 9 -7.107 4.785 -7.456 1.00 0.00 C ATOM 125 O GLY A 9 -6.978 5.907 -7.945 1.00 0.00 O ATOM 0 H GLY A 9 -3.915 4.245 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.202 2.909 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.520 4.273 -6.121 1.00 0.00 H new ATOM 129 N GLY A 10 -8.282 4.228 -7.213 1.00 0.00 N ATOM 130 CA GLY A 10 -9.517 4.924 -7.515 1.00 0.00 C ATOM 131 C GLY A 10 -10.743 4.097 -7.183 1.00 0.00 C ATOM 132 O GLY A 10 -10.667 3.142 -6.410 1.00 0.00 O ATOM 0 H GLY A 10 -8.404 3.299 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.550 5.859 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.534 5.185 -8.573 1.00 0.00 H new ATOM 136 N LEU A 11 -11.878 4.473 -7.761 1.00 0.00 N ATOM 137 CA LEU A 11 -13.128 3.777 -7.521 1.00 0.00 C ATOM 138 C LEU A 11 -13.122 2.385 -8.145 1.00 0.00 C ATOM 139 O LEU A 11 -12.532 2.170 -9.204 1.00 0.00 O ATOM 140 CB LEU A 11 -14.289 4.592 -8.078 1.00 0.00 C ATOM 141 CG LEU A 11 -14.331 6.025 -7.565 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.026 7.008 -8.686 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.679 6.335 -6.929 1.00 0.00 C ATOM 0 H LEU A 11 -11.954 5.262 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.247 3.660 -6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.223 4.606 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.225 4.096 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.563 6.132 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.061 8.026 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.032 6.807 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.766 6.897 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.684 7.364 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.469 6.205 -7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.851 5.658 -6.092 1.00 0.00 H new ATOM 155 N VAL A 12 -13.786 1.445 -7.481 1.00 0.00 N ATOM 156 CA VAL A 12 -13.862 0.074 -7.968 1.00 0.00 C ATOM 157 C VAL A 12 -14.872 -0.738 -7.161 1.00 0.00 C ATOM 158 O VAL A 12 -14.658 -1.017 -5.982 1.00 0.00 O ATOM 159 CB VAL A 12 -12.489 -0.620 -7.911 1.00 0.00 C ATOM 160 CG1 VAL A 12 -11.960 -0.647 -6.486 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.571 -2.026 -8.487 1.00 0.00 C ATOM 0 H VAL A 12 -14.279 1.608 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.188 0.122 -9.007 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.791 -0.046 -8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.989 -1.142 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.854 0.373 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.657 -1.192 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.590 -2.498 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.286 -2.614 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.896 -1.975 -9.526 1.00 0.00 H new ATOM 171 N GLN A 13 -15.973 -1.112 -7.805 1.00 0.00 N ATOM 172 CA GLN A 13 -17.015 -1.889 -7.149 1.00 0.00 C ATOM 173 C GLN A 13 -16.514 -3.282 -6.784 1.00 0.00 C ATOM 174 O GLN A 13 -15.624 -3.824 -7.439 1.00 0.00 O ATOM 175 CB GLN A 13 -18.236 -1.993 -8.052 1.00 0.00 C ATOM 176 CG GLN A 13 -19.306 -0.953 -7.755 1.00 0.00 C ATOM 177 CD GLN A 13 -19.762 -0.214 -8.998 1.00 0.00 C ATOM 178 OE1 GLN A 13 -19.961 1.001 -8.974 1.00 0.00 O ATOM 179 NE2 GLN A 13 -19.933 -0.946 -10.093 1.00 0.00 N ATOM 0 H GLN A 13 -16.165 -0.889 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.292 -1.376 -6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.919 -1.890 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.670 -2.988 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -20.164 -1.441 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.919 -0.235 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.756 -1.950 -10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.241 -0.504 -10.959 1.00 0.00 H new ATOM 188 N ALA A 14 -17.093 -3.857 -5.733 1.00 0.00 N ATOM 189 CA ALA A 14 -16.711 -5.185 -5.275 1.00 0.00 C ATOM 190 C ALA A 14 -16.691 -6.184 -6.426 1.00 0.00 C ATOM 191 O ALA A 14 -17.479 -6.079 -7.366 1.00 0.00 O ATOM 192 CB ALA A 14 -17.657 -5.656 -4.182 1.00 0.00 C ATOM 0 H ALA A 14 -17.832 -3.420 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.701 -5.124 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.361 -6.650 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.615 -4.963 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.674 -5.692 -4.572 1.00 0.00 H new ATOM 198 N GLY A 15 -15.783 -7.148 -6.347 1.00 0.00 N ATOM 199 CA GLY A 15 -15.673 -8.150 -7.391 1.00 0.00 C ATOM 200 C GLY A 15 -14.688 -7.755 -8.475 1.00 0.00 C ATOM 201 O GLY A 15 -14.289 -8.586 -9.291 1.00 0.00 O ATOM 0 H GLY A 15 -15.120 -7.255 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.362 -9.097 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.654 -8.313 -7.838 1.00 0.00 H new ATOM 205 N GLY A 16 -14.293 -6.485 -8.484 1.00 0.00 N ATOM 206 CA GLY A 16 -13.352 -6.008 -9.479 1.00 0.00 C ATOM 207 C GLY A 16 -11.989 -5.711 -8.888 1.00 0.00 C ATOM 208 O GLY A 16 -11.843 -4.800 -8.073 1.00 0.00 O ATOM 0 H GLY A 16 -14.609 -5.779 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.249 -6.755 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.747 -5.106 -9.946 1.00 0.00 H new ATOM 212 N SER A 17 -10.989 -6.484 -9.295 1.00 0.00 N ATOM 213 CA SER A 17 -9.634 -6.304 -8.798 1.00 0.00 C ATOM 214 C SER A 17 -9.020 -5.012 -9.330 1.00 0.00 C ATOM 215 O SER A 17 -9.146 -4.693 -10.512 1.00 0.00 O ATOM 216 CB SER A 17 -8.768 -7.500 -9.198 1.00 0.00 C ATOM 217 OG SER A 17 -8.199 -7.316 -10.484 1.00 0.00 O ATOM 0 H SER A 17 -11.093 -7.242 -9.969 1.00 0.00 H new ATOM 0 HA SER A 17 -9.676 -6.237 -7.711 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.975 -7.639 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.372 -8.407 -9.191 1.00 0.00 H new ATOM 0 HG SER A 17 -7.650 -8.094 -10.713 1.00 0.00 H new ATOM 223 N LEU A 18 -8.353 -4.277 -8.447 1.00 0.00 N ATOM 224 CA LEU A 18 -7.713 -3.023 -8.820 1.00 0.00 C ATOM 225 C LEU A 18 -6.320 -2.941 -8.207 1.00 0.00 C ATOM 226 O LEU A 18 -6.147 -3.170 -7.011 1.00 0.00 O ATOM 227 CB LEU A 18 -8.560 -1.835 -8.361 1.00 0.00 C ATOM 228 CG LEU A 18 -7.937 -0.463 -8.621 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.510 0.152 -9.889 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.158 0.460 -7.431 1.00 0.00 C ATOM 0 H LEU A 18 -8.242 -4.530 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.623 -2.988 -9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.526 -1.880 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.751 -1.935 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.864 -0.594 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.055 1.128 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.298 -0.499 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.588 0.268 -9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.707 1.431 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.227 0.585 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.698 0.026 -6.543 1.00 0.00 H new ATOM 242 N ARG A 19 -5.329 -2.623 -9.031 1.00 0.00 N ATOM 243 CA ARG A 19 -3.954 -2.529 -8.558 1.00 0.00 C ATOM 244 C ARG A 19 -3.522 -1.079 -8.369 1.00 0.00 C ATOM 245 O ARG A 19 -3.922 -0.193 -9.123 1.00 0.00 O ATOM 246 CB ARG A 19 -3.007 -3.228 -9.535 1.00 0.00 C ATOM 247 CG ARG A 19 -1.562 -3.260 -9.062 1.00 0.00 C ATOM 248 CD ARG A 19 -0.752 -4.310 -9.805 1.00 0.00 C ATOM 249 NE ARG A 19 0.177 -3.710 -10.759 1.00 0.00 N ATOM 250 CZ ARG A 19 1.245 -4.337 -11.249 1.00 0.00 C ATOM 251 NH1 ARG A 19 1.521 -5.581 -10.881 1.00 0.00 N ATOM 252 NH2 ARG A 19 2.038 -3.716 -12.112 1.00 0.00 N ATOM 0 H ARG A 19 -5.451 -2.427 -10.025 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.906 -3.025 -7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.351 -4.250 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.054 -2.722 -10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.109 -2.280 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.533 -3.468 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.196 -4.913 -9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.428 -4.984 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.003 -2.755 -11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.914 -6.064 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.341 -6.055 -11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.829 -2.760 -12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.856 -4.195 -12.488 1.00 0.00 H new ATOM 266 N LEU A 20 -2.686 -0.854 -7.360 1.00 0.00 N ATOM 267 CA LEU A 20 -2.172 0.474 -7.066 1.00 0.00 C ATOM 268 C LEU A 20 -0.657 0.487 -7.221 1.00 0.00 C ATOM 269 O LEU A 20 0.008 -0.519 -6.979 1.00 0.00 O ATOM 270 CB LEU A 20 -2.557 0.902 -5.647 1.00 0.00 C ATOM 271 CG LEU A 20 -3.960 0.486 -5.194 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.296 1.124 -3.853 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.999 0.864 -6.243 1.00 0.00 C ATOM 0 H LEU A 20 -2.350 -1.582 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.612 1.180 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.830 0.485 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.478 1.987 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.976 -0.597 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.296 0.819 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.572 0.802 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.261 2.209 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.988 0.560 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.984 1.943 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.768 0.360 -7.182 1.00 0.00 H new ATOM 285 N SER A 21 -0.118 1.624 -7.633 1.00 0.00 N ATOM 286 CA SER A 21 1.320 1.756 -7.829 1.00 0.00 C ATOM 287 C SER A 21 1.879 2.935 -7.043 1.00 0.00 C ATOM 288 O SER A 21 1.564 4.090 -7.329 1.00 0.00 O ATOM 289 CB SER A 21 1.635 1.927 -9.315 1.00 0.00 C ATOM 290 OG SER A 21 1.118 3.151 -9.809 1.00 0.00 O ATOM 0 H SER A 21 -0.652 2.468 -7.838 1.00 0.00 H new ATOM 0 HA SER A 21 1.793 0.846 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.714 1.897 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.210 1.096 -9.878 1.00 0.00 H new ATOM 0 HG SER A 21 0.145 3.082 -9.900 1.00 0.00 H new ATOM 296 N CYS A 22 2.718 2.637 -6.057 1.00 0.00 N ATOM 297 CA CYS A 22 3.329 3.675 -5.237 1.00 0.00 C ATOM 298 C CYS A 22 4.844 3.667 -5.403 1.00 0.00 C ATOM 299 O CYS A 22 5.487 2.626 -5.275 1.00 0.00 O ATOM 300 CB CYS A 22 2.963 3.484 -3.765 1.00 0.00 C ATOM 301 SG CYS A 22 3.020 5.018 -2.784 1.00 0.00 S ATOM 0 H CYS A 22 2.990 1.686 -5.807 1.00 0.00 H new ATOM 0 HA CYS A 22 2.945 4.639 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.960 3.061 -3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.644 2.756 -3.323 1.00 0.00 H new ATOM 306 N ALA A 23 5.407 4.834 -5.692 1.00 0.00 N ATOM 307 CA ALA A 23 6.848 4.959 -5.880 1.00 0.00 C ATOM 308 C ALA A 23 7.457 5.929 -4.875 1.00 0.00 C ATOM 309 O ALA A 23 6.864 6.957 -4.549 1.00 0.00 O ATOM 310 CB ALA A 23 7.155 5.410 -7.300 1.00 0.00 C ATOM 0 H ALA A 23 4.889 5.706 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 23 7.295 3.979 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.234 5.500 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.765 4.677 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.686 6.377 -7.484 1.00 0.00 H new ATOM 316 N ALA A 24 8.647 5.593 -4.389 1.00 0.00 N ATOM 317 CA ALA A 24 9.344 6.432 -3.421 1.00 0.00 C ATOM 318 C ALA A 24 10.573 7.084 -4.046 1.00 0.00 C ATOM 319 O ALA A 24 11.381 6.416 -4.692 1.00 0.00 O ATOM 320 CB ALA A 24 9.740 5.612 -2.203 1.00 0.00 C ATOM 0 H ALA A 24 9.150 4.745 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 24 8.665 7.225 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.260 6.250 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.846 5.198 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.399 4.800 -2.510 1.00 0.00 H new ATOM 414 N TYR A 32 14.545 0.388 4.885 1.00 0.00 N ATOM 415 CA TYR A 32 13.378 1.216 4.618 1.00 0.00 C ATOM 416 C TYR A 32 12.308 0.426 3.873 1.00 0.00 C ATOM 417 O TYR A 32 12.247 0.450 2.644 1.00 0.00 O ATOM 418 CB TYR A 32 13.786 2.443 3.803 1.00 0.00 C ATOM 419 CG TYR A 32 13.209 3.743 4.314 1.00 0.00 C ATOM 420 CD1 TYR A 32 11.929 3.800 4.848 1.00 0.00 C ATOM 421 CD2 TYR A 32 13.950 4.917 4.260 1.00 0.00 C ATOM 422 CE1 TYR A 32 11.403 4.990 5.314 1.00 0.00 C ATOM 423 CE2 TYR A 32 13.431 6.110 4.725 1.00 0.00 C ATOM 424 CZ TYR A 32 12.158 6.141 5.250 1.00 0.00 C ATOM 425 OH TYR A 32 11.638 7.327 5.714 1.00 0.00 O ATOM 0 HA TYR A 32 12.961 1.539 5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.873 2.518 3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.472 2.300 2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.335 2.900 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.948 4.897 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.405 5.018 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.020 7.014 4.677 1.00 0.00 H new ATOM 0 HH TYR A 32 12.298 8.042 5.597 1.00 0.00 H new ATOM 435 N ASP A 33 11.464 -0.272 4.625 1.00 0.00 N ATOM 436 CA ASP A 33 10.396 -1.067 4.033 1.00 0.00 C ATOM 437 C ASP A 33 9.315 -0.166 3.443 1.00 0.00 C ATOM 438 O ASP A 33 9.219 1.011 3.788 1.00 0.00 O ATOM 439 CB ASP A 33 9.782 -1.998 5.080 1.00 0.00 C ATOM 440 CG ASP A 33 10.833 -2.752 5.871 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.835 -3.187 5.265 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.654 -2.909 7.097 1.00 0.00 O ATOM 0 H ASP A 33 11.499 -0.303 5.644 1.00 0.00 H new ATOM 0 HA ASP A 33 10.825 -1.668 3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.166 -1.415 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.122 -2.711 4.586 1.00 0.00 H new ATOM 447 N MET A 34 8.504 -0.729 2.554 1.00 0.00 N ATOM 448 CA MET A 34 7.429 0.019 1.918 1.00 0.00 C ATOM 449 C MET A 34 6.127 -0.775 1.963 1.00 0.00 C ATOM 450 O MET A 34 6.090 -1.942 1.572 1.00 0.00 O ATOM 451 CB MET A 34 7.796 0.347 0.469 1.00 0.00 C ATOM 452 CG MET A 34 8.455 1.707 0.302 1.00 0.00 C ATOM 453 SD MET A 34 9.870 1.663 -0.816 1.00 0.00 S ATOM 454 CE MET A 34 10.987 0.600 0.095 1.00 0.00 C ATOM 0 H MET A 34 8.572 -1.703 2.258 1.00 0.00 H new ATOM 0 HA MET A 34 7.287 0.951 2.464 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.469 -0.423 0.090 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.894 0.312 -0.143 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.720 2.418 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.779 2.071 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.861 1.172 0.406 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.478 0.207 0.975 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.302 -0.227 -0.541 1.00 0.00 H new ATOM 464 N GLY A 35 5.063 -0.141 2.447 1.00 0.00 N ATOM 465 CA GLY A 35 3.783 -0.820 2.536 1.00 0.00 C ATOM 466 C GLY A 35 2.602 0.127 2.476 1.00 0.00 C ATOM 467 O GLY A 35 2.741 1.323 2.734 1.00 0.00 O ATOM 0 H GLY A 35 5.064 0.824 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.704 -1.542 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.742 -1.384 3.468 1.00 0.00 H new ATOM 471 N TRP A 36 1.433 -0.411 2.138 1.00 0.00 N ATOM 472 CA TRP A 36 0.223 0.384 2.049 1.00 0.00 C ATOM 473 C TRP A 36 -0.461 0.484 3.401 1.00 0.00 C ATOM 474 O TRP A 36 -0.301 -0.383 4.261 1.00 0.00 O ATOM 475 CB TRP A 36 -0.735 -0.224 1.037 1.00 0.00 C ATOM 476 CG TRP A 36 -0.249 -0.159 -0.379 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.520 -1.084 -1.024 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.506 0.883 -1.328 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.757 -0.682 -2.317 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.138 0.523 -2.528 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.217 2.085 -1.280 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.089 1.323 -3.668 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.264 2.878 -2.411 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.615 2.494 -3.592 1.00 0.00 C ATOM 0 H TRP A 36 1.304 -1.399 1.921 1.00 0.00 H new ATOM 0 HA TRP A 36 0.503 1.386 1.724 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.913 -1.266 1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.694 0.290 1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.889 -1.998 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.304 -1.196 -3.007 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.721 2.389 -0.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.589 1.029 -4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.810 3.809 -2.384 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.672 3.135 -4.459 1.00 0.00 H new ATOM 495 N PHE A 37 -1.218 1.553 3.583 1.00 0.00 N ATOM 496 CA PHE A 37 -1.923 1.787 4.822 1.00 0.00 C ATOM 497 C PHE A 37 -3.342 2.274 4.552 1.00 0.00 C ATOM 498 O PHE A 37 -3.771 2.362 3.402 1.00 0.00 O ATOM 499 CB PHE A 37 -1.163 2.824 5.644 1.00 0.00 C ATOM 500 CG PHE A 37 -0.148 2.231 6.577 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.966 1.571 6.084 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.308 2.335 7.949 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.901 1.023 6.943 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.623 1.789 8.813 1.00 0.00 C ATOM 505 CZ PHE A 37 1.728 1.131 8.309 1.00 0.00 C ATOM 0 H PHE A 37 -1.358 2.276 2.878 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.985 0.851 5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.660 3.514 4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.877 3.409 6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.106 1.484 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.170 2.849 8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.765 0.511 6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.486 1.877 9.881 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.455 0.702 8.982 1.00 0.00 H new ATOM 515 N ARG A 38 -4.064 2.591 5.619 1.00 0.00 N ATOM 516 CA ARG A 38 -5.434 3.075 5.501 1.00 0.00 C ATOM 517 C ARG A 38 -5.753 4.076 6.607 1.00 0.00 C ATOM 518 O ARG A 38 -5.193 4.005 7.704 1.00 0.00 O ATOM 519 CB ARG A 38 -6.431 1.913 5.546 1.00 0.00 C ATOM 520 CG ARG A 38 -5.788 0.547 5.723 1.00 0.00 C ATOM 521 CD ARG A 38 -6.830 -0.545 5.899 1.00 0.00 C ATOM 522 NE ARG A 38 -7.694 -0.674 4.727 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.838 -0.013 4.566 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.269 0.826 5.500 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.556 -0.192 3.466 1.00 0.00 N ATOM 0 H ARG A 38 -3.723 2.522 6.578 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.526 3.576 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.131 2.081 6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.012 1.912 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.167 0.322 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.129 0.565 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.330 -1.495 6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.439 -0.326 6.776 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.402 -1.311 3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.722 0.968 6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.147 1.328 5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.232 -0.836 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.433 0.314 3.341 1.00 0.00 H new ATOM 539 N GLN A 39 -6.658 5.007 6.311 1.00 0.00 N ATOM 540 CA GLN A 39 -7.054 6.023 7.279 1.00 0.00 C ATOM 541 C GLN A 39 -8.466 6.528 6.996 1.00 0.00 C ATOM 542 O GLN A 39 -9.098 6.127 6.019 1.00 0.00 O ATOM 543 CB GLN A 39 -6.065 7.192 7.257 1.00 0.00 C ATOM 544 CG GLN A 39 -5.319 7.381 8.568 1.00 0.00 C ATOM 545 CD GLN A 39 -6.161 8.069 9.624 1.00 0.00 C ATOM 546 OE1 GLN A 39 -7.139 8.747 9.310 1.00 0.00 O ATOM 547 NE2 GLN A 39 -5.783 7.897 10.884 1.00 0.00 N ATOM 0 H GLN A 39 -7.129 5.077 5.409 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.045 5.567 8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.342 7.031 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.604 8.109 7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.997 6.409 8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.418 7.968 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.965 7.326 11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.310 8.336 11.639 1.00 0.00 H new ATOM 556 N ALA A 40 -8.951 7.411 7.862 1.00 0.00 N ATOM 557 CA ALA A 40 -10.285 7.980 7.718 1.00 0.00 C ATOM 558 C ALA A 40 -10.520 9.063 8.765 1.00 0.00 C ATOM 559 O ALA A 40 -9.921 9.035 9.840 1.00 0.00 O ATOM 560 CB ALA A 40 -11.339 6.891 7.835 1.00 0.00 C ATOM 0 H ALA A 40 -8.437 7.749 8.675 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.363 8.434 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.330 7.331 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.183 6.148 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.260 6.412 8.811 1.00 0.00 H new ATOM 566 N PRO A 41 -11.394 10.039 8.470 1.00 0.00 N ATOM 567 CA PRO A 41 -11.693 11.129 9.401 1.00 0.00 C ATOM 568 C PRO A 41 -12.321 10.626 10.688 1.00 0.00 C ATOM 569 O PRO A 41 -13.175 9.740 10.673 1.00 0.00 O ATOM 570 CB PRO A 41 -12.668 12.021 8.626 1.00 0.00 C ATOM 571 CG PRO A 41 -13.238 11.140 7.567 1.00 0.00 C ATOM 572 CD PRO A 41 -12.155 10.160 7.215 1.00 0.00 C ATOM 0 HA PRO A 41 -10.791 11.655 9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.450 12.411 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.157 12.880 8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.129 10.625 7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.536 11.722 6.695 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.566 9.201 6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.531 10.524 6.399 1.00 0.00 H new ATOM 580 N GLY A 42 -11.866 11.179 11.807 1.00 0.00 N ATOM 581 CA GLY A 42 -12.370 10.752 13.094 1.00 0.00 C ATOM 582 C GLY A 42 -11.982 9.317 13.395 1.00 0.00 C ATOM 583 O GLY A 42 -12.443 8.734 14.376 1.00 0.00 O ATOM 0 H GLY A 42 -11.159 11.913 11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.980 11.406 13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.456 10.848 13.111 1.00 0.00 H new ATOM 587 N LYS A 43 -11.138 8.743 12.536 1.00 0.00 N ATOM 588 CA LYS A 43 -10.695 7.369 12.698 1.00 0.00 C ATOM 589 C LYS A 43 -9.216 7.311 13.073 1.00 0.00 C ATOM 590 O LYS A 43 -8.603 8.333 13.383 1.00 0.00 O ATOM 591 CB LYS A 43 -10.936 6.615 11.396 1.00 0.00 C ATOM 592 CG LYS A 43 -11.297 5.150 11.588 1.00 0.00 C ATOM 593 CD LYS A 43 -12.761 4.889 11.270 1.00 0.00 C ATOM 594 CE LYS A 43 -13.378 3.907 12.252 1.00 0.00 C ATOM 595 NZ LYS A 43 -12.770 2.553 12.139 1.00 0.00 N ATOM 0 H LYS A 43 -10.750 9.216 11.720 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.262 6.906 13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.738 7.107 10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.040 6.680 10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.669 4.533 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.089 4.855 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.313 5.828 11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.850 4.497 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.248 4.280 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.451 3.839 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.230 1.909 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.901 2.193 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.754 2.610 12.352 1.00 0.00 H new ATOM 609 N GLU A 44 -8.647 6.110 13.038 1.00 0.00 N ATOM 610 CA GLU A 44 -7.242 5.916 13.368 1.00 0.00 C ATOM 611 C GLU A 44 -6.460 5.441 12.147 1.00 0.00 C ATOM 612 O GLU A 44 -7.034 5.212 11.082 1.00 0.00 O ATOM 613 CB GLU A 44 -7.098 4.903 14.504 1.00 0.00 C ATOM 614 CG GLU A 44 -8.044 5.153 15.667 1.00 0.00 C ATOM 615 CD GLU A 44 -7.922 4.101 16.752 1.00 0.00 C ATOM 616 OE1 GLU A 44 -7.405 3.003 16.457 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.341 4.376 17.896 1.00 0.00 O ATOM 0 H GLU A 44 -9.141 5.255 12.783 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.834 6.874 13.691 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.275 3.902 14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.072 4.924 14.871 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.839 6.135 16.093 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.070 5.173 15.299 1.00 0.00 H new ATOM 624 N ARG A 45 -5.149 5.294 12.307 1.00 0.00 N ATOM 625 CA ARG A 45 -4.293 4.846 11.213 1.00 0.00 C ATOM 626 C ARG A 45 -4.017 3.349 11.307 1.00 0.00 C ATOM 627 O ARG A 45 -3.707 2.828 12.379 1.00 0.00 O ATOM 628 CB ARG A 45 -2.972 5.619 11.219 1.00 0.00 C ATOM 629 CG ARG A 45 -2.753 6.468 9.977 1.00 0.00 C ATOM 630 CD ARG A 45 -1.280 6.778 9.764 1.00 0.00 C ATOM 631 NE ARG A 45 -0.614 7.161 11.007 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.800 8.328 11.620 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.635 9.225 11.112 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.150 8.598 12.744 1.00 0.00 N ATOM 0 H ARG A 45 -4.656 5.478 13.181 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.818 5.041 10.278 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.942 6.263 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.148 4.912 11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.145 5.946 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.312 7.399 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.784 5.905 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.181 7.584 9.037 1.00 0.00 H new ATOM 0 HE ARG A 45 0.032 6.495 11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.138 9.022 10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.774 10.118 11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.493 7.911 13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.293 9.492 13.213 1.00 0.00 H new ATOM 648 N GLU A 46 -4.125 2.665 10.173 1.00 0.00 N ATOM 649 CA GLU A 46 -3.881 1.228 10.116 1.00 0.00 C ATOM 650 C GLU A 46 -3.101 0.870 8.856 1.00 0.00 C ATOM 651 O GLU A 46 -3.019 1.667 7.923 1.00 0.00 O ATOM 652 CB GLU A 46 -5.205 0.462 10.155 1.00 0.00 C ATOM 653 CG GLU A 46 -6.058 0.643 8.910 1.00 0.00 C ATOM 654 CD GLU A 46 -7.537 0.745 9.226 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.047 -0.125 9.964 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.185 1.693 8.736 1.00 0.00 O ATOM 0 H GLU A 46 -4.381 3.084 9.279 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.287 0.943 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.996 -0.599 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.776 0.787 11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.740 1.543 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.892 -0.196 8.235 1.00 0.00 H new ATOM 663 N SER A 47 -2.523 -0.325 8.832 1.00 0.00 N ATOM 664 CA SER A 47 -1.751 -0.769 7.685 1.00 0.00 C ATOM 665 C SER A 47 -2.462 -1.890 6.943 1.00 0.00 C ATOM 666 O SER A 47 -3.465 -2.429 7.410 1.00 0.00 O ATOM 667 CB SER A 47 -0.367 -1.239 8.126 1.00 0.00 C ATOM 668 OG SER A 47 0.503 -1.404 7.018 1.00 0.00 O ATOM 0 H SER A 47 -2.576 -1.001 9.594 1.00 0.00 H new ATOM 0 HA SER A 47 -1.645 0.078 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.060 -0.516 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.456 -2.183 8.664 1.00 0.00 H new ATOM 0 HG SER A 47 0.663 -0.534 6.596 1.00 0.00 H new ATOM 674 N VAL A 48 -1.923 -2.232 5.784 1.00 0.00 N ATOM 675 CA VAL A 48 -2.486 -3.294 4.955 1.00 0.00 C ATOM 676 C VAL A 48 -1.418 -4.296 4.539 1.00 0.00 C ATOM 677 O VAL A 48 -1.422 -5.443 4.983 1.00 0.00 O ATOM 678 CB VAL A 48 -3.152 -2.738 3.687 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.017 -3.801 3.027 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.968 -1.498 4.003 1.00 0.00 C ATOM 0 H VAL A 48 -1.092 -1.789 5.392 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.239 -3.791 5.567 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.366 -2.454 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.480 -3.388 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.398 -4.656 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.793 -4.121 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.429 -1.123 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.745 -1.748 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.317 -0.731 4.421 1.00 0.00 H new ATOM 690 N ALA A 49 -0.509 -3.859 3.676 1.00 0.00 N ATOM 691 CA ALA A 49 0.558 -4.725 3.195 1.00 0.00 C ATOM 692 C ALA A 49 1.897 -4.002 3.184 1.00 0.00 C ATOM 693 O ALA A 49 1.998 -2.866 2.723 1.00 0.00 O ATOM 694 CB ALA A 49 0.222 -5.245 1.806 1.00 0.00 C ATOM 0 H ALA A 49 -0.490 -2.913 3.296 1.00 0.00 H new ATOM 0 HA ALA A 49 0.644 -5.569 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.026 -5.892 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.708 -5.812 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.107 -4.405 1.121 1.00 0.00 H new ATOM 700 N ALA A 50 2.923 -4.672 3.694 1.00 0.00 N ATOM 701 CA ALA A 50 4.260 -4.099 3.745 1.00 0.00 C ATOM 702 C ALA A 50 5.285 -5.049 3.139 1.00 0.00 C ATOM 703 O ALA A 50 5.164 -6.266 3.262 1.00 0.00 O ATOM 704 CB ALA A 50 4.630 -3.760 5.179 1.00 0.00 C ATOM 0 H ALA A 50 2.853 -5.614 4.078 1.00 0.00 H new ATOM 0 HA ALA A 50 4.262 -3.182 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.632 -3.332 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.917 -3.038 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.607 -4.666 5.785 1.00 0.00 H new ATOM 710 N ILE A 51 6.291 -4.487 2.482 1.00 0.00 N ATOM 711 CA ILE A 51 7.331 -5.289 1.855 1.00 0.00 C ATOM 712 C ILE A 51 8.721 -4.830 2.284 1.00 0.00 C ATOM 713 O ILE A 51 8.944 -3.646 2.540 1.00 0.00 O ATOM 714 CB ILE A 51 7.227 -5.232 0.317 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.228 -6.196 -0.323 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.452 -3.811 -0.184 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.705 -6.864 -1.577 1.00 0.00 C ATOM 0 H ILE A 51 6.408 -3.480 2.370 1.00 0.00 H new ATOM 0 HA ILE A 51 7.182 -6.317 2.185 1.00 0.00 H new ATOM 0 HB ILE A 51 6.222 -5.539 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.141 -5.652 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.497 -6.963 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.375 -3.792 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.699 -3.150 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.444 -3.473 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.466 -7.533 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.808 -7.436 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.463 -6.104 -2.320 1.00 0.00 H new ATOM 729 N ASN A 52 9.652 -5.775 2.359 1.00 0.00 N ATOM 730 CA ASN A 52 11.022 -5.473 2.755 1.00 0.00 C ATOM 731 C ASN A 52 11.917 -5.324 1.532 1.00 0.00 C ATOM 732 O ASN A 52 11.520 -5.642 0.411 1.00 0.00 O ATOM 733 CB ASN A 52 11.557 -6.571 3.680 1.00 0.00 C ATOM 734 CG ASN A 52 13.021 -6.409 4.040 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.870 -7.181 3.595 1.00 0.00 O ATOM 736 ND2 ASN A 52 13.323 -5.404 4.854 1.00 0.00 N ATOM 0 H ASN A 52 9.482 -6.759 2.150 1.00 0.00 H new ATOM 0 HA ASN A 52 11.025 -4.526 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.966 -6.581 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.416 -7.539 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.291 -5.248 5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.587 -4.788 5.199 1.00 0.00 H new ATOM 800 N ARG A 57 10.236 -11.183 1.447 1.00 0.00 N ATOM 801 CA ARG A 57 9.034 -11.454 2.247 1.00 0.00 C ATOM 802 C ARG A 57 8.187 -10.196 2.423 1.00 0.00 C ATOM 803 O ARG A 57 8.706 -9.079 2.403 1.00 0.00 O ATOM 804 CB ARG A 57 9.399 -12.009 3.630 1.00 0.00 C ATOM 805 CG ARG A 57 10.669 -12.846 3.659 1.00 0.00 C ATOM 806 CD ARG A 57 11.885 -11.999 4.000 1.00 0.00 C ATOM 807 NE ARG A 57 12.561 -12.467 5.208 1.00 0.00 N ATOM 808 CZ ARG A 57 12.202 -12.122 6.443 1.00 0.00 C ATOM 809 NH1 ARG A 57 11.170 -11.312 6.644 1.00 0.00 N ATOM 810 NH2 ARG A 57 12.879 -12.590 7.483 1.00 0.00 N ATOM 0 HA ARG A 57 8.456 -12.200 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.512 -11.176 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.570 -12.616 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.563 -13.645 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.815 -13.321 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.584 -12.017 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.577 -10.962 4.136 1.00 0.00 H new ATOM 0 HE ARG A 57 13.356 -13.096 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.645 -10.948 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.902 -11.053 7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.673 -13.213 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.606 -12.327 8.430 1.00 0.00 H new ATOM 824 N THR A 58 6.883 -10.384 2.591 1.00 0.00 N ATOM 825 CA THR A 58 5.968 -9.265 2.766 1.00 0.00 C ATOM 826 C THR A 58 5.200 -9.387 4.078 1.00 0.00 C ATOM 827 O THR A 58 5.407 -10.324 4.848 1.00 0.00 O ATOM 828 CB THR A 58 4.986 -9.198 1.596 1.00 0.00 C ATOM 829 OG1 THR A 58 5.402 -10.044 0.538 1.00 0.00 O ATOM 830 CG2 THR A 58 4.820 -7.804 1.030 1.00 0.00 C ATOM 0 H THR A 58 6.437 -11.301 2.610 1.00 0.00 H new ATOM 0 HA THR A 58 6.557 -8.348 2.795 1.00 0.00 H new ATOM 0 HB THR A 58 4.030 -9.522 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.759 -9.987 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.110 -7.829 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.448 -7.137 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.783 -7.440 0.670 1.00 0.00 H new ATOM 838 N TYR A 59 4.313 -8.430 4.319 1.00 0.00 N ATOM 839 CA TYR A 59 3.504 -8.414 5.531 1.00 0.00 C ATOM 840 C TYR A 59 2.069 -8.009 5.207 1.00 0.00 C ATOM 841 O TYR A 59 1.734 -6.825 5.216 1.00 0.00 O ATOM 842 CB TYR A 59 4.105 -7.446 6.550 1.00 0.00 C ATOM 843 CG TYR A 59 3.278 -7.288 7.807 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.827 -8.398 8.510 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.948 -6.028 8.289 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.071 -8.257 9.658 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.192 -5.878 9.436 1.00 0.00 C ATOM 848 CZ TYR A 59 1.756 -6.995 10.117 1.00 0.00 C ATOM 849 OH TYR A 59 1.002 -6.850 11.259 1.00 0.00 O ATOM 0 H TYR A 59 4.135 -7.650 3.686 1.00 0.00 H new ATOM 0 HA TYR A 59 3.495 -9.417 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.101 -7.794 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.226 -6.469 6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.071 -9.388 8.153 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.288 -5.151 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.729 -9.130 10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.944 -4.891 9.797 1.00 0.00 H new ATOM 0 HH TYR A 59 0.871 -5.897 11.446 1.00 0.00 H new ATOM 859 N TYR A 60 1.230 -8.997 4.914 1.00 0.00 N ATOM 860 CA TYR A 60 -0.162 -8.747 4.578 1.00 0.00 C ATOM 861 C TYR A 60 -0.999 -8.530 5.835 1.00 0.00 C ATOM 862 O TYR A 60 -0.650 -9.004 6.915 1.00 0.00 O ATOM 863 CB TYR A 60 -0.720 -9.922 3.779 1.00 0.00 C ATOM 864 CG TYR A 60 -0.054 -10.125 2.435 1.00 0.00 C ATOM 865 CD1 TYR A 60 1.285 -10.489 2.346 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.766 -9.957 1.254 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.894 -10.678 1.120 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.164 -10.146 0.024 1.00 0.00 C ATOM 869 CZ TYR A 60 1.165 -10.506 -0.037 1.00 0.00 C ATOM 870 OH TYR A 60 1.768 -10.694 -1.260 1.00 0.00 O ATOM 0 H TYR A 60 1.494 -9.982 4.903 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.211 -7.840 3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.611 -10.833 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.788 -9.768 3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.859 -10.626 3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.807 -9.674 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.936 -10.959 1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.732 -10.012 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 60 1.116 -10.534 -1.974 1.00 0.00 H new ATOM 880 N ALA A 61 -2.106 -7.810 5.684 1.00 0.00 N ATOM 881 CA ALA A 61 -2.994 -7.530 6.804 1.00 0.00 C ATOM 882 C ALA A 61 -4.250 -8.393 6.741 1.00 0.00 C ATOM 883 O ALA A 61 -4.612 -8.912 5.682 1.00 0.00 O ATOM 884 CB ALA A 61 -3.365 -6.055 6.824 1.00 0.00 C ATOM 0 H ALA A 61 -2.409 -7.410 4.796 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.465 -7.775 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.029 -5.858 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.461 -5.454 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.871 -5.794 5.894 1.00 0.00 H new ATOM 890 N SER A 62 -4.917 -8.541 7.880 1.00 0.00 N ATOM 891 CA SER A 62 -6.128 -9.342 7.945 1.00 0.00 C ATOM 892 C SER A 62 -7.254 -8.659 7.186 1.00 0.00 C ATOM 893 O SER A 62 -7.251 -7.440 7.019 1.00 0.00 O ATOM 894 CB SER A 62 -6.539 -9.576 9.399 1.00 0.00 C ATOM 895 OG SER A 62 -7.236 -8.457 9.920 1.00 0.00 O ATOM 0 H SER A 62 -4.639 -8.118 8.766 1.00 0.00 H new ATOM 0 HA SER A 62 -5.927 -10.308 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.169 -10.463 9.463 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.653 -9.770 10.004 1.00 0.00 H new ATOM 0 HG SER A 62 -7.489 -8.633 10.850 1.00 0.00 H new ATOM 901 N SER A 63 -8.200 -9.464 6.706 1.00 0.00 N ATOM 902 CA SER A 63 -9.335 -8.966 5.932 1.00 0.00 C ATOM 903 C SER A 63 -8.974 -8.880 4.449 1.00 0.00 C ATOM 904 O SER A 63 -9.848 -8.712 3.599 1.00 0.00 O ATOM 905 CB SER A 63 -9.805 -7.598 6.447 1.00 0.00 C ATOM 906 OG SER A 63 -9.155 -6.539 5.763 1.00 0.00 O ATOM 0 H SER A 63 -8.202 -10.475 6.842 1.00 0.00 H new ATOM 0 HA SER A 63 -10.157 -9.671 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.884 -7.509 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.605 -7.521 7.516 1.00 0.00 H new ATOM 0 HG SER A 63 -8.253 -6.420 6.126 1.00 0.00 H new ATOM 912 N VAL A 64 -7.681 -9.002 4.144 1.00 0.00 N ATOM 913 CA VAL A 64 -7.213 -8.946 2.765 1.00 0.00 C ATOM 914 C VAL A 64 -5.967 -9.809 2.565 1.00 0.00 C ATOM 915 O VAL A 64 -5.265 -9.674 1.563 1.00 0.00 O ATOM 916 CB VAL A 64 -6.900 -7.499 2.336 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.132 -6.619 2.482 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.738 -6.938 3.146 1.00 0.00 C ATOM 0 H VAL A 64 -6.943 -9.140 4.835 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.020 -9.335 2.143 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.610 -7.508 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.891 -5.601 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.933 -7.008 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.456 -6.616 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.533 -5.916 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.996 -6.944 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.852 -7.553 2.985 1.00 0.00 H new ATOM 928 N ARG A 65 -5.695 -10.695 3.522 1.00 0.00 N ATOM 929 CA ARG A 65 -4.548 -11.567 3.451 1.00 0.00 C ATOM 930 C ARG A 65 -4.817 -12.714 2.495 1.00 0.00 C ATOM 931 O ARG A 65 -5.216 -13.809 2.892 1.00 0.00 O ATOM 932 CB ARG A 65 -4.207 -12.076 4.848 1.00 0.00 C ATOM 933 CG ARG A 65 -3.275 -13.271 4.867 1.00 0.00 C ATOM 934 CD ARG A 65 -1.915 -12.930 4.281 1.00 0.00 C ATOM 935 NE ARG A 65 -1.277 -14.092 3.667 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.646 -15.041 4.354 1.00 0.00 C ATOM 937 NH1 ARG A 65 -0.568 -14.972 5.678 1.00 0.00 N ATOM 938 NH2 ARG A 65 -0.092 -16.064 3.717 1.00 0.00 N ATOM 0 H ARG A 65 -6.265 -10.820 4.358 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.692 -11.012 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.751 -11.265 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.131 -12.343 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.153 -13.621 5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.720 -14.089 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.028 -12.143 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.270 -12.535 5.066 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.318 -14.181 2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.993 -14.189 6.174 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.083 -15.703 6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.150 -16.123 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.392 -16.791 4.244 1.00 0.00 H new ATOM 952 N GLY A 66 -4.602 -12.431 1.230 1.00 0.00 N ATOM 953 CA GLY A 66 -4.817 -13.413 0.191 1.00 0.00 C ATOM 954 C GLY A 66 -5.484 -12.825 -1.037 1.00 0.00 C ATOM 955 O GLY A 66 -5.619 -13.500 -2.058 1.00 0.00 O ATOM 0 H GLY A 66 -4.277 -11.524 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.860 -13.851 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.434 -14.222 0.583 1.00 0.00 H new ATOM 959 N ARG A 67 -5.905 -11.566 -0.943 1.00 0.00 N ATOM 960 CA ARG A 67 -6.563 -10.903 -2.064 1.00 0.00 C ATOM 961 C ARG A 67 -5.746 -9.716 -2.562 1.00 0.00 C ATOM 962 O ARG A 67 -5.671 -9.465 -3.764 1.00 0.00 O ATOM 963 CB ARG A 67 -7.965 -10.440 -1.663 1.00 0.00 C ATOM 964 CG ARG A 67 -8.008 -9.688 -0.343 1.00 0.00 C ATOM 965 CD ARG A 67 -9.240 -8.803 -0.249 1.00 0.00 C ATOM 966 NE ARG A 67 -10.239 -9.348 0.667 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.360 -8.714 1.003 1.00 0.00 C ATOM 968 NH1 ARG A 67 -11.635 -7.521 0.489 1.00 0.00 N ATOM 969 NH2 ARG A 67 -12.210 -9.275 1.852 1.00 0.00 N ATOM 0 H ARG A 67 -5.803 -10.989 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.644 -11.626 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.365 -9.799 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.620 -11.309 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.005 -10.399 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.111 -9.077 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.946 -7.808 0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.681 -8.689 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.067 -10.268 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.986 -7.086 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.495 -7.039 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.005 -10.192 2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.069 -8.789 2.109 1.00 0.00 H new ATOM 983 N PHE A 68 -5.135 -8.987 -1.634 1.00 0.00 N ATOM 984 CA PHE A 68 -4.327 -7.826 -1.989 1.00 0.00 C ATOM 985 C PHE A 68 -2.873 -8.235 -2.213 1.00 0.00 C ATOM 986 O PHE A 68 -2.087 -8.312 -1.269 1.00 0.00 O ATOM 987 CB PHE A 68 -4.419 -6.759 -0.892 1.00 0.00 C ATOM 988 CG PHE A 68 -5.734 -6.019 -0.860 1.00 0.00 C ATOM 989 CD1 PHE A 68 -6.906 -6.622 -1.296 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.796 -4.716 -0.389 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.108 -5.942 -1.264 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.998 -4.031 -0.355 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.155 -4.645 -0.793 1.00 0.00 C ATOM 0 H PHE A 68 -5.184 -9.179 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.713 -7.405 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.258 -7.234 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.613 -6.039 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.878 -7.637 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.895 -4.230 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.011 -6.425 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.031 -3.017 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.094 -4.112 -0.767 1.00 0.00 H new ATOM 1003 N THR A 69 -2.528 -8.508 -3.470 1.00 0.00 N ATOM 1004 CA THR A 69 -1.174 -8.924 -3.825 1.00 0.00 C ATOM 1005 C THR A 69 -0.216 -7.742 -3.831 1.00 0.00 C ATOM 1006 O THR A 69 -0.357 -6.815 -4.622 1.00 0.00 O ATOM 1007 CB THR A 69 -1.177 -9.608 -5.195 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.007 -10.756 -5.179 1.00 0.00 O ATOM 1009 CG2 THR A 69 0.198 -10.043 -5.656 1.00 0.00 C ATOM 0 H THR A 69 -3.170 -8.448 -4.261 1.00 0.00 H new ATOM 0 HA THR A 69 -0.829 -9.632 -3.071 1.00 0.00 H new ATOM 0 HB THR A 69 -1.551 -8.856 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.998 -11.179 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.120 -10.520 -6.633 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.850 -9.172 -5.728 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.615 -10.751 -4.939 1.00 0.00 H new ATOM 1017 N ILE A 70 0.762 -7.792 -2.941 1.00 0.00 N ATOM 1018 CA ILE A 70 1.755 -6.735 -2.826 1.00 0.00 C ATOM 1019 C ILE A 70 3.119 -7.217 -3.318 1.00 0.00 C ATOM 1020 O ILE A 70 3.581 -8.293 -2.936 1.00 0.00 O ATOM 1021 CB ILE A 70 1.864 -6.255 -1.364 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.032 -5.278 -1.183 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.006 -7.450 -0.434 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.588 -3.876 -0.829 1.00 0.00 C ATOM 0 H ILE A 70 0.890 -8.560 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 70 1.435 -5.901 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 70 0.950 -5.719 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.692 -5.652 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.616 -5.246 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.082 -7.102 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.134 -8.096 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.904 -8.010 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.462 -3.235 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.952 -3.484 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.029 -3.897 0.107 1.00 0.00 H new ATOM 1036 N SER A 71 3.758 -6.416 -4.167 1.00 0.00 N ATOM 1037 CA SER A 71 5.066 -6.766 -4.707 1.00 0.00 C ATOM 1038 C SER A 71 5.836 -5.518 -5.128 1.00 0.00 C ATOM 1039 O SER A 71 5.295 -4.413 -5.126 1.00 0.00 O ATOM 1040 CB SER A 71 4.910 -7.710 -5.901 1.00 0.00 C ATOM 1041 OG SER A 71 5.868 -8.754 -5.854 1.00 0.00 O ATOM 0 H SER A 71 3.391 -5.522 -4.494 1.00 0.00 H new ATOM 0 HA SER A 71 5.631 -7.270 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.906 -8.134 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.023 -7.150 -6.829 1.00 0.00 H new ATOM 0 HG SER A 71 5.746 -9.345 -6.627 1.00 0.00 H new ATOM 1047 N ARG A 72 7.102 -5.704 -5.490 1.00 0.00 N ATOM 1048 CA ARG A 72 7.948 -4.595 -5.914 1.00 0.00 C ATOM 1049 C ARG A 72 8.162 -4.620 -7.423 1.00 0.00 C ATOM 1050 O ARG A 72 8.092 -5.676 -8.052 1.00 0.00 O ATOM 1051 CB ARG A 72 9.298 -4.656 -5.198 1.00 0.00 C ATOM 1052 CG ARG A 72 10.029 -3.323 -5.163 1.00 0.00 C ATOM 1053 CD ARG A 72 11.499 -3.497 -4.810 1.00 0.00 C ATOM 1054 NE ARG A 72 12.147 -4.516 -5.635 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.298 -5.789 -5.270 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.841 -6.215 -4.099 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.906 -6.642 -6.085 1.00 0.00 N ATOM 0 H ARG A 72 7.564 -6.613 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 72 7.444 -3.665 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.143 -5.003 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.929 -5.394 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.943 -2.835 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.555 -2.667 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.017 -2.546 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.589 -3.771 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 72 12.506 -4.235 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.369 -5.566 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.962 -7.191 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.256 -6.323 -6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.023 -7.617 -5.808 1.00 0.00 H new ATOM 1071 N ASP A 73 8.427 -3.451 -7.997 1.00 0.00 N ATOM 1072 CA ASP A 73 8.655 -3.338 -9.433 1.00 0.00 C ATOM 1073 C ASP A 73 10.138 -3.478 -9.761 1.00 0.00 C ATOM 1074 O ASP A 73 10.504 -3.945 -10.840 1.00 0.00 O ATOM 1075 CB ASP A 73 8.131 -1.998 -9.950 1.00 0.00 C ATOM 1076 CG ASP A 73 8.113 -1.930 -11.465 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.009 -2.997 -12.106 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.204 -0.810 -12.010 1.00 0.00 O ATOM 0 H ASP A 73 8.489 -2.568 -7.490 1.00 0.00 H new ATOM 0 HA ASP A 73 8.114 -4.146 -9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.123 -1.834 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.754 -1.193 -9.560 1.00 0.00 H new ATOM 1083 N ASN A 74 10.987 -3.071 -8.823 1.00 0.00 N ATOM 1084 CA ASN A 74 12.431 -3.149 -9.009 1.00 0.00 C ATOM 1085 C ASN A 74 12.883 -2.260 -10.164 1.00 0.00 C ATOM 1086 O ASN A 74 13.911 -2.514 -10.790 1.00 0.00 O ATOM 1087 CB ASN A 74 12.857 -4.596 -9.268 1.00 0.00 C ATOM 1088 CG ASN A 74 14.262 -4.881 -8.776 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.468 -5.217 -7.610 1.00 0.00 O ATOM 1090 ND2 ASN A 74 15.239 -4.747 -9.666 1.00 0.00 N ATOM 0 H ASN A 74 10.699 -2.683 -7.925 1.00 0.00 H new ATOM 0 HA ASN A 74 12.907 -2.795 -8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.158 -5.272 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.800 -4.803 -10.337 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.206 -4.925 -9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.023 -4.466 -10.622 1.00 0.00 H new ATOM 1097 N ALA A 75 12.107 -1.215 -10.439 1.00 0.00 N ATOM 1098 CA ALA A 75 12.426 -0.289 -11.516 1.00 0.00 C ATOM 1099 C ALA A 75 12.750 1.098 -10.969 1.00 0.00 C ATOM 1100 O ALA A 75 13.582 1.816 -11.523 1.00 0.00 O ATOM 1101 CB ALA A 75 11.273 -0.214 -12.505 1.00 0.00 C ATOM 0 H ALA A 75 11.253 -0.990 -9.929 1.00 0.00 H new ATOM 0 HA ALA A 75 13.310 -0.661 -12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.525 0.482 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.091 -1.202 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.376 0.132 -11.992 1.00 0.00 H new ATOM 1107 N LYS A 76 12.087 1.466 -9.878 1.00 0.00 N ATOM 1108 CA LYS A 76 12.303 2.766 -9.252 1.00 0.00 C ATOM 1109 C LYS A 76 11.683 2.804 -7.860 1.00 0.00 C ATOM 1110 O LYS A 76 11.056 3.790 -7.473 1.00 0.00 O ATOM 1111 CB LYS A 76 11.711 3.879 -10.119 1.00 0.00 C ATOM 1112 CG LYS A 76 11.976 5.277 -9.580 1.00 0.00 C ATOM 1113 CD LYS A 76 12.926 6.056 -10.477 1.00 0.00 C ATOM 1114 CE LYS A 76 14.319 6.139 -9.876 1.00 0.00 C ATOM 1115 NZ LYS A 76 14.838 4.799 -9.486 1.00 0.00 N ATOM 0 H LYS A 76 11.395 0.882 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 76 13.377 2.924 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.123 3.802 -11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.635 3.729 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.034 5.818 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.398 5.206 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.979 5.578 -11.455 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.536 7.062 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.998 6.595 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.298 6.789 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.875 4.834 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.442 4.529 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.559 4.097 -10.201 1.00 0.00 H new ATOM 1129 N LYS A 77 11.860 1.721 -7.111 1.00 0.00 N ATOM 1130 CA LYS A 77 11.316 1.628 -5.761 1.00 0.00 C ATOM 1131 C LYS A 77 9.795 1.737 -5.784 1.00 0.00 C ATOM 1132 O LYS A 77 9.196 2.393 -4.931 1.00 0.00 O ATOM 1133 CB LYS A 77 11.907 2.727 -4.874 1.00 0.00 C ATOM 1134 CG LYS A 77 13.415 2.868 -5.003 1.00 0.00 C ATOM 1135 CD LYS A 77 13.793 3.984 -5.966 1.00 0.00 C ATOM 1136 CE LYS A 77 14.658 5.036 -5.291 1.00 0.00 C ATOM 1137 NZ LYS A 77 15.680 5.594 -6.220 1.00 0.00 N ATOM 0 H LYS A 77 12.376 0.895 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 77 11.588 0.656 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.439 3.678 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.658 2.516 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.847 3.070 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.841 1.927 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.328 3.565 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.889 4.451 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.026 5.843 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.155 4.597 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.249 6.308 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.300 4.829 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.206 6.036 -7.033 1.00 0.00 H new ATOM 1151 N THR A 78 9.176 1.090 -6.766 1.00 0.00 N ATOM 1152 CA THR A 78 7.724 1.116 -6.901 1.00 0.00 C ATOM 1153 C THR A 78 7.094 -0.130 -6.287 1.00 0.00 C ATOM 1154 O THR A 78 7.686 -1.209 -6.295 1.00 0.00 O ATOM 1155 CB THR A 78 7.327 1.222 -8.377 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.826 2.419 -8.945 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.829 1.196 -8.601 1.00 0.00 C ATOM 0 H THR A 78 9.657 0.542 -7.479 1.00 0.00 H new ATOM 0 HA THR A 78 7.354 1.991 -6.366 1.00 0.00 H new ATOM 0 HB THR A 78 7.763 0.345 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.564 2.468 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.619 1.275 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.420 0.261 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.368 2.034 -8.078 1.00 0.00 H new ATOM 1165 N VAL A 79 5.884 0.030 -5.765 1.00 0.00 N ATOM 1166 CA VAL A 79 5.158 -1.075 -5.157 1.00 0.00 C ATOM 1167 C VAL A 79 3.809 -1.265 -5.840 1.00 0.00 C ATOM 1168 O VAL A 79 3.069 -0.303 -6.050 1.00 0.00 O ATOM 1169 CB VAL A 79 4.939 -0.852 -3.650 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.272 -0.699 -2.933 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.053 0.360 -3.406 1.00 0.00 C ATOM 0 H VAL A 79 5.384 0.919 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 79 5.765 -1.971 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 79 4.432 -1.728 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.097 -0.542 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.867 -1.602 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.809 0.157 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.912 0.498 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.526 1.247 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.085 0.205 -3.882 1.00 0.00 H new ATOM 1181 N TYR A 80 3.496 -2.506 -6.190 1.00 0.00 N ATOM 1182 CA TYR A 80 2.237 -2.813 -6.854 1.00 0.00 C ATOM 1183 C TYR A 80 1.341 -3.652 -5.953 1.00 0.00 C ATOM 1184 O TYR A 80 1.679 -4.781 -5.597 1.00 0.00 O ATOM 1185 CB TYR A 80 2.499 -3.541 -8.172 1.00 0.00 C ATOM 1186 CG TYR A 80 3.288 -2.727 -9.162 1.00 0.00 C ATOM 1187 CD1 TYR A 80 2.990 -1.391 -9.385 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.330 -3.300 -9.878 1.00 0.00 C ATOM 1189 CE1 TYR A 80 3.710 -0.647 -10.295 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.054 -2.562 -10.789 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.739 -1.238 -10.992 1.00 0.00 C ATOM 1192 OH TYR A 80 5.460 -0.498 -11.901 1.00 0.00 O ATOM 0 H TYR A 80 4.096 -3.314 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 80 1.723 -1.876 -7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.036 -4.467 -7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.545 -3.818 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.183 -0.927 -8.838 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.577 -4.339 -9.719 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.468 0.393 -10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.863 -3.019 -11.340 1.00 0.00 H new ATOM 0 HH TYR A 80 5.282 0.456 -11.761 1.00 0.00 H new ATOM 1202 N LEU A 81 0.200 -3.084 -5.580 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.748 -3.763 -4.713 1.00 0.00 C ATOM 1204 C LEU A 81 -2.040 -4.072 -5.472 1.00 0.00 C ATOM 1205 O LEU A 81 -2.865 -3.189 -5.704 1.00 0.00 O ATOM 1206 CB LEU A 81 -1.003 -2.896 -3.466 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.441 -2.854 -2.928 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.517 -3.503 -1.555 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.941 -1.416 -2.866 1.00 0.00 C ATOM 0 H LEU A 81 -0.090 -2.149 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.336 -4.718 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.353 -3.252 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.697 -1.875 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.081 -3.415 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.543 -3.464 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.197 -4.542 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.866 -2.969 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.961 -1.402 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.297 -0.835 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.923 -0.981 -3.865 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.199 -5.336 -5.862 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.374 -5.780 -6.599 1.00 0.00 C ATOM 1223 C GLN A 82 -4.508 -6.147 -5.649 1.00 0.00 C ATOM 1224 O GLN A 82 -4.531 -7.244 -5.093 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.019 -6.983 -7.464 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.911 -7.146 -8.683 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.523 -8.339 -9.534 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -2.761 -8.211 -10.492 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.048 -9.509 -9.188 1.00 0.00 N ATOM 0 H GLN A 82 -1.520 -6.074 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.708 -4.960 -7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.984 -6.890 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.081 -7.886 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.946 -7.257 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.861 -6.241 -9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.675 -9.569 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.824 -10.347 -9.724 1.00 0.00 H new ATOM 1238 N MET A 83 -5.446 -5.225 -5.468 1.00 0.00 N ATOM 1239 CA MET A 83 -6.579 -5.455 -4.583 1.00 0.00 C ATOM 1240 C MET A 83 -7.683 -6.224 -5.300 1.00 0.00 C ATOM 1241 O MET A 83 -8.586 -5.627 -5.885 1.00 0.00 O ATOM 1242 CB MET A 83 -7.129 -4.128 -4.066 1.00 0.00 C ATOM 1243 CG MET A 83 -6.053 -3.136 -3.676 1.00 0.00 C ATOM 1244 SD MET A 83 -6.380 -1.474 -4.296 1.00 0.00 S ATOM 1245 CE MET A 83 -7.798 -1.014 -3.303 1.00 0.00 C ATOM 0 H MET A 83 -5.444 -4.312 -5.922 1.00 0.00 H new ATOM 0 HA MET A 83 -6.230 -6.051 -3.740 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.761 -3.682 -4.834 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.765 -4.320 -3.202 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.970 -3.104 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.092 -3.480 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.498 -0.441 -3.911 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.291 -1.913 -2.933 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.470 -0.407 -2.459 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.607 -7.550 -5.255 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.599 -8.393 -5.898 1.00 0.00 C ATOM 1257 C ASN A 84 -9.735 -8.720 -4.937 1.00 0.00 C ATOM 1258 O ASN A 84 -9.693 -8.348 -3.764 1.00 0.00 O ATOM 1259 CB ASN A 84 -7.963 -9.689 -6.409 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.444 -9.656 -6.412 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.834 -8.651 -6.777 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.826 -10.760 -6.006 1.00 0.00 N ATOM 0 H ASN A 84 -6.865 -8.062 -4.778 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.004 -7.842 -6.747 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.300 -10.519 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.317 -9.884 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.807 -10.797 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.371 -11.571 -5.712 1.00 0.00 H new ATOM 1269 N SER A 85 -10.745 -9.425 -5.446 1.00 0.00 N ATOM 1270 CA SER A 85 -11.907 -9.822 -4.647 1.00 0.00 C ATOM 1271 C SER A 85 -12.272 -8.757 -3.612 1.00 0.00 C ATOM 1272 O SER A 85 -12.473 -9.062 -2.436 1.00 0.00 O ATOM 1273 CB SER A 85 -11.632 -11.154 -3.951 1.00 0.00 C ATOM 1274 OG SER A 85 -12.808 -11.939 -3.865 1.00 0.00 O ATOM 0 H SER A 85 -10.783 -9.736 -6.417 1.00 0.00 H new ATOM 0 HA SER A 85 -12.754 -9.932 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.865 -11.702 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.240 -10.971 -2.951 1.00 0.00 H new ATOM 0 HG SER A 85 -12.604 -12.786 -3.417 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.348 -7.508 -4.056 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.679 -6.400 -3.168 1.00 0.00 C ATOM 1282 C LEU A 86 -14.071 -6.568 -2.573 1.00 0.00 C ATOM 1283 O LEU A 86 -14.866 -7.384 -3.038 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.585 -5.068 -3.917 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.539 -4.095 -3.369 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.143 -4.530 -3.784 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.827 -2.677 -3.844 1.00 0.00 C ATOM 0 H LEU A 86 -12.185 -7.237 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.957 -6.400 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.358 -5.271 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.561 -4.583 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.592 -4.105 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.410 -3.828 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.941 -5.527 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.076 -4.548 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.073 -1.999 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.802 -2.646 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.813 -2.369 -3.495 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.354 -5.784 -1.541 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.647 -5.833 -0.871 1.00 0.00 C ATOM 1301 C LYS A 87 -16.166 -4.421 -0.611 1.00 0.00 C ATOM 1302 O LYS A 87 -15.408 -3.454 -0.676 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.526 -6.602 0.447 1.00 0.00 C ATOM 1304 CG LYS A 87 -15.442 -8.110 0.268 1.00 0.00 C ATOM 1305 CD LYS A 87 -16.608 -8.643 -0.550 1.00 0.00 C ATOM 1306 CE LYS A 87 -16.647 -10.163 -0.541 1.00 0.00 C ATOM 1307 NZ LYS A 87 -17.222 -10.711 -1.800 1.00 0.00 N ATOM 0 H LYS A 87 -13.703 -5.104 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.356 -6.349 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.639 -6.258 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.385 -6.367 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.504 -8.367 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.432 -8.593 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.543 -8.252 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.527 -8.286 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.638 -10.551 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.239 -10.506 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.231 -11.750 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.194 -10.361 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.643 -10.405 -2.608 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.471 -4.278 -0.316 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.078 -2.968 -0.053 1.00 0.00 C ATOM 1323 C PRO A 88 -17.685 -2.387 1.305 1.00 0.00 C ATOM 1324 O PRO A 88 -18.238 -1.376 1.737 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.577 -3.263 -0.093 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.689 -4.692 0.310 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.459 -5.373 -0.226 1.00 0.00 C ATOM 0 HA PRO A 88 -17.750 -2.221 -0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.127 -2.614 0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.987 -3.099 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.747 -4.788 1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.594 -5.143 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.118 -6.168 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.644 -5.828 -1.199 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.728 -3.024 1.972 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.266 -2.560 3.276 1.00 0.00 C ATOM 1337 C GLU A 89 -14.792 -2.150 3.227 1.00 0.00 C ATOM 1338 O GLU A 89 -14.180 -1.891 4.264 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.471 -3.654 4.328 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.500 -3.292 5.387 1.00 0.00 C ATOM 1341 CD GLU A 89 -16.869 -2.749 6.656 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -15.627 -2.627 6.698 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -17.619 -2.445 7.608 1.00 0.00 O ATOM 0 H GLU A 89 -16.257 -3.862 1.632 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.853 -1.684 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.782 -4.572 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.518 -3.862 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.187 -2.549 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.092 -4.175 5.629 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.225 -2.093 2.023 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.828 -1.714 1.856 1.00 0.00 C ATOM 1352 C ASP A 90 -12.688 -0.224 1.537 1.00 0.00 C ATOM 1353 O ASP A 90 -11.577 0.306 1.499 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.183 -2.548 0.746 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.668 -3.882 1.250 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.828 -3.883 2.174 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.104 -4.925 0.718 1.00 0.00 O ATOM 0 H ASP A 90 -14.712 -2.304 1.152 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.315 -1.908 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.912 -2.719 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.359 -1.986 0.306 1.00 0.00 H new ATOM 1362 N THR A 91 -13.815 0.450 1.308 1.00 0.00 N ATOM 1363 CA THR A 91 -13.812 1.869 0.994 1.00 0.00 C ATOM 1364 C THR A 91 -13.105 2.676 2.082 1.00 0.00 C ATOM 1365 O THR A 91 -13.584 2.764 3.212 1.00 0.00 O ATOM 1366 CB THR A 91 -15.252 2.345 0.834 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.894 1.640 -0.212 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.374 3.825 0.541 1.00 0.00 C ATOM 0 H THR A 91 -14.744 0.029 1.336 1.00 0.00 H new ATOM 0 HA THR A 91 -13.265 2.023 0.064 1.00 0.00 H new ATOM 0 HB THR A 91 -15.728 2.150 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.854 1.837 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.426 4.090 0.440 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.933 4.395 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.851 4.057 -0.387 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.962 3.262 1.732 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.191 4.059 2.682 1.00 0.00 C ATOM 1378 C ALA A 92 -10.058 4.807 1.987 1.00 0.00 C ATOM 1379 O ALA A 92 -9.958 4.800 0.762 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.640 3.169 3.784 1.00 0.00 C ATOM 0 H ALA A 92 -11.551 3.200 0.801 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.858 4.800 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.067 3.773 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.465 2.687 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.993 2.408 3.348 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.197 5.443 2.780 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.063 6.183 2.245 1.00 0.00 C ATOM 1388 C VAL A 93 -6.810 5.314 2.267 1.00 0.00 C ATOM 1389 O VAL A 93 -6.202 5.120 3.317 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.814 7.468 3.059 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.554 8.181 2.585 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.020 8.391 2.976 1.00 0.00 C ATOM 0 H VAL A 93 -9.266 5.459 3.798 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.294 6.459 1.216 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.665 7.187 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.403 9.084 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.695 7.520 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.661 8.449 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.828 9.294 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.201 8.660 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.896 7.882 3.377 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.435 4.784 1.107 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.274 3.927 0.999 1.00 0.00 C ATOM 1404 C TYR A 94 -4.000 4.747 0.827 1.00 0.00 C ATOM 1405 O TYR A 94 -3.688 5.202 -0.273 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.458 2.989 -0.188 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.265 1.750 0.130 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.649 1.811 0.237 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.646 0.520 0.319 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.394 0.683 0.523 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.385 -0.613 0.605 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.758 -0.526 0.706 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.498 -1.652 0.988 1.00 0.00 O ATOM 0 H TYR A 94 -6.926 4.938 0.227 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.176 3.349 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.948 3.533 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.477 2.688 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.151 2.756 0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.571 0.448 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.469 0.748 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.890 -1.562 0.749 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.031 -2.191 1.660 1.00 0.00 H new ATOM 1423 N THR A 95 -3.268 4.933 1.919 1.00 0.00 N ATOM 1424 CA THR A 95 -2.029 5.700 1.881 1.00 0.00 C ATOM 1425 C THR A 95 -0.816 4.781 1.982 1.00 0.00 C ATOM 1426 O THR A 95 -0.739 3.937 2.870 1.00 0.00 O ATOM 1427 CB THR A 95 -2.002 6.724 3.016 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.135 7.572 2.953 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.769 7.601 3.002 1.00 0.00 C ATOM 0 H THR A 95 -3.510 4.565 2.839 1.00 0.00 H new ATOM 0 HA THR A 95 -1.987 6.225 0.927 1.00 0.00 H new ATOM 0 HB THR A 95 -1.999 6.137 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.101 8.219 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.814 8.305 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.121 6.979 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.725 8.152 2.062 1.00 0.00 H new ATOM 1437 N CYS A 96 0.133 4.959 1.071 1.00 0.00 N ATOM 1438 CA CYS A 96 1.348 4.147 1.067 1.00 0.00 C ATOM 1439 C CYS A 96 2.501 4.910 1.710 1.00 0.00 C ATOM 1440 O CYS A 96 2.569 6.136 1.624 1.00 0.00 O ATOM 1441 CB CYS A 96 1.726 3.720 -0.359 1.00 0.00 C ATOM 1442 SG CYS A 96 1.334 4.942 -1.656 1.00 0.00 S ATOM 0 H CYS A 96 0.087 5.655 0.327 1.00 0.00 H new ATOM 0 HA CYS A 96 1.150 3.247 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.795 3.511 -0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.212 2.787 -0.592 1.00 0.00 H new ATOM 1447 N GLY A 97 3.400 4.180 2.365 1.00 0.00 N ATOM 1448 CA GLY A 97 4.528 4.818 3.018 1.00 0.00 C ATOM 1449 C GLY A 97 5.681 3.867 3.281 1.00 0.00 C ATOM 1450 O GLY A 97 5.695 2.739 2.784 1.00 0.00 O ATOM 0 H GLY A 97 3.368 3.164 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.880 5.643 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.197 5.248 3.963 1.00 0.00 H new ATOM 1454 N ALA A 98 6.650 4.330 4.066 1.00 0.00 N ATOM 1455 CA ALA A 98 7.821 3.530 4.403 1.00 0.00 C ATOM 1456 C ALA A 98 8.130 3.617 5.889 1.00 0.00 C ATOM 1457 O ALA A 98 7.514 4.395 6.618 1.00 0.00 O ATOM 1458 CB ALA A 98 9.018 3.981 3.580 1.00 0.00 C ATOM 0 H ALA A 98 6.646 5.261 4.482 1.00 0.00 H new ATOM 0 HA ALA A 98 7.605 2.488 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.887 3.377 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.797 3.861 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.230 5.029 3.790 1.00 0.00 H new ATOM 1464 N GLY A 99 9.083 2.810 6.332 1.00 0.00 N ATOM 1465 CA GLY A 99 9.453 2.806 7.736 1.00 0.00 C ATOM 1466 C GLY A 99 10.923 2.516 7.954 1.00 0.00 C ATOM 1467 O GLY A 99 11.643 2.196 7.014 1.00 0.00 O ATOM 0 H GLY A 99 9.607 2.159 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.209 3.774 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.858 2.059 8.262 1.00 0.00 H new ATOM 1471 N GLU A 100 11.370 2.629 9.201 1.00 0.00 N ATOM 1472 CA GLU A 100 12.768 2.377 9.535 1.00 0.00 C ATOM 1473 C GLU A 100 12.928 2.089 11.023 1.00 0.00 C ATOM 1474 O GLU A 100 12.221 2.658 11.855 1.00 0.00 O ATOM 1475 CB GLU A 100 13.634 3.573 9.136 1.00 0.00 C ATOM 1476 CG GLU A 100 14.061 3.556 7.678 1.00 0.00 C ATOM 1477 CD GLU A 100 15.169 4.548 7.382 1.00 0.00 C ATOM 1478 OE1 GLU A 100 15.298 5.536 8.136 1.00 0.00 O ATOM 1479 OE2 GLU A 100 15.907 4.338 6.397 1.00 0.00 O ATOM 0 H GLU A 100 10.786 2.893 9.995 1.00 0.00 H new ATOM 0 HA GLU A 100 13.097 1.500 8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.082 4.492 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.523 3.593 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.396 2.553 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.200 3.781 7.049 1.00 0.00 H new ATOM 1486 N GLY A 101 13.859 1.200 11.351 1.00 0.00 N ATOM 1487 CA GLY A 101 14.095 0.847 12.734 1.00 0.00 C ATOM 1488 C GLY A 101 12.878 0.223 13.392 1.00 0.00 C ATOM 1489 O GLY A 101 12.803 0.140 14.618 1.00 0.00 O ATOM 0 H GLY A 101 14.455 0.717 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.931 0.150 12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.386 1.739 13.288 1.00 0.00 H new ATOM 1493 N GLY A 102 11.922 -0.216 12.577 1.00 0.00 N ATOM 1494 CA GLY A 102 10.719 -0.828 13.106 1.00 0.00 C ATOM 1495 C GLY A 102 9.547 0.135 13.158 1.00 0.00 C ATOM 1496 O GLY A 102 8.432 -0.256 13.504 1.00 0.00 O ATOM 0 H GLY A 102 11.961 -0.158 11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.452 -1.686 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.919 -1.205 14.109 1.00 0.00 H new ATOM 1500 N THR A 103 9.797 1.398 12.821 1.00 0.00 N ATOM 1501 CA THR A 103 8.760 2.413 12.839 1.00 0.00 C ATOM 1502 C THR A 103 8.356 2.793 11.416 1.00 0.00 C ATOM 1503 O THR A 103 8.905 2.273 10.445 1.00 0.00 O ATOM 1504 CB THR A 103 9.282 3.637 13.579 1.00 0.00 C ATOM 1505 OG1 THR A 103 9.996 3.251 14.741 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.203 4.608 14.008 1.00 0.00 C ATOM 0 H THR A 103 10.714 1.739 12.532 1.00 0.00 H new ATOM 0 HA THR A 103 7.879 2.021 13.348 1.00 0.00 H new ATOM 0 HB THR A 103 9.925 4.144 12.860 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.326 4.050 15.203 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.658 5.451 14.528 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.668 4.969 13.129 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.505 4.104 14.676 1.00 0.00 H new ATOM 1514 N TRP A 104 7.398 3.705 11.304 1.00 0.00 N ATOM 1515 CA TRP A 104 6.920 4.163 10.004 1.00 0.00 C ATOM 1516 C TRP A 104 6.693 5.671 10.019 1.00 0.00 C ATOM 1517 O TRP A 104 5.723 6.157 10.601 1.00 0.00 O ATOM 1518 CB TRP A 104 5.626 3.439 9.628 1.00 0.00 C ATOM 1519 CG TRP A 104 5.809 1.966 9.430 1.00 0.00 C ATOM 1520 CD1 TRP A 104 5.861 1.008 10.402 1.00 0.00 C ATOM 1521 CD2 TRP A 104 5.968 1.281 8.182 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.042 -0.230 9.834 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.110 -0.089 8.473 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.002 1.692 6.846 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.285 -1.048 7.478 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.175 0.739 5.860 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.314 -0.617 6.180 1.00 0.00 C ATOM 0 H TRP A 104 6.935 4.144 12.100 1.00 0.00 H new ATOM 0 HA TRP A 104 7.680 3.933 9.257 1.00 0.00 H new ATOM 0 HB2 TRP A 104 4.885 3.604 10.410 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.226 3.875 8.712 1.00 0.00 H new ATOM 0 HD1 TRP A 104 5.773 1.196 11.462 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.114 -1.111 10.343 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.895 2.736 6.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.394 -2.094 7.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.203 1.046 4.825 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.447 -1.337 5.386 1.00 0.00 H new ATOM 1538 N ASP A 105 7.599 6.407 9.383 1.00 0.00 N ATOM 1539 CA ASP A 105 7.502 7.861 9.333 1.00 0.00 C ATOM 1540 C ASP A 105 7.298 8.361 7.899 1.00 0.00 C ATOM 1541 O ASP A 105 6.972 9.528 7.686 1.00 0.00 O ATOM 1542 CB ASP A 105 8.759 8.488 9.962 1.00 0.00 C ATOM 1543 CG ASP A 105 9.466 9.479 9.052 1.00 0.00 C ATOM 1544 OD1 ASP A 105 9.017 10.643 8.979 1.00 0.00 O ATOM 1545 OD2 ASP A 105 10.467 9.090 8.414 1.00 0.00 O ATOM 0 H ASP A 105 8.408 6.021 8.896 1.00 0.00 H new ATOM 0 HA ASP A 105 6.628 8.168 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.479 8.993 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.455 7.694 10.231 1.00 0.00 H new ATOM 1550 N SER A 106 7.491 7.479 6.921 1.00 0.00 N ATOM 1551 CA SER A 106 7.323 7.852 5.523 1.00 0.00 C ATOM 1552 C SER A 106 5.908 7.540 5.050 1.00 0.00 C ATOM 1553 O SER A 106 5.385 6.456 5.302 1.00 0.00 O ATOM 1554 CB SER A 106 8.345 7.116 4.653 1.00 0.00 C ATOM 1555 OG SER A 106 9.312 8.013 4.135 1.00 0.00 O ATOM 0 H SER A 106 7.762 6.507 7.072 1.00 0.00 H new ATOM 0 HA SER A 106 7.489 8.925 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.839 6.343 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.834 6.613 3.832 1.00 0.00 H new ATOM 0 HG SER A 106 10.164 7.879 4.600 1.00 0.00 H new ATOM 1561 N TRP A 107 5.293 8.498 4.365 1.00 0.00 N ATOM 1562 CA TRP A 107 3.939 8.324 3.859 1.00 0.00 C ATOM 1563 C TRP A 107 3.765 9.023 2.516 1.00 0.00 C ATOM 1564 O TRP A 107 4.587 9.851 2.122 1.00 0.00 O ATOM 1565 CB TRP A 107 2.922 8.870 4.861 1.00 0.00 C ATOM 1566 CG TRP A 107 3.152 8.397 6.263 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.982 8.957 7.188 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.543 7.268 6.899 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.928 8.245 8.363 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.051 7.203 8.210 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.616 6.306 6.487 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.663 6.214 9.111 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.232 5.325 7.381 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.755 5.286 8.680 1.00 0.00 C ATOM 0 H TRP A 107 5.712 9.402 4.148 1.00 0.00 H new ATOM 0 HA TRP A 107 3.767 7.257 3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.955 9.959 4.843 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.920 8.577 4.547 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.593 9.832 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.455 8.458 9.210 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.207 6.329 5.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.064 6.181 10.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.517 4.576 7.073 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.435 4.507 9.356 1.00 0.00 H new ATOM 1585 N GLY A 108 2.689 8.682 1.818 1.00 0.00 N ATOM 1586 CA GLY A 108 2.420 9.282 0.526 1.00 0.00 C ATOM 1587 C GLY A 108 1.274 10.274 0.572 1.00 0.00 C ATOM 1588 O GLY A 108 0.853 10.697 1.648 1.00 0.00 O ATOM 0 H GLY A 108 1.996 7.999 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.318 9.786 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.188 8.497 -0.194 1.00 0.00 H new ATOM 1592 N GLN A 109 0.769 10.643 -0.600 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.337 11.589 -0.691 1.00 0.00 C ATOM 1594 C GLN A 109 -1.652 10.926 -0.300 1.00 0.00 C ATOM 1595 O GLN A 109 -2.566 11.581 0.201 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.438 12.148 -2.108 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.157 13.485 -2.187 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.567 14.403 -3.239 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.051 13.947 -4.260 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -0.639 15.707 -2.995 1.00 0.00 N ATOM 0 H GLN A 109 1.108 10.302 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.142 12.407 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.566 12.261 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.960 11.427 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.210 13.314 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.111 13.976 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.075 16.042 -2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.258 16.373 -3.667 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.738 9.620 -0.532 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.943 8.884 -0.200 1.00 0.00 C ATOM 1611 C GLY A 110 -3.860 8.700 -1.392 1.00 0.00 C ATOM 1612 O GLY A 110 -3.861 9.515 -2.315 1.00 0.00 O ATOM 0 H GLY A 110 -0.993 9.058 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.669 7.907 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.480 9.410 0.589 1.00 0.00 H new ATOM 1616 N THR A 111 -4.647 7.630 -1.371 1.00 0.00 N ATOM 1617 CA THR A 111 -5.579 7.341 -2.453 1.00 0.00 C ATOM 1618 C THR A 111 -6.811 6.635 -1.903 1.00 0.00 C ATOM 1619 O THR A 111 -6.722 5.517 -1.400 1.00 0.00 O ATOM 1620 CB THR A 111 -4.906 6.478 -3.523 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.860 6.000 -4.455 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.176 5.279 -2.958 1.00 0.00 C ATOM 0 H THR A 111 -4.657 6.947 -0.614 1.00 0.00 H new ATOM 0 HA THR A 111 -5.885 8.281 -2.912 1.00 0.00 H new ATOM 0 HB THR A 111 -4.177 7.132 -4.002 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.631 6.322 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.723 4.712 -3.771 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.398 5.616 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.881 4.644 -2.422 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.958 7.298 -1.983 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.191 6.735 -1.477 1.00 0.00 C ATOM 1632 C GLN A 112 -9.791 5.741 -2.466 1.00 0.00 C ATOM 1633 O GLN A 112 -9.742 5.945 -3.679 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.176 7.862 -1.180 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.809 7.776 0.202 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.254 7.316 0.169 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.564 6.398 -0.736 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.083 7.783 0.950 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.054 8.226 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.977 6.190 -0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.660 8.817 -1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.965 7.850 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.229 7.088 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.756 8.754 0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.801 8.488 1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.051 7.465 0.916 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.365 4.669 -1.931 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.988 3.640 -2.742 1.00 0.00 C ATOM 1649 C VAL A 113 -12.490 3.608 -2.479 1.00 0.00 C ATOM 1650 O VAL A 113 -12.923 3.606 -1.326 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.378 2.262 -2.426 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.179 1.141 -3.077 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.923 2.211 -2.867 1.00 0.00 C ATOM 0 H VAL A 113 -10.409 4.493 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.810 3.872 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.419 2.115 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.723 0.181 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.203 1.161 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.184 1.278 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.507 1.230 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.862 2.388 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.356 2.979 -2.340 1.00 0.00 H new ATOM 1663 N THR A 114 -13.277 3.592 -3.548 1.00 0.00 N ATOM 1664 CA THR A 114 -14.727 3.571 -3.426 1.00 0.00 C ATOM 1665 C THR A 114 -15.298 2.227 -3.868 1.00 0.00 C ATOM 1666 O THR A 114 -14.946 1.709 -4.928 1.00 0.00 O ATOM 1667 CB THR A 114 -15.340 4.702 -4.255 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.897 5.963 -3.784 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.854 4.712 -4.236 1.00 0.00 C ATOM 0 H THR A 114 -12.934 3.593 -4.509 1.00 0.00 H new ATOM 0 HA THR A 114 -14.981 3.717 -2.376 1.00 0.00 H new ATOM 0 HB THR A 114 -15.009 4.520 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.415 6.674 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.220 5.539 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.229 3.772 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.204 4.832 -3.211 1.00 0.00 H new ATOM 1677 N VAL A 115 -16.188 1.673 -3.050 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.817 0.398 -3.351 1.00 0.00 C ATOM 1679 C VAL A 115 -18.282 0.425 -2.937 1.00 0.00 C ATOM 1680 O VAL A 115 -18.725 1.337 -2.238 1.00 0.00 O ATOM 1681 CB VAL A 115 -16.112 -0.775 -2.637 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.356 -2.078 -3.382 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.619 -0.508 -2.498 1.00 0.00 C ATOM 0 H VAL A 115 -16.489 2.092 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.734 0.244 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.534 -0.866 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.851 -2.893 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.426 -2.280 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.965 -1.996 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.145 -1.349 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -14.178 -0.384 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.464 0.400 -1.915 1.00 0.00 H new ATOM 1693 N SER A 116 -19.029 -0.575 -3.375 1.00 0.00 N ATOM 1694 CA SER A 116 -20.448 -0.666 -3.055 1.00 0.00 C ATOM 1695 C SER A 116 -21.002 -2.043 -3.397 1.00 0.00 C ATOM 1696 O SER A 116 -21.603 -2.710 -2.555 1.00 0.00 O ATOM 1697 CB SER A 116 -21.228 0.410 -3.810 1.00 0.00 C ATOM 1698 OG SER A 116 -20.991 0.329 -5.205 1.00 0.00 O ATOM 0 H SER A 116 -18.678 -1.337 -3.954 1.00 0.00 H new ATOM 0 HA SER A 116 -20.562 -0.509 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 116 -22.294 0.297 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.939 1.396 -3.446 1.00 0.00 H new ATOM 0 HG SER A 116 -21.503 1.027 -5.665 1.00 0.00 H new