USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 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 -19:sc= -1.75 USER MOD Set 1.2: A 34 MET CE :methyl 151:sc= -3.6! (180deg=-2.86!) USER MOD Set 2.1: A 17 SER OG : rot 174:sc= -1.74 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.802 USER MOD Set 2.3: A 82 GLN : amide:sc= 1.02 K(o=1.4,f=-6.9!) USER MOD Set 2.4: A 84 ASN :FLIP amide:sc= 1.27 F(o=-0.047,f=1.4) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -2.34 K(o=-2.3,f=-6.2!) USER MOD Single : A 7 SER OG : rot 39:sc= 0.064 USER MOD Single : A 13 GLN : amide:sc= -2.6 K(o=-2.6,f=-8.5!) USER MOD Single : A 21 SER OG : rot -109:sc= 0.158 USER MOD Single : A 39 GLN : amide:sc= -5.45! C(o=-5.5!,f=-17!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 119:sc= 0.997 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0137 F(o=-0.55,f=-0.014) 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 -94:sc= -2.06! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.159 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 0.277 (180deg=0.0644) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 0:sc= -1.39 USER MOD Single : A 83 MET CE :methyl -142:sc= -5.96! (180deg=-9.47!) 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 180:sc= 0.0993 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.281 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 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 111 THR OG1 : rot 150:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.653 F(o=-3,f=-0.65) USER MOD Single : A 114 THR OG1 : rot -160:sc= 0 USER MOD Single : A 116 SER OG : rot 5:sc= 0.242 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.269 10.914 -0.251 1.00 0.00 N ATOM 37 CA GLN A 3 8.973 11.239 -0.834 1.00 0.00 C ATOM 38 C GLN A 3 8.301 9.991 -1.397 1.00 0.00 C ATOM 39 O GLN A 3 8.972 9.056 -1.834 1.00 0.00 O ATOM 40 CB GLN A 3 9.135 12.285 -1.938 1.00 0.00 C ATOM 41 CG GLN A 3 9.369 13.693 -1.415 1.00 0.00 C ATOM 42 CD GLN A 3 8.145 14.578 -1.552 1.00 0.00 C ATOM 43 OE1 GLN A 3 7.198 14.472 -0.773 1.00 0.00 O ATOM 44 NE2 GLN A 3 8.160 15.458 -2.546 1.00 0.00 N ATOM 0 HA GLN A 3 8.340 11.647 -0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.971 12.000 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.242 12.283 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.661 13.643 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.201 14.144 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.967 15.511 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.365 16.081 -2.688 1.00 0.00 H new ATOM 53 N LEU A 4 6.972 9.986 -1.385 1.00 0.00 N ATOM 54 CA LEU A 4 6.207 8.854 -1.896 1.00 0.00 C ATOM 55 C LEU A 4 4.888 9.322 -2.503 1.00 0.00 C ATOM 56 O LEU A 4 4.336 10.345 -2.099 1.00 0.00 O ATOM 57 CB LEU A 4 5.939 7.845 -0.776 1.00 0.00 C ATOM 58 CG LEU A 4 7.191 7.265 -0.114 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.568 8.075 1.117 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.971 5.805 0.255 1.00 0.00 C ATOM 0 H LEU A 4 6.402 10.753 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 4 6.795 8.370 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.332 8.328 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.347 7.024 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 4 8.014 7.320 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.460 7.648 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.767 9.107 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.747 8.052 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.871 5.409 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.135 5.727 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.749 5.232 -0.645 1.00 0.00 H new ATOM 72 N GLN A 5 4.388 8.568 -3.477 1.00 0.00 N ATOM 73 CA GLN A 5 3.133 8.909 -4.138 1.00 0.00 C ATOM 74 C GLN A 5 2.464 7.666 -4.715 1.00 0.00 C ATOM 75 O GLN A 5 3.040 6.579 -4.705 1.00 0.00 O ATOM 76 CB GLN A 5 3.380 9.932 -5.249 1.00 0.00 C ATOM 77 CG GLN A 5 4.235 9.401 -6.387 1.00 0.00 C ATOM 78 CD GLN A 5 5.712 9.378 -6.045 1.00 0.00 C ATOM 79 OE1 GLN A 5 6.186 8.480 -5.349 1.00 0.00 O ATOM 80 NE2 GLN A 5 6.449 10.369 -6.535 1.00 0.00 N ATOM 0 H GLN A 5 4.832 7.718 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 5 2.466 9.344 -3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.421 10.260 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.864 10.810 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.909 8.392 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.080 10.019 -7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.015 11.093 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.449 10.406 -6.339 1.00 0.00 H new ATOM 89 N GLU A 6 1.244 7.835 -5.217 1.00 0.00 N ATOM 90 CA GLU A 6 0.493 6.725 -5.799 1.00 0.00 C ATOM 91 C GLU A 6 0.246 6.959 -7.286 1.00 0.00 C ATOM 92 O GLU A 6 0.394 8.076 -7.782 1.00 0.00 O ATOM 93 CB GLU A 6 -0.850 6.531 -5.074 1.00 0.00 C ATOM 94 CG GLU A 6 -1.021 7.394 -3.831 1.00 0.00 C ATOM 95 CD GLU A 6 -0.178 6.913 -2.666 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.559 5.907 -2.032 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.864 7.544 -2.388 1.00 0.00 O ATOM 0 H GLU A 6 0.754 8.729 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 6 1.091 5.822 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.660 6.751 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.949 5.483 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.752 8.423 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.071 7.398 -3.538 1.00 0.00 H new ATOM 104 N SER A 7 -0.133 5.898 -7.991 1.00 0.00 N ATOM 105 CA SER A 7 -0.404 5.987 -9.421 1.00 0.00 C ATOM 106 C SER A 7 -1.329 4.860 -9.869 1.00 0.00 C ATOM 107 O SER A 7 -0.896 3.723 -10.051 1.00 0.00 O ATOM 108 CB SER A 7 0.905 5.938 -10.215 1.00 0.00 C ATOM 109 OG SER A 7 1.299 7.234 -10.631 1.00 0.00 O ATOM 0 H SER A 7 -0.259 4.966 -7.595 1.00 0.00 H new ATOM 0 HA SER A 7 -0.900 6.938 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.690 5.496 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.781 5.295 -11.086 1.00 0.00 H new ATOM 0 HG SER A 7 1.115 7.877 -9.915 1.00 0.00 H new ATOM 115 N GLY A 8 -2.606 5.184 -10.042 1.00 0.00 N ATOM 116 CA GLY A 8 -3.572 4.187 -10.465 1.00 0.00 C ATOM 117 C GLY A 8 -4.476 3.741 -9.333 1.00 0.00 C ATOM 118 O GLY A 8 -4.190 2.754 -8.654 1.00 0.00 O ATOM 0 H GLY A 8 -2.989 6.118 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.180 4.594 -11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.045 3.322 -10.868 1.00 0.00 H new ATOM 122 N GLY A 9 -5.570 4.467 -9.131 1.00 0.00 N ATOM 123 CA GLY A 9 -6.502 4.134 -8.084 1.00 0.00 C ATOM 124 C GLY A 9 -7.750 4.992 -8.126 1.00 0.00 C ATOM 125 O GLY A 9 -7.717 6.124 -8.608 1.00 0.00 O ATOM 0 H GLY A 9 -5.824 5.287 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.783 3.085 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.015 4.254 -7.116 1.00 0.00 H new ATOM 129 N GLY A 10 -8.855 4.451 -7.624 1.00 0.00 N ATOM 130 CA GLY A 10 -10.105 5.188 -7.620 1.00 0.00 C ATOM 131 C GLY A 10 -11.291 4.310 -7.288 1.00 0.00 C ATOM 132 O GLY A 10 -11.149 3.281 -6.627 1.00 0.00 O ATOM 0 H GLY A 10 -8.907 3.516 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.043 5.999 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.257 5.645 -8.598 1.00 0.00 H new ATOM 136 N LEU A 11 -12.465 4.726 -7.740 1.00 0.00 N ATOM 137 CA LEU A 11 -13.687 3.990 -7.487 1.00 0.00 C ATOM 138 C LEU A 11 -13.704 2.671 -8.247 1.00 0.00 C ATOM 139 O LEU A 11 -13.365 2.618 -9.429 1.00 0.00 O ATOM 140 CB LEU A 11 -14.891 4.836 -7.880 1.00 0.00 C ATOM 141 CG LEU A 11 -14.897 6.217 -7.238 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.623 7.295 -8.277 1.00 0.00 C ATOM 143 CD2 LEU A 11 -16.215 6.480 -6.520 1.00 0.00 C ATOM 0 H LEU A 11 -12.593 5.577 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.735 3.765 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.909 4.948 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.803 4.309 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.099 6.247 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.632 8.274 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.647 7.123 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.393 7.262 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.193 7.473 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.036 6.424 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.360 5.732 -5.741 1.00 0.00 H new ATOM 155 N VAL A 12 -14.097 1.609 -7.557 1.00 0.00 N ATOM 156 CA VAL A 12 -14.154 0.285 -8.165 1.00 0.00 C ATOM 157 C VAL A 12 -15.360 -0.502 -7.665 1.00 0.00 C ATOM 158 O VAL A 12 -15.582 -0.620 -6.460 1.00 0.00 O ATOM 159 CB VAL A 12 -12.872 -0.517 -7.881 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.666 -0.689 -6.383 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.916 -1.868 -8.581 1.00 0.00 C ATOM 0 H VAL A 12 -14.381 1.637 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.248 0.435 -9.241 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.024 0.042 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.754 -1.259 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.580 0.291 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.516 -1.222 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.000 -2.419 -8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.774 -2.436 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.006 -1.718 -9.657 1.00 0.00 H new ATOM 171 N GLN A 13 -16.134 -1.043 -8.600 1.00 0.00 N ATOM 172 CA GLN A 13 -17.312 -1.824 -8.259 1.00 0.00 C ATOM 173 C GLN A 13 -16.902 -3.157 -7.634 1.00 0.00 C ATOM 174 O GLN A 13 -16.027 -3.853 -8.150 1.00 0.00 O ATOM 175 CB GLN A 13 -18.176 -2.027 -9.517 1.00 0.00 C ATOM 176 CG GLN A 13 -18.656 -3.454 -9.750 1.00 0.00 C ATOM 177 CD GLN A 13 -19.831 -3.824 -8.866 1.00 0.00 C ATOM 178 OE1 GLN A 13 -19.655 -4.311 -7.749 1.00 0.00 O ATOM 179 NE2 GLN A 13 -21.041 -3.592 -9.363 1.00 0.00 N ATOM 0 H GLN A 13 -15.964 -0.953 -9.602 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.907 -1.287 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.046 -1.374 -9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.603 -1.706 -10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.941 -3.572 -10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.834 -4.145 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -21.141 -3.187 -10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -21.870 -3.819 -8.814 1.00 0.00 H new ATOM 188 N ALA A 14 -17.535 -3.504 -6.516 1.00 0.00 N ATOM 189 CA ALA A 14 -17.236 -4.745 -5.814 1.00 0.00 C ATOM 190 C ALA A 14 -17.165 -5.929 -6.773 1.00 0.00 C ATOM 191 O ALA A 14 -17.776 -5.915 -7.842 1.00 0.00 O ATOM 192 CB ALA A 14 -18.275 -5.001 -4.734 1.00 0.00 C ATOM 0 H ALA A 14 -18.261 -2.939 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.256 -4.637 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.040 -5.931 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.268 -4.177 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.262 -5.078 -5.190 1.00 0.00 H new ATOM 198 N GLY A 15 -16.414 -6.950 -6.381 1.00 0.00 N ATOM 199 CA GLY A 15 -16.272 -8.131 -7.213 1.00 0.00 C ATOM 200 C GLY A 15 -15.146 -8.006 -8.225 1.00 0.00 C ATOM 201 O GLY A 15 -14.793 -8.980 -8.888 1.00 0.00 O ATOM 0 H GLY A 15 -15.900 -6.982 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.089 -8.998 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.209 -8.314 -7.739 1.00 0.00 H new ATOM 205 N GLY A 16 -14.583 -6.807 -8.347 1.00 0.00 N ATOM 206 CA GLY A 16 -13.501 -6.591 -9.290 1.00 0.00 C ATOM 207 C GLY A 16 -12.144 -6.535 -8.617 1.00 0.00 C ATOM 208 O GLY A 16 -11.991 -6.964 -7.473 1.00 0.00 O ATOM 0 H GLY A 16 -14.856 -5.983 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.503 -7.392 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.674 -5.659 -9.829 1.00 0.00 H new ATOM 212 N SER A 17 -11.155 -6.005 -9.330 1.00 0.00 N ATOM 213 CA SER A 17 -9.802 -5.893 -8.799 1.00 0.00 C ATOM 214 C SER A 17 -9.191 -4.540 -9.144 1.00 0.00 C ATOM 215 O SER A 17 -9.389 -4.020 -10.243 1.00 0.00 O ATOM 216 CB SER A 17 -8.924 -7.015 -9.348 1.00 0.00 C ATOM 217 OG SER A 17 -8.022 -7.487 -8.363 1.00 0.00 O ATOM 0 H SER A 17 -11.266 -5.646 -10.278 1.00 0.00 H new ATOM 0 HA SER A 17 -9.857 -5.980 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.552 -7.836 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.367 -6.655 -10.213 1.00 0.00 H new ATOM 0 HG SER A 17 -7.535 -8.263 -8.710 1.00 0.00 H new ATOM 223 N LEU A 18 -8.444 -3.974 -8.201 1.00 0.00 N ATOM 224 CA LEU A 18 -7.803 -2.683 -8.408 1.00 0.00 C ATOM 225 C LEU A 18 -6.319 -2.760 -8.068 1.00 0.00 C ATOM 226 O LEU A 18 -5.940 -3.287 -7.024 1.00 0.00 O ATOM 227 CB LEU A 18 -8.483 -1.612 -7.557 1.00 0.00 C ATOM 228 CG LEU A 18 -7.906 -0.209 -7.716 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.584 0.522 -8.864 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.050 0.576 -6.422 1.00 0.00 C ATOM 0 H LEU A 18 -8.269 -4.390 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.904 -2.414 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.543 -1.585 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.413 -1.902 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.845 -0.298 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.159 1.521 -8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.428 -0.031 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.653 0.601 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.633 1.574 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.105 0.655 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.515 0.062 -5.623 1.00 0.00 H new ATOM 242 N ARG A 19 -5.481 -2.239 -8.958 1.00 0.00 N ATOM 243 CA ARG A 19 -4.038 -2.260 -8.749 1.00 0.00 C ATOM 244 C ARG A 19 -3.490 -0.856 -8.510 1.00 0.00 C ATOM 245 O ARG A 19 -3.561 0.007 -9.384 1.00 0.00 O ATOM 246 CB ARG A 19 -3.341 -2.891 -9.955 1.00 0.00 C ATOM 247 CG ARG A 19 -1.827 -2.951 -9.824 1.00 0.00 C ATOM 248 CD ARG A 19 -1.351 -4.354 -9.485 1.00 0.00 C ATOM 249 NE ARG A 19 -1.367 -5.233 -10.651 1.00 0.00 N ATOM 250 CZ ARG A 19 -0.551 -5.096 -11.693 1.00 0.00 C ATOM 251 NH1 ARG A 19 0.353 -4.124 -11.713 1.00 0.00 N ATOM 252 NH2 ARG A 19 -0.637 -5.934 -12.717 1.00 0.00 N ATOM 0 H ARG A 19 -5.776 -1.798 -9.829 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.838 -2.858 -7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.725 -3.901 -10.098 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.597 -2.323 -10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.367 -2.625 -10.757 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.500 -2.258 -9.049 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.340 -4.306 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.986 -4.774 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.043 -5.997 -10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.424 -3.478 -10.927 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.976 -4.023 -12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.329 -6.684 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.012 -5.829 -13.516 1.00 0.00 H new ATOM 266 N LEU A 20 -2.935 -0.639 -7.321 1.00 0.00 N ATOM 267 CA LEU A 20 -2.366 0.652 -6.968 1.00 0.00 C ATOM 268 C LEU A 20 -0.844 0.597 -7.009 1.00 0.00 C ATOM 269 O LEU A 20 -0.229 -0.334 -6.488 1.00 0.00 O ATOM 270 CB LEU A 20 -2.833 1.081 -5.577 1.00 0.00 C ATOM 271 CG LEU A 20 -4.294 0.762 -5.263 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.597 1.037 -3.799 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.214 1.568 -6.166 1.00 0.00 C ATOM 0 H LEU A 20 -2.869 -1.344 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.710 1.385 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.202 0.596 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.680 2.155 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.469 -0.297 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.642 0.804 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.957 0.416 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.410 2.088 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.252 1.331 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.039 2.632 -6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.011 1.319 -7.208 1.00 0.00 H new ATOM 285 N SER A 21 -0.247 1.603 -7.632 1.00 0.00 N ATOM 286 CA SER A 21 1.203 1.683 -7.749 1.00 0.00 C ATOM 287 C SER A 21 1.745 2.847 -6.929 1.00 0.00 C ATOM 288 O SER A 21 1.199 3.949 -6.965 1.00 0.00 O ATOM 289 CB SER A 21 1.608 1.843 -9.215 1.00 0.00 C ATOM 290 OG SER A 21 1.501 3.194 -9.632 1.00 0.00 O ATOM 0 H SER A 21 -0.747 2.379 -8.066 1.00 0.00 H new ATOM 0 HA SER A 21 1.629 0.757 -7.362 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.633 1.498 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.974 1.215 -9.841 1.00 0.00 H new ATOM 0 HG SER A 21 0.741 3.288 -10.243 1.00 0.00 H new ATOM 296 N CYS A 22 2.817 2.597 -6.188 1.00 0.00 N ATOM 297 CA CYS A 22 3.422 3.632 -5.360 1.00 0.00 C ATOM 298 C CYS A 22 4.937 3.646 -5.518 1.00 0.00 C ATOM 299 O CYS A 22 5.601 2.624 -5.342 1.00 0.00 O ATOM 300 CB CYS A 22 3.050 3.422 -3.892 1.00 0.00 C ATOM 301 SG CYS A 22 1.638 4.429 -3.337 1.00 0.00 S ATOM 0 H CYS A 22 3.283 1.691 -6.143 1.00 0.00 H new ATOM 0 HA CYS A 22 3.036 4.596 -5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.817 2.369 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.915 3.654 -3.271 1.00 0.00 H new ATOM 306 N ALA A 23 5.477 4.814 -5.848 1.00 0.00 N ATOM 307 CA ALA A 23 6.915 4.968 -6.029 1.00 0.00 C ATOM 308 C ALA A 23 7.546 5.657 -4.824 1.00 0.00 C ATOM 309 O ALA A 23 6.890 6.429 -4.125 1.00 0.00 O ATOM 310 CB ALA A 23 7.208 5.749 -7.301 1.00 0.00 C ATOM 0 H ALA A 23 4.940 5.668 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 23 7.354 3.975 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.286 5.856 -7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.797 5.215 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.751 6.736 -7.235 1.00 0.00 H new ATOM 316 N ALA A 24 8.822 5.373 -4.587 1.00 0.00 N ATOM 317 CA ALA A 24 9.540 5.967 -3.465 1.00 0.00 C ATOM 318 C ALA A 24 10.914 6.469 -3.896 1.00 0.00 C ATOM 319 O ALA A 24 11.793 5.681 -4.244 1.00 0.00 O ATOM 320 CB ALA A 24 9.675 4.959 -2.335 1.00 0.00 C ATOM 0 H ALA A 24 9.380 4.736 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 24 8.966 6.822 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.213 5.414 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.684 4.652 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.225 4.087 -2.689 1.00 0.00 H new ATOM 414 N TYR A 32 14.958 0.154 5.104 1.00 0.00 N ATOM 415 CA TYR A 32 13.709 0.810 4.754 1.00 0.00 C ATOM 416 C TYR A 32 12.848 -0.088 3.865 1.00 0.00 C ATOM 417 O TYR A 32 13.350 -0.748 2.955 1.00 0.00 O ATOM 418 CB TYR A 32 14.033 2.139 4.053 1.00 0.00 C ATOM 419 CG TYR A 32 13.193 2.451 2.829 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.344 1.720 1.655 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.262 3.481 2.844 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.588 2.005 0.535 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.503 3.772 1.726 1.00 0.00 C ATOM 424 CZ TYR A 32 11.669 3.031 0.575 1.00 0.00 C ATOM 425 OH TYR A 32 10.916 3.319 -0.539 1.00 0.00 O ATOM 0 HA TYR A 32 13.133 1.007 5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.911 2.949 4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.083 2.129 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.064 0.916 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.129 4.064 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.716 1.427 -0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.783 4.576 1.754 1.00 0.00 H new ATOM 0 HH TYR A 32 11.346 2.936 -1.332 1.00 0.00 H new ATOM 435 N ASP A 33 11.546 -0.103 4.142 1.00 0.00 N ATOM 436 CA ASP A 33 10.604 -0.914 3.378 1.00 0.00 C ATOM 437 C ASP A 33 9.494 -0.044 2.792 1.00 0.00 C ATOM 438 O ASP A 33 9.513 1.178 2.935 1.00 0.00 O ATOM 439 CB ASP A 33 10.000 -1.999 4.271 1.00 0.00 C ATOM 440 CG ASP A 33 11.060 -2.837 4.959 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.150 -3.010 4.375 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.799 -3.319 6.081 1.00 0.00 O ATOM 0 H ASP A 33 11.119 0.440 4.893 1.00 0.00 H new ATOM 0 HA ASP A 33 11.144 -1.386 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.363 -1.534 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.362 -2.647 3.670 1.00 0.00 H new ATOM 447 N MET A 34 8.527 -0.678 2.133 1.00 0.00 N ATOM 448 CA MET A 34 7.414 0.052 1.532 1.00 0.00 C ATOM 449 C MET A 34 6.121 -0.758 1.601 1.00 0.00 C ATOM 450 O MET A 34 6.074 -1.906 1.161 1.00 0.00 O ATOM 451 CB MET A 34 7.736 0.403 0.077 1.00 0.00 C ATOM 452 CG MET A 34 7.473 1.860 -0.269 1.00 0.00 C ATOM 453 SD MET A 34 7.378 2.145 -2.047 1.00 0.00 S ATOM 454 CE MET A 34 8.948 1.470 -2.582 1.00 0.00 C ATOM 0 H MET A 34 8.491 -1.689 2.002 1.00 0.00 H new ATOM 0 HA MET A 34 7.269 0.972 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.783 0.175 -0.120 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.142 -0.231 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.540 2.177 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.266 2.478 0.152 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.855 1.096 -3.602 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.709 2.249 -2.549 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.237 0.653 -1.921 1.00 0.00 H new ATOM 464 N GLY A 35 5.074 -0.152 2.154 1.00 0.00 N ATOM 465 CA GLY A 35 3.796 -0.835 2.268 1.00 0.00 C ATOM 466 C GLY A 35 2.615 0.114 2.189 1.00 0.00 C ATOM 467 O GLY A 35 2.771 1.323 2.358 1.00 0.00 O ATOM 0 H GLY A 35 5.087 0.798 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.714 -1.578 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.760 -1.375 3.214 1.00 0.00 H new ATOM 471 N TRP A 36 1.430 -0.433 1.928 1.00 0.00 N ATOM 472 CA TRP A 36 0.224 0.370 1.823 1.00 0.00 C ATOM 473 C TRP A 36 -0.490 0.481 3.162 1.00 0.00 C ATOM 474 O TRP A 36 -0.339 -0.372 4.039 1.00 0.00 O ATOM 475 CB TRP A 36 -0.710 -0.228 0.784 1.00 0.00 C ATOM 476 CG TRP A 36 -0.194 -0.120 -0.619 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.700 -0.951 -1.229 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.541 0.878 -1.587 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.931 -0.532 -2.518 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.180 0.589 -2.761 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.393 1.987 -1.575 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.075 1.368 -3.910 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.496 2.760 -2.717 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.766 2.447 -3.870 1.00 0.00 C ATOM 0 H TRP A 36 1.284 -1.432 1.786 1.00 0.00 H new ATOM 0 HA TRP A 36 0.516 1.374 1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.878 -1.279 1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.677 0.272 0.846 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.159 -1.812 -0.767 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.559 -0.982 -3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.960 2.235 -0.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.637 1.129 -4.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.150 3.619 -2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.869 3.070 -4.746 1.00 0.00 H new ATOM 495 N PHE A 37 -1.260 1.550 3.312 1.00 0.00 N ATOM 496 CA PHE A 37 -1.992 1.805 4.534 1.00 0.00 C ATOM 497 C PHE A 37 -3.404 2.297 4.227 1.00 0.00 C ATOM 498 O PHE A 37 -3.797 2.400 3.065 1.00 0.00 O ATOM 499 CB PHE A 37 -1.247 2.852 5.354 1.00 0.00 C ATOM 500 CG PHE A 37 -0.255 2.276 6.321 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.863 1.595 5.868 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.439 2.421 7.687 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.778 1.066 6.759 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.472 1.896 8.583 1.00 0.00 C ATOM 505 CZ PHE A 37 1.582 1.216 8.118 1.00 0.00 C ATOM 0 H PHE A 37 -1.391 2.259 2.590 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.070 0.877 5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.727 3.528 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.972 3.450 5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.022 1.476 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.305 2.951 8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.645 0.536 6.393 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.317 2.017 9.645 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.295 0.803 8.816 1.00 0.00 H new ATOM 515 N ARG A 38 -4.158 2.605 5.276 1.00 0.00 N ATOM 516 CA ARG A 38 -5.524 3.093 5.122 1.00 0.00 C ATOM 517 C ARG A 38 -5.905 3.995 6.290 1.00 0.00 C ATOM 518 O ARG A 38 -5.248 3.984 7.331 1.00 0.00 O ATOM 519 CB ARG A 38 -6.517 1.933 5.018 1.00 0.00 C ATOM 520 CG ARG A 38 -5.880 0.551 4.988 1.00 0.00 C ATOM 521 CD ARG A 38 -6.850 -0.518 5.465 1.00 0.00 C ATOM 522 NE ARG A 38 -7.863 -0.827 4.460 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.018 -1.429 4.733 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.309 -1.790 5.977 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.885 -1.671 3.760 1.00 0.00 N ATOM 0 H ARG A 38 -3.846 2.525 6.244 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.567 3.669 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.203 1.983 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.113 2.063 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.553 0.321 3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.991 0.545 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.297 -1.424 5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.338 -0.182 6.380 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.674 -0.566 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.646 -1.606 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.196 -2.251 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.667 -1.396 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.770 -2.132 3.969 1.00 0.00 H new ATOM 539 N GLN A 39 -6.969 4.777 6.119 1.00 0.00 N ATOM 540 CA GLN A 39 -7.417 5.675 7.179 1.00 0.00 C ATOM 541 C GLN A 39 -8.822 6.207 6.909 1.00 0.00 C ATOM 542 O GLN A 39 -9.104 6.737 5.835 1.00 0.00 O ATOM 543 CB GLN A 39 -6.433 6.839 7.333 1.00 0.00 C ATOM 544 CG GLN A 39 -6.852 7.874 8.368 1.00 0.00 C ATOM 545 CD GLN A 39 -7.044 7.287 9.748 1.00 0.00 C ATOM 546 OE1 GLN A 39 -7.529 6.168 9.902 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.670 8.049 10.763 1.00 0.00 N ATOM 0 H GLN A 39 -7.530 4.807 5.268 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.450 5.105 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.456 6.441 7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.316 7.332 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.097 8.659 8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.781 8.345 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.272 8.972 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.780 7.714 11.720 1.00 0.00 H new ATOM 556 N ALA A 40 -9.696 6.069 7.902 1.00 0.00 N ATOM 557 CA ALA A 40 -11.070 6.541 7.790 1.00 0.00 C ATOM 558 C ALA A 40 -11.319 7.696 8.757 1.00 0.00 C ATOM 559 O ALA A 40 -10.499 7.962 9.636 1.00 0.00 O ATOM 560 CB ALA A 40 -12.044 5.403 8.055 1.00 0.00 C ATOM 0 H ALA A 40 -9.474 5.632 8.797 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.230 6.903 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.066 5.771 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.881 4.608 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.883 5.013 9.060 1.00 0.00 H new ATOM 566 N PRO A 41 -12.451 8.406 8.609 1.00 0.00 N ATOM 567 CA PRO A 41 -12.783 9.536 9.478 1.00 0.00 C ATOM 568 C PRO A 41 -13.181 9.096 10.876 1.00 0.00 C ATOM 569 O PRO A 41 -13.902 8.113 11.051 1.00 0.00 O ATOM 570 CB PRO A 41 -13.955 10.205 8.761 1.00 0.00 C ATOM 571 CG PRO A 41 -14.597 9.106 7.987 1.00 0.00 C ATOM 572 CD PRO A 41 -13.487 8.170 7.586 1.00 0.00 C ATOM 0 HA PRO A 41 -11.931 10.199 9.629 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.652 10.650 9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.614 11.006 8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.343 8.589 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.112 9.497 7.110 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.819 7.132 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.119 8.390 6.584 1.00 0.00 H new ATOM 580 N GLY A 42 -12.681 9.820 11.871 1.00 0.00 N ATOM 581 CA GLY A 42 -12.967 9.478 13.247 1.00 0.00 C ATOM 582 C GLY A 42 -12.308 8.173 13.649 1.00 0.00 C ATOM 583 O GLY A 42 -12.482 7.702 14.773 1.00 0.00 O ATOM 0 H GLY A 42 -12.083 10.637 11.747 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.619 10.278 13.901 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.045 9.399 13.386 1.00 0.00 H new ATOM 587 N LYS A 43 -11.556 7.580 12.720 1.00 0.00 N ATOM 588 CA LYS A 43 -10.881 6.324 12.967 1.00 0.00 C ATOM 589 C LYS A 43 -9.373 6.480 12.822 1.00 0.00 C ATOM 590 O LYS A 43 -8.894 7.327 12.068 1.00 0.00 O ATOM 591 CB LYS A 43 -11.391 5.290 11.975 1.00 0.00 C ATOM 592 CG LYS A 43 -11.009 3.861 12.322 1.00 0.00 C ATOM 593 CD LYS A 43 -12.003 3.237 13.288 1.00 0.00 C ATOM 594 CE LYS A 43 -11.841 1.727 13.355 1.00 0.00 C ATOM 595 NZ LYS A 43 -13.140 1.039 13.592 1.00 0.00 N ATOM 0 H LYS A 43 -11.404 7.960 11.786 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.090 6.001 13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.477 5.361 11.917 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.003 5.529 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.962 3.264 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.013 3.847 12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.863 3.663 14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.018 3.482 12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.404 1.367 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.144 1.472 14.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.986 0.011 13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.545 1.363 14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.797 1.262 12.817 1.00 0.00 H new ATOM 609 N GLU A 44 -8.632 5.649 13.540 1.00 0.00 N ATOM 610 CA GLU A 44 -7.175 5.683 13.486 1.00 0.00 C ATOM 611 C GLU A 44 -6.675 5.013 12.211 1.00 0.00 C ATOM 612 O GLU A 44 -7.369 4.183 11.623 1.00 0.00 O ATOM 613 CB GLU A 44 -6.576 4.991 14.712 1.00 0.00 C ATOM 614 CG GLU A 44 -7.310 5.302 16.007 1.00 0.00 C ATOM 615 CD GLU A 44 -6.513 4.917 17.237 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.057 3.757 17.311 1.00 0.00 O ATOM 617 OE2 GLU A 44 -6.345 5.776 18.129 1.00 0.00 O ATOM 0 H GLU A 44 -9.014 4.942 14.168 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.857 6.725 13.484 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.583 3.913 14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.533 5.291 14.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.537 6.368 16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.263 4.773 16.016 1.00 0.00 H new ATOM 624 N ARG A 45 -5.473 5.381 11.782 1.00 0.00 N ATOM 625 CA ARG A 45 -4.893 4.815 10.569 1.00 0.00 C ATOM 626 C ARG A 45 -4.516 3.349 10.768 1.00 0.00 C ATOM 627 O ARG A 45 -4.053 2.954 11.838 1.00 0.00 O ATOM 628 CB ARG A 45 -3.662 5.622 10.137 1.00 0.00 C ATOM 629 CG ARG A 45 -2.436 5.398 11.011 1.00 0.00 C ATOM 630 CD ARG A 45 -1.154 5.766 10.279 1.00 0.00 C ATOM 631 NE ARG A 45 -0.797 7.171 10.466 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.473 7.704 11.642 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.454 6.953 12.737 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.163 8.990 11.724 1.00 0.00 N ATOM 0 H ARG A 45 -4.883 6.066 12.254 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.646 4.868 9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.414 5.363 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.914 6.682 10.147 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.522 5.995 11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.393 4.353 11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.340 5.135 10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.273 5.561 9.215 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.796 7.779 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.688 5.962 12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.205 7.367 13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.173 9.571 10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.085 9.398 12.625 1.00 0.00 H new ATOM 648 N GLU A 46 -4.712 2.552 9.724 1.00 0.00 N ATOM 649 CA GLU A 46 -4.387 1.132 9.768 1.00 0.00 C ATOM 650 C GLU A 46 -3.618 0.729 8.516 1.00 0.00 C ATOM 651 O GLU A 46 -3.887 1.232 7.427 1.00 0.00 O ATOM 652 CB GLU A 46 -5.662 0.296 9.896 1.00 0.00 C ATOM 653 CG GLU A 46 -6.577 0.393 8.687 1.00 0.00 C ATOM 654 CD GLU A 46 -7.837 -0.436 8.843 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.767 0.022 9.538 1.00 0.00 O ATOM 656 OE2 GLU A 46 -7.892 -1.545 8.270 1.00 0.00 O ATOM 0 H GLU A 46 -5.096 2.867 8.833 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.761 0.946 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.388 -0.748 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.209 0.617 10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.850 1.436 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.037 0.063 7.799 1.00 0.00 H new ATOM 663 N SER A 47 -2.656 -0.173 8.671 1.00 0.00 N ATOM 664 CA SER A 47 -1.854 -0.624 7.549 1.00 0.00 C ATOM 665 C SER A 47 -2.558 -1.729 6.780 1.00 0.00 C ATOM 666 O SER A 47 -3.602 -2.232 7.195 1.00 0.00 O ATOM 667 CB SER A 47 -0.491 -1.115 8.034 1.00 0.00 C ATOM 668 OG SER A 47 0.414 -1.260 6.954 1.00 0.00 O ATOM 0 H SER A 47 -2.415 -0.604 9.564 1.00 0.00 H new ATOM 0 HA SER A 47 -1.712 0.223 6.878 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.085 -0.411 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.607 -2.070 8.546 1.00 0.00 H new ATOM 0 HG SER A 47 1.180 -0.664 7.087 1.00 0.00 H new ATOM 674 N VAL A 48 -1.969 -2.097 5.657 1.00 0.00 N ATOM 675 CA VAL A 48 -2.518 -3.146 4.804 1.00 0.00 C ATOM 676 C VAL A 48 -1.456 -4.185 4.465 1.00 0.00 C ATOM 677 O VAL A 48 -1.545 -5.337 4.885 1.00 0.00 O ATOM 678 CB VAL A 48 -3.091 -2.574 3.494 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.153 -3.502 2.926 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.655 -1.178 3.710 1.00 0.00 C ATOM 0 H VAL A 48 -1.104 -1.684 5.309 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.325 -3.616 5.366 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.278 -2.499 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.546 -3.081 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.712 -4.478 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.963 -3.613 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.053 -0.797 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.453 -1.219 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.864 -0.517 4.063 1.00 0.00 H new ATOM 690 N ALA A 49 -0.452 -3.769 3.703 1.00 0.00 N ATOM 691 CA ALA A 49 0.629 -4.662 3.310 1.00 0.00 C ATOM 692 C ALA A 49 1.944 -3.902 3.189 1.00 0.00 C ATOM 693 O ALA A 49 1.953 -2.677 3.080 1.00 0.00 O ATOM 694 CB ALA A 49 0.292 -5.353 1.997 1.00 0.00 C ATOM 0 H ALA A 49 -0.365 -2.818 3.345 1.00 0.00 H new ATOM 0 HA ALA A 49 0.745 -5.420 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.109 -6.017 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.623 -5.933 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.148 -4.604 1.218 1.00 0.00 H new ATOM 700 N ALA A 50 3.055 -4.631 3.210 1.00 0.00 N ATOM 701 CA ALA A 50 4.370 -4.012 3.101 1.00 0.00 C ATOM 702 C ALA A 50 5.427 -5.019 2.668 1.00 0.00 C ATOM 703 O ALA A 50 5.383 -6.187 3.050 1.00 0.00 O ATOM 704 CB ALA A 50 4.763 -3.369 4.422 1.00 0.00 C ATOM 0 H ALA A 50 3.071 -5.647 3.301 1.00 0.00 H new ATOM 0 HA ALA A 50 4.311 -3.240 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.747 -2.911 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.032 -2.605 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.792 -4.129 5.202 1.00 0.00 H new ATOM 710 N ILE A 51 6.378 -4.553 1.868 1.00 0.00 N ATOM 711 CA ILE A 51 7.453 -5.403 1.377 1.00 0.00 C ATOM 712 C ILE A 51 8.815 -4.830 1.753 1.00 0.00 C ATOM 713 O ILE A 51 9.008 -3.613 1.760 1.00 0.00 O ATOM 714 CB ILE A 51 7.379 -5.573 -0.153 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.484 -6.513 -0.644 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.478 -4.220 -0.845 1.00 0.00 C ATOM 717 CD1 ILE A 51 8.000 -7.544 -1.638 1.00 0.00 C ATOM 0 H ILE A 51 6.426 -3.587 1.545 1.00 0.00 H new ATOM 0 HA ILE A 51 7.330 -6.379 1.847 1.00 0.00 H new ATOM 0 HB ILE A 51 6.416 -6.017 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.276 -5.921 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.923 -7.024 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.424 -4.359 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.655 -3.584 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.426 -3.748 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.835 -8.175 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.229 -8.160 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.587 -7.041 -2.512 1.00 0.00 H new ATOM 729 N ASN A 52 9.755 -5.716 2.064 1.00 0.00 N ATOM 730 CA ASN A 52 11.094 -5.308 2.440 1.00 0.00 C ATOM 731 C ASN A 52 11.939 -5.006 1.209 1.00 0.00 C ATOM 732 O ASN A 52 11.481 -5.151 0.076 1.00 0.00 O ATOM 733 CB ASN A 52 11.751 -6.405 3.266 1.00 0.00 C ATOM 734 CG ASN A 52 11.299 -6.395 4.713 1.00 0.00 C ATOM 735 OD1 ASN A 52 12.062 -5.722 5.567 1.00 0.00 O flip ATOM 736 ND2 ASN A 52 10.276 -6.985 5.060 1.00 0.00 N flip ATOM 0 H ASN A 52 9.608 -6.725 2.061 1.00 0.00 H new ATOM 0 HA ASN A 52 11.023 -4.397 3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.521 -7.375 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.834 -6.285 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.720 -7.490 4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.985 -6.969 6.037 1.00 0.00 H new ATOM 800 N ARG A 57 10.569 -11.096 1.548 1.00 0.00 N ATOM 801 CA ARG A 57 9.295 -11.416 2.192 1.00 0.00 C ATOM 802 C ARG A 57 8.378 -10.195 2.258 1.00 0.00 C ATOM 803 O ARG A 57 8.844 -9.060 2.360 1.00 0.00 O ATOM 804 CB ARG A 57 9.537 -11.961 3.601 1.00 0.00 C ATOM 805 CG ARG A 57 10.577 -13.069 3.655 1.00 0.00 C ATOM 806 CD ARG A 57 10.197 -14.147 4.660 1.00 0.00 C ATOM 807 NE ARG A 57 11.065 -14.131 5.835 1.00 0.00 N ATOM 808 CZ ARG A 57 10.924 -13.280 6.849 1.00 0.00 C ATOM 809 NH1 ARG A 57 9.953 -12.376 6.836 1.00 0.00 N ATOM 810 NH2 ARG A 57 11.757 -13.333 7.880 1.00 0.00 N ATOM 0 HA ARG A 57 8.801 -12.178 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.855 -11.144 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.596 -12.337 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.686 -13.515 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.546 -12.647 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.162 -14.003 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.253 -15.125 4.181 1.00 0.00 H new ATOM 0 HE ARG A 57 11.823 -14.812 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.309 -12.330 6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.850 -11.727 7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.506 -14.026 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.649 -12.681 8.657 1.00 0.00 H new ATOM 824 N THR A 58 7.073 -10.441 2.196 1.00 0.00 N ATOM 825 CA THR A 58 6.089 -9.367 2.246 1.00 0.00 C ATOM 826 C THR A 58 5.334 -9.378 3.571 1.00 0.00 C ATOM 827 O THR A 58 5.591 -10.211 4.441 1.00 0.00 O ATOM 828 CB THR A 58 5.099 -9.495 1.085 1.00 0.00 C ATOM 829 OG1 THR A 58 5.544 -10.456 0.144 1.00 0.00 O ATOM 830 CG2 THR A 58 4.875 -8.195 0.342 1.00 0.00 C ATOM 0 H THR A 58 6.673 -11.375 2.111 1.00 0.00 H new ATOM 0 HA THR A 58 6.622 -8.420 2.159 1.00 0.00 H new ATOM 0 HB THR A 58 4.159 -9.800 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.895 -10.522 -0.588 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.163 -8.357 -0.468 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.480 -7.447 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.821 -7.844 -0.071 1.00 0.00 H new ATOM 838 N TYR A 59 4.402 -8.444 3.713 1.00 0.00 N ATOM 839 CA TYR A 59 3.601 -8.330 4.922 1.00 0.00 C ATOM 840 C TYR A 59 2.157 -7.987 4.572 1.00 0.00 C ATOM 841 O TYR A 59 1.902 -7.219 3.645 1.00 0.00 O ATOM 842 CB TYR A 59 4.189 -7.254 5.835 1.00 0.00 C ATOM 843 CG TYR A 59 3.371 -6.993 7.080 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.432 -7.855 8.168 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.539 -5.884 7.167 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.686 -7.619 9.307 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.791 -5.641 8.303 1.00 0.00 C ATOM 848 CZ TYR A 59 1.868 -6.511 9.369 1.00 0.00 C ATOM 849 OH TYR A 59 1.124 -6.273 10.502 1.00 0.00 O ATOM 0 H TYR A 59 4.182 -7.750 2.999 1.00 0.00 H new ATOM 0 HA TYR A 59 3.614 -9.287 5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.196 -7.551 6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.283 -6.325 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.073 -8.723 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.476 -5.201 6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.743 -8.299 10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.149 -4.774 8.355 1.00 0.00 H new ATOM 0 HH TYR A 59 0.602 -5.452 10.384 1.00 0.00 H new ATOM 859 N TYR A 60 1.214 -8.564 5.310 1.00 0.00 N ATOM 860 CA TYR A 60 -0.196 -8.318 5.068 1.00 0.00 C ATOM 861 C TYR A 60 -0.910 -7.918 6.354 1.00 0.00 C ATOM 862 O TYR A 60 -0.357 -8.040 7.447 1.00 0.00 O ATOM 863 CB TYR A 60 -0.842 -9.568 4.478 1.00 0.00 C ATOM 864 CG TYR A 60 -0.813 -9.606 2.967 1.00 0.00 C ATOM 865 CD1 TYR A 60 -1.246 -8.519 2.218 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.347 -10.726 2.290 1.00 0.00 C ATOM 867 CE1 TYR A 60 -1.217 -8.548 0.837 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.313 -10.762 0.909 1.00 0.00 C ATOM 869 CZ TYR A 60 -0.749 -9.671 0.188 1.00 0.00 C ATOM 870 OH TYR A 60 -0.717 -9.704 -1.188 1.00 0.00 O ATOM 0 H TYR A 60 1.405 -9.205 6.080 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.286 -7.494 4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.330 -10.449 4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.877 -9.626 4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.611 -7.637 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.006 -11.583 2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.559 -7.696 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.053 -11.640 0.397 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.538 -10.120 -1.524 1.00 0.00 H new ATOM 880 N ALA A 61 -2.141 -7.438 6.216 1.00 0.00 N ATOM 881 CA ALA A 61 -2.931 -7.019 7.367 1.00 0.00 C ATOM 882 C ALA A 61 -4.266 -7.755 7.416 1.00 0.00 C ATOM 883 O ALA A 61 -4.663 -8.413 6.452 1.00 0.00 O ATOM 884 CB ALA A 61 -3.157 -5.515 7.330 1.00 0.00 C ATOM 0 H ALA A 61 -2.613 -7.330 5.318 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.375 -7.271 8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.748 -5.215 8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.196 -5.002 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.689 -5.249 6.417 1.00 0.00 H new ATOM 890 N SER A 62 -4.959 -7.639 8.543 1.00 0.00 N ATOM 891 CA SER A 62 -6.245 -8.295 8.709 1.00 0.00 C ATOM 892 C SER A 62 -7.292 -7.648 7.816 1.00 0.00 C ATOM 893 O SER A 62 -7.175 -6.476 7.456 1.00 0.00 O ATOM 894 CB SER A 62 -6.691 -8.237 10.172 1.00 0.00 C ATOM 895 OG SER A 62 -5.760 -8.891 11.016 1.00 0.00 O ATOM 0 H SER A 62 -4.651 -7.098 9.351 1.00 0.00 H new ATOM 0 HA SER A 62 -6.137 -9.340 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.799 -7.197 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.671 -8.704 10.275 1.00 0.00 H new ATOM 0 HG SER A 62 -6.067 -8.838 11.945 1.00 0.00 H new ATOM 901 N SER A 63 -8.301 -8.431 7.441 1.00 0.00 N ATOM 902 CA SER A 63 -9.371 -7.962 6.563 1.00 0.00 C ATOM 903 C SER A 63 -8.954 -8.084 5.098 1.00 0.00 C ATOM 904 O SER A 63 -9.777 -7.925 4.196 1.00 0.00 O ATOM 905 CB SER A 63 -9.755 -6.512 6.882 1.00 0.00 C ATOM 906 OG SER A 63 -11.104 -6.253 6.533 1.00 0.00 O ATOM 0 H SER A 63 -8.400 -9.403 7.735 1.00 0.00 H new ATOM 0 HA SER A 63 -10.244 -8.592 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.607 -6.319 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.099 -5.831 6.340 1.00 0.00 H new ATOM 0 HG SER A 63 -11.325 -5.323 6.748 1.00 0.00 H new ATOM 912 N VAL A 64 -7.673 -8.373 4.866 1.00 0.00 N ATOM 913 CA VAL A 64 -7.156 -8.521 3.512 1.00 0.00 C ATOM 914 C VAL A 64 -5.926 -9.428 3.479 1.00 0.00 C ATOM 915 O VAL A 64 -5.181 -9.435 2.499 1.00 0.00 O ATOM 916 CB VAL A 64 -6.789 -7.157 2.900 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.031 -6.295 2.732 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.750 -6.449 3.756 1.00 0.00 C ATOM 0 H VAL A 64 -6.978 -8.508 5.600 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.951 -8.977 2.922 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.357 -7.327 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.752 -5.335 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.737 -6.799 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.495 -6.132 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.503 -5.487 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.150 -6.290 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.851 -7.062 3.818 1.00 0.00 H new ATOM 928 N ARG A 65 -5.719 -10.197 4.548 1.00 0.00 N ATOM 929 CA ARG A 65 -4.596 -11.098 4.634 1.00 0.00 C ATOM 930 C ARG A 65 -4.910 -12.389 3.900 1.00 0.00 C ATOM 931 O ARG A 65 -5.338 -13.381 4.491 1.00 0.00 O ATOM 932 CB ARG A 65 -4.263 -11.361 6.099 1.00 0.00 C ATOM 933 CG ARG A 65 -3.296 -12.505 6.322 1.00 0.00 C ATOM 934 CD ARG A 65 -1.869 -12.107 5.982 1.00 0.00 C ATOM 935 NE ARG A 65 -0.888 -12.940 6.674 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.521 -12.756 7.940 1.00 0.00 C ATOM 937 NH1 ARG A 65 -1.051 -11.773 8.657 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.379 -13.559 8.492 1.00 0.00 N ATOM 0 H ARG A 65 -6.327 -10.205 5.367 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.725 -10.646 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.841 -10.454 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.187 -11.571 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.346 -12.827 7.362 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.592 -13.357 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.717 -12.187 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.711 -11.062 6.250 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.459 -13.707 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.744 -11.153 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.765 -11.638 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.789 -14.317 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.661 -13.419 9.462 1.00 0.00 H new ATOM 952 N GLY A 66 -4.707 -12.345 2.602 1.00 0.00 N ATOM 953 CA GLY A 66 -4.974 -13.487 1.755 1.00 0.00 C ATOM 954 C GLY A 66 -5.900 -13.142 0.605 1.00 0.00 C ATOM 955 O GLY A 66 -6.221 -13.997 -0.220 1.00 0.00 O ATOM 0 H GLY A 66 -4.356 -11.525 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.034 -13.872 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.419 -14.284 2.351 1.00 0.00 H new ATOM 959 N ARG A 67 -6.330 -11.883 0.551 1.00 0.00 N ATOM 960 CA ARG A 67 -7.224 -11.425 -0.506 1.00 0.00 C ATOM 961 C ARG A 67 -6.504 -10.463 -1.445 1.00 0.00 C ATOM 962 O ARG A 67 -6.506 -10.649 -2.662 1.00 0.00 O ATOM 963 CB ARG A 67 -8.454 -10.742 0.096 1.00 0.00 C ATOM 964 CG ARG A 67 -9.044 -11.485 1.283 1.00 0.00 C ATOM 965 CD ARG A 67 -10.531 -11.207 1.430 1.00 0.00 C ATOM 966 NE ARG A 67 -10.799 -10.180 2.436 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.988 -9.993 3.005 1.00 0.00 C ATOM 968 NH1 ARG A 67 -13.019 -10.758 2.671 1.00 0.00 N ATOM 969 NH2 ARG A 67 -12.145 -9.037 3.911 1.00 0.00 N ATOM 0 H ARG A 67 -6.073 -11.164 1.227 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.545 -12.295 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.183 -9.733 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.218 -10.642 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.883 -12.556 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.525 -11.188 2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.937 -10.889 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.047 -12.127 1.705 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.030 -9.572 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.903 -11.494 1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.927 -10.610 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.355 -8.446 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.055 -8.893 4.348 1.00 0.00 H new ATOM 983 N PHE A 68 -5.890 -9.433 -0.872 1.00 0.00 N ATOM 984 CA PHE A 68 -5.166 -8.440 -1.658 1.00 0.00 C ATOM 985 C PHE A 68 -3.814 -8.984 -2.108 1.00 0.00 C ATOM 986 O PHE A 68 -3.206 -9.805 -1.422 1.00 0.00 O ATOM 987 CB PHE A 68 -4.971 -7.161 -0.839 1.00 0.00 C ATOM 988 CG PHE A 68 -6.213 -6.315 -0.717 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.466 -6.835 -1.015 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.123 -4.997 -0.302 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.600 -6.054 -0.901 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.254 -4.212 -0.187 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.495 -4.741 -0.487 1.00 0.00 C ATOM 0 H PHE A 68 -5.879 -9.264 0.134 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.756 -8.210 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.628 -7.430 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.182 -6.565 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.555 -7.861 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.156 -4.577 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.568 -6.470 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.168 -3.185 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.380 -4.129 -0.398 1.00 0.00 H new ATOM 1003 N THR A 69 -3.349 -8.523 -3.266 1.00 0.00 N ATOM 1004 CA THR A 69 -2.069 -8.967 -3.806 1.00 0.00 C ATOM 1005 C THR A 69 -1.045 -7.839 -3.773 1.00 0.00 C ATOM 1006 O THR A 69 -1.400 -6.662 -3.829 1.00 0.00 O ATOM 1007 CB THR A 69 -2.244 -9.472 -5.238 1.00 0.00 C ATOM 1008 OG1 THR A 69 -3.383 -10.309 -5.340 1.00 0.00 O ATOM 1009 CG2 THR A 69 -1.052 -10.256 -5.745 1.00 0.00 C ATOM 0 H THR A 69 -3.839 -7.843 -3.847 1.00 0.00 H new ATOM 0 HA THR A 69 -1.703 -9.783 -3.183 1.00 0.00 H new ATOM 0 HB THR A 69 -2.357 -8.576 -5.848 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.478 -10.620 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.241 -10.585 -6.767 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.165 -9.623 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.890 -11.125 -5.108 1.00 0.00 H new ATOM 1017 N ILE A 70 0.227 -8.211 -3.682 1.00 0.00 N ATOM 1018 CA ILE A 70 1.311 -7.239 -3.639 1.00 0.00 C ATOM 1019 C ILE A 70 2.475 -7.687 -4.520 1.00 0.00 C ATOM 1020 O ILE A 70 2.745 -8.881 -4.646 1.00 0.00 O ATOM 1021 CB ILE A 70 1.811 -7.032 -2.196 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.990 -6.056 -2.163 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.199 -8.367 -1.578 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.629 -4.656 -2.610 1.00 0.00 C ATOM 0 H ILE A 70 0.533 -9.183 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 70 0.919 -6.294 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 70 1.001 -6.600 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.388 -6.014 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.786 -6.439 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.551 -8.208 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.332 -9.027 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.993 -8.824 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.512 -4.019 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.259 -4.685 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.855 -4.254 -1.956 1.00 0.00 H new ATOM 1036 N SER A 71 3.161 -6.724 -5.129 1.00 0.00 N ATOM 1037 CA SER A 71 4.293 -7.029 -5.997 1.00 0.00 C ATOM 1038 C SER A 71 5.328 -5.910 -5.960 1.00 0.00 C ATOM 1039 O SER A 71 5.096 -4.853 -5.374 1.00 0.00 O ATOM 1040 CB SER A 71 3.816 -7.250 -7.433 1.00 0.00 C ATOM 1041 OG SER A 71 2.520 -7.824 -7.459 1.00 0.00 O ATOM 0 H SER A 71 2.954 -5.730 -5.038 1.00 0.00 H new ATOM 0 HA SER A 71 4.761 -7.943 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.807 -6.299 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.516 -7.902 -7.956 1.00 0.00 H new ATOM 0 HG SER A 71 2.238 -7.953 -8.389 1.00 0.00 H new ATOM 1047 N ARG A 72 6.473 -6.153 -6.590 1.00 0.00 N ATOM 1048 CA ARG A 72 7.548 -5.170 -6.631 1.00 0.00 C ATOM 1049 C ARG A 72 8.057 -4.979 -8.056 1.00 0.00 C ATOM 1050 O ARG A 72 8.125 -5.930 -8.834 1.00 0.00 O ATOM 1051 CB ARG A 72 8.699 -5.608 -5.722 1.00 0.00 C ATOM 1052 CG ARG A 72 9.062 -7.077 -5.865 1.00 0.00 C ATOM 1053 CD ARG A 72 8.188 -7.956 -4.984 1.00 0.00 C ATOM 1054 NE ARG A 72 8.901 -9.140 -4.510 1.00 0.00 N ATOM 1055 CZ ARG A 72 8.940 -10.300 -5.165 1.00 0.00 C ATOM 1056 NH1 ARG A 72 8.318 -10.439 -6.330 1.00 0.00 N ATOM 1057 NH2 ARG A 72 9.607 -11.326 -4.653 1.00 0.00 N ATOM 0 H ARG A 72 6.680 -7.024 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 72 7.152 -4.219 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.577 -5.002 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.428 -5.408 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.952 -7.380 -6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.109 -7.221 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.838 -7.378 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.305 -8.265 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 72 9.400 -9.075 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.805 -9.654 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.354 -11.331 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.089 -11.226 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.638 -12.215 -5.153 1.00 0.00 H new ATOM 1071 N ASP A 73 8.414 -3.744 -8.392 1.00 0.00 N ATOM 1072 CA ASP A 73 8.917 -3.430 -9.724 1.00 0.00 C ATOM 1073 C ASP A 73 10.409 -3.729 -9.826 1.00 0.00 C ATOM 1074 O ASP A 73 10.889 -4.205 -10.855 1.00 0.00 O ATOM 1075 CB ASP A 73 8.653 -1.961 -10.060 1.00 0.00 C ATOM 1076 CG ASP A 73 8.506 -1.726 -11.551 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.891 -2.577 -12.228 1.00 0.00 O ATOM 1078 OD2 ASP A 73 9.005 -0.691 -12.041 1.00 0.00 O ATOM 0 H ASP A 73 8.364 -2.945 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 73 8.390 -4.058 -10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.746 -1.632 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.471 -1.351 -9.678 1.00 0.00 H new ATOM 1083 N ASN A 74 11.139 -3.445 -8.751 1.00 0.00 N ATOM 1084 CA ASN A 74 12.579 -3.682 -8.717 1.00 0.00 C ATOM 1085 C ASN A 74 13.285 -2.941 -9.849 1.00 0.00 C ATOM 1086 O ASN A 74 14.352 -3.355 -10.303 1.00 0.00 O ATOM 1087 CB ASN A 74 12.873 -5.181 -8.811 1.00 0.00 C ATOM 1088 CG ASN A 74 14.008 -5.605 -7.900 1.00 0.00 C ATOM 1089 OD1 ASN A 74 15.141 -5.791 -8.346 1.00 0.00 O ATOM 1090 ND2 ASN A 74 13.709 -5.761 -6.616 1.00 0.00 N ATOM 0 H ASN A 74 10.757 -3.050 -7.892 1.00 0.00 H new ATOM 0 HA ASN A 74 12.960 -3.302 -7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.975 -5.742 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.123 -5.436 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.432 -6.046 -5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.757 -5.596 -6.290 1.00 0.00 H new ATOM 1097 N ALA A 75 12.686 -1.844 -10.299 1.00 0.00 N ATOM 1098 CA ALA A 75 13.258 -1.047 -11.374 1.00 0.00 C ATOM 1099 C ALA A 75 13.505 0.387 -10.918 1.00 0.00 C ATOM 1100 O ALA A 75 14.546 0.973 -11.214 1.00 0.00 O ATOM 1101 CB ALA A 75 12.346 -1.068 -12.591 1.00 0.00 C ATOM 0 H ALA A 75 11.803 -1.487 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 75 14.218 -1.485 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.787 -0.468 -13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.224 -2.095 -12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.373 -0.657 -12.323 1.00 0.00 H new ATOM 1107 N LYS A 76 12.540 0.944 -10.192 1.00 0.00 N ATOM 1108 CA LYS A 76 12.652 2.308 -9.691 1.00 0.00 C ATOM 1109 C LYS A 76 12.101 2.413 -8.272 1.00 0.00 C ATOM 1110 O LYS A 76 11.611 3.465 -7.862 1.00 0.00 O ATOM 1111 CB LYS A 76 11.906 3.275 -10.612 1.00 0.00 C ATOM 1112 CG LYS A 76 10.531 2.779 -11.030 1.00 0.00 C ATOM 1113 CD LYS A 76 10.521 2.312 -12.477 1.00 0.00 C ATOM 1114 CE LYS A 76 9.103 2.109 -12.987 1.00 0.00 C ATOM 1115 NZ LYS A 76 9.069 1.257 -14.207 1.00 0.00 N ATOM 0 H LYS A 76 11.673 0.471 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 76 13.708 2.576 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.799 4.235 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.507 3.450 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.226 1.959 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.800 3.577 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.032 3.046 -13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.077 1.378 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.499 1.648 -12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.654 3.078 -13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.231 1.496 -14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.927 1.423 -14.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.025 0.256 -13.930 1.00 0.00 H new ATOM 1129 N LYS A 77 12.185 1.315 -7.526 1.00 0.00 N ATOM 1130 CA LYS A 77 11.696 1.284 -6.152 1.00 0.00 C ATOM 1131 C LYS A 77 10.192 1.549 -6.105 1.00 0.00 C ATOM 1132 O LYS A 77 9.727 2.441 -5.395 1.00 0.00 O ATOM 1133 CB LYS A 77 12.448 2.314 -5.302 1.00 0.00 C ATOM 1134 CG LYS A 77 13.138 1.714 -4.088 1.00 0.00 C ATOM 1135 CD LYS A 77 13.390 2.762 -3.016 1.00 0.00 C ATOM 1136 CE LYS A 77 14.776 3.372 -3.147 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.965 4.524 -2.224 1.00 0.00 N ATOM 0 H LYS A 77 12.587 0.435 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 77 11.878 0.290 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.192 2.812 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.747 3.080 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.523 0.913 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.085 1.266 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.638 3.547 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.283 2.309 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.528 2.612 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.932 3.701 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.923 4.912 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.264 5.261 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.841 4.206 -1.242 1.00 0.00 H new ATOM 1151 N THR A 78 9.435 0.766 -6.868 1.00 0.00 N ATOM 1152 CA THR A 78 7.984 0.915 -6.914 1.00 0.00 C ATOM 1153 C THR A 78 7.288 -0.352 -6.427 1.00 0.00 C ATOM 1154 O THR A 78 7.795 -1.461 -6.601 1.00 0.00 O ATOM 1155 CB THR A 78 7.529 1.243 -8.339 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.102 2.461 -8.780 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.025 1.367 -8.476 1.00 0.00 C ATOM 0 H THR A 78 9.802 0.023 -7.462 1.00 0.00 H new ATOM 0 HA THR A 78 7.709 1.736 -6.252 1.00 0.00 H new ATOM 0 HB THR A 78 7.864 0.404 -8.949 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.801 2.653 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.772 1.600 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.555 0.426 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.665 2.164 -7.826 1.00 0.00 H new ATOM 1165 N VAL A 79 6.118 -0.177 -5.821 1.00 0.00 N ATOM 1166 CA VAL A 79 5.342 -1.300 -5.313 1.00 0.00 C ATOM 1167 C VAL A 79 3.940 -1.307 -5.914 1.00 0.00 C ATOM 1168 O VAL A 79 3.327 -0.254 -6.092 1.00 0.00 O ATOM 1169 CB VAL A 79 5.235 -1.264 -3.778 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.614 -1.356 -3.142 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.509 -0.008 -3.317 1.00 0.00 C ATOM 0 H VAL A 79 5.687 0.735 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 79 5.867 -2.209 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 79 4.653 -2.128 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.517 -1.329 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.091 -2.290 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.224 -0.515 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.445 -0.004 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.057 0.873 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.504 0.007 -3.740 1.00 0.00 H new ATOM 1181 N TYR A 80 3.439 -2.496 -6.228 1.00 0.00 N ATOM 1182 CA TYR A 80 2.111 -2.631 -6.813 1.00 0.00 C ATOM 1183 C TYR A 80 1.254 -3.598 -6.004 1.00 0.00 C ATOM 1184 O TYR A 80 1.657 -4.733 -5.752 1.00 0.00 O ATOM 1185 CB TYR A 80 2.215 -3.114 -8.257 1.00 0.00 C ATOM 1186 CG TYR A 80 3.253 -2.385 -9.061 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.032 -1.090 -9.505 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.454 -2.999 -9.386 1.00 0.00 C ATOM 1189 CE1 TYR A 80 3.982 -0.426 -10.252 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.408 -2.342 -10.130 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.167 -1.057 -10.560 1.00 0.00 C ATOM 1192 OH TYR A 80 6.117 -0.397 -11.305 1.00 0.00 O ATOM 0 H TYR A 80 3.931 -3.378 -6.088 1.00 0.00 H new ATOM 0 HA TYR A 80 1.634 -1.651 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.447 -4.179 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.245 -2.998 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.103 -0.595 -9.262 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.643 -4.008 -9.050 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.798 0.582 -10.593 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.339 -2.832 -10.375 1.00 0.00 H new ATOM 0 HH TYR A 80 5.791 0.499 -11.530 1.00 0.00 H new ATOM 1202 N LEU A 81 0.070 -3.148 -5.602 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.836 -3.983 -4.827 1.00 0.00 C ATOM 1204 C LEU A 81 -2.163 -4.158 -5.562 1.00 0.00 C ATOM 1205 O LEU A 81 -2.886 -3.190 -5.805 1.00 0.00 O ATOM 1206 CB LEU A 81 -1.039 -3.384 -3.422 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.453 -2.894 -3.083 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.656 -2.859 -1.576 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.699 -1.520 -3.685 1.00 0.00 C ATOM 0 H LEU A 81 -0.283 -2.212 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.394 -4.972 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.753 -4.136 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.351 -2.547 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.172 -3.592 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.664 -2.509 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.520 -3.860 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.929 -2.182 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.707 -1.188 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.974 -0.812 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.593 -1.573 -4.769 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.468 -5.399 -5.925 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.693 -5.712 -6.640 1.00 0.00 C ATOM 1223 C GLN A 82 -4.797 -6.141 -5.679 1.00 0.00 C ATOM 1224 O GLN A 82 -4.892 -7.312 -5.310 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.425 -6.819 -7.651 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.265 -6.714 -8.914 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.811 -7.674 -9.996 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -2.903 -7.370 -10.770 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.443 -8.840 -10.056 1.00 0.00 N ATOM 0 H GLN A 82 -1.877 -6.208 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.028 -4.814 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.370 -6.800 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.615 -7.783 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.308 -6.914 -8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.217 -5.694 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.190 -9.050 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.182 -9.526 -10.764 1.00 0.00 H new ATOM 1238 N MET A 83 -5.631 -5.187 -5.279 1.00 0.00 N ATOM 1239 CA MET A 83 -6.728 -5.468 -4.363 1.00 0.00 C ATOM 1240 C MET A 83 -7.889 -6.132 -5.096 1.00 0.00 C ATOM 1241 O MET A 83 -8.753 -5.455 -5.655 1.00 0.00 O ATOM 1242 CB MET A 83 -7.203 -4.178 -3.693 1.00 0.00 C ATOM 1243 CG MET A 83 -6.073 -3.327 -3.161 1.00 0.00 C ATOM 1244 SD MET A 83 -6.648 -1.799 -2.396 1.00 0.00 S ATOM 1245 CE MET A 83 -7.694 -1.141 -3.693 1.00 0.00 C ATOM 0 H MET A 83 -5.567 -4.213 -5.575 1.00 0.00 H new ATOM 0 HA MET A 83 -6.365 -6.153 -3.597 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.780 -3.595 -4.411 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.876 -4.430 -2.873 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.504 -3.902 -2.430 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.391 -3.085 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.582 -0.058 -3.736 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.403 -1.574 -4.650 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.734 -1.390 -3.483 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.899 -7.462 -5.095 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.944 -8.220 -5.760 1.00 0.00 C ATOM 1257 C ASN A 84 -10.095 -8.516 -4.807 1.00 0.00 C ATOM 1258 O ASN A 84 -10.031 -8.189 -3.621 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.388 -9.534 -6.320 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.870 -9.604 -6.305 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.241 -9.047 -7.333 1.00 0.00 O flip ATOM 1262 ND2 ASN A 84 -6.272 -10.151 -5.379 1.00 0.00 N flip ATOM 0 H ASN A 84 -7.190 -8.035 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.319 -7.613 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.788 -10.365 -5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.740 -9.661 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.796 -10.566 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.253 -10.189 -5.382 1.00 0.00 H new ATOM 1269 N SER A 85 -11.142 -9.145 -5.338 1.00 0.00 N ATOM 1270 CA SER A 85 -12.322 -9.505 -4.552 1.00 0.00 C ATOM 1271 C SER A 85 -12.662 -8.431 -3.519 1.00 0.00 C ATOM 1272 O SER A 85 -12.976 -8.739 -2.369 1.00 0.00 O ATOM 1273 CB SER A 85 -12.094 -10.847 -3.857 1.00 0.00 C ATOM 1274 OG SER A 85 -13.311 -11.555 -3.698 1.00 0.00 O ATOM 0 H SER A 85 -11.197 -9.418 -6.319 1.00 0.00 H new ATOM 0 HA SER A 85 -13.167 -9.586 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.395 -11.447 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.637 -10.681 -2.882 1.00 0.00 H new ATOM 0 HG SER A 85 -13.136 -12.410 -3.252 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.595 -7.171 -3.938 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.891 -6.054 -3.051 1.00 0.00 C ATOM 1282 C LEU A 86 -14.283 -6.191 -2.445 1.00 0.00 C ATOM 1283 O LEU A 86 -15.150 -6.868 -2.997 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.774 -4.728 -3.807 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.829 -3.705 -3.173 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.453 -3.777 -3.818 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.403 -2.301 -3.294 1.00 0.00 C ATOM 0 H LEU A 86 -12.338 -6.899 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.163 -6.065 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.434 -4.934 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.766 -4.284 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.725 -3.944 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.795 -3.042 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.038 -4.775 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.539 -3.565 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.717 -1.587 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.538 -2.053 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.366 -2.256 -2.784 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.484 -5.546 -1.303 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.765 -5.593 -0.611 1.00 0.00 C ATOM 1301 C LYS A 87 -16.308 -4.185 -0.376 1.00 0.00 C ATOM 1302 O LYS A 87 -15.610 -3.197 -0.601 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.612 -6.326 0.723 1.00 0.00 C ATOM 1304 CG LYS A 87 -16.113 -7.761 0.686 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.967 -8.761 0.736 1.00 0.00 C ATOM 1306 CE LYS A 87 -14.941 -9.643 -0.502 1.00 0.00 C ATOM 1307 NZ LYS A 87 -15.997 -10.692 -0.459 1.00 0.00 N ATOM 0 H LYS A 87 -13.774 -4.983 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.475 -6.133 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.561 -6.324 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.155 -5.779 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.783 -7.934 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.695 -7.920 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.021 -8.227 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.065 -9.384 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.078 -9.026 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.963 -10.116 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.946 -11.272 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.852 -11.297 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.932 -10.241 -0.401 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.569 -4.075 0.081 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.201 -2.780 0.344 1.00 0.00 C ATOM 1323 C PRO A 88 -17.747 -2.152 1.660 1.00 0.00 C ATOM 1324 O PRO A 88 -18.294 -1.139 2.095 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.686 -3.131 0.406 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.714 -4.530 0.916 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.479 -5.201 0.373 1.00 0.00 C ATOM 0 HA PRO A 88 -17.945 -2.041 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.227 -2.455 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.153 -3.056 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.719 -4.547 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.615 -5.047 0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.045 -5.889 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.699 -5.781 -0.523 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.745 -2.756 2.290 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.220 -2.252 3.553 1.00 0.00 C ATOM 1337 C GLU A 89 -14.759 -1.822 3.414 1.00 0.00 C ATOM 1338 O GLU A 89 -14.105 -1.498 4.405 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.347 -3.319 4.642 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.737 -3.403 5.251 1.00 0.00 C ATOM 1341 CD GLU A 89 -18.054 -2.217 6.142 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -18.564 -1.203 5.620 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -17.791 -2.302 7.360 1.00 0.00 O ATOM 0 H GLU A 89 -16.280 -3.596 1.946 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.807 -1.378 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.085 -4.289 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.625 -3.108 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.477 -3.461 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.821 -4.322 5.831 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.252 -1.819 2.183 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.870 -1.426 1.928 1.00 0.00 C ATOM 1352 C ASP A 90 -12.767 0.065 1.605 1.00 0.00 C ATOM 1353 O ASP A 90 -11.668 0.617 1.541 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.289 -2.248 0.777 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.663 -3.545 1.250 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.861 -3.503 2.206 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.973 -4.603 0.663 1.00 0.00 O ATOM 0 H ASP A 90 -14.777 -2.084 1.349 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.296 -1.619 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.078 -2.470 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.539 -1.655 0.254 1.00 0.00 H new ATOM 1362 N THR A 91 -13.912 0.713 1.400 1.00 0.00 N ATOM 1363 CA THR A 91 -13.946 2.131 1.084 1.00 0.00 C ATOM 1364 C THR A 91 -13.183 2.949 2.125 1.00 0.00 C ATOM 1365 O THR A 91 -13.640 3.115 3.256 1.00 0.00 O ATOM 1366 CB THR A 91 -15.399 2.587 1.009 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.086 1.882 -0.009 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.560 4.067 0.738 1.00 0.00 C ATOM 0 H THR A 91 -14.830 0.272 1.448 1.00 0.00 H new ATOM 0 HA THR A 91 -13.459 2.291 0.122 1.00 0.00 H new ATOM 0 HB THR A 91 -15.818 2.377 1.993 1.00 0.00 H new ATOM 0 HG1 THR A 91 -17.018 2.184 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.620 4.316 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.083 4.637 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.093 4.315 -0.215 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.018 3.455 1.732 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.189 4.255 2.627 1.00 0.00 C ATOM 1378 C ALA A 92 -10.037 4.907 1.870 1.00 0.00 C ATOM 1379 O ALA A 92 -9.866 4.682 0.672 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.657 3.394 3.763 1.00 0.00 C ATOM 0 H ALA A 92 -11.627 3.325 0.799 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.809 5.048 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.040 4.003 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.492 2.979 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.057 2.581 3.353 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.246 5.714 2.574 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.115 6.390 1.964 1.00 0.00 C ATOM 1388 C VAL A 93 -6.879 5.493 1.968 1.00 0.00 C ATOM 1389 O VAL A 93 -6.266 5.264 3.008 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.822 7.721 2.689 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.083 7.497 4.002 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -7.047 8.666 1.784 1.00 0.00 C ATOM 0 H VAL A 93 -9.372 5.912 3.567 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.371 6.611 0.928 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.780 8.182 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.895 8.457 4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.690 6.875 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.134 6.998 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.851 9.598 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.101 8.204 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.633 8.874 0.889 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.526 4.970 0.799 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.385 4.090 0.675 1.00 0.00 C ATOM 1404 C TYR A 94 -4.098 4.883 0.478 1.00 0.00 C ATOM 1405 O TYR A 94 -3.813 5.362 -0.618 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.612 3.142 -0.496 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.358 1.883 -0.119 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.746 1.873 -0.051 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.679 0.707 0.172 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.436 0.728 0.296 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.362 -0.444 0.520 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.740 -0.427 0.581 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.426 -1.569 0.927 1.00 0.00 O ATOM 0 H TYR A 94 -7.020 5.145 -0.076 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.279 3.516 1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.169 3.665 -1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.647 2.869 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.295 2.776 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.600 0.691 0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.515 0.738 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.820 -1.351 0.743 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.303 -1.569 0.489 1.00 0.00 H new ATOM 1423 N THR A 95 -3.323 5.016 1.550 1.00 0.00 N ATOM 1424 CA THR A 95 -2.064 5.750 1.495 1.00 0.00 C ATOM 1425 C THR A 95 -0.885 4.808 1.699 1.00 0.00 C ATOM 1426 O THR A 95 -0.916 3.945 2.572 1.00 0.00 O ATOM 1427 CB THR A 95 -2.044 6.851 2.556 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.260 7.579 2.548 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.916 7.842 2.368 1.00 0.00 C ATOM 0 H THR A 95 -3.545 4.626 2.466 1.00 0.00 H new ATOM 0 HA THR A 95 -1.977 6.208 0.509 1.00 0.00 H new ATOM 0 HB THR A 95 -1.899 6.334 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.228 8.277 3.235 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.960 8.596 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.039 7.320 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.014 8.325 1.396 1.00 0.00 H new ATOM 1437 N CYS A 96 0.153 4.972 0.887 1.00 0.00 N ATOM 1438 CA CYS A 96 1.334 4.123 0.988 1.00 0.00 C ATOM 1439 C CYS A 96 2.462 4.827 1.734 1.00 0.00 C ATOM 1440 O CYS A 96 2.614 6.047 1.651 1.00 0.00 O ATOM 1441 CB CYS A 96 1.812 3.704 -0.403 1.00 0.00 C ATOM 1442 SG CYS A 96 2.206 5.098 -1.508 1.00 0.00 S ATOM 0 H CYS A 96 0.201 5.681 0.155 1.00 0.00 H new ATOM 0 HA CYS A 96 1.054 3.234 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.697 3.077 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.041 3.091 -0.870 1.00 0.00 H new ATOM 1447 N GLY A 97 3.251 4.043 2.460 1.00 0.00 N ATOM 1448 CA GLY A 97 4.361 4.590 3.213 1.00 0.00 C ATOM 1449 C GLY A 97 5.583 3.695 3.164 1.00 0.00 C ATOM 1450 O GLY A 97 5.618 2.723 2.409 1.00 0.00 O ATOM 0 H GLY A 97 3.139 3.032 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.617 5.573 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.059 4.733 4.250 1.00 0.00 H new ATOM 1454 N ALA A 98 6.589 4.022 3.968 1.00 0.00 N ATOM 1455 CA ALA A 98 7.817 3.238 4.008 1.00 0.00 C ATOM 1456 C ALA A 98 8.307 3.052 5.437 1.00 0.00 C ATOM 1457 O ALA A 98 7.839 3.721 6.359 1.00 0.00 O ATOM 1458 CB ALA A 98 8.891 3.901 3.161 1.00 0.00 C ATOM 0 H ALA A 98 6.578 4.823 4.599 1.00 0.00 H new ATOM 0 HA ALA A 98 7.602 2.251 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.803 3.306 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.548 3.973 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.093 4.900 3.547 1.00 0.00 H new ATOM 1464 N GLY A 99 9.252 2.135 5.612 1.00 0.00 N ATOM 1465 CA GLY A 99 9.793 1.870 6.930 1.00 0.00 C ATOM 1466 C GLY A 99 11.236 2.310 7.068 1.00 0.00 C ATOM 1467 O GLY A 99 11.849 2.767 6.104 1.00 0.00 O ATOM 0 H GLY A 99 9.653 1.570 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.188 2.384 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.721 0.803 7.140 1.00 0.00 H new ATOM 1471 N GLU A 100 11.778 2.170 8.273 1.00 0.00 N ATOM 1472 CA GLU A 100 13.159 2.554 8.542 1.00 0.00 C ATOM 1473 C GLU A 100 13.653 1.909 9.833 1.00 0.00 C ATOM 1474 O GLU A 100 13.164 2.218 10.920 1.00 0.00 O ATOM 1475 CB GLU A 100 13.279 4.077 8.635 1.00 0.00 C ATOM 1476 CG GLU A 100 13.873 4.717 7.391 1.00 0.00 C ATOM 1477 CD GLU A 100 13.487 6.176 7.246 1.00 0.00 C ATOM 1478 OE1 GLU A 100 13.716 6.949 8.201 1.00 0.00 O ATOM 1479 OE2 GLU A 100 12.956 6.547 6.178 1.00 0.00 O ATOM 0 H GLU A 100 11.281 1.793 9.080 1.00 0.00 H new ATOM 0 HA GLU A 100 13.780 2.202 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.291 4.501 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.897 4.333 9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.959 4.634 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.541 4.168 6.510 1.00 0.00 H new ATOM 1486 N GLY A 101 14.620 1.007 9.705 1.00 0.00 N ATOM 1487 CA GLY A 101 15.161 0.329 10.863 1.00 0.00 C ATOM 1488 C GLY A 101 14.120 -0.494 11.599 1.00 0.00 C ATOM 1489 O GLY A 101 14.322 -0.873 12.752 1.00 0.00 O ATOM 0 H GLY A 101 15.038 0.734 8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.977 -0.322 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.585 1.066 11.545 1.00 0.00 H new ATOM 1493 N GLY A 102 13.002 -0.771 10.932 1.00 0.00 N ATOM 1494 CA GLY A 102 11.945 -1.551 11.548 1.00 0.00 C ATOM 1495 C GLY A 102 10.712 -0.722 11.858 1.00 0.00 C ATOM 1496 O GLY A 102 9.645 -1.268 12.139 1.00 0.00 O ATOM 0 H GLY A 102 12.811 -0.469 9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.670 -2.371 10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.318 -1.998 12.469 1.00 0.00 H new ATOM 1500 N THR A 103 10.858 0.600 11.810 1.00 0.00 N ATOM 1501 CA THR A 103 9.756 1.503 12.090 1.00 0.00 C ATOM 1502 C THR A 103 9.086 1.949 10.793 1.00 0.00 C ATOM 1503 O THR A 103 9.503 1.561 9.702 1.00 0.00 O ATOM 1504 CB THR A 103 10.286 2.714 12.849 1.00 0.00 C ATOM 1505 OG1 THR A 103 11.215 2.315 13.842 1.00 0.00 O ATOM 1506 CG2 THR A 103 9.213 3.533 13.533 1.00 0.00 C ATOM 0 H THR A 103 11.735 1.067 11.578 1.00 0.00 H new ATOM 0 HA THR A 103 9.013 0.986 12.696 1.00 0.00 H new ATOM 0 HB THR A 103 10.753 3.337 12.086 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.545 3.106 14.317 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.672 4.375 14.050 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.509 3.905 12.789 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.684 2.910 14.254 1.00 0.00 H new ATOM 1514 N TRP A 104 8.050 2.770 10.919 1.00 0.00 N ATOM 1515 CA TRP A 104 7.324 3.277 9.761 1.00 0.00 C ATOM 1516 C TRP A 104 6.875 4.714 9.991 1.00 0.00 C ATOM 1517 O TRP A 104 5.903 4.965 10.704 1.00 0.00 O ATOM 1518 CB TRP A 104 6.111 2.395 9.464 1.00 0.00 C ATOM 1519 CG TRP A 104 6.474 0.986 9.114 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.763 -0.025 9.983 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.590 0.433 7.799 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.048 -1.176 9.289 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.949 -0.921 7.945 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.424 0.950 6.511 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.143 -1.762 6.852 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.618 0.115 5.427 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.974 -1.228 5.604 1.00 0.00 C ATOM 0 H TRP A 104 7.693 3.100 11.816 1.00 0.00 H new ATOM 0 HA TRP A 104 7.997 3.255 8.904 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.454 2.388 10.334 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.546 2.832 8.641 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.767 0.066 11.059 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.293 -2.074 9.706 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.149 1.984 6.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.417 -2.798 6.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.493 0.504 4.427 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.118 -1.855 4.737 1.00 0.00 H new ATOM 1538 N ASP A 105 7.590 5.656 9.386 1.00 0.00 N ATOM 1539 CA ASP A 105 7.265 7.070 9.528 1.00 0.00 C ATOM 1540 C ASP A 105 7.241 7.777 8.172 1.00 0.00 C ATOM 1541 O ASP A 105 7.180 9.004 8.104 1.00 0.00 O ATOM 1542 CB ASP A 105 8.266 7.743 10.461 1.00 0.00 C ATOM 1543 CG ASP A 105 7.973 9.217 10.672 1.00 0.00 C ATOM 1544 OD1 ASP A 105 6.815 9.552 10.996 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.903 10.035 10.512 1.00 0.00 O ATOM 0 H ASP A 105 8.398 5.466 8.793 1.00 0.00 H new ATOM 0 HA ASP A 105 6.266 7.147 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.257 7.234 11.425 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.270 7.632 10.051 1.00 0.00 H new ATOM 1550 N SER A 106 7.283 6.998 7.092 1.00 0.00 N ATOM 1551 CA SER A 106 7.258 7.559 5.747 1.00 0.00 C ATOM 1552 C SER A 106 5.896 7.337 5.097 1.00 0.00 C ATOM 1553 O SER A 106 5.311 6.261 5.218 1.00 0.00 O ATOM 1554 CB SER A 106 8.359 6.931 4.888 1.00 0.00 C ATOM 1555 OG SER A 106 9.342 7.890 4.537 1.00 0.00 O ATOM 0 H SER A 106 7.334 5.980 7.124 1.00 0.00 H new ATOM 0 HA SER A 106 7.437 8.632 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.826 6.110 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.922 6.506 3.984 1.00 0.00 H new ATOM 0 HG SER A 106 10.035 7.464 3.990 1.00 0.00 H new ATOM 1561 N TRP A 107 5.395 8.359 4.411 1.00 0.00 N ATOM 1562 CA TRP A 107 4.100 8.269 3.747 1.00 0.00 C ATOM 1563 C TRP A 107 4.130 8.967 2.393 1.00 0.00 C ATOM 1564 O TRP A 107 5.032 9.754 2.106 1.00 0.00 O ATOM 1565 CB TRP A 107 3.010 8.888 4.622 1.00 0.00 C ATOM 1566 CG TRP A 107 3.079 8.457 6.054 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.857 8.999 7.034 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.340 7.395 6.667 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.649 8.339 8.221 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.721 7.350 8.021 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.392 6.479 6.203 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.188 6.424 8.914 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.863 5.561 7.090 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.262 5.540 8.433 1.00 0.00 C ATOM 0 H TRP A 107 5.865 9.257 4.301 1.00 0.00 H new ATOM 0 HA TRP A 107 3.878 7.214 3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.089 9.974 4.573 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.034 8.621 4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.537 9.826 6.897 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.110 8.550 9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.078 6.488 5.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.495 6.405 9.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.130 4.848 6.742 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.829 4.811 9.102 1.00 0.00 H new ATOM 1585 N GLY A 108 3.132 8.676 1.565 1.00 0.00 N ATOM 1586 CA GLY A 108 3.056 9.286 0.250 1.00 0.00 C ATOM 1587 C GLY A 108 1.944 10.311 0.154 1.00 0.00 C ATOM 1588 O GLY A 108 1.823 11.188 1.009 1.00 0.00 O ATOM 0 H GLY A 108 2.374 8.028 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.008 9.763 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.898 8.510 -0.499 1.00 0.00 H new ATOM 1592 N GLN A 109 1.129 10.202 -0.890 1.00 0.00 N ATOM 1593 CA GLN A 109 0.021 11.126 -1.094 1.00 0.00 C ATOM 1594 C GLN A 109 -1.289 10.517 -0.606 1.00 0.00 C ATOM 1595 O GLN A 109 -1.914 11.025 0.325 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.095 11.498 -2.572 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.206 12.493 -2.864 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.678 13.873 -3.206 1.00 0.00 C ATOM 1599 OE1 GLN A 109 0.158 14.425 -2.490 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -1.165 14.438 -4.304 1.00 0.00 N ATOM 0 H GLN A 109 1.216 9.482 -1.608 1.00 0.00 H new ATOM 0 HA GLN A 109 0.220 12.028 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.854 11.917 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.268 10.592 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.811 12.124 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.862 12.564 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.857 13.944 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.847 15.366 -4.584 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.697 9.423 -1.240 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.929 8.758 -0.859 1.00 0.00 C ATOM 1611 C GLY A 110 -3.896 8.613 -2.016 1.00 0.00 C ATOM 1612 O GLY A 110 -3.902 9.430 -2.937 1.00 0.00 O ATOM 0 H GLY A 110 -1.195 8.984 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.696 7.771 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.409 9.321 -0.058 1.00 0.00 H new ATOM 1616 N THR A 111 -4.718 7.570 -1.966 1.00 0.00 N ATOM 1617 CA THR A 111 -5.700 7.317 -3.013 1.00 0.00 C ATOM 1618 C THR A 111 -6.970 6.716 -2.418 1.00 0.00 C ATOM 1619 O THR A 111 -6.975 5.572 -1.967 1.00 0.00 O ATOM 1620 CB THR A 111 -5.117 6.381 -4.077 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.998 6.267 -5.181 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.839 4.983 -3.568 1.00 0.00 C ATOM 0 H THR A 111 -4.723 6.885 -1.210 1.00 0.00 H new ATOM 0 HA THR A 111 -5.953 8.266 -3.486 1.00 0.00 H new ATOM 0 HB THR A 111 -4.170 6.836 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.480 6.104 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.428 4.377 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.122 5.030 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.767 4.534 -3.213 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.044 7.498 -2.410 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.312 7.037 -1.859 1.00 0.00 C ATOM 1632 C GLN A 112 -9.918 5.941 -2.725 1.00 0.00 C ATOM 1633 O GLN A 112 -9.847 5.986 -3.953 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.285 8.217 -1.703 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.763 7.838 -1.676 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.279 7.641 -0.268 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.472 7.006 0.569 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.390 8.054 0.064 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.062 8.450 -2.777 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.124 6.612 -0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.045 8.746 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.120 8.915 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.345 8.617 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.911 6.921 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.978 8.538 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.723 7.912 1.018 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.516 4.959 -2.065 1.00 0.00 N ATOM 1648 CA VAL A 113 -11.144 3.842 -2.747 1.00 0.00 C ATOM 1649 C VAL A 113 -12.634 3.792 -2.418 1.00 0.00 C ATOM 1650 O VAL A 113 -13.023 3.887 -1.254 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.476 2.517 -2.334 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.306 1.317 -2.773 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -9.068 2.433 -2.903 1.00 0.00 C ATOM 0 H VAL A 113 -10.578 4.916 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.020 3.981 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.414 2.497 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.807 0.398 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.291 1.367 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.414 1.327 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.610 1.491 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.112 2.484 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.472 3.264 -2.524 1.00 0.00 H new ATOM 1663 N THR A 114 -13.463 3.653 -3.448 1.00 0.00 N ATOM 1664 CA THR A 114 -14.905 3.602 -3.264 1.00 0.00 C ATOM 1665 C THR A 114 -15.471 2.255 -3.707 1.00 0.00 C ATOM 1666 O THR A 114 -15.072 1.709 -4.737 1.00 0.00 O ATOM 1667 CB THR A 114 -15.569 4.734 -4.049 1.00 0.00 C ATOM 1668 OG1 THR A 114 -15.143 5.995 -3.563 1.00 0.00 O ATOM 1669 CG2 THR A 114 -17.082 4.706 -3.989 1.00 0.00 C ATOM 0 H THR A 114 -13.158 3.574 -4.418 1.00 0.00 H new ATOM 0 HA THR A 114 -15.118 3.724 -2.202 1.00 0.00 H new ATOM 0 HB THR A 114 -15.264 4.582 -5.084 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.785 6.684 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.485 5.537 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.445 3.766 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.407 4.795 -2.952 1.00 0.00 H new ATOM 1677 N VAL A 115 -16.409 1.730 -2.925 1.00 0.00 N ATOM 1678 CA VAL A 115 -17.042 0.459 -3.228 1.00 0.00 C ATOM 1679 C VAL A 115 -18.536 0.531 -2.939 1.00 0.00 C ATOM 1680 O VAL A 115 -19.013 1.478 -2.314 1.00 0.00 O ATOM 1681 CB VAL A 115 -16.427 -0.700 -2.414 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.647 -2.027 -3.123 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.943 -0.464 -2.168 1.00 0.00 C ATOM 0 H VAL A 115 -16.747 2.173 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.874 0.262 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.929 -0.738 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -16.207 -2.832 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.716 -2.205 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -16.176 -1.997 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.533 -1.294 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -14.423 -0.392 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.809 0.464 -1.612 1.00 0.00 H new ATOM 1693 N SER A 116 -19.265 -0.472 -3.397 1.00 0.00 N ATOM 1694 CA SER A 116 -20.708 -0.527 -3.193 1.00 0.00 C ATOM 1695 C SER A 116 -21.199 -1.968 -3.133 1.00 0.00 C ATOM 1696 O SER A 116 -21.856 -2.373 -2.174 1.00 0.00 O ATOM 1697 CB SER A 116 -21.432 0.223 -4.312 1.00 0.00 C ATOM 1698 OG SER A 116 -21.226 1.621 -4.207 1.00 0.00 O ATOM 0 H SER A 116 -18.883 -1.263 -3.915 1.00 0.00 H new ATOM 0 HA SER A 116 -20.930 -0.048 -2.239 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.074 -0.128 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 116 -22.499 0.005 -4.268 1.00 0.00 H new ATOM 0 HG SER A 116 -20.591 1.805 -3.483 1.00 0.00 H new