USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 817 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 84 MET CE :methyl -123:sc= -2.55 (180deg=-4.67!) USER MOD Set 1.2: A 95 TYR OH : rot 6:sc= 0.828 USER MOD Set 2.1: A 85 ASN : amide:sc= -0.478 K(o=-0.48,f=-7!) USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 77 LYS NZ :NH3+ 143:sc= 1.33 (180deg=0) USER MOD Set 3.2: A 81 TYR OH : rot 180:sc= 1.03 USER MOD Set 4.1: A 72 SER OG : rot 180:sc= 0.00228 USER MOD Set 4.2: A 83 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.3!) USER MOD Set 5.1: A 53 ASN : amide:sc= -1.44 K(o=-1.9,f=-7.5!) USER MOD Set 5.2: A 55 SER OG : rot -175:sc= -0.495 USER MOD Set 6.1: A 23 CYS SG : rot -155:sc= 0.305 USER MOD Set 6.2: A 35 MET CE :methyl -128:sc= -1.9 (180deg=-2.75!) USER MOD Set 6.3: A 97 CYS SG : rot 145:sc= -0.811 USER MOD Single : A 4 GLN : amide:sc= -0.44 K(o=-0.44,f=-4.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.91 K(o=-0.91,f=-0.004) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 101:sc= 0.375 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -1.03 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -30:sc= 0.762 USER MOD Single : A 40 GLN : amide:sc= -0.78 K(o=-0.78,f=-0.13) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 27:sc= 0.0577 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 82:sc= -1.34 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0151) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.109 X(o=0.11,f=0.28) USER MOD Single : A 78 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0421) USER MOD Single : A 92 THR OG1 : rot 89:sc= 0.457 USER MOD Single : A 96 ASN : amide:sc= 0.367 K(o=0.37,f=-2.3) USER MOD Single : A 112 TYR OH : rot 100:sc= 0.595 USER MOD Single : A 115 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.6!) USER MOD Single : A 117 THR OG1 : rot -110:sc= -0.767 USER MOD Single : A 118 GLN : amide:sc= 0.256 X(o=0.26,f=-0.0076) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 38:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 2.917 -2.731 -6.882 1.00 0.00 N ATOM 38 CA LEU A 3 3.545 -3.377 -8.040 1.00 0.00 C ATOM 39 C LEU A 3 3.343 -2.501 -9.286 1.00 0.00 C ATOM 40 O LEU A 3 2.216 -2.333 -9.765 1.00 0.00 O ATOM 41 CB LEU A 3 2.952 -4.796 -8.243 1.00 0.00 C ATOM 42 CG LEU A 3 3.367 -5.565 -9.537 1.00 0.00 C ATOM 43 CD1 LEU A 3 4.896 -5.735 -9.661 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.649 -6.928 -9.613 1.00 0.00 C ATOM 0 HA LEU A 3 4.616 -3.486 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.232 -5.405 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.865 -4.712 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 3 3.052 -4.957 -10.385 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.129 -6.276 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.370 -4.754 -9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.270 -6.295 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.951 -7.448 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.917 -7.529 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.570 -6.771 -9.627 1.00 0.00 H new ATOM 56 N GLN A 4 4.452 -1.921 -9.772 1.00 0.00 N ATOM 57 CA GLN A 4 4.489 -1.135 -11.010 1.00 0.00 C ATOM 58 C GLN A 4 4.687 -2.078 -12.207 1.00 0.00 C ATOM 59 O GLN A 4 5.593 -2.909 -12.188 1.00 0.00 O ATOM 60 CB GLN A 4 5.630 -0.071 -10.950 1.00 0.00 C ATOM 61 CG GLN A 4 5.829 0.778 -12.235 1.00 0.00 C ATOM 62 CD GLN A 4 4.650 1.698 -12.607 1.00 0.00 C ATOM 63 OE1 GLN A 4 3.484 1.417 -12.327 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.951 2.808 -13.261 1.00 0.00 N ATOM 0 H GLN A 4 5.358 -1.987 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 4 3.544 -0.605 -11.127 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.428 0.604 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.566 -0.582 -10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.721 1.391 -12.111 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.019 0.104 -13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.923 3.021 -13.483 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.211 3.450 -13.543 1.00 0.00 H new ATOM 73 N LEU A 5 3.812 -1.953 -13.218 1.00 0.00 N ATOM 74 CA LEU A 5 3.851 -2.758 -14.457 1.00 0.00 C ATOM 75 C LEU A 5 3.839 -1.804 -15.668 1.00 0.00 C ATOM 76 O LEU A 5 2.986 -0.911 -15.746 1.00 0.00 O ATOM 77 CB LEU A 5 2.643 -3.744 -14.480 1.00 0.00 C ATOM 78 CG LEU A 5 2.660 -4.833 -13.352 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.316 -5.574 -13.232 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.822 -5.830 -13.563 1.00 0.00 C ATOM 0 H LEU A 5 3.045 -1.281 -13.201 1.00 0.00 H new ATOM 0 HA LEU A 5 4.761 -3.356 -14.500 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.721 -3.169 -14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.619 -4.244 -15.448 1.00 0.00 H new ATOM 0 HG LEU A 5 2.820 -4.310 -12.409 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.380 -6.317 -12.437 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.526 -4.860 -12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.089 -6.070 -14.175 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.811 -6.575 -12.767 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.705 -6.326 -14.526 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.770 -5.293 -13.544 1.00 0.00 H new ATOM 92 N VAL A 6 4.823 -1.959 -16.578 1.00 0.00 N ATOM 93 CA VAL A 6 4.992 -1.083 -17.762 1.00 0.00 C ATOM 94 C VAL A 6 5.200 -1.948 -19.023 1.00 0.00 C ATOM 95 O VAL A 6 6.285 -2.486 -19.241 1.00 0.00 O ATOM 96 CB VAL A 6 6.211 -0.089 -17.581 1.00 0.00 C ATOM 97 CG1 VAL A 6 6.437 0.770 -18.850 1.00 0.00 C ATOM 98 CG2 VAL A 6 6.032 0.815 -16.330 1.00 0.00 C ATOM 0 H VAL A 6 5.525 -2.696 -16.515 1.00 0.00 H new ATOM 0 HA VAL A 6 4.088 -0.484 -17.872 1.00 0.00 H new ATOM 0 HB VAL A 6 7.100 -0.701 -17.427 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.281 1.441 -18.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.647 0.118 -19.698 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.542 1.357 -19.056 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.888 1.484 -16.239 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.121 1.404 -16.434 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.961 0.192 -15.438 1.00 0.00 H new ATOM 108 N GLU A 7 4.151 -2.056 -19.847 1.00 0.00 N ATOM 109 CA GLU A 7 4.148 -2.878 -21.070 1.00 0.00 C ATOM 110 C GLU A 7 4.667 -2.046 -22.249 1.00 0.00 C ATOM 111 O GLU A 7 4.296 -0.881 -22.395 1.00 0.00 O ATOM 112 CB GLU A 7 2.721 -3.422 -21.397 1.00 0.00 C ATOM 113 CG GLU A 7 1.957 -4.064 -20.208 1.00 0.00 C ATOM 114 CD GLU A 7 1.040 -3.093 -19.429 1.00 0.00 C ATOM 115 OE1 GLU A 7 1.435 -1.937 -19.172 1.00 0.00 O ATOM 116 OE2 GLU A 7 -0.092 -3.477 -19.072 1.00 0.00 O ATOM 0 H GLU A 7 3.269 -1.571 -19.684 1.00 0.00 H new ATOM 0 HA GLU A 7 4.801 -3.734 -20.901 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.121 -2.602 -21.790 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.808 -4.163 -22.192 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.353 -4.889 -20.585 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.683 -4.491 -19.516 1.00 0.00 H new ATOM 123 N SER A 8 5.516 -2.651 -23.082 1.00 0.00 N ATOM 124 CA SER A 8 6.124 -1.993 -24.252 1.00 0.00 C ATOM 125 C SER A 8 6.348 -3.013 -25.383 1.00 0.00 C ATOM 126 O SER A 8 6.175 -4.227 -25.187 1.00 0.00 O ATOM 127 CB SER A 8 7.461 -1.311 -23.845 1.00 0.00 C ATOM 128 OG SER A 8 7.261 -0.314 -22.847 1.00 0.00 O ATOM 0 H SER A 8 5.807 -3.622 -22.967 1.00 0.00 H new ATOM 0 HA SER A 8 5.445 -1.224 -24.620 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.155 -2.064 -23.473 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.921 -0.859 -24.724 1.00 0.00 H new ATOM 0 HG SER A 8 8.122 0.093 -22.614 1.00 0.00 H new ATOM 134 N GLY A 9 6.731 -2.503 -26.566 1.00 0.00 N ATOM 135 CA GLY A 9 6.952 -3.340 -27.752 1.00 0.00 C ATOM 136 C GLY A 9 5.679 -3.571 -28.567 1.00 0.00 C ATOM 137 O GLY A 9 5.654 -4.437 -29.445 1.00 0.00 O ATOM 0 H GLY A 9 6.894 -1.509 -26.724 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.703 -2.870 -28.387 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.357 -4.303 -27.440 1.00 0.00 H new ATOM 141 N GLY A 10 4.623 -2.787 -28.273 1.00 0.00 N ATOM 142 CA GLY A 10 3.340 -2.894 -28.977 1.00 0.00 C ATOM 143 C GLY A 10 3.288 -1.998 -30.207 1.00 0.00 C ATOM 144 O GLY A 10 3.874 -0.909 -30.201 1.00 0.00 O ATOM 0 H GLY A 10 4.639 -2.070 -27.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.175 -3.929 -29.275 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.530 -2.625 -28.298 1.00 0.00 H new ATOM 148 N GLY A 11 2.595 -2.457 -31.263 1.00 0.00 N ATOM 149 CA GLY A 11 2.482 -1.699 -32.508 1.00 0.00 C ATOM 150 C GLY A 11 1.562 -2.366 -33.514 1.00 0.00 C ATOM 151 O GLY A 11 0.779 -3.260 -33.157 1.00 0.00 O ATOM 0 H GLY A 11 2.106 -3.352 -31.273 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.110 -0.699 -32.288 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.472 -1.581 -32.949 1.00 0.00 H new ATOM 155 N LEU A 12 1.656 -1.918 -34.779 1.00 0.00 N ATOM 156 CA LEU A 12 0.885 -2.489 -35.893 1.00 0.00 C ATOM 157 C LEU A 12 1.566 -3.775 -36.407 1.00 0.00 C ATOM 158 O LEU A 12 2.801 -3.871 -36.432 1.00 0.00 O ATOM 159 CB LEU A 12 0.664 -1.422 -37.019 1.00 0.00 C ATOM 160 CG LEU A 12 1.935 -0.778 -37.698 1.00 0.00 C ATOM 161 CD1 LEU A 12 2.542 -1.677 -38.796 1.00 0.00 C ATOM 162 CD2 LEU A 12 1.627 0.625 -38.269 1.00 0.00 C ATOM 0 H LEU A 12 2.269 -1.151 -35.055 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.106 -2.773 -35.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.066 -1.886 -37.804 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.066 -0.614 -36.598 1.00 0.00 H new ATOM 0 HG LEU A 12 2.678 -0.677 -36.907 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.413 -1.185 -39.229 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.843 -2.630 -38.361 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.800 -1.852 -39.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.526 1.036 -38.728 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.839 0.548 -39.018 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.298 1.282 -37.463 1.00 0.00 H new ATOM 174 N VAL A 13 0.750 -4.747 -36.811 1.00 0.00 N ATOM 175 CA VAL A 13 1.203 -6.059 -37.299 1.00 0.00 C ATOM 176 C VAL A 13 0.169 -6.590 -38.302 1.00 0.00 C ATOM 177 O VAL A 13 -1.003 -6.220 -38.244 1.00 0.00 O ATOM 178 CB VAL A 13 1.428 -7.068 -36.092 1.00 0.00 C ATOM 179 CG1 VAL A 13 0.144 -7.242 -35.242 1.00 0.00 C ATOM 180 CG2 VAL A 13 1.985 -8.438 -36.567 1.00 0.00 C ATOM 0 H VAL A 13 -0.265 -4.648 -36.810 1.00 0.00 H new ATOM 0 HA VAL A 13 2.165 -5.957 -37.801 1.00 0.00 H new ATOM 0 HB VAL A 13 2.188 -6.622 -35.450 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.339 -7.939 -34.427 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.154 -6.277 -34.831 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.658 -7.632 -35.869 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.122 -9.093 -35.707 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.282 -8.895 -37.263 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.943 -8.288 -37.065 1.00 0.00 H new ATOM 190 N GLN A 14 0.618 -7.411 -39.255 1.00 0.00 N ATOM 191 CA GLN A 14 -0.267 -8.019 -40.262 1.00 0.00 C ATOM 192 C GLN A 14 -0.939 -9.281 -39.689 1.00 0.00 C ATOM 193 O GLN A 14 -0.423 -9.902 -38.742 1.00 0.00 O ATOM 194 CB GLN A 14 0.549 -8.364 -41.533 1.00 0.00 C ATOM 195 CG GLN A 14 1.645 -9.438 -41.340 1.00 0.00 C ATOM 196 CD GLN A 14 2.559 -9.614 -42.558 1.00 0.00 C ATOM 197 OE1 GLN A 14 3.017 -10.716 -42.862 1.00 0.00 O ATOM 198 NE2 GLN A 14 2.881 -8.510 -43.225 1.00 0.00 N ATOM 0 H GLN A 14 1.599 -7.674 -39.353 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.049 -7.308 -40.528 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.140 -8.705 -42.306 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.017 -7.452 -41.903 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.254 -9.172 -40.476 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.170 -10.392 -41.113 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.484 -7.612 -42.947 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.525 -8.561 -44.014 1.00 0.00 H new ATOM 207 N ALA A 15 -2.103 -9.643 -40.252 1.00 0.00 N ATOM 208 CA ALA A 15 -2.778 -10.908 -39.937 1.00 0.00 C ATOM 209 C ALA A 15 -2.006 -12.071 -40.587 1.00 0.00 C ATOM 210 O ALA A 15 -1.684 -12.017 -41.778 1.00 0.00 O ATOM 211 CB ALA A 15 -4.239 -10.863 -40.385 1.00 0.00 C ATOM 0 H ALA A 15 -2.599 -9.069 -40.934 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.784 -11.066 -38.858 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.723 -11.809 -40.143 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.753 -10.051 -39.870 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.285 -10.697 -41.461 1.00 0.00 H new ATOM 217 N GLY A 16 -1.700 -13.102 -39.782 1.00 0.00 N ATOM 218 CA GLY A 16 -0.751 -14.159 -40.138 1.00 0.00 C ATOM 219 C GLY A 16 0.655 -13.843 -39.626 1.00 0.00 C ATOM 220 O GLY A 16 1.602 -14.610 -39.853 1.00 0.00 O ATOM 0 H GLY A 16 -2.112 -13.222 -38.856 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.087 -15.108 -39.720 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.727 -14.279 -41.221 1.00 0.00 H new ATOM 224 N GLY A 17 0.778 -12.695 -38.928 1.00 0.00 N ATOM 225 CA GLY A 17 2.043 -12.231 -38.371 1.00 0.00 C ATOM 226 C GLY A 17 2.222 -12.566 -36.893 1.00 0.00 C ATOM 227 O GLY A 17 1.468 -13.372 -36.325 1.00 0.00 O ATOM 0 H GLY A 17 -0.006 -12.070 -38.740 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.863 -12.673 -38.937 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.113 -11.151 -38.501 1.00 0.00 H new ATOM 231 N SER A 18 3.223 -11.926 -36.272 1.00 0.00 N ATOM 232 CA SER A 18 3.609 -12.154 -34.871 1.00 0.00 C ATOM 233 C SER A 18 4.140 -10.849 -34.244 1.00 0.00 C ATOM 234 O SER A 18 4.536 -9.916 -34.959 1.00 0.00 O ATOM 235 CB SER A 18 4.671 -13.283 -34.801 1.00 0.00 C ATOM 236 OG SER A 18 5.747 -13.043 -35.690 1.00 0.00 O ATOM 0 H SER A 18 3.798 -11.223 -36.737 1.00 0.00 H new ATOM 0 HA SER A 18 2.735 -12.466 -34.300 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.051 -13.363 -33.782 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.204 -14.238 -35.043 1.00 0.00 H new ATOM 0 HG SER A 18 6.398 -13.772 -35.619 1.00 0.00 H new ATOM 242 N LEU A 19 4.147 -10.808 -32.907 1.00 0.00 N ATOM 243 CA LEU A 19 4.577 -9.636 -32.119 1.00 0.00 C ATOM 244 C LEU A 19 5.022 -10.118 -30.729 1.00 0.00 C ATOM 245 O LEU A 19 4.498 -11.100 -30.233 1.00 0.00 O ATOM 246 CB LEU A 19 3.407 -8.602 -32.023 1.00 0.00 C ATOM 247 CG LEU A 19 3.699 -7.274 -31.254 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.947 -6.565 -31.816 1.00 0.00 C ATOM 249 CD2 LEU A 19 2.469 -6.337 -31.273 1.00 0.00 C ATOM 0 H LEU A 19 3.851 -11.595 -32.330 1.00 0.00 H new ATOM 0 HA LEU A 19 5.416 -9.136 -32.603 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.096 -8.346 -33.036 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.559 -9.092 -31.544 1.00 0.00 H new ATOM 0 HG LEU A 19 3.905 -7.532 -30.215 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.124 -5.644 -31.260 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.813 -7.220 -31.718 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.788 -6.329 -32.868 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.701 -5.421 -30.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.213 -6.093 -32.304 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.624 -6.836 -30.798 1.00 0.00 H new ATOM 261 N ARG A 20 6.005 -9.450 -30.110 1.00 0.00 N ATOM 262 CA ARG A 20 6.488 -9.823 -28.762 1.00 0.00 C ATOM 263 C ARG A 20 6.482 -8.594 -27.844 1.00 0.00 C ATOM 264 O ARG A 20 7.149 -7.594 -28.118 1.00 0.00 O ATOM 265 CB ARG A 20 7.899 -10.460 -28.835 1.00 0.00 C ATOM 266 CG ARG A 20 8.424 -11.014 -27.483 1.00 0.00 C ATOM 267 CD ARG A 20 9.833 -11.617 -27.601 1.00 0.00 C ATOM 268 NE ARG A 20 10.316 -12.197 -26.334 1.00 0.00 N ATOM 269 CZ ARG A 20 11.575 -12.609 -26.104 1.00 0.00 C ATOM 270 NH1 ARG A 20 12.513 -12.500 -27.048 1.00 0.00 N ATOM 271 NH2 ARG A 20 11.886 -13.139 -24.930 1.00 0.00 N ATOM 0 H ARG A 20 6.485 -8.647 -30.517 1.00 0.00 H new ATOM 0 HA ARG A 20 5.813 -10.570 -28.344 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.881 -11.271 -29.563 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.602 -9.714 -29.206 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.436 -10.211 -26.746 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.736 -11.775 -27.114 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.829 -12.389 -28.370 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.528 -10.844 -27.929 1.00 0.00 H new ATOM 0 HE ARG A 20 9.643 -12.293 -25.574 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.278 -12.100 -27.957 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.464 -12.816 -26.861 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.172 -13.232 -24.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.839 -13.454 -24.749 1.00 0.00 H new ATOM 285 N LEU A 21 5.690 -8.678 -26.769 1.00 0.00 N ATOM 286 CA LEU A 21 5.582 -7.629 -25.748 1.00 0.00 C ATOM 287 C LEU A 21 6.606 -7.876 -24.639 1.00 0.00 C ATOM 288 O LEU A 21 7.070 -9.004 -24.451 1.00 0.00 O ATOM 289 CB LEU A 21 4.147 -7.564 -25.151 1.00 0.00 C ATOM 290 CG LEU A 21 2.988 -7.236 -26.146 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.313 -6.011 -27.021 1.00 0.00 C ATOM 292 CD2 LEU A 21 2.599 -8.450 -27.001 1.00 0.00 C ATOM 0 H LEU A 21 5.098 -9.487 -26.581 1.00 0.00 H new ATOM 0 HA LEU A 21 5.788 -6.670 -26.223 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.930 -8.523 -24.680 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.141 -6.813 -24.361 1.00 0.00 H new ATOM 0 HG LEU A 21 2.119 -6.981 -25.539 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.482 -5.817 -27.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.473 -5.141 -26.384 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.215 -6.207 -27.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.790 -8.174 -27.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.461 -8.778 -27.581 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.269 -9.261 -26.352 1.00 0.00 H new ATOM 304 N SER A 22 6.945 -6.807 -23.921 1.00 0.00 N ATOM 305 CA SER A 22 7.889 -6.843 -22.810 1.00 0.00 C ATOM 306 C SER A 22 7.380 -5.890 -21.718 1.00 0.00 C ATOM 307 O SER A 22 7.178 -4.705 -21.988 1.00 0.00 O ATOM 308 CB SER A 22 9.290 -6.424 -23.328 1.00 0.00 C ATOM 309 OG SER A 22 10.271 -6.495 -22.315 1.00 0.00 O ATOM 0 H SER A 22 6.564 -5.878 -24.099 1.00 0.00 H new ATOM 0 HA SER A 22 7.972 -7.845 -22.389 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.578 -7.070 -24.158 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.243 -5.407 -23.717 1.00 0.00 H new ATOM 0 HG SER A 22 10.790 -7.320 -22.419 1.00 0.00 H new ATOM 315 N CYS A 23 7.187 -6.402 -20.490 1.00 0.00 N ATOM 316 CA CYS A 23 6.594 -5.628 -19.380 1.00 0.00 C ATOM 317 C CYS A 23 7.543 -5.586 -18.177 1.00 0.00 C ATOM 318 O CYS A 23 7.858 -6.628 -17.605 1.00 0.00 O ATOM 319 CB CYS A 23 5.236 -6.229 -18.951 1.00 0.00 C ATOM 320 SG CYS A 23 4.428 -5.316 -17.611 1.00 0.00 S ATOM 0 H CYS A 23 7.435 -7.359 -20.237 1.00 0.00 H new ATOM 0 HA CYS A 23 6.431 -4.611 -19.737 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.571 -6.255 -19.814 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.389 -7.261 -18.635 1.00 0.00 H new ATOM 0 HG CYS A 23 3.632 -6.112 -16.962 1.00 0.00 H new ATOM 326 N ALA A 24 7.972 -4.375 -17.790 1.00 0.00 N ATOM 327 CA ALA A 24 8.874 -4.164 -16.646 1.00 0.00 C ATOM 328 C ALA A 24 8.063 -4.101 -15.337 1.00 0.00 C ATOM 329 O ALA A 24 7.130 -3.298 -15.218 1.00 0.00 O ATOM 330 CB ALA A 24 9.691 -2.873 -16.852 1.00 0.00 C ATOM 0 H ALA A 24 7.703 -3.512 -18.262 1.00 0.00 H new ATOM 0 HA ALA A 24 9.568 -5.002 -16.576 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.356 -2.724 -16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.282 -2.958 -17.764 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.014 -2.023 -16.936 1.00 0.00 H new ATOM 336 N ALA A 25 8.417 -4.974 -14.379 1.00 0.00 N ATOM 337 CA ALA A 25 7.772 -5.056 -13.057 1.00 0.00 C ATOM 338 C ALA A 25 8.723 -4.528 -11.971 1.00 0.00 C ATOM 339 O ALA A 25 9.938 -4.751 -12.045 1.00 0.00 O ATOM 340 CB ALA A 25 7.350 -6.503 -12.759 1.00 0.00 C ATOM 0 H ALA A 25 9.169 -5.652 -14.502 1.00 0.00 H new ATOM 0 HA ALA A 25 6.877 -4.435 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.875 -6.549 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.646 -6.841 -13.520 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.229 -7.147 -12.766 1.00 0.00 H new ATOM 346 N SER A 26 8.160 -3.840 -10.961 1.00 0.00 N ATOM 347 CA SER A 26 8.940 -3.210 -9.876 1.00 0.00 C ATOM 348 C SER A 26 8.037 -2.943 -8.646 1.00 0.00 C ATOM 349 O SER A 26 6.828 -3.199 -8.686 1.00 0.00 O ATOM 350 CB SER A 26 9.584 -1.894 -10.402 1.00 0.00 C ATOM 351 OG SER A 26 10.484 -1.327 -9.463 1.00 0.00 O ATOM 0 H SER A 26 7.153 -3.704 -10.873 1.00 0.00 H new ATOM 0 HA SER A 26 9.735 -3.884 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.113 -2.097 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.799 -1.173 -10.632 1.00 0.00 H new ATOM 0 HG SER A 26 10.867 -0.504 -9.833 1.00 0.00 H new ATOM 357 N GLY A 27 8.645 -2.435 -7.551 1.00 0.00 N ATOM 358 CA GLY A 27 7.923 -2.132 -6.307 1.00 0.00 C ATOM 359 C GLY A 27 7.683 -3.383 -5.473 1.00 0.00 C ATOM 360 O GLY A 27 8.572 -3.811 -4.724 1.00 0.00 O ATOM 0 H GLY A 27 9.643 -2.227 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.493 -1.410 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.967 -1.666 -6.546 1.00 0.00 H new ATOM 364 N ARG A 28 6.483 -3.979 -5.610 1.00 0.00 N ATOM 365 CA ARG A 28 6.180 -5.301 -5.023 1.00 0.00 C ATOM 366 C ARG A 28 6.766 -6.393 -5.922 1.00 0.00 C ATOM 367 O ARG A 28 6.786 -6.252 -7.150 1.00 0.00 O ATOM 368 CB ARG A 28 4.650 -5.506 -4.834 1.00 0.00 C ATOM 369 CG ARG A 28 4.026 -4.524 -3.833 1.00 0.00 C ATOM 370 CD ARG A 28 2.504 -4.660 -3.690 1.00 0.00 C ATOM 371 NE ARG A 28 2.087 -5.918 -3.051 1.00 0.00 N ATOM 372 CZ ARG A 28 0.845 -6.175 -2.603 1.00 0.00 C ATOM 373 NH1 ARG A 28 -0.123 -5.274 -2.718 1.00 0.00 N ATOM 374 NH2 ARG A 28 0.578 -7.337 -2.040 1.00 0.00 N ATOM 0 H ARG A 28 5.705 -3.565 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 28 6.634 -5.358 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.154 -5.396 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.466 -6.526 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.487 -4.674 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.262 -3.506 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.125 -3.821 -3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.046 -4.593 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 28 2.791 -6.648 -2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.070 -4.371 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.059 -5.485 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.312 -8.038 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.363 -7.534 -1.699 1.00 0.00 H new ATOM 388 N THR A 29 7.263 -7.461 -5.302 1.00 0.00 N ATOM 389 CA THR A 29 7.875 -8.579 -6.014 1.00 0.00 C ATOM 390 C THR A 29 6.773 -9.412 -6.711 1.00 0.00 C ATOM 391 O THR A 29 6.045 -10.153 -6.053 1.00 0.00 O ATOM 392 CB THR A 29 8.709 -9.447 -5.011 1.00 0.00 C ATOM 393 OG1 THR A 29 9.564 -8.588 -4.229 1.00 0.00 O ATOM 394 CG2 THR A 29 9.577 -10.495 -5.725 1.00 0.00 C ATOM 0 H THR A 29 7.252 -7.575 -4.288 1.00 0.00 H new ATOM 0 HA THR A 29 8.554 -8.209 -6.782 1.00 0.00 H new ATOM 0 HB THR A 29 8.001 -9.977 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.085 -9.130 -3.600 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.135 -11.070 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.938 -11.166 -6.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.274 -9.994 -6.396 1.00 0.00 H new ATOM 402 N PHE A 30 6.644 -9.237 -8.048 1.00 0.00 N ATOM 403 CA PHE A 30 5.599 -9.899 -8.878 1.00 0.00 C ATOM 404 C PHE A 30 5.675 -11.439 -8.779 1.00 0.00 C ATOM 405 O PHE A 30 4.676 -12.134 -8.970 1.00 0.00 O ATOM 406 CB PHE A 30 5.717 -9.457 -10.369 1.00 0.00 C ATOM 407 CG PHE A 30 6.908 -10.060 -11.124 1.00 0.00 C ATOM 408 CD1 PHE A 30 6.718 -10.992 -12.154 1.00 0.00 C ATOM 409 CD2 PHE A 30 8.216 -9.723 -10.784 1.00 0.00 C ATOM 410 CE1 PHE A 30 7.797 -11.556 -12.814 1.00 0.00 C ATOM 411 CE2 PHE A 30 9.286 -10.285 -11.445 1.00 0.00 C ATOM 412 CZ PHE A 30 9.080 -11.199 -12.458 1.00 0.00 C ATOM 0 H PHE A 30 7.263 -8.631 -8.587 1.00 0.00 H new ATOM 0 HA PHE A 30 4.632 -9.584 -8.486 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.799 -9.731 -10.889 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.793 -8.370 -10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.715 -11.274 -12.437 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.394 -9.011 -9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.634 -12.273 -13.605 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.293 -10.008 -11.169 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.924 -11.635 -12.972 1.00 0.00 H new ATOM 422 N SER A 31 6.883 -11.950 -8.470 1.00 0.00 N ATOM 423 CA SER A 31 7.155 -13.388 -8.352 1.00 0.00 C ATOM 424 C SER A 31 6.611 -13.988 -7.031 1.00 0.00 C ATOM 425 O SER A 31 6.778 -15.180 -6.766 1.00 0.00 O ATOM 426 CB SER A 31 8.665 -13.653 -8.530 1.00 0.00 C ATOM 427 OG SER A 31 9.436 -12.874 -7.643 1.00 0.00 O ATOM 0 H SER A 31 7.702 -11.367 -8.295 1.00 0.00 H new ATOM 0 HA SER A 31 6.618 -13.899 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.872 -14.710 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.956 -13.431 -9.557 1.00 0.00 H new ATOM 0 HG SER A 31 10.387 -13.067 -7.780 1.00 0.00 H new ATOM 433 N SER A 32 5.976 -13.152 -6.198 1.00 0.00 N ATOM 434 CA SER A 32 5.206 -13.610 -5.031 1.00 0.00 C ATOM 435 C SER A 32 3.743 -13.915 -5.443 1.00 0.00 C ATOM 436 O SER A 32 3.008 -14.549 -4.690 1.00 0.00 O ATOM 437 CB SER A 32 5.250 -12.532 -3.916 1.00 0.00 C ATOM 438 OG SER A 32 4.574 -12.950 -2.733 1.00 0.00 O ATOM 0 H SER A 32 5.981 -12.139 -6.313 1.00 0.00 H new ATOM 0 HA SER A 32 5.650 -14.527 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.288 -12.302 -3.677 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.797 -11.612 -4.285 1.00 0.00 H new ATOM 0 HG SER A 32 4.628 -12.242 -2.058 1.00 0.00 H new ATOM 444 N TYR A 33 3.333 -13.465 -6.650 1.00 0.00 N ATOM 445 CA TYR A 33 1.921 -13.518 -7.105 1.00 0.00 C ATOM 446 C TYR A 33 1.812 -14.270 -8.449 1.00 0.00 C ATOM 447 O TYR A 33 2.828 -14.599 -9.076 1.00 0.00 O ATOM 448 CB TYR A 33 1.358 -12.064 -7.254 1.00 0.00 C ATOM 449 CG TYR A 33 1.757 -11.117 -6.106 1.00 0.00 C ATOM 450 CD1 TYR A 33 2.685 -10.087 -6.307 1.00 0.00 C ATOM 451 CD2 TYR A 33 1.252 -11.286 -4.813 1.00 0.00 C ATOM 452 CE1 TYR A 33 3.092 -9.272 -5.266 1.00 0.00 C ATOM 453 CE2 TYR A 33 1.649 -10.462 -3.773 1.00 0.00 C ATOM 454 CZ TYR A 33 2.571 -9.463 -4.003 1.00 0.00 C ATOM 455 OH TYR A 33 2.997 -8.673 -2.953 1.00 0.00 O ATOM 0 H TYR A 33 3.967 -13.056 -7.336 1.00 0.00 H new ATOM 0 HA TYR A 33 1.333 -14.056 -6.361 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.709 -11.644 -8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.271 -12.111 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.091 -9.926 -7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.539 -12.074 -4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.815 -8.489 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.237 -10.602 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 33 3.925 -8.398 -3.106 1.00 0.00 H new ATOM 465 N ALA A 34 0.565 -14.558 -8.864 1.00 0.00 N ATOM 466 CA ALA A 34 0.256 -15.077 -10.210 1.00 0.00 C ATOM 467 C ALA A 34 -0.008 -13.886 -11.141 1.00 0.00 C ATOM 468 O ALA A 34 -0.754 -12.968 -10.776 1.00 0.00 O ATOM 469 CB ALA A 34 -0.955 -16.027 -10.159 1.00 0.00 C ATOM 0 H ALA A 34 -0.259 -14.437 -8.275 1.00 0.00 H new ATOM 0 HA ALA A 34 1.099 -15.652 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.168 -16.400 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.732 -16.866 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.824 -15.489 -9.780 1.00 0.00 H new ATOM 475 N MET A 35 0.594 -13.906 -12.341 1.00 0.00 N ATOM 476 CA MET A 35 0.603 -12.760 -13.264 1.00 0.00 C ATOM 477 C MET A 35 0.142 -13.224 -14.658 1.00 0.00 C ATOM 478 O MET A 35 0.635 -14.230 -15.154 1.00 0.00 O ATOM 479 CB MET A 35 2.042 -12.139 -13.272 1.00 0.00 C ATOM 480 CG MET A 35 2.303 -11.084 -14.355 1.00 0.00 C ATOM 481 SD MET A 35 2.617 -11.843 -15.969 1.00 0.00 S ATOM 482 CE MET A 35 1.708 -10.772 -17.066 1.00 0.00 C ATOM 0 H MET A 35 1.090 -14.722 -12.700 1.00 0.00 H new ATOM 0 HA MET A 35 -0.092 -11.984 -12.943 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.229 -11.687 -12.298 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.765 -12.945 -13.394 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.444 -10.417 -14.428 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.158 -10.472 -14.068 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.046 -11.370 -17.693 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.116 -10.069 -16.480 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.405 -10.221 -17.697 1.00 0.00 H new ATOM 492 N GLY A 36 -0.810 -12.489 -15.280 1.00 0.00 N ATOM 493 CA GLY A 36 -1.370 -12.881 -16.581 1.00 0.00 C ATOM 494 C GLY A 36 -1.873 -11.718 -17.419 1.00 0.00 C ATOM 495 O GLY A 36 -2.159 -10.643 -16.899 1.00 0.00 O ATOM 0 H GLY A 36 -1.200 -11.627 -14.899 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.607 -13.418 -17.145 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.192 -13.577 -16.415 1.00 0.00 H new ATOM 499 N TRP A 37 -1.997 -11.960 -18.738 1.00 0.00 N ATOM 500 CA TRP A 37 -2.432 -10.962 -19.726 1.00 0.00 C ATOM 501 C TRP A 37 -3.932 -11.121 -20.023 1.00 0.00 C ATOM 502 O TRP A 37 -4.419 -12.246 -20.252 1.00 0.00 O ATOM 503 CB TRP A 37 -1.610 -11.110 -21.035 1.00 0.00 C ATOM 504 CG TRP A 37 -0.127 -10.861 -20.858 1.00 0.00 C ATOM 505 CD1 TRP A 37 0.808 -11.744 -20.391 1.00 0.00 C ATOM 506 CD2 TRP A 37 0.586 -9.645 -21.154 1.00 0.00 C ATOM 507 NE1 TRP A 37 2.047 -11.156 -20.379 1.00 0.00 N ATOM 508 CE2 TRP A 37 1.936 -9.867 -20.835 1.00 0.00 C ATOM 509 CE3 TRP A 37 0.209 -8.389 -21.656 1.00 0.00 C ATOM 510 CZ2 TRP A 37 2.916 -8.887 -21.003 1.00 0.00 C ATOM 511 CZ3 TRP A 37 1.179 -7.418 -21.823 1.00 0.00 C ATOM 512 CH2 TRP A 37 2.520 -7.671 -21.495 1.00 0.00 C ATOM 0 H TRP A 37 -1.794 -12.870 -19.151 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.262 -9.968 -19.313 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.755 -12.115 -21.432 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.999 -10.414 -21.778 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.601 -12.756 -20.078 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.912 -11.605 -20.079 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.821 -8.185 -21.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.949 -9.080 -20.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.900 -6.450 -22.212 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.255 -6.891 -21.633 1.00 0.00 H new ATOM 523 N PHE A 38 -4.645 -9.978 -20.003 1.00 0.00 N ATOM 524 CA PHE A 38 -6.087 -9.879 -20.302 1.00 0.00 C ATOM 525 C PHE A 38 -6.292 -8.761 -21.340 1.00 0.00 C ATOM 526 O PHE A 38 -5.784 -7.650 -21.151 1.00 0.00 O ATOM 527 CB PHE A 38 -6.897 -9.565 -19.010 1.00 0.00 C ATOM 528 CG PHE A 38 -6.742 -10.605 -17.897 1.00 0.00 C ATOM 529 CD1 PHE A 38 -5.734 -10.489 -16.939 1.00 0.00 C ATOM 530 CD2 PHE A 38 -7.603 -11.697 -17.812 1.00 0.00 C ATOM 531 CE1 PHE A 38 -5.585 -11.437 -15.941 1.00 0.00 C ATOM 532 CE2 PHE A 38 -7.458 -12.644 -16.814 1.00 0.00 C ATOM 533 CZ PHE A 38 -6.450 -12.513 -15.876 1.00 0.00 C ATOM 0 H PHE A 38 -4.225 -9.077 -19.773 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.444 -10.830 -20.697 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.585 -8.593 -18.628 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.953 -9.482 -19.269 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.059 -9.646 -16.977 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.396 -11.806 -18.537 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.793 -11.336 -15.214 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.132 -13.486 -16.767 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.339 -13.250 -15.094 1.00 0.00 H new ATOM 543 N ARG A 39 -7.033 -9.050 -22.429 1.00 0.00 N ATOM 544 CA ARG A 39 -7.210 -8.092 -23.552 1.00 0.00 C ATOM 545 C ARG A 39 -8.666 -7.631 -23.677 1.00 0.00 C ATOM 546 O ARG A 39 -9.584 -8.341 -23.247 1.00 0.00 O ATOM 547 CB ARG A 39 -6.765 -8.725 -24.893 1.00 0.00 C ATOM 548 CG ARG A 39 -7.673 -9.870 -25.405 1.00 0.00 C ATOM 549 CD ARG A 39 -7.173 -10.475 -26.718 1.00 0.00 C ATOM 550 NE ARG A 39 -7.951 -11.648 -27.144 1.00 0.00 N ATOM 551 CZ ARG A 39 -7.555 -12.522 -28.081 1.00 0.00 C ATOM 552 NH1 ARG A 39 -6.371 -12.396 -28.665 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.342 -13.533 -28.411 1.00 0.00 N ATOM 0 H ARG A 39 -7.520 -9.937 -22.559 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.585 -7.227 -23.331 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.727 -7.944 -25.652 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.751 -9.108 -24.779 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.728 -10.651 -24.647 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.685 -9.491 -25.546 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.213 -9.716 -27.500 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.127 -10.761 -26.605 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.853 -11.808 -26.696 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.752 -11.629 -28.403 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.079 -13.066 -29.376 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.247 -13.646 -27.953 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.044 -14.200 -29.123 1.00 0.00 H new ATOM 567 N GLN A 40 -8.858 -6.451 -24.295 1.00 0.00 N ATOM 568 CA GLN A 40 -10.195 -5.923 -24.635 1.00 0.00 C ATOM 569 C GLN A 40 -10.075 -4.739 -25.596 1.00 0.00 C ATOM 570 O GLN A 40 -9.078 -4.027 -25.545 1.00 0.00 O ATOM 571 CB GLN A 40 -10.968 -5.512 -23.345 1.00 0.00 C ATOM 572 CG GLN A 40 -10.396 -4.319 -22.519 1.00 0.00 C ATOM 573 CD GLN A 40 -10.926 -2.930 -22.919 1.00 0.00 C ATOM 574 OE1 GLN A 40 -10.216 -1.936 -22.841 1.00 0.00 O ATOM 575 NE2 GLN A 40 -12.188 -2.856 -23.323 1.00 0.00 N ATOM 0 H GLN A 40 -8.093 -5.837 -24.573 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.760 -6.711 -25.132 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.991 -5.266 -23.629 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.019 -6.382 -22.690 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.621 -4.486 -21.466 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.310 -4.318 -22.617 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.756 -3.701 -23.378 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.590 -1.954 -23.578 1.00 0.00 H new ATOM 584 N ALA A 41 -11.090 -4.556 -26.471 1.00 0.00 N ATOM 585 CA ALA A 41 -11.247 -3.343 -27.312 1.00 0.00 C ATOM 586 C ALA A 41 -12.517 -3.435 -28.206 1.00 0.00 C ATOM 587 O ALA A 41 -13.395 -2.572 -28.078 1.00 0.00 O ATOM 588 CB ALA A 41 -9.999 -2.998 -28.167 1.00 0.00 C ATOM 0 H ALA A 41 -11.827 -5.247 -26.616 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.365 -2.519 -26.608 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.196 -2.099 -28.752 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.145 -2.825 -27.512 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.778 -3.827 -28.839 1.00 0.00 H new ATOM 594 N PRO A 42 -12.663 -4.469 -29.131 1.00 0.00 N ATOM 595 CA PRO A 42 -13.786 -4.509 -30.100 1.00 0.00 C ATOM 596 C PRO A 42 -15.078 -5.108 -29.486 1.00 0.00 C ATOM 597 O PRO A 42 -15.463 -6.256 -29.775 1.00 0.00 O ATOM 598 CB PRO A 42 -13.201 -5.365 -31.255 1.00 0.00 C ATOM 599 CG PRO A 42 -12.283 -6.346 -30.584 1.00 0.00 C ATOM 600 CD PRO A 42 -11.771 -5.666 -29.318 1.00 0.00 C ATOM 0 HA PRO A 42 -14.112 -3.523 -30.430 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.990 -5.876 -31.806 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.661 -4.746 -31.971 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.811 -7.268 -30.342 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.456 -6.615 -31.241 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.825 -6.336 -28.460 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.728 -5.368 -29.424 1.00 0.00 H new ATOM 608 N GLY A 43 -15.737 -4.309 -28.618 1.00 0.00 N ATOM 609 CA GLY A 43 -16.950 -4.746 -27.919 1.00 0.00 C ATOM 610 C GLY A 43 -16.680 -5.792 -26.848 1.00 0.00 C ATOM 611 O GLY A 43 -17.553 -6.605 -26.523 1.00 0.00 O ATOM 0 H GLY A 43 -15.443 -3.359 -28.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.429 -3.881 -27.460 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.654 -5.152 -28.645 1.00 0.00 H new ATOM 615 N LYS A 44 -15.449 -5.780 -26.311 1.00 0.00 N ATOM 616 CA LYS A 44 -14.967 -6.794 -25.359 1.00 0.00 C ATOM 617 C LYS A 44 -14.671 -6.174 -23.983 1.00 0.00 C ATOM 618 O LYS A 44 -14.236 -5.019 -23.893 1.00 0.00 O ATOM 619 CB LYS A 44 -13.672 -7.456 -25.912 1.00 0.00 C ATOM 620 CG LYS A 44 -13.784 -8.159 -27.301 1.00 0.00 C ATOM 621 CD LYS A 44 -14.428 -9.577 -27.276 1.00 0.00 C ATOM 622 CE LYS A 44 -15.954 -9.598 -27.053 1.00 0.00 C ATOM 623 NZ LYS A 44 -16.501 -10.976 -27.054 1.00 0.00 N ATOM 0 H LYS A 44 -14.757 -5.063 -26.526 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.750 -7.543 -25.238 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.900 -6.690 -25.980 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.328 -8.192 -25.185 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.369 -7.523 -27.966 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.786 -8.238 -27.732 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.207 -10.076 -28.220 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.953 -10.161 -26.488 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.187 -9.117 -26.103 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.442 -9.015 -27.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.529 -10.942 -26.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.302 -11.428 -27.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.056 -11.527 -26.292 1.00 0.00 H new ATOM 637 N GLU A 45 -14.928 -6.956 -22.923 1.00 0.00 N ATOM 638 CA GLU A 45 -14.366 -6.722 -21.577 1.00 0.00 C ATOM 639 C GLU A 45 -13.027 -7.482 -21.482 1.00 0.00 C ATOM 640 O GLU A 45 -12.702 -8.271 -22.390 1.00 0.00 O ATOM 641 CB GLU A 45 -15.351 -7.216 -20.484 1.00 0.00 C ATOM 642 CG GLU A 45 -15.669 -8.725 -20.538 1.00 0.00 C ATOM 643 CD GLU A 45 -16.579 -9.193 -19.391 1.00 0.00 C ATOM 644 OE1 GLU A 45 -16.054 -9.639 -18.346 1.00 0.00 O ATOM 645 OE2 GLU A 45 -17.814 -9.094 -19.522 1.00 0.00 O ATOM 0 H GLU A 45 -15.535 -7.774 -22.973 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.204 -5.656 -21.417 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.934 -6.981 -19.505 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.283 -6.658 -20.575 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.148 -8.955 -21.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.736 -9.288 -20.506 1.00 0.00 H new ATOM 652 N ARG A 46 -12.235 -7.242 -20.413 1.00 0.00 N ATOM 653 CA ARG A 46 -10.933 -7.931 -20.241 1.00 0.00 C ATOM 654 C ARG A 46 -11.153 -9.443 -20.067 1.00 0.00 C ATOM 655 O ARG A 46 -11.574 -9.916 -19.002 1.00 0.00 O ATOM 656 CB ARG A 46 -10.108 -7.332 -19.059 1.00 0.00 C ATOM 657 CG ARG A 46 -9.390 -6.009 -19.409 1.00 0.00 C ATOM 658 CD ARG A 46 -8.494 -5.476 -18.275 1.00 0.00 C ATOM 659 NE ARG A 46 -7.809 -4.231 -18.675 1.00 0.00 N ATOM 660 CZ ARG A 46 -7.786 -3.093 -17.965 1.00 0.00 C ATOM 661 NH1 ARG A 46 -8.396 -3.001 -16.793 1.00 0.00 N ATOM 662 NH2 ARG A 46 -7.147 -2.046 -18.441 1.00 0.00 N ATOM 0 H ARG A 46 -12.468 -6.587 -19.666 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.344 -7.770 -21.144 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.774 -7.161 -18.213 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.366 -8.063 -18.738 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.782 -6.160 -20.301 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.137 -5.254 -19.656 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.098 -5.292 -17.387 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.755 -6.231 -18.007 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.312 -4.236 -19.566 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.896 -3.805 -16.414 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.366 -2.126 -16.270 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.674 -2.104 -19.343 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.124 -1.177 -17.908 1.00 0.00 H new ATOM 676 N GLU A 47 -10.869 -10.172 -21.148 1.00 0.00 N ATOM 677 CA GLU A 47 -11.060 -11.616 -21.229 1.00 0.00 C ATOM 678 C GLU A 47 -9.746 -12.326 -20.899 1.00 0.00 C ATOM 679 O GLU A 47 -8.651 -11.781 -21.128 1.00 0.00 O ATOM 680 CB GLU A 47 -11.553 -12.015 -22.650 1.00 0.00 C ATOM 681 CG GLU A 47 -10.623 -11.578 -23.803 1.00 0.00 C ATOM 682 CD GLU A 47 -11.091 -12.055 -25.187 1.00 0.00 C ATOM 683 OE1 GLU A 47 -12.139 -11.576 -25.671 1.00 0.00 O ATOM 684 OE2 GLU A 47 -10.422 -12.919 -25.797 1.00 0.00 O ATOM 0 H GLU A 47 -10.493 -9.766 -22.005 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.818 -11.919 -20.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.671 -13.098 -22.688 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.539 -11.581 -22.813 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.551 -10.490 -23.808 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.621 -11.963 -23.615 1.00 0.00 H new ATOM 691 N PHE A 48 -9.879 -13.531 -20.342 1.00 0.00 N ATOM 692 CA PHE A 48 -8.752 -14.410 -20.037 1.00 0.00 C ATOM 693 C PHE A 48 -8.061 -14.846 -21.337 1.00 0.00 C ATOM 694 O PHE A 48 -8.630 -15.607 -22.129 1.00 0.00 O ATOM 695 CB PHE A 48 -9.248 -15.636 -19.220 1.00 0.00 C ATOM 696 CG PHE A 48 -8.198 -16.731 -19.013 1.00 0.00 C ATOM 697 CD1 PHE A 48 -7.114 -16.535 -18.158 1.00 0.00 C ATOM 698 CD2 PHE A 48 -8.288 -17.953 -19.689 1.00 0.00 C ATOM 699 CE1 PHE A 48 -6.160 -17.523 -17.989 1.00 0.00 C ATOM 700 CE2 PHE A 48 -7.334 -18.932 -19.512 1.00 0.00 C ATOM 701 CZ PHE A 48 -6.272 -18.717 -18.664 1.00 0.00 C ATOM 0 H PHE A 48 -10.784 -13.927 -20.088 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.022 -13.872 -19.432 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.591 -15.291 -18.245 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.110 -16.069 -19.727 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.018 -15.602 -17.622 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.116 -18.131 -20.359 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.325 -17.356 -17.325 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.420 -19.870 -20.040 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.526 -19.486 -18.528 1.00 0.00 H new ATOM 711 N VAL A 49 -6.850 -14.310 -21.569 1.00 0.00 N ATOM 712 CA VAL A 49 -5.976 -14.780 -22.647 1.00 0.00 C ATOM 713 C VAL A 49 -5.103 -15.890 -22.067 1.00 0.00 C ATOM 714 O VAL A 49 -5.314 -17.073 -22.357 1.00 0.00 O ATOM 715 CB VAL A 49 -5.078 -13.625 -23.245 1.00 0.00 C ATOM 716 CG1 VAL A 49 -4.264 -14.095 -24.490 1.00 0.00 C ATOM 717 CG2 VAL A 49 -5.936 -12.384 -23.565 1.00 0.00 C ATOM 0 H VAL A 49 -6.457 -13.547 -21.018 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.586 -15.144 -23.474 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.347 -13.349 -22.485 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.663 -13.267 -24.865 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.610 -14.920 -24.207 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.950 -14.427 -25.269 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.301 -11.599 -23.976 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.702 -12.649 -24.293 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.412 -12.025 -22.652 1.00 0.00 H new ATOM 727 N ALA A 50 -4.196 -15.512 -21.147 1.00 0.00 N ATOM 728 CA ALA A 50 -3.232 -16.456 -20.578 1.00 0.00 C ATOM 729 C ALA A 50 -2.595 -15.907 -19.293 1.00 0.00 C ATOM 730 O ALA A 50 -2.190 -14.753 -19.254 1.00 0.00 O ATOM 731 CB ALA A 50 -2.153 -16.797 -21.622 1.00 0.00 C ATOM 0 H ALA A 50 -4.115 -14.561 -20.786 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.766 -17.368 -20.310 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.439 -17.500 -21.192 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.622 -17.247 -22.497 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.632 -15.886 -21.918 1.00 0.00 H new ATOM 737 N VAL A 51 -2.516 -16.753 -18.249 1.00 0.00 N ATOM 738 CA VAL A 51 -1.837 -16.430 -16.974 1.00 0.00 C ATOM 739 C VAL A 51 -0.643 -17.370 -16.775 1.00 0.00 C ATOM 740 O VAL A 51 -0.763 -18.575 -16.976 1.00 0.00 O ATOM 741 CB VAL A 51 -2.809 -16.522 -15.732 1.00 0.00 C ATOM 742 CG1 VAL A 51 -2.065 -16.258 -14.393 1.00 0.00 C ATOM 743 CG2 VAL A 51 -4.007 -15.551 -15.882 1.00 0.00 C ATOM 0 H VAL A 51 -2.924 -17.688 -18.264 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.495 -15.397 -17.037 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.192 -17.542 -15.706 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.770 -16.331 -13.565 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.275 -16.998 -14.264 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.628 -15.260 -14.410 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.657 -15.638 -15.012 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.639 -14.528 -15.959 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.569 -15.803 -16.781 1.00 0.00 H new ATOM 753 N VAL A 52 0.507 -16.808 -16.388 1.00 0.00 N ATOM 754 CA VAL A 52 1.733 -17.574 -16.118 1.00 0.00 C ATOM 755 C VAL A 52 2.015 -17.631 -14.600 1.00 0.00 C ATOM 756 O VAL A 52 1.636 -16.722 -13.832 1.00 0.00 O ATOM 757 CB VAL A 52 2.963 -16.954 -16.894 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.376 -15.566 -16.335 1.00 0.00 C ATOM 759 CG2 VAL A 52 4.176 -17.924 -16.959 1.00 0.00 C ATOM 0 H VAL A 52 0.616 -15.803 -16.252 1.00 0.00 H new ATOM 0 HA VAL A 52 1.585 -18.593 -16.476 1.00 0.00 H new ATOM 0 HB VAL A 52 2.623 -16.800 -17.918 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.225 -15.183 -16.902 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.539 -14.874 -16.424 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.655 -15.665 -15.286 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.993 -17.449 -17.502 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.504 -18.164 -15.948 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.883 -18.840 -17.473 1.00 0.00 H new ATOM 769 N ASN A 53 2.633 -18.742 -14.185 1.00 0.00 N ATOM 770 CA ASN A 53 3.220 -18.915 -12.848 1.00 0.00 C ATOM 771 C ASN A 53 4.562 -18.153 -12.818 1.00 0.00 C ATOM 772 O ASN A 53 5.229 -18.037 -13.852 1.00 0.00 O ATOM 773 CB ASN A 53 3.399 -20.439 -12.585 1.00 0.00 C ATOM 774 CG ASN A 53 3.905 -20.843 -11.188 1.00 0.00 C ATOM 775 OD1 ASN A 53 4.757 -20.191 -10.588 1.00 0.00 O ATOM 776 ND2 ASN A 53 3.374 -21.940 -10.659 1.00 0.00 N ATOM 0 H ASN A 53 2.742 -19.564 -14.780 1.00 0.00 H new ATOM 0 HA ASN A 53 2.581 -18.514 -12.061 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.440 -20.929 -12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.094 -20.833 -13.326 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.672 -22.257 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.668 -22.465 -11.175 1.00 0.00 H new ATOM 783 N TRP A 54 4.952 -17.654 -11.640 1.00 0.00 N ATOM 784 CA TRP A 54 6.137 -16.783 -11.474 1.00 0.00 C ATOM 785 C TRP A 54 7.455 -17.466 -11.918 1.00 0.00 C ATOM 786 O TRP A 54 8.369 -16.815 -12.433 1.00 0.00 O ATOM 787 CB TRP A 54 6.232 -16.321 -10.007 1.00 0.00 C ATOM 788 CG TRP A 54 6.494 -17.408 -8.980 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.566 -18.183 -8.343 1.00 0.00 C ATOM 790 CD2 TRP A 54 7.774 -17.802 -8.451 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.186 -19.040 -7.475 1.00 0.00 N ATOM 792 CE2 TRP A 54 7.540 -18.826 -7.521 1.00 0.00 C ATOM 793 CE3 TRP A 54 9.093 -17.389 -8.685 1.00 0.00 C ATOM 794 CZ2 TRP A 54 8.573 -19.447 -6.822 1.00 0.00 C ATOM 795 CZ3 TRP A 54 10.119 -18.002 -7.989 1.00 0.00 C ATOM 796 CH2 TRP A 54 9.854 -19.023 -7.067 1.00 0.00 C ATOM 0 H TRP A 54 4.458 -17.839 -10.767 1.00 0.00 H new ATOM 0 HA TRP A 54 6.005 -15.921 -12.128 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.027 -15.579 -9.932 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.301 -15.818 -9.745 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.499 -18.127 -8.502 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.716 -19.728 -6.887 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.305 -16.605 -9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 8.372 -20.235 -6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.139 -17.689 -8.159 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.675 -19.485 -6.539 1.00 0.00 H new ATOM 807 N SER A 55 7.532 -18.779 -11.684 1.00 0.00 N ATOM 808 CA SER A 55 8.695 -19.608 -12.052 1.00 0.00 C ATOM 809 C SER A 55 8.585 -20.124 -13.499 1.00 0.00 C ATOM 810 O SER A 55 9.555 -20.649 -14.058 1.00 0.00 O ATOM 811 CB SER A 55 8.784 -20.787 -11.061 1.00 0.00 C ATOM 812 OG SER A 55 7.546 -21.490 -10.998 1.00 0.00 O ATOM 0 H SER A 55 6.786 -19.306 -11.230 1.00 0.00 H new ATOM 0 HA SER A 55 9.600 -19.002 -11.998 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.578 -21.467 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.048 -20.416 -10.070 1.00 0.00 H new ATOM 0 HG SER A 55 7.599 -22.184 -10.308 1.00 0.00 H new ATOM 818 N GLY A 56 7.395 -19.947 -14.095 1.00 0.00 N ATOM 819 CA GLY A 56 7.066 -20.532 -15.393 1.00 0.00 C ATOM 820 C GLY A 56 6.663 -21.995 -15.284 1.00 0.00 C ATOM 821 O GLY A 56 6.628 -22.709 -16.289 1.00 0.00 O ATOM 0 H GLY A 56 6.640 -19.395 -13.688 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.252 -19.967 -15.848 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.926 -20.443 -16.057 1.00 0.00 H new ATOM 825 N ARG A 57 6.355 -22.425 -14.043 1.00 0.00 N ATOM 826 CA ARG A 57 5.981 -23.818 -13.717 1.00 0.00 C ATOM 827 C ARG A 57 4.726 -24.251 -14.494 1.00 0.00 C ATOM 828 O ARG A 57 4.676 -25.336 -15.083 1.00 0.00 O ATOM 829 CB ARG A 57 5.727 -23.932 -12.189 1.00 0.00 C ATOM 830 CG ARG A 57 5.489 -25.361 -11.651 1.00 0.00 C ATOM 831 CD ARG A 57 6.745 -26.244 -11.755 1.00 0.00 C ATOM 832 NE ARG A 57 7.904 -25.643 -11.050 1.00 0.00 N ATOM 833 CZ ARG A 57 9.154 -25.574 -11.529 1.00 0.00 C ATOM 834 NH1 ARG A 57 9.453 -26.063 -12.725 1.00 0.00 N ATOM 835 NH2 ARG A 57 10.100 -24.998 -10.809 1.00 0.00 N ATOM 0 H ARG A 57 6.359 -21.809 -13.230 1.00 0.00 H new ATOM 0 HA ARG A 57 6.798 -24.478 -14.007 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.582 -23.505 -11.665 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.861 -23.320 -11.937 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.172 -25.306 -10.610 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.675 -25.825 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.534 -27.227 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.997 -26.395 -12.805 1.00 0.00 H new ATOM 0 HE ARG A 57 7.736 -25.250 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.727 -26.499 -13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.409 -26.003 -13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.878 -24.608 -9.893 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.053 -24.943 -11.169 1.00 0.00 H new ATOM 849 N ARG A 58 3.716 -23.367 -14.480 1.00 0.00 N ATOM 850 CA ARG A 58 2.389 -23.627 -15.055 1.00 0.00 C ATOM 851 C ARG A 58 1.959 -22.427 -15.894 1.00 0.00 C ATOM 852 O ARG A 58 2.023 -21.287 -15.432 1.00 0.00 O ATOM 853 CB ARG A 58 1.351 -23.873 -13.925 1.00 0.00 C ATOM 854 CG ARG A 58 1.743 -24.983 -12.930 1.00 0.00 C ATOM 855 CD ARG A 58 0.670 -25.259 -11.866 1.00 0.00 C ATOM 856 NE ARG A 58 1.193 -26.111 -10.785 1.00 0.00 N ATOM 857 CZ ARG A 58 1.405 -27.436 -10.855 1.00 0.00 C ATOM 858 NH1 ARG A 58 1.118 -28.133 -11.951 1.00 0.00 N ATOM 859 NH2 ARG A 58 1.912 -28.059 -9.808 1.00 0.00 N ATOM 0 H ARG A 58 3.800 -22.440 -14.063 1.00 0.00 H new ATOM 0 HA ARG A 58 2.441 -24.516 -15.683 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.205 -22.944 -13.374 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.393 -24.130 -14.378 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.941 -25.902 -13.482 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.672 -24.703 -12.434 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.317 -24.316 -11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.189 -25.744 -12.330 1.00 0.00 H new ATOM 0 HE ARG A 58 1.415 -25.653 -9.901 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.726 -27.662 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.290 -29.138 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.137 -27.535 -8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.079 -29.065 -9.844 1.00 0.00 H new ATOM 873 N THR A 59 1.542 -22.689 -17.128 1.00 0.00 N ATOM 874 CA THR A 59 0.962 -21.682 -18.019 1.00 0.00 C ATOM 875 C THR A 59 -0.484 -22.091 -18.334 1.00 0.00 C ATOM 876 O THR A 59 -0.741 -23.225 -18.743 1.00 0.00 O ATOM 877 CB THR A 59 1.805 -21.560 -19.333 1.00 0.00 C ATOM 878 OG1 THR A 59 1.980 -22.854 -19.940 1.00 0.00 O ATOM 879 CG2 THR A 59 3.189 -20.934 -19.082 1.00 0.00 C ATOM 0 H THR A 59 1.597 -23.618 -17.546 1.00 0.00 H new ATOM 0 HA THR A 59 0.970 -20.706 -17.534 1.00 0.00 H new ATOM 0 HB THR A 59 1.249 -20.903 -20.002 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.233 -23.437 -19.689 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.736 -20.871 -20.023 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.066 -19.934 -18.666 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.747 -21.553 -18.379 1.00 0.00 H new ATOM 887 N TYR A 60 -1.414 -21.155 -18.142 1.00 0.00 N ATOM 888 CA TYR A 60 -2.853 -21.367 -18.331 1.00 0.00 C ATOM 889 C TYR A 60 -3.278 -20.570 -19.560 1.00 0.00 C ATOM 890 O TYR A 60 -3.142 -19.353 -19.564 1.00 0.00 O ATOM 891 CB TYR A 60 -3.645 -20.883 -17.077 1.00 0.00 C ATOM 892 CG TYR A 60 -3.180 -21.495 -15.741 1.00 0.00 C ATOM 893 CD1 TYR A 60 -2.169 -20.891 -14.978 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.756 -22.668 -15.238 1.00 0.00 C ATOM 895 CE1 TYR A 60 -1.756 -21.434 -13.777 1.00 0.00 C ATOM 896 CE2 TYR A 60 -3.341 -23.209 -14.036 1.00 0.00 C ATOM 897 CZ TYR A 60 -2.345 -22.590 -13.312 1.00 0.00 C ATOM 898 OH TYR A 60 -1.935 -23.129 -12.116 1.00 0.00 O ATOM 0 H TYR A 60 -1.185 -20.207 -17.844 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.064 -22.427 -18.469 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.564 -19.798 -17.011 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.700 -21.116 -17.219 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.705 -19.984 -15.337 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.538 -23.158 -15.799 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.975 -20.955 -13.205 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.796 -24.115 -13.665 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.450 -23.942 -11.930 1.00 0.00 H new ATOM 908 N TYR A 61 -3.755 -21.253 -20.604 1.00 0.00 N ATOM 909 CA TYR A 61 -4.234 -20.605 -21.842 1.00 0.00 C ATOM 910 C TYR A 61 -5.731 -20.831 -22.012 1.00 0.00 C ATOM 911 O TYR A 61 -6.291 -21.787 -21.471 1.00 0.00 O ATOM 912 CB TYR A 61 -3.494 -21.171 -23.084 1.00 0.00 C ATOM 913 CG TYR A 61 -1.977 -20.937 -23.078 1.00 0.00 C ATOM 914 CD1 TYR A 61 -1.114 -21.854 -22.480 1.00 0.00 C ATOM 915 CD2 TYR A 61 -1.413 -19.798 -23.661 1.00 0.00 C ATOM 916 CE1 TYR A 61 0.247 -21.647 -22.464 1.00 0.00 C ATOM 917 CE2 TYR A 61 -0.048 -19.594 -23.646 1.00 0.00 C ATOM 918 CZ TYR A 61 0.777 -20.520 -23.045 1.00 0.00 C ATOM 919 OH TYR A 61 2.141 -20.309 -23.017 1.00 0.00 O ATOM 0 H TYR A 61 -3.823 -22.271 -20.621 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.030 -19.537 -21.760 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.684 -22.242 -23.148 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.916 -20.718 -23.981 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.520 -22.743 -22.021 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.055 -19.067 -24.130 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.898 -22.370 -21.995 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.372 -18.711 -24.104 1.00 0.00 H new ATOM 0 HH TYR A 61 2.566 -20.819 -23.738 1.00 0.00 H new ATOM 929 N ALA A 62 -6.372 -19.914 -22.738 1.00 0.00 N ATOM 930 CA ALA A 62 -7.687 -20.155 -23.336 1.00 0.00 C ATOM 931 C ALA A 62 -7.498 -21.051 -24.577 1.00 0.00 C ATOM 932 O ALA A 62 -6.480 -20.935 -25.268 1.00 0.00 O ATOM 933 CB ALA A 62 -8.360 -18.821 -23.704 1.00 0.00 C ATOM 0 H ALA A 62 -5.996 -18.985 -22.928 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.340 -20.660 -22.624 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.336 -19.016 -24.147 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.484 -18.216 -22.806 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.737 -18.285 -24.420 1.00 0.00 H new ATOM 939 N ASP A 63 -8.472 -21.933 -24.858 1.00 0.00 N ATOM 940 CA ASP A 63 -8.386 -22.900 -25.985 1.00 0.00 C ATOM 941 C ASP A 63 -8.265 -22.191 -27.351 1.00 0.00 C ATOM 942 O ASP A 63 -7.714 -22.758 -28.300 1.00 0.00 O ATOM 943 CB ASP A 63 -9.607 -23.846 -25.984 1.00 0.00 C ATOM 944 CG ASP A 63 -9.653 -24.753 -24.747 1.00 0.00 C ATOM 945 OD1 ASP A 63 -9.195 -25.914 -24.819 1.00 0.00 O ATOM 946 OD2 ASP A 63 -10.119 -24.302 -23.684 1.00 0.00 O ATOM 0 H ASP A 63 -9.336 -22.002 -24.321 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.479 -23.485 -25.836 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.521 -23.253 -26.029 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.583 -24.464 -26.882 1.00 0.00 H new ATOM 951 N SER A 64 -8.776 -20.951 -27.424 1.00 0.00 N ATOM 952 CA SER A 64 -8.677 -20.094 -28.618 1.00 0.00 C ATOM 953 C SER A 64 -7.229 -19.613 -28.830 1.00 0.00 C ATOM 954 O SER A 64 -6.718 -19.609 -29.955 1.00 0.00 O ATOM 955 CB SER A 64 -9.615 -18.877 -28.455 1.00 0.00 C ATOM 956 OG SER A 64 -9.597 -18.024 -29.595 1.00 0.00 O ATOM 0 H SER A 64 -9.274 -20.511 -26.650 1.00 0.00 H new ATOM 0 HA SER A 64 -8.975 -20.675 -29.491 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.633 -19.226 -28.281 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.319 -18.308 -27.574 1.00 0.00 H new ATOM 0 HG SER A 64 -10.205 -17.269 -29.449 1.00 0.00 H new ATOM 962 N VAL A 65 -6.568 -19.231 -27.722 1.00 0.00 N ATOM 963 CA VAL A 65 -5.230 -18.607 -27.751 1.00 0.00 C ATOM 964 C VAL A 65 -4.102 -19.647 -27.562 1.00 0.00 C ATOM 965 O VAL A 65 -2.914 -19.311 -27.653 1.00 0.00 O ATOM 966 CB VAL A 65 -5.117 -17.478 -26.657 1.00 0.00 C ATOM 967 CG1 VAL A 65 -6.301 -16.483 -26.749 1.00 0.00 C ATOM 968 CG2 VAL A 65 -4.965 -18.061 -25.238 1.00 0.00 C ATOM 0 H VAL A 65 -6.945 -19.346 -26.781 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.106 -18.160 -28.737 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.205 -16.918 -26.864 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.193 -15.717 -25.981 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.306 -16.013 -27.732 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.239 -17.018 -26.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.891 -17.247 -24.516 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.833 -18.677 -25.003 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.063 -18.672 -25.190 1.00 0.00 H new ATOM 978 N LYS A 66 -4.500 -20.906 -27.309 1.00 0.00 N ATOM 979 CA LYS A 66 -3.580 -22.013 -27.002 1.00 0.00 C ATOM 980 C LYS A 66 -2.716 -22.373 -28.228 1.00 0.00 C ATOM 981 O LYS A 66 -3.252 -22.725 -29.285 1.00 0.00 O ATOM 982 CB LYS A 66 -4.403 -23.249 -26.545 1.00 0.00 C ATOM 983 CG LYS A 66 -3.563 -24.430 -26.011 1.00 0.00 C ATOM 984 CD LYS A 66 -4.418 -25.680 -25.688 1.00 0.00 C ATOM 985 CE LYS A 66 -5.489 -25.436 -24.608 1.00 0.00 C ATOM 986 NZ LYS A 66 -4.897 -25.119 -23.282 1.00 0.00 N ATOM 0 H LYS A 66 -5.481 -21.186 -27.312 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.909 -21.701 -26.202 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.099 -22.936 -25.766 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.002 -23.599 -27.386 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.806 -24.695 -26.750 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.034 -24.116 -25.111 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.906 -26.021 -26.601 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.760 -26.484 -25.359 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.135 -24.615 -24.920 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.119 -26.321 -24.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.499 -25.511 -22.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.947 -25.536 -23.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.830 -24.087 -23.169 1.00 0.00 H new ATOM 1000 N GLY A 67 -1.384 -22.245 -28.078 1.00 0.00 N ATOM 1001 CA GLY A 67 -0.409 -22.632 -29.110 1.00 0.00 C ATOM 1002 C GLY A 67 0.030 -21.481 -30.010 1.00 0.00 C ATOM 1003 O GLY A 67 1.144 -21.502 -30.554 1.00 0.00 O ATOM 0 H GLY A 67 -0.954 -21.868 -27.233 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.470 -23.056 -28.624 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.842 -23.418 -29.728 1.00 0.00 H new ATOM 1007 N ARG A 68 -0.840 -20.472 -30.161 1.00 0.00 N ATOM 1008 CA ARG A 68 -0.559 -19.271 -30.977 1.00 0.00 C ATOM 1009 C ARG A 68 -0.043 -18.121 -30.096 1.00 0.00 C ATOM 1010 O ARG A 68 0.453 -17.118 -30.599 1.00 0.00 O ATOM 1011 CB ARG A 68 -1.825 -18.854 -31.769 1.00 0.00 C ATOM 1012 CG ARG A 68 -3.063 -18.580 -30.899 1.00 0.00 C ATOM 1013 CD ARG A 68 -4.330 -18.299 -31.718 1.00 0.00 C ATOM 1014 NE ARG A 68 -4.162 -17.153 -32.631 1.00 0.00 N ATOM 1015 CZ ARG A 68 -4.870 -16.017 -32.590 1.00 0.00 C ATOM 1016 NH1 ARG A 68 -5.808 -15.826 -31.668 1.00 0.00 N ATOM 1017 NH2 ARG A 68 -4.652 -15.074 -33.484 1.00 0.00 N ATOM 0 H ARG A 68 -1.761 -20.461 -29.722 1.00 0.00 H new ATOM 0 HA ARG A 68 0.226 -19.510 -31.695 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.598 -17.958 -32.347 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.066 -19.641 -32.483 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.240 -19.438 -30.251 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.861 -17.727 -30.250 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.591 -19.186 -32.295 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.162 -18.103 -31.041 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.447 -17.232 -33.354 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.998 -16.551 -30.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.337 -14.954 -31.652 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.945 -15.210 -34.206 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.191 -14.208 -33.454 1.00 0.00 H new ATOM 1031 N PHE A 69 -0.193 -18.266 -28.770 1.00 0.00 N ATOM 1032 CA PHE A 69 0.435 -17.374 -27.780 1.00 0.00 C ATOM 1033 C PHE A 69 1.286 -18.211 -26.811 1.00 0.00 C ATOM 1034 O PHE A 69 1.059 -19.415 -26.646 1.00 0.00 O ATOM 1035 CB PHE A 69 -0.629 -16.568 -26.994 1.00 0.00 C ATOM 1036 CG PHE A 69 -1.438 -15.566 -27.828 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -2.645 -15.926 -28.408 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -1.009 -14.254 -27.998 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -3.401 -15.018 -29.121 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -1.763 -13.346 -28.718 1.00 0.00 C ATOM 1041 CZ PHE A 69 -2.960 -13.727 -29.274 1.00 0.00 C ATOM 0 H PHE A 69 -0.755 -19.007 -28.352 1.00 0.00 H new ATOM 0 HA PHE A 69 1.069 -16.661 -28.307 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.321 -17.269 -26.527 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.131 -16.028 -26.189 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.001 -16.940 -28.299 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.073 -13.940 -27.561 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.340 -15.323 -29.559 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.410 -12.333 -28.844 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.552 -13.014 -29.829 1.00 0.00 H new ATOM 1051 N THR A 70 2.283 -17.556 -26.201 1.00 0.00 N ATOM 1052 CA THR A 70 3.162 -18.142 -25.174 1.00 0.00 C ATOM 1053 C THR A 70 3.585 -17.026 -24.208 1.00 0.00 C ATOM 1054 O THR A 70 3.889 -15.917 -24.657 1.00 0.00 O ATOM 1055 CB THR A 70 4.434 -18.808 -25.815 1.00 0.00 C ATOM 1056 OG1 THR A 70 4.042 -19.879 -26.697 1.00 0.00 O ATOM 1057 CG2 THR A 70 5.415 -19.358 -24.760 1.00 0.00 C ATOM 0 H THR A 70 2.508 -16.583 -26.411 1.00 0.00 H new ATOM 0 HA THR A 70 2.618 -18.924 -24.644 1.00 0.00 H new ATOM 0 HB THR A 70 4.949 -18.025 -26.371 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.841 -20.286 -27.092 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.274 -19.806 -25.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.753 -18.544 -24.118 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.913 -20.113 -24.155 1.00 0.00 H new ATOM 1065 N ILE A 71 3.602 -17.304 -22.884 1.00 0.00 N ATOM 1066 CA ILE A 71 4.116 -16.334 -21.890 1.00 0.00 C ATOM 1067 C ILE A 71 5.523 -16.767 -21.450 1.00 0.00 C ATOM 1068 O ILE A 71 5.819 -17.961 -21.338 1.00 0.00 O ATOM 1069 CB ILE A 71 3.219 -16.141 -20.588 1.00 0.00 C ATOM 1070 CG1 ILE A 71 1.694 -16.393 -20.849 1.00 0.00 C ATOM 1071 CG2 ILE A 71 3.441 -14.723 -19.988 1.00 0.00 C ATOM 1072 CD1 ILE A 71 1.269 -17.843 -20.716 1.00 0.00 C ATOM 0 H ILE A 71 3.270 -18.181 -22.483 1.00 0.00 H new ATOM 0 HA ILE A 71 4.110 -15.371 -22.401 1.00 0.00 H new ATOM 0 HB ILE A 71 3.539 -16.896 -19.870 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.113 -15.791 -20.150 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.447 -16.045 -21.852 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.822 -14.603 -19.099 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.490 -14.602 -19.719 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.166 -13.969 -20.725 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.200 -17.928 -20.912 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.820 -18.451 -21.434 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.481 -18.193 -19.706 1.00 0.00 H new ATOM 1084 N SER A 72 6.366 -15.773 -21.206 1.00 0.00 N ATOM 1085 CA SER A 72 7.712 -15.930 -20.652 1.00 0.00 C ATOM 1086 C SER A 72 7.899 -14.840 -19.590 1.00 0.00 C ATOM 1087 O SER A 72 7.217 -13.815 -19.628 1.00 0.00 O ATOM 1088 CB SER A 72 8.776 -15.805 -21.771 1.00 0.00 C ATOM 1089 OG SER A 72 8.517 -16.721 -22.820 1.00 0.00 O ATOM 0 H SER A 72 6.127 -14.799 -21.394 1.00 0.00 H new ATOM 0 HA SER A 72 7.833 -16.916 -20.204 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.779 -14.788 -22.163 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.768 -15.990 -21.358 1.00 0.00 H new ATOM 0 HG SER A 72 9.200 -16.623 -23.516 1.00 0.00 H new ATOM 1095 N ARG A 73 8.800 -15.073 -18.638 1.00 0.00 N ATOM 1096 CA ARG A 73 9.123 -14.099 -17.589 1.00 0.00 C ATOM 1097 C ARG A 73 10.528 -14.378 -17.068 1.00 0.00 C ATOM 1098 O ARG A 73 11.038 -15.498 -17.205 1.00 0.00 O ATOM 1099 CB ARG A 73 8.069 -14.093 -16.424 1.00 0.00 C ATOM 1100 CG ARG A 73 8.081 -15.284 -15.414 1.00 0.00 C ATOM 1101 CD ARG A 73 7.682 -16.657 -16.013 1.00 0.00 C ATOM 1102 NE ARG A 73 8.794 -17.312 -16.737 1.00 0.00 N ATOM 1103 CZ ARG A 73 8.667 -18.221 -17.718 1.00 0.00 C ATOM 1104 NH1 ARG A 73 7.470 -18.566 -18.185 1.00 0.00 N ATOM 1105 NH2 ARG A 73 9.752 -18.770 -18.239 1.00 0.00 N ATOM 0 H ARG A 73 9.329 -15.942 -18.569 1.00 0.00 H new ATOM 0 HA ARG A 73 9.087 -13.101 -18.025 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.205 -13.173 -15.856 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.077 -14.046 -16.873 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.080 -15.368 -14.987 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.402 -15.052 -14.594 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.340 -17.312 -15.212 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.842 -16.521 -16.694 1.00 0.00 H new ATOM 0 HE ARG A 73 9.742 -17.050 -16.467 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.629 -18.138 -17.798 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.393 -19.258 -18.930 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.674 -18.502 -17.895 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.666 -19.461 -18.984 1.00 0.00 H new ATOM 1119 N ASP A 74 11.148 -13.356 -16.484 1.00 0.00 N ATOM 1120 CA ASP A 74 12.491 -13.459 -15.914 1.00 0.00 C ATOM 1121 C ASP A 74 12.520 -12.679 -14.602 1.00 0.00 C ATOM 1122 O ASP A 74 12.285 -11.473 -14.595 1.00 0.00 O ATOM 1123 CB ASP A 74 13.556 -12.927 -16.906 1.00 0.00 C ATOM 1124 CG ASP A 74 14.995 -13.181 -16.418 1.00 0.00 C ATOM 1125 OD1 ASP A 74 15.624 -12.266 -15.871 1.00 0.00 O ATOM 1126 OD2 ASP A 74 15.492 -14.318 -16.571 1.00 0.00 O ATOM 0 H ASP A 74 10.733 -12.429 -16.392 1.00 0.00 H new ATOM 0 HA ASP A 74 12.731 -14.505 -15.721 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.415 -13.404 -17.876 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.409 -11.857 -17.053 1.00 0.00 H new ATOM 1131 N ASN A 75 12.811 -13.386 -13.506 1.00 0.00 N ATOM 1132 CA ASN A 75 12.735 -12.851 -12.137 1.00 0.00 C ATOM 1133 C ASN A 75 14.003 -12.062 -11.746 1.00 0.00 C ATOM 1134 O ASN A 75 14.055 -11.489 -10.652 1.00 0.00 O ATOM 1135 CB ASN A 75 12.465 -14.014 -11.140 1.00 0.00 C ATOM 1136 CG ASN A 75 11.131 -14.741 -11.389 1.00 0.00 C ATOM 1137 OD1 ASN A 75 10.156 -14.139 -11.842 1.00 0.00 O ATOM 1138 ND2 ASN A 75 11.070 -16.035 -11.088 1.00 0.00 N ATOM 0 H ASN A 75 13.111 -14.360 -13.542 1.00 0.00 H new ATOM 0 HA ASN A 75 11.908 -12.142 -12.095 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.280 -14.735 -11.206 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.470 -13.619 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.202 -16.552 -11.231 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.891 -16.511 -10.714 1.00 0.00 H new ATOM 1145 N ALA A 76 15.027 -12.047 -12.625 1.00 0.00 N ATOM 1146 CA ALA A 76 16.241 -11.224 -12.422 1.00 0.00 C ATOM 1147 C ALA A 76 16.003 -9.807 -12.972 1.00 0.00 C ATOM 1148 O ALA A 76 16.139 -8.815 -12.255 1.00 0.00 O ATOM 1149 CB ALA A 76 17.458 -11.883 -13.084 1.00 0.00 C ATOM 0 H ALA A 76 15.038 -12.596 -13.484 1.00 0.00 H new ATOM 0 HA ALA A 76 16.450 -11.150 -11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.340 -11.263 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 76 17.622 -12.867 -12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 76 17.278 -11.988 -14.154 1.00 0.00 H new ATOM 1155 N LYS A 77 15.594 -9.743 -14.251 1.00 0.00 N ATOM 1156 CA LYS A 77 15.270 -8.479 -14.943 1.00 0.00 C ATOM 1157 C LYS A 77 13.872 -7.975 -14.539 1.00 0.00 C ATOM 1158 O LYS A 77 13.514 -6.828 -14.837 1.00 0.00 O ATOM 1159 CB LYS A 77 15.323 -8.679 -16.480 1.00 0.00 C ATOM 1160 CG LYS A 77 16.687 -9.167 -17.029 1.00 0.00 C ATOM 1161 CD LYS A 77 16.655 -9.422 -18.559 1.00 0.00 C ATOM 1162 CE LYS A 77 15.625 -10.497 -18.963 1.00 0.00 C ATOM 1163 NZ LYS A 77 15.608 -10.747 -20.423 1.00 0.00 N ATOM 0 H LYS A 77 15.478 -10.569 -14.838 1.00 0.00 H new ATOM 0 HA LYS A 77 16.010 -7.735 -14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.555 -9.398 -16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 77 15.070 -7.735 -16.963 1.00 0.00 H new ATOM 0 HG2 LYS A 77 17.452 -8.424 -16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.974 -10.085 -16.517 1.00 0.00 H new ATOM 0 HD2 LYS A 77 16.422 -8.490 -19.074 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.646 -9.731 -18.892 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.852 -11.427 -18.441 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.632 -10.184 -18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.452 -11.760 -20.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.841 -10.197 -20.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.519 -10.460 -20.835 1.00 0.00 H new ATOM 1177 N ASN A 78 13.090 -8.875 -13.901 1.00 0.00 N ATOM 1178 CA ASN A 78 11.718 -8.609 -13.432 1.00 0.00 C ATOM 1179 C ASN A 78 10.788 -8.247 -14.602 1.00 0.00 C ATOM 1180 O ASN A 78 9.853 -7.475 -14.455 1.00 0.00 O ATOM 1181 CB ASN A 78 11.708 -7.527 -12.305 1.00 0.00 C ATOM 1182 CG ASN A 78 12.439 -7.955 -11.025 1.00 0.00 C ATOM 1183 OD1 ASN A 78 13.028 -7.129 -10.321 1.00 0.00 O ATOM 1184 ND2 ASN A 78 12.393 -9.240 -10.687 1.00 0.00 N ATOM 0 H ASN A 78 13.404 -9.823 -13.696 1.00 0.00 H new ATOM 0 HA ASN A 78 11.326 -9.526 -12.993 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.167 -6.615 -12.686 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.675 -7.284 -12.058 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.849 -9.559 -9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.901 -9.907 -11.282 1.00 0.00 H new ATOM 1191 N THR A 79 11.038 -8.872 -15.766 1.00 0.00 N ATOM 1192 CA THR A 79 10.343 -8.542 -17.021 1.00 0.00 C ATOM 1193 C THR A 79 9.566 -9.759 -17.567 1.00 0.00 C ATOM 1194 O THR A 79 10.112 -10.864 -17.644 1.00 0.00 O ATOM 1195 CB THR A 79 11.361 -8.037 -18.090 1.00 0.00 C ATOM 1196 OG1 THR A 79 12.164 -6.982 -17.535 1.00 0.00 O ATOM 1197 CG2 THR A 79 10.653 -7.521 -19.350 1.00 0.00 C ATOM 0 H THR A 79 11.726 -9.619 -15.862 1.00 0.00 H new ATOM 0 HA THR A 79 9.627 -7.748 -16.806 1.00 0.00 H new ATOM 0 HB THR A 79 11.989 -8.882 -18.373 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.803 -6.669 -18.208 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.396 -7.178 -20.070 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.064 -8.325 -19.791 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.996 -6.693 -19.085 1.00 0.00 H new ATOM 1205 N VAL A 80 8.292 -9.530 -17.948 1.00 0.00 N ATOM 1206 CA VAL A 80 7.406 -10.554 -18.532 1.00 0.00 C ATOM 1207 C VAL A 80 7.273 -10.330 -20.056 1.00 0.00 C ATOM 1208 O VAL A 80 6.813 -9.274 -20.496 1.00 0.00 O ATOM 1209 CB VAL A 80 5.978 -10.518 -17.865 1.00 0.00 C ATOM 1210 CG1 VAL A 80 5.064 -11.631 -18.437 1.00 0.00 C ATOM 1211 CG2 VAL A 80 6.082 -10.613 -16.321 1.00 0.00 C ATOM 0 H VAL A 80 7.846 -8.617 -17.857 1.00 0.00 H new ATOM 0 HA VAL A 80 7.849 -11.532 -18.343 1.00 0.00 H new ATOM 0 HB VAL A 80 5.520 -9.559 -18.108 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.086 -11.581 -17.958 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.949 -11.491 -19.512 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.513 -12.605 -18.244 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.083 -10.586 -15.887 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.572 -11.547 -16.046 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.665 -9.773 -15.943 1.00 0.00 H new ATOM 1221 N TYR A 81 7.688 -11.329 -20.850 1.00 0.00 N ATOM 1222 CA TYR A 81 7.636 -11.279 -22.324 1.00 0.00 C ATOM 1223 C TYR A 81 6.441 -12.103 -22.845 1.00 0.00 C ATOM 1224 O TYR A 81 6.366 -13.303 -22.579 1.00 0.00 O ATOM 1225 CB TYR A 81 8.953 -11.842 -22.915 1.00 0.00 C ATOM 1226 CG TYR A 81 10.217 -11.086 -22.482 1.00 0.00 C ATOM 1227 CD1 TYR A 81 10.837 -11.358 -21.257 1.00 0.00 C ATOM 1228 CD2 TYR A 81 10.787 -10.098 -23.292 1.00 0.00 C ATOM 1229 CE1 TYR A 81 11.974 -10.677 -20.861 1.00 0.00 C ATOM 1230 CE2 TYR A 81 11.925 -9.418 -22.898 1.00 0.00 C ATOM 1231 CZ TYR A 81 12.512 -9.706 -21.685 1.00 0.00 C ATOM 1232 OH TYR A 81 13.638 -9.013 -21.291 1.00 0.00 O ATOM 0 H TYR A 81 8.072 -12.201 -20.487 1.00 0.00 H new ATOM 0 HA TYR A 81 7.513 -10.242 -22.635 1.00 0.00 H new ATOM 0 HB2 TYR A 81 9.051 -12.887 -22.621 1.00 0.00 H new ATOM 0 HB3 TYR A 81 8.887 -11.821 -24.003 1.00 0.00 H new ATOM 0 HD1 TYR A 81 10.420 -12.114 -20.609 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.330 -9.862 -24.242 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.439 -10.903 -19.913 1.00 0.00 H new ATOM 0 HE2 TYR A 81 12.353 -8.662 -23.540 1.00 0.00 H new ATOM 0 HH TYR A 81 13.885 -8.368 -21.986 1.00 0.00 H new ATOM 1242 N LEU A 82 5.512 -11.471 -23.587 1.00 0.00 N ATOM 1243 CA LEU A 82 4.347 -12.176 -24.173 1.00 0.00 C ATOM 1244 C LEU A 82 4.566 -12.346 -25.683 1.00 0.00 C ATOM 1245 O LEU A 82 4.555 -11.371 -26.434 1.00 0.00 O ATOM 1246 CB LEU A 82 3.026 -11.405 -23.862 1.00 0.00 C ATOM 1247 CG LEU A 82 1.654 -12.159 -24.060 1.00 0.00 C ATOM 1248 CD1 LEU A 82 1.213 -12.240 -25.530 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.680 -13.561 -23.419 1.00 0.00 C ATOM 0 H LEU A 82 5.542 -10.473 -23.797 1.00 0.00 H new ATOM 0 HA LEU A 82 4.252 -13.165 -23.725 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.074 -11.068 -22.826 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.008 -10.512 -24.487 1.00 0.00 H new ATOM 0 HG LEU A 82 0.908 -11.556 -23.543 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.263 -12.770 -25.596 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.095 -11.233 -25.931 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.968 -12.774 -26.107 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.719 -14.050 -23.575 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.469 -14.156 -23.878 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.871 -13.469 -22.350 1.00 0.00 H new ATOM 1261 N GLN A 83 4.782 -13.595 -26.100 1.00 0.00 N ATOM 1262 CA GLN A 83 4.967 -13.967 -27.505 1.00 0.00 C ATOM 1263 C GLN A 83 3.594 -14.177 -28.178 1.00 0.00 C ATOM 1264 O GLN A 83 2.924 -15.185 -27.945 1.00 0.00 O ATOM 1265 CB GLN A 83 5.848 -15.250 -27.624 1.00 0.00 C ATOM 1266 CG GLN A 83 7.331 -15.082 -27.187 1.00 0.00 C ATOM 1267 CD GLN A 83 7.560 -14.843 -25.679 1.00 0.00 C ATOM 1268 OE1 GLN A 83 8.489 -14.139 -25.287 1.00 0.00 O ATOM 1269 NE2 GLN A 83 6.735 -15.443 -24.821 1.00 0.00 N ATOM 0 H GLN A 83 4.834 -14.389 -25.462 1.00 0.00 H new ATOM 0 HA GLN A 83 5.486 -13.158 -28.018 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.396 -16.038 -27.021 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.828 -15.589 -28.660 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.881 -15.975 -27.483 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.761 -14.246 -27.738 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.971 -16.022 -25.169 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.868 -15.323 -23.817 1.00 0.00 H new ATOM 1278 N MET A 84 3.177 -13.180 -28.964 1.00 0.00 N ATOM 1279 CA MET A 84 1.988 -13.248 -29.833 1.00 0.00 C ATOM 1280 C MET A 84 2.401 -13.843 -31.184 1.00 0.00 C ATOM 1281 O MET A 84 3.479 -13.511 -31.695 1.00 0.00 O ATOM 1282 CB MET A 84 1.401 -11.825 -30.080 1.00 0.00 C ATOM 1283 CG MET A 84 1.037 -11.040 -28.825 1.00 0.00 C ATOM 1284 SD MET A 84 0.353 -9.400 -29.182 1.00 0.00 S ATOM 1285 CE MET A 84 -1.201 -9.799 -29.970 1.00 0.00 C ATOM 0 H MET A 84 3.662 -12.284 -29.018 1.00 0.00 H new ATOM 0 HA MET A 84 1.232 -13.865 -29.346 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.126 -11.246 -30.652 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.509 -11.921 -30.699 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.312 -11.611 -28.245 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.925 -10.929 -28.203 1.00 0.00 H new ATOM 0 HE1 MET A 84 -1.237 -9.339 -30.958 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.291 -10.881 -30.070 1.00 0.00 H new ATOM 0 HE3 MET A 84 -2.024 -9.421 -29.364 1.00 0.00 H new ATOM 1295 N ASN A 85 1.552 -14.705 -31.762 1.00 0.00 N ATOM 1296 CA ASN A 85 1.832 -15.323 -33.083 1.00 0.00 C ATOM 1297 C ASN A 85 0.523 -15.775 -33.763 1.00 0.00 C ATOM 1298 O ASN A 85 -0.492 -16.002 -33.085 1.00 0.00 O ATOM 1299 CB ASN A 85 2.835 -16.509 -32.906 1.00 0.00 C ATOM 1300 CG ASN A 85 3.564 -16.949 -34.193 1.00 0.00 C ATOM 1301 OD1 ASN A 85 3.010 -16.955 -35.292 1.00 0.00 O ATOM 1302 ND2 ASN A 85 4.834 -17.293 -34.059 1.00 0.00 N ATOM 0 H ASN A 85 0.668 -14.994 -31.344 1.00 0.00 H new ATOM 0 HA ASN A 85 2.293 -14.583 -33.737 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.581 -16.226 -32.164 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.294 -17.365 -32.503 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.376 -17.571 -34.877 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.271 -17.280 -33.138 1.00 0.00 H new ATOM 1309 N SER A 86 0.557 -15.852 -35.120 1.00 0.00 N ATOM 1310 CA SER A 86 -0.561 -16.337 -35.959 1.00 0.00 C ATOM 1311 C SER A 86 -1.804 -15.441 -35.766 1.00 0.00 C ATOM 1312 O SER A 86 -2.952 -15.914 -35.741 1.00 0.00 O ATOM 1313 CB SER A 86 -0.857 -17.827 -35.636 1.00 0.00 C ATOM 1314 OG SER A 86 0.318 -18.626 -35.724 1.00 0.00 O ATOM 0 H SER A 86 1.374 -15.574 -35.664 1.00 0.00 H new ATOM 0 HA SER A 86 -0.281 -16.277 -37.011 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.277 -17.906 -34.633 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.609 -18.207 -36.327 1.00 0.00 H new ATOM 0 HG SER A 86 0.097 -19.557 -35.513 1.00 0.00 H new ATOM 1320 N LEU A 87 -1.531 -14.133 -35.647 1.00 0.00 N ATOM 1321 CA LEU A 87 -2.509 -13.122 -35.233 1.00 0.00 C ATOM 1322 C LEU A 87 -3.601 -12.914 -36.279 1.00 0.00 C ATOM 1323 O LEU A 87 -3.320 -12.739 -37.448 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.781 -11.798 -34.908 1.00 0.00 C ATOM 1325 CG LEU A 87 -0.769 -11.898 -33.731 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -0.072 -10.549 -33.461 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.468 -12.460 -32.468 1.00 0.00 C ATOM 0 H LEU A 87 -0.608 -13.744 -35.840 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.010 -13.482 -34.335 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.252 -11.459 -35.799 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.524 -11.037 -34.670 1.00 0.00 H new ATOM 0 HG LEU A 87 0.019 -12.596 -34.014 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.627 -10.660 -32.632 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.470 -10.235 -34.353 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.820 -9.798 -33.207 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.748 -12.525 -31.652 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.285 -11.799 -32.180 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.863 -13.453 -32.682 1.00 0.00 H new ATOM 1339 N LYS A 88 -4.843 -12.976 -35.825 1.00 0.00 N ATOM 1340 CA LYS A 88 -6.036 -12.801 -36.652 1.00 0.00 C ATOM 1341 C LYS A 88 -6.558 -11.366 -36.441 1.00 0.00 C ATOM 1342 O LYS A 88 -6.284 -10.790 -35.397 1.00 0.00 O ATOM 1343 CB LYS A 88 -7.061 -13.882 -36.221 1.00 0.00 C ATOM 1344 CG LYS A 88 -6.564 -15.335 -36.451 1.00 0.00 C ATOM 1345 CD LYS A 88 -7.287 -16.395 -35.576 1.00 0.00 C ATOM 1346 CE LYS A 88 -8.817 -16.326 -35.671 1.00 0.00 C ATOM 1347 NZ LYS A 88 -9.304 -16.344 -37.074 1.00 0.00 N ATOM 0 H LYS A 88 -5.059 -13.154 -34.844 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.837 -12.925 -37.716 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.294 -13.749 -35.165 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.989 -13.732 -36.773 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.699 -15.592 -37.502 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.494 -15.379 -36.247 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.957 -17.389 -35.877 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.989 -16.261 -34.536 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.249 -17.168 -35.130 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.167 -15.418 -35.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.326 -16.534 -37.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.119 -15.422 -37.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.808 -17.089 -37.604 1.00 0.00 H new ATOM 1361 N PRO A 89 -7.298 -10.760 -37.424 1.00 0.00 N ATOM 1362 CA PRO A 89 -7.755 -9.331 -37.354 1.00 0.00 C ATOM 1363 C PRO A 89 -8.541 -8.960 -36.063 1.00 0.00 C ATOM 1364 O PRO A 89 -8.573 -7.792 -35.651 1.00 0.00 O ATOM 1365 CB PRO A 89 -8.656 -9.192 -38.613 1.00 0.00 C ATOM 1366 CG PRO A 89 -8.943 -10.590 -39.063 1.00 0.00 C ATOM 1367 CD PRO A 89 -7.732 -11.389 -38.694 1.00 0.00 C ATOM 0 HA PRO A 89 -6.904 -8.651 -37.325 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.578 -8.660 -38.378 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.151 -8.625 -39.395 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.835 -10.983 -38.576 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.124 -10.626 -40.137 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.969 -12.445 -38.562 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.959 -11.329 -39.460 1.00 0.00 H new ATOM 1375 N GLU A 90 -9.149 -9.980 -35.443 1.00 0.00 N ATOM 1376 CA GLU A 90 -9.984 -9.847 -34.231 1.00 0.00 C ATOM 1377 C GLU A 90 -9.141 -9.709 -32.936 1.00 0.00 C ATOM 1378 O GLU A 90 -9.671 -9.322 -31.889 1.00 0.00 O ATOM 1379 CB GLU A 90 -10.919 -11.082 -34.157 1.00 0.00 C ATOM 1380 CG GLU A 90 -10.180 -12.456 -34.206 1.00 0.00 C ATOM 1381 CD GLU A 90 -10.863 -13.479 -35.126 1.00 0.00 C ATOM 1382 OE1 GLU A 90 -10.656 -13.406 -36.364 1.00 0.00 O ATOM 1383 OE2 GLU A 90 -11.597 -14.356 -34.628 1.00 0.00 O ATOM 0 H GLU A 90 -9.076 -10.942 -35.773 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.566 -8.928 -34.303 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.499 -11.028 -33.236 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.628 -11.035 -34.983 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.156 -12.299 -34.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.122 -12.866 -33.198 1.00 0.00 H new ATOM 1390 N ASP A 91 -7.827 -10.011 -33.022 1.00 0.00 N ATOM 1391 CA ASP A 91 -6.881 -9.919 -31.876 1.00 0.00 C ATOM 1392 C ASP A 91 -6.458 -8.461 -31.583 1.00 0.00 C ATOM 1393 O ASP A 91 -5.671 -8.227 -30.653 1.00 0.00 O ATOM 1394 CB ASP A 91 -5.616 -10.786 -32.143 1.00 0.00 C ATOM 1395 CG ASP A 91 -5.919 -12.296 -32.179 1.00 0.00 C ATOM 1396 OD1 ASP A 91 -6.507 -12.782 -33.165 1.00 0.00 O ATOM 1397 OD2 ASP A 91 -5.541 -13.017 -31.238 1.00 0.00 O ATOM 0 H ASP A 91 -7.387 -10.326 -33.886 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.407 -10.297 -30.999 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.171 -10.487 -33.092 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.876 -10.588 -31.368 1.00 0.00 H new ATOM 1402 N THR A 92 -6.949 -7.496 -32.405 1.00 0.00 N ATOM 1403 CA THR A 92 -6.738 -6.053 -32.175 1.00 0.00 C ATOM 1404 C THR A 92 -7.396 -5.634 -30.843 1.00 0.00 C ATOM 1405 O THR A 92 -8.631 -5.582 -30.745 1.00 0.00 O ATOM 1406 CB THR A 92 -7.319 -5.184 -33.346 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.743 -5.582 -34.594 1.00 0.00 O ATOM 1408 CG2 THR A 92 -7.064 -3.684 -33.134 1.00 0.00 C ATOM 0 H THR A 92 -7.498 -7.701 -33.240 1.00 0.00 H new ATOM 0 HA THR A 92 -5.663 -5.879 -32.131 1.00 0.00 H new ATOM 0 HB THR A 92 -8.396 -5.350 -33.360 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.284 -6.296 -34.991 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.483 -3.122 -33.969 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.537 -3.362 -32.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.991 -3.502 -33.077 1.00 0.00 H new ATOM 1416 N ALA A 93 -6.556 -5.355 -29.828 1.00 0.00 N ATOM 1417 CA ALA A 93 -7.018 -5.091 -28.453 1.00 0.00 C ATOM 1418 C ALA A 93 -5.878 -4.548 -27.589 1.00 0.00 C ATOM 1419 O ALA A 93 -4.701 -4.681 -27.943 1.00 0.00 O ATOM 1420 CB ALA A 93 -7.624 -6.367 -27.827 1.00 0.00 C ATOM 0 H ALA A 93 -5.543 -5.307 -29.938 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.798 -4.330 -28.497 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.959 -6.151 -26.812 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.472 -6.699 -28.426 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.869 -7.153 -27.800 1.00 0.00 H new ATOM 1426 N VAL A 94 -6.237 -3.889 -26.475 1.00 0.00 N ATOM 1427 CA VAL A 94 -5.261 -3.459 -25.472 1.00 0.00 C ATOM 1428 C VAL A 94 -5.006 -4.627 -24.489 1.00 0.00 C ATOM 1429 O VAL A 94 -5.928 -5.121 -23.825 1.00 0.00 O ATOM 1430 CB VAL A 94 -5.717 -2.129 -24.742 1.00 0.00 C ATOM 1431 CG1 VAL A 94 -7.011 -2.296 -23.909 1.00 0.00 C ATOM 1432 CG2 VAL A 94 -4.579 -1.549 -23.883 1.00 0.00 C ATOM 0 H VAL A 94 -7.201 -3.644 -26.250 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.320 -3.210 -25.962 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.955 -1.418 -25.533 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.265 -1.347 -23.437 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.827 -2.606 -24.562 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.854 -3.053 -23.140 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.921 -0.637 -23.394 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.286 -2.278 -23.127 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.723 -1.321 -24.519 1.00 0.00 H new ATOM 1442 N TYR A 95 -3.760 -5.126 -24.490 1.00 0.00 N ATOM 1443 CA TYR A 95 -3.314 -6.235 -23.630 1.00 0.00 C ATOM 1444 C TYR A 95 -2.685 -5.653 -22.360 1.00 0.00 C ATOM 1445 O TYR A 95 -1.666 -4.968 -22.429 1.00 0.00 O ATOM 1446 CB TYR A 95 -2.275 -7.129 -24.381 1.00 0.00 C ATOM 1447 CG TYR A 95 -2.849 -7.997 -25.514 1.00 0.00 C ATOM 1448 CD1 TYR A 95 -3.590 -7.437 -26.556 1.00 0.00 C ATOM 1449 CD2 TYR A 95 -2.639 -9.384 -25.547 1.00 0.00 C ATOM 1450 CE1 TYR A 95 -4.097 -8.214 -27.573 1.00 0.00 C ATOM 1451 CE2 TYR A 95 -3.147 -10.163 -26.570 1.00 0.00 C ATOM 1452 CZ TYR A 95 -3.875 -9.569 -27.577 1.00 0.00 C ATOM 1453 OH TYR A 95 -4.384 -10.333 -28.600 1.00 0.00 O ATOM 0 H TYR A 95 -3.023 -4.766 -25.096 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.170 -6.857 -23.369 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.500 -6.485 -24.797 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.791 -7.782 -23.655 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.769 -6.372 -26.565 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.069 -9.852 -24.758 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.669 -7.758 -28.367 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.974 -11.229 -26.579 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.783 -9.748 -29.277 1.00 0.00 H new ATOM 1463 N ASN A 96 -3.296 -5.923 -21.206 1.00 0.00 N ATOM 1464 CA ASN A 96 -2.792 -5.463 -19.908 1.00 0.00 C ATOM 1465 C ASN A 96 -2.091 -6.613 -19.191 1.00 0.00 C ATOM 1466 O ASN A 96 -2.634 -7.721 -19.088 1.00 0.00 O ATOM 1467 CB ASN A 96 -3.946 -4.902 -19.032 1.00 0.00 C ATOM 1468 CG ASN A 96 -4.476 -3.557 -19.530 1.00 0.00 C ATOM 1469 OD1 ASN A 96 -5.387 -3.498 -20.363 1.00 0.00 O ATOM 1470 ND2 ASN A 96 -3.915 -2.462 -19.023 1.00 0.00 N ATOM 0 H ASN A 96 -4.156 -6.468 -21.143 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.077 -4.658 -20.077 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -4.763 -5.623 -19.012 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.595 -4.790 -18.006 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.235 -1.540 -19.321 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.165 -2.544 -18.337 1.00 0.00 H new ATOM 1477 N CYS A 97 -0.888 -6.319 -18.697 1.00 0.00 N ATOM 1478 CA CYS A 97 -0.119 -7.198 -17.828 1.00 0.00 C ATOM 1479 C CYS A 97 -0.650 -7.002 -16.419 1.00 0.00 C ATOM 1480 O CYS A 97 -0.380 -5.981 -15.789 1.00 0.00 O ATOM 1481 CB CYS A 97 1.386 -6.830 -17.887 1.00 0.00 C ATOM 1482 SG CYS A 97 2.423 -7.611 -16.622 1.00 0.00 S ATOM 0 H CYS A 97 -0.413 -5.439 -18.898 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.218 -8.237 -18.142 1.00 0.00 H new ATOM 0 HB2 CYS A 97 1.772 -7.103 -18.869 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.483 -5.748 -17.796 1.00 0.00 H new ATOM 0 HG CYS A 97 3.593 -7.875 -17.123 1.00 0.00 H new ATOM 1488 N ALA A 98 -1.467 -7.951 -15.973 1.00 0.00 N ATOM 1489 CA ALA A 98 -2.150 -7.910 -14.681 1.00 0.00 C ATOM 1490 C ALA A 98 -1.527 -8.913 -13.709 1.00 0.00 C ATOM 1491 O ALA A 98 -0.812 -9.825 -14.124 1.00 0.00 O ATOM 1492 CB ALA A 98 -3.646 -8.194 -14.888 1.00 0.00 C ATOM 0 H ALA A 98 -1.679 -8.791 -16.512 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.037 -6.918 -14.244 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.158 -8.164 -13.926 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.071 -7.439 -15.549 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.771 -9.180 -15.335 1.00 0.00 H new ATOM 1498 N ALA A 99 -1.798 -8.722 -12.412 1.00 0.00 N ATOM 1499 CA ALA A 99 -1.348 -9.617 -11.342 1.00 0.00 C ATOM 1500 C ALA A 99 -2.394 -9.619 -10.222 1.00 0.00 C ATOM 1501 O ALA A 99 -2.816 -8.550 -9.755 1.00 0.00 O ATOM 1502 CB ALA A 99 0.023 -9.186 -10.806 1.00 0.00 C ATOM 0 H ALA A 99 -2.344 -7.930 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.239 -10.626 -11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.334 -9.866 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.754 -9.212 -11.614 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.043 -8.173 -10.409 1.00 0.00 H new ATOM 1508 N GLY A 100 -2.815 -10.821 -9.822 1.00 0.00 N ATOM 1509 CA GLY A 100 -3.822 -11.004 -8.784 1.00 0.00 C ATOM 1510 C GLY A 100 -3.934 -12.458 -8.363 1.00 0.00 C ATOM 1511 O GLY A 100 -3.531 -13.359 -9.115 1.00 0.00 O ATOM 0 H GLY A 100 -2.464 -11.695 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.568 -10.393 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.788 -10.655 -9.148 1.00 0.00 H new ATOM 1664 N ASP A 111 -5.484 -7.374 -8.985 1.00 0.00 N ATOM 1665 CA ASP A 111 -5.312 -6.183 -8.134 1.00 0.00 C ATOM 1666 C ASP A 111 -4.533 -5.103 -8.900 1.00 0.00 C ATOM 1667 O ASP A 111 -4.900 -3.923 -8.892 1.00 0.00 O ATOM 1668 CB ASP A 111 -4.581 -6.551 -6.817 1.00 0.00 C ATOM 1669 CG ASP A 111 -4.585 -5.396 -5.797 1.00 0.00 C ATOM 1670 OD1 ASP A 111 -5.507 -5.332 -4.962 1.00 0.00 O ATOM 1671 OD2 ASP A 111 -3.687 -4.529 -5.837 1.00 0.00 O ATOM 0 HA ASP A 111 -6.296 -5.792 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.057 -7.425 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.551 -6.829 -7.042 1.00 0.00 H new ATOM 1676 N TYR A 112 -3.469 -5.537 -9.580 1.00 0.00 N ATOM 1677 CA TYR A 112 -2.593 -4.656 -10.362 1.00 0.00 C ATOM 1678 C TYR A 112 -2.730 -4.959 -11.855 1.00 0.00 C ATOM 1679 O TYR A 112 -3.074 -6.077 -12.241 1.00 0.00 O ATOM 1680 CB TYR A 112 -1.115 -4.834 -9.915 1.00 0.00 C ATOM 1681 CG TYR A 112 -0.859 -4.375 -8.474 1.00 0.00 C ATOM 1682 CD1 TYR A 112 -0.829 -3.015 -8.160 1.00 0.00 C ATOM 1683 CD2 TYR A 112 -0.669 -5.288 -7.433 1.00 0.00 C ATOM 1684 CE1 TYR A 112 -0.625 -2.583 -6.869 1.00 0.00 C ATOM 1685 CE2 TYR A 112 -0.456 -4.856 -6.136 1.00 0.00 C ATOM 1686 CZ TYR A 112 -0.440 -3.504 -5.861 1.00 0.00 C ATOM 1687 OH TYR A 112 -0.243 -3.066 -4.568 1.00 0.00 O ATOM 0 H TYR A 112 -3.188 -6.517 -9.605 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.892 -3.623 -10.186 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.838 -5.884 -10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.468 -4.272 -10.589 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -0.969 -2.287 -8.946 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -0.689 -6.347 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.610 -1.526 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -0.303 -5.573 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.083 -3.136 -4.068 1.00 0.00 H new ATOM 1697 N TRP A 113 -2.515 -3.918 -12.664 1.00 0.00 N ATOM 1698 CA TRP A 113 -2.267 -4.019 -14.111 1.00 0.00 C ATOM 1699 C TRP A 113 -1.554 -2.749 -14.565 1.00 0.00 C ATOM 1700 O TRP A 113 -1.719 -1.681 -13.949 1.00 0.00 O ATOM 1701 CB TRP A 113 -3.557 -4.283 -14.956 1.00 0.00 C ATOM 1702 CG TRP A 113 -4.688 -3.290 -14.775 1.00 0.00 C ATOM 1703 CD1 TRP A 113 -4.798 -2.042 -15.326 1.00 0.00 C ATOM 1704 CD2 TRP A 113 -5.885 -3.491 -14.017 1.00 0.00 C ATOM 1705 NE1 TRP A 113 -5.965 -1.452 -14.925 1.00 0.00 N ATOM 1706 CE2 TRP A 113 -6.651 -2.321 -14.126 1.00 0.00 C ATOM 1707 CE3 TRP A 113 -6.374 -4.548 -13.247 1.00 0.00 C ATOM 1708 CZ2 TRP A 113 -7.880 -2.175 -13.497 1.00 0.00 C ATOM 1709 CZ3 TRP A 113 -7.599 -4.402 -12.627 1.00 0.00 C ATOM 1710 CH2 TRP A 113 -8.339 -3.224 -12.752 1.00 0.00 C ATOM 0 H TRP A 113 -2.508 -2.956 -12.325 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.640 -4.893 -14.285 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.279 -4.298 -16.010 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.931 -5.277 -14.710 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.069 -1.589 -15.982 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.273 -0.514 -15.181 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.806 -5.460 -13.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.453 -1.264 -13.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.993 -5.214 -12.034 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.292 -3.141 -12.250 1.00 0.00 H new ATOM 1721 N GLY A 114 -0.757 -2.867 -15.628 1.00 0.00 N ATOM 1722 CA GLY A 114 -0.061 -1.718 -16.188 1.00 0.00 C ATOM 1723 C GLY A 114 -0.953 -0.856 -17.072 1.00 0.00 C ATOM 1724 O GLY A 114 -2.186 -0.982 -17.045 1.00 0.00 O ATOM 0 H GLY A 114 -0.581 -3.746 -16.114 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.335 -1.108 -15.376 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.792 -2.065 -16.771 1.00 0.00 H new ATOM 1728 N GLN A 115 -0.314 -0.005 -17.883 1.00 0.00 N ATOM 1729 CA GLN A 115 -0.997 0.974 -18.750 1.00 0.00 C ATOM 1730 C GLN A 115 -1.798 0.245 -19.843 1.00 0.00 C ATOM 1731 O GLN A 115 -2.919 0.639 -20.184 1.00 0.00 O ATOM 1732 CB GLN A 115 0.034 1.951 -19.399 1.00 0.00 C ATOM 1733 CG GLN A 115 0.827 2.866 -18.420 1.00 0.00 C ATOM 1734 CD GLN A 115 1.861 2.137 -17.542 1.00 0.00 C ATOM 1735 OE1 GLN A 115 3.019 1.980 -17.931 1.00 0.00 O ATOM 1736 NE2 GLN A 115 1.449 1.676 -16.365 1.00 0.00 N ATOM 0 H GLN A 115 0.703 0.027 -17.960 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.684 1.557 -18.137 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.750 1.362 -19.972 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.496 2.587 -20.108 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.341 3.633 -18.999 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.118 3.379 -17.770 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.484 1.821 -16.070 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.098 1.177 -15.757 1.00 0.00 H new ATOM 1745 N GLY A 116 -1.208 -0.845 -20.345 1.00 0.00 N ATOM 1746 CA GLY A 116 -1.790 -1.649 -21.410 1.00 0.00 C ATOM 1747 C GLY A 116 -1.172 -1.333 -22.761 1.00 0.00 C ATOM 1748 O GLY A 116 -1.101 -0.162 -23.155 1.00 0.00 O ATOM 0 H GLY A 116 -0.306 -1.192 -20.017 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.649 -2.706 -21.185 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.865 -1.472 -21.452 1.00 0.00 H new ATOM 1752 N THR A 117 -0.767 -2.378 -23.492 1.00 0.00 N ATOM 1753 CA THR A 117 -0.149 -2.254 -24.817 1.00 0.00 C ATOM 1754 C THR A 117 -1.211 -2.536 -25.909 1.00 0.00 C ATOM 1755 O THR A 117 -1.686 -3.669 -26.075 1.00 0.00 O ATOM 1756 CB THR A 117 1.100 -3.200 -24.952 1.00 0.00 C ATOM 1757 OG1 THR A 117 1.617 -3.163 -26.288 1.00 0.00 O ATOM 1758 CG2 THR A 117 0.796 -4.657 -24.542 1.00 0.00 C ATOM 0 H THR A 117 -0.860 -3.344 -23.177 1.00 0.00 H new ATOM 0 HA THR A 117 0.218 -1.236 -24.949 1.00 0.00 H new ATOM 0 HB THR A 117 1.852 -2.823 -24.259 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.440 -4.019 -26.731 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.695 -5.262 -24.656 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.471 -4.682 -23.502 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.006 -5.057 -25.178 1.00 0.00 H new ATOM 1766 N GLN A 118 -1.618 -1.462 -26.608 1.00 0.00 N ATOM 1767 CA GLN A 118 -2.628 -1.517 -27.672 1.00 0.00 C ATOM 1768 C GLN A 118 -1.984 -2.036 -28.964 1.00 0.00 C ATOM 1769 O GLN A 118 -1.243 -1.310 -29.637 1.00 0.00 O ATOM 1770 CB GLN A 118 -3.264 -0.106 -27.872 1.00 0.00 C ATOM 1771 CG GLN A 118 -4.293 0.018 -29.025 1.00 0.00 C ATOM 1772 CD GLN A 118 -5.451 -0.982 -28.945 1.00 0.00 C ATOM 1773 OE1 GLN A 118 -6.464 -0.739 -28.288 1.00 0.00 O ATOM 1774 NE2 GLN A 118 -5.323 -2.107 -29.637 1.00 0.00 N ATOM 0 H GLN A 118 -1.250 -0.524 -26.447 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.426 -2.205 -27.392 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.753 0.186 -26.942 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.462 0.611 -28.049 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.700 1.029 -29.026 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.776 -0.118 -29.975 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.473 -2.282 -30.173 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.075 -2.796 -29.633 1.00 0.00 H new ATOM 1783 N VAL A 119 -2.240 -3.314 -29.274 1.00 0.00 N ATOM 1784 CA VAL A 119 -1.762 -3.955 -30.508 1.00 0.00 C ATOM 1785 C VAL A 119 -2.837 -3.797 -31.600 1.00 0.00 C ATOM 1786 O VAL A 119 -4.045 -3.948 -31.332 1.00 0.00 O ATOM 1787 CB VAL A 119 -1.404 -5.480 -30.276 1.00 0.00 C ATOM 1788 CG1 VAL A 119 -0.436 -5.649 -29.072 1.00 0.00 C ATOM 1789 CG2 VAL A 119 -2.671 -6.361 -30.106 1.00 0.00 C ATOM 0 H VAL A 119 -2.785 -3.934 -28.675 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.842 -3.465 -30.828 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.894 -5.829 -31.174 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.207 -6.706 -28.935 1.00 0.00 H new ATOM 0 HG12 VAL A 119 0.485 -5.100 -29.266 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.907 -5.260 -28.169 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.375 -7.398 -29.950 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.243 -6.013 -29.246 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.286 -6.291 -31.003 1.00 0.00 H new ATOM 1799 N THR A 120 -2.404 -3.469 -32.818 1.00 0.00 N ATOM 1800 CA THR A 120 -3.301 -3.266 -33.961 1.00 0.00 C ATOM 1801 C THR A 120 -2.921 -4.248 -35.072 1.00 0.00 C ATOM 1802 O THR A 120 -1.904 -4.067 -35.742 1.00 0.00 O ATOM 1803 CB THR A 120 -3.209 -1.789 -34.478 1.00 0.00 C ATOM 1804 OG1 THR A 120 -3.374 -0.886 -33.374 1.00 0.00 O ATOM 1805 CG2 THR A 120 -4.270 -1.478 -35.556 1.00 0.00 C ATOM 0 H THR A 120 -1.418 -3.336 -33.042 1.00 0.00 H new ATOM 0 HA THR A 120 -4.330 -3.448 -33.651 1.00 0.00 H new ATOM 0 HB THR A 120 -2.228 -1.661 -34.935 1.00 0.00 H new ATOM 0 HG1 THR A 120 -3.315 0.038 -33.695 1.00 0.00 H new ATOM 0 HG21 THR A 120 -4.165 -0.443 -35.882 1.00 0.00 H new ATOM 0 HG22 THR A 120 -4.129 -2.143 -36.408 1.00 0.00 H new ATOM 0 HG23 THR A 120 -5.266 -1.628 -35.140 1.00 0.00 H new ATOM 1813 N VAL A 121 -3.727 -5.304 -35.247 1.00 0.00 N ATOM 1814 CA VAL A 121 -3.509 -6.292 -36.313 1.00 0.00 C ATOM 1815 C VAL A 121 -4.464 -5.997 -37.485 1.00 0.00 C ATOM 1816 O VAL A 121 -5.692 -6.014 -37.326 1.00 0.00 O ATOM 1817 CB VAL A 121 -3.620 -7.779 -35.791 1.00 0.00 C ATOM 1818 CG1 VAL A 121 -4.917 -8.029 -35.008 1.00 0.00 C ATOM 1819 CG2 VAL A 121 -3.443 -8.803 -36.940 1.00 0.00 C ATOM 0 H VAL A 121 -4.540 -5.497 -34.661 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.485 -6.197 -36.673 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.798 -7.925 -35.091 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.945 -9.065 -34.671 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.954 -7.366 -34.144 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.774 -7.834 -35.652 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.526 -9.814 -36.542 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.217 -8.644 -37.691 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.462 -8.672 -37.396 1.00 0.00 H new ATOM 1829 N SER A 122 -3.861 -5.673 -38.648 1.00 0.00 N ATOM 1830 CA SER A 122 -4.579 -5.286 -39.870 1.00 0.00 C ATOM 1831 C SER A 122 -5.480 -6.432 -40.367 1.00 0.00 C ATOM 1832 O SER A 122 -5.099 -7.613 -40.314 1.00 0.00 O ATOM 1833 CB SER A 122 -3.576 -4.864 -40.976 1.00 0.00 C ATOM 1834 OG SER A 122 -4.232 -4.440 -42.167 1.00 0.00 O ATOM 0 H SER A 122 -2.847 -5.674 -38.761 1.00 0.00 H new ATOM 0 HA SER A 122 -5.216 -4.434 -39.634 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.946 -4.056 -40.603 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.917 -5.702 -41.205 1.00 0.00 H new ATOM 0 HG SER A 122 -3.563 -4.182 -42.835 1.00 0.00 H new ATOM 1840 N SER A 123 -6.672 -6.060 -40.851 1.00 0.00 N ATOM 1841 CA SER A 123 -7.693 -7.003 -41.284 1.00 0.00 C ATOM 1842 C SER A 123 -7.344 -7.618 -42.648 1.00 0.00 C ATOM 1843 O SER A 123 -7.381 -6.938 -43.683 1.00 0.00 O ATOM 1844 CB SER A 123 -9.067 -6.300 -41.302 1.00 0.00 C ATOM 1845 OG SER A 123 -9.032 -5.123 -42.090 1.00 0.00 O ATOM 0 H SER A 123 -6.951 -5.084 -40.951 1.00 0.00 H new ATOM 0 HA SER A 123 -7.738 -7.830 -40.576 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.822 -6.981 -41.695 1.00 0.00 H new ATOM 0 HB3 SER A 123 -9.363 -6.050 -40.283 1.00 0.00 H new ATOM 0 HG SER A 123 -8.473 -5.275 -42.880 1.00 0.00 H new