USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 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 70 GLN : amide:sc= -2.89! C(o=-2.6!,f=-6!) USER MOD Set 1.2: A 74 THR OG1 : rot 74:sc= 0.326 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-1.9!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= -0.504 (180deg=-2.11!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 8.998 8.332 -16.956 1.00 1.00 N ATOM 47 CA GLU A 4 7.641 8.334 -16.423 1.00 1.00 C ATOM 48 C GLU A 4 6.620 8.209 -17.550 1.00 1.00 C ATOM 49 O GLU A 4 5.542 7.645 -17.364 1.00 1.00 O ATOM 50 CB GLU A 4 7.387 9.626 -15.644 1.00 1.00 C ATOM 51 CG GLU A 4 8.533 9.861 -14.658 1.00 1.00 C ATOM 52 CD GLU A 4 8.125 10.904 -13.623 1.00 1.00 C ATOM 53 OE1 GLU A 4 7.230 11.680 -13.913 1.00 1.00 O ATOM 54 OE2 GLU A 4 8.716 10.912 -12.555 1.00 1.00 O ATOM 0 HA GLU A 4 7.534 7.479 -15.755 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.306 10.468 -16.332 1.00 1.00 H new ATOM 0 HB3 GLU A 4 6.440 9.560 -15.108 1.00 1.00 H new ATOM 0 HG2 GLU A 4 8.794 8.926 -14.161 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.421 10.196 -15.193 1.00 1.00 H new ATOM 61 N LEU A 5 6.969 8.737 -18.719 1.00 1.00 N ATOM 62 CA LEU A 5 6.075 8.677 -19.870 1.00 1.00 C ATOM 63 C LEU A 5 5.670 7.235 -20.157 1.00 1.00 C ATOM 64 O LEU A 5 4.492 6.939 -20.353 1.00 1.00 O ATOM 65 CB LEU A 5 6.765 9.271 -21.099 1.00 1.00 C ATOM 66 CG LEU A 5 5.859 10.328 -21.732 1.00 1.00 C ATOM 67 CD1 LEU A 5 6.546 10.918 -22.964 1.00 1.00 C ATOM 68 CD2 LEU A 5 4.536 9.683 -22.148 1.00 1.00 C ATOM 0 H LEU A 5 7.857 9.208 -18.894 1.00 1.00 H new ATOM 0 HA LEU A 5 5.180 9.256 -19.643 1.00 1.00 H new ATOM 0 HB2 LEU A 5 7.718 9.717 -20.814 1.00 1.00 H new ATOM 0 HB3 LEU A 5 6.984 8.485 -21.822 1.00 1.00 H new ATOM 0 HG LEU A 5 5.666 11.120 -21.009 1.00 1.00 H new ATOM 0 HD11 LEU A 5 5.900 11.671 -23.415 1.00 1.00 H new ATOM 0 HD12 LEU A 5 7.489 11.378 -22.669 1.00 1.00 H new ATOM 0 HD13 LEU A 5 6.739 10.126 -23.687 1.00 1.00 H new ATOM 0 HD21 LEU A 5 3.890 10.436 -22.599 1.00 1.00 H new ATOM 0 HD22 LEU A 5 4.729 8.890 -22.871 1.00 1.00 H new ATOM 0 HD23 LEU A 5 4.045 9.262 -21.271 1.00 1.00 H new ATOM 80 N GLN A 6 6.654 6.342 -20.182 1.00 1.00 N ATOM 81 CA GLN A 6 6.387 4.933 -20.445 1.00 1.00 C ATOM 82 C GLN A 6 5.542 4.332 -19.326 1.00 1.00 C ATOM 83 O GLN A 6 4.505 3.719 -19.578 1.00 1.00 O ATOM 84 CB GLN A 6 7.705 4.164 -20.562 1.00 1.00 C ATOM 85 CG GLN A 6 8.517 4.720 -21.734 1.00 1.00 C ATOM 86 CD GLN A 6 8.427 3.775 -22.926 1.00 1.00 C ATOM 87 OE1 GLN A 6 8.959 2.665 -22.881 1.00 1.00 O ATOM 88 NE2 GLN A 6 7.783 4.149 -23.998 1.00 1.00 N ATOM 0 H GLN A 6 7.636 6.567 -20.025 1.00 1.00 H new ATOM 0 HA GLN A 6 5.838 4.855 -21.383 1.00 1.00 H new ATOM 0 HB2 GLN A 6 8.274 4.253 -19.637 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.507 3.103 -20.714 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.142 5.705 -22.012 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.558 4.847 -21.438 1.00 1.00 H new ATOM 0 HE21 GLN A 6 7.343 5.068 -24.034 1.00 1.00 H new ATOM 0 HE22 GLN A 6 7.720 3.522 -24.800 1.00 1.00 H new ATOM 97 N CYS A 7 5.994 4.513 -18.089 1.00 1.00 N ATOM 98 CA CYS A 7 5.270 3.986 -16.937 1.00 1.00 C ATOM 99 C CYS A 7 3.854 4.553 -16.891 1.00 1.00 C ATOM 100 O CYS A 7 2.918 3.880 -16.459 1.00 1.00 O ATOM 101 CB CYS A 7 6.007 4.346 -15.647 1.00 1.00 C ATOM 102 SG CYS A 7 5.056 5.590 -14.738 1.00 1.00 S ATOM 0 H CYS A 7 6.851 5.016 -17.859 1.00 1.00 H new ATOM 0 HA CYS A 7 5.214 2.902 -17.032 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.143 3.456 -15.033 1.00 1.00 H new ATOM 0 HB3 CYS A 7 7.001 4.729 -15.878 1.00 1.00 H new ATOM 0 HG CYS A 7 5.680 5.896 -13.639 1.00 1.00 H new ATOM 107 N ILE A 8 3.707 5.793 -17.344 1.00 1.00 N ATOM 108 CA ILE A 8 2.401 6.442 -17.356 1.00 1.00 C ATOM 109 C ILE A 8 1.502 5.814 -18.416 1.00 1.00 C ATOM 110 O ILE A 8 0.308 5.615 -18.192 1.00 1.00 O ATOM 111 CB ILE A 8 2.563 7.937 -17.640 1.00 1.00 C ATOM 112 CG1 ILE A 8 2.974 8.657 -16.353 1.00 1.00 C ATOM 113 CG2 ILE A 8 1.237 8.509 -18.141 1.00 1.00 C ATOM 114 CD1 ILE A 8 3.456 10.069 -16.689 1.00 1.00 C ATOM 0 H ILE A 8 4.470 6.366 -17.705 1.00 1.00 H new ATOM 0 HA ILE A 8 1.939 6.307 -16.378 1.00 1.00 H new ATOM 0 HB ILE A 8 3.330 8.081 -18.400 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.130 8.704 -15.665 1.00 1.00 H new ATOM 0 HG13 ILE A 8 3.765 8.101 -15.850 1.00 1.00 H new ATOM 0 HG21 ILE A 8 1.353 9.574 -18.343 1.00 1.00 H new ATOM 0 HG22 ILE A 8 0.942 7.996 -19.056 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.469 8.366 -17.381 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.749 10.581 -15.772 1.00 1.00 H new ATOM 0 HD12 ILE A 8 4.312 10.011 -17.361 1.00 1.00 H new ATOM 0 HD13 ILE A 8 2.651 10.623 -17.173 1.00 1.00 H new ATOM 126 N ARG A 9 2.085 5.509 -19.571 1.00 1.00 N ATOM 127 CA ARG A 9 1.330 4.906 -20.663 1.00 1.00 C ATOM 128 C ARG A 9 0.850 3.511 -20.283 1.00 1.00 C ATOM 129 O ARG A 9 -0.231 3.084 -20.687 1.00 1.00 O ATOM 130 CB ARG A 9 2.205 4.822 -21.916 1.00 1.00 C ATOM 131 CG ARG A 9 1.332 4.493 -23.129 1.00 1.00 C ATOM 132 CD ARG A 9 2.204 4.441 -24.385 1.00 1.00 C ATOM 133 NE ARG A 9 1.915 5.582 -25.247 1.00 1.00 N ATOM 134 CZ ARG A 9 0.861 5.582 -26.056 1.00 1.00 C ATOM 135 NH1 ARG A 9 0.064 4.549 -26.092 1.00 1.00 N ATOM 136 NH2 ARG A 9 0.623 6.616 -26.817 1.00 1.00 N ATOM 0 H ARG A 9 3.072 5.668 -19.774 1.00 1.00 H new ATOM 0 HA ARG A 9 0.460 5.531 -20.865 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.724 5.768 -22.074 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.970 4.056 -21.787 1.00 1.00 H new ATOM 0 HG2 ARG A 9 0.831 3.536 -22.981 1.00 1.00 H new ATOM 0 HG3 ARG A 9 0.553 5.246 -23.245 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.258 4.445 -24.105 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.021 3.512 -24.925 1.00 1.00 H new ATOM 0 HE ARG A 9 2.533 6.394 -25.228 1.00 1.00 H new ATOM 0 HH11 ARG A 9 0.250 3.740 -25.499 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -0.745 4.550 -26.713 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.246 7.423 -26.790 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -0.186 6.617 -27.438 1.00 1.00 H new ATOM 150 N GLU A 10 1.662 2.803 -19.504 1.00 1.00 N ATOM 151 CA GLU A 10 1.307 1.453 -19.078 1.00 1.00 C ATOM 152 C GLU A 10 0.131 1.489 -18.106 1.00 1.00 C ATOM 153 O GLU A 10 -0.715 0.595 -18.111 1.00 1.00 O ATOM 154 CB GLU A 10 2.509 0.784 -18.407 1.00 1.00 C ATOM 155 CG GLU A 10 3.473 0.272 -19.479 1.00 1.00 C ATOM 156 CD GLU A 10 4.663 -0.422 -18.824 1.00 1.00 C ATOM 157 OE1 GLU A 10 4.475 -1.501 -18.289 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.749 0.133 -18.875 1.00 1.00 O ATOM 0 H GLU A 10 2.561 3.137 -19.158 1.00 1.00 H new ATOM 0 HA GLU A 10 1.017 0.879 -19.958 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.017 1.495 -17.755 1.00 1.00 H new ATOM 0 HB3 GLU A 10 2.175 -0.042 -17.779 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.957 -0.422 -20.142 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.820 1.102 -20.094 1.00 1.00 H new ATOM 165 N CYS A 11 0.085 2.525 -17.278 1.00 1.00 N ATOM 166 CA CYS A 11 -0.995 2.664 -16.305 1.00 1.00 C ATOM 167 C CYS A 11 -2.223 3.295 -16.952 1.00 1.00 C ATOM 168 O CYS A 11 -3.357 2.978 -16.592 1.00 1.00 O ATOM 169 CB CYS A 11 -0.532 3.533 -15.133 1.00 1.00 C ATOM 170 SG CYS A 11 -1.347 2.980 -13.615 1.00 1.00 S ATOM 0 H CYS A 11 0.775 3.276 -17.259 1.00 1.00 H new ATOM 0 HA CYS A 11 -1.260 1.671 -15.941 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.550 3.467 -15.022 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.769 4.579 -15.326 1.00 1.00 H new ATOM 0 HG CYS A 11 -0.953 3.716 -12.618 1.00 1.00 H new ATOM 175 N ARG A 12 -1.990 4.190 -17.906 1.00 1.00 N ATOM 176 CA ARG A 12 -3.088 4.859 -18.595 1.00 1.00 C ATOM 177 C ARG A 12 -4.029 3.839 -19.226 1.00 1.00 C ATOM 178 O ARG A 12 -5.240 4.049 -19.279 1.00 1.00 O ATOM 179 CB ARG A 12 -2.535 5.786 -19.680 1.00 1.00 C ATOM 180 CG ARG A 12 -3.636 6.741 -20.145 1.00 1.00 C ATOM 181 CD ARG A 12 -3.369 7.162 -21.591 1.00 1.00 C ATOM 182 NE ARG A 12 -2.026 7.717 -21.715 1.00 1.00 N ATOM 183 CZ ARG A 12 -1.540 8.082 -22.898 1.00 1.00 C ATOM 184 NH1 ARG A 12 -2.268 7.948 -23.971 1.00 1.00 N ATOM 185 NH2 ARG A 12 -0.333 8.573 -22.984 1.00 1.00 N ATOM 0 H ARG A 12 -1.059 4.467 -18.218 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.646 5.445 -17.865 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -1.688 6.352 -19.293 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -2.168 5.199 -20.522 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.609 6.255 -20.070 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -3.667 7.619 -19.499 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -3.478 6.303 -22.253 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -4.106 7.901 -21.904 1.00 1.00 H new ATOM 0 HE ARG A 12 -1.450 7.827 -20.881 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -3.210 7.563 -23.903 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -1.895 8.228 -24.878 1.00 1.00 H new ATOM 0 HH21 ARG A 12 0.237 8.676 -22.144 1.00 1.00 H new ATOM 0 HH22 ARG A 12 0.040 8.853 -23.891 1.00 1.00 H new ATOM 199 N LEU A 13 -3.463 2.735 -19.704 1.00 1.00 N ATOM 200 CA LEU A 13 -4.266 1.690 -20.330 1.00 1.00 C ATOM 201 C LEU A 13 -5.139 0.988 -19.296 1.00 1.00 C ATOM 202 O LEU A 13 -6.349 0.858 -19.476 1.00 1.00 O ATOM 203 CB LEU A 13 -3.351 0.667 -21.007 1.00 1.00 C ATOM 204 CG LEU A 13 -4.040 0.106 -22.251 1.00 1.00 C ATOM 205 CD1 LEU A 13 -3.148 -0.960 -22.890 1.00 1.00 C ATOM 206 CD2 LEU A 13 -5.378 -0.525 -21.855 1.00 1.00 C ATOM 0 H LEU A 13 -2.462 2.542 -19.671 1.00 1.00 H new ATOM 0 HA LEU A 13 -4.912 2.153 -21.076 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.406 1.135 -21.282 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.116 -0.141 -20.314 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.214 0.913 -22.963 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.638 -1.361 -23.777 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.194 -0.515 -23.173 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.975 -1.765 -22.176 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -5.869 -0.925 -22.742 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -5.203 -1.331 -21.143 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -6.016 0.231 -21.398 1.00 1.00 H new ATOM 218 N ALA A 14 -4.516 0.532 -18.213 1.00 1.00 N ATOM 219 CA ALA A 14 -5.249 -0.159 -17.160 1.00 1.00 C ATOM 220 C ALA A 14 -6.237 0.785 -16.483 1.00 1.00 C ATOM 221 O ALA A 14 -7.318 0.371 -16.063 1.00 1.00 O ATOM 222 CB ALA A 14 -4.272 -0.710 -16.120 1.00 1.00 C ATOM 0 H ALA A 14 -3.515 0.628 -18.043 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.804 -0.982 -17.611 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.827 -1.225 -15.336 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.587 -1.410 -16.599 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.705 0.112 -15.683 1.00 1.00 H new ATOM 228 N GLN A 15 -5.860 2.056 -16.379 1.00 1.00 N ATOM 229 CA GLN A 15 -6.723 3.048 -15.748 1.00 1.00 C ATOM 230 C GLN A 15 -7.957 3.310 -16.606 1.00 1.00 C ATOM 231 O GLN A 15 -8.985 3.768 -16.107 1.00 1.00 O ATOM 232 CB GLN A 15 -5.953 4.355 -15.546 1.00 1.00 C ATOM 233 CG GLN A 15 -6.614 5.171 -14.434 1.00 1.00 C ATOM 234 CD GLN A 15 -5.996 4.811 -13.087 1.00 1.00 C ATOM 235 OE1 GLN A 15 -5.763 3.636 -12.803 1.00 1.00 O ATOM 236 NE2 GLN A 15 -5.713 5.758 -12.235 1.00 1.00 N ATOM 0 H GLN A 15 -4.971 2.421 -16.720 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.044 2.661 -14.781 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.916 4.142 -15.288 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.939 4.928 -16.473 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -6.488 6.236 -14.629 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -7.686 4.975 -14.416 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -5.906 6.731 -12.471 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -5.298 5.525 -11.333 1.00 1.00 H new ATOM 598 N ALA A 45 6.835 -10.775 -5.640 1.00 1.00 N ATOM 599 CA ALA A 45 8.273 -10.738 -5.877 1.00 1.00 C ATOM 600 C ALA A 45 8.911 -9.517 -5.218 1.00 1.00 C ATOM 601 O ALA A 45 10.085 -9.548 -4.855 1.00 1.00 O ATOM 602 CB ALA A 45 8.549 -10.709 -7.382 1.00 1.00 C ATOM 0 HA ALA A 45 8.712 -11.634 -5.437 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.625 -10.681 -7.554 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.130 -11.602 -7.846 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.089 -9.823 -7.819 1.00 1.00 H new ATOM 608 N ILE A 46 8.132 -8.442 -5.073 1.00 1.00 N ATOM 609 CA ILE A 46 8.643 -7.216 -4.460 1.00 1.00 C ATOM 610 C ILE A 46 7.919 -6.910 -3.152 1.00 1.00 C ATOM 611 O ILE A 46 8.467 -6.249 -2.270 1.00 1.00 O ATOM 612 CB ILE A 46 8.463 -6.042 -5.426 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.070 -6.106 -6.055 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.524 -6.118 -6.526 1.00 1.00 C ATOM 615 CD1 ILE A 46 6.786 -4.804 -6.806 1.00 1.00 C ATOM 0 H ILE A 46 7.157 -8.396 -5.368 1.00 1.00 H new ATOM 0 HA ILE A 46 9.701 -7.361 -4.243 1.00 1.00 H new ATOM 0 HB ILE A 46 8.572 -5.104 -4.881 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.007 -6.953 -6.738 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.318 -6.263 -5.282 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.396 -5.282 -7.214 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.517 -6.070 -6.078 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.417 -7.056 -7.071 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.793 -4.851 -7.254 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.831 -3.966 -6.111 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.531 -4.666 -7.590 1.00 1.00 H new ATOM 627 N ALA A 47 6.688 -7.397 -3.028 1.00 1.00 N ATOM 628 CA ALA A 47 5.905 -7.169 -1.818 1.00 1.00 C ATOM 629 C ALA A 47 6.551 -7.863 -0.624 1.00 1.00 C ATOM 630 O ALA A 47 6.392 -7.434 0.519 1.00 1.00 O ATOM 631 CB ALA A 47 4.481 -7.694 -2.009 1.00 1.00 C ATOM 0 H ALA A 47 6.214 -7.948 -3.744 1.00 1.00 H new ATOM 0 HA ALA A 47 5.872 -6.097 -1.626 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.904 -7.520 -1.101 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.010 -7.174 -2.843 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.512 -8.763 -2.219 1.00 1.00 H new ATOM 637 N ASN A 48 7.283 -8.937 -0.899 1.00 1.00 N ATOM 638 CA ASN A 48 7.952 -9.683 0.158 1.00 1.00 C ATOM 639 C ASN A 48 9.273 -9.016 0.510 1.00 1.00 C ATOM 640 O ASN A 48 9.949 -9.409 1.461 1.00 1.00 O ATOM 641 CB ASN A 48 8.206 -11.122 -0.296 1.00 1.00 C ATOM 642 CG ASN A 48 8.057 -12.077 0.883 1.00 1.00 C ATOM 643 OD1 ASN A 48 8.982 -12.228 1.680 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.943 -12.737 1.039 1.00 1.00 N ATOM 0 H ASN A 48 7.427 -9.308 -1.838 1.00 1.00 H new ATOM 0 HA ASN A 48 7.311 -9.694 1.040 1.00 1.00 H new ATOM 0 HB2 ASN A 48 7.503 -11.392 -1.084 1.00 1.00 H new ATOM 0 HB3 ASN A 48 9.207 -11.207 -0.719 1.00 1.00 H new ATOM 0 HD21 ASN A 48 6.837 -13.380 1.823 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.178 -12.610 0.377 1.00 1.00 H new ATOM 651 N PHE A 49 9.631 -8.000 -0.266 1.00 1.00 N ATOM 652 CA PHE A 49 10.871 -7.275 -0.035 1.00 1.00 C ATOM 653 C PHE A 49 10.602 -6.005 0.765 1.00 1.00 C ATOM 654 O PHE A 49 11.498 -5.189 0.975 1.00 1.00 O ATOM 655 CB PHE A 49 11.519 -6.916 -1.374 1.00 1.00 C ATOM 656 CG PHE A 49 12.764 -7.747 -1.565 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.682 -9.145 -1.510 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.998 -7.128 -1.795 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.834 -9.921 -1.685 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.150 -7.904 -1.969 1.00 1.00 C ATOM 661 CZ PHE A 49 15.068 -9.302 -1.915 1.00 1.00 C ATOM 0 H PHE A 49 9.082 -7.662 -1.057 1.00 1.00 H new ATOM 0 HA PHE A 49 11.548 -7.912 0.535 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.819 -7.096 -2.190 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.769 -5.855 -1.397 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.730 -9.624 -1.333 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.061 -6.051 -1.838 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.770 -10.998 -1.642 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.102 -7.425 -2.145 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.956 -9.901 -2.051 1.00 1.00 H new ATOM 671 N LEU A 50 9.359 -5.854 1.216 1.00 1.00 N ATOM 672 CA LEU A 50 8.966 -4.688 2.003 1.00 1.00 C ATOM 673 C LEU A 50 8.316 -5.139 3.312 1.00 1.00 C ATOM 674 O LEU A 50 7.143 -5.509 3.339 1.00 1.00 O ATOM 675 CB LEU A 50 7.981 -3.822 1.205 1.00 1.00 C ATOM 676 CG LEU A 50 8.741 -2.901 0.239 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.026 -2.873 -1.114 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.780 -1.483 0.815 1.00 1.00 C ATOM 0 H LEU A 50 8.608 -6.524 1.050 1.00 1.00 H new ATOM 0 HA LEU A 50 9.855 -4.098 2.229 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.296 -4.460 0.647 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.376 -3.225 1.887 1.00 1.00 H new ATOM 0 HG LEU A 50 9.756 -3.275 0.108 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.567 -2.219 -1.798 1.00 1.00 H new ATOM 0 HD12 LEU A 50 7.990 -3.881 -1.528 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.011 -2.499 -0.981 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.319 -0.827 0.131 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.762 -1.115 0.944 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.287 -1.496 1.780 1.00 1.00 H new ATOM 690 N GLU A 51 9.094 -5.115 4.391 1.00 1.00 N ATOM 691 CA GLU A 51 8.598 -5.535 5.700 1.00 1.00 C ATOM 692 C GLU A 51 7.245 -4.882 6.011 1.00 1.00 C ATOM 693 O GLU A 51 6.954 -3.793 5.519 1.00 1.00 O ATOM 694 CB GLU A 51 9.613 -5.152 6.783 1.00 1.00 C ATOM 695 CG GLU A 51 10.666 -6.254 6.925 1.00 1.00 C ATOM 696 CD GLU A 51 10.233 -7.252 7.993 1.00 1.00 C ATOM 697 OE1 GLU A 51 9.983 -6.824 9.108 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.158 -8.430 7.683 1.00 1.00 O ATOM 0 H GLU A 51 10.067 -4.810 4.386 1.00 1.00 H new ATOM 0 HA GLU A 51 8.464 -6.617 5.685 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.094 -4.209 6.525 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.103 -5.000 7.734 1.00 1.00 H new ATOM 0 HG2 GLU A 51 10.801 -6.765 5.972 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.628 -5.817 7.192 1.00 1.00 H new ATOM 705 N PRO A 52 6.419 -5.524 6.811 1.00 1.00 N ATOM 706 CA PRO A 52 5.071 -4.987 7.182 1.00 1.00 C ATOM 707 C PRO A 52 5.155 -3.668 7.948 1.00 1.00 C ATOM 708 O PRO A 52 4.557 -2.668 7.547 1.00 1.00 O ATOM 709 CB PRO A 52 4.453 -6.085 8.054 1.00 1.00 C ATOM 710 CG PRO A 52 5.594 -6.922 8.523 1.00 1.00 C ATOM 711 CD PRO A 52 6.674 -6.826 7.450 1.00 1.00 C ATOM 0 HA PRO A 52 4.477 -4.759 6.297 1.00 1.00 H new ATOM 0 HB2 PRO A 52 3.910 -5.656 8.897 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.739 -6.681 7.485 1.00 1.00 H new ATOM 0 HG2 PRO A 52 5.968 -6.565 9.482 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.282 -7.956 8.668 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.673 -6.870 7.883 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.600 -7.644 6.734 1.00 1.00 H new ATOM 719 N GLN A 53 5.890 -3.672 9.057 1.00 1.00 N ATOM 720 CA GLN A 53 6.030 -2.466 9.867 1.00 1.00 C ATOM 721 C GLN A 53 6.669 -1.355 9.046 1.00 1.00 C ATOM 722 O GLN A 53 6.205 -0.215 9.049 1.00 1.00 O ATOM 723 CB GLN A 53 6.896 -2.759 11.097 1.00 1.00 C ATOM 724 CG GLN A 53 6.997 -1.501 11.962 1.00 1.00 C ATOM 725 CD GLN A 53 6.624 -1.829 13.404 1.00 1.00 C ATOM 726 OE1 GLN A 53 5.524 -1.502 13.851 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.479 -2.456 14.163 1.00 1.00 N ATOM 0 H GLN A 53 6.392 -4.486 9.412 1.00 1.00 H new ATOM 0 HA GLN A 53 5.040 -2.146 10.192 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.462 -3.576 11.674 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.890 -3.081 10.787 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.011 -1.102 11.921 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.334 -0.728 11.573 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.389 -2.726 13.791 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.237 -2.677 15.129 1.00 1.00 H new ATOM 736 N ALA A 54 7.733 -1.703 8.333 1.00 1.00 N ATOM 737 CA ALA A 54 8.427 -0.735 7.496 1.00 1.00 C ATOM 738 C ALA A 54 7.478 -0.189 6.439 1.00 1.00 C ATOM 739 O ALA A 54 7.621 0.947 5.983 1.00 1.00 O ATOM 740 CB ALA A 54 9.618 -1.401 6.810 1.00 1.00 C ATOM 0 H ALA A 54 8.131 -2.642 8.318 1.00 1.00 H new ATOM 0 HA ALA A 54 8.780 0.083 8.123 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.133 -0.671 6.185 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.306 -1.782 7.565 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.266 -2.226 6.190 1.00 1.00 H new ATOM 746 N LEU A 55 6.509 -1.012 6.052 1.00 1.00 N ATOM 747 CA LEU A 55 5.537 -0.606 5.042 1.00 1.00 C ATOM 748 C LEU A 55 4.747 0.606 5.522 1.00 1.00 C ATOM 749 O LEU A 55 4.396 1.483 4.733 1.00 1.00 O ATOM 750 CB LEU A 55 4.578 -1.759 4.733 1.00 1.00 C ATOM 751 CG LEU A 55 4.532 -1.992 3.220 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.580 -3.148 2.903 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.041 -0.723 2.519 1.00 1.00 C ATOM 0 H LEU A 55 6.376 -1.955 6.418 1.00 1.00 H new ATOM 0 HA LEU A 55 6.077 -0.340 4.133 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.906 -2.665 5.242 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.581 -1.527 5.107 1.00 1.00 H new ATOM 0 HG LEU A 55 5.533 -2.240 2.866 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.551 -3.310 1.826 1.00 1.00 H new ATOM 0 HD12 LEU A 55 3.931 -4.054 3.397 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.580 -2.904 3.261 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.009 -0.891 1.443 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.042 -0.473 2.877 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.721 0.100 2.738 1.00 1.00 H new ATOM 765 N GLU A 56 4.479 0.650 6.821 1.00 1.00 N ATOM 766 CA GLU A 56 3.737 1.762 7.399 1.00 1.00 C ATOM 767 C GLU A 56 4.568 3.040 7.343 1.00 1.00 C ATOM 768 O GLU A 56 4.033 4.132 7.153 1.00 1.00 O ATOM 769 CB GLU A 56 3.372 1.452 8.852 1.00 1.00 C ATOM 770 CG GLU A 56 2.155 2.282 9.260 1.00 1.00 C ATOM 771 CD GLU A 56 0.878 1.628 8.745 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.530 1.872 7.601 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.268 0.890 9.499 1.00 1.00 O ATOM 0 H GLU A 56 4.762 -0.066 7.490 1.00 1.00 H new ATOM 0 HA GLU A 56 2.824 1.906 6.821 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.155 0.390 8.965 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.215 1.677 9.506 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.114 2.372 10.345 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.243 3.292 8.859 1.00 1.00 H new ATOM 780 N ARG A 57 5.878 2.895 7.516 1.00 1.00 N ATOM 781 CA ARG A 57 6.774 4.043 7.490 1.00 1.00 C ATOM 782 C ARG A 57 6.675 4.782 6.159 1.00 1.00 C ATOM 783 O ARG A 57 6.405 5.983 6.128 1.00 1.00 O ATOM 784 CB ARG A 57 8.217 3.585 7.710 1.00 1.00 C ATOM 785 CG ARG A 57 8.760 4.204 9.000 1.00 1.00 C ATOM 786 CD ARG A 57 8.845 5.723 8.844 1.00 1.00 C ATOM 787 NE ARG A 57 8.116 6.380 9.922 1.00 1.00 N ATOM 788 CZ ARG A 57 8.497 6.250 11.189 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.552 5.538 11.482 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.818 6.833 12.138 1.00 1.00 N ATOM 0 H ARG A 57 6.339 1.999 7.675 1.00 1.00 H new ATOM 0 HA ARG A 57 6.478 4.722 8.290 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.259 2.497 7.771 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.836 3.881 6.863 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.111 3.950 9.838 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.745 3.796 9.225 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.888 6.039 8.855 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.431 6.021 7.881 1.00 1.00 H new ATOM 0 HE ARG A 57 7.299 6.949 9.700 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.082 5.083 10.739 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.846 5.437 12.454 1.00 1.00 H new ATOM 0 HH21 ARG A 57 6.994 7.389 11.908 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.111 6.733 13.110 1.00 1.00 H new ATOM 804 N LEU A 58 6.895 4.065 5.061 1.00 1.00 N ATOM 805 CA LEU A 58 6.824 4.687 3.742 1.00 1.00 C ATOM 806 C LEU A 58 5.435 5.281 3.519 1.00 1.00 C ATOM 807 O LEU A 58 5.276 6.294 2.841 1.00 1.00 O ATOM 808 CB LEU A 58 7.127 3.652 2.650 1.00 1.00 C ATOM 809 CG LEU A 58 7.246 4.346 1.286 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.433 5.316 1.282 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.460 3.291 0.197 1.00 1.00 C ATOM 0 H LEU A 58 7.120 3.070 5.056 1.00 1.00 H new ATOM 0 HA LEU A 58 7.567 5.483 3.691 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.054 3.127 2.882 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.336 2.903 2.618 1.00 1.00 H new ATOM 0 HG LEU A 58 6.329 4.903 1.094 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.504 5.800 0.308 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.287 6.072 2.053 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.353 4.766 1.482 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.545 3.781 -0.773 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.374 2.735 0.404 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.613 2.605 0.184 1.00 1.00 H new ATOM 823 N SER A 59 4.429 4.639 4.099 1.00 1.00 N ATOM 824 CA SER A 59 3.059 5.116 3.974 1.00 1.00 C ATOM 825 C SER A 59 2.885 6.453 4.696 1.00 1.00 C ATOM 826 O SER A 59 2.217 7.358 4.199 1.00 1.00 O ATOM 827 CB SER A 59 2.095 4.086 4.564 1.00 1.00 C ATOM 828 OG SER A 59 1.025 3.868 3.654 1.00 1.00 O ATOM 0 H SER A 59 4.535 3.792 4.657 1.00 1.00 H new ATOM 0 HA SER A 59 2.838 5.258 2.916 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.619 3.150 4.758 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.708 4.439 5.520 1.00 1.00 H new ATOM 0 HG SER A 59 0.406 3.207 4.029 1.00 1.00 H new ATOM 834 N ARG A 60 3.472 6.550 5.889 1.00 1.00 N ATOM 835 CA ARG A 60 3.363 7.758 6.707 1.00 1.00 C ATOM 836 C ARG A 60 4.074 8.960 6.083 1.00 1.00 C ATOM 837 O ARG A 60 3.524 10.060 6.053 1.00 1.00 O ATOM 838 CB ARG A 60 3.955 7.495 8.093 1.00 1.00 C ATOM 839 CG ARG A 60 3.730 8.720 8.985 1.00 1.00 C ATOM 840 CD ARG A 60 4.157 8.397 10.416 1.00 1.00 C ATOM 841 NE ARG A 60 3.057 7.781 11.147 1.00 1.00 N ATOM 842 CZ ARG A 60 3.148 7.539 12.449 1.00 1.00 C ATOM 843 NH1 ARG A 60 4.235 7.857 13.098 1.00 1.00 N ATOM 844 NH2 ARG A 60 2.151 6.981 13.080 1.00 1.00 N ATOM 0 H ARG A 60 4.028 5.806 6.311 1.00 1.00 H new ATOM 0 HA ARG A 60 2.303 8.000 6.777 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.488 6.617 8.539 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.021 7.283 8.011 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.301 9.568 8.607 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.679 9.009 8.965 1.00 1.00 H new ATOM 0 HD2 ARG A 60 5.015 7.725 10.403 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.473 9.309 10.923 1.00 1.00 H new ATOM 0 HE ARG A 60 2.202 7.531 10.649 1.00 1.00 H new ATOM 0 HH11 ARG A 60 5.015 8.292 12.605 1.00 1.00 H new ATOM 0 HH12 ARG A 60 4.305 7.671 14.098 1.00 1.00 H new ATOM 0 HH21 ARG A 60 1.302 6.731 12.573 1.00 1.00 H new ATOM 0 HH22 ARG A 60 2.221 6.795 14.080 1.00 1.00 H new ATOM 858 N VAL A 61 5.297 8.760 5.599 1.00 1.00 N ATOM 859 CA VAL A 61 6.050 9.860 5.003 1.00 1.00 C ATOM 860 C VAL A 61 5.403 10.310 3.697 1.00 1.00 C ATOM 861 O VAL A 61 5.307 11.505 3.419 1.00 1.00 O ATOM 862 CB VAL A 61 7.496 9.430 4.735 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.499 8.281 3.742 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.287 10.607 4.157 1.00 1.00 C ATOM 0 H VAL A 61 5.781 7.862 5.607 1.00 1.00 H new ATOM 0 HA VAL A 61 6.046 10.693 5.706 1.00 1.00 H new ATOM 0 HB VAL A 61 7.960 9.111 5.669 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.526 7.971 3.548 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.938 7.442 4.155 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.035 8.604 2.810 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.315 10.297 3.968 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.828 10.930 3.223 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.282 11.433 4.868 1.00 1.00 H new ATOM 874 N ALA A 62 4.971 9.346 2.894 1.00 1.00 N ATOM 875 CA ALA A 62 4.346 9.656 1.615 1.00 1.00 C ATOM 876 C ALA A 62 3.187 10.634 1.793 1.00 1.00 C ATOM 877 O ALA A 62 2.957 11.499 0.948 1.00 1.00 O ATOM 878 CB ALA A 62 3.832 8.371 0.961 1.00 1.00 C ATOM 0 H ALA A 62 5.041 8.350 3.103 1.00 1.00 H new ATOM 0 HA ALA A 62 5.097 10.120 0.975 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.366 8.610 0.005 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.665 7.688 0.797 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.098 7.899 1.614 1.00 1.00 H new ATOM 884 N LEU A 63 2.456 10.491 2.896 1.00 1.00 N ATOM 885 CA LEU A 63 1.320 11.365 3.168 1.00 1.00 C ATOM 886 C LEU A 63 1.772 12.814 3.276 1.00 1.00 C ATOM 887 O LEU A 63 0.965 13.735 3.154 1.00 1.00 O ATOM 888 CB LEU A 63 0.649 10.964 4.488 1.00 1.00 C ATOM 889 CG LEU A 63 -0.591 10.094 4.229 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.177 8.734 3.659 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.335 9.878 5.549 1.00 1.00 C ATOM 0 H LEU A 63 2.629 9.784 3.610 1.00 1.00 H new ATOM 0 HA LEU A 63 0.614 11.264 2.344 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.358 10.418 5.110 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.362 11.858 5.041 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.236 10.599 3.510 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.066 8.129 3.481 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.357 8.880 2.720 1.00 1.00 H new ATOM 0 HD13 LEU A 63 0.473 8.224 4.370 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.216 9.261 5.373 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -0.677 9.377 6.260 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.642 10.842 5.956 1.00 1.00 H new ATOM 903 N VAL A 64 3.063 13.005 3.529 1.00 1.00 N ATOM 904 CA VAL A 64 3.611 14.345 3.680 1.00 1.00 C ATOM 905 C VAL A 64 4.509 14.721 2.500 1.00 1.00 C ATOM 906 O VAL A 64 4.404 15.824 1.965 1.00 1.00 O ATOM 907 CB VAL A 64 4.399 14.424 4.985 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.037 15.715 5.718 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.039 13.229 5.871 1.00 1.00 C ATOM 0 H VAL A 64 3.744 12.253 3.633 1.00 1.00 H new ATOM 0 HA VAL A 64 2.784 15.054 3.703 1.00 1.00 H new ATOM 0 HB VAL A 64 5.466 14.411 4.765 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.599 15.774 6.650 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.285 16.571 5.091 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.969 15.722 5.937 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.601 13.285 6.803 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.971 13.247 6.090 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.288 12.303 5.352 1.00 1.00 H new ATOM 919 N ARG A 65 5.388 13.805 2.097 1.00 1.00 N ATOM 920 CA ARG A 65 6.291 14.071 0.975 1.00 1.00 C ATOM 921 C ARG A 65 6.382 12.860 0.051 1.00 1.00 C ATOM 922 O ARG A 65 7.314 12.060 0.140 1.00 1.00 O ATOM 923 CB ARG A 65 7.686 14.432 1.483 1.00 1.00 C ATOM 924 CG ARG A 65 7.580 15.357 2.696 1.00 1.00 C ATOM 925 CD ARG A 65 8.872 16.164 2.834 1.00 1.00 C ATOM 926 NE ARG A 65 8.796 17.377 2.028 1.00 1.00 N ATOM 927 CZ ARG A 65 8.035 18.402 2.399 1.00 1.00 C ATOM 928 NH1 ARG A 65 7.343 18.335 3.503 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.982 19.476 1.659 1.00 1.00 N ATOM 0 H ARG A 65 5.495 12.884 2.523 1.00 1.00 H new ATOM 0 HA ARG A 65 5.885 14.913 0.413 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.229 13.526 1.753 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.255 14.921 0.692 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.729 16.029 2.582 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.405 14.772 3.599 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.038 16.423 3.880 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.722 15.560 2.517 1.00 1.00 H new ATOM 0 HE ARG A 65 9.336 17.440 1.165 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.386 17.496 4.082 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.759 19.122 3.787 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.524 19.528 0.797 1.00 1.00 H new ATOM 0 HH22 ARG A 65 7.398 20.263 1.943 1.00 1.00 H new ATOM 943 N ARG A 66 5.405 12.744 -0.840 1.00 1.00 N ATOM 944 CA ARG A 66 5.357 11.645 -1.798 1.00 1.00 C ATOM 945 C ARG A 66 6.587 11.639 -2.703 1.00 1.00 C ATOM 946 O ARG A 66 7.019 10.585 -3.171 1.00 1.00 O ATOM 947 CB ARG A 66 4.096 11.763 -2.655 1.00 1.00 C ATOM 948 CG ARG A 66 4.076 13.126 -3.350 1.00 1.00 C ATOM 949 CD ARG A 66 2.753 13.833 -3.051 1.00 1.00 C ATOM 950 NE ARG A 66 2.663 15.074 -3.810 1.00 1.00 N ATOM 951 CZ ARG A 66 1.876 16.068 -3.413 1.00 1.00 C ATOM 952 NH1 ARG A 66 1.169 15.945 -2.324 1.00 1.00 N ATOM 953 NH2 ARG A 66 1.809 17.169 -4.113 1.00 1.00 N ATOM 0 H ARG A 66 4.630 13.402 -0.919 1.00 1.00 H new ATOM 0 HA ARG A 66 5.341 10.711 -1.237 1.00 1.00 H new ATOM 0 HB2 ARG A 66 4.072 10.965 -3.397 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.209 11.647 -2.033 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.912 13.734 -3.004 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.198 12.999 -4.426 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.918 13.181 -3.306 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.678 14.044 -1.984 1.00 1.00 H new ATOM 0 HE ARG A 66 3.214 15.181 -4.661 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.220 15.086 -1.777 1.00 1.00 H new ATOM 0 HH12 ARG A 66 0.565 16.708 -2.019 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.361 17.266 -4.965 1.00 1.00 H new ATOM 0 HH22 ARG A 66 1.204 17.932 -3.807 1.00 1.00 H new ATOM 967 N ASP A 67 7.129 12.823 -2.967 1.00 1.00 N ATOM 968 CA ASP A 67 8.291 12.942 -3.847 1.00 1.00 C ATOM 969 C ASP A 67 9.449 12.064 -3.372 1.00 1.00 C ATOM 970 O ASP A 67 10.057 11.344 -4.162 1.00 1.00 O ATOM 971 CB ASP A 67 8.743 14.403 -3.900 1.00 1.00 C ATOM 972 CG ASP A 67 8.360 15.111 -2.606 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.281 14.435 -1.593 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.165 16.314 -2.641 1.00 1.00 O ATOM 0 H ASP A 67 6.788 13.707 -2.590 1.00 1.00 H new ATOM 0 HA ASP A 67 7.999 12.603 -4.841 1.00 1.00 H new ATOM 0 HB2 ASP A 67 9.822 14.454 -4.047 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.281 14.905 -4.750 1.00 1.00 H new ATOM 979 N ARG A 68 9.751 12.121 -2.083 1.00 1.00 N ATOM 980 CA ARG A 68 10.839 11.316 -1.530 1.00 1.00 C ATOM 981 C ARG A 68 10.450 9.843 -1.464 1.00 1.00 C ATOM 982 O ARG A 68 11.283 8.958 -1.665 1.00 1.00 O ATOM 983 CB ARG A 68 11.212 11.796 -0.127 1.00 1.00 C ATOM 984 CG ARG A 68 10.827 13.265 0.060 1.00 1.00 C ATOM 985 CD ARG A 68 11.440 14.113 -1.054 1.00 1.00 C ATOM 986 NE ARG A 68 11.946 15.371 -0.512 1.00 1.00 N ATOM 987 CZ ARG A 68 12.349 16.349 -1.316 1.00 1.00 C ATOM 988 NH1 ARG A 68 12.287 16.197 -2.611 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.807 17.463 -0.811 1.00 1.00 N ATOM 0 H ARG A 68 9.266 12.708 -1.404 1.00 1.00 H new ATOM 0 HA ARG A 68 11.697 11.431 -2.192 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.705 11.184 0.619 1.00 1.00 H new ATOM 0 HB3 ARG A 68 12.283 11.672 0.033 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.742 13.369 0.052 1.00 1.00 H new ATOM 0 HG3 ARG A 68 11.174 13.619 1.031 1.00 1.00 H new ATOM 0 HD2 ARG A 68 12.250 13.564 -1.535 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.692 14.314 -1.821 1.00 1.00 H new ATOM 0 HE ARG A 68 11.991 15.501 0.499 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.929 15.327 -3.006 1.00 1.00 H new ATOM 0 HH12 ARG A 68 12.596 16.948 -3.228 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.855 17.582 0.201 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.116 18.214 -1.428 1.00 1.00 H new ATOM 1003 N ALA A 69 9.184 9.593 -1.164 1.00 1.00 N ATOM 1004 CA ALA A 69 8.678 8.227 -1.047 1.00 1.00 C ATOM 1005 C ALA A 69 8.788 7.462 -2.364 1.00 1.00 C ATOM 1006 O ALA A 69 9.056 6.260 -2.370 1.00 1.00 O ATOM 1007 CB ALA A 69 7.214 8.260 -0.607 1.00 1.00 C ATOM 0 H ALA A 69 8.485 10.317 -0.996 1.00 1.00 H new ATOM 0 HA ALA A 69 9.288 7.711 -0.306 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.837 7.241 -0.520 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.135 8.760 0.359 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.624 8.803 -1.346 1.00 1.00 H new ATOM 1013 N GLN A 70 8.566 8.153 -3.476 1.00 1.00 N ATOM 1014 CA GLN A 70 8.631 7.507 -4.783 1.00 1.00 C ATOM 1015 C GLN A 70 10.072 7.163 -5.144 1.00 1.00 C ATOM 1016 O GLN A 70 10.333 6.150 -5.795 1.00 1.00 O ATOM 1017 CB GLN A 70 7.985 8.393 -5.860 1.00 1.00 C ATOM 1018 CG GLN A 70 9.013 9.346 -6.474 1.00 1.00 C ATOM 1019 CD GLN A 70 9.789 8.645 -7.586 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.569 7.464 -7.853 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.692 9.310 -8.254 1.00 1.00 N ATOM 0 H GLN A 70 8.342 9.148 -3.501 1.00 1.00 H new ATOM 0 HA GLN A 70 8.067 6.575 -4.734 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.553 7.767 -6.640 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.168 8.966 -5.422 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.510 10.227 -6.872 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.702 9.693 -5.704 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.873 10.289 -8.031 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.217 8.851 -8.999 1.00 1.00 H new ATOM 1030 N ALA A 71 11.010 8.003 -4.716 1.00 1.00 N ATOM 1031 CA ALA A 71 12.417 7.762 -5.000 1.00 1.00 C ATOM 1032 C ALA A 71 12.877 6.469 -4.326 1.00 1.00 C ATOM 1033 O ALA A 71 13.673 5.716 -4.887 1.00 1.00 O ATOM 1034 CB ALA A 71 13.260 8.938 -4.509 1.00 1.00 C ATOM 0 H ALA A 71 10.822 8.848 -4.177 1.00 1.00 H new ATOM 0 HA ALA A 71 12.545 7.661 -6.078 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.311 8.748 -4.726 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.944 9.849 -5.016 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.127 9.057 -3.434 1.00 1.00 H new ATOM 1040 N VAL A 72 12.358 6.210 -3.127 1.00 1.00 N ATOM 1041 CA VAL A 72 12.714 4.995 -2.396 1.00 1.00 C ATOM 1042 C VAL A 72 12.228 3.770 -3.161 1.00 1.00 C ATOM 1043 O VAL A 72 12.963 2.802 -3.349 1.00 1.00 O ATOM 1044 CB VAL A 72 12.078 5.002 -1.005 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.658 3.857 -0.175 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.375 6.332 -0.311 1.00 1.00 C ATOM 0 H VAL A 72 11.696 6.818 -2.645 1.00 1.00 H new ATOM 0 HA VAL A 72 13.799 4.960 -2.293 1.00 1.00 H new ATOM 0 HB VAL A 72 11.000 4.876 -1.100 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.206 3.861 0.817 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.446 2.908 -0.667 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.736 3.985 -0.082 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.921 6.335 0.680 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.453 6.460 -0.216 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.963 7.150 -0.901 1.00 1.00 H new ATOM 1056 N GLU A 73 10.981 3.830 -3.599 1.00 1.00 N ATOM 1057 CA GLU A 73 10.389 2.729 -4.351 1.00 1.00 C ATOM 1058 C GLU A 73 11.225 2.421 -5.591 1.00 1.00 C ATOM 1059 O GLU A 73 11.330 1.268 -6.013 1.00 1.00 O ATOM 1060 CB GLU A 73 8.963 3.091 -4.772 1.00 1.00 C ATOM 1061 CG GLU A 73 7.967 2.463 -3.795 1.00 1.00 C ATOM 1062 CD GLU A 73 7.837 0.970 -4.074 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.621 0.214 -3.524 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.955 0.603 -4.834 1.00 1.00 O ATOM 0 H GLU A 73 10.359 4.624 -3.449 1.00 1.00 H new ATOM 0 HA GLU A 73 10.365 1.846 -3.712 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.841 4.174 -4.786 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.770 2.735 -5.784 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.301 2.622 -2.770 1.00 1.00 H new ATOM 0 HG3 GLU A 73 6.995 2.946 -3.893 1.00 1.00 H new ATOM 1071 N THR A 74 11.811 3.462 -6.174 1.00 1.00 N ATOM 1072 CA THR A 74 12.631 3.299 -7.371 1.00 1.00 C ATOM 1073 C THR A 74 13.982 2.680 -7.024 1.00 1.00 C ATOM 1074 O THR A 74 14.585 1.985 -7.843 1.00 1.00 O ATOM 1075 CB THR A 74 12.849 4.657 -8.042 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.592 5.203 -8.418 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.721 4.478 -9.286 1.00 1.00 C ATOM 0 H THR A 74 11.735 4.423 -5.840 1.00 1.00 H new ATOM 0 HA THR A 74 12.107 2.632 -8.055 1.00 1.00 H new ATOM 0 HB THR A 74 13.347 5.332 -7.346 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.125 5.529 -7.620 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.876 5.445 -9.764 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.684 4.057 -8.998 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.225 3.804 -9.984 1.00 1.00 H new ATOM 1085 N TYR A 75 14.455 2.938 -5.811 1.00 1.00 N ATOM 1086 CA TYR A 75 15.739 2.402 -5.371 1.00 1.00 C ATOM 1087 C TYR A 75 15.708 0.876 -5.360 1.00 1.00 C ATOM 1088 O TYR A 75 16.612 0.222 -5.881 1.00 1.00 O ATOM 1089 CB TYR A 75 16.058 2.921 -3.968 1.00 1.00 C ATOM 1090 CG TYR A 75 17.373 2.349 -3.500 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.423 1.057 -2.964 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.541 3.113 -3.597 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.642 0.528 -2.525 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.762 2.584 -3.160 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.813 1.291 -2.624 1.00 1.00 C ATOM 1096 OH TYR A 75 21.014 0.770 -2.192 1.00 1.00 O ATOM 0 H TYR A 75 13.973 3.511 -5.118 1.00 1.00 H new ATOM 0 HA TYR A 75 16.511 2.729 -6.067 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.106 4.010 -3.975 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.263 2.642 -3.277 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.521 0.468 -2.889 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.501 4.111 -4.009 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.680 -0.468 -2.110 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.664 3.173 -3.236 1.00 1.00 H new ATOM 0 HH TYR A 75 21.726 1.429 -2.333 1.00 1.00 H new ATOM 1106 N LEU A 76 14.661 0.318 -4.764 1.00 1.00 N ATOM 1107 CA LEU A 76 14.514 -1.133 -4.683 1.00 1.00 C ATOM 1108 C LEU A 76 14.244 -1.738 -6.058 1.00 1.00 C ATOM 1109 O LEU A 76 14.805 -2.777 -6.407 1.00 1.00 O ATOM 1110 CB LEU A 76 13.350 -1.481 -3.753 1.00 1.00 C ATOM 1111 CG LEU A 76 13.479 -2.935 -3.275 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.681 -3.085 -2.335 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.204 -3.348 -2.530 1.00 1.00 C ATOM 0 H LEU A 76 13.903 0.845 -4.331 1.00 1.00 H new ATOM 0 HA LEU A 76 15.446 -1.544 -4.295 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.343 -0.807 -2.897 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.403 -1.343 -4.274 1.00 1.00 H new ATOM 0 HG LEU A 76 13.624 -3.575 -4.145 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.758 -4.121 -2.005 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.592 -2.803 -2.862 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.548 -2.438 -1.468 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.298 -4.380 -2.192 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.058 -2.696 -1.669 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.348 -3.262 -3.199 1.00 1.00 H new ATOM 1125 N LYS A 77 13.374 -1.094 -6.828 1.00 1.00 N ATOM 1126 CA LYS A 77 13.032 -1.586 -8.150 1.00 1.00 C ATOM 1127 C LYS A 77 14.284 -1.699 -9.013 1.00 1.00 C ATOM 1128 O LYS A 77 14.461 -2.675 -9.743 1.00 1.00 O ATOM 1129 CB LYS A 77 11.999 -0.641 -8.788 1.00 1.00 C ATOM 1130 CG LYS A 77 12.289 -0.441 -10.278 1.00 1.00 C ATOM 1131 CD LYS A 77 11.095 0.254 -10.943 1.00 1.00 C ATOM 1132 CE LYS A 77 10.953 1.679 -10.405 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.096 2.474 -11.331 1.00 1.00 N ATOM 0 H LYS A 77 12.896 -0.234 -6.558 1.00 1.00 H new ATOM 0 HA LYS A 77 12.596 -2.582 -8.071 1.00 1.00 H new ATOM 0 HB2 LYS A 77 10.997 -1.051 -8.660 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.017 0.322 -8.277 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.190 0.159 -10.407 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.475 -1.403 -10.755 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.233 0.277 -12.024 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.182 -0.309 -10.750 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.512 1.661 -9.408 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.935 2.144 -10.311 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 9.998 3.443 -10.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.535 2.501 -12.273 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.156 2.033 -11.399 1.00 1.00 H new ATOM 1147 N LYS A 78 15.155 -0.699 -8.923 1.00 1.00 N ATOM 1148 CA LYS A 78 16.386 -0.707 -9.701 1.00 1.00 C ATOM 1149 C LYS A 78 17.326 -1.802 -9.201 1.00 1.00 C ATOM 1150 O LYS A 78 17.994 -2.465 -9.990 1.00 1.00 O ATOM 1151 CB LYS A 78 17.082 0.651 -9.594 1.00 1.00 C ATOM 1152 CG LYS A 78 17.892 0.909 -10.866 1.00 1.00 C ATOM 1153 CD LYS A 78 18.984 1.941 -10.574 1.00 1.00 C ATOM 1154 CE LYS A 78 18.343 3.232 -10.063 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.280 3.200 -8.576 1.00 1.00 N ATOM 0 H LYS A 78 15.033 0.119 -8.325 1.00 1.00 H new ATOM 0 HA LYS A 78 16.134 -0.904 -10.743 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.344 1.440 -9.454 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.737 0.669 -8.723 1.00 1.00 H new ATOM 0 HG2 LYS A 78 18.340 -0.020 -11.220 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.238 1.270 -11.660 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.680 1.550 -9.832 1.00 1.00 H new ATOM 0 HD3 LYS A 78 19.560 2.141 -11.477 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.922 4.094 -10.395 1.00 1.00 H new ATOM 0 HE3 LYS A 78 17.341 3.342 -10.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.560 4.127 -8.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.309 2.982 -8.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.927 2.469 -8.217 1.00 1.00 H new ATOM 1169 N LEU A 79 17.367 -1.982 -7.885 1.00 1.00 N ATOM 1170 CA LEU A 79 18.229 -2.997 -7.285 1.00 1.00 C ATOM 1171 C LEU A 79 17.733 -4.400 -7.626 1.00 1.00 C ATOM 1172 O LEU A 79 18.513 -5.260 -8.033 1.00 1.00 O ATOM 1173 CB LEU A 79 18.245 -2.818 -5.762 1.00 1.00 C ATOM 1174 CG LEU A 79 19.531 -2.103 -5.327 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.743 -3.010 -5.561 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.699 -0.814 -6.137 1.00 1.00 C ATOM 0 H LEU A 79 16.818 -1.443 -7.216 1.00 1.00 H new ATOM 0 HA LEU A 79 19.236 -2.878 -7.685 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.375 -2.242 -5.447 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.177 -3.790 -5.273 1.00 1.00 H new ATOM 0 HG LEU A 79 19.462 -1.865 -4.266 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.650 -2.493 -5.249 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.630 -3.926 -4.981 1.00 1.00 H new ATOM 0 HD13 LEU A 79 20.813 -3.258 -6.620 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.613 -0.306 -5.828 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.760 -1.056 -7.198 1.00 1.00 H new ATOM 0 HD23 LEU A 79 18.844 -0.161 -5.963 1.00 1.00 H new ATOM 1188 N ILE A 80 16.432 -4.626 -7.459 1.00 1.00 N ATOM 1189 CA ILE A 80 15.856 -5.932 -7.758 1.00 1.00 C ATOM 1190 C ILE A 80 15.878 -6.198 -9.260 1.00 1.00 C ATOM 1191 O ILE A 80 16.224 -7.292 -9.702 1.00 1.00 O ATOM 1192 CB ILE A 80 14.417 -6.014 -7.245 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.426 -6.084 -5.714 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.751 -7.271 -7.813 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.998 -5.935 -5.179 1.00 1.00 C ATOM 0 H ILE A 80 15.765 -3.931 -7.123 1.00 1.00 H new ATOM 0 HA ILE A 80 16.458 -6.689 -7.255 1.00 1.00 H new ATOM 0 HB ILE A 80 13.862 -5.132 -7.563 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.849 -7.034 -5.387 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.060 -5.296 -5.309 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.725 -7.335 -7.451 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.749 -7.221 -8.902 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.305 -8.153 -7.491 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.010 -5.986 -4.090 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.590 -4.974 -5.493 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.376 -6.739 -5.573 1.00 1.00 H new ATOM 1207 N ALA A 81 15.503 -5.188 -10.036 1.00 1.00 N ATOM 1208 CA ALA A 81 15.476 -5.321 -11.488 1.00 1.00 C ATOM 1209 C ALA A 81 16.885 -5.500 -12.042 1.00 1.00 C ATOM 1210 O ALA A 81 17.068 -6.070 -13.118 1.00 1.00 O ATOM 1211 CB ALA A 81 14.834 -4.081 -12.113 1.00 1.00 C ATOM 0 H ALA A 81 15.215 -4.274 -9.687 1.00 1.00 H new ATOM 0 HA ALA A 81 14.888 -6.203 -11.740 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.817 -4.187 -13.198 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.814 -3.974 -11.743 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.412 -3.197 -11.844 1.00 1.00 H new ATOM 1306 N LYS A 88 15.549 -7.401 1.483 1.00 1.00 N ATOM 1307 CA LYS A 88 14.168 -7.015 1.742 1.00 1.00 C ATOM 1308 C LYS A 88 14.125 -5.688 2.492 1.00 1.00 C ATOM 1309 O LYS A 88 14.472 -5.619 3.671 1.00 1.00 O ATOM 1310 CB LYS A 88 13.474 -8.096 2.573 1.00 1.00 C ATOM 1311 CG LYS A 88 13.590 -9.444 1.858 1.00 1.00 C ATOM 1312 CD LYS A 88 14.587 -10.334 2.603 1.00 1.00 C ATOM 1313 CE LYS A 88 13.969 -10.805 3.923 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.667 -12.262 3.837 1.00 1.00 N ATOM 0 HA LYS A 88 13.650 -6.903 0.789 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.928 -8.157 3.562 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.425 -7.839 2.719 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.615 -9.929 1.815 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.918 -9.295 0.829 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.853 -11.193 1.988 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.507 -9.783 2.797 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.656 -10.613 4.748 1.00 1.00 H new ATOM 0 HE3 LYS A 88 13.057 -10.245 4.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.247 -12.583 4.733 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.997 -12.432 3.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.546 -12.789 3.658 1.00 1.00 H new ATOM 1328 N ILE A 89 13.708 -4.634 1.800 1.00 1.00 N ATOM 1329 CA ILE A 89 13.636 -3.313 2.411 1.00 1.00 C ATOM 1330 C ILE A 89 13.064 -3.406 3.822 1.00 1.00 C ATOM 1331 O ILE A 89 12.238 -4.269 4.118 1.00 1.00 O ATOM 1332 CB ILE A 89 12.783 -2.373 1.535 1.00 1.00 C ATOM 1333 CG1 ILE A 89 13.722 -1.421 0.782 1.00 1.00 C ATOM 1334 CG2 ILE A 89 11.803 -1.553 2.396 1.00 1.00 C ATOM 1335 CD1 ILE A 89 12.919 -0.545 -0.180 1.00 1.00 C ATOM 0 H ILE A 89 13.417 -4.668 0.823 1.00 1.00 H new ATOM 0 HA ILE A 89 14.643 -2.903 2.482 1.00 1.00 H new ATOM 0 HB ILE A 89 12.200 -2.971 0.834 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.263 -0.795 1.491 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.467 -1.994 0.229 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.214 -0.899 1.753 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.138 -2.229 2.933 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.363 -0.951 3.111 1.00 1.00 H new ATOM 0 HD11 ILE A 89 13.594 0.127 -0.710 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.398 -1.177 -0.899 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.191 0.040 0.382 1.00 1.00 H new ATOM 1347 N THR A 90 13.503 -2.493 4.682 1.00 1.00 N ATOM 1348 CA THR A 90 13.032 -2.451 6.058 1.00 1.00 C ATOM 1349 C THR A 90 12.803 -1.002 6.480 1.00 1.00 C ATOM 1350 O THR A 90 13.071 -0.075 5.715 1.00 1.00 O ATOM 1351 CB THR A 90 14.058 -3.103 6.988 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.210 -2.276 7.072 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.450 -4.474 6.434 1.00 1.00 C ATOM 0 H THR A 90 14.185 -1.772 4.448 1.00 1.00 H new ATOM 0 HA THR A 90 12.093 -3.001 6.127 1.00 1.00 H new ATOM 0 HB THR A 90 13.625 -3.225 7.981 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.868 -2.691 7.668 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.181 -4.939 7.096 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.565 -5.107 6.369 1.00 1.00 H new ATOM 0 HG23 THR A 90 14.884 -4.355 5.441 1.00 1.00 H new ATOM 1361 N GLU A 91 12.314 -0.810 7.699 1.00 1.00 N ATOM 1362 CA GLU A 91 12.064 0.533 8.207 1.00 1.00 C ATOM 1363 C GLU A 91 13.353 1.344 8.204 1.00 1.00 C ATOM 1364 O GLU A 91 13.336 2.566 8.063 1.00 1.00 O ATOM 1365 CB GLU A 91 11.507 0.460 9.630 1.00 1.00 C ATOM 1366 CG GLU A 91 12.564 -0.139 10.559 1.00 1.00 C ATOM 1367 CD GLU A 91 11.888 -0.864 11.718 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.353 -1.937 11.489 1.00 1.00 O ATOM 1369 OE2 GLU A 91 11.916 -0.339 12.819 1.00 1.00 O ATOM 0 H GLU A 91 12.084 -1.561 8.350 1.00 1.00 H new ATOM 0 HA GLU A 91 11.334 1.020 7.560 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.227 1.456 9.974 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.604 -0.150 9.648 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.197 -0.832 10.005 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.213 0.649 10.941 1.00 1.00 H new ATOM 1376 N ALA A 92 14.468 0.643 8.366 1.00 1.00 N ATOM 1377 CA ALA A 92 15.778 1.287 8.393 1.00 1.00 C ATOM 1378 C ALA A 92 16.261 1.580 6.979 1.00 1.00 C ATOM 1379 O ALA A 92 16.970 2.557 6.743 1.00 1.00 O ATOM 1380 CB ALA A 92 16.789 0.383 9.100 1.00 1.00 C ATOM 0 H ALA A 92 14.493 -0.370 8.481 1.00 1.00 H new ATOM 0 HA ALA A 92 15.687 2.228 8.936 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.764 0.870 9.116 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.459 0.198 10.122 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.866 -0.564 8.566 1.00 1.00 H new ATOM 1386 N GLU A 93 15.881 0.724 6.040 1.00 1.00 N ATOM 1387 CA GLU A 93 16.289 0.902 4.655 1.00 1.00 C ATOM 1388 C GLU A 93 15.500 2.036 4.002 1.00 1.00 C ATOM 1389 O GLU A 93 16.069 2.874 3.304 1.00 1.00 O ATOM 1390 CB GLU A 93 16.064 -0.393 3.882 1.00 1.00 C ATOM 1391 CG GLU A 93 16.894 -0.370 2.598 1.00 1.00 C ATOM 1392 CD GLU A 93 18.355 -0.672 2.917 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.594 -1.555 3.726 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.212 -0.019 2.347 1.00 1.00 O ATOM 0 H GLU A 93 15.296 -0.094 6.211 1.00 1.00 H new ATOM 0 HA GLU A 93 17.348 1.159 4.635 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.346 -1.249 4.495 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.007 -0.507 3.643 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.508 -1.105 1.892 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.812 0.606 2.119 1.00 1.00 H new ATOM 1401 N ILE A 94 14.188 2.055 4.227 1.00 1.00 N ATOM 1402 CA ILE A 94 13.339 3.092 3.645 1.00 1.00 C ATOM 1403 C ILE A 94 13.732 4.463 4.180 1.00 1.00 C ATOM 1404 O ILE A 94 13.877 5.420 3.418 1.00 1.00 O ATOM 1405 CB ILE A 94 11.871 2.813 3.984 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.281 1.853 2.949 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.071 4.119 3.974 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.200 0.996 3.609 1.00 1.00 C ATOM 0 H ILE A 94 13.694 1.372 4.802 1.00 1.00 H new ATOM 0 HA ILE A 94 13.472 3.083 2.563 1.00 1.00 H new ATOM 0 HB ILE A 94 11.816 2.366 4.977 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.857 2.414 2.116 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.065 1.217 2.539 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.029 3.909 4.216 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.485 4.805 4.714 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.129 4.574 2.985 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.779 0.311 2.873 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.638 0.424 4.427 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.412 1.641 3.998 1.00 1.00 H new ATOM 1420 N VAL A 95 13.910 4.549 5.490 1.00 1.00 N ATOM 1421 CA VAL A 95 14.295 5.804 6.119 1.00 1.00 C ATOM 1422 C VAL A 95 15.710 6.187 5.709 1.00 1.00 C ATOM 1423 O VAL A 95 16.014 7.358 5.484 1.00 1.00 O ATOM 1424 CB VAL A 95 14.181 5.694 7.647 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.495 5.202 8.263 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.837 7.067 8.227 1.00 1.00 C ATOM 0 H VAL A 95 13.795 3.768 6.136 1.00 1.00 H new ATOM 0 HA VAL A 95 13.616 6.588 5.782 1.00 1.00 H new ATOM 0 HB VAL A 95 13.397 4.975 7.884 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.386 5.133 9.345 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.740 4.219 7.860 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.294 5.903 8.022 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.755 6.994 9.311 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.622 7.778 7.970 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.888 7.409 7.814 1.00 1.00 H new ATOM 1436 N SER A 96 16.575 5.184 5.636 1.00 1.00 N ATOM 1437 CA SER A 96 17.974 5.410 5.277 1.00 1.00 C ATOM 1438 C SER A 96 18.093 6.055 3.902 1.00 1.00 C ATOM 1439 O SER A 96 18.846 7.013 3.721 1.00 1.00 O ATOM 1440 CB SER A 96 18.738 4.086 5.284 1.00 1.00 C ATOM 1441 OG SER A 96 19.975 4.253 4.603 1.00 1.00 O ATOM 0 H SER A 96 16.337 4.209 5.819 1.00 1.00 H new ATOM 0 HA SER A 96 18.403 6.087 6.016 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.915 3.761 6.309 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.146 3.309 4.801 1.00 1.00 H new ATOM 0 HG SER A 96 20.468 3.406 4.607 1.00 1.00 H new ATOM 1447 N ILE A 97 17.348 5.533 2.935 1.00 1.00 N ATOM 1448 CA ILE A 97 17.388 6.081 1.585 1.00 1.00 C ATOM 1449 C ILE A 97 16.721 7.454 1.570 1.00 1.00 C ATOM 1450 O ILE A 97 17.184 8.374 0.897 1.00 1.00 O ATOM 1451 CB ILE A 97 16.676 5.130 0.609 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.315 3.739 0.680 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.810 5.657 -0.822 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.291 2.687 0.254 1.00 1.00 C ATOM 0 H ILE A 97 16.717 4.741 3.057 1.00 1.00 H new ATOM 0 HA ILE A 97 18.426 6.187 1.270 1.00 1.00 H new ATOM 0 HB ILE A 97 15.623 5.070 0.885 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.189 3.695 0.031 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.660 3.537 1.694 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.303 4.979 -1.508 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.357 6.646 -0.889 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.865 5.722 -1.089 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.744 1.697 0.304 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.430 2.726 0.921 1.00 1.00 H new ATOM 0 HD13 ILE A 97 15.968 2.887 -0.768 1.00 1.00 H new ATOM 1466 N LEU A 98 15.636 7.581 2.327 1.00 1.00 N ATOM 1467 CA LEU A 98 14.908 8.844 2.409 1.00 1.00 C ATOM 1468 C LEU A 98 15.849 9.971 2.826 1.00 1.00 C ATOM 1469 O LEU A 98 15.888 11.027 2.193 1.00 1.00 O ATOM 1470 CB LEU A 98 13.774 8.707 3.433 1.00 1.00 C ATOM 1471 CG LEU A 98 13.117 10.066 3.704 1.00 1.00 C ATOM 1472 CD1 LEU A 98 12.707 10.716 2.384 1.00 1.00 C ATOM 1473 CD2 LEU A 98 11.872 9.859 4.570 1.00 1.00 C ATOM 0 H LEU A 98 15.242 6.828 2.891 1.00 1.00 H new ATOM 0 HA LEU A 98 14.492 9.083 1.430 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.027 8.004 3.063 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.166 8.296 4.363 1.00 1.00 H new ATOM 0 HG LEU A 98 13.826 10.713 4.220 1.00 1.00 H new ATOM 0 HD11 LEU A 98 12.241 11.681 2.583 1.00 1.00 H new ATOM 0 HD12 LEU A 98 13.589 10.861 1.760 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.998 10.071 1.865 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.401 10.822 4.766 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.169 9.211 4.047 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.159 9.397 5.515 1.00 1.00 H new ATOM 1485 N ASN A 99 16.605 9.739 3.893 1.00 1.00 N ATOM 1486 CA ASN A 99 17.541 10.742 4.385 1.00 1.00 C ATOM 1487 C ASN A 99 18.532 11.134 3.292 1.00 1.00 C ATOM 1488 O ASN A 99 18.968 12.282 3.220 1.00 1.00 O ATOM 1489 CB ASN A 99 18.301 10.199 5.598 1.00 1.00 C ATOM 1490 CG ASN A 99 18.507 11.308 6.622 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.356 12.179 6.431 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.770 11.337 7.698 1.00 1.00 N ATOM 0 H ASN A 99 16.589 8.872 4.430 1.00 1.00 H new ATOM 0 HA ASN A 99 16.975 11.626 4.679 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.745 9.376 6.047 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.265 9.799 5.284 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.897 12.082 8.383 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.067 10.615 7.854 1.00 1.00 H new ATOM 1499 N GLY A 100 18.876 10.172 2.445 1.00 1.00 N ATOM 1500 CA GLY A 100 19.812 10.426 1.355 1.00 1.00 C ATOM 1501 C GLY A 100 19.122 11.155 0.207 1.00 1.00 C ATOM 1502 O GLY A 100 19.744 11.936 -0.512 1.00 1.00 O ATOM 0 H GLY A 100 18.525 9.215 2.490 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.649 11.022 1.720 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.225 9.483 0.997 1.00 1.00 H new ATOM 1506 N ILE A 101 17.831 10.889 0.039 1.00 1.00 N ATOM 1507 CA ILE A 101 17.059 11.520 -1.026 1.00 1.00 C ATOM 1508 C ILE A 101 16.741 12.970 -0.678 1.00 1.00 C ATOM 1509 O ILE A 101 16.712 13.836 -1.551 1.00 1.00 O ATOM 1510 CB ILE A 101 15.758 10.746 -1.248 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.048 9.507 -2.095 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.747 11.635 -1.975 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.084 8.387 -1.704 1.00 1.00 C ATOM 0 H ILE A 101 17.299 10.244 0.623 1.00 1.00 H new ATOM 0 HA ILE A 101 17.654 11.506 -1.939 1.00 1.00 H new ATOM 0 HB ILE A 101 15.345 10.445 -0.285 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.938 9.743 -3.154 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.078 9.184 -1.945 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.822 11.081 -2.132 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.542 12.520 -1.373 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.156 11.938 -2.939 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.290 7.503 -2.307 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.216 8.145 -0.649 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.058 8.713 -1.876 1.00 1.00 H new ATOM 1525 N ALA A 102 16.500 13.228 0.602 1.00 1.00 N ATOM 1526 CA ALA A 102 16.184 14.579 1.052 1.00 1.00 C ATOM 1527 C ALA A 102 17.396 15.493 0.906 1.00 1.00 C ATOM 1528 O ALA A 102 17.257 16.711 0.798 1.00 1.00 O ATOM 1529 CB ALA A 102 15.739 14.551 2.516 1.00 1.00 C ATOM 0 H ALA A 102 16.517 12.526 1.342 1.00 1.00 H new ATOM 0 HA ALA A 102 15.375 14.966 0.432 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.505 15.564 2.845 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.853 13.923 2.615 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.541 14.146 3.133 1.00 1.00 H new ATOM 1535 N LYS A 103 18.586 14.898 0.906 1.00 1.00 N ATOM 1536 CA LYS A 103 19.816 15.672 0.775 1.00 1.00 C ATOM 1537 C LYS A 103 20.048 16.085 -0.675 1.00 1.00 C ATOM 1538 O LYS A 103 20.377 17.239 -0.956 1.00 1.00 O ATOM 1539 CB LYS A 103 21.004 14.846 1.269 1.00 1.00 C ATOM 1540 CG LYS A 103 22.228 15.752 1.416 1.00 1.00 C ATOM 1541 CD LYS A 103 23.466 14.897 1.699 1.00 1.00 C ATOM 1542 CE LYS A 103 24.334 14.823 0.443 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.520 13.959 0.706 1.00 1.00 N ATOM 0 H LYS A 103 18.724 13.891 0.994 1.00 1.00 H new ATOM 0 HA LYS A 103 19.719 16.573 1.381 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.765 14.381 2.226 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.217 14.040 0.567 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.375 16.333 0.506 1.00 1.00 H new ATOM 0 HG3 LYS A 103 22.072 16.464 2.227 1.00 1.00 H new ATOM 0 HD2 LYS A 103 24.036 15.326 2.523 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.166 13.895 2.006 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.755 14.420 -0.388 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.657 15.823 0.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 26.110 13.909 -0.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 26.076 14.361 1.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.203 13.003 0.964 1.00 1.00 H new ATOM 1557 N GLN A 104 19.879 15.139 -1.593 1.00 1.00 N ATOM 1558 CA GLN A 104 20.079 15.423 -3.011 1.00 1.00 C ATOM 1559 C GLN A 104 18.848 16.103 -3.603 1.00 1.00 C ATOM 1560 O GLN A 104 18.966 17.021 -4.414 1.00 1.00 O ATOM 1561 CB GLN A 104 20.367 14.125 -3.770 1.00 1.00 C ATOM 1562 CG GLN A 104 19.075 13.322 -3.924 1.00 1.00 C ATOM 1563 CD GLN A 104 19.398 11.858 -4.205 1.00 1.00 C ATOM 1564 OE1 GLN A 104 18.903 11.287 -5.176 1.00 1.00 O ATOM 1565 NE2 GLN A 104 20.203 11.213 -3.405 1.00 1.00 N ATOM 0 H GLN A 104 19.607 14.178 -1.385 1.00 1.00 H new ATOM 0 HA GLN A 104 20.931 16.096 -3.110 1.00 1.00 H new ATOM 0 HB2 GLN A 104 20.786 14.351 -4.751 1.00 1.00 H new ATOM 0 HB3 GLN A 104 21.111 13.536 -3.234 1.00 1.00 H new ATOM 0 HG2 GLN A 104 18.477 13.403 -3.016 1.00 1.00 H new ATOM 0 HG3 GLN A 104 18.477 13.733 -4.737 1.00 1.00 H new ATOM 0 HE21 GLN A 104 20.612 11.689 -2.601 1.00 1.00 H new ATOM 0 HE22 GLN A 104 20.423 10.233 -3.584 1.00 1.00 H new