USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 73 TYR OH : rot 180:sc= 1.11 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0585 K(o=-0.059,f=-0.75) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 50 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.2!) USER MOD Single : A 51 SER OG : rot 99:sc= 1.23 USER MOD Single : A 57 SER OG : rot 75:sc= 1.27 USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc=-0.00843 (180deg=-0.132) USER MOD Single : A 67 THR OG1 : rot -90:sc= -1.28 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0245) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.38) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 140:sc= 0.858 (180deg=-0.162) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0.977 (180deg=0.641) USER MOD Single : A 100 SER OG : rot 91:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 11.582 42.077 -14.337 1.00 0.00 N ATOM 22 CA ALA A 2 10.656 43.080 -13.766 1.00 0.00 C ATOM 23 C ALA A 2 9.190 42.661 -13.862 1.00 0.00 C ATOM 24 O ALA A 2 8.456 42.684 -12.863 1.00 0.00 O ATOM 25 CB ALA A 2 10.862 44.432 -14.427 1.00 0.00 C ATOM 0 HA ALA A 2 10.894 43.154 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.173 45.157 -13.995 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.887 44.764 -14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.674 44.346 -15.497 1.00 0.00 H new ATOM 31 N ASP A 3 8.790 42.229 -15.035 1.00 0.00 N ATOM 32 CA ASP A 3 7.420 41.818 -15.302 1.00 0.00 C ATOM 33 C ASP A 3 7.137 40.433 -14.708 1.00 0.00 C ATOM 34 O ASP A 3 6.015 40.132 -14.314 1.00 0.00 O ATOM 35 CB ASP A 3 7.166 41.802 -16.816 1.00 0.00 C ATOM 36 CG ASP A 3 7.881 40.675 -17.554 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.138 40.677 -17.617 1.00 0.00 O ATOM 38 OD2 ASP A 3 7.199 39.763 -18.077 1.00 0.00 O ATOM 0 H ASP A 3 9.408 42.150 -15.843 1.00 0.00 H new ATOM 0 HA ASP A 3 6.748 42.535 -14.830 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.094 41.715 -16.993 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.483 42.756 -17.237 1.00 0.00 H new ATOM 43 N GLU A 4 8.174 39.632 -14.619 1.00 0.00 N ATOM 44 CA GLU A 4 8.113 38.266 -14.114 1.00 0.00 C ATOM 45 C GLU A 4 7.949 38.258 -12.598 1.00 0.00 C ATOM 46 O GLU A 4 7.085 37.580 -12.057 1.00 0.00 O ATOM 47 CB GLU A 4 9.403 37.552 -14.497 1.00 0.00 C ATOM 48 CG GLU A 4 9.565 36.162 -13.939 1.00 0.00 C ATOM 49 CD GLU A 4 10.934 35.625 -14.209 1.00 0.00 C ATOM 50 OE1 GLU A 4 11.908 36.113 -13.588 1.00 0.00 O ATOM 51 OE2 GLU A 4 11.083 34.700 -15.032 1.00 0.00 O ATOM 0 H GLU A 4 9.113 39.914 -14.902 1.00 0.00 H new ATOM 0 HA GLU A 4 7.254 37.756 -14.550 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.458 37.497 -15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.246 38.158 -14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.383 36.176 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.819 35.501 -14.381 1.00 0.00 H new ATOM 58 N GLU A 5 8.775 39.028 -11.922 1.00 0.00 N ATOM 59 CA GLU A 5 8.745 39.102 -10.479 1.00 0.00 C ATOM 60 C GLU A 5 7.475 39.791 -10.006 1.00 0.00 C ATOM 61 O GLU A 5 6.997 39.545 -8.908 1.00 0.00 O ATOM 62 CB GLU A 5 10.019 39.737 -9.930 1.00 0.00 C ATOM 63 CG GLU A 5 10.283 41.151 -10.371 1.00 0.00 C ATOM 64 CD GLU A 5 11.649 41.583 -9.964 1.00 0.00 C ATOM 65 OE1 GLU A 5 12.637 41.038 -10.504 1.00 0.00 O ATOM 66 OE2 GLU A 5 11.784 42.451 -9.106 1.00 0.00 O ATOM 0 H GLU A 5 9.484 39.618 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 5 8.720 38.090 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.973 39.718 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.867 39.119 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.180 41.225 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.540 41.818 -9.934 1.00 0.00 H new ATOM 73 N LEU A 6 6.928 40.646 -10.865 1.00 0.00 N ATOM 74 CA LEU A 6 5.640 41.273 -10.624 1.00 0.00 C ATOM 75 C LEU A 6 4.556 40.180 -10.562 1.00 0.00 C ATOM 76 O LEU A 6 3.631 40.238 -9.743 1.00 0.00 O ATOM 77 CB LEU A 6 5.329 42.284 -11.744 1.00 0.00 C ATOM 78 CG LEU A 6 4.001 43.047 -11.645 1.00 0.00 C ATOM 79 CD1 LEU A 6 3.937 43.876 -10.371 1.00 0.00 C ATOM 80 CD2 LEU A 6 3.812 43.931 -12.865 1.00 0.00 C ATOM 0 H LEU A 6 7.366 40.921 -11.744 1.00 0.00 H new ATOM 0 HA LEU A 6 5.661 41.812 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.138 43.014 -11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.344 41.751 -12.695 1.00 0.00 H new ATOM 0 HG LEU A 6 3.192 42.318 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.985 44.405 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.026 43.220 -9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.754 44.598 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.866 44.467 -12.783 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.631 44.647 -12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.803 43.314 -13.763 1.00 0.00 H new ATOM 92 N GLU A 7 4.696 39.176 -11.421 1.00 0.00 N ATOM 93 CA GLU A 7 3.798 38.038 -11.434 1.00 0.00 C ATOM 94 C GLU A 7 4.025 37.193 -10.203 1.00 0.00 C ATOM 95 O GLU A 7 3.076 36.848 -9.501 1.00 0.00 O ATOM 96 CB GLU A 7 3.989 37.189 -12.691 1.00 0.00 C ATOM 97 CG GLU A 7 3.688 37.912 -13.981 1.00 0.00 C ATOM 98 CD GLU A 7 3.888 37.040 -15.194 1.00 0.00 C ATOM 99 OE1 GLU A 7 5.008 36.972 -15.728 1.00 0.00 O ATOM 100 OE2 GLU A 7 2.910 36.394 -15.642 1.00 0.00 O ATOM 0 H GLU A 7 5.434 39.133 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 7 2.775 38.415 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.018 36.831 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.348 36.310 -12.623 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.659 38.270 -13.961 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.329 38.790 -14.059 1.00 0.00 H new ATOM 107 N ALA A 8 5.292 36.897 -9.930 1.00 0.00 N ATOM 108 CA ALA A 8 5.701 36.096 -8.769 1.00 0.00 C ATOM 109 C ALA A 8 5.174 36.703 -7.472 1.00 0.00 C ATOM 110 O ALA A 8 4.697 35.991 -6.588 1.00 0.00 O ATOM 111 CB ALA A 8 7.217 35.968 -8.721 1.00 0.00 C ATOM 0 H ALA A 8 6.073 37.206 -10.509 1.00 0.00 H new ATOM 0 HA ALA A 8 5.270 35.100 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.505 35.372 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.570 35.481 -9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.664 36.959 -8.643 1.00 0.00 H new ATOM 117 N LEU A 9 5.212 38.023 -7.388 1.00 0.00 N ATOM 118 CA LEU A 9 4.701 38.735 -6.235 1.00 0.00 C ATOM 119 C LEU A 9 3.199 38.485 -6.060 1.00 0.00 C ATOM 120 O LEU A 9 2.712 38.362 -4.939 1.00 0.00 O ATOM 121 CB LEU A 9 4.985 40.231 -6.348 1.00 0.00 C ATOM 122 CG LEU A 9 4.512 41.089 -5.174 1.00 0.00 C ATOM 123 CD1 LEU A 9 5.187 40.656 -3.880 1.00 0.00 C ATOM 124 CD2 LEU A 9 4.775 42.553 -5.451 1.00 0.00 C ATOM 0 H LEU A 9 5.597 38.626 -8.115 1.00 0.00 H new ATOM 0 HA LEU A 9 5.216 38.356 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.060 40.370 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.515 40.603 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 9 3.438 40.947 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.835 41.281 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.943 39.614 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.267 40.763 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.433 43.150 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.844 42.709 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.238 42.855 -6.350 1.00 0.00 H new ATOM 136 N ARG A 10 2.479 38.369 -7.164 1.00 0.00 N ATOM 137 CA ARG A 10 1.060 38.106 -7.103 1.00 0.00 C ATOM 138 C ARG A 10 0.807 36.664 -6.642 1.00 0.00 C ATOM 139 O ARG A 10 -0.191 36.390 -5.970 1.00 0.00 O ATOM 140 CB ARG A 10 0.356 38.424 -8.425 1.00 0.00 C ATOM 141 CG ARG A 10 -1.150 38.208 -8.379 1.00 0.00 C ATOM 142 CD ARG A 10 -1.823 38.639 -9.659 1.00 0.00 C ATOM 143 NE ARG A 10 -3.261 38.344 -9.641 1.00 0.00 N ATOM 144 CZ ARG A 10 -4.232 39.213 -9.936 1.00 0.00 C ATOM 145 NH1 ARG A 10 -3.951 40.489 -10.166 1.00 0.00 N ATOM 146 NH2 ARG A 10 -5.486 38.800 -9.989 1.00 0.00 N ATOM 0 H ARG A 10 2.857 38.453 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 10 0.623 38.777 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.558 39.461 -8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.780 37.801 -9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.360 37.154 -8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.571 38.766 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.672 39.708 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.358 38.131 -10.504 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.542 37.398 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.986 40.815 -10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.700 41.144 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.709 37.822 -9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.231 39.459 -10.214 1.00 0.00 H new ATOM 160 N ARG A 11 1.733 35.756 -6.973 1.00 0.00 N ATOM 161 CA ARG A 11 1.668 34.375 -6.458 1.00 0.00 C ATOM 162 C ARG A 11 1.910 34.388 -4.948 1.00 0.00 C ATOM 163 O ARG A 11 1.287 33.647 -4.198 1.00 0.00 O ATOM 164 CB ARG A 11 2.688 33.416 -7.120 1.00 0.00 C ATOM 165 CG ARG A 11 2.347 32.869 -8.517 1.00 0.00 C ATOM 166 CD ARG A 11 2.333 33.927 -9.604 1.00 0.00 C ATOM 167 NE ARG A 11 2.226 33.333 -10.943 1.00 0.00 N ATOM 168 CZ ARG A 11 1.791 33.973 -12.042 1.00 0.00 C ATOM 169 NH1 ARG A 11 1.274 35.200 -11.949 1.00 0.00 N ATOM 170 NH2 ARG A 11 1.845 33.369 -13.224 1.00 0.00 N ATOM 0 H ARG A 11 2.527 35.944 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 11 0.674 33.999 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.644 33.936 -7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.833 32.567 -6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.072 32.099 -8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.370 32.387 -8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.496 34.606 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.244 34.523 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 11 2.504 32.357 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.207 35.658 -11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.946 35.680 -12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.216 32.422 -13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.515 33.853 -14.059 1.00 0.00 H new ATOM 184 N GLN A 12 2.806 35.253 -4.516 1.00 0.00 N ATOM 185 CA GLN A 12 3.097 35.428 -3.106 1.00 0.00 C ATOM 186 C GLN A 12 1.850 35.967 -2.397 1.00 0.00 C ATOM 187 O GLN A 12 1.458 35.459 -1.347 1.00 0.00 O ATOM 188 CB GLN A 12 4.310 36.348 -2.950 1.00 0.00 C ATOM 189 CG GLN A 12 4.898 36.438 -1.550 1.00 0.00 C ATOM 190 CD GLN A 12 4.263 37.483 -0.644 1.00 0.00 C ATOM 191 OE1 GLN A 12 4.679 38.645 -0.643 1.00 0.00 O ATOM 192 NE2 GLN A 12 3.328 37.083 0.171 1.00 0.00 N ATOM 0 H GLN A 12 3.353 35.854 -5.132 1.00 0.00 H new ATOM 0 HA GLN A 12 3.351 34.476 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.091 36.007 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.025 37.351 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.807 35.463 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.963 36.653 -1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.007 36.115 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.917 37.738 0.836 1.00 0.00 H new ATOM 201 N ARG A 13 1.219 36.982 -2.999 1.00 0.00 N ATOM 202 CA ARG A 13 -0.065 37.526 -2.503 1.00 0.00 C ATOM 203 C ARG A 13 -1.113 36.392 -2.441 1.00 0.00 C ATOM 204 O ARG A 13 -1.920 36.320 -1.521 1.00 0.00 O ATOM 205 CB ARG A 13 -0.602 38.620 -3.447 1.00 0.00 C ATOM 206 CG ARG A 13 0.274 39.865 -3.658 1.00 0.00 C ATOM 207 CD ARG A 13 0.251 40.878 -2.501 1.00 0.00 C ATOM 208 NE ARG A 13 0.917 40.436 -1.270 1.00 0.00 N ATOM 209 CZ ARG A 13 2.027 40.998 -0.739 1.00 0.00 C ATOM 210 NH1 ARG A 13 2.671 41.981 -1.384 1.00 0.00 N ATOM 211 NH2 ARG A 13 2.465 40.596 0.455 1.00 0.00 N ATOM 0 H ARG A 13 1.573 37.449 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 13 0.108 37.953 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.782 38.166 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.569 38.949 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.303 39.544 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.050 40.369 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.722 41.801 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.787 41.116 -2.268 1.00 0.00 H new ATOM 0 HE ARG A 13 0.511 39.642 -0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.325 42.312 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.507 42.398 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.963 39.868 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.302 41.017 0.860 1.00 0.00 H new ATOM 225 N LEU A 14 -1.053 35.502 -3.422 1.00 0.00 N ATOM 226 CA LEU A 14 -1.963 34.365 -3.549 1.00 0.00 C ATOM 227 C LEU A 14 -1.798 33.404 -2.360 1.00 0.00 C ATOM 228 O LEU A 14 -2.775 32.842 -1.871 1.00 0.00 O ATOM 229 CB LEU A 14 -1.714 33.672 -4.932 1.00 0.00 C ATOM 230 CG LEU A 14 -2.583 32.464 -5.364 1.00 0.00 C ATOM 231 CD1 LEU A 14 -2.180 31.172 -4.667 1.00 0.00 C ATOM 232 CD2 LEU A 14 -4.053 32.758 -5.139 1.00 0.00 C ATOM 0 H LEU A 14 -0.358 35.548 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.999 34.702 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.819 34.437 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.674 33.345 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.409 32.314 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.822 30.359 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.142 30.939 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.287 31.292 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.647 31.898 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.226 32.958 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.344 33.630 -5.725 1.00 0.00 H new ATOM 656 N ILE A 43 1.192 -0.704 -1.382 1.00 0.00 N ATOM 657 CA ILE A 43 0.777 -2.053 -1.061 1.00 0.00 C ATOM 658 C ILE A 43 -0.232 -2.583 -2.062 1.00 0.00 C ATOM 659 O ILE A 43 -0.200 -3.762 -2.417 1.00 0.00 O ATOM 660 CB ILE A 43 0.314 -2.251 0.410 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.896 -1.370 0.773 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.483 -1.994 1.358 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.350 -1.524 2.208 1.00 0.00 C ATOM 0 HA ILE A 43 1.678 -2.660 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.017 -3.284 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.642 -0.326 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.726 -1.616 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.154 -2.134 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.291 -2.692 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.840 -0.973 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.205 -0.874 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.636 -2.560 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.536 -1.250 2.879 1.00 0.00 H new ATOM 675 N LEU A 44 -1.119 -1.709 -2.531 1.00 0.00 N ATOM 676 CA LEU A 44 -2.111 -2.088 -3.533 1.00 0.00 C ATOM 677 C LEU A 44 -1.440 -2.547 -4.828 1.00 0.00 C ATOM 678 O LEU A 44 -1.941 -3.439 -5.495 1.00 0.00 O ATOM 679 CB LEU A 44 -3.100 -0.946 -3.819 1.00 0.00 C ATOM 680 CG LEU A 44 -3.995 -0.503 -2.649 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.890 0.647 -3.071 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.834 -1.663 -2.130 1.00 0.00 C ATOM 0 H LEU A 44 -1.171 -0.735 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.676 -2.924 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.532 -0.081 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.744 -1.251 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.347 -0.165 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.516 0.948 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.275 1.490 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.523 0.330 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.457 -1.321 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.470 -2.039 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.177 -2.461 -1.783 1.00 0.00 H new ATOM 694 N ALA A 45 -0.283 -1.966 -5.149 1.00 0.00 N ATOM 695 CA ALA A 45 0.460 -2.345 -6.347 1.00 0.00 C ATOM 696 C ALA A 45 0.989 -3.765 -6.224 1.00 0.00 C ATOM 697 O ALA A 45 1.063 -4.514 -7.209 1.00 0.00 O ATOM 698 CB ALA A 45 1.612 -1.382 -6.592 1.00 0.00 C ATOM 0 H ALA A 45 0.158 -1.232 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.223 -2.298 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.153 -1.682 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.221 -0.373 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.289 -1.399 -5.738 1.00 0.00 H new ATOM 704 N GLN A 46 1.329 -4.143 -5.009 1.00 0.00 N ATOM 705 CA GLN A 46 1.878 -5.448 -4.736 1.00 0.00 C ATOM 706 C GLN A 46 0.814 -6.523 -4.882 1.00 0.00 C ATOM 707 O GLN A 46 1.059 -7.574 -5.494 1.00 0.00 O ATOM 708 CB GLN A 46 2.452 -5.513 -3.330 1.00 0.00 C ATOM 709 CG GLN A 46 3.544 -4.505 -3.027 1.00 0.00 C ATOM 710 CD GLN A 46 4.083 -4.674 -1.622 1.00 0.00 C ATOM 711 OE1 GLN A 46 3.366 -5.109 -0.714 1.00 0.00 O ATOM 712 NE2 GLN A 46 5.323 -4.353 -1.425 1.00 0.00 N ATOM 0 H GLN A 46 1.231 -3.551 -4.184 1.00 0.00 H new ATOM 0 HA GLN A 46 2.674 -5.623 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.640 -5.369 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.849 -6.514 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.356 -4.620 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.152 -3.495 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.886 -3.997 -2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.736 -4.457 -0.498 1.00 0.00 H new ATOM 721 N VAL A 47 -0.355 -6.242 -4.350 1.00 0.00 N ATOM 722 CA VAL A 47 -1.450 -7.206 -4.317 1.00 0.00 C ATOM 723 C VAL A 47 -2.219 -7.218 -5.614 1.00 0.00 C ATOM 724 O VAL A 47 -2.524 -8.270 -6.147 1.00 0.00 O ATOM 725 CB VAL A 47 -2.445 -6.903 -3.156 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.482 -8.009 -2.999 1.00 0.00 C ATOM 727 CG2 VAL A 47 -1.729 -6.619 -1.839 1.00 0.00 C ATOM 0 H VAL A 47 -0.580 -5.342 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.991 -8.182 -4.158 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.976 -5.991 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.157 -7.761 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.053 -8.107 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.979 -8.951 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.465 -6.414 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.133 -7.486 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.077 -5.754 -1.959 1.00 0.00 H new ATOM 737 N LEU A 48 -2.512 -6.077 -6.125 1.00 0.00 N ATOM 738 CA LEU A 48 -3.356 -6.005 -7.265 1.00 0.00 C ATOM 739 C LEU A 48 -2.592 -5.920 -8.556 1.00 0.00 C ATOM 740 O LEU A 48 -1.631 -5.145 -8.702 1.00 0.00 O ATOM 741 CB LEU A 48 -4.343 -4.849 -7.146 1.00 0.00 C ATOM 742 CG LEU A 48 -5.364 -4.930 -6.018 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.228 -3.679 -5.992 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.224 -6.152 -6.196 1.00 0.00 C ATOM 0 H LEU A 48 -2.180 -5.179 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.914 -6.941 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.774 -3.928 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.884 -4.766 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.834 -5.002 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.952 -3.753 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.597 -2.804 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.756 -3.581 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.952 -6.205 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.746 -6.093 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.597 -7.044 -6.179 1.00 0.00 H new ATOM 756 N ASP A 49 -2.992 -6.762 -9.465 1.00 0.00 N ATOM 757 CA ASP A 49 -2.532 -6.729 -10.841 1.00 0.00 C ATOM 758 C ASP A 49 -2.944 -5.397 -11.455 1.00 0.00 C ATOM 759 O ASP A 49 -3.918 -4.763 -11.001 1.00 0.00 O ATOM 760 CB ASP A 49 -3.166 -7.893 -11.650 1.00 0.00 C ATOM 761 CG ASP A 49 -2.720 -7.968 -13.107 1.00 0.00 C ATOM 762 OD1 ASP A 49 -3.300 -7.271 -13.962 1.00 0.00 O ATOM 763 OD2 ASP A 49 -1.792 -8.738 -13.422 1.00 0.00 O ATOM 0 H ASP A 49 -3.660 -7.509 -9.276 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.448 -6.840 -10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.921 -8.835 -11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.251 -7.791 -11.620 1.00 0.00 H new ATOM 768 N GLN A 50 -2.225 -4.995 -12.466 1.00 0.00 N ATOM 769 CA GLN A 50 -2.463 -3.750 -13.206 1.00 0.00 C ATOM 770 C GLN A 50 -3.938 -3.647 -13.638 1.00 0.00 C ATOM 771 O GLN A 50 -4.563 -2.594 -13.519 1.00 0.00 O ATOM 772 CB GLN A 50 -1.576 -3.744 -14.450 1.00 0.00 C ATOM 773 CG GLN A 50 -1.671 -2.489 -15.310 1.00 0.00 C ATOM 774 CD GLN A 50 -0.928 -2.652 -16.618 1.00 0.00 C ATOM 775 OE1 GLN A 50 -0.831 -3.757 -17.153 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.391 -1.580 -17.142 1.00 0.00 N ATOM 0 H GLN A 50 -1.431 -5.527 -12.821 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.229 -2.902 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.540 -3.874 -14.138 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.834 -4.606 -15.065 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.718 -2.264 -15.512 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.262 -1.640 -14.762 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.490 -0.679 -16.674 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.126 -1.645 -18.019 1.00 0.00 H new ATOM 785 N SER A 51 -4.488 -4.770 -14.058 1.00 0.00 N ATOM 786 CA SER A 51 -5.842 -4.834 -14.573 1.00 0.00 C ATOM 787 C SER A 51 -6.848 -4.561 -13.450 1.00 0.00 C ATOM 788 O SER A 51 -7.839 -3.850 -13.636 1.00 0.00 O ATOM 789 CB SER A 51 -6.077 -6.220 -15.153 1.00 0.00 C ATOM 790 OG SER A 51 -4.951 -6.630 -15.919 1.00 0.00 O ATOM 0 H SER A 51 -4.005 -5.669 -14.051 1.00 0.00 H new ATOM 0 HA SER A 51 -5.976 -4.079 -15.347 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.258 -6.933 -14.348 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.969 -6.214 -15.779 1.00 0.00 H new ATOM 0 HG SER A 51 -4.383 -7.217 -15.377 1.00 0.00 H new ATOM 796 N ALA A 52 -6.542 -5.079 -12.268 1.00 0.00 N ATOM 797 CA ALA A 52 -7.408 -4.938 -11.122 1.00 0.00 C ATOM 798 C ALA A 52 -7.403 -3.501 -10.650 1.00 0.00 C ATOM 799 O ALA A 52 -8.418 -2.968 -10.247 1.00 0.00 O ATOM 800 CB ALA A 52 -6.975 -5.879 -10.008 1.00 0.00 C ATOM 0 H ALA A 52 -5.688 -5.606 -12.084 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.425 -5.206 -11.409 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.639 -5.759 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.022 -6.909 -10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.953 -5.644 -9.710 1.00 0.00 H new ATOM 806 N ARG A 53 -6.263 -2.867 -10.759 1.00 0.00 N ATOM 807 CA ARG A 53 -6.118 -1.481 -10.357 1.00 0.00 C ATOM 808 C ARG A 53 -6.774 -0.525 -11.336 1.00 0.00 C ATOM 809 O ARG A 53 -7.249 0.550 -10.947 1.00 0.00 O ATOM 810 CB ARG A 53 -4.672 -1.174 -10.109 1.00 0.00 C ATOM 811 CG ARG A 53 -4.214 -1.839 -8.854 1.00 0.00 C ATOM 812 CD ARG A 53 -2.800 -2.301 -8.929 1.00 0.00 C ATOM 813 NE ARG A 53 -1.855 -1.227 -9.177 1.00 0.00 N ATOM 814 CZ ARG A 53 -0.610 -1.421 -9.604 1.00 0.00 C ATOM 815 NH1 ARG A 53 -0.107 -2.667 -9.663 1.00 0.00 N ATOM 816 NH2 ARG A 53 0.143 -0.380 -9.922 1.00 0.00 N ATOM 0 H ARG A 53 -5.410 -3.290 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.654 -1.331 -9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.070 -1.516 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.529 -0.096 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.321 -1.145 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.859 -2.692 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.538 -2.797 -7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.710 -3.044 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.163 -0.268 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.680 -3.462 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.847 -2.817 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.232 0.565 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.098 -0.523 -10.250 1.00 0.00 H new ATOM 830 N ALA A 54 -6.842 -0.920 -12.593 1.00 0.00 N ATOM 831 CA ALA A 54 -7.564 -0.146 -13.586 1.00 0.00 C ATOM 832 C ALA A 54 -9.057 -0.210 -13.262 1.00 0.00 C ATOM 833 O ALA A 54 -9.762 0.811 -13.269 1.00 0.00 O ATOM 834 CB ALA A 54 -7.289 -0.675 -14.986 1.00 0.00 C ATOM 0 H ALA A 54 -6.407 -1.770 -12.951 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.229 0.891 -13.559 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.840 -0.080 -15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.222 -0.609 -15.197 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.608 -1.715 -15.051 1.00 0.00 H new ATOM 840 N ARG A 55 -9.515 -1.415 -12.931 1.00 0.00 N ATOM 841 CA ARG A 55 -10.881 -1.653 -12.535 1.00 0.00 C ATOM 842 C ARG A 55 -11.185 -0.889 -11.236 1.00 0.00 C ATOM 843 O ARG A 55 -12.232 -0.262 -11.109 1.00 0.00 O ATOM 844 CB ARG A 55 -11.087 -3.151 -12.342 1.00 0.00 C ATOM 845 CG ARG A 55 -12.533 -3.556 -12.255 1.00 0.00 C ATOM 846 CD ARG A 55 -13.269 -3.221 -13.548 1.00 0.00 C ATOM 847 NE ARG A 55 -12.652 -3.841 -14.730 1.00 0.00 N ATOM 848 CZ ARG A 55 -12.887 -3.500 -16.004 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.821 -2.603 -16.304 1.00 0.00 N ATOM 850 NH2 ARG A 55 -12.198 -4.088 -16.967 1.00 0.00 N ATOM 0 H ARG A 55 -8.935 -2.254 -12.933 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.562 -1.297 -13.308 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.619 -3.683 -13.170 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.575 -3.465 -11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.604 -4.626 -12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.009 -3.045 -11.418 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.304 -3.552 -13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.290 -2.139 -13.680 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.987 -4.597 -14.566 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.367 -2.167 -15.561 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.992 -2.351 -17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.497 -4.792 -16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.367 -3.838 -17.941 1.00 0.00 H new ATOM 864 N LEU A 56 -10.241 -0.932 -10.307 1.00 0.00 N ATOM 865 CA LEU A 56 -10.315 -0.224 -9.022 1.00 0.00 C ATOM 866 C LEU A 56 -10.543 1.267 -9.242 1.00 0.00 C ATOM 867 O LEU A 56 -11.421 1.869 -8.620 1.00 0.00 O ATOM 868 CB LEU A 56 -9.005 -0.437 -8.242 1.00 0.00 C ATOM 869 CG LEU A 56 -8.881 0.258 -6.882 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.911 -0.271 -5.904 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.476 0.096 -6.324 1.00 0.00 C ATOM 0 H LEU A 56 -9.381 -1.469 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.153 -0.623 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.874 -1.508 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.179 -0.102 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.072 1.321 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.800 0.240 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.912 -0.092 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.763 -1.342 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.408 0.596 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.254 -0.964 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.757 0.539 -7.013 1.00 0.00 H new ATOM 883 N SER A 57 -9.757 1.842 -10.137 1.00 0.00 N ATOM 884 CA SER A 57 -9.857 3.243 -10.491 1.00 0.00 C ATOM 885 C SER A 57 -11.252 3.574 -11.035 1.00 0.00 C ATOM 886 O SER A 57 -11.854 4.573 -10.660 1.00 0.00 O ATOM 887 CB SER A 57 -8.780 3.558 -11.515 1.00 0.00 C ATOM 888 OG SER A 57 -7.491 3.268 -10.975 1.00 0.00 O ATOM 0 H SER A 57 -9.025 1.342 -10.642 1.00 0.00 H new ATOM 0 HA SER A 57 -9.708 3.858 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.944 2.972 -12.419 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.835 4.608 -11.801 1.00 0.00 H new ATOM 0 HG SER A 57 -7.354 2.298 -10.959 1.00 0.00 H new ATOM 894 N ASN A 58 -11.755 2.704 -11.892 1.00 0.00 N ATOM 895 CA ASN A 58 -13.114 2.829 -12.441 1.00 0.00 C ATOM 896 C ASN A 58 -14.168 2.831 -11.326 1.00 0.00 C ATOM 897 O ASN A 58 -15.086 3.654 -11.327 1.00 0.00 O ATOM 898 CB ASN A 58 -13.391 1.714 -13.468 1.00 0.00 C ATOM 899 CG ASN A 58 -14.860 1.608 -13.869 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.574 0.719 -13.226 1.00 0.00 O flip ATOM 901 ND2 ASN A 58 -15.328 2.290 -14.780 1.00 0.00 N flip ATOM 0 H ASN A 58 -11.244 1.890 -12.233 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.182 3.787 -12.956 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.791 1.895 -14.360 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.066 0.760 -13.053 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.741 2.973 -15.259 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.303 2.172 -15.056 1.00 0.00 H new ATOM 908 N LEU A 59 -14.010 1.930 -10.357 1.00 0.00 N ATOM 909 CA LEU A 59 -14.921 1.856 -9.219 1.00 0.00 C ATOM 910 C LEU A 59 -14.876 3.128 -8.389 1.00 0.00 C ATOM 911 O LEU A 59 -15.897 3.569 -7.883 1.00 0.00 O ATOM 912 CB LEU A 59 -14.660 0.616 -8.332 1.00 0.00 C ATOM 913 CG LEU A 59 -15.402 -0.699 -8.692 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.909 -0.528 -8.564 1.00 0.00 C ATOM 915 CD2 LEU A 59 -15.048 -1.195 -10.082 1.00 0.00 C ATOM 0 H LEU A 59 -13.258 1.241 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.924 1.751 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.589 0.412 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.919 0.877 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.070 -1.452 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.405 -1.464 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.158 -0.256 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.245 0.258 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.591 -2.117 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.322 -0.440 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.976 -1.385 -10.138 1.00 0.00 H new ATOM 927 N ALA A 60 -13.701 3.731 -8.295 1.00 0.00 N ATOM 928 CA ALA A 60 -13.504 4.974 -7.540 1.00 0.00 C ATOM 929 C ALA A 60 -14.287 6.125 -8.154 1.00 0.00 C ATOM 930 O ALA A 60 -14.714 7.049 -7.460 1.00 0.00 O ATOM 931 CB ALA A 60 -12.026 5.332 -7.490 1.00 0.00 C ATOM 0 H ALA A 60 -12.852 3.378 -8.738 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.873 4.808 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.894 6.256 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.473 4.529 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.650 5.468 -8.504 1.00 0.00 H new ATOM 937 N LEU A 61 -14.473 6.060 -9.448 1.00 0.00 N ATOM 938 CA LEU A 61 -15.157 7.101 -10.177 1.00 0.00 C ATOM 939 C LEU A 61 -16.670 6.934 -10.110 1.00 0.00 C ATOM 940 O LEU A 61 -17.414 7.898 -10.283 1.00 0.00 O ATOM 941 CB LEU A 61 -14.682 7.120 -11.634 1.00 0.00 C ATOM 942 CG LEU A 61 -13.191 7.405 -11.855 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.844 7.304 -13.328 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.817 8.782 -11.315 1.00 0.00 C ATOM 0 H LEU A 61 -14.155 5.283 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.913 8.055 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.917 6.155 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.258 7.872 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.617 6.656 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.782 7.509 -13.467 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.069 6.300 -13.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.430 8.030 -13.891 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.755 8.962 -11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.400 9.545 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.028 8.823 -10.246 1.00 0.00 H new ATOM 956 N VAL A 62 -17.130 5.729 -9.863 1.00 0.00 N ATOM 957 CA VAL A 62 -18.562 5.492 -9.811 1.00 0.00 C ATOM 958 C VAL A 62 -19.105 5.351 -8.381 1.00 0.00 C ATOM 959 O VAL A 62 -20.173 5.901 -8.057 1.00 0.00 O ATOM 960 CB VAL A 62 -19.029 4.308 -10.718 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.793 4.635 -12.183 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.330 3.004 -10.355 1.00 0.00 C ATOM 0 H VAL A 62 -16.549 4.908 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.003 6.398 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.097 4.171 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.124 3.800 -12.800 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.355 5.529 -12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.730 4.811 -12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.684 2.207 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.253 3.122 -10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.552 2.748 -9.319 1.00 0.00 H new ATOM 972 N LYS A 63 -18.381 4.659 -7.518 1.00 0.00 N ATOM 973 CA LYS A 63 -18.830 4.450 -6.160 1.00 0.00 C ATOM 974 C LYS A 63 -17.649 4.301 -5.185 1.00 0.00 C ATOM 975 O LYS A 63 -17.224 3.182 -4.844 1.00 0.00 O ATOM 976 CB LYS A 63 -19.871 3.289 -6.082 1.00 0.00 C ATOM 977 CG LYS A 63 -19.378 1.908 -6.542 1.00 0.00 C ATOM 978 CD LYS A 63 -20.535 1.000 -6.980 1.00 0.00 C ATOM 979 CE LYS A 63 -21.618 0.843 -5.912 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.744 0.003 -6.379 1.00 0.00 N ATOM 0 H LYS A 63 -17.480 4.234 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.359 5.345 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.215 3.205 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.737 3.563 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.680 2.030 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.830 1.430 -5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.984 1.407 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.140 0.016 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.182 0.399 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.993 1.827 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.454 -0.076 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.178 0.439 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.392 -0.944 -6.624 1.00 0.00 H new ATOM 994 N PRO A 64 -17.106 5.462 -4.715 1.00 0.00 N ATOM 995 CA PRO A 64 -15.917 5.523 -3.831 1.00 0.00 C ATOM 996 C PRO A 64 -16.104 4.746 -2.535 1.00 0.00 C ATOM 997 O PRO A 64 -15.130 4.333 -1.896 1.00 0.00 O ATOM 998 CB PRO A 64 -15.773 7.015 -3.511 1.00 0.00 C ATOM 999 CG PRO A 64 -16.483 7.717 -4.607 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.610 6.821 -5.028 1.00 0.00 C ATOM 0 HA PRO A 64 -15.047 5.081 -4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.210 7.254 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.724 7.309 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.860 8.682 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.810 7.913 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.526 7.045 -4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.836 6.931 -6.089 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.358 4.549 -2.162 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.726 3.803 -0.971 1.00 0.00 C ATOM 1010 C GLU A 65 -17.150 2.398 -1.027 1.00 0.00 C ATOM 1011 O GLU A 65 -16.559 1.911 -0.068 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.229 3.701 -0.877 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.931 5.024 -0.803 1.00 0.00 C ATOM 1014 CD GLU A 65 -21.412 4.853 -0.848 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.985 4.406 0.139 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -22.020 5.127 -1.901 1.00 0.00 O ATOM 0 H GLU A 65 -18.158 4.907 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.328 4.327 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.600 3.154 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.488 3.115 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.649 5.537 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.610 5.656 -1.631 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.298 1.769 -2.177 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.830 0.418 -2.356 1.00 0.00 C ATOM 1025 C LYS A 66 -15.336 0.396 -2.578 1.00 0.00 C ATOM 1026 O LYS A 66 -14.673 -0.557 -2.200 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.560 -0.279 -3.498 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.063 -0.490 -3.287 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.357 -1.431 -2.113 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.713 -0.700 -0.808 1.00 0.00 C ATOM 1031 NZ LYS A 66 -21.015 0.017 -0.904 1.00 0.00 N ATOM 0 H LYS A 66 -17.740 2.178 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.049 -0.133 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.417 0.304 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.094 -1.250 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.541 0.473 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.502 -0.899 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.181 -2.091 -2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.486 -2.063 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.755 -1.419 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.924 0.012 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.347 0.263 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.892 0.886 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.716 -0.596 -1.367 1.00 0.00 H new ATOM 1045 N THR A 67 -14.813 1.454 -3.166 1.00 0.00 N ATOM 1046 CA THR A 67 -13.389 1.585 -3.391 1.00 0.00 C ATOM 1047 C THR A 67 -12.664 1.607 -2.049 1.00 0.00 C ATOM 1048 O THR A 67 -11.763 0.825 -1.813 1.00 0.00 O ATOM 1049 CB THR A 67 -13.110 2.899 -4.095 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.087 3.070 -5.125 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.718 2.897 -4.708 1.00 0.00 C ATOM 0 H THR A 67 -15.363 2.245 -3.500 1.00 0.00 H new ATOM 0 HA THR A 67 -13.045 0.747 -3.997 1.00 0.00 H new ATOM 0 HB THR A 67 -13.162 3.716 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.757 2.673 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.539 3.849 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.975 2.754 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.641 2.087 -5.433 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.130 2.474 -1.163 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.556 2.638 0.156 1.00 0.00 C ATOM 1061 C LYS A 68 -12.699 1.341 0.950 1.00 0.00 C ATOM 1062 O LYS A 68 -11.832 0.983 1.750 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.261 3.804 0.855 1.00 0.00 C ATOM 1064 CG LYS A 68 -12.689 4.200 2.208 1.00 0.00 C ATOM 1065 CD LYS A 68 -13.355 5.473 2.733 1.00 0.00 C ATOM 1066 CE LYS A 68 -14.839 5.277 3.070 1.00 0.00 C ATOM 1067 NZ LYS A 68 -15.035 4.398 4.242 1.00 0.00 N ATOM 0 H LYS A 68 -13.925 3.087 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.492 2.863 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.227 4.673 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.311 3.544 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.835 3.388 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.614 4.357 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.827 5.812 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.258 6.261 1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.296 6.247 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.352 4.850 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.044 4.376 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.714 3.436 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.485 4.763 5.046 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.783 0.632 0.690 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.042 -0.628 1.335 1.00 0.00 C ATOM 1083 C ALA A 69 -13.070 -1.706 0.852 1.00 0.00 C ATOM 1084 O ALA A 69 -12.486 -2.423 1.669 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.487 -1.051 1.139 1.00 0.00 C ATOM 0 H ALA A 69 -14.503 0.919 0.026 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.879 -0.499 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.657 -2.006 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.148 -0.297 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.695 -1.154 0.074 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.876 -1.815 -0.470 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.929 -2.786 -0.987 1.00 0.00 C ATOM 1093 C VAL A 70 -10.504 -2.405 -0.619 1.00 0.00 C ATOM 1094 O VAL A 70 -9.730 -3.266 -0.256 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.053 -3.104 -2.520 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.400 -3.708 -2.851 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.806 -1.887 -3.382 1.00 0.00 C ATOM 0 H VAL A 70 -13.353 -1.255 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.197 -3.721 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.275 -3.834 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.453 -3.916 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.529 -4.636 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.190 -3.008 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.903 -2.160 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.535 -1.114 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.801 -1.508 -3.197 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.178 -1.102 -0.663 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.854 -0.629 -0.260 1.00 0.00 C ATOM 1109 C GLU A 71 -8.553 -1.081 1.156 1.00 0.00 C ATOM 1110 O GLU A 71 -7.525 -1.701 1.399 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.717 0.902 -0.359 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.704 1.464 -1.769 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.508 2.966 -1.773 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.414 3.698 -1.328 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.443 3.448 -2.238 1.00 0.00 O ATOM 0 H GLU A 71 -10.813 -0.366 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.133 -1.064 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.541 1.360 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.796 1.201 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.906 0.992 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.642 1.218 -2.267 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.490 -0.812 2.070 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.372 -1.195 3.472 1.00 0.00 C ATOM 1124 C ASN A 72 -9.146 -2.701 3.593 1.00 0.00 C ATOM 1125 O ASN A 72 -8.264 -3.158 4.333 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.659 -0.818 4.216 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.542 -0.951 5.719 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.792 -2.016 6.306 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.209 0.135 6.360 1.00 0.00 N ATOM 0 H ASN A 72 -10.356 -0.319 1.852 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.523 -0.670 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.926 0.210 3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.473 -1.452 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.147 0.128 7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.011 0.992 5.843 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.912 -3.459 2.819 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.833 -4.903 2.834 1.00 0.00 C ATOM 1138 C TYR A 73 -8.473 -5.380 2.322 1.00 0.00 C ATOM 1139 O TYR A 73 -7.846 -6.203 2.958 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.972 -5.519 2.011 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.098 -7.032 2.139 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.811 -7.593 3.189 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.518 -7.890 1.211 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.946 -8.963 3.313 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.653 -9.261 1.325 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.366 -9.792 2.378 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.520 -11.159 2.483 1.00 0.00 O ATOM 0 H TYR A 73 -10.602 -3.086 2.167 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.941 -5.237 3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.913 -5.062 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.822 -5.267 0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.269 -6.947 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.953 -7.479 0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.503 -9.381 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.202 -9.913 0.592 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.050 -11.599 1.744 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.015 -4.844 1.190 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.716 -5.232 0.630 1.00 0.00 C ATOM 1159 C LEU A 74 -5.547 -4.840 1.529 1.00 0.00 C ATOM 1160 O LEU A 74 -4.573 -5.594 1.633 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.481 -4.788 -0.835 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.171 -5.608 -1.968 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.821 -7.075 -1.875 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.674 -5.433 -2.003 1.00 0.00 C ATOM 0 H LEU A 74 -8.519 -4.145 0.645 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.759 -6.321 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.807 -3.752 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.407 -4.801 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.781 -5.205 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.317 -7.619 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.742 -7.198 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.151 -7.467 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.091 -6.030 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.101 -5.760 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.914 -4.382 -2.166 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.639 -3.669 2.177 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.620 -3.234 3.153 1.00 0.00 C ATOM 1178 C ILE A 75 -4.455 -4.324 4.229 1.00 0.00 C ATOM 1179 O ILE A 75 -3.334 -4.739 4.563 1.00 0.00 O ATOM 1180 CB ILE A 75 -5.016 -1.881 3.856 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.074 -0.725 2.836 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -4.048 -1.542 4.997 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.509 0.609 3.421 1.00 0.00 C ATOM 0 H ILE A 75 -6.404 -3.007 2.046 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.687 -3.074 2.612 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.010 -2.012 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.089 -0.606 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.761 -0.998 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.348 -0.603 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.069 -2.338 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.038 -1.443 4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.522 1.364 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.508 0.511 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.810 0.909 4.201 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.583 -4.810 4.720 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.601 -5.844 5.734 1.00 0.00 C ATOM 1197 C GLN A 76 -5.243 -7.210 5.150 1.00 0.00 C ATOM 1198 O GLN A 76 -4.533 -7.971 5.766 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.959 -5.889 6.428 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.299 -4.605 7.172 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.339 -4.301 8.309 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -5.313 -3.640 8.132 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -6.659 -4.774 9.484 1.00 0.00 N ATOM 0 H GLN A 76 -6.508 -4.498 4.426 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.841 -5.597 6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.732 -6.086 5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.973 -6.722 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.294 -3.773 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.311 -4.680 7.570 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.514 -5.317 9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.053 -4.600 10.286 1.00 0.00 H new ATOM 1212 N MET A 77 -5.703 -7.482 3.948 1.00 0.00 N ATOM 1213 CA MET A 77 -5.468 -8.753 3.242 1.00 0.00 C ATOM 1214 C MET A 77 -3.958 -8.974 3.074 1.00 0.00 C ATOM 1215 O MET A 77 -3.436 -10.084 3.311 1.00 0.00 O ATOM 1216 CB MET A 77 -6.195 -8.680 1.878 1.00 0.00 C ATOM 1217 CG MET A 77 -6.324 -9.968 1.062 1.00 0.00 C ATOM 1218 SD MET A 77 -4.794 -10.554 0.321 1.00 0.00 S ATOM 1219 CE MET A 77 -5.442 -11.870 -0.712 1.00 0.00 C ATOM 0 H MET A 77 -6.264 -6.821 3.411 1.00 0.00 H new ATOM 0 HA MET A 77 -5.859 -9.599 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.199 -8.295 2.055 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.676 -7.945 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.721 -10.751 1.708 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.055 -9.807 0.270 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.623 -12.347 -1.250 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.945 -12.608 -0.088 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.152 -11.455 -1.427 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.257 -7.898 2.737 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.809 -7.915 2.611 1.00 0.00 C ATOM 1231 C ALA A 78 -1.161 -8.104 3.976 1.00 0.00 C ATOM 1232 O ALA A 78 -0.136 -8.772 4.103 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.319 -6.626 1.969 1.00 0.00 C ATOM 0 H ALA A 78 -3.679 -6.990 2.544 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.526 -8.752 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.233 -6.653 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.761 -6.522 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.612 -5.777 2.587 1.00 0.00 H new ATOM 1353 N LYS A 86 0.395 -10.661 -7.569 1.00 0.00 N ATOM 1354 CA LYS A 86 -0.710 -9.905 -8.139 1.00 0.00 C ATOM 1355 C LYS A 86 -1.969 -10.750 -8.390 1.00 0.00 C ATOM 1356 O LYS A 86 -1.919 -11.812 -9.030 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.322 -9.164 -9.433 1.00 0.00 C ATOM 1358 CG LYS A 86 0.642 -7.977 -9.287 1.00 0.00 C ATOM 1359 CD LYS A 86 2.079 -8.416 -9.163 1.00 0.00 C ATOM 1360 CE LYS A 86 3.025 -7.242 -8.992 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.820 -6.552 -7.707 1.00 0.00 N ATOM 0 HA LYS A 86 -0.951 -9.168 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.127 -9.885 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.236 -8.804 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.539 -7.320 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.366 -7.394 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.179 -9.088 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.362 -8.982 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.055 -7.594 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.879 -6.536 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.741 -6.285 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.248 -5.697 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.326 -7.186 -7.047 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.065 -10.282 -7.847 1.00 0.00 N ATOM 1376 CA VAL A 87 -4.379 -10.858 -8.034 1.00 0.00 C ATOM 1377 C VAL A 87 -5.068 -10.069 -9.144 1.00 0.00 C ATOM 1378 O VAL A 87 -4.950 -8.834 -9.193 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.225 -10.762 -6.724 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -6.603 -11.395 -6.896 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -4.490 -11.405 -5.555 1.00 0.00 C ATOM 0 H VAL A 87 -3.070 -9.461 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.287 -11.913 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.368 -9.703 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.162 -11.309 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.143 -10.881 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.490 -12.448 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.099 -11.326 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.304 -12.456 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.540 -10.894 -5.397 1.00 0.00 H new ATOM 1391 N SER A 88 -5.761 -10.756 -10.017 1.00 0.00 N ATOM 1392 CA SER A 88 -6.390 -10.138 -11.158 1.00 0.00 C ATOM 1393 C SER A 88 -7.782 -9.564 -10.810 1.00 0.00 C ATOM 1394 O SER A 88 -8.218 -9.599 -9.645 1.00 0.00 O ATOM 1395 CB SER A 88 -6.484 -11.166 -12.282 1.00 0.00 C ATOM 1396 OG SER A 88 -5.213 -11.757 -12.529 1.00 0.00 O ATOM 0 H SER A 88 -5.906 -11.764 -9.956 1.00 0.00 H new ATOM 0 HA SER A 88 -5.782 -9.293 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.205 -11.939 -12.016 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.851 -10.687 -13.190 1.00 0.00 H new ATOM 0 HG SER A 88 -5.293 -12.415 -13.251 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.469 -9.042 -11.833 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.780 -8.411 -11.682 1.00 0.00 C ATOM 1404 C GLU A 89 -10.798 -9.317 -11.039 1.00 0.00 C ATOM 1405 O GLU A 89 -11.539 -8.877 -10.176 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.310 -7.966 -13.024 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.529 -6.860 -13.663 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.980 -6.625 -15.062 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.956 -5.897 -15.264 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.386 -7.220 -15.993 1.00 0.00 O ATOM 0 H GLU A 89 -8.126 -9.047 -12.794 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.629 -7.554 -11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.322 -8.822 -13.698 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.344 -7.641 -12.903 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.645 -5.945 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.468 -7.109 -13.657 1.00 0.00 H new ATOM 1417 N GLN A 90 -10.825 -10.582 -11.452 1.00 0.00 N ATOM 1418 CA GLN A 90 -11.816 -11.529 -10.948 1.00 0.00 C ATOM 1419 C GLN A 90 -11.774 -11.645 -9.436 1.00 0.00 C ATOM 1420 O GLN A 90 -12.820 -11.618 -8.793 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.696 -12.901 -11.608 1.00 0.00 C ATOM 1422 CG GLN A 90 -11.909 -12.859 -13.107 1.00 0.00 C ATOM 1423 CD GLN A 90 -11.911 -14.222 -13.755 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -11.268 -15.166 -13.277 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -12.612 -14.338 -14.851 1.00 0.00 N ATOM 0 H GLN A 90 -10.174 -10.974 -12.132 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.790 -11.124 -11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.709 -13.313 -11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.425 -13.577 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.857 -12.365 -13.317 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.126 -12.252 -13.560 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.129 -13.537 -15.213 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.643 -15.230 -15.345 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.574 -11.716 -8.876 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.421 -11.788 -7.435 1.00 0.00 C ATOM 1436 C GLY A 91 -10.937 -10.534 -6.756 1.00 0.00 C ATOM 1437 O GLY A 91 -11.605 -10.606 -5.721 1.00 0.00 O ATOM 0 H GLY A 91 -9.698 -11.725 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.959 -12.656 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.369 -11.930 -7.187 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.660 -9.387 -7.363 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.115 -8.102 -6.836 1.00 0.00 C ATOM 1443 C LEU A 92 -12.644 -8.023 -6.880 1.00 0.00 C ATOM 1444 O LEU A 92 -13.275 -7.573 -5.931 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.499 -6.934 -7.620 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.886 -5.525 -7.141 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.351 -5.249 -5.739 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.405 -4.471 -8.119 1.00 0.00 C ATOM 0 H LEU A 92 -10.120 -9.318 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.786 -8.025 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.414 -7.026 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.787 -7.033 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.974 -5.477 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.642 -4.245 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.765 -5.978 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.264 -5.327 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.691 -3.483 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.320 -4.525 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.858 -4.646 -9.095 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.227 -8.500 -7.973 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.680 -8.517 -8.148 1.00 0.00 C ATOM 1462 C ILE A 93 -15.342 -9.423 -7.088 1.00 0.00 C ATOM 1463 O ILE A 93 -16.472 -9.170 -6.643 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.074 -8.961 -9.596 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.509 -7.959 -10.620 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.596 -9.083 -9.755 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.745 -8.341 -12.066 1.00 0.00 C ATOM 0 H ILE A 93 -12.710 -8.886 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.049 -7.501 -8.007 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.644 -9.946 -9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -14.956 -6.981 -10.438 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.437 -7.855 -10.455 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.832 -9.393 -10.773 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.977 -9.824 -9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.061 -8.118 -9.553 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.315 -7.581 -12.718 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.274 -9.303 -12.270 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.816 -8.415 -12.253 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.634 -10.454 -6.672 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.116 -11.325 -5.621 1.00 0.00 C ATOM 1481 C GLU A 94 -15.127 -10.572 -4.291 1.00 0.00 C ATOM 1482 O GLU A 94 -16.118 -10.593 -3.558 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.268 -12.593 -5.513 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.268 -13.455 -6.769 1.00 0.00 C ATOM 1485 CD GLU A 94 -15.657 -13.854 -7.197 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.201 -14.834 -6.638 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.240 -13.183 -8.084 1.00 0.00 O ATOM 0 H GLU A 94 -13.721 -10.709 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.132 -11.631 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.241 -12.311 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -14.632 -13.190 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.784 -12.910 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.675 -14.352 -6.590 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.036 -9.867 -4.022 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.895 -9.056 -2.812 1.00 0.00 C ATOM 1496 C ILE A 95 -14.945 -7.940 -2.794 1.00 0.00 C ATOM 1497 O ILE A 95 -15.524 -7.614 -1.743 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.459 -8.450 -2.708 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.421 -9.578 -2.585 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.354 -7.473 -1.544 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -9.981 -9.107 -2.597 1.00 0.00 C ATOM 0 H ILE A 95 -13.221 -9.839 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.054 -9.704 -1.950 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.254 -7.888 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.604 -10.125 -1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.567 -10.281 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.343 -7.069 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.064 -6.659 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.580 -7.992 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.316 -9.966 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.776 -8.587 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.813 -8.428 -1.761 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.211 -7.401 -3.967 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.177 -6.342 -4.154 1.00 0.00 C ATOM 1515 C LEU A 96 -17.572 -6.764 -3.674 1.00 0.00 C ATOM 1516 O LEU A 96 -18.280 -5.965 -3.066 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.220 -5.914 -5.627 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.120 -4.723 -5.972 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.633 -3.453 -5.283 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.183 -4.526 -7.479 1.00 0.00 C ATOM 0 H LEU A 96 -14.753 -7.693 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.863 -5.491 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.204 -5.675 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.545 -6.769 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.125 -4.938 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.289 -2.623 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.644 -3.598 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.617 -3.229 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.826 -3.676 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.181 -4.337 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.587 -5.424 -7.947 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.946 -8.035 -3.903 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.276 -8.519 -3.486 1.00 0.00 C ATOM 1534 C LYS A 97 -19.381 -8.448 -1.974 1.00 0.00 C ATOM 1535 O LYS A 97 -20.386 -7.971 -1.418 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.511 -9.986 -3.841 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.103 -10.440 -5.212 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.587 -11.863 -5.417 1.00 0.00 C ATOM 1539 CE LYS A 97 -18.738 -12.631 -6.396 1.00 0.00 C ATOM 1540 NZ LYS A 97 -18.565 -11.957 -7.693 1.00 0.00 N ATOM 0 H LYS A 97 -17.362 -8.733 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.003 -7.892 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.980 -10.598 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.574 -10.196 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.529 -9.783 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.019 -10.390 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.590 -12.383 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.617 -11.844 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.757 -12.804 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.189 -13.609 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.840 -12.454 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.466 -11.966 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.266 -10.973 -7.536 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.308 -8.903 -1.334 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.213 -9.027 0.106 1.00 0.00 C ATOM 1556 C LYS A 98 -18.421 -7.672 0.765 1.00 0.00 C ATOM 1557 O LYS A 98 -19.291 -7.518 1.620 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.832 -9.613 0.482 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.490 -10.906 -0.270 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.084 -11.447 0.046 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.986 -12.031 1.448 1.00 0.00 C ATOM 1562 NZ LYS A 98 -13.660 -12.646 1.708 1.00 0.00 N ATOM 0 H LYS A 98 -17.462 -9.202 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.991 -9.701 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.062 -8.869 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.809 -9.809 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.228 -11.668 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.568 -10.725 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.821 -12.214 -0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.356 -10.643 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.170 -11.245 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.765 -12.781 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.746 -13.347 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.319 -13.115 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.984 -11.908 1.991 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.678 -6.680 0.304 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.736 -5.336 0.880 1.00 0.00 C ATOM 1578 C VAL A 99 -19.003 -4.570 0.484 1.00 0.00 C ATOM 1579 O VAL A 99 -19.368 -3.593 1.138 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.482 -4.494 0.550 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.225 -5.142 1.116 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.342 -4.281 -0.946 1.00 0.00 C ATOM 0 H VAL A 99 -17.022 -6.776 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.766 -5.493 1.958 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.607 -3.519 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.358 -4.530 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.315 -5.225 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.102 -6.135 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.451 -3.686 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.253 -5.246 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.221 -3.758 -1.323 1.00 0.00 H new ATOM 1592 N SER A 100 -19.656 -4.990 -0.593 1.00 0.00 N ATOM 1593 CA SER A 100 -20.893 -4.380 -1.005 1.00 0.00 C ATOM 1594 C SER A 100 -22.018 -4.681 -0.022 1.00 0.00 C ATOM 1595 O SER A 100 -22.942 -3.890 0.136 1.00 0.00 O ATOM 1596 CB SER A 100 -21.268 -4.807 -2.423 1.00 0.00 C ATOM 1597 OG SER A 100 -20.315 -4.338 -3.378 1.00 0.00 O ATOM 0 H SER A 100 -19.340 -5.753 -1.191 1.00 0.00 H new ATOM 0 HA SER A 100 -20.744 -3.300 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.330 -5.894 -2.473 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.256 -4.419 -2.672 1.00 0.00 H new ATOM 0 HG SER A 100 -19.620 -5.017 -3.507 1.00 0.00 H new