USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= -0.63 K(o=0.68,f=-4.5!) USER MOD Set 1.2: A 79 SER OG : rot -61:sc= 1.31 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.08 (180deg=0) USER MOD Single : A 2 SER OG : rot -110:sc= 0 USER MOD Single : A 3 SER OG : rot -160:sc= 1.23 USER MOD Single : A 5 SER OG : rot 34:sc= 0.161 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0851 K(o=-0.085,f=-1.4!) USER MOD Single : A 13 SER OG : rot -94:sc= 1.1 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.771 F(o=-2,f=-0.77) USER MOD Single : A 21 SER OG : rot 112:sc= 1.36 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 46 THR OG1 : rot -99:sc= -1.96! USER MOD Single : A 47 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.66) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -7.12! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.21 K(o=-2.2,f=-5.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -8.79! C(o=-8.8!,f=-17!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0614 K(o=-0.061,f=-0.73) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 74:sc= 0.953 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.0034) USER MOD Single : A 107 TYR OH : rot -168:sc= 0.358 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.890 -12.063 14.018 1.00 0.00 N ATOM 2 CA GLY A 1 -7.204 -11.113 12.964 1.00 0.00 C ATOM 3 C GLY A 1 -7.042 -9.674 13.458 1.00 0.00 C ATOM 4 O GLY A 1 -6.312 -9.420 14.414 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.220 -12.772 13.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.463 -11.561 14.822 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.762 -12.537 14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.550 -11.284 12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.226 -11.270 12.620 1.00 0.00 H new ATOM 8 N SER A 2 -7.736 -8.769 12.783 1.00 0.00 N ATOM 9 CA SER A 2 -7.679 -7.362 13.140 1.00 0.00 C ATOM 10 C SER A 2 -8.645 -6.560 12.266 1.00 0.00 C ATOM 11 O SER A 2 -9.548 -5.900 12.777 1.00 0.00 O ATOM 12 CB SER A 2 -6.257 -6.816 13.000 1.00 0.00 C ATOM 13 OG SER A 2 -6.164 -5.456 13.416 1.00 0.00 O ATOM 0 H SER A 2 -8.341 -8.983 11.990 1.00 0.00 H new ATOM 0 HA SER A 2 -7.976 -7.262 14.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.575 -7.424 13.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.937 -6.900 11.961 1.00 0.00 H new ATOM 0 HG SER A 2 -6.012 -4.885 12.635 1.00 0.00 H new ATOM 19 N SER A 3 -8.421 -6.644 10.962 1.00 0.00 N ATOM 20 CA SER A 3 -9.260 -5.934 10.012 1.00 0.00 C ATOM 21 C SER A 3 -10.463 -6.799 9.628 1.00 0.00 C ATOM 22 O SER A 3 -10.465 -8.006 9.865 1.00 0.00 O ATOM 23 CB SER A 3 -8.468 -5.542 8.763 1.00 0.00 C ATOM 24 OG SER A 3 -8.239 -6.656 7.905 1.00 0.00 O ATOM 0 H SER A 3 -7.671 -7.193 10.542 1.00 0.00 H new ATOM 0 HA SER A 3 -9.615 -5.019 10.486 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.010 -4.770 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.512 -5.111 9.060 1.00 0.00 H new ATOM 0 HG SER A 3 -7.490 -6.458 7.305 1.00 0.00 H new ATOM 30 N GLY A 4 -11.456 -6.148 9.040 1.00 0.00 N ATOM 31 CA GLY A 4 -12.661 -6.842 8.621 1.00 0.00 C ATOM 32 C GLY A 4 -12.318 -8.113 7.841 1.00 0.00 C ATOM 33 O GLY A 4 -11.513 -8.078 6.912 1.00 0.00 O ATOM 0 H GLY A 4 -11.450 -5.147 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.260 -7.098 9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.268 -6.183 8.000 1.00 0.00 H new ATOM 37 N SER A 5 -12.948 -9.206 8.248 1.00 0.00 N ATOM 38 CA SER A 5 -12.720 -10.486 7.599 1.00 0.00 C ATOM 39 C SER A 5 -14.047 -11.066 7.104 1.00 0.00 C ATOM 40 O SER A 5 -14.991 -11.212 7.879 1.00 0.00 O ATOM 41 CB SER A 5 -12.032 -11.470 8.548 1.00 0.00 C ATOM 42 OG SER A 5 -12.842 -11.776 9.679 1.00 0.00 O ATOM 0 H SER A 5 -13.616 -9.231 9.019 1.00 0.00 H new ATOM 0 HA SER A 5 -12.061 -10.324 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.798 -12.389 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.085 -11.048 8.884 1.00 0.00 H new ATOM 0 HG SER A 5 -13.786 -11.778 9.415 1.00 0.00 H new ATOM 48 N SER A 6 -14.075 -11.381 5.818 1.00 0.00 N ATOM 49 CA SER A 6 -15.270 -11.942 5.211 1.00 0.00 C ATOM 50 C SER A 6 -15.009 -13.385 4.775 1.00 0.00 C ATOM 51 O SER A 6 -15.699 -14.304 5.212 1.00 0.00 O ATOM 52 CB SER A 6 -15.728 -11.102 4.017 1.00 0.00 C ATOM 53 OG SER A 6 -16.830 -11.696 3.336 1.00 0.00 O ATOM 0 H SER A 6 -13.289 -11.259 5.179 1.00 0.00 H new ATOM 0 HA SER A 6 -16.067 -11.933 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.009 -10.106 4.361 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.898 -10.977 3.322 1.00 0.00 H new ATOM 0 HG SER A 6 -17.093 -11.128 2.582 1.00 0.00 H new ATOM 59 N GLY A 7 -14.009 -13.539 3.919 1.00 0.00 N ATOM 60 CA GLY A 7 -13.647 -14.854 3.420 1.00 0.00 C ATOM 61 C GLY A 7 -14.838 -15.526 2.733 1.00 0.00 C ATOM 62 O GLY A 7 -15.979 -15.099 2.901 1.00 0.00 O ATOM 0 H GLY A 7 -13.438 -12.774 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.819 -14.765 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.299 -15.477 4.244 1.00 0.00 H new ATOM 66 N MET A 8 -14.531 -16.567 1.973 1.00 0.00 N ATOM 67 CA MET A 8 -15.562 -17.303 1.259 1.00 0.00 C ATOM 68 C MET A 8 -15.091 -18.719 0.923 1.00 0.00 C ATOM 69 O MET A 8 -15.749 -19.696 1.279 1.00 0.00 O ATOM 70 CB MET A 8 -15.916 -16.562 -0.032 1.00 0.00 C ATOM 71 CG MET A 8 -17.432 -16.421 -0.184 1.00 0.00 C ATOM 72 SD MET A 8 -17.839 -16.000 -1.870 1.00 0.00 S ATOM 73 CE MET A 8 -19.606 -15.798 -1.721 1.00 0.00 C ATOM 0 H MET A 8 -13.583 -16.919 1.836 1.00 0.00 H new ATOM 0 HA MET A 8 -16.441 -17.375 1.899 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.454 -15.575 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.509 -17.101 -0.888 1.00 0.00 H new ATOM 0 HG2 MET A 8 -17.922 -17.354 0.095 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.804 -15.651 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 8 -20.025 -15.531 -2.691 1.00 0.00 H new ATOM 0 HE2 MET A 8 -20.051 -16.732 -1.378 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.823 -15.007 -1.003 1.00 0.00 H new ATOM 83 N SER A 9 -13.957 -18.786 0.242 1.00 0.00 N ATOM 84 CA SER A 9 -13.391 -20.066 -0.146 1.00 0.00 C ATOM 85 C SER A 9 -12.175 -19.849 -1.048 1.00 0.00 C ATOM 86 O SER A 9 -12.160 -18.930 -1.865 1.00 0.00 O ATOM 87 CB SER A 9 -14.431 -20.935 -0.857 1.00 0.00 C ATOM 88 OG SER A 9 -14.542 -22.227 -0.265 1.00 0.00 O ATOM 0 H SER A 9 -13.414 -17.974 -0.051 1.00 0.00 H new ATOM 0 HA SER A 9 -13.076 -20.589 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.401 -20.438 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.159 -21.040 -1.907 1.00 0.00 H new ATOM 0 HG SER A 9 -15.217 -22.750 -0.746 1.00 0.00 H new ATOM 94 N GLN A 10 -11.184 -20.711 -0.870 1.00 0.00 N ATOM 95 CA GLN A 10 -9.967 -20.625 -1.658 1.00 0.00 C ATOM 96 C GLN A 10 -10.304 -20.477 -3.143 1.00 0.00 C ATOM 97 O GLN A 10 -10.589 -19.375 -3.611 1.00 0.00 O ATOM 98 CB GLN A 10 -9.071 -21.843 -1.419 1.00 0.00 C ATOM 99 CG GLN A 10 -8.246 -21.673 -0.142 1.00 0.00 C ATOM 100 CD GLN A 10 -7.013 -22.579 -0.162 1.00 0.00 C ATOM 101 OE1 GLN A 10 -6.443 -22.872 -1.201 1.00 0.00 O ATOM 102 NE2 GLN A 10 -6.634 -23.004 1.039 1.00 0.00 N ATOM 0 H GLN A 10 -11.200 -21.472 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.415 -19.740 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.684 -22.741 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.405 -21.982 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.936 -20.633 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.861 -21.908 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.156 -22.721 1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.821 -23.613 1.131 1.00 0.00 H new ATOM 111 N LEU A 11 -10.262 -21.601 -3.842 1.00 0.00 N ATOM 112 CA LEU A 11 -10.560 -21.610 -5.264 1.00 0.00 C ATOM 113 C LEU A 11 -11.739 -20.674 -5.540 1.00 0.00 C ATOM 114 O LEU A 11 -12.826 -20.862 -4.994 1.00 0.00 O ATOM 115 CB LEU A 11 -10.783 -23.041 -5.756 1.00 0.00 C ATOM 116 CG LEU A 11 -9.599 -23.997 -5.599 1.00 0.00 C ATOM 117 CD1 LEU A 11 -10.039 -25.451 -5.785 1.00 0.00 C ATOM 118 CD2 LEU A 11 -8.459 -23.618 -6.546 1.00 0.00 C ATOM 0 H LEU A 11 -10.026 -22.513 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.711 -21.231 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.635 -23.459 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.056 -23.003 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.218 -23.904 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.178 -26.109 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.792 -25.702 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.461 -25.579 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.630 -24.313 -6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.811 -23.665 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.122 -22.606 -6.323 1.00 0.00 H new ATOM 130 N GLY A 12 -11.484 -19.687 -6.386 1.00 0.00 N ATOM 131 CA GLY A 12 -12.511 -18.722 -6.740 1.00 0.00 C ATOM 132 C GLY A 12 -12.141 -17.322 -6.246 1.00 0.00 C ATOM 133 O GLY A 12 -11.722 -16.473 -7.031 1.00 0.00 O ATOM 0 H GLY A 12 -10.582 -19.535 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.643 -18.707 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.464 -19.024 -6.307 1.00 0.00 H new ATOM 137 N SER A 13 -12.309 -17.123 -4.947 1.00 0.00 N ATOM 138 CA SER A 13 -11.998 -15.841 -4.339 1.00 0.00 C ATOM 139 C SER A 13 -10.708 -15.277 -4.937 1.00 0.00 C ATOM 140 O SER A 13 -9.725 -16.000 -5.096 1.00 0.00 O ATOM 141 CB SER A 13 -11.867 -15.969 -2.820 1.00 0.00 C ATOM 142 OG SER A 13 -10.692 -16.681 -2.444 1.00 0.00 O ATOM 0 H SER A 13 -12.657 -17.829 -4.298 1.00 0.00 H new ATOM 0 HA SER A 13 -12.819 -15.155 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.847 -14.975 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.744 -16.480 -2.422 1.00 0.00 H new ATOM 0 HG SER A 13 -10.909 -17.629 -2.322 1.00 0.00 H new ATOM 148 N ARG A 14 -10.753 -13.991 -5.254 1.00 0.00 N ATOM 149 CA ARG A 14 -9.600 -13.322 -5.832 1.00 0.00 C ATOM 150 C ARG A 14 -8.686 -12.791 -4.726 1.00 0.00 C ATOM 151 O ARG A 14 -9.127 -12.584 -3.597 1.00 0.00 O ATOM 152 CB ARG A 14 -10.030 -12.161 -6.731 1.00 0.00 C ATOM 153 CG ARG A 14 -10.261 -12.636 -8.167 1.00 0.00 C ATOM 154 CD ARG A 14 -9.521 -11.743 -9.165 1.00 0.00 C ATOM 155 NE ARG A 14 -9.655 -12.294 -10.532 1.00 0.00 N ATOM 156 CZ ARG A 14 -10.713 -12.084 -11.327 1.00 0.00 C ATOM 157 NH1 ARG A 14 -11.737 -11.334 -10.895 1.00 0.00 N ATOM 158 NH2 ARG A 14 -10.748 -12.623 -12.553 1.00 0.00 N ATOM 0 H ARG A 14 -11.570 -13.395 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.060 -14.052 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.944 -11.713 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.265 -11.385 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.920 -13.666 -8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.328 -12.629 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.926 -10.731 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.468 -11.674 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.894 -12.870 -10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.710 -10.924 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.543 -11.174 -11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.969 -13.194 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.554 -12.463 -13.158 1.00 0.00 H new ATOM 172 N GLY A 15 -7.428 -12.584 -5.090 1.00 0.00 N ATOM 173 CA GLY A 15 -6.448 -12.080 -4.143 1.00 0.00 C ATOM 174 C GLY A 15 -6.894 -10.741 -3.553 1.00 0.00 C ATOM 175 O GLY A 15 -7.900 -10.176 -3.977 1.00 0.00 O ATOM 0 H GLY A 15 -7.066 -12.756 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.305 -12.805 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.485 -11.960 -4.640 1.00 0.00 H new ATOM 179 N ARG A 16 -6.123 -10.273 -2.582 1.00 0.00 N ATOM 180 CA ARG A 16 -6.427 -9.011 -1.929 1.00 0.00 C ATOM 181 C ARG A 16 -5.138 -8.237 -1.646 1.00 0.00 C ATOM 182 O ARG A 16 -4.195 -8.782 -1.073 1.00 0.00 O ATOM 183 CB ARG A 16 -7.176 -9.237 -0.614 1.00 0.00 C ATOM 184 CG ARG A 16 -8.325 -10.231 -0.802 1.00 0.00 C ATOM 185 CD ARG A 16 -9.545 -9.548 -1.422 1.00 0.00 C ATOM 186 NE ARG A 16 -10.629 -10.535 -1.626 1.00 0.00 N ATOM 187 CZ ARG A 16 -11.471 -10.936 -0.664 1.00 0.00 C ATOM 188 NH1 ARG A 16 -11.360 -10.437 0.575 1.00 0.00 N ATOM 189 NH2 ARG A 16 -12.424 -11.837 -0.940 1.00 0.00 N ATOM 0 H ARG A 16 -5.289 -10.745 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.062 -8.434 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.486 -9.612 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.567 -8.288 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.000 -11.052 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.597 -10.665 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.891 -8.744 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.272 -9.093 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.742 -10.935 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.634 -9.752 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.001 -10.742 1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.508 -12.218 -1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.065 -12.142 -0.207 1.00 0.00 H new ATOM 203 N LEU A 17 -5.138 -6.978 -2.060 1.00 0.00 N ATOM 204 CA LEU A 17 -3.980 -6.124 -1.858 1.00 0.00 C ATOM 205 C LEU A 17 -3.996 -5.580 -0.428 1.00 0.00 C ATOM 206 O LEU A 17 -5.061 -5.303 0.123 1.00 0.00 O ATOM 207 CB LEU A 17 -3.925 -5.034 -2.930 1.00 0.00 C ATOM 208 CG LEU A 17 -3.590 -5.503 -4.347 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.388 -4.716 -5.389 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.084 -5.433 -4.606 1.00 0.00 C ATOM 0 H LEU A 17 -5.922 -6.529 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.060 -6.697 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.890 -4.528 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.184 -4.293 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.884 -6.548 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.131 -5.070 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.454 -4.861 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.148 -3.656 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.873 -5.772 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.742 -4.405 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.562 -6.072 -3.894 1.00 0.00 H new ATOM 222 N TRP A 18 -2.804 -5.443 0.133 1.00 0.00 N ATOM 223 CA TRP A 18 -2.667 -4.937 1.488 1.00 0.00 C ATOM 224 C TRP A 18 -1.195 -4.592 1.718 1.00 0.00 C ATOM 225 O TRP A 18 -0.318 -5.100 1.021 1.00 0.00 O ATOM 226 CB TRP A 18 -3.211 -5.942 2.505 1.00 0.00 C ATOM 227 CG TRP A 18 -2.689 -7.367 2.313 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.245 -8.362 1.608 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.475 -7.920 2.865 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.483 -9.510 1.665 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.372 -9.233 2.454 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.497 -7.330 3.685 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.306 -10.067 2.812 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.562 -8.177 4.034 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.680 -9.501 3.628 1.00 0.00 C ATOM 0 H TRP A 18 -1.923 -5.674 -0.327 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.261 -4.033 1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.953 -5.604 3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.299 -5.953 2.443 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.174 -8.276 1.063 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.695 -10.399 1.212 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.558 -6.305 4.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.248 -11.092 2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.342 -7.773 4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.529 -10.091 3.941 1.00 0.00 H new ATOM 246 N LEU A 19 -0.968 -3.729 2.697 1.00 0.00 N ATOM 247 CA LEU A 19 0.383 -3.309 3.028 1.00 0.00 C ATOM 248 C LEU A 19 0.881 -4.111 4.232 1.00 0.00 C ATOM 249 O LEU A 19 0.110 -4.418 5.140 1.00 0.00 O ATOM 250 CB LEU A 19 0.439 -1.794 3.232 1.00 0.00 C ATOM 251 CG LEU A 19 -0.218 -0.946 2.141 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.470 0.481 2.633 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.610 -0.971 0.854 1.00 0.00 C ATOM 0 H LEU A 19 -1.698 -3.309 3.272 1.00 0.00 H new ATOM 0 HA LEU A 19 1.061 -3.521 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.036 -1.558 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.484 -1.497 3.315 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.189 -1.382 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.938 1.063 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.130 0.456 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.477 0.943 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.121 -0.361 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.605 -0.573 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.694 -1.997 0.496 1.00 0.00 H new ATOM 265 N GLN A 20 2.168 -4.427 4.201 1.00 0.00 N ATOM 266 CA GLN A 20 2.778 -5.186 5.278 1.00 0.00 C ATOM 267 C GLN A 20 3.756 -4.307 6.060 1.00 0.00 C ATOM 268 O GLN A 20 4.877 -4.069 5.612 1.00 0.00 O ATOM 269 CB GLN A 20 3.475 -6.438 4.741 1.00 0.00 C ATOM 270 CG GLN A 20 3.579 -7.515 5.822 1.00 0.00 C ATOM 271 CD GLN A 20 3.675 -8.909 5.200 1.00 0.00 C ATOM 272 OE1 GLN A 20 4.377 -8.951 4.071 1.00 0.00 O flip ATOM 273 NE2 GLN A 20 3.147 -9.883 5.711 1.00 0.00 N flip ATOM 0 H GLN A 20 2.804 -4.171 3.446 1.00 0.00 H new ATOM 0 HA GLN A 20 1.990 -5.512 5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.922 -6.828 3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.472 -6.179 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.455 -7.329 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.709 -7.464 6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.622 -9.781 6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.231 -10.799 5.270 1.00 0.00 H new ATOM 282 N SER A 21 3.297 -3.849 7.215 1.00 0.00 N ATOM 283 CA SER A 21 4.118 -3.001 8.063 1.00 0.00 C ATOM 284 C SER A 21 5.221 -3.831 8.722 1.00 0.00 C ATOM 285 O SER A 21 5.031 -5.014 9.001 1.00 0.00 O ATOM 286 CB SER A 21 3.270 -2.304 9.130 1.00 0.00 C ATOM 287 OG SER A 21 1.931 -2.790 9.150 1.00 0.00 O ATOM 0 H SER A 21 2.367 -4.049 7.584 1.00 0.00 H new ATOM 0 HA SER A 21 4.574 -2.232 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.725 -2.454 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.263 -1.230 8.943 1.00 0.00 H new ATOM 0 HG SER A 21 1.772 -3.277 9.986 1.00 0.00 H new ATOM 293 N PRO A 22 6.382 -3.161 8.956 1.00 0.00 N ATOM 294 CA PRO A 22 7.516 -3.824 9.577 1.00 0.00 C ATOM 295 C PRO A 22 7.285 -4.019 11.076 1.00 0.00 C ATOM 296 O PRO A 22 6.412 -3.380 11.662 1.00 0.00 O ATOM 297 CB PRO A 22 8.708 -2.933 9.271 1.00 0.00 C ATOM 298 CG PRO A 22 8.130 -1.578 8.895 1.00 0.00 C ATOM 299 CD PRO A 22 6.643 -1.760 8.639 1.00 0.00 C ATOM 0 HA PRO A 22 7.678 -4.830 9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.366 -2.850 10.136 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.303 -3.344 8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.294 -0.857 9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.625 -1.185 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.049 -1.095 9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.389 -1.534 7.603 1.00 0.00 H new ATOM 307 N THR A 23 8.082 -4.905 11.656 1.00 0.00 N ATOM 308 CA THR A 23 7.975 -5.192 13.076 1.00 0.00 C ATOM 309 C THR A 23 7.745 -3.901 13.865 1.00 0.00 C ATOM 310 O THR A 23 8.091 -2.816 13.401 1.00 0.00 O ATOM 311 CB THR A 23 9.234 -5.949 13.502 1.00 0.00 C ATOM 312 OG1 THR A 23 9.116 -7.212 12.854 1.00 0.00 O ATOM 313 CG2 THR A 23 9.235 -6.293 14.992 1.00 0.00 C ATOM 0 H THR A 23 8.805 -5.434 11.168 1.00 0.00 H new ATOM 0 HA THR A 23 7.112 -5.823 13.288 1.00 0.00 H new ATOM 0 HB THR A 23 10.114 -5.350 13.268 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.893 -7.767 13.075 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.151 -6.830 15.241 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.182 -5.375 15.577 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.373 -6.920 15.221 1.00 0.00 H new ATOM 321 N GLY A 24 7.164 -4.062 15.045 1.00 0.00 N ATOM 322 CA GLY A 24 6.884 -2.924 15.903 1.00 0.00 C ATOM 323 C GLY A 24 6.024 -1.888 15.176 1.00 0.00 C ATOM 324 O GLY A 24 6.348 -0.701 15.170 1.00 0.00 O ATOM 0 H GLY A 24 6.880 -4.964 15.427 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.371 -3.261 16.804 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.820 -2.466 16.222 1.00 0.00 H new ATOM 328 N GLY A 25 4.944 -2.374 14.582 1.00 0.00 N ATOM 329 CA GLY A 25 4.035 -1.506 13.854 1.00 0.00 C ATOM 330 C GLY A 25 2.614 -2.072 13.860 1.00 0.00 C ATOM 331 O GLY A 25 2.342 -3.071 14.524 1.00 0.00 O ATOM 0 H GLY A 25 4.678 -3.359 14.590 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.037 -0.513 14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.380 -1.392 12.827 1.00 0.00 H new ATOM 335 N PRO A 26 1.721 -1.392 13.091 1.00 0.00 N ATOM 336 CA PRO A 26 0.334 -1.817 13.001 1.00 0.00 C ATOM 337 C PRO A 26 0.198 -3.060 12.120 1.00 0.00 C ATOM 338 O PRO A 26 1.168 -3.496 11.502 1.00 0.00 O ATOM 339 CB PRO A 26 -0.411 -0.612 12.449 1.00 0.00 C ATOM 340 CG PRO A 26 0.646 0.278 11.817 1.00 0.00 C ATOM 341 CD PRO A 26 2.007 -0.204 12.291 1.00 0.00 C ATOM 0 HA PRO A 26 -0.078 -2.116 13.965 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.156 -0.917 11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.942 -0.085 13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.583 0.233 10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.489 1.318 12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.659 -0.440 11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.514 0.559 12.882 1.00 0.00 H new ATOM 349 N PRO A 27 -1.046 -3.609 12.089 1.00 0.00 N ATOM 350 CA PRO A 27 -1.322 -4.793 11.293 1.00 0.00 C ATOM 351 C PRO A 27 -1.399 -4.447 9.805 1.00 0.00 C ATOM 352 O PRO A 27 -1.354 -3.276 9.432 1.00 0.00 O ATOM 353 CB PRO A 27 -2.628 -5.342 11.845 1.00 0.00 C ATOM 354 CG PRO A 27 -3.271 -4.196 12.609 1.00 0.00 C ATOM 355 CD PRO A 27 -2.218 -3.118 12.808 1.00 0.00 C ATOM 0 HA PRO A 27 -0.531 -5.540 11.361 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.277 -5.688 11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.448 -6.195 12.499 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.123 -3.800 12.057 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.648 -4.543 13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.553 -2.159 12.412 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.000 -2.968 13.865 1.00 0.00 H new ATOM 363 N PRO A 28 -1.519 -5.516 8.972 1.00 0.00 N ATOM 364 CA PRO A 28 -1.603 -5.338 7.533 1.00 0.00 C ATOM 365 C PRO A 28 -2.984 -4.822 7.124 1.00 0.00 C ATOM 366 O PRO A 28 -3.978 -5.538 7.239 1.00 0.00 O ATOM 367 CB PRO A 28 -1.283 -6.703 6.948 1.00 0.00 C ATOM 368 CG PRO A 28 -1.487 -7.700 8.078 1.00 0.00 C ATOM 369 CD PRO A 28 -1.576 -6.917 9.378 1.00 0.00 C ATOM 0 HA PRO A 28 -0.906 -4.587 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.936 -6.929 6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.259 -6.738 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.397 -8.278 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.660 -8.410 8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.501 -7.138 9.910 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.754 -7.169 10.049 1.00 0.00 H new ATOM 377 N ILE A 29 -3.003 -3.582 6.657 1.00 0.00 N ATOM 378 CA ILE A 29 -4.246 -2.962 6.231 1.00 0.00 C ATOM 379 C ILE A 29 -4.548 -3.373 4.788 1.00 0.00 C ATOM 380 O ILE A 29 -3.634 -3.537 3.981 1.00 0.00 O ATOM 381 CB ILE A 29 -4.188 -1.447 6.439 1.00 0.00 C ATOM 382 CG1 ILE A 29 -3.995 -1.105 7.918 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.424 -0.765 5.849 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.619 -0.482 8.161 1.00 0.00 C ATOM 0 H ILE A 29 -2.177 -2.990 6.564 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.076 -3.313 6.844 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.321 -1.061 5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.773 -0.413 8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.101 -2.007 8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.358 0.311 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.476 -0.969 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.320 -1.150 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.507 -0.248 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.843 -1.186 7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.525 0.433 7.576 1.00 0.00 H new ATOM 396 N PHE A 30 -5.833 -3.527 4.507 1.00 0.00 N ATOM 397 CA PHE A 30 -6.267 -3.915 3.176 1.00 0.00 C ATOM 398 C PHE A 30 -6.839 -2.718 2.414 1.00 0.00 C ATOM 399 O PHE A 30 -7.916 -2.225 2.745 1.00 0.00 O ATOM 400 CB PHE A 30 -7.366 -4.965 3.352 1.00 0.00 C ATOM 401 CG PHE A 30 -6.875 -6.285 3.949 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.529 -6.350 5.263 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.785 -7.394 3.167 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.074 -7.575 5.817 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.330 -8.619 3.721 1.00 0.00 C ATOM 406 CZ PHE A 30 -5.984 -8.684 5.035 1.00 0.00 C ATOM 0 H PHE A 30 -6.588 -3.390 5.179 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.421 -4.302 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.146 -4.556 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.823 -5.164 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.601 -5.470 5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.060 -7.343 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.799 -7.626 6.860 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.258 -9.499 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.638 -9.616 5.457 1.00 0.00 H new ATOM 416 N LEU A 31 -6.093 -2.285 1.409 1.00 0.00 N ATOM 417 CA LEU A 31 -6.513 -1.155 0.598 1.00 0.00 C ATOM 418 C LEU A 31 -7.854 -1.478 -0.065 1.00 0.00 C ATOM 419 O LEU A 31 -8.223 -2.644 -0.189 1.00 0.00 O ATOM 420 CB LEU A 31 -5.414 -0.770 -0.395 1.00 0.00 C ATOM 421 CG LEU A 31 -3.976 -0.888 0.117 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.018 -0.066 -0.746 1.00 0.00 C ATOM 423 CD2 LEU A 31 -3.888 -0.506 1.596 1.00 0.00 C ATOM 0 H LEU A 31 -5.200 -2.696 1.138 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.669 -0.276 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.516 -1.397 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.583 0.259 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.668 -1.930 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.003 -0.167 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.054 -0.427 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.313 0.983 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.856 -0.598 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.222 0.523 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.523 -1.170 2.182 1.00 0.00 H new ATOM 435 N PRO A 32 -8.564 -0.396 -0.483 1.00 0.00 N ATOM 436 CA PRO A 32 -9.855 -0.553 -1.129 1.00 0.00 C ATOM 437 C PRO A 32 -9.692 -1.045 -2.568 1.00 0.00 C ATOM 438 O PRO A 32 -8.983 -0.429 -3.362 1.00 0.00 O ATOM 439 CB PRO A 32 -10.508 0.817 -1.040 1.00 0.00 C ATOM 440 CG PRO A 32 -9.381 1.800 -0.767 1.00 0.00 C ATOM 441 CD PRO A 32 -8.157 1.000 -0.352 1.00 0.00 C ATOM 0 HA PRO A 32 -10.477 -1.308 -0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.025 1.064 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.251 0.844 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.167 2.392 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.666 2.499 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.302 1.225 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.861 1.232 0.671 1.00 0.00 H new ATOM 449 N SER A 33 -10.361 -2.151 -2.861 1.00 0.00 N ATOM 450 CA SER A 33 -10.299 -2.733 -4.191 1.00 0.00 C ATOM 451 C SER A 33 -11.260 -2.000 -5.128 1.00 0.00 C ATOM 452 O SER A 33 -11.020 -1.922 -6.332 1.00 0.00 O ATOM 453 CB SER A 33 -10.629 -4.227 -4.154 1.00 0.00 C ATOM 454 OG SER A 33 -10.005 -4.884 -3.055 1.00 0.00 O ATOM 0 H SER A 33 -10.949 -2.659 -2.200 1.00 0.00 H new ATOM 0 HA SER A 33 -9.282 -2.622 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.709 -4.358 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.307 -4.693 -5.085 1.00 0.00 H new ATOM 0 HG SER A 33 -10.241 -5.835 -3.065 1.00 0.00 H new ATOM 460 N ASP A 34 -12.328 -1.480 -4.541 1.00 0.00 N ATOM 461 CA ASP A 34 -13.326 -0.756 -5.309 1.00 0.00 C ATOM 462 C ASP A 34 -12.628 0.255 -6.221 1.00 0.00 C ATOM 463 O ASP A 34 -13.155 0.616 -7.271 1.00 0.00 O ATOM 464 CB ASP A 34 -14.276 0.014 -4.390 1.00 0.00 C ATOM 465 CG ASP A 34 -15.503 0.612 -5.082 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.643 0.368 -6.300 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.273 1.299 -4.377 1.00 0.00 O ATOM 0 H ASP A 34 -12.524 -1.546 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.895 -1.481 -5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.614 -0.655 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.720 0.819 -3.910 1.00 0.00 H new ATOM 472 N GLY A 35 -11.452 0.682 -5.785 1.00 0.00 N ATOM 473 CA GLY A 35 -10.675 1.644 -6.549 1.00 0.00 C ATOM 474 C GLY A 35 -10.431 2.919 -5.739 1.00 0.00 C ATOM 475 O GLY A 35 -9.647 3.775 -6.144 1.00 0.00 O ATOM 0 H GLY A 35 -11.018 0.380 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.720 1.202 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.200 1.890 -7.472 1.00 0.00 H new ATOM 479 N GLN A 36 -11.118 3.004 -4.609 1.00 0.00 N ATOM 480 CA GLN A 36 -10.986 4.159 -3.738 1.00 0.00 C ATOM 481 C GLN A 36 -9.508 4.483 -3.506 1.00 0.00 C ATOM 482 O GLN A 36 -8.630 3.749 -3.957 1.00 0.00 O ATOM 483 CB GLN A 36 -11.712 3.932 -2.411 1.00 0.00 C ATOM 484 CG GLN A 36 -13.070 4.637 -2.402 1.00 0.00 C ATOM 485 CD GLN A 36 -13.773 4.455 -1.055 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.205 4.663 0.005 1.00 0.00 O ATOM 487 NE2 GLN A 36 -15.038 4.055 -1.155 1.00 0.00 N ATOM 0 H GLN A 36 -11.768 2.291 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.453 5.013 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.852 2.864 -2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.100 4.303 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.934 5.699 -2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.696 4.238 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.452 3.899 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.593 3.904 -0.313 1.00 0.00 H new ATOM 496 N ALA A 37 -9.279 5.582 -2.803 1.00 0.00 N ATOM 497 CA ALA A 37 -7.923 6.011 -2.505 1.00 0.00 C ATOM 498 C ALA A 37 -7.758 6.152 -0.991 1.00 0.00 C ATOM 499 O ALA A 37 -8.446 6.952 -0.359 1.00 0.00 O ATOM 500 CB ALA A 37 -7.626 7.316 -3.248 1.00 0.00 C ATOM 0 H ALA A 37 -10.010 6.189 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.202 5.269 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.609 7.638 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.728 7.155 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.329 8.085 -2.928 1.00 0.00 H new ATOM 506 N LEU A 38 -6.842 5.361 -0.452 1.00 0.00 N ATOM 507 CA LEU A 38 -6.578 5.387 0.977 1.00 0.00 C ATOM 508 C LEU A 38 -5.431 6.359 1.261 1.00 0.00 C ATOM 509 O LEU A 38 -4.273 6.059 0.977 1.00 0.00 O ATOM 510 CB LEU A 38 -6.328 3.972 1.501 1.00 0.00 C ATOM 511 CG LEU A 38 -6.604 3.750 2.990 1.00 0.00 C ATOM 512 CD1 LEU A 38 -7.996 4.258 3.371 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.405 2.281 3.372 1.00 0.00 C ATOM 0 H LEU A 38 -6.273 4.698 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.450 5.754 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.947 3.280 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.289 3.710 1.301 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.881 4.332 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.167 4.088 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.065 5.325 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.749 3.723 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.607 2.151 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.088 1.659 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.377 1.986 3.160 1.00 0.00 H new ATOM 525 N VAL A 39 -5.794 7.505 1.820 1.00 0.00 N ATOM 526 CA VAL A 39 -4.810 8.523 2.146 1.00 0.00 C ATOM 527 C VAL A 39 -4.057 8.111 3.413 1.00 0.00 C ATOM 528 O VAL A 39 -4.667 7.894 4.458 1.00 0.00 O ATOM 529 CB VAL A 39 -5.490 9.887 2.272 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.806 10.745 3.338 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.522 10.610 0.924 1.00 0.00 C ATOM 0 H VAL A 39 -6.756 7.750 2.055 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.075 8.614 1.346 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.520 9.720 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.309 11.709 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.859 10.238 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.762 10.899 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.011 11.577 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.503 10.759 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.075 10.009 0.202 1.00 0.00 H new ATOM 541 N LEU A 40 -2.742 8.016 3.277 1.00 0.00 N ATOM 542 CA LEU A 40 -1.900 7.635 4.398 1.00 0.00 C ATOM 543 C LEU A 40 -1.338 8.894 5.060 1.00 0.00 C ATOM 544 O LEU A 40 -1.532 10.001 4.561 1.00 0.00 O ATOM 545 CB LEU A 40 -0.824 6.644 3.947 1.00 0.00 C ATOM 546 CG LEU A 40 -0.848 5.273 4.625 1.00 0.00 C ATOM 547 CD1 LEU A 40 -2.128 4.511 4.276 1.00 0.00 C ATOM 548 CD2 LEU A 40 0.408 4.470 4.282 1.00 0.00 C ATOM 0 H LEU A 40 -2.240 8.196 2.408 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.486 7.112 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.922 6.497 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.153 7.096 4.120 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.848 5.426 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.120 3.540 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.994 5.082 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.183 4.368 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.366 3.500 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.464 4.325 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.291 5.012 4.622 1.00 0.00 H new ATOM 560 N GLY A 41 -0.651 8.683 6.173 1.00 0.00 N ATOM 561 CA GLY A 41 -0.059 9.787 6.909 1.00 0.00 C ATOM 562 C GLY A 41 -0.099 9.526 8.416 1.00 0.00 C ATOM 563 O GLY A 41 -0.144 8.376 8.849 1.00 0.00 O ATOM 0 H GLY A 41 -0.491 7.763 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.973 9.930 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.594 10.709 6.682 1.00 0.00 H new ATOM 567 N ARG A 42 -0.080 10.613 9.173 1.00 0.00 N ATOM 568 CA ARG A 42 -0.113 10.516 10.622 1.00 0.00 C ATOM 569 C ARG A 42 -1.485 10.027 11.091 1.00 0.00 C ATOM 570 O ARG A 42 -2.512 10.441 10.554 1.00 0.00 O ATOM 571 CB ARG A 42 0.187 11.868 11.272 1.00 0.00 C ATOM 572 CG ARG A 42 1.570 11.867 11.927 1.00 0.00 C ATOM 573 CD ARG A 42 1.746 13.083 12.838 1.00 0.00 C ATOM 574 NE ARG A 42 0.727 13.064 13.910 1.00 0.00 N ATOM 575 CZ ARG A 42 0.656 13.970 14.896 1.00 0.00 C ATOM 576 NH1 ARG A 42 1.545 14.971 14.951 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.303 13.874 15.827 1.00 0.00 N ATOM 0 H ARG A 42 -0.042 11.565 8.810 1.00 0.00 H new ATOM 0 HA ARG A 42 0.654 9.802 10.923 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.137 12.656 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.573 12.093 12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.702 10.953 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.341 11.871 11.157 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.745 13.079 13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.656 14.000 12.256 1.00 0.00 H new ATOM 0 HE ARG A 42 0.035 12.315 13.898 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.276 15.044 14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.491 15.660 15.701 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.979 13.112 15.786 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.357 14.563 16.577 1.00 0.00 H new ATOM 591 N GLY A 43 -1.458 9.153 12.086 1.00 0.00 N ATOM 592 CA GLY A 43 -2.687 8.603 12.632 1.00 0.00 C ATOM 593 C GLY A 43 -2.502 7.138 13.033 1.00 0.00 C ATOM 594 O GLY A 43 -1.394 6.607 12.965 1.00 0.00 O ATOM 0 H GLY A 43 -0.605 8.812 12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.996 9.185 13.500 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.485 8.684 11.894 1.00 0.00 H new ATOM 598 N PRO A 44 -3.632 6.509 13.454 1.00 0.00 N ATOM 599 CA PRO A 44 -3.605 5.116 13.866 1.00 0.00 C ATOM 600 C PRO A 44 -3.498 4.188 12.655 1.00 0.00 C ATOM 601 O PRO A 44 -3.321 2.980 12.807 1.00 0.00 O ATOM 602 CB PRO A 44 -4.887 4.915 14.658 1.00 0.00 C ATOM 603 CG PRO A 44 -5.802 6.065 14.268 1.00 0.00 C ATOM 604 CD PRO A 44 -4.961 7.106 13.548 1.00 0.00 C ATOM 0 HA PRO A 44 -2.734 4.874 14.476 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.345 3.954 14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.689 4.920 15.730 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.606 5.711 13.623 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.270 6.497 15.152 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.366 7.328 12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.935 8.045 14.101 1.00 0.00 H new ATOM 612 N LEU A 45 -3.610 4.787 11.478 1.00 0.00 N ATOM 613 CA LEU A 45 -3.528 4.030 10.241 1.00 0.00 C ATOM 614 C LEU A 45 -2.207 3.259 10.207 1.00 0.00 C ATOM 615 O LEU A 45 -2.202 2.031 10.139 1.00 0.00 O ATOM 616 CB LEU A 45 -3.736 4.948 9.036 1.00 0.00 C ATOM 617 CG LEU A 45 -5.180 5.370 8.755 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.583 6.560 9.629 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.389 5.656 7.267 1.00 0.00 C ATOM 0 H LEU A 45 -3.757 5.789 11.355 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.329 3.293 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.138 5.847 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.346 4.446 8.150 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.835 4.540 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.613 6.840 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.498 6.285 10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.925 7.404 9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.423 5.954 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.723 6.460 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.169 4.758 6.690 1.00 0.00 H new ATOM 631 N THR A 46 -1.118 4.012 10.255 1.00 0.00 N ATOM 632 CA THR A 46 0.206 3.416 10.230 1.00 0.00 C ATOM 633 C THR A 46 0.911 3.625 11.572 1.00 0.00 C ATOM 634 O THR A 46 2.087 3.294 11.718 1.00 0.00 O ATOM 635 CB THR A 46 0.970 4.008 9.044 1.00 0.00 C ATOM 636 OG1 THR A 46 1.231 5.353 9.436 1.00 0.00 O ATOM 637 CG2 THR A 46 0.096 4.147 7.796 1.00 0.00 C ATOM 0 H THR A 46 -1.126 5.030 10.311 1.00 0.00 H new ATOM 0 HA THR A 46 0.150 2.336 10.092 1.00 0.00 H new ATOM 0 HB THR A 46 1.831 3.380 8.816 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.569 5.948 9.026 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.686 4.572 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.275 3.166 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.747 4.803 8.013 1.00 0.00 H new ATOM 645 N GLN A 47 0.163 4.173 12.518 1.00 0.00 N ATOM 646 CA GLN A 47 0.701 4.431 13.842 1.00 0.00 C ATOM 647 C GLN A 47 1.801 5.492 13.771 1.00 0.00 C ATOM 648 O GLN A 47 2.568 5.660 14.718 1.00 0.00 O ATOM 649 CB GLN A 47 1.222 3.143 14.482 1.00 0.00 C ATOM 650 CG GLN A 47 0.087 2.141 14.702 1.00 0.00 C ATOM 651 CD GLN A 47 -0.035 1.766 16.180 1.00 0.00 C ATOM 652 OE1 GLN A 47 0.941 1.675 16.907 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.285 1.555 16.583 1.00 0.00 N ATOM 0 H GLN A 47 -0.812 4.446 12.393 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.103 4.812 14.472 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.985 2.699 13.843 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.698 3.373 15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.853 2.569 14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.269 1.244 14.110 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.056 1.648 15.922 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.472 1.300 17.553 1.00 0.00 H new ATOM 662 N VAL A 48 1.843 6.180 12.640 1.00 0.00 N ATOM 663 CA VAL A 48 2.836 7.220 12.433 1.00 0.00 C ATOM 664 C VAL A 48 2.436 8.467 13.224 1.00 0.00 C ATOM 665 O VAL A 48 1.287 8.903 13.164 1.00 0.00 O ATOM 666 CB VAL A 48 3.007 7.491 10.937 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.733 8.816 10.699 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.736 6.335 10.250 1.00 0.00 C ATOM 0 H VAL A 48 1.205 6.038 11.857 1.00 0.00 H new ATOM 0 HA VAL A 48 3.809 6.897 12.805 1.00 0.00 H new ATOM 0 HB VAL A 48 2.014 7.570 10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.841 8.984 9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.157 9.631 11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.719 8.779 11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.844 6.553 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.722 6.210 10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.162 5.417 10.375 1.00 0.00 H new ATOM 678 N THR A 49 3.405 9.006 13.949 1.00 0.00 N ATOM 679 CA THR A 49 3.168 10.194 14.751 1.00 0.00 C ATOM 680 C THR A 49 4.268 11.229 14.510 1.00 0.00 C ATOM 681 O THR A 49 4.564 12.041 15.385 1.00 0.00 O ATOM 682 CB THR A 49 3.051 9.761 16.214 1.00 0.00 C ATOM 683 OG1 THR A 49 4.260 9.048 16.462 1.00 0.00 O ATOM 684 CG2 THR A 49 1.953 8.719 16.430 1.00 0.00 C ATOM 0 H THR A 49 4.356 8.642 13.998 1.00 0.00 H new ATOM 0 HA THR A 49 2.237 10.684 14.466 1.00 0.00 H new ATOM 0 HB THR A 49 2.850 10.633 16.836 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.269 8.732 17.390 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.912 8.446 17.485 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.992 9.134 16.125 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.170 7.832 15.834 1.00 0.00 H new ATOM 692 N ASP A 50 4.844 11.167 13.318 1.00 0.00 N ATOM 693 CA ASP A 50 5.906 12.088 12.951 1.00 0.00 C ATOM 694 C ASP A 50 5.291 13.347 12.336 1.00 0.00 C ATOM 695 O ASP A 50 4.460 13.260 11.433 1.00 0.00 O ATOM 696 CB ASP A 50 6.842 11.465 11.914 1.00 0.00 C ATOM 697 CG ASP A 50 8.052 12.322 11.537 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.108 13.471 12.027 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.893 11.810 10.767 1.00 0.00 O ATOM 0 H ASP A 50 4.595 10.493 12.594 1.00 0.00 H new ATOM 0 HA ASP A 50 6.473 12.326 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.198 10.509 12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.270 11.254 11.011 1.00 0.00 H new ATOM 704 N ARG A 51 5.724 14.490 12.849 1.00 0.00 N ATOM 705 CA ARG A 51 5.227 15.765 12.361 1.00 0.00 C ATOM 706 C ARG A 51 5.442 15.876 10.850 1.00 0.00 C ATOM 707 O ARG A 51 4.541 16.287 10.120 1.00 0.00 O ATOM 708 CB ARG A 51 5.931 16.933 13.056 1.00 0.00 C ATOM 709 CG ARG A 51 5.642 16.930 14.559 1.00 0.00 C ATOM 710 CD ARG A 51 4.764 18.120 14.950 1.00 0.00 C ATOM 711 NE ARG A 51 5.469 18.967 15.938 1.00 0.00 N ATOM 712 CZ ARG A 51 5.746 18.586 17.193 1.00 0.00 C ATOM 713 NH1 ARG A 51 5.379 17.370 17.620 1.00 0.00 N ATOM 714 NH2 ARG A 51 6.390 19.420 18.020 1.00 0.00 N ATOM 0 H ARG A 51 6.413 14.559 13.598 1.00 0.00 H new ATOM 0 HA ARG A 51 4.161 15.812 12.584 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.006 16.866 12.888 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.598 17.875 12.620 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.145 16.000 14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.580 16.967 15.113 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.518 18.707 14.065 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.822 17.765 15.369 1.00 0.00 H new ATOM 0 HE ARG A 51 5.762 19.899 15.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.889 16.735 16.990 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.590 17.080 18.575 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.670 20.345 17.695 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.601 19.130 18.975 1.00 0.00 H new ATOM 728 N LYS A 52 6.640 15.502 10.426 1.00 0.00 N ATOM 729 CA LYS A 52 6.984 15.554 9.015 1.00 0.00 C ATOM 730 C LYS A 52 5.867 14.902 8.198 1.00 0.00 C ATOM 731 O LYS A 52 5.630 15.281 7.052 1.00 0.00 O ATOM 732 CB LYS A 52 8.362 14.934 8.777 1.00 0.00 C ATOM 733 CG LYS A 52 9.453 15.729 9.498 1.00 0.00 C ATOM 734 CD LYS A 52 10.536 16.187 8.519 1.00 0.00 C ATOM 735 CE LYS A 52 11.687 16.874 9.256 1.00 0.00 C ATOM 736 NZ LYS A 52 12.770 17.228 8.312 1.00 0.00 N ATOM 0 H LYS A 52 7.385 15.162 11.034 1.00 0.00 H new ATOM 0 HA LYS A 52 7.063 16.588 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.366 13.902 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.573 14.907 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.012 16.596 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.900 15.114 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.916 15.329 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.105 16.873 7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.323 17.773 9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.075 16.214 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.543 17.693 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.129 16.365 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.400 17.875 7.586 1.00 0.00 H new ATOM 750 N CYS A 53 5.211 13.933 8.819 1.00 0.00 N ATOM 751 CA CYS A 53 4.124 13.225 8.163 1.00 0.00 C ATOM 752 C CYS A 53 2.885 14.122 8.183 1.00 0.00 C ATOM 753 O CYS A 53 2.721 14.940 9.087 1.00 0.00 O ATOM 754 CB CYS A 53 3.857 11.868 8.817 1.00 0.00 C ATOM 755 SG CYS A 53 4.287 10.519 7.658 1.00 0.00 S ATOM 0 H CYS A 53 5.411 13.621 9.769 1.00 0.00 H new ATOM 0 HA CYS A 53 4.398 13.009 7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.443 11.774 9.731 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.808 11.793 9.102 1.00 0.00 H new ATOM 0 HG CYS A 53 4.103 10.922 6.436 1.00 0.00 H new ATOM 761 N SER A 54 2.045 13.939 7.176 1.00 0.00 N ATOM 762 CA SER A 54 0.825 14.721 7.066 1.00 0.00 C ATOM 763 C SER A 54 -0.381 13.792 6.914 1.00 0.00 C ATOM 764 O SER A 54 -0.330 12.822 6.159 1.00 0.00 O ATOM 765 CB SER A 54 0.898 15.693 5.887 1.00 0.00 C ATOM 766 OG SER A 54 0.304 16.951 6.195 1.00 0.00 O ATOM 0 H SER A 54 2.185 13.260 6.428 1.00 0.00 H new ATOM 0 HA SER A 54 0.711 15.307 7.978 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.940 15.843 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.395 15.256 5.025 1.00 0.00 H new ATOM 0 HG SER A 54 0.372 17.544 5.418 1.00 0.00 H new ATOM 772 N ARG A 55 -1.437 14.121 7.643 1.00 0.00 N ATOM 773 CA ARG A 55 -2.654 13.329 7.599 1.00 0.00 C ATOM 774 C ARG A 55 -2.924 12.850 6.171 1.00 0.00 C ATOM 775 O ARG A 55 -3.504 11.785 5.968 1.00 0.00 O ATOM 776 CB ARG A 55 -3.855 14.136 8.095 1.00 0.00 C ATOM 777 CG ARG A 55 -4.316 13.645 9.469 1.00 0.00 C ATOM 778 CD ARG A 55 -5.825 13.831 9.640 1.00 0.00 C ATOM 779 NE ARG A 55 -6.164 13.913 11.078 1.00 0.00 N ATOM 780 CZ ARG A 55 -6.077 15.033 11.808 1.00 0.00 C ATOM 781 NH1 ARG A 55 -5.660 16.173 11.240 1.00 0.00 N ATOM 782 NH2 ARG A 55 -6.406 15.014 13.107 1.00 0.00 N ATOM 0 H ARG A 55 -1.475 14.926 8.268 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.514 12.469 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.590 15.192 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.674 14.052 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.060 12.592 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.788 14.191 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.148 14.738 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.357 12.999 9.179 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.484 13.063 11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.409 16.188 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.594 17.025 11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.723 14.147 13.540 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.340 15.867 13.662 1.00 0.00 H new ATOM 796 N ASN A 56 -2.490 13.661 5.217 1.00 0.00 N ATOM 797 CA ASN A 56 -2.677 13.334 3.814 1.00 0.00 C ATOM 798 C ASN A 56 -1.347 13.493 3.075 1.00 0.00 C ATOM 799 O ASN A 56 -1.229 14.320 2.172 1.00 0.00 O ATOM 800 CB ASN A 56 -3.695 14.272 3.161 1.00 0.00 C ATOM 801 CG ASN A 56 -4.980 14.347 3.988 1.00 0.00 C ATOM 802 OD1 ASN A 56 -4.971 14.647 5.170 1.00 0.00 O ATOM 803 ND2 ASN A 56 -6.082 14.058 3.302 1.00 0.00 N ATOM 0 H ASN A 56 -2.009 14.544 5.389 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.040 12.308 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.264 15.268 3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.925 13.921 2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.991 14.080 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.018 13.815 2.314 1.00 0.00 H new ATOM 810 N GLN A 57 -0.378 12.688 3.487 1.00 0.00 N ATOM 811 CA GLN A 57 0.939 12.729 2.876 1.00 0.00 C ATOM 812 C GLN A 57 0.869 12.236 1.429 1.00 0.00 C ATOM 813 O GLN A 57 1.234 12.960 0.504 1.00 0.00 O ATOM 814 CB GLN A 57 1.945 11.909 3.686 1.00 0.00 C ATOM 815 CG GLN A 57 3.275 11.780 2.940 1.00 0.00 C ATOM 816 CD GLN A 57 3.933 13.149 2.752 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.500 14.154 3.291 1.00 0.00 O ATOM 818 NE2 GLN A 57 5.000 13.132 1.959 1.00 0.00 N ATOM 0 H GLN A 57 -0.479 12.004 4.237 1.00 0.00 H new ATOM 0 HA GLN A 57 1.283 13.763 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.111 12.383 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.537 10.918 3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.945 11.123 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.107 11.316 1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.310 12.255 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.509 13.996 1.770 1.00 0.00 H new ATOM 827 N VAL A 58 0.396 11.008 1.278 1.00 0.00 N ATOM 828 CA VAL A 58 0.273 10.410 -0.040 1.00 0.00 C ATOM 829 C VAL A 58 -1.070 9.684 -0.143 1.00 0.00 C ATOM 830 O VAL A 58 -1.710 9.409 0.871 1.00 0.00 O ATOM 831 CB VAL A 58 1.469 9.495 -0.314 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.761 10.305 -0.439 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.597 8.422 0.769 1.00 0.00 C ATOM 0 H VAL A 58 0.093 10.411 2.047 1.00 0.00 H new ATOM 0 HA VAL A 58 0.287 11.180 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 58 1.296 8.992 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.595 9.631 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.668 11.014 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.941 10.848 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.454 7.785 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.737 8.899 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.691 7.816 0.790 1.00 0.00 H new ATOM 843 N GLU A 59 -1.457 9.394 -1.376 1.00 0.00 N ATOM 844 CA GLU A 59 -2.712 8.706 -1.625 1.00 0.00 C ATOM 845 C GLU A 59 -2.451 7.333 -2.247 1.00 0.00 C ATOM 846 O GLU A 59 -1.967 7.240 -3.374 1.00 0.00 O ATOM 847 CB GLU A 59 -3.631 9.545 -2.514 1.00 0.00 C ATOM 848 CG GLU A 59 -5.070 9.027 -2.460 1.00 0.00 C ATOM 849 CD GLU A 59 -5.885 9.547 -3.646 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.413 9.355 -4.787 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.962 10.125 -3.384 1.00 0.00 O ATOM 0 H GLU A 59 -0.923 9.623 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.219 8.560 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.603 10.586 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.270 9.520 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.068 7.937 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.538 9.340 -1.527 1.00 0.00 H new ATOM 858 N LEU A 60 -2.782 6.300 -1.486 1.00 0.00 N ATOM 859 CA LEU A 60 -2.589 4.936 -1.949 1.00 0.00 C ATOM 860 C LEU A 60 -3.883 4.432 -2.589 1.00 0.00 C ATOM 861 O LEU A 60 -4.973 4.685 -2.077 1.00 0.00 O ATOM 862 CB LEU A 60 -2.080 4.051 -0.810 1.00 0.00 C ATOM 863 CG LEU A 60 -0.574 4.099 -0.544 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.286 4.373 0.934 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.111 2.822 -1.034 1.00 0.00 C ATOM 0 H LEU A 60 -3.183 6.380 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.818 4.900 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.600 4.336 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.358 3.019 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.154 4.928 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.792 4.402 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.721 5.331 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.723 3.581 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.181 2.883 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.308 1.961 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.051 2.711 -2.106 1.00 0.00 H new ATOM 877 N ILE A 61 -3.721 3.727 -3.699 1.00 0.00 N ATOM 878 CA ILE A 61 -4.864 3.184 -4.414 1.00 0.00 C ATOM 879 C ILE A 61 -4.535 1.768 -4.892 1.00 0.00 C ATOM 880 O ILE A 61 -3.630 1.577 -5.702 1.00 0.00 O ATOM 881 CB ILE A 61 -5.290 4.129 -5.539 1.00 0.00 C ATOM 882 CG1 ILE A 61 -6.033 5.345 -4.982 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.113 3.389 -6.595 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.903 6.545 -5.922 1.00 0.00 C ATOM 0 H ILE A 61 -2.816 3.519 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.726 3.105 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.391 4.499 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.086 5.100 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.633 5.602 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.403 4.084 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.516 2.584 -7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.007 2.971 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.440 7.396 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.850 6.803 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.326 6.293 -6.895 1.00 0.00 H new ATOM 896 N ALA A 62 -5.289 0.812 -4.370 1.00 0.00 N ATOM 897 CA ALA A 62 -5.089 -0.581 -4.733 1.00 0.00 C ATOM 898 C ALA A 62 -5.638 -0.820 -6.141 1.00 0.00 C ATOM 899 O ALA A 62 -6.781 -0.474 -6.433 1.00 0.00 O ATOM 900 CB ALA A 62 -5.752 -1.481 -3.688 1.00 0.00 C ATOM 0 H ALA A 62 -6.039 0.974 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.027 -0.826 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.602 -2.526 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.307 -1.293 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.820 -1.266 -3.648 1.00 0.00 H new ATOM 906 N ASP A 63 -4.796 -1.410 -6.977 1.00 0.00 N ATOM 907 CA ASP A 63 -5.182 -1.699 -8.347 1.00 0.00 C ATOM 908 C ASP A 63 -5.021 -3.198 -8.612 1.00 0.00 C ATOM 909 O ASP A 63 -3.956 -3.647 -9.031 1.00 0.00 O ATOM 910 CB ASP A 63 -4.294 -0.946 -9.340 1.00 0.00 C ATOM 911 CG ASP A 63 -5.029 0.056 -10.233 1.00 0.00 C ATOM 912 OD1 ASP A 63 -6.236 -0.169 -10.465 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.367 1.025 -10.663 1.00 0.00 O ATOM 0 H ASP A 63 -3.848 -1.696 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.217 -1.385 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.521 -0.416 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.787 -1.673 -9.975 1.00 0.00 H new ATOM 918 N PRO A 64 -6.124 -3.949 -8.350 1.00 0.00 N ATOM 919 CA PRO A 64 -6.116 -5.387 -8.556 1.00 0.00 C ATOM 920 C PRO A 64 -6.195 -5.729 -10.045 1.00 0.00 C ATOM 921 O PRO A 64 -6.205 -6.901 -10.417 1.00 0.00 O ATOM 922 CB PRO A 64 -7.306 -5.905 -7.764 1.00 0.00 C ATOM 923 CG PRO A 64 -8.204 -4.701 -7.527 1.00 0.00 C ATOM 924 CD PRO A 64 -7.403 -3.451 -7.853 1.00 0.00 C ATOM 0 HA PRO A 64 -5.193 -5.855 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.833 -6.683 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.985 -6.345 -6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.094 -4.759 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.545 -4.677 -6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.908 -2.841 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.268 -2.826 -6.970 1.00 0.00 H new ATOM 932 N GLU A 65 -6.248 -4.683 -10.857 1.00 0.00 N ATOM 933 CA GLU A 65 -6.325 -4.858 -12.298 1.00 0.00 C ATOM 934 C GLU A 65 -4.995 -5.383 -12.841 1.00 0.00 C ATOM 935 O GLU A 65 -4.976 -6.256 -13.708 1.00 0.00 O ATOM 936 CB GLU A 65 -6.721 -3.551 -12.988 1.00 0.00 C ATOM 937 CG GLU A 65 -8.220 -3.526 -13.297 1.00 0.00 C ATOM 938 CD GLU A 65 -8.469 -3.591 -14.805 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.127 -2.596 -15.480 1.00 0.00 O ATOM 940 OE2 GLU A 65 -8.997 -4.634 -15.249 1.00 0.00 O ATOM 0 H GLU A 65 -6.239 -3.712 -10.545 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.099 -5.594 -12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.464 -2.706 -12.349 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.154 -3.437 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.710 -4.367 -12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.664 -2.617 -12.890 1.00 0.00 H new ATOM 947 N SER A 66 -3.915 -4.830 -12.309 1.00 0.00 N ATOM 948 CA SER A 66 -2.584 -5.232 -12.730 1.00 0.00 C ATOM 949 C SER A 66 -1.698 -5.471 -11.505 1.00 0.00 C ATOM 950 O SER A 66 -0.473 -5.402 -11.598 1.00 0.00 O ATOM 951 CB SER A 66 -1.953 -4.179 -13.643 1.00 0.00 C ATOM 952 OG SER A 66 -2.604 -4.113 -14.910 1.00 0.00 O ATOM 0 H SER A 66 -3.935 -4.107 -11.590 1.00 0.00 H new ATOM 0 HA SER A 66 -2.670 -6.160 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.001 -3.203 -13.159 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.898 -4.411 -13.789 1.00 0.00 H new ATOM 0 HG SER A 66 -2.174 -3.428 -15.464 1.00 0.00 H new ATOM 958 N ARG A 67 -2.352 -5.748 -10.387 1.00 0.00 N ATOM 959 CA ARG A 67 -1.639 -5.997 -9.145 1.00 0.00 C ATOM 960 C ARG A 67 -0.666 -4.854 -8.853 1.00 0.00 C ATOM 961 O ARG A 67 0.476 -5.090 -8.460 1.00 0.00 O ATOM 962 CB ARG A 67 -0.863 -7.314 -9.211 1.00 0.00 C ATOM 963 CG ARG A 67 -1.815 -8.508 -9.306 1.00 0.00 C ATOM 964 CD ARG A 67 -1.581 -9.295 -10.596 1.00 0.00 C ATOM 965 NE ARG A 67 -0.695 -10.451 -10.331 1.00 0.00 N ATOM 966 CZ ARG A 67 -0.234 -11.278 -11.279 1.00 0.00 C ATOM 967 NH1 ARG A 67 -0.572 -11.082 -12.561 1.00 0.00 N ATOM 968 NH2 ARG A 67 0.565 -12.301 -10.945 1.00 0.00 N ATOM 0 H ARG A 67 -3.368 -5.806 -10.315 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.377 -6.063 -8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.198 -7.305 -10.074 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.235 -7.415 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.671 -9.162 -8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.847 -8.158 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.533 -9.641 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.133 -8.648 -11.350 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.418 -10.629 -9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.180 -10.303 -12.815 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.221 -11.711 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.822 -12.450 -9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.916 -12.931 -11.667 1.00 0.00 H new ATOM 982 N THR A 68 -1.152 -3.638 -9.056 1.00 0.00 N ATOM 983 CA THR A 68 -0.340 -2.457 -8.819 1.00 0.00 C ATOM 984 C THR A 68 -1.066 -1.489 -7.884 1.00 0.00 C ATOM 985 O THR A 68 -2.223 -1.711 -7.531 1.00 0.00 O ATOM 986 CB THR A 68 0.010 -1.844 -10.177 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.178 -2.005 -10.947 1.00 0.00 O ATOM 988 CG2 THR A 68 1.059 -2.659 -10.935 1.00 0.00 C ATOM 0 H THR A 68 -2.099 -3.445 -9.382 1.00 0.00 H new ATOM 0 HA THR A 68 0.590 -2.712 -8.312 1.00 0.00 H new ATOM 0 HB THR A 68 0.376 -0.827 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.040 -1.633 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.271 -2.180 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.974 -2.712 -10.345 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.681 -3.666 -11.109 1.00 0.00 H new ATOM 996 N VAL A 69 -0.357 -0.434 -7.509 1.00 0.00 N ATOM 997 CA VAL A 69 -0.920 0.569 -6.621 1.00 0.00 C ATOM 998 C VAL A 69 -0.426 1.954 -7.046 1.00 0.00 C ATOM 999 O VAL A 69 0.721 2.107 -7.461 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.579 0.232 -5.168 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.219 1.237 -4.208 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -0.999 -1.198 -4.824 1.00 0.00 C ATOM 0 H VAL A 69 0.602 -0.252 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.008 0.576 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 69 0.503 0.300 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.961 0.975 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.850 2.238 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.302 1.215 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.745 -1.412 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.075 -1.305 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.477 -1.898 -5.477 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.317 2.927 -6.926 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.986 4.293 -7.292 1.00 0.00 C ATOM 1014 C ALA A 70 -0.633 5.083 -6.030 1.00 0.00 C ATOM 1015 O ALA A 70 -1.214 4.858 -4.969 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.156 4.914 -8.059 1.00 0.00 C ATOM 0 H ALA A 70 -2.268 2.796 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.117 4.314 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.908 5.939 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.349 4.333 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.046 4.912 -7.429 1.00 0.00 H new ATOM 1022 N VAL A 71 0.318 5.992 -6.186 1.00 0.00 N ATOM 1023 CA VAL A 71 0.756 6.817 -5.073 1.00 0.00 C ATOM 1024 C VAL A 71 0.901 8.266 -5.543 1.00 0.00 C ATOM 1025 O VAL A 71 1.782 8.577 -6.342 1.00 0.00 O ATOM 1026 CB VAL A 71 2.046 6.249 -4.477 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.746 7.286 -3.596 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.771 4.963 -3.697 1.00 0.00 C ATOM 0 H VAL A 71 0.798 6.175 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 71 0.013 6.808 -4.275 1.00 0.00 H new ATOM 0 HB VAL A 71 2.715 6.003 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.660 6.857 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.994 8.163 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.084 7.578 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.705 4.581 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.074 5.172 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.338 4.218 -4.365 1.00 0.00 H new ATOM 1038 N LYS A 72 0.023 9.112 -5.026 1.00 0.00 N ATOM 1039 CA LYS A 72 0.042 10.521 -5.382 1.00 0.00 C ATOM 1040 C LYS A 72 0.431 11.348 -4.156 1.00 0.00 C ATOM 1041 O LYS A 72 -0.180 11.219 -3.096 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.294 10.934 -6.004 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.379 12.454 -6.160 1.00 0.00 C ATOM 1044 CD LYS A 72 -1.826 12.837 -7.572 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.296 13.261 -7.585 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.420 14.690 -7.951 1.00 0.00 N ATOM 0 H LYS A 72 -0.706 8.849 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 72 0.796 10.710 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.409 10.458 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.115 10.582 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.080 12.859 -5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.407 12.900 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.205 13.652 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.681 11.992 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.851 12.648 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.738 13.091 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.424 14.961 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.907 15.272 -7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.016 14.842 -8.897 1.00 0.00 H new ATOM 1060 N GLN A 73 1.447 12.179 -4.340 1.00 0.00 N ATOM 1061 CA GLN A 73 1.925 13.026 -3.261 1.00 0.00 C ATOM 1062 C GLN A 73 0.928 14.155 -2.991 1.00 0.00 C ATOM 1063 O GLN A 73 0.572 14.904 -3.900 1.00 0.00 O ATOM 1064 CB GLN A 73 3.313 13.585 -3.577 1.00 0.00 C ATOM 1065 CG GLN A 73 4.103 13.851 -2.294 1.00 0.00 C ATOM 1066 CD GLN A 73 3.921 15.297 -1.827 1.00 0.00 C ATOM 1067 OE1 GLN A 73 2.817 15.801 -1.699 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.062 15.934 -1.582 1.00 0.00 N ATOM 0 H GLN A 73 1.952 12.283 -5.220 1.00 0.00 H new ATOM 0 HA GLN A 73 2.010 12.419 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.858 12.880 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.216 14.509 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.773 13.168 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.161 13.651 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.952 15.453 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.047 16.904 -1.266 1.00 0.00 H new ATOM 1077 N LEU A 74 0.505 14.241 -1.738 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.444 15.266 -1.338 1.00 0.00 C ATOM 1079 C LEU A 74 0.152 16.088 -0.194 1.00 0.00 C ATOM 1080 O LEU A 74 -0.442 17.073 0.243 1.00 0.00 O ATOM 1081 CB LEU A 74 -1.799 14.640 -1.003 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.108 13.305 -1.685 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.021 12.442 -0.812 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -2.691 13.525 -3.082 1.00 0.00 C ATOM 0 H LEU A 74 0.802 13.618 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.631 15.954 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.853 14.495 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.581 15.351 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.172 12.760 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.225 11.499 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.531 12.242 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.959 12.969 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.901 12.561 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.614 14.100 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.973 14.072 -3.694 1.00 0.00 H new ATOM 1096 N GLY A 75 1.319 15.654 0.259 1.00 0.00 N ATOM 1097 CA GLY A 75 2.003 16.337 1.344 1.00 0.00 C ATOM 1098 C GLY A 75 2.995 17.369 0.803 1.00 0.00 C ATOM 1099 O GLY A 75 2.788 17.931 -0.271 1.00 0.00 O ATOM 0 H GLY A 75 1.809 14.837 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.273 16.830 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.530 15.610 1.962 1.00 0.00 H new ATOM 1103 N VAL A 76 4.052 17.586 1.573 1.00 0.00 N ATOM 1104 CA VAL A 76 5.077 18.540 1.184 1.00 0.00 C ATOM 1105 C VAL A 76 6.407 17.807 1.001 1.00 0.00 C ATOM 1106 O VAL A 76 7.092 17.997 -0.002 1.00 0.00 O ATOM 1107 CB VAL A 76 5.155 19.672 2.211 1.00 0.00 C ATOM 1108 CG1 VAL A 76 5.150 19.118 3.638 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.383 20.550 1.967 1.00 0.00 C ATOM 0 H VAL A 76 4.220 17.118 2.463 1.00 0.00 H new ATOM 0 HA VAL A 76 4.826 19.002 0.229 1.00 0.00 H new ATOM 0 HB VAL A 76 4.269 20.296 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.206 19.943 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.232 18.556 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.009 18.461 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.414 21.346 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.285 19.944 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.326 20.987 0.970 1.00 0.00 H new ATOM 1119 N ASN A 77 6.732 16.983 1.987 1.00 0.00 N ATOM 1120 CA ASN A 77 7.968 16.220 1.947 1.00 0.00 C ATOM 1121 C ASN A 77 7.900 15.206 0.803 1.00 0.00 C ATOM 1122 O ASN A 77 6.853 14.608 0.560 1.00 0.00 O ATOM 1123 CB ASN A 77 8.181 15.448 3.250 1.00 0.00 C ATOM 1124 CG ASN A 77 8.617 16.386 4.378 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.746 16.843 4.439 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.660 16.645 5.265 1.00 0.00 N ATOM 0 H ASN A 77 6.161 16.827 2.818 1.00 0.00 H new ATOM 0 HA ASN A 77 8.791 16.920 1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.258 14.940 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.937 14.677 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.851 17.260 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.735 16.229 5.154 1.00 0.00 H new ATOM 1133 N PRO A 78 9.060 15.040 0.112 1.00 0.00 N ATOM 1134 CA PRO A 78 9.142 14.109 -1.000 1.00 0.00 C ATOM 1135 C PRO A 78 9.190 12.663 -0.503 1.00 0.00 C ATOM 1136 O PRO A 78 10.136 12.268 0.178 1.00 0.00 O ATOM 1137 CB PRO A 78 10.391 14.516 -1.763 1.00 0.00 C ATOM 1138 CG PRO A 78 11.214 15.355 -0.799 1.00 0.00 C ATOM 1139 CD PRO A 78 10.319 15.731 0.371 1.00 0.00 C ATOM 0 HA PRO A 78 8.266 14.149 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.950 13.640 -2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.135 15.086 -2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.082 14.796 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.589 16.250 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.755 15.417 1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.174 16.810 0.428 1.00 0.00 H new ATOM 1147 N SER A 79 8.159 11.912 -0.861 1.00 0.00 N ATOM 1148 CA SER A 79 8.072 10.519 -0.460 1.00 0.00 C ATOM 1149 C SER A 79 8.825 9.638 -1.459 1.00 0.00 C ATOM 1150 O SER A 79 8.926 9.976 -2.637 1.00 0.00 O ATOM 1151 CB SER A 79 6.614 10.067 -0.349 1.00 0.00 C ATOM 1152 OG SER A 79 6.019 10.479 0.878 1.00 0.00 O ATOM 0 H SER A 79 7.376 12.243 -1.425 1.00 0.00 H new ATOM 0 HA SER A 79 8.532 10.418 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.044 10.475 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.564 8.981 -0.429 1.00 0.00 H new ATOM 0 HG SER A 79 6.503 10.075 1.628 1.00 0.00 H new ATOM 1158 N THR A 80 9.336 8.526 -0.951 1.00 0.00 N ATOM 1159 CA THR A 80 10.078 7.595 -1.784 1.00 0.00 C ATOM 1160 C THR A 80 9.205 6.392 -2.146 1.00 0.00 C ATOM 1161 O THR A 80 8.781 5.641 -1.269 1.00 0.00 O ATOM 1162 CB THR A 80 11.360 7.213 -1.041 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.901 8.462 -0.618 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.429 6.641 -1.973 1.00 0.00 C ATOM 0 H THR A 80 9.251 8.249 0.027 1.00 0.00 H new ATOM 0 HA THR A 80 10.359 8.051 -2.733 1.00 0.00 H new ATOM 0 HB THR A 80 11.126 6.483 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.734 8.308 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.317 6.387 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.045 5.745 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.688 7.383 -2.728 1.00 0.00 H new ATOM 1172 N VAL A 81 8.962 6.247 -3.441 1.00 0.00 N ATOM 1173 CA VAL A 81 8.147 5.148 -3.930 1.00 0.00 C ATOM 1174 C VAL A 81 9.058 4.040 -4.463 1.00 0.00 C ATOM 1175 O VAL A 81 9.190 3.868 -5.674 1.00 0.00 O ATOM 1176 CB VAL A 81 7.153 5.658 -4.976 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.685 4.523 -5.888 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.963 6.352 -4.309 1.00 0.00 C ATOM 0 H VAL A 81 9.315 6.872 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 81 7.556 4.722 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 81 7.667 6.394 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.980 4.913 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.544 4.093 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.198 3.753 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.272 6.705 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.451 5.647 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.318 7.199 -3.722 1.00 0.00 H new ATOM 1188 N GLY A 82 9.665 3.318 -3.532 1.00 0.00 N ATOM 1189 CA GLY A 82 10.560 2.232 -3.892 1.00 0.00 C ATOM 1190 C GLY A 82 12.011 2.715 -3.952 1.00 0.00 C ATOM 1191 O GLY A 82 12.691 2.776 -2.929 1.00 0.00 O ATOM 0 H GLY A 82 9.554 3.464 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.471 1.426 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.269 1.822 -4.859 1.00 0.00 H new ATOM 1195 N VAL A 83 12.442 3.045 -5.161 1.00 0.00 N ATOM 1196 CA VAL A 83 13.800 3.520 -5.367 1.00 0.00 C ATOM 1197 C VAL A 83 13.758 4.889 -6.047 1.00 0.00 C ATOM 1198 O VAL A 83 14.775 5.371 -6.544 1.00 0.00 O ATOM 1199 CB VAL A 83 14.602 2.484 -6.157 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.174 2.463 -7.626 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.105 2.739 -6.028 1.00 0.00 C ATOM 0 H VAL A 83 11.875 2.993 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 83 14.310 3.647 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 83 14.391 1.503 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.760 1.718 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.116 2.211 -7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.341 3.445 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.652 1.988 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.340 3.731 -6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.395 2.680 -4.979 1.00 0.00 H new ATOM 1211 N GLN A 84 12.572 5.479 -6.048 1.00 0.00 N ATOM 1212 CA GLN A 84 12.384 6.784 -6.658 1.00 0.00 C ATOM 1213 C GLN A 84 11.789 7.763 -5.645 1.00 0.00 C ATOM 1214 O GLN A 84 10.938 7.388 -4.840 1.00 0.00 O ATOM 1215 CB GLN A 84 11.505 6.684 -7.907 1.00 0.00 C ATOM 1216 CG GLN A 84 11.044 8.069 -8.365 1.00 0.00 C ATOM 1217 CD GLN A 84 10.681 8.062 -9.851 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.343 7.453 -10.675 1.00 0.00 O ATOM 1219 NE2 GLN A 84 9.595 8.771 -10.146 1.00 0.00 N ATOM 0 H GLN A 84 11.730 5.077 -5.635 1.00 0.00 H new ATOM 0 HA GLN A 84 13.358 7.162 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.061 6.198 -8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.637 6.059 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.181 8.382 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.834 8.798 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.087 9.257 -9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.270 8.829 -11.111 1.00 0.00 H new ATOM 1228 N GLU A 85 12.259 9.000 -5.719 1.00 0.00 N ATOM 1229 CA GLU A 85 11.784 10.036 -4.818 1.00 0.00 C ATOM 1230 C GLU A 85 10.684 10.861 -5.491 1.00 0.00 C ATOM 1231 O GLU A 85 10.892 11.418 -6.567 1.00 0.00 O ATOM 1232 CB GLU A 85 12.935 10.932 -4.356 1.00 0.00 C ATOM 1233 CG GLU A 85 12.410 12.153 -3.598 1.00 0.00 C ATOM 1234 CD GLU A 85 13.543 13.131 -3.283 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.618 12.642 -2.872 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.310 14.346 -3.459 1.00 0.00 O ATOM 0 H GLU A 85 12.964 9.308 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 85 11.363 9.556 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.608 10.363 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.516 11.257 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.647 12.654 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.933 11.833 -2.672 1.00 0.00 H new ATOM 1243 N LEU A 86 9.538 10.912 -4.828 1.00 0.00 N ATOM 1244 CA LEU A 86 8.405 11.659 -5.348 1.00 0.00 C ATOM 1245 C LEU A 86 8.580 13.141 -5.013 1.00 0.00 C ATOM 1246 O LEU A 86 9.634 13.552 -4.529 1.00 0.00 O ATOM 1247 CB LEU A 86 7.091 11.063 -4.838 1.00 0.00 C ATOM 1248 CG LEU A 86 6.528 9.892 -5.645 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.001 9.950 -5.703 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.153 9.836 -7.041 1.00 0.00 C ATOM 0 H LEU A 86 9.370 10.448 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 86 8.363 11.581 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.240 10.732 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.342 11.854 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 86 6.796 8.967 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.627 9.106 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.596 9.904 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.690 10.881 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.735 8.994 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.938 10.762 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.232 9.711 -6.952 1.00 0.00 H new ATOM 1262 N LYS A 87 7.531 13.904 -5.283 1.00 0.00 N ATOM 1263 CA LYS A 87 7.555 15.332 -5.016 1.00 0.00 C ATOM 1264 C LYS A 87 6.140 15.807 -4.679 1.00 0.00 C ATOM 1265 O LYS A 87 5.178 15.054 -4.820 1.00 0.00 O ATOM 1266 CB LYS A 87 8.195 16.085 -6.184 1.00 0.00 C ATOM 1267 CG LYS A 87 9.636 16.483 -5.856 1.00 0.00 C ATOM 1268 CD LYS A 87 10.428 16.776 -7.131 1.00 0.00 C ATOM 1269 CE LYS A 87 10.217 18.221 -7.588 1.00 0.00 C ATOM 1270 NZ LYS A 87 11.517 18.907 -7.755 1.00 0.00 N ATOM 0 H LYS A 87 6.659 13.560 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 87 8.179 15.547 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.181 15.459 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.610 16.977 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.636 17.363 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.121 15.681 -5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.489 16.598 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.118 16.092 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.669 18.234 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.609 18.754 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.355 19.886 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.027 18.911 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.084 18.407 -8.469 1.00 0.00 H new ATOM 1284 N PRO A 88 6.056 17.088 -4.230 1.00 0.00 N ATOM 1285 CA PRO A 88 4.775 17.673 -3.872 1.00 0.00 C ATOM 1286 C PRO A 88 3.964 18.022 -5.121 1.00 0.00 C ATOM 1287 O PRO A 88 4.035 19.144 -5.619 1.00 0.00 O ATOM 1288 CB PRO A 88 5.120 18.890 -3.029 1.00 0.00 C ATOM 1289 CG PRO A 88 6.575 19.207 -3.331 1.00 0.00 C ATOM 1290 CD PRO A 88 7.174 18.010 -4.051 1.00 0.00 C ATOM 0 HA PRO A 88 4.140 16.985 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.476 19.733 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.977 18.684 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.650 20.101 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.120 19.410 -2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.606 18.299 -5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.973 17.555 -3.466 1.00 0.00 H new ATOM 1298 N GLY A 89 3.210 17.039 -5.592 1.00 0.00 N ATOM 1299 CA GLY A 89 2.386 17.228 -6.774 1.00 0.00 C ATOM 1300 C GLY A 89 2.678 16.153 -7.824 1.00 0.00 C ATOM 1301 O GLY A 89 2.090 16.159 -8.904 1.00 0.00 O ATOM 0 H GLY A 89 3.153 16.109 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.332 17.194 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.572 18.215 -7.197 1.00 0.00 H new ATOM 1305 N LEU A 90 3.587 15.257 -7.469 1.00 0.00 N ATOM 1306 CA LEU A 90 3.965 14.179 -8.367 1.00 0.00 C ATOM 1307 C LEU A 90 3.035 12.984 -8.142 1.00 0.00 C ATOM 1308 O LEU A 90 2.108 13.058 -7.337 1.00 0.00 O ATOM 1309 CB LEU A 90 5.448 13.842 -8.206 1.00 0.00 C ATOM 1310 CG LEU A 90 6.201 13.494 -9.492 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.857 14.478 -10.612 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.708 13.414 -9.241 1.00 0.00 C ATOM 0 H LEU A 90 4.073 15.255 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 90 3.843 14.488 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.944 14.691 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.536 13.001 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 90 5.877 12.506 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.405 14.208 -11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.786 14.441 -10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.134 15.487 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.219 13.165 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.068 14.376 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.913 12.644 -8.497 1.00 0.00 H new ATOM 1324 N SER A 91 3.316 11.912 -8.868 1.00 0.00 N ATOM 1325 CA SER A 91 2.516 10.704 -8.758 1.00 0.00 C ATOM 1326 C SER A 91 3.324 9.496 -9.238 1.00 0.00 C ATOM 1327 O SER A 91 3.970 9.553 -10.283 1.00 0.00 O ATOM 1328 CB SER A 91 1.218 10.827 -9.559 1.00 0.00 C ATOM 1329 OG SER A 91 1.106 12.093 -10.202 1.00 0.00 O ATOM 0 H SER A 91 4.086 11.855 -9.534 1.00 0.00 H new ATOM 0 HA SER A 91 2.252 10.563 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.177 10.035 -10.307 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.367 10.681 -8.894 1.00 0.00 H new ATOM 0 HG SER A 91 0.265 12.132 -10.704 1.00 0.00 H new ATOM 1335 N GLY A 92 3.260 8.432 -8.452 1.00 0.00 N ATOM 1336 CA GLY A 92 3.978 7.212 -8.784 1.00 0.00 C ATOM 1337 C GLY A 92 3.098 5.981 -8.560 1.00 0.00 C ATOM 1338 O GLY A 92 1.917 6.106 -8.241 1.00 0.00 O ATOM 0 H GLY A 92 2.722 8.389 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.302 7.248 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.877 7.137 -8.173 1.00 0.00 H new ATOM 1342 N SER A 93 3.708 4.818 -8.737 1.00 0.00 N ATOM 1343 CA SER A 93 2.995 3.564 -8.559 1.00 0.00 C ATOM 1344 C SER A 93 3.837 2.598 -7.724 1.00 0.00 C ATOM 1345 O SER A 93 5.064 2.686 -7.715 1.00 0.00 O ATOM 1346 CB SER A 93 2.645 2.933 -9.908 1.00 0.00 C ATOM 1347 OG SER A 93 3.772 2.870 -10.777 1.00 0.00 O ATOM 0 H SER A 93 4.688 4.718 -9.002 1.00 0.00 H new ATOM 0 HA SER A 93 2.063 3.772 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.254 1.928 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.852 3.511 -10.384 1.00 0.00 H new ATOM 0 HG SER A 93 3.507 2.459 -11.627 1.00 0.00 H new ATOM 1353 N LEU A 94 3.145 1.697 -7.042 1.00 0.00 N ATOM 1354 CA LEU A 94 3.814 0.715 -6.206 1.00 0.00 C ATOM 1355 C LEU A 94 3.585 -0.683 -6.785 1.00 0.00 C ATOM 1356 O LEU A 94 2.520 -0.965 -7.331 1.00 0.00 O ATOM 1357 CB LEU A 94 3.366 0.858 -4.750 1.00 0.00 C ATOM 1358 CG LEU A 94 4.254 1.728 -3.857 1.00 0.00 C ATOM 1359 CD1 LEU A 94 5.546 0.995 -3.488 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.530 3.082 -4.513 1.00 0.00 C ATOM 0 H LEU A 94 2.127 1.627 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 94 4.890 0.887 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.358 1.272 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.306 -0.137 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 94 3.719 1.923 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.159 1.635 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.303 0.078 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.097 0.750 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.163 3.681 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.036 2.928 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.588 3.603 -4.683 1.00 0.00 H new ATOM 1372 N SER A 95 4.603 -1.520 -6.646 1.00 0.00 N ATOM 1373 CA SER A 95 4.526 -2.881 -7.149 1.00 0.00 C ATOM 1374 C SER A 95 4.480 -3.868 -5.981 1.00 0.00 C ATOM 1375 O SER A 95 4.668 -3.481 -4.829 1.00 0.00 O ATOM 1376 CB SER A 95 5.710 -3.197 -8.065 1.00 0.00 C ATOM 1377 OG SER A 95 6.083 -2.075 -8.861 1.00 0.00 O ATOM 0 H SER A 95 5.485 -1.282 -6.192 1.00 0.00 H new ATOM 0 HA SER A 95 3.612 -2.978 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.561 -3.513 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.453 -4.033 -8.715 1.00 0.00 H new ATOM 0 HG SER A 95 6.539 -1.413 -8.300 1.00 0.00 H new ATOM 1383 N LEU A 96 4.230 -5.125 -6.320 1.00 0.00 N ATOM 1384 CA LEU A 96 4.157 -6.170 -5.314 1.00 0.00 C ATOM 1385 C LEU A 96 5.549 -6.400 -4.721 1.00 0.00 C ATOM 1386 O LEU A 96 6.466 -6.820 -5.426 1.00 0.00 O ATOM 1387 CB LEU A 96 3.522 -7.433 -5.898 1.00 0.00 C ATOM 1388 CG LEU A 96 2.041 -7.648 -5.580 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.464 -8.801 -6.404 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.827 -7.854 -4.079 1.00 0.00 C ATOM 0 H LEU A 96 4.076 -5.442 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 96 3.507 -5.864 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.641 -7.408 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.080 -8.297 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 96 1.497 -6.747 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.410 -8.932 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.564 -8.575 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.007 -9.718 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.766 -8.005 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.386 -8.729 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.176 -6.975 -3.538 1.00 0.00 H new ATOM 1402 N GLY A 97 5.663 -6.115 -3.432 1.00 0.00 N ATOM 1403 CA GLY A 97 6.928 -6.285 -2.738 1.00 0.00 C ATOM 1404 C GLY A 97 7.656 -4.948 -2.589 1.00 0.00 C ATOM 1405 O GLY A 97 8.541 -4.809 -1.745 1.00 0.00 O ATOM 0 H GLY A 97 4.900 -5.768 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.751 -6.719 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.557 -6.986 -3.287 1.00 0.00 H new ATOM 1409 N ASP A 98 7.258 -3.998 -3.422 1.00 0.00 N ATOM 1410 CA ASP A 98 7.862 -2.677 -3.394 1.00 0.00 C ATOM 1411 C ASP A 98 7.567 -2.014 -2.047 1.00 0.00 C ATOM 1412 O ASP A 98 6.623 -2.396 -1.357 1.00 0.00 O ATOM 1413 CB ASP A 98 7.287 -1.785 -4.496 1.00 0.00 C ATOM 1414 CG ASP A 98 7.841 -2.049 -5.898 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.825 -2.814 -5.983 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.268 -1.479 -6.851 1.00 0.00 O ATOM 0 H ASP A 98 6.524 -4.117 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 98 8.935 -2.794 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.205 -1.914 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.478 -0.744 -4.236 1.00 0.00 H new ATOM 1421 N VAL A 99 8.391 -1.031 -1.714 1.00 0.00 N ATOM 1422 CA VAL A 99 8.230 -0.312 -0.462 1.00 0.00 C ATOM 1423 C VAL A 99 7.774 1.119 -0.756 1.00 0.00 C ATOM 1424 O VAL A 99 8.079 1.666 -1.814 1.00 0.00 O ATOM 1425 CB VAL A 99 9.527 -0.372 0.347 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.387 0.391 1.665 1.00 0.00 C ATOM 1427 CG2 VAL A 99 9.953 -1.821 0.594 1.00 0.00 C ATOM 0 H VAL A 99 9.172 -0.716 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 99 7.459 -0.780 0.151 1.00 0.00 H new ATOM 0 HB VAL A 99 10.309 0.112 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.323 0.332 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.153 1.435 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.585 -0.050 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.878 -1.835 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.171 -2.341 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.114 -2.321 -0.361 1.00 0.00 H new ATOM 1437 N LEU A 100 7.051 1.684 0.200 1.00 0.00 N ATOM 1438 CA LEU A 100 6.550 3.040 0.057 1.00 0.00 C ATOM 1439 C LEU A 100 6.854 3.828 1.333 1.00 0.00 C ATOM 1440 O LEU A 100 6.006 3.933 2.218 1.00 0.00 O ATOM 1441 CB LEU A 100 5.068 3.027 -0.320 1.00 0.00 C ATOM 1442 CG LEU A 100 4.334 4.364 -0.203 1.00 0.00 C ATOM 1443 CD1 LEU A 100 5.101 5.475 -0.923 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.893 4.245 -0.704 1.00 0.00 C ATOM 0 H LEU A 100 6.800 1.227 1.077 1.00 0.00 H new ATOM 0 HA LEU A 100 7.058 3.550 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.978 2.675 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.559 2.299 0.312 1.00 0.00 H new ATOM 0 HG LEU A 100 4.286 4.636 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.558 6.415 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.091 5.580 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.201 5.223 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.394 5.210 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.896 3.939 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.361 3.502 -0.110 1.00 0.00 H new ATOM 1456 N TYR A 101 8.065 4.362 1.386 1.00 0.00 N ATOM 1457 CA TYR A 101 8.491 5.138 2.539 1.00 0.00 C ATOM 1458 C TYR A 101 7.593 6.360 2.739 1.00 0.00 C ATOM 1459 O TYR A 101 7.773 7.382 2.079 1.00 0.00 O ATOM 1460 CB TYR A 101 9.913 5.610 2.228 1.00 0.00 C ATOM 1461 CG TYR A 101 10.934 4.476 2.117 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.414 3.865 3.257 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.375 4.064 0.876 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.376 2.798 3.153 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.336 2.997 0.771 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.789 2.417 1.915 1.00 0.00 C ATOM 1467 OH TYR A 101 13.697 1.409 1.816 1.00 0.00 O ATOM 0 H TYR A 101 8.765 4.273 0.649 1.00 0.00 H new ATOM 0 HA TYR A 101 8.439 4.537 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.903 6.169 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.235 6.300 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.068 4.187 4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.999 4.542 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.760 2.312 4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.689 2.665 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 101 13.899 1.243 0.872 1.00 0.00 H new ATOM 1477 N LEU A 102 6.645 6.215 3.653 1.00 0.00 N ATOM 1478 CA LEU A 102 5.719 7.295 3.949 1.00 0.00 C ATOM 1479 C LEU A 102 6.454 8.633 3.851 1.00 0.00 C ATOM 1480 O LEU A 102 6.071 9.500 3.067 1.00 0.00 O ATOM 1481 CB LEU A 102 5.039 7.063 5.300 1.00 0.00 C ATOM 1482 CG LEU A 102 3.509 7.042 5.287 1.00 0.00 C ATOM 1483 CD1 LEU A 102 2.974 5.756 5.921 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.938 8.293 5.956 1.00 0.00 C ATOM 0 H LEU A 102 6.498 5.366 4.199 1.00 0.00 H new ATOM 0 HA LEU A 102 4.914 7.319 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.392 6.114 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.366 7.843 5.987 1.00 0.00 H new ATOM 0 HG LEU A 102 3.175 7.052 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.884 5.766 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.340 4.895 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.316 5.690 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.849 8.253 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.278 8.340 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.280 9.179 5.422 1.00 0.00 H new ATOM 1496 N VAL A 103 7.497 8.759 4.659 1.00 0.00 N ATOM 1497 CA VAL A 103 8.289 9.977 4.673 1.00 0.00 C ATOM 1498 C VAL A 103 9.620 9.706 5.379 1.00 0.00 C ATOM 1499 O VAL A 103 9.829 8.622 5.922 1.00 0.00 O ATOM 1500 CB VAL A 103 7.492 11.112 5.317 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.329 10.884 6.821 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.143 12.468 5.035 1.00 0.00 C ATOM 0 H VAL A 103 7.812 8.038 5.308 1.00 0.00 H new ATOM 0 HA VAL A 103 8.518 10.295 3.656 1.00 0.00 H new ATOM 0 HB VAL A 103 6.498 11.118 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.759 11.706 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.801 9.946 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.312 10.838 7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.556 13.258 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.155 12.477 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.182 12.636 3.959 1.00 0.00 H new ATOM 1512 N ASN A 104 10.484 10.709 5.347 1.00 0.00 N ATOM 1513 CA ASN A 104 11.789 10.593 5.977 1.00 0.00 C ATOM 1514 C ASN A 104 12.390 9.225 5.647 1.00 0.00 C ATOM 1515 O ASN A 104 13.098 8.640 6.465 1.00 0.00 O ATOM 1516 CB ASN A 104 11.678 10.705 7.499 1.00 0.00 C ATOM 1517 CG ASN A 104 12.544 11.849 8.029 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.736 11.710 8.248 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.880 12.985 8.223 1.00 0.00 N ATOM 0 H ASN A 104 10.307 11.606 4.895 1.00 0.00 H new ATOM 0 HA ASN A 104 12.418 11.400 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.638 10.871 7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.987 9.767 7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.369 13.808 8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.882 13.033 8.019 1.00 0.00 H new ATOM 1526 N GLY A 105 12.086 8.755 4.446 1.00 0.00 N ATOM 1527 CA GLY A 105 12.587 7.467 3.997 1.00 0.00 C ATOM 1528 C GLY A 105 12.337 6.385 5.049 1.00 0.00 C ATOM 1529 O GLY A 105 13.000 5.349 5.049 1.00 0.00 O ATOM 0 H GLY A 105 11.499 9.243 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.101 7.189 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.655 7.540 3.791 1.00 0.00 H new ATOM 1533 N LEU A 106 11.378 6.662 5.921 1.00 0.00 N ATOM 1534 CA LEU A 106 11.032 5.725 6.976 1.00 0.00 C ATOM 1535 C LEU A 106 9.568 5.308 6.821 1.00 0.00 C ATOM 1536 O LEU A 106 8.928 5.632 5.822 1.00 0.00 O ATOM 1537 CB LEU A 106 11.362 6.317 8.347 1.00 0.00 C ATOM 1538 CG LEU A 106 12.848 6.413 8.697 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.050 7.094 10.052 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.514 5.036 8.642 1.00 0.00 C ATOM 0 H LEU A 106 10.830 7.522 5.918 1.00 0.00 H new ATOM 0 HA LEU A 106 11.632 4.819 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.931 7.317 8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.868 5.714 9.109 1.00 0.00 H new ATOM 0 HG LEU A 106 13.336 7.037 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.115 7.149 10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.633 8.101 10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.545 6.518 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.570 5.132 8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.029 4.369 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.418 4.625 7.637 1.00 0.00 H new ATOM 1552 N TYR A 107 9.080 4.595 7.826 1.00 0.00 N ATOM 1553 CA TYR A 107 7.703 4.131 7.815 1.00 0.00 C ATOM 1554 C TYR A 107 7.319 3.587 6.437 1.00 0.00 C ATOM 1555 O TYR A 107 6.414 4.111 5.790 1.00 0.00 O ATOM 1556 CB TYR A 107 6.842 5.357 8.125 1.00 0.00 C ATOM 1557 CG TYR A 107 7.478 6.329 9.120 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.852 5.888 10.373 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.679 7.648 8.764 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.451 6.804 11.309 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.278 8.563 9.700 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.634 8.096 10.927 1.00 0.00 C ATOM 1563 OH TYR A 107 9.200 8.960 11.811 1.00 0.00 O ATOM 0 H TYR A 107 9.614 4.327 8.653 1.00 0.00 H new ATOM 0 HA TYR A 107 7.563 3.328 8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.636 5.888 7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 107 5.883 5.024 8.521 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.696 4.856 10.652 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.387 7.993 7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.748 6.472 12.293 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.441 9.597 9.434 1.00 0.00 H new ATOM 0 HH TYR A 107 9.097 9.878 11.483 1.00 0.00 H new ATOM 1573 N PRO A 108 8.046 2.517 6.019 1.00 0.00 N ATOM 1574 CA PRO A 108 7.790 1.897 4.730 1.00 0.00 C ATOM 1575 C PRO A 108 6.512 1.058 4.769 1.00 0.00 C ATOM 1576 O PRO A 108 6.195 0.448 5.789 1.00 0.00 O ATOM 1577 CB PRO A 108 9.033 1.072 4.437 1.00 0.00 C ATOM 1578 CG PRO A 108 9.736 0.889 5.772 1.00 0.00 C ATOM 1579 CD PRO A 108 9.126 1.870 6.759 1.00 0.00 C ATOM 0 HA PRO A 108 7.616 2.627 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.769 0.109 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.679 1.580 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.618 -0.134 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 108 10.806 1.068 5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 108 8.748 1.358 7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 108 9.863 2.597 7.101 1.00 0.00 H new ATOM 1587 N LEU A 109 5.811 1.053 3.644 1.00 0.00 N ATOM 1588 CA LEU A 109 4.574 0.298 3.537 1.00 0.00 C ATOM 1589 C LEU A 109 4.689 -0.701 2.384 1.00 0.00 C ATOM 1590 O LEU A 109 4.226 -0.432 1.276 1.00 0.00 O ATOM 1591 CB LEU A 109 3.378 1.245 3.413 1.00 0.00 C ATOM 1592 CG LEU A 109 2.891 1.885 4.715 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.324 0.829 5.666 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.002 2.709 5.370 1.00 0.00 C ATOM 0 H LEU A 109 6.076 1.560 2.799 1.00 0.00 H new ATOM 0 HA LEU A 109 4.401 -0.281 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.641 2.041 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.548 0.694 2.970 1.00 0.00 H new ATOM 0 HG LEU A 109 2.079 2.572 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.985 1.310 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.484 0.324 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.099 0.100 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.630 3.153 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.850 2.062 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.318 3.499 4.689 1.00 0.00 H new ATOM 1606 N THR A 110 5.309 -1.832 2.683 1.00 0.00 N ATOM 1607 CA THR A 110 5.491 -2.873 1.686 1.00 0.00 C ATOM 1608 C THR A 110 4.136 -3.357 1.167 1.00 0.00 C ATOM 1609 O THR A 110 3.213 -3.584 1.948 1.00 0.00 O ATOM 1610 CB THR A 110 6.335 -3.985 2.311 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.616 -3.388 2.494 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.597 -5.138 1.340 1.00 0.00 C ATOM 0 H THR A 110 5.692 -2.051 3.603 1.00 0.00 H new ATOM 0 HA THR A 110 6.022 -2.495 0.812 1.00 0.00 H new ATOM 0 HB THR A 110 5.832 -4.366 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.226 -4.040 2.897 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.200 -5.900 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.648 -5.573 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.130 -4.764 0.466 1.00 0.00 H new ATOM 1620 N LEU A 111 4.058 -3.502 -0.148 1.00 0.00 N ATOM 1621 CA LEU A 111 2.831 -3.955 -0.780 1.00 0.00 C ATOM 1622 C LEU A 111 2.835 -5.483 -0.855 1.00 0.00 C ATOM 1623 O LEU A 111 3.873 -6.093 -1.110 1.00 0.00 O ATOM 1624 CB LEU A 111 2.644 -3.274 -2.137 1.00 0.00 C ATOM 1625 CG LEU A 111 1.491 -3.796 -2.997 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.171 -3.758 -2.225 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.404 -3.033 -4.320 1.00 0.00 C ATOM 0 H LEU A 111 4.825 -3.314 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 111 1.966 -3.667 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.491 -2.208 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.569 -3.378 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 111 1.692 -4.839 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.632 -4.134 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.252 -4.381 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.049 -2.732 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.576 -3.424 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.238 -1.975 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.335 -3.156 -4.873 1.00 0.00 H new ATOM 1639 N ARG A 112 1.664 -6.059 -0.627 1.00 0.00 N ATOM 1640 CA ARG A 112 1.519 -7.504 -0.666 1.00 0.00 C ATOM 1641 C ARG A 112 0.162 -7.886 -1.259 1.00 0.00 C ATOM 1642 O ARG A 112 -0.810 -7.146 -1.122 1.00 0.00 O ATOM 1643 CB ARG A 112 1.644 -8.107 0.735 1.00 0.00 C ATOM 1644 CG ARG A 112 3.069 -7.958 1.271 1.00 0.00 C ATOM 1645 CD ARG A 112 4.011 -8.971 0.617 1.00 0.00 C ATOM 1646 NE ARG A 112 5.418 -8.617 0.910 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.452 -9.455 0.750 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.243 -10.699 0.300 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.695 -9.047 1.041 1.00 0.00 N ATOM 0 H ARG A 112 0.806 -5.550 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 112 2.317 -7.901 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.944 -7.615 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.371 -9.162 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.429 -6.947 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.071 -8.099 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.795 -9.973 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.849 -8.988 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 112 5.613 -7.677 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.297 -11.009 0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.030 -11.336 0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.854 -8.100 1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.482 -9.684 0.920 1.00 0.00 H new ATOM 1663 N TRP A 113 0.139 -9.042 -1.907 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.083 -9.532 -2.521 1.00 0.00 C ATOM 1665 C TRP A 113 -1.337 -10.949 -2.004 1.00 0.00 C ATOM 1666 O TRP A 113 -0.429 -11.778 -1.983 1.00 0.00 O ATOM 1667 CB TRP A 113 -0.996 -9.459 -4.047 1.00 0.00 C ATOM 1668 CG TRP A 113 -1.857 -10.497 -4.770 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -1.714 -11.829 -4.772 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.007 -10.233 -5.601 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -2.684 -12.441 -5.541 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.495 -11.439 -6.061 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.614 -9.014 -5.952 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.612 -11.545 -6.898 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.730 -9.137 -6.789 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.234 -10.344 -7.261 1.00 0.00 C ATOM 0 H TRP A 113 0.948 -9.653 -2.020 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.931 -8.905 -2.247 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.298 -8.463 -4.371 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.043 -9.591 -4.348 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -0.938 -12.358 -4.239 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -2.786 -13.444 -5.698 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.249 -8.059 -5.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.975 -12.501 -7.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.235 -8.231 -7.089 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.101 -10.355 -7.905 1.00 0.00 H new ATOM 1687 N SER A 114 -2.577 -11.183 -1.600 1.00 0.00 N ATOM 1688 CA SER A 114 -2.963 -12.486 -1.085 1.00 0.00 C ATOM 1689 C SER A 114 -3.260 -13.440 -2.243 1.00 0.00 C ATOM 1690 O SER A 114 -3.789 -13.025 -3.273 1.00 0.00 O ATOM 1691 CB SER A 114 -4.178 -12.375 -0.162 1.00 0.00 C ATOM 1692 OG SER A 114 -4.838 -13.627 0.004 1.00 0.00 O ATOM 0 H SER A 114 -3.327 -10.492 -1.619 1.00 0.00 H new ATOM 0 HA SER A 114 -2.133 -12.883 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.861 -12.000 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.879 -11.647 -0.571 1.00 0.00 H new ATOM 0 HG SER A 114 -5.607 -13.515 0.601 1.00 0.00 H new ATOM 1698 N GLY A 115 -2.908 -14.700 -2.035 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.131 -15.716 -3.049 1.00 0.00 C ATOM 1700 C GLY A 115 -3.103 -17.118 -2.436 1.00 0.00 C ATOM 1701 O GLY A 115 -3.449 -17.296 -1.269 1.00 0.00 O ATOM 0 H GLY A 115 -2.470 -15.040 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.092 -15.546 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.366 -15.638 -3.822 1.00 0.00 H new ATOM 1705 N PRO A 116 -2.678 -18.103 -3.272 1.00 0.00 N ATOM 1706 CA PRO A 116 -2.601 -19.483 -2.825 1.00 0.00 C ATOM 1707 C PRO A 116 -1.396 -19.695 -1.906 1.00 0.00 C ATOM 1708 O PRO A 116 -0.390 -20.270 -2.319 1.00 0.00 O ATOM 1709 CB PRO A 116 -2.528 -20.307 -4.100 1.00 0.00 C ATOM 1710 CG PRO A 116 -2.099 -19.343 -5.195 1.00 0.00 C ATOM 1711 CD PRO A 116 -2.261 -17.929 -4.661 1.00 0.00 C ATOM 0 HA PRO A 116 -3.461 -19.779 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.814 -21.124 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -3.494 -20.756 -4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.063 -19.527 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -2.707 -19.486 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -1.327 -17.371 -4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.005 -17.373 -5.231 1.00 0.00 H new ATOM 1719 N SER A 117 -1.538 -19.219 -0.678 1.00 0.00 N ATOM 1720 CA SER A 117 -0.473 -19.350 0.303 1.00 0.00 C ATOM 1721 C SER A 117 -1.069 -19.565 1.695 1.00 0.00 C ATOM 1722 O SER A 117 -0.775 -20.563 2.352 1.00 0.00 O ATOM 1723 CB SER A 117 0.434 -18.118 0.298 1.00 0.00 C ATOM 1724 OG SER A 117 1.726 -18.408 -0.228 1.00 0.00 O ATOM 0 H SER A 117 -2.374 -18.742 -0.339 1.00 0.00 H new ATOM 0 HA SER A 117 0.134 -20.215 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.030 -17.329 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.534 -17.737 1.314 1.00 0.00 H new ATOM 0 HG SER A 117 2.274 -17.596 -0.216 1.00 0.00 H new ATOM 1730 N SER A 118 -1.894 -18.613 2.105 1.00 0.00 N ATOM 1731 CA SER A 118 -2.533 -18.687 3.408 1.00 0.00 C ATOM 1732 C SER A 118 -4.002 -19.085 3.249 1.00 0.00 C ATOM 1733 O SER A 118 -4.605 -18.840 2.206 1.00 0.00 O ATOM 1734 CB SER A 118 -2.422 -17.354 4.152 1.00 0.00 C ATOM 1735 OG SER A 118 -1.762 -17.496 5.407 1.00 0.00 O ATOM 0 H SER A 118 -2.135 -17.786 1.558 1.00 0.00 H new ATOM 0 HA SER A 118 -2.019 -19.446 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.878 -16.639 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.419 -16.944 4.311 1.00 0.00 H new ATOM 0 HG SER A 118 -1.710 -16.623 5.850 1.00 0.00 H new ATOM 1741 N GLY A 119 -4.534 -19.693 4.299 1.00 0.00 N ATOM 1742 CA GLY A 119 -5.920 -20.127 4.289 1.00 0.00 C ATOM 1743 C GLY A 119 -6.167 -21.198 5.354 1.00 0.00 C ATOM 1744 O GLY A 119 -5.257 -21.946 5.710 1.00 0.00 O ATOM 0 H GLY A 119 -4.030 -19.895 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.573 -19.273 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -6.174 -20.522 3.305 1.00 0.00 H new TER 1748 GLY A 119