USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 903 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: B 126 GLN : amide:sc= -3.28! C(o=-3.5!,f=-7.2!) USER MOD Set 1.2: B 155 GLN : amide:sc= -0.211 X(o=-3.5,f=-3.1) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.4 K(o=-1.3,f=-5!) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.93 K(o=-1.3,f=-0.51) USER MOD Set 3.1: A 26 GLN : amide:sc= -6.98! C(o=-9.3!,f=-3.6!) USER MOD Set 3.2: A 55 GLN : amide:sc= -2.32 X(o=-9.3,f=-9.1) USER MOD Set 4.1: A 18 HIS : no HE2:sc= 0.0475 K(o=-1.1,f=-3.4) USER MOD Set 4.2: B 110 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 1 VAL N :NH3+ 176:sc= -0.62 (180deg=-0.629) USER MOD Single : A 3 ASN : amide:sc= -4.55! K(o=-4.5!,f=-0.27) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0651 (180deg=-0.331) USER MOD Single : A 6 ASN : amide:sc= -0.493 K(o=-0.49,f=-4.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.47! X(o=-2.5!,f=-2.5) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 11 ASN : amide:sc= -3.36 K(o=-3.4,f=-6.1!) USER MOD Single : A 14 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 21 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.71) USER MOD Single : A 23 ASN : amide:sc= -0.193 K(o=-0.19,f=-12!) USER MOD Single : A 28 ASN : amide:sc= -3.51 K(o=-3.5,f=-5.1!) USER MOD Single : A 32 GLN : amide:sc= -4.32! K(o=-4.3!,f=-1.8) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.149) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 0.778 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0438 (180deg=-0.286) USER MOD Single : A 52 ASN : amide:sc= -1.48 K(o=-1.5,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0799 (180deg=-0.385) USER MOD Single : B 103 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.26) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.49) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 170:sc= -0.158 USER MOD Single : B 113 SER OG : rot 64:sc= 0.214 USER MOD Single : B 118 THR OG1 : rot -16:sc= 0.843 USER MOD Single : B 121 ASN : amide:sc= -2.8 K(o=-2.8,f=-3.8!) USER MOD Single : B 123 ASN : amide:sc= -4! K(o=-4!,f=-0.66) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot -7:sc= -0.161 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.19) USER MOD Single : B 141 SER OG : rot 130:sc= -1.02 USER MOD Single : B 143 ASN : amide:sc= -1.35! K(o=-1.4!,f=0) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ -113:sc= 0.969 (180deg=-0.367) USER MOD Single : B 152 ASN : amide:sc= -5.42! C(o=-5.4!,f=-15!) USER MOD Single : B 158 LYS NZ :NH3+ -167:sc= -0.0524 (180deg=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.504 -7.890 9.945 1.00 6.84 N ATOM 2 CA VAL A 1 -8.094 -7.831 10.408 1.00 6.39 C ATOM 3 C VAL A 1 -7.576 -9.219 10.768 1.00 5.45 C ATOM 4 O VAL A 1 -6.469 -9.365 11.287 1.00 5.57 O ATOM 5 CB VAL A 1 -7.946 -6.909 11.634 1.00 7.06 C ATOM 6 CG1 VAL A 1 -8.259 -5.468 11.261 1.00 7.37 C ATOM 7 CG2 VAL A 1 -8.845 -7.379 12.767 1.00 7.36 C ATOM 0 H1 VAL A 1 -9.853 -6.926 9.771 1.00 6.84 H new ATOM 0 H2 VAL A 1 -9.558 -8.441 9.065 1.00 6.84 H new ATOM 0 H3 VAL A 1 -10.090 -8.344 10.674 1.00 6.84 H new ATOM 0 HA VAL A 1 -7.506 -7.428 9.584 1.00 6.39 H new ATOM 0 HB VAL A 1 -6.912 -6.955 11.976 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -8.149 -4.833 12.140 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -7.570 -5.135 10.484 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -9.282 -5.402 10.891 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -8.727 -6.716 13.624 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -9.884 -7.364 12.437 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -8.569 -8.394 13.053 1.00 7.36 H new ATOM 19 N ASP A 2 -8.385 -10.237 10.488 1.00 4.87 N ATOM 20 CA ASP A 2 -8.012 -11.616 10.781 1.00 4.23 C ATOM 21 C ASP A 2 -8.637 -12.572 9.768 1.00 3.33 C ATOM 22 O ASP A 2 -9.144 -13.634 10.129 1.00 3.72 O ATOM 23 CB ASP A 2 -8.448 -11.994 12.198 1.00 5.03 C ATOM 24 CG ASP A 2 -9.921 -11.732 12.441 1.00 5.73 C ATOM 25 OD1 ASP A 2 -10.264 -10.599 12.841 1.00 6.23 O ATOM 26 OD2 ASP A 2 -10.731 -12.659 12.232 1.00 6.07 O ATOM 0 H ASP A 2 -9.304 -10.132 10.058 1.00 4.87 H new ATOM 0 HA ASP A 2 -6.927 -11.699 10.711 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -8.237 -13.049 12.370 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -7.858 -11.429 12.919 1.00 5.03 H new ATOM 31 N ASN A 3 -8.594 -12.184 8.496 1.00 2.66 N ATOM 32 CA ASN A 3 -9.157 -12.999 7.429 1.00 2.31 C ATOM 33 C ASN A 3 -8.591 -12.592 6.070 1.00 1.47 C ATOM 34 O ASN A 3 -7.952 -13.395 5.388 1.00 2.12 O ATOM 35 CB ASN A 3 -10.683 -12.880 7.424 1.00 2.82 C ATOM 36 CG ASN A 3 -11.155 -11.476 7.745 1.00 3.16 C ATOM 37 OD1 ASN A 3 -11.332 -11.120 8.910 1.00 3.78 O ATOM 38 ND2 ASN A 3 -11.364 -10.669 6.712 1.00 3.18 N ATOM 0 H ASN A 3 -8.174 -11.309 8.181 1.00 2.66 H new ATOM 0 HA ASN A 3 -8.882 -14.037 7.613 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -11.064 -13.174 6.446 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -11.101 -13.576 8.151 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -11.684 -9.713 6.868 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -11.205 -11.005 5.762 1.00 3.18 H new ATOM 45 N LYS A 4 -8.827 -11.341 5.684 1.00 0.80 N ATOM 46 CA LYS A 4 -8.339 -10.830 4.407 1.00 1.31 C ATOM 47 C LYS A 4 -7.187 -9.854 4.617 1.00 1.28 C ATOM 48 O LYS A 4 -6.480 -9.500 3.674 1.00 2.13 O ATOM 49 CB LYS A 4 -9.472 -10.143 3.641 1.00 2.13 C ATOM 50 CG LYS A 4 -10.639 -11.064 3.317 1.00 2.28 C ATOM 51 CD LYS A 4 -10.221 -12.195 2.391 1.00 3.10 C ATOM 52 CE LYS A 4 -11.394 -13.102 2.056 1.00 3.72 C ATOM 53 NZ LYS A 4 -12.509 -12.355 1.411 1.00 4.09 N ATOM 0 H LYS A 4 -9.352 -10.663 6.237 1.00 0.80 H new ATOM 0 HA LYS A 4 -7.975 -11.674 3.822 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -9.838 -9.301 4.229 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -9.075 -9.734 2.712 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -11.042 -11.480 4.240 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -11.439 -10.488 2.851 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -9.806 -11.780 1.472 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -9.431 -12.779 2.862 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -11.059 -13.898 1.391 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -11.756 -13.578 2.967 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -13.170 -13.028 0.973 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -13.011 -11.793 2.128 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -12.126 -11.721 0.681 1.00 4.09 H new ATOM 67 N PHE A 5 -7.007 -9.423 5.863 1.00 0.53 N ATOM 68 CA PHE A 5 -5.940 -8.488 6.207 1.00 0.42 C ATOM 69 C PHE A 5 -5.317 -8.867 7.547 1.00 0.40 C ATOM 70 O PHE A 5 -5.422 -8.131 8.528 1.00 0.49 O ATOM 71 CB PHE A 5 -6.480 -7.055 6.256 1.00 0.34 C ATOM 72 CG PHE A 5 -7.174 -6.637 4.990 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.448 -6.370 3.840 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.553 -6.506 4.953 1.00 0.35 C ATOM 75 CE1 PHE A 5 -7.085 -5.979 2.677 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.195 -6.115 3.793 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.457 -5.878 2.644 1.00 0.40 C ATOM 0 H PHE A 5 -7.587 -9.707 6.652 1.00 0.53 H new ATOM 0 HA PHE A 5 -5.170 -8.541 5.437 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.176 -6.965 7.090 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.655 -6.370 6.453 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.373 -6.468 3.853 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.133 -6.712 5.841 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.506 -5.753 1.794 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.268 -5.995 3.782 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.958 -5.614 1.724 1.00 0.40 H new ATOM 87 N ASN A 6 -4.665 -10.027 7.575 1.00 0.35 N ATOM 88 CA ASN A 6 -4.025 -10.525 8.788 1.00 0.37 C ATOM 89 C ASN A 6 -2.900 -9.604 9.253 1.00 0.37 C ATOM 90 O ASN A 6 -2.713 -8.511 8.718 1.00 0.36 O ATOM 91 CB ASN A 6 -3.479 -11.935 8.554 1.00 0.36 C ATOM 92 CG ASN A 6 -4.573 -12.983 8.502 1.00 0.97 C ATOM 93 OD1 ASN A 6 -5.616 -12.842 9.141 1.00 1.73 O ATOM 94 ND2 ASN A 6 -4.339 -14.045 7.739 1.00 1.69 N ATOM 0 H ASN A 6 -4.566 -10.642 6.767 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.781 -10.552 9.572 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.919 -11.953 7.619 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.778 -12.186 9.350 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -5.038 -14.784 7.666 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -3.460 -14.121 7.226 1.00 1.69 H new ATOM 101 N LYS A 7 -2.154 -10.061 10.254 1.00 0.40 N ATOM 102 CA LYS A 7 -1.046 -9.290 10.808 1.00 0.43 C ATOM 103 C LYS A 7 0.101 -9.185 9.811 1.00 0.40 C ATOM 104 O LYS A 7 0.610 -8.095 9.550 1.00 0.38 O ATOM 105 CB LYS A 7 -0.551 -9.942 12.101 1.00 0.52 C ATOM 106 CG LYS A 7 0.579 -9.188 12.775 1.00 0.58 C ATOM 107 CD LYS A 7 0.148 -7.797 13.196 1.00 0.60 C ATOM 108 CE LYS A 7 1.335 -6.975 13.654 1.00 1.39 C ATOM 109 NZ LYS A 7 1.888 -7.462 14.947 1.00 1.90 N ATOM 0 H LYS A 7 -2.298 -10.967 10.700 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.406 -8.284 11.023 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.386 -10.025 12.797 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.218 -10.956 11.881 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.918 -9.744 13.649 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.427 -9.116 12.094 1.00 0.58 H new ATOM 0 HD2 LYS A 7 -0.345 -7.297 12.362 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.583 -7.867 14.002 1.00 0.60 H new ATOM 0 HE2 LYS A 7 2.114 -7.008 12.892 1.00 1.39 H new ATOM 0 HE3 LYS A 7 1.035 -5.932 13.758 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 2.698 -6.871 15.223 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 1.154 -7.407 15.681 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 2.199 -8.449 14.842 1.00 1.90 H new ATOM 123 N GLU A 8 0.503 -10.324 9.258 1.00 0.43 N ATOM 124 CA GLU A 8 1.593 -10.364 8.290 1.00 0.43 C ATOM 125 C GLU A 8 1.290 -9.478 7.088 1.00 0.37 C ATOM 126 O GLU A 8 2.203 -9.006 6.410 1.00 0.39 O ATOM 127 CB GLU A 8 1.847 -11.803 7.842 1.00 0.47 C ATOM 128 CG GLU A 8 2.119 -12.751 8.997 1.00 0.52 C ATOM 129 CD GLU A 8 2.427 -14.163 8.536 1.00 1.03 C ATOM 130 OE1 GLU A 8 1.470 -14.938 8.323 1.00 0.95 O ATOM 131 OE2 GLU A 8 3.623 -14.494 8.391 1.00 1.80 O ATOM 0 H GLU A 8 0.090 -11.233 9.464 1.00 0.43 H new ATOM 0 HA GLU A 8 2.492 -9.981 8.772 1.00 0.43 H new ATOM 0 HB2 GLU A 8 0.982 -12.161 7.283 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.697 -11.819 7.159 1.00 0.47 H new ATOM 0 HG2 GLU A 8 2.958 -12.373 9.582 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.252 -12.770 9.658 1.00 0.52 H new ATOM 138 N GLN A 9 0.006 -9.251 6.827 1.00 0.34 N ATOM 139 CA GLN A 9 -0.403 -8.407 5.712 1.00 0.33 C ATOM 140 C GLN A 9 -0.248 -6.936 6.073 1.00 0.30 C ATOM 141 O GLN A 9 0.026 -6.098 5.215 1.00 0.32 O ATOM 142 CB GLN A 9 -1.846 -8.701 5.312 1.00 0.36 C ATOM 143 CG GLN A 9 -1.977 -9.803 4.274 1.00 0.38 C ATOM 144 CD GLN A 9 -3.415 -10.054 3.870 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.111 -10.870 4.473 1.00 1.44 O ATOM 146 NE2 GLN A 9 -3.868 -9.350 2.838 1.00 0.50 N ATOM 0 H GLN A 9 -0.765 -9.638 7.371 1.00 0.34 H new ATOM 0 HA GLN A 9 0.243 -8.630 4.863 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.411 -8.982 6.201 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.299 -7.790 4.921 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.397 -9.536 3.391 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.549 -10.724 4.671 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.256 -8.684 2.367 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -4.828 -9.476 2.517 1.00 0.50 H new ATOM 155 N GLN A 10 -0.426 -6.631 7.355 1.00 0.27 N ATOM 156 CA GLN A 10 -0.294 -5.265 7.842 1.00 0.25 C ATOM 157 C GLN A 10 1.175 -4.901 7.980 1.00 0.23 C ATOM 158 O GLN A 10 1.562 -3.745 7.808 1.00 0.26 O ATOM 159 CB GLN A 10 -1.004 -5.108 9.186 1.00 0.26 C ATOM 160 CG GLN A 10 -1.268 -3.662 9.564 1.00 0.26 C ATOM 161 CD GLN A 10 -1.868 -3.522 10.948 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.595 -4.324 11.842 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.695 -2.499 11.132 1.00 0.89 N ATOM 0 H GLN A 10 -0.662 -7.314 8.075 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.759 -4.591 7.123 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -1.952 -5.646 9.153 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.400 -5.575 9.964 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.334 -3.102 9.519 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -1.943 -3.216 8.833 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -2.893 -1.859 10.363 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.132 -2.354 12.042 1.00 0.89 H new ATOM 172 N ASN A 11 1.987 -5.902 8.293 1.00 0.24 N ATOM 173 CA ASN A 11 3.422 -5.704 8.442 1.00 0.23 C ATOM 174 C ASN A 11 4.078 -5.563 7.076 1.00 0.21 C ATOM 175 O ASN A 11 4.912 -4.686 6.866 1.00 0.22 O ATOM 176 CB ASN A 11 4.048 -6.874 9.202 1.00 0.27 C ATOM 177 CG ASN A 11 3.511 -7.009 10.613 1.00 0.72 C ATOM 178 OD1 ASN A 11 3.159 -6.020 11.254 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.444 -8.242 11.102 1.00 0.82 N ATOM 0 H ASN A 11 1.675 -6.861 8.449 1.00 0.24 H new ATOM 0 HA ASN A 11 3.586 -4.789 9.011 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.860 -7.799 8.656 1.00 0.27 H new ATOM 0 HB3 ASN A 11 5.129 -6.740 9.240 1.00 0.27 H new ATOM 0 HD21 ASN A 11 3.089 -8.398 12.046 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.747 -9.033 10.534 1.00 0.82 H new ATOM 186 N ALA A 12 3.691 -6.434 6.149 1.00 0.19 N ATOM 187 CA ALA A 12 4.237 -6.406 4.797 1.00 0.18 C ATOM 188 C ALA A 12 3.939 -5.074 4.117 1.00 0.15 C ATOM 189 O ALA A 12 4.814 -4.473 3.497 1.00 0.20 O ATOM 190 CB ALA A 12 3.679 -7.559 3.975 1.00 0.22 C ATOM 0 H ALA A 12 3.001 -7.168 6.310 1.00 0.19 H new ATOM 0 HA ALA A 12 5.319 -6.518 4.865 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.096 -7.524 2.969 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.947 -8.505 4.446 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.594 -7.475 3.921 1.00 0.22 H new ATOM 196 N PHE A 13 2.697 -4.623 4.244 1.00 0.13 N ATOM 197 CA PHE A 13 2.270 -3.363 3.647 1.00 0.11 C ATOM 198 C PHE A 13 3.158 -2.209 4.103 1.00 0.11 C ATOM 199 O PHE A 13 3.817 -1.564 3.288 1.00 0.15 O ATOM 200 CB PHE A 13 0.811 -3.079 4.022 1.00 0.14 C ATOM 201 CG PHE A 13 0.279 -1.771 3.499 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.259 -1.685 2.223 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.327 -0.625 4.278 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.737 -0.483 1.736 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.151 0.578 3.795 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.723 0.640 2.545 1.00 0.11 C ATOM 0 H PHE A 13 1.965 -5.113 4.757 1.00 0.13 H new ATOM 0 HA PHE A 13 2.357 -3.451 2.564 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.187 -3.889 3.644 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.719 -3.087 5.108 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.305 -2.568 1.603 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.743 -0.673 5.274 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.120 -0.420 0.728 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.076 1.470 4.399 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.160 1.564 2.196 1.00 0.11 H new ATOM 216 N TYR A 14 3.187 -1.964 5.410 1.00 0.11 N ATOM 217 CA TYR A 14 3.980 -0.871 5.963 1.00 0.13 C ATOM 218 C TYR A 14 5.469 -1.043 5.680 1.00 0.13 C ATOM 219 O TYR A 14 6.147 -0.079 5.333 1.00 0.17 O ATOM 220 CB TYR A 14 3.733 -0.736 7.466 1.00 0.16 C ATOM 221 CG TYR A 14 2.391 -0.119 7.801 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.940 1.020 7.137 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.578 -0.670 8.782 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.720 1.589 7.447 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.355 -0.106 9.095 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.068 1.022 8.426 1.00 0.33 C ATOM 227 OH TYR A 14 -1.283 1.588 8.738 1.00 0.42 O ATOM 0 H TYR A 14 2.672 -2.506 6.104 1.00 0.11 H new ATOM 0 HA TYR A 14 3.659 0.045 5.467 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.797 -1.721 7.927 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.524 -0.127 7.904 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.554 1.465 6.368 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.906 -1.554 9.309 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.385 2.473 6.925 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.266 -0.548 9.860 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.714 1.067 9.447 1.00 0.42 H new ATOM 237 N GLU A 15 5.981 -2.261 5.830 1.00 0.11 N ATOM 238 CA GLU A 15 7.396 -2.516 5.571 1.00 0.12 C ATOM 239 C GLU A 15 7.754 -2.094 4.150 1.00 0.12 C ATOM 240 O GLU A 15 8.864 -1.627 3.891 1.00 0.19 O ATOM 241 CB GLU A 15 7.732 -3.993 5.789 1.00 0.13 C ATOM 242 CG GLU A 15 7.853 -4.379 7.255 1.00 0.19 C ATOM 243 CD GLU A 15 8.950 -3.614 7.969 1.00 1.16 C ATOM 244 OE1 GLU A 15 10.106 -4.085 7.957 1.00 1.08 O ATOM 245 OE2 GLU A 15 8.652 -2.543 8.538 1.00 2.16 O ATOM 0 H GLU A 15 5.446 -3.078 6.126 1.00 0.11 H new ATOM 0 HA GLU A 15 7.986 -1.927 6.273 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.960 -4.605 5.323 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.670 -4.222 5.283 1.00 0.13 H new ATOM 0 HG2 GLU A 15 6.902 -4.196 7.755 1.00 0.19 H new ATOM 0 HG3 GLU A 15 8.052 -5.448 7.331 1.00 0.19 H new ATOM 252 N ILE A 16 6.804 -2.262 3.235 1.00 0.10 N ATOM 253 CA ILE A 16 7.002 -1.876 1.844 1.00 0.09 C ATOM 254 C ILE A 16 6.885 -0.360 1.708 1.00 0.12 C ATOM 255 O ILE A 16 7.530 0.257 0.860 1.00 0.16 O ATOM 256 CB ILE A 16 5.973 -2.569 0.923 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.238 -4.076 0.873 1.00 0.12 C ATOM 258 CG2 ILE A 16 6.011 -1.975 -0.477 1.00 0.12 C ATOM 259 CD1 ILE A 16 5.124 -4.865 0.221 1.00 0.14 C ATOM 0 H ILE A 16 5.888 -2.664 3.434 1.00 0.10 H new ATOM 0 HA ILE A 16 7.999 -2.193 1.538 1.00 0.09 H new ATOM 0 HB ILE A 16 4.978 -2.401 1.334 1.00 0.10 H new ATOM 0 HG12 ILE A 16 7.166 -4.256 0.329 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.387 -4.444 1.888 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.278 -2.479 -1.106 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.776 -0.912 -0.428 1.00 0.12 H new ATOM 0 HG23 ILE A 16 7.006 -2.108 -0.902 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.380 -5.924 0.221 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.199 -4.716 0.777 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.989 -4.524 -0.806 1.00 0.14 H new ATOM 271 N LEU A 17 6.056 0.227 2.566 1.00 0.14 N ATOM 272 CA LEU A 17 5.846 1.670 2.588 1.00 0.19 C ATOM 273 C LEU A 17 7.109 2.379 3.082 1.00 0.18 C ATOM 274 O LEU A 17 7.503 3.420 2.558 1.00 0.26 O ATOM 275 CB LEU A 17 4.682 2.006 3.534 1.00 0.27 C ATOM 276 CG LEU A 17 3.288 2.129 2.902 1.00 0.35 C ATOM 277 CD1 LEU A 17 3.122 3.484 2.244 1.00 0.80 C ATOM 278 CD2 LEU A 17 3.022 1.009 1.906 1.00 0.77 C ATOM 0 H LEU A 17 5.513 -0.282 3.263 1.00 0.14 H new ATOM 0 HA LEU A 17 5.614 2.007 1.578 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.638 1.237 4.305 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.912 2.947 4.035 1.00 0.27 H new ATOM 0 HG LEU A 17 2.552 2.037 3.701 1.00 0.35 H new ATOM 0 HD11 LEU A 17 2.128 3.554 1.801 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.243 4.268 2.991 1.00 0.80 H new ATOM 0 HD13 LEU A 17 3.875 3.605 1.466 1.00 0.80 H new ATOM 0 HD21 LEU A 17 2.026 1.130 1.480 1.00 0.77 H new ATOM 0 HD22 LEU A 17 3.765 1.047 1.109 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.084 0.047 2.415 1.00 0.77 H new ATOM 290 N HIS A 18 7.741 1.784 4.092 1.00 0.16 N ATOM 291 CA HIS A 18 8.943 2.340 4.708 1.00 0.16 C ATOM 292 C HIS A 18 10.142 2.342 3.762 1.00 0.13 C ATOM 293 O HIS A 18 11.011 3.207 3.865 1.00 0.15 O ATOM 294 CB HIS A 18 9.282 1.550 5.974 1.00 0.17 C ATOM 295 CG HIS A 18 8.445 1.925 7.159 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.980 2.256 8.386 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.101 2.020 7.300 1.00 0.28 C ATOM 298 CE1 HIS A 18 8.003 2.535 9.230 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.854 2.400 8.595 1.00 0.33 N ATOM 0 H HIS A 18 7.434 0.904 4.506 1.00 0.16 H new ATOM 0 HA HIS A 18 8.730 3.380 4.956 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.156 0.486 5.773 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.333 1.705 6.218 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.975 2.281 8.607 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.362 1.832 6.536 1.00 0.28 H new ATOM 0 HE1 HIS A 18 8.124 2.824 10.263 1.00 0.60 H new ATOM 308 N LEU A 19 10.193 1.372 2.851 1.00 0.14 N ATOM 309 CA LEU A 19 11.301 1.277 1.902 1.00 0.14 C ATOM 310 C LEU A 19 11.585 2.640 1.263 1.00 0.16 C ATOM 311 O LEU A 19 10.770 3.155 0.500 1.00 0.18 O ATOM 312 CB LEU A 19 10.986 0.235 0.825 1.00 0.12 C ATOM 313 CG LEU A 19 10.807 -1.193 1.348 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.393 -2.130 0.224 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.087 -1.686 2.006 1.00 0.12 C ATOM 0 H LEU A 19 9.485 0.645 2.750 1.00 0.14 H new ATOM 0 HA LEU A 19 12.194 0.962 2.443 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.076 0.534 0.305 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.790 0.239 0.089 1.00 0.12 H new ATOM 0 HG LEU A 19 10.015 -1.184 2.097 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.271 -3.139 0.618 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.449 -1.791 -0.203 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.161 -2.132 -0.549 1.00 0.13 H new ATOM 0 HD21 LEU A 19 11.940 -2.702 2.371 1.00 0.12 H new ATOM 0 HD22 LEU A 19 12.898 -1.676 1.278 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.341 -1.033 2.841 1.00 0.12 H new ATOM 327 N PRO A 20 12.755 3.243 1.570 1.00 0.18 N ATOM 328 CA PRO A 20 13.129 4.558 1.042 1.00 0.21 C ATOM 329 C PRO A 20 13.704 4.501 -0.369 1.00 0.21 C ATOM 330 O PRO A 20 13.291 5.262 -1.245 1.00 0.23 O ATOM 331 CB PRO A 20 14.194 5.025 2.031 1.00 0.24 C ATOM 332 CG PRO A 20 14.861 3.770 2.480 1.00 0.22 C ATOM 333 CD PRO A 20 13.806 2.691 2.453 1.00 0.19 C ATOM 0 HA PRO A 20 12.267 5.219 0.955 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.903 5.705 1.559 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.749 5.560 2.870 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.693 3.516 1.823 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.272 3.886 3.483 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.203 1.754 2.064 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.421 2.484 3.451 1.00 0.19 H new ATOM 341 N ASN A 21 14.658 3.601 -0.586 1.00 0.20 N ATOM 342 CA ASN A 21 15.292 3.463 -1.892 1.00 0.21 C ATOM 343 C ASN A 21 14.279 3.027 -2.944 1.00 0.20 C ATOM 344 O ASN A 21 14.419 3.350 -4.124 1.00 0.23 O ATOM 345 CB ASN A 21 16.441 2.458 -1.823 1.00 0.21 C ATOM 346 CG ASN A 21 17.501 2.855 -0.814 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.731 4.041 -0.571 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.156 1.864 -0.221 1.00 0.26 N ATOM 0 H ASN A 21 15.008 2.958 0.124 1.00 0.20 H new ATOM 0 HA ASN A 21 15.690 4.436 -2.179 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.045 1.476 -1.562 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.898 2.366 -2.808 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.882 2.071 0.465 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.934 0.896 -0.452 1.00 0.26 H new ATOM 355 N LEU A 22 13.259 2.297 -2.508 1.00 0.18 N ATOM 356 CA LEU A 22 12.221 1.823 -3.413 1.00 0.17 C ATOM 357 C LEU A 22 11.346 2.984 -3.862 1.00 0.20 C ATOM 358 O LEU A 22 10.896 3.786 -3.045 1.00 0.26 O ATOM 359 CB LEU A 22 11.357 0.761 -2.731 1.00 0.17 C ATOM 360 CG LEU A 22 10.605 -0.172 -3.682 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.518 -1.280 -4.177 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.376 -0.753 -2.998 1.00 0.26 C ATOM 0 H LEU A 22 13.129 2.021 -1.535 1.00 0.18 H new ATOM 0 HA LEU A 22 12.703 1.378 -4.284 1.00 0.17 H new ATOM 0 HB2 LEU A 22 11.993 0.158 -2.083 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.632 1.262 -2.089 1.00 0.17 H new ATOM 0 HG LEU A 22 10.275 0.408 -4.544 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.965 -1.933 -4.852 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.365 -0.844 -4.707 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.881 -1.859 -3.328 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.853 -1.414 -3.689 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.682 -1.318 -2.117 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.711 0.056 -2.697 1.00 0.26 H new ATOM 374 N ASN A 23 11.106 3.072 -5.164 1.00 0.22 N ATOM 375 CA ASN A 23 10.283 4.142 -5.709 1.00 0.27 C ATOM 376 C ASN A 23 8.812 3.750 -5.689 1.00 0.24 C ATOM 377 O ASN A 23 8.473 2.589 -5.458 1.00 0.29 O ATOM 378 CB ASN A 23 10.719 4.487 -7.134 1.00 0.33 C ATOM 379 CG ASN A 23 10.847 3.261 -8.014 1.00 0.75 C ATOM 380 OD1 ASN A 23 10.160 2.264 -7.810 1.00 1.59 O ATOM 381 ND2 ASN A 23 11.732 3.331 -9.002 1.00 1.33 N ATOM 0 H ASN A 23 11.468 2.419 -5.859 1.00 0.22 H new ATOM 0 HA ASN A 23 10.416 5.024 -5.083 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.996 5.173 -7.575 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.676 5.009 -7.102 1.00 0.33 H new ATOM 0 HD21 ASN A 23 11.862 2.536 -9.628 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.282 4.180 -9.135 1.00 1.33 H new ATOM 388 N GLU A 24 7.942 4.722 -5.928 1.00 0.29 N ATOM 389 CA GLU A 24 6.505 4.472 -5.935 1.00 0.29 C ATOM 390 C GLU A 24 6.126 3.503 -7.052 1.00 0.24 C ATOM 391 O GLU A 24 5.193 2.713 -6.908 1.00 0.22 O ATOM 392 CB GLU A 24 5.739 5.785 -6.103 1.00 0.36 C ATOM 393 CG GLU A 24 5.972 6.774 -4.973 1.00 1.23 C ATOM 394 CD GLU A 24 5.258 8.092 -5.196 1.00 1.42 C ATOM 395 OE1 GLU A 24 5.839 8.977 -5.860 1.00 1.25 O ATOM 396 OE2 GLU A 24 4.118 8.240 -4.709 1.00 2.17 O ATOM 0 H GLU A 24 8.204 5.689 -6.119 1.00 0.29 H new ATOM 0 HA GLU A 24 6.236 4.021 -4.980 1.00 0.29 H new ATOM 0 HB2 GLU A 24 6.031 6.248 -7.046 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.673 5.568 -6.171 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.632 6.335 -4.035 1.00 1.23 H new ATOM 0 HG3 GLU A 24 7.042 6.957 -4.870 1.00 1.23 H new ATOM 403 N GLU A 25 6.854 3.567 -8.164 1.00 0.27 N ATOM 404 CA GLU A 25 6.587 2.694 -9.303 1.00 0.28 C ATOM 405 C GLU A 25 6.634 1.225 -8.890 1.00 0.24 C ATOM 406 O GLU A 25 5.689 0.472 -9.133 1.00 0.30 O ATOM 407 CB GLU A 25 7.598 2.953 -10.423 1.00 0.36 C ATOM 408 CG GLU A 25 7.558 4.374 -10.964 1.00 0.91 C ATOM 409 CD GLU A 25 8.523 4.587 -12.114 1.00 1.60 C ATOM 410 OE1 GLU A 25 8.134 4.324 -13.272 1.00 2.00 O ATOM 411 OE2 GLU A 25 9.668 5.015 -11.857 1.00 2.20 O ATOM 0 H GLU A 25 7.632 4.213 -8.300 1.00 0.27 H new ATOM 0 HA GLU A 25 5.585 2.918 -9.669 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.601 2.743 -10.051 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.409 2.257 -11.240 1.00 0.36 H new ATOM 0 HG2 GLU A 25 6.546 4.604 -11.297 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.796 5.072 -10.161 1.00 0.91 H new ATOM 418 N GLN A 26 7.737 0.826 -8.265 1.00 0.18 N ATOM 419 CA GLN A 26 7.907 -0.550 -7.814 1.00 0.15 C ATOM 420 C GLN A 26 6.969 -0.852 -6.656 1.00 0.13 C ATOM 421 O GLN A 26 6.315 -1.895 -6.627 1.00 0.16 O ATOM 422 CB GLN A 26 9.359 -0.791 -7.396 1.00 0.15 C ATOM 423 CG GLN A 26 10.341 -0.606 -8.538 1.00 0.19 C ATOM 424 CD GLN A 26 11.780 -0.546 -8.084 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.686 -0.965 -8.804 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.001 -0.026 -6.889 1.00 1.59 N ATOM 0 H GLN A 26 8.527 1.437 -8.059 1.00 0.18 H new ATOM 0 HA GLN A 26 7.662 -1.219 -8.639 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.617 -0.107 -6.587 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.455 -1.802 -7.001 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.224 -1.427 -9.245 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.097 0.312 -9.073 1.00 0.19 H new ATOM 0 HE21 GLN A 26 11.219 0.309 -6.326 1.00 1.59 H new ATOM 0 HE22 GLN A 26 12.953 0.040 -6.530 1.00 1.59 H new ATOM 435 N ARG A 27 6.909 0.072 -5.703 1.00 0.13 N ATOM 436 CA ARG A 27 6.045 -0.081 -4.537 1.00 0.13 C ATOM 437 C ARG A 27 4.608 -0.369 -4.962 1.00 0.14 C ATOM 438 O ARG A 27 3.883 -1.090 -4.278 1.00 0.23 O ATOM 439 CB ARG A 27 6.085 1.178 -3.668 1.00 0.14 C ATOM 440 CG ARG A 27 5.289 1.045 -2.379 1.00 0.18 C ATOM 441 CD ARG A 27 5.412 2.285 -1.509 1.00 0.41 C ATOM 442 NE ARG A 27 6.806 2.620 -1.233 1.00 1.59 N ATOM 443 CZ ARG A 27 7.359 3.793 -1.528 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.640 4.744 -2.111 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.635 4.017 -1.242 1.00 3.04 N ATOM 0 H ARG A 27 7.450 0.937 -5.715 1.00 0.13 H new ATOM 0 HA ARG A 27 6.415 -0.925 -3.955 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.122 1.410 -3.424 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.696 2.019 -4.242 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.240 0.870 -2.616 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.639 0.175 -1.824 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.928 3.126 -2.005 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.885 2.123 -0.569 1.00 0.41 H new ATOM 0 HE ARG A 27 7.390 1.913 -0.788 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.659 4.577 -2.335 1.00 1.37 H new ATOM 0 HH12 ARG A 27 7.068 5.642 -2.335 1.00 1.37 H new ATOM 0 HH21 ARG A 27 9.193 3.289 -0.795 1.00 3.04 H new ATOM 0 HH22 ARG A 27 9.058 4.917 -1.469 1.00 3.04 H new ATOM 459 N ASN A 28 4.204 0.197 -6.096 1.00 0.13 N ATOM 460 CA ASN A 28 2.855 -0.007 -6.612 1.00 0.15 C ATOM 461 C ASN A 28 2.660 -1.450 -7.059 1.00 0.15 C ATOM 462 O ASN A 28 1.600 -2.036 -6.847 1.00 0.21 O ATOM 463 CB ASN A 28 2.575 0.943 -7.778 1.00 0.19 C ATOM 464 CG ASN A 28 2.166 2.328 -7.316 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.393 3.014 -7.985 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.685 2.749 -6.169 1.00 0.19 N ATOM 0 H ASN A 28 4.791 0.799 -6.674 1.00 0.13 H new ATOM 0 HA ASN A 28 2.151 0.207 -5.807 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.466 1.020 -8.401 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.785 0.524 -8.402 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.447 3.674 -5.810 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.322 2.148 -5.646 1.00 0.19 H new ATOM 473 N ALA A 29 3.690 -2.017 -7.677 1.00 0.12 N ATOM 474 CA ALA A 29 3.633 -3.394 -8.150 1.00 0.12 C ATOM 475 C ALA A 29 3.468 -4.363 -6.985 1.00 0.11 C ATOM 476 O ALA A 29 2.692 -5.316 -7.061 1.00 0.15 O ATOM 477 CB ALA A 29 4.883 -3.730 -8.949 1.00 0.15 C ATOM 0 H ALA A 29 4.574 -1.544 -7.862 1.00 0.12 H new ATOM 0 HA ALA A 29 2.764 -3.496 -8.801 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.827 -4.762 -9.296 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.957 -3.062 -9.807 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.763 -3.607 -8.317 1.00 0.15 H new ATOM 483 N PHE A 30 4.202 -4.111 -5.904 1.00 0.10 N ATOM 484 CA PHE A 30 4.136 -4.960 -4.721 1.00 0.10 C ATOM 485 C PHE A 30 2.784 -4.823 -4.030 1.00 0.12 C ATOM 486 O PHE A 30 2.173 -5.820 -3.644 1.00 0.18 O ATOM 487 CB PHE A 30 5.269 -4.610 -3.752 1.00 0.12 C ATOM 488 CG PHE A 30 6.630 -4.967 -4.278 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.054 -6.285 -4.313 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.488 -3.977 -4.730 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.309 -6.611 -4.790 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.745 -4.298 -5.210 1.00 0.21 C ATOM 493 CZ PHE A 30 9.141 -5.636 -5.264 1.00 0.20 C ATOM 0 H PHE A 30 4.848 -3.326 -5.824 1.00 0.10 H new ATOM 0 HA PHE A 30 4.253 -5.997 -5.037 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.238 -3.542 -3.538 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.104 -5.129 -2.808 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.396 -7.067 -3.963 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.172 -2.944 -4.707 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.634 -7.641 -4.788 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.416 -3.519 -5.541 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.102 -5.900 -5.679 1.00 0.20 H new ATOM 503 N ILE A 31 2.321 -3.586 -3.874 1.00 0.10 N ATOM 504 CA ILE A 31 1.030 -3.326 -3.243 1.00 0.11 C ATOM 505 C ILE A 31 -0.090 -3.958 -4.065 1.00 0.11 C ATOM 506 O ILE A 31 -1.119 -4.372 -3.529 1.00 0.16 O ATOM 507 CB ILE A 31 0.783 -1.808 -3.084 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.760 -1.222 -2.060 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.656 -1.523 -2.671 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.663 0.282 -1.913 1.00 0.13 C ATOM 0 H ILE A 31 2.820 -2.749 -4.175 1.00 0.10 H new ATOM 0 HA ILE A 31 1.041 -3.772 -2.249 1.00 0.11 H new ATOM 0 HB ILE A 31 0.952 -1.332 -4.050 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.576 -1.685 -1.090 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.777 -1.484 -2.351 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.799 -0.447 -2.567 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.336 -1.907 -3.431 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.864 -2.010 -1.718 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.385 0.622 -1.171 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.877 0.756 -2.871 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.657 0.552 -1.591 1.00 0.13 H new ATOM 522 N GLN A 32 0.128 -4.026 -5.374 1.00 0.08 N ATOM 523 CA GLN A 32 -0.832 -4.615 -6.295 1.00 0.09 C ATOM 524 C GLN A 32 -0.949 -6.124 -6.074 1.00 0.11 C ATOM 525 O GLN A 32 -2.045 -6.650 -5.879 1.00 0.19 O ATOM 526 CB GLN A 32 -0.389 -4.339 -7.732 1.00 0.11 C ATOM 527 CG GLN A 32 -1.534 -4.121 -8.699 1.00 0.15 C ATOM 528 CD GLN A 32 -1.054 -3.876 -10.117 1.00 0.29 C ATOM 529 OE1 GLN A 32 -0.034 -4.420 -10.542 1.00 0.82 O ATOM 530 NE2 GLN A 32 -1.781 -3.045 -10.855 1.00 1.04 N ATOM 0 H GLN A 32 0.974 -3.675 -5.824 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.809 -4.166 -6.113 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.253 -3.458 -7.740 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.214 -5.176 -8.082 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.189 -4.992 -8.685 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.129 -3.270 -8.368 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -2.619 -2.616 -10.464 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -1.501 -2.836 -11.813 1.00 1.04 H new ATOM 539 N SER A 33 0.190 -6.810 -6.104 1.00 0.09 N ATOM 540 CA SER A 33 0.222 -8.260 -5.925 1.00 0.11 C ATOM 541 C SER A 33 -0.146 -8.664 -4.499 1.00 0.10 C ATOM 542 O SER A 33 -0.694 -9.743 -4.276 1.00 0.15 O ATOM 543 CB SER A 33 1.606 -8.806 -6.275 1.00 0.13 C ATOM 544 OG SER A 33 1.929 -8.550 -7.631 1.00 1.19 O ATOM 0 H SER A 33 1.105 -6.385 -6.251 1.00 0.09 H new ATOM 0 HA SER A 33 -0.521 -8.688 -6.598 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.355 -8.349 -5.627 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.635 -9.879 -6.088 1.00 0.13 H new ATOM 0 HG SER A 33 2.820 -8.908 -7.828 1.00 1.19 H new ATOM 550 N LEU A 34 0.161 -7.801 -3.537 1.00 0.10 N ATOM 551 CA LEU A 34 -0.142 -8.081 -2.138 1.00 0.11 C ATOM 552 C LEU A 34 -1.648 -8.196 -1.928 1.00 0.13 C ATOM 553 O LEU A 34 -2.122 -9.066 -1.198 1.00 0.18 O ATOM 554 CB LEU A 34 0.422 -6.977 -1.240 1.00 0.10 C ATOM 555 CG LEU A 34 1.005 -7.445 0.098 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.525 -6.257 0.889 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.035 -8.210 0.907 1.00 0.17 C ATOM 0 H LEU A 34 0.618 -6.904 -3.699 1.00 0.10 H new ATOM 0 HA LEU A 34 0.324 -9.030 -1.872 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.200 -6.448 -1.790 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.371 -6.257 -1.038 1.00 0.10 H new ATOM 0 HG LEU A 34 1.836 -8.120 -0.108 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.936 -6.603 1.837 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.304 -5.753 0.318 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.708 -5.562 1.080 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.403 -8.531 1.852 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.890 -7.563 1.105 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.364 -9.084 0.344 1.00 0.17 H new ATOM 569 N LYS A 35 -2.391 -7.312 -2.582 1.00 0.15 N ATOM 570 CA LYS A 35 -3.843 -7.298 -2.473 1.00 0.19 C ATOM 571 C LYS A 35 -4.467 -8.393 -3.336 1.00 0.22 C ATOM 572 O LYS A 35 -5.547 -8.899 -3.029 1.00 0.31 O ATOM 573 CB LYS A 35 -4.378 -5.930 -2.896 1.00 0.23 C ATOM 574 CG LYS A 35 -5.862 -5.744 -2.644 1.00 0.23 C ATOM 575 CD LYS A 35 -6.155 -5.565 -1.164 1.00 0.24 C ATOM 576 CE LYS A 35 -7.615 -5.235 -0.920 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.506 -6.395 -1.203 1.00 0.46 N ATOM 0 H LYS A 35 -2.009 -6.593 -3.196 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.113 -7.489 -1.434 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.829 -5.155 -2.361 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.179 -5.786 -3.958 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.220 -4.874 -3.195 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.408 -6.608 -3.023 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -5.893 -6.477 -0.628 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.529 -4.768 -0.762 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.747 -4.921 0.115 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.906 -4.393 -1.548 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.234 -6.114 -1.890 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -7.944 -7.177 -1.595 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -8.963 -6.705 -0.322 1.00 0.46 H new ATOM 591 N ASP A 36 -3.779 -8.751 -4.417 1.00 0.23 N ATOM 592 CA ASP A 36 -4.265 -9.783 -5.329 1.00 0.28 C ATOM 593 C ASP A 36 -3.886 -11.176 -4.835 1.00 0.25 C ATOM 594 O ASP A 36 -4.473 -12.174 -5.252 1.00 0.33 O ATOM 595 CB ASP A 36 -3.693 -9.562 -6.729 1.00 0.34 C ATOM 596 CG ASP A 36 -4.378 -10.420 -7.776 1.00 1.07 C ATOM 597 OD1 ASP A 36 -5.417 -9.984 -8.315 1.00 0.96 O ATOM 598 OD2 ASP A 36 -3.875 -11.529 -8.057 1.00 2.07 O ATOM 0 H ASP A 36 -2.883 -8.342 -4.683 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.352 -9.713 -5.366 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -3.797 -8.511 -6.999 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -2.626 -9.785 -6.722 1.00 0.34 H new ATOM 603 N ASP A 37 -2.900 -11.234 -3.948 1.00 0.20 N ATOM 604 CA ASP A 37 -2.433 -12.502 -3.399 1.00 0.22 C ATOM 605 C ASP A 37 -1.797 -12.294 -2.025 1.00 0.18 C ATOM 606 O ASP A 37 -0.578 -12.166 -1.911 1.00 0.16 O ATOM 607 CB ASP A 37 -1.423 -13.152 -4.347 1.00 0.27 C ATOM 608 CG ASP A 37 -1.170 -14.608 -4.011 1.00 0.76 C ATOM 609 OD1 ASP A 37 -0.809 -14.895 -2.850 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.332 -15.463 -4.906 1.00 1.29 O ATOM 0 H ASP A 37 -2.407 -10.415 -3.592 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.293 -13.163 -3.289 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -1.789 -13.076 -5.371 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.482 -12.603 -4.303 1.00 0.27 H new ATOM 615 N PRO A 38 -2.619 -12.256 -0.961 1.00 0.21 N ATOM 616 CA PRO A 38 -2.136 -12.058 0.412 1.00 0.21 C ATOM 617 C PRO A 38 -1.187 -13.162 0.876 1.00 0.21 C ATOM 618 O PRO A 38 -0.490 -13.006 1.879 1.00 0.23 O ATOM 619 CB PRO A 38 -3.419 -12.072 1.253 1.00 0.27 C ATOM 620 CG PRO A 38 -4.427 -12.765 0.403 1.00 0.30 C ATOM 621 CD PRO A 38 -4.084 -12.395 -1.009 1.00 0.26 C ATOM 0 HA PRO A 38 -1.558 -11.138 0.500 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.268 -12.599 2.195 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.740 -11.060 1.501 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.386 -13.845 0.547 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.439 -12.448 0.657 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.395 -13.164 -1.716 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.569 -11.468 -1.314 1.00 0.26 H new ATOM 629 N SER A 39 -1.160 -14.274 0.147 1.00 0.21 N ATOM 630 CA SER A 39 -0.292 -15.394 0.502 1.00 0.23 C ATOM 631 C SER A 39 1.168 -15.075 0.186 1.00 0.21 C ATOM 632 O SER A 39 2.080 -15.645 0.784 1.00 0.24 O ATOM 633 CB SER A 39 -0.721 -16.663 -0.239 1.00 0.26 C ATOM 634 OG SER A 39 0.099 -17.764 0.120 1.00 1.37 O ATOM 0 H SER A 39 -1.725 -14.424 -0.689 1.00 0.21 H new ATOM 0 HA SER A 39 -0.385 -15.562 1.575 1.00 0.23 H new ATOM 0 HB2 SER A 39 -1.762 -16.889 -0.007 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.663 -16.497 -1.315 1.00 0.26 H new ATOM 0 HG SER A 39 -0.195 -18.563 -0.365 1.00 1.37 H new ATOM 640 N GLN A 40 1.378 -14.163 -0.756 1.00 0.19 N ATOM 641 CA GLN A 40 2.724 -13.764 -1.156 1.00 0.18 C ATOM 642 C GLN A 40 3.241 -12.626 -0.278 1.00 0.16 C ATOM 643 O GLN A 40 4.337 -12.116 -0.493 1.00 0.16 O ATOM 644 CB GLN A 40 2.745 -13.341 -2.626 1.00 0.21 C ATOM 645 CG GLN A 40 2.298 -14.438 -3.580 1.00 0.27 C ATOM 646 CD GLN A 40 3.196 -15.659 -3.529 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.392 -15.555 -3.262 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.620 -16.829 -3.785 1.00 0.69 N ATOM 0 H GLN A 40 0.631 -13.684 -1.259 1.00 0.19 H new ATOM 0 HA GLN A 40 3.380 -14.625 -1.027 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.099 -12.473 -2.755 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.755 -13.029 -2.892 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.277 -14.732 -3.336 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.282 -14.046 -4.597 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.624 -16.871 -4.002 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.174 -17.685 -3.764 1.00 0.69 H new ATOM 657 N SER A 41 2.433 -12.228 0.701 1.00 0.17 N ATOM 658 CA SER A 41 2.790 -11.144 1.615 1.00 0.20 C ATOM 659 C SER A 41 4.234 -11.262 2.095 1.00 0.20 C ATOM 660 O SER A 41 4.893 -10.254 2.349 1.00 0.25 O ATOM 661 CB SER A 41 1.849 -11.138 2.820 1.00 0.23 C ATOM 662 OG SER A 41 1.778 -12.419 3.421 1.00 1.10 O ATOM 0 H SER A 41 1.519 -12.643 0.883 1.00 0.17 H new ATOM 0 HA SER A 41 2.691 -10.208 1.066 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.196 -10.409 3.552 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.853 -10.825 2.506 1.00 0.23 H new ATOM 0 HG SER A 41 1.023 -12.916 3.043 1.00 1.10 H new ATOM 668 N ALA A 42 4.718 -12.491 2.223 1.00 0.18 N ATOM 669 CA ALA A 42 6.083 -12.733 2.675 1.00 0.20 C ATOM 670 C ALA A 42 7.064 -12.724 1.508 1.00 0.17 C ATOM 671 O ALA A 42 8.216 -12.314 1.657 1.00 0.18 O ATOM 672 CB ALA A 42 6.159 -14.053 3.422 1.00 0.24 C ATOM 0 H ALA A 42 4.185 -13.337 2.020 1.00 0.18 H new ATOM 0 HA ALA A 42 6.364 -11.925 3.351 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.183 -14.224 3.755 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.497 -14.020 4.287 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.852 -14.863 2.761 1.00 0.24 H new ATOM 678 N ASN A 43 6.604 -13.178 0.347 1.00 0.16 N ATOM 679 CA ASN A 43 7.445 -13.217 -0.845 1.00 0.16 C ATOM 680 C ASN A 43 7.666 -11.815 -1.397 1.00 0.13 C ATOM 681 O ASN A 43 8.800 -11.351 -1.504 1.00 0.14 O ATOM 682 CB ASN A 43 6.806 -14.102 -1.917 1.00 0.18 C ATOM 683 CG ASN A 43 6.803 -15.568 -1.532 1.00 0.21 C ATOM 684 OD1 ASN A 43 7.717 -16.316 -1.885 1.00 0.59 O ATOM 685 ND2 ASN A 43 5.778 -15.988 -0.800 1.00 0.71 N ATOM 0 H ASN A 43 5.655 -13.524 0.206 1.00 0.16 H new ATOM 0 HA ASN A 43 8.411 -13.637 -0.565 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.782 -13.773 -2.092 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.345 -13.977 -2.856 1.00 0.18 H new ATOM 0 HD21 ASN A 43 5.726 -16.964 -0.508 1.00 0.71 H new ATOM 0 HD22 ASN A 43 5.043 -15.335 -0.530 1.00 0.71 H new ATOM 692 N LEU A 44 6.571 -11.151 -1.754 1.00 0.13 N ATOM 693 CA LEU A 44 6.630 -9.797 -2.293 1.00 0.12 C ATOM 694 C LEU A 44 7.442 -8.887 -1.381 1.00 0.11 C ATOM 695 O LEU A 44 8.184 -8.025 -1.850 1.00 0.12 O ATOM 696 CB LEU A 44 5.217 -9.244 -2.469 1.00 0.12 C ATOM 697 CG LEU A 44 4.306 -10.081 -3.369 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.852 -9.701 -3.156 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.694 -9.908 -4.829 1.00 0.23 C ATOM 0 H LEU A 44 5.628 -11.531 -1.679 1.00 0.13 H new ATOM 0 HA LEU A 44 7.122 -9.833 -3.265 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.752 -9.156 -1.487 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.285 -8.237 -2.881 1.00 0.12 H new ATOM 0 HG LEU A 44 4.430 -11.131 -3.102 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.219 -10.307 -3.804 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.579 -9.876 -2.115 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.713 -8.647 -3.395 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.035 -10.511 -5.454 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.600 -8.859 -5.109 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.725 -10.230 -4.972 1.00 0.23 H new ATOM 711 N LEU A 45 7.294 -9.082 -0.072 1.00 0.12 N ATOM 712 CA LEU A 45 8.031 -8.288 0.903 1.00 0.13 C ATOM 713 C LEU A 45 9.527 -8.488 0.706 1.00 0.13 C ATOM 714 O LEU A 45 10.287 -7.530 0.588 1.00 0.15 O ATOM 715 CB LEU A 45 7.645 -8.695 2.326 1.00 0.15 C ATOM 716 CG LEU A 45 7.389 -7.542 3.302 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.277 -8.071 4.723 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.490 -6.495 3.211 1.00 0.14 C ATOM 0 H LEU A 45 6.672 -9.781 0.335 1.00 0.12 H new ATOM 0 HA LEU A 45 7.780 -7.237 0.756 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.747 -9.311 2.277 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.439 -9.321 2.733 1.00 0.15 H new ATOM 0 HG LEU A 45 6.447 -7.066 3.028 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.095 -7.242 5.407 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.451 -8.779 4.784 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.205 -8.572 4.999 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.284 -5.688 3.914 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.449 -6.953 3.455 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.527 -6.093 2.198 1.00 0.14 H new ATOM 730 N ALA A 46 9.934 -9.753 0.672 1.00 0.14 N ATOM 731 CA ALA A 46 11.333 -10.107 0.480 1.00 0.15 C ATOM 732 C ALA A 46 11.855 -9.556 -0.840 1.00 0.15 C ATOM 733 O ALA A 46 13.007 -9.137 -0.940 1.00 0.20 O ATOM 734 CB ALA A 46 11.492 -11.620 0.515 1.00 0.16 C ATOM 0 H ALA A 46 9.310 -10.553 0.776 1.00 0.14 H new ATOM 0 HA ALA A 46 11.916 -9.665 1.288 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.541 -11.879 0.371 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.154 -11.999 1.479 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.895 -12.067 -0.280 1.00 0.16 H new ATOM 740 N GLU A 47 10.989 -9.554 -1.845 1.00 0.13 N ATOM 741 CA GLU A 47 11.344 -9.062 -3.169 1.00 0.15 C ATOM 742 C GLU A 47 11.483 -7.547 -3.167 1.00 0.13 C ATOM 743 O GLU A 47 12.271 -6.984 -3.927 1.00 0.17 O ATOM 744 CB GLU A 47 10.284 -9.484 -4.184 1.00 0.18 C ATOM 745 CG GLU A 47 10.265 -10.978 -4.457 1.00 0.28 C ATOM 746 CD GLU A 47 9.230 -11.366 -5.494 1.00 1.24 C ATOM 747 OE1 GLU A 47 8.052 -11.545 -5.121 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.599 -11.495 -6.681 1.00 1.09 O ATOM 0 H GLU A 47 10.029 -9.890 -1.767 1.00 0.13 H new ATOM 0 HA GLU A 47 12.305 -9.495 -3.448 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.303 -9.177 -3.822 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.458 -8.954 -5.120 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.251 -11.294 -4.797 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.062 -11.511 -3.528 1.00 0.28 H new ATOM 755 N ALA A 48 10.710 -6.893 -2.308 1.00 0.10 N ATOM 756 CA ALA A 48 10.749 -5.441 -2.204 1.00 0.10 C ATOM 757 C ALA A 48 11.975 -4.996 -1.423 1.00 0.11 C ATOM 758 O ALA A 48 12.617 -4.005 -1.764 1.00 0.12 O ATOM 759 CB ALA A 48 9.478 -4.922 -1.551 1.00 0.11 C ATOM 0 H ALA A 48 10.050 -7.345 -1.675 1.00 0.10 H new ATOM 0 HA ALA A 48 10.814 -5.023 -3.208 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.523 -3.835 -1.481 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.616 -5.212 -2.152 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.383 -5.347 -0.552 1.00 0.11 H new ATOM 765 N LYS A 49 12.287 -5.734 -0.366 1.00 0.12 N ATOM 766 CA LYS A 49 13.449 -5.445 0.458 1.00 0.14 C ATOM 767 C LYS A 49 14.719 -5.698 -0.342 1.00 0.14 C ATOM 768 O LYS A 49 15.706 -4.972 -0.219 1.00 0.17 O ATOM 769 CB LYS A 49 13.427 -6.324 1.707 1.00 0.14 C ATOM 770 CG LYS A 49 12.240 -6.053 2.616 1.00 0.14 C ATOM 771 CD LYS A 49 12.241 -6.970 3.828 1.00 0.16 C ATOM 772 CE LYS A 49 11.727 -8.355 3.478 1.00 0.16 C ATOM 773 NZ LYS A 49 11.580 -9.215 4.685 1.00 0.21 N ATOM 0 H LYS A 49 11.746 -6.542 -0.059 1.00 0.12 H new ATOM 0 HA LYS A 49 13.426 -4.399 0.764 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.412 -7.371 1.405 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.348 -6.168 2.268 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.263 -5.014 2.945 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.314 -6.190 2.057 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.252 -7.046 4.227 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.620 -6.538 4.613 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.764 -8.268 2.975 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.412 -8.830 2.776 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.227 -10.152 4.403 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.504 -9.319 5.152 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 10.907 -8.775 5.345 1.00 0.21 H new ATOM 787 N LYS A 50 14.675 -6.742 -1.162 1.00 0.13 N ATOM 788 CA LYS A 50 15.800 -7.109 -2.010 1.00 0.16 C ATOM 789 C LYS A 50 15.970 -6.093 -3.132 1.00 0.16 C ATOM 790 O LYS A 50 17.069 -5.899 -3.654 1.00 0.22 O ATOM 791 CB LYS A 50 15.570 -8.500 -2.600 1.00 0.17 C ATOM 792 CG LYS A 50 15.878 -9.630 -1.632 1.00 0.52 C ATOM 793 CD LYS A 50 15.611 -10.992 -2.255 1.00 0.51 C ATOM 794 CE LYS A 50 15.959 -12.119 -1.297 1.00 1.36 C ATOM 795 NZ LYS A 50 17.399 -12.102 -0.919 1.00 2.10 N ATOM 0 H LYS A 50 13.864 -7.353 -1.257 1.00 0.13 H new ATOM 0 HA LYS A 50 16.707 -7.119 -1.406 1.00 0.16 H new ATOM 0 HB2 LYS A 50 14.532 -8.582 -2.922 1.00 0.17 H new ATOM 0 HB3 LYS A 50 16.190 -8.615 -3.489 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.921 -9.570 -1.322 1.00 0.52 H new ATOM 0 HG3 LYS A 50 15.271 -9.515 -0.734 1.00 0.52 H new ATOM 0 HD2 LYS A 50 14.561 -11.065 -2.538 1.00 0.51 H new ATOM 0 HD3 LYS A 50 16.195 -11.096 -3.169 1.00 0.51 H new ATOM 0 HE2 LYS A 50 15.347 -12.034 -0.399 1.00 1.36 H new ATOM 0 HE3 LYS A 50 15.716 -13.076 -1.759 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.654 -13.010 -0.481 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 17.979 -11.953 -1.769 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.571 -11.331 -0.242 1.00 2.10 H new ATOM 809 N LEU A 51 14.866 -5.451 -3.494 1.00 0.14 N ATOM 810 CA LEU A 51 14.863 -4.452 -4.554 1.00 0.15 C ATOM 811 C LEU A 51 15.294 -3.094 -4.019 1.00 0.15 C ATOM 812 O LEU A 51 15.996 -2.339 -4.692 1.00 0.18 O ATOM 813 CB LEU A 51 13.462 -4.353 -5.160 1.00 0.15 C ATOM 814 CG LEU A 51 13.339 -3.465 -6.400 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.370 -3.851 -7.451 1.00 0.23 C ATOM 816 CD2 LEU A 51 11.932 -3.562 -6.970 1.00 0.18 C ATOM 0 H LEU A 51 13.954 -5.607 -3.064 1.00 0.14 H new ATOM 0 HA LEU A 51 15.573 -4.757 -5.323 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.126 -5.357 -5.419 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.781 -3.976 -4.397 1.00 0.15 H new ATOM 0 HG LEU A 51 13.531 -2.433 -6.107 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.261 -3.205 -8.322 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.372 -3.737 -7.037 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.216 -4.889 -7.748 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.852 -2.927 -7.852 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.722 -4.595 -7.246 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.212 -3.233 -6.220 1.00 0.18 H new ATOM 828 N ASN A 52 14.863 -2.795 -2.801 1.00 0.15 N ATOM 829 CA ASN A 52 15.199 -1.534 -2.157 1.00 0.18 C ATOM 830 C ASN A 52 16.699 -1.465 -1.914 1.00 0.17 C ATOM 831 O ASN A 52 17.302 -0.393 -1.957 1.00 0.17 O ATOM 832 CB ASN A 52 14.444 -1.400 -0.833 1.00 0.26 C ATOM 833 CG ASN A 52 14.778 -0.118 -0.097 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.160 0.921 -0.325 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.755 -0.185 0.798 1.00 0.21 N ATOM 0 H ASN A 52 14.278 -3.412 -2.238 1.00 0.15 H new ATOM 0 HA ASN A 52 14.906 -0.712 -2.810 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.372 -1.435 -1.026 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.681 -2.252 -0.196 1.00 0.26 H new ATOM 0 HD21 ASN A 52 16.019 0.646 1.328 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.242 -1.067 0.956 1.00 0.21 H new ATOM 842 N ASP A 53 17.295 -2.625 -1.661 1.00 0.18 N ATOM 843 CA ASP A 53 18.725 -2.709 -1.417 1.00 0.20 C ATOM 844 C ASP A 53 19.492 -2.698 -2.734 1.00 0.22 C ATOM 845 O ASP A 53 20.684 -2.388 -2.770 1.00 0.25 O ATOM 846 CB ASP A 53 19.056 -3.975 -0.626 1.00 0.23 C ATOM 847 CG ASP A 53 20.544 -4.126 -0.373 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.047 -3.507 0.588 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.205 -4.860 -1.138 1.00 0.34 O ATOM 0 H ASP A 53 16.807 -3.520 -1.620 1.00 0.18 H new ATOM 0 HA ASP A 53 19.026 -1.841 -0.831 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.528 -3.953 0.328 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.693 -4.846 -1.171 1.00 0.23 H new ATOM 854 N ALA A 54 18.796 -3.039 -3.815 1.00 0.22 N ATOM 855 CA ALA A 54 19.403 -3.067 -5.140 1.00 0.26 C ATOM 856 C ALA A 54 19.614 -1.655 -5.669 1.00 0.28 C ATOM 857 O ALA A 54 20.541 -1.397 -6.436 1.00 0.32 O ATOM 858 CB ALA A 54 18.533 -3.864 -6.100 1.00 0.27 C ATOM 0 H ALA A 54 17.810 -3.300 -3.798 1.00 0.22 H new ATOM 0 HA ALA A 54 20.376 -3.551 -5.060 1.00 0.26 H new ATOM 0 HB1 ALA A 54 18.997 -3.877 -7.086 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.429 -4.885 -5.734 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.549 -3.401 -6.169 1.00 0.27 H new ATOM 864 N GLN A 55 18.743 -0.744 -5.250 1.00 0.27 N ATOM 865 CA GLN A 55 18.820 0.645 -5.680 1.00 0.31 C ATOM 866 C GLN A 55 19.510 1.503 -4.623 1.00 0.33 C ATOM 867 O GLN A 55 19.692 2.707 -4.807 1.00 0.41 O ATOM 868 CB GLN A 55 17.416 1.180 -5.962 1.00 0.32 C ATOM 869 CG GLN A 55 16.598 0.267 -6.864 1.00 0.32 C ATOM 870 CD GLN A 55 15.216 0.818 -7.159 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.681 0.624 -8.249 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.625 1.495 -6.181 1.00 0.29 N ATOM 0 H GLN A 55 17.974 -0.944 -4.611 1.00 0.27 H new ATOM 0 HA GLN A 55 19.411 0.693 -6.595 1.00 0.31 H new ATOM 0 HB2 GLN A 55 16.889 1.315 -5.018 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.495 2.163 -6.426 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.132 0.117 -7.802 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.501 -0.711 -6.392 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.106 1.632 -5.292 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.690 1.878 -6.319 1.00 0.29 H new ATOM 881 N ALA A 56 19.891 0.872 -3.516 1.00 0.28 N ATOM 882 CA ALA A 56 20.565 1.566 -2.427 1.00 0.31 C ATOM 883 C ALA A 56 21.864 2.215 -2.904 1.00 0.39 C ATOM 884 O ALA A 56 22.533 1.694 -3.799 1.00 0.44 O ATOM 885 CB ALA A 56 20.846 0.605 -1.282 1.00 0.29 C ATOM 0 H ALA A 56 19.743 -0.124 -3.351 1.00 0.28 H new ATOM 0 HA ALA A 56 19.904 2.356 -2.072 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.350 1.138 -0.475 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.906 0.193 -0.914 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.483 -0.206 -1.635 1.00 0.29 H new ATOM 891 N PRO A 57 22.236 3.362 -2.312 1.00 0.45 N ATOM 892 CA PRO A 57 23.456 4.089 -2.679 1.00 0.54 C ATOM 893 C PRO A 57 24.702 3.209 -2.615 1.00 0.63 C ATOM 894 O PRO A 57 25.167 2.703 -3.637 1.00 0.83 O ATOM 895 CB PRO A 57 23.525 5.215 -1.647 1.00 0.68 C ATOM 896 CG PRO A 57 22.116 5.411 -1.209 1.00 0.61 C ATOM 897 CD PRO A 57 21.491 4.045 -1.239 1.00 0.47 C ATOM 0 HA PRO A 57 23.425 4.446 -3.708 1.00 0.54 H new ATOM 0 HB2 PRO A 57 24.167 4.945 -0.808 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.935 6.126 -2.082 1.00 0.68 H new ATOM 0 HG2 PRO A 57 22.073 5.840 -0.208 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.591 6.097 -1.873 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.598 3.531 -0.284 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.424 4.094 -1.457 1.00 0.47 H new ATOM 905 N LYS A 58 25.238 3.028 -1.412 1.00 0.75 N ATOM 906 CA LYS A 58 26.425 2.208 -1.221 1.00 0.91 C ATOM 907 C LYS A 58 26.112 0.728 -1.436 1.00 1.37 C ATOM 908 O LYS A 58 25.796 0.034 -0.447 1.00 1.85 O ATOM 909 CB LYS A 58 27.002 2.435 0.179 1.00 1.12 C ATOM 910 CG LYS A 58 25.967 2.358 1.292 1.00 2.01 C ATOM 911 CD LYS A 58 26.599 2.550 2.663 1.00 2.90 C ATOM 912 CE LYS A 58 27.188 3.944 2.820 1.00 3.59 C ATOM 913 NZ LYS A 58 26.175 5.006 2.577 1.00 4.27 N ATOM 914 OXT LYS A 58 26.183 0.275 -2.598 1.00 2.03 O ATOM 0 H LYS A 58 24.867 3.439 -0.555 1.00 0.75 H new ATOM 0 HA LYS A 58 27.167 2.504 -1.962 1.00 0.91 H new ATOM 0 HB2 LYS A 58 27.778 1.693 0.366 1.00 1.12 H new ATOM 0 HB3 LYS A 58 27.482 3.413 0.209 1.00 1.12 H new ATOM 0 HG2 LYS A 58 25.204 3.120 1.133 1.00 2.01 H new ATOM 0 HG3 LYS A 58 25.464 1.392 1.255 1.00 2.01 H new ATOM 0 HD2 LYS A 58 25.849 2.382 3.436 1.00 2.90 H new ATOM 0 HD3 LYS A 58 27.381 1.805 2.811 1.00 2.90 H new ATOM 0 HE2 LYS A 58 27.596 4.055 3.825 1.00 3.59 H new ATOM 0 HE3 LYS A 58 28.018 4.068 2.124 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 26.532 5.915 2.934 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 25.991 5.083 1.556 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 25.292 4.763 3.070 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 16.512 13.374 4.295 1.00 3.48 N ATOM 930 CA VAL B 101 15.755 12.159 4.689 1.00 2.61 C ATOM 931 C VAL B 101 14.643 11.865 3.686 1.00 2.18 C ATOM 932 O VAL B 101 13.878 12.755 3.313 1.00 2.41 O ATOM 933 CB VAL B 101 15.133 12.316 6.093 1.00 2.67 C ATOM 934 CG1 VAL B 101 14.749 10.960 6.664 1.00 2.50 C ATOM 935 CG2 VAL B 101 16.090 13.041 7.028 1.00 3.29 C ATOM 0 HA VAL B 101 16.463 11.331 4.704 1.00 2.61 H new ATOM 0 HB VAL B 101 14.228 12.916 6.000 1.00 2.67 H new ATOM 0 HG11 VAL B 101 14.312 11.092 7.654 1.00 2.50 H new ATOM 0 HG12 VAL B 101 14.022 10.482 6.008 1.00 2.50 H new ATOM 0 HG13 VAL B 101 15.637 10.333 6.740 1.00 2.50 H new ATOM 0 HG21 VAL B 101 15.632 13.141 8.012 1.00 3.29 H new ATOM 0 HG22 VAL B 101 17.015 12.471 7.115 1.00 3.29 H new ATOM 0 HG23 VAL B 101 16.310 14.031 6.628 1.00 3.29 H new ATOM 947 N ASP B 102 14.560 10.610 3.252 1.00 1.82 N ATOM 948 CA ASP B 102 13.549 10.193 2.284 1.00 1.99 C ATOM 949 C ASP B 102 12.159 10.156 2.914 1.00 1.57 C ATOM 950 O ASP B 102 11.164 9.912 2.232 1.00 1.98 O ATOM 951 CB ASP B 102 13.901 8.815 1.723 1.00 2.35 C ATOM 952 CG ASP B 102 12.946 8.369 0.632 1.00 3.09 C ATOM 953 OD1 ASP B 102 13.133 8.789 -0.529 1.00 3.65 O ATOM 954 OD2 ASP B 102 12.013 7.598 0.939 1.00 3.25 O ATOM 0 H ASP B 102 15.183 9.862 3.556 1.00 1.82 H new ATOM 0 HA ASP B 102 13.535 10.924 1.475 1.00 1.99 H new ATOM 0 HB2 ASP B 102 14.916 8.837 1.326 1.00 2.35 H new ATOM 0 HB3 ASP B 102 13.890 8.084 2.531 1.00 2.35 H new ATOM 959 N ASN B 103 12.098 10.398 4.218 1.00 1.11 N ATOM 960 CA ASN B 103 10.830 10.389 4.942 1.00 1.29 C ATOM 961 C ASN B 103 9.879 11.459 4.411 1.00 1.11 C ATOM 962 O ASN B 103 10.187 12.650 4.439 1.00 1.40 O ATOM 963 CB ASN B 103 11.062 10.603 6.437 1.00 1.77 C ATOM 964 CG ASN B 103 11.652 9.382 7.120 1.00 2.19 C ATOM 965 OD1 ASN B 103 11.364 9.112 8.286 1.00 2.84 O ATOM 966 ND2 ASN B 103 12.484 8.640 6.399 1.00 2.04 N ATOM 0 H ASN B 103 12.912 10.603 4.797 1.00 1.11 H new ATOM 0 HA ASN B 103 10.372 9.412 4.787 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.731 11.452 6.579 1.00 1.77 H new ATOM 0 HB3 ASN B 103 10.116 10.859 6.914 1.00 1.77 H new ATOM 0 HD21 ASN B 103 12.912 7.810 6.808 1.00 2.04 H new ATOM 0 HD22 ASN B 103 12.695 8.900 5.436 1.00 2.04 H new ATOM 973 N LYS B 104 8.723 11.017 3.930 1.00 0.91 N ATOM 974 CA LYS B 104 7.711 11.923 3.393 1.00 0.83 C ATOM 975 C LYS B 104 6.315 11.522 3.866 1.00 0.58 C ATOM 976 O LYS B 104 5.365 12.297 3.763 1.00 0.72 O ATOM 977 CB LYS B 104 7.761 11.920 1.867 1.00 0.98 C ATOM 978 CG LYS B 104 9.121 12.295 1.306 1.00 1.29 C ATOM 979 CD LYS B 104 9.054 12.594 -0.184 1.00 1.55 C ATOM 980 CE LYS B 104 8.860 11.328 -1.003 1.00 1.61 C ATOM 981 NZ LYS B 104 8.786 11.616 -2.461 1.00 2.12 N ATOM 0 H LYS B 104 8.461 10.032 3.900 1.00 0.91 H new ATOM 0 HA LYS B 104 7.925 12.927 3.759 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.488 10.929 1.504 1.00 0.98 H new ATOM 0 HB3 LYS B 104 7.014 12.617 1.485 1.00 0.98 H new ATOM 0 HG2 LYS B 104 9.504 13.167 1.835 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.824 11.481 1.482 1.00 1.29 H new ATOM 0 HD2 LYS B 104 8.233 13.284 -0.380 1.00 1.55 H new ATOM 0 HD3 LYS B 104 9.971 13.093 -0.497 1.00 1.55 H new ATOM 0 HE2 LYS B 104 9.684 10.641 -0.810 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.946 10.827 -0.685 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 8.654 10.727 -2.984 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 7.984 12.251 -2.649 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 9.668 12.071 -2.770 1.00 2.12 H new ATOM 995 N PHE B 105 6.205 10.302 4.380 1.00 0.46 N ATOM 996 CA PHE B 105 4.940 9.776 4.869 1.00 0.37 C ATOM 997 C PHE B 105 5.201 8.888 6.076 1.00 0.57 C ATOM 998 O PHE B 105 4.963 7.680 6.047 1.00 1.14 O ATOM 999 CB PHE B 105 4.225 8.992 3.762 1.00 0.49 C ATOM 1000 CG PHE B 105 5.118 8.048 3.008 1.00 0.71 C ATOM 1001 CD1 PHE B 105 6.102 8.532 2.161 1.00 0.86 C ATOM 1002 CD2 PHE B 105 4.972 6.679 3.146 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.926 7.668 1.469 1.00 1.10 C ATOM 1004 CE2 PHE B 105 5.793 5.809 2.456 1.00 1.19 C ATOM 1005 CZ PHE B 105 6.772 6.304 1.617 1.00 1.19 C ATOM 0 H PHE B 105 6.988 9.654 4.468 1.00 0.46 H new ATOM 0 HA PHE B 105 4.293 10.601 5.167 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.405 8.426 4.203 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.783 9.698 3.059 1.00 0.49 H new ATOM 0 HD1 PHE B 105 6.226 9.598 2.041 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.208 6.287 3.800 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.690 8.058 0.813 1.00 1.10 H new ATOM 0 HE2 PHE B 105 5.670 4.742 2.572 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.416 5.625 1.078 1.00 1.19 H new ATOM 1015 N ASN B 106 5.695 9.510 7.139 1.00 0.51 N ATOM 1016 CA ASN B 106 6.038 8.799 8.363 1.00 0.67 C ATOM 1017 C ASN B 106 4.873 7.968 8.900 1.00 0.67 C ATOM 1018 O ASN B 106 4.852 6.748 8.750 1.00 0.82 O ATOM 1019 CB ASN B 106 6.507 9.780 9.442 1.00 0.81 C ATOM 1020 CG ASN B 106 6.793 11.163 8.891 1.00 0.84 C ATOM 1021 OD1 ASN B 106 7.915 11.463 8.484 1.00 1.17 O ATOM 1022 ND2 ASN B 106 5.771 12.012 8.874 1.00 0.78 N ATOM 0 H ASN B 106 5.868 10.514 7.177 1.00 0.51 H new ATOM 0 HA ASN B 106 6.848 8.114 8.111 1.00 0.67 H new ATOM 0 HB2 ASN B 106 5.744 9.853 10.217 1.00 0.81 H new ATOM 0 HB3 ASN B 106 7.407 9.389 9.916 1.00 0.81 H new ATOM 0 HD21 ASN B 106 5.899 12.957 8.513 1.00 0.78 H new ATOM 0 HD22 ASN B 106 4.858 11.718 9.222 1.00 0.78 H new ATOM 1029 N LYS B 107 3.910 8.635 9.531 1.00 0.62 N ATOM 1030 CA LYS B 107 2.760 7.949 10.118 1.00 0.63 C ATOM 1031 C LYS B 107 1.438 8.492 9.587 1.00 0.54 C ATOM 1032 O LYS B 107 0.695 7.785 8.910 1.00 0.45 O ATOM 1033 CB LYS B 107 2.794 8.103 11.638 1.00 0.79 C ATOM 1034 CG LYS B 107 1.549 7.578 12.339 1.00 0.80 C ATOM 1035 CD LYS B 107 1.513 8.006 13.798 1.00 1.00 C ATOM 1036 CE LYS B 107 1.243 9.498 13.938 1.00 1.07 C ATOM 1037 NZ LYS B 107 1.323 9.945 15.356 1.00 1.78 N ATOM 0 H LYS B 107 3.902 9.648 9.649 1.00 0.62 H new ATOM 0 HA LYS B 107 2.826 6.897 9.840 1.00 0.63 H new ATOM 0 HB2 LYS B 107 3.667 7.578 12.027 1.00 0.79 H new ATOM 0 HB3 LYS B 107 2.920 9.157 11.884 1.00 0.79 H new ATOM 0 HG2 LYS B 107 0.659 7.946 11.828 1.00 0.80 H new ATOM 0 HG3 LYS B 107 1.526 6.490 12.276 1.00 0.80 H new ATOM 0 HD2 LYS B 107 0.740 7.445 14.323 1.00 1.00 H new ATOM 0 HD3 LYS B 107 2.463 7.761 14.273 1.00 1.00 H new ATOM 0 HE2 LYS B 107 1.964 10.055 13.340 1.00 1.07 H new ATOM 0 HE3 LYS B 107 0.254 9.727 13.540 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 1.133 10.966 15.409 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 0.618 9.432 15.922 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 2.274 9.750 15.728 1.00 1.78 H new ATOM 1051 N GLU B 108 1.156 9.748 9.920 1.00 0.61 N ATOM 1052 CA GLU B 108 -0.080 10.416 9.517 1.00 0.62 C ATOM 1053 C GLU B 108 -0.526 10.060 8.098 1.00 0.49 C ATOM 1054 O GLU B 108 -1.721 10.064 7.800 1.00 0.53 O ATOM 1055 CB GLU B 108 0.079 11.913 9.657 1.00 0.74 C ATOM 1056 CG GLU B 108 -0.247 12.390 11.057 1.00 0.87 C ATOM 1057 CD GLU B 108 -1.515 11.772 11.618 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -2.609 12.302 11.336 1.00 1.16 O ATOM 1059 OE2 GLU B 108 -1.411 10.757 12.340 1.00 1.37 O ATOM 0 H GLU B 108 1.778 10.333 10.478 1.00 0.61 H new ATOM 0 HA GLU B 108 -0.865 10.058 10.183 1.00 0.62 H new ATOM 0 HB2 GLU B 108 1.102 12.194 9.407 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -0.573 12.415 8.942 1.00 0.74 H new ATOM 0 HG2 GLU B 108 0.587 12.155 11.718 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -0.352 13.475 11.049 1.00 0.87 H new ATOM 1066 N THR B 109 0.429 9.756 7.228 1.00 0.39 N ATOM 1067 CA THR B 109 0.115 9.403 5.848 1.00 0.28 C ATOM 1068 C THR B 109 -0.091 7.898 5.691 1.00 0.25 C ATOM 1069 O THR B 109 -0.978 7.458 4.960 1.00 0.27 O ATOM 1070 CB THR B 109 1.225 9.865 4.889 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.396 11.284 4.986 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.896 9.488 3.453 1.00 0.27 C ATOM 0 H THR B 109 1.424 9.747 7.452 1.00 0.39 H new ATOM 0 HA THR B 109 -0.813 9.916 5.594 1.00 0.28 H new ATOM 0 HB THR B 109 2.150 9.365 5.175 1.00 0.25 H new ATOM 0 HG1 THR B 109 2.204 11.550 4.500 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.697 9.826 2.795 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.795 8.405 3.375 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.040 9.962 3.158 1.00 0.27 H new ATOM 1080 N GLN B 110 0.732 7.115 6.383 1.00 0.30 N ATOM 1081 CA GLN B 110 0.639 5.662 6.315 1.00 0.32 C ATOM 1082 C GLN B 110 -0.707 5.165 6.831 1.00 0.30 C ATOM 1083 O GLN B 110 -1.171 4.095 6.437 1.00 0.30 O ATOM 1084 CB GLN B 110 1.775 5.020 7.110 1.00 0.42 C ATOM 1085 CG GLN B 110 3.108 5.042 6.378 1.00 0.48 C ATOM 1086 CD GLN B 110 4.241 4.421 7.178 1.00 0.85 C ATOM 1087 OE1 GLN B 110 5.394 4.831 7.053 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.924 3.423 7.995 1.00 1.38 N ATOM 0 H GLN B 110 1.469 7.463 6.996 1.00 0.30 H new ATOM 0 HA GLN B 110 0.726 5.372 5.268 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.882 5.540 8.062 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.511 3.988 7.339 1.00 0.42 H new ATOM 0 HG2 GLN B 110 3.005 4.509 5.433 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.365 6.073 6.136 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.955 3.113 8.070 1.00 1.38 H new ATOM 0 HE22 GLN B 110 4.649 2.967 8.548 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.333 5.940 7.712 1.00 0.30 N ATOM 1098 CA GLU B 111 -2.628 5.566 8.265 1.00 0.30 C ATOM 1099 C GLU B 111 -3.674 5.548 7.163 1.00 0.28 C ATOM 1100 O GLU B 111 -4.512 4.648 7.096 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.037 6.545 9.364 1.00 0.34 C ATOM 1102 CG GLU B 111 -1.929 6.817 10.366 1.00 0.38 C ATOM 1103 CD GLU B 111 -1.636 5.623 11.255 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -0.802 4.781 10.862 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -2.239 5.533 12.345 1.00 1.04 O ATOM 0 H GLU B 111 -0.965 6.827 8.056 1.00 0.30 H new ATOM 0 HA GLU B 111 -2.552 4.569 8.699 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.344 7.486 8.907 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -3.905 6.148 9.891 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.022 7.097 9.831 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -2.208 7.668 10.988 1.00 0.38 H new ATOM 1112 N ALA B 112 -3.612 6.552 6.298 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.537 6.657 5.180 1.00 0.17 C ATOM 1114 C ALA B 112 -4.210 5.606 4.125 1.00 0.13 C ATOM 1115 O ALA B 112 -5.085 5.160 3.383 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.483 8.053 4.583 1.00 0.17 C ATOM 0 H ALA B 112 -2.928 7.307 6.351 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.549 6.477 5.542 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.180 8.119 3.747 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -4.758 8.785 5.343 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.473 8.259 4.230 1.00 0.17 H new ATOM 1122 N SER B 113 -2.937 5.219 4.069 1.00 0.13 N ATOM 1123 CA SER B 113 -2.480 4.211 3.118 1.00 0.11 C ATOM 1124 C SER B 113 -3.109 2.862 3.440 1.00 0.10 C ATOM 1125 O SER B 113 -3.632 2.179 2.560 1.00 0.12 O ATOM 1126 CB SER B 113 -0.954 4.098 3.157 1.00 0.15 C ATOM 1127 OG SER B 113 -0.341 5.333 2.826 1.00 0.92 O ATOM 0 H SER B 113 -2.203 5.590 4.673 1.00 0.13 H new ATOM 0 HA SER B 113 -2.785 4.514 2.116 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.635 3.785 4.151 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.626 3.327 2.460 1.00 0.15 H new ATOM 0 HG SER B 113 -0.567 6.003 3.505 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.059 2.490 4.713 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.623 1.226 5.164 1.00 0.10 C ATOM 1135 C TRP B 114 -5.123 1.171 4.893 1.00 0.12 C ATOM 1136 O TRP B 114 -5.628 0.185 4.358 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.350 1.030 6.654 1.00 0.13 C ATOM 1138 CG TRP B 114 -3.861 -0.273 7.186 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.776 -0.450 8.183 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.487 -1.582 6.746 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -4.992 -1.791 8.393 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.211 -2.506 7.523 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.607 -2.063 5.773 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.086 -3.881 7.352 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.484 -3.429 5.605 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.219 -4.324 6.393 1.00 0.23 C ATOM 0 H TRP B 114 -2.632 3.048 5.452 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.146 0.421 4.606 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.276 1.090 6.830 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -3.810 1.847 7.211 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.260 0.347 8.728 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.629 -2.189 9.083 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.034 -1.380 5.164 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.654 -4.574 7.956 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -1.810 -3.813 4.854 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.098 -5.386 6.239 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.829 2.237 5.262 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.275 2.310 5.059 1.00 0.18 C ATOM 1159 C GLU B 115 -7.643 2.019 3.604 1.00 0.19 C ATOM 1160 O GLU B 115 -8.678 1.414 3.325 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.799 3.690 5.460 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.731 3.957 6.955 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.572 2.986 7.759 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -9.792 3.224 7.890 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -8.013 1.985 8.257 1.00 2.03 O ATOM 0 H GLU B 115 -5.424 3.063 5.703 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.740 1.552 5.690 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.224 4.454 4.937 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.833 3.787 5.129 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.694 3.893 7.285 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.067 4.975 7.154 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.791 2.456 2.684 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.022 2.242 1.260 1.00 0.12 C ATOM 1174 C ILE B 116 -6.828 0.775 0.883 1.00 0.10 C ATOM 1175 O ILE B 116 -7.522 0.249 0.012 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.081 3.127 0.414 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.488 4.595 0.550 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.097 2.700 -1.046 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.410 5.570 0.130 1.00 0.11 C ATOM 0 H ILE B 116 -5.932 2.962 2.899 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.055 2.520 1.050 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.063 3.005 0.785 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.379 4.772 -0.052 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.759 4.792 1.587 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.426 3.339 -1.619 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.767 1.664 -1.126 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.109 2.790 -1.440 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.773 6.590 0.255 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.525 5.422 0.748 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.154 5.401 -0.916 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.887 0.121 1.552 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.591 -1.283 1.293 1.00 0.09 C ATOM 1193 C PHE B 117 -6.614 -2.196 1.968 1.00 0.11 C ATOM 1194 O PHE B 117 -6.860 -3.309 1.508 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.184 -1.616 1.796 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.626 -2.903 1.253 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.974 -4.121 1.814 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.743 -2.891 0.183 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.455 -5.303 1.318 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.220 -4.069 -0.315 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.577 -5.277 0.253 1.00 0.20 C ATOM 0 H PHE B 117 -5.313 0.543 2.282 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.644 -1.451 0.217 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.512 -0.800 1.530 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.203 -1.671 2.884 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.659 -4.148 2.649 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.461 -1.950 -0.266 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.736 -6.246 1.764 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.533 -4.046 -1.148 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.170 -6.199 -0.135 1.00 0.20 H new ATOM 1211 N THR B 118 -7.216 -1.712 3.053 1.00 0.12 N ATOM 1212 CA THR B 118 -8.198 -2.496 3.798 1.00 0.16 C ATOM 1213 C THR B 118 -9.522 -2.615 3.048 1.00 0.18 C ATOM 1214 O THR B 118 -10.419 -3.339 3.478 1.00 0.34 O ATOM 1215 CB THR B 118 -8.465 -1.892 5.188 1.00 0.19 C ATOM 1216 OG1 THR B 118 -8.914 -0.539 5.061 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.209 -1.939 6.043 1.00 0.20 C ATOM 0 H THR B 118 -7.041 -0.782 3.435 1.00 0.12 H new ATOM 0 HA THR B 118 -7.767 -3.491 3.913 1.00 0.16 H new ATOM 0 HB THR B 118 -9.241 -2.483 5.674 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.719 -0.213 4.158 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.419 -1.507 7.022 1.00 0.20 H new ATOM 0 HG22 THR B 118 -6.890 -2.974 6.164 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.417 -1.369 5.557 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.643 -1.904 1.935 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.858 -1.954 1.136 1.00 0.14 C ATOM 1227 C LEU B 119 -10.936 -3.299 0.407 1.00 0.15 C ATOM 1228 O LEU B 119 -10.013 -3.667 -0.315 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.882 -0.784 0.152 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.859 0.598 0.813 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.657 1.690 -0.224 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.143 0.843 1.592 1.00 1.01 C ATOM 0 H LEU B 119 -8.918 -1.289 1.567 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.730 -1.865 1.783 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.024 -0.869 -0.516 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.776 -0.863 -0.466 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.020 0.624 1.509 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.644 2.662 0.269 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.710 1.532 -0.739 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.472 1.661 -0.947 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.106 1.830 2.053 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -12.995 0.791 0.914 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.249 0.084 2.367 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.044 -4.049 0.579 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.203 -5.373 -0.030 1.00 0.26 C ATOM 1246 C PRO B 120 -12.617 -5.334 -1.496 1.00 0.26 C ATOM 1247 O PRO B 120 -12.169 -6.156 -2.295 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.309 -6.000 0.815 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.158 -4.849 1.236 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.240 -3.658 1.355 1.00 0.35 C ATOM 0 HA PRO B 120 -11.262 -5.922 -0.037 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.883 -6.727 0.241 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.899 -6.527 1.677 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.945 -4.660 0.506 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.649 -5.057 2.187 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.701 -2.757 0.951 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.990 -3.449 2.395 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.469 -4.381 -1.848 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.945 -4.263 -3.221 1.00 0.23 C ATOM 1260 C ASN B 121 -12.843 -3.766 -4.148 1.00 0.19 C ATOM 1261 O ASN B 121 -12.901 -3.977 -5.359 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.157 -3.334 -3.295 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.392 -3.954 -2.672 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.117 -4.704 -3.324 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.638 -3.641 -1.406 1.00 0.50 N ATOM 0 H ASN B 121 -13.843 -3.682 -1.207 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.245 -5.257 -3.553 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.927 -2.398 -2.787 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.362 -3.089 -4.337 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.456 -4.027 -0.935 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.009 -3.014 -0.904 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.840 -3.106 -3.578 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.734 -2.595 -4.370 1.00 0.13 C ATOM 1274 C LEU B 122 -9.632 -3.631 -4.520 1.00 0.16 C ATOM 1275 O LEU B 122 -9.162 -4.206 -3.538 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.177 -1.319 -3.746 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.677 -0.022 -4.381 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.178 -0.085 -4.617 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.327 1.163 -3.502 1.00 0.19 C ATOM 0 H LEU B 122 -11.773 -2.915 -2.578 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.117 -2.366 -5.365 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.431 -1.309 -2.686 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.089 -1.344 -3.813 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.184 0.103 -5.345 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.515 0.848 -5.070 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.407 -0.916 -5.285 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.690 -0.232 -3.666 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.689 2.080 -3.967 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.795 1.042 -2.525 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.245 1.220 -3.382 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.224 -3.857 -5.762 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.176 -4.823 -6.061 1.00 0.20 C ATOM 1293 C ASN B 123 -6.798 -4.189 -5.912 1.00 0.19 C ATOM 1294 O ASN B 123 -6.684 -3.018 -5.549 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.356 -5.380 -7.473 1.00 0.28 C ATOM 1296 CG ASN B 123 -8.682 -4.298 -8.484 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -9.849 -3.986 -8.723 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -7.650 -3.717 -9.083 1.00 1.39 N ATOM 0 H ASN B 123 -9.605 -3.383 -6.581 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.253 -5.644 -5.348 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.444 -5.894 -7.777 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -9.154 -6.122 -7.469 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -7.808 -2.981 -9.771 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -6.699 -4.006 -8.855 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.757 -4.963 -6.196 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.399 -4.461 -6.073 1.00 0.11 C ATOM 1307 C GLY B 124 -4.143 -3.214 -6.897 1.00 0.11 C ATOM 1308 O GLY B 124 -3.463 -2.296 -6.442 1.00 0.17 O ATOM 0 H GLY B 124 -5.828 -5.931 -6.510 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.193 -4.244 -5.025 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.702 -5.240 -6.380 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.687 -3.176 -8.108 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.491 -2.032 -8.996 1.00 0.14 C ATOM 1314 C ARG B 125 -5.070 -0.752 -8.398 1.00 0.12 C ATOM 1315 O ARG B 125 -4.351 0.226 -8.190 1.00 0.21 O ATOM 1316 CB ARG B 125 -5.130 -2.302 -10.361 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.877 -3.705 -10.889 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.466 -3.894 -12.278 1.00 0.90 C ATOM 1319 NE ARG B 125 -6.912 -3.695 -12.290 1.00 1.75 N ATOM 1320 CZ ARG B 125 -7.684 -3.939 -13.345 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -7.151 -4.391 -14.473 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -8.992 -3.733 -13.272 1.00 3.25 N ATOM 0 H ARG B 125 -5.265 -3.920 -8.498 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.417 -1.893 -9.120 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -6.205 -2.140 -10.287 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.747 -1.578 -11.081 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.804 -3.895 -10.919 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.311 -4.435 -10.206 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -4.998 -3.193 -12.969 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -5.235 -4.897 -12.636 1.00 0.90 H new ATOM 0 HE ARG B 125 -7.356 -3.349 -11.440 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -6.146 -4.553 -14.533 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -7.747 -4.577 -15.280 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -9.406 -3.387 -12.406 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -9.584 -3.920 -14.081 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.372 -0.766 -8.128 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.058 0.395 -7.567 1.00 0.11 C ATOM 1338 C GLN B 126 -6.371 0.910 -6.301 1.00 0.09 C ATOM 1339 O GLN B 126 -6.035 2.091 -6.212 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.519 0.046 -7.277 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.293 -0.358 -8.521 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.717 -0.779 -8.221 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.007 -1.321 -7.158 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.614 -0.527 -9.163 1.00 0.64 N ATOM 0 H GLN B 126 -6.976 -1.572 -8.289 1.00 0.12 H new ATOM 0 HA GLN B 126 -7.016 1.196 -8.305 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.555 -0.768 -6.553 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.007 0.905 -6.815 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -9.307 0.477 -9.221 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.773 -1.179 -9.015 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -11.328 -0.075 -10.031 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.590 -0.785 -9.020 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.161 0.029 -5.325 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.520 0.424 -4.073 1.00 0.08 C ATOM 1355 C VAL B 127 -4.120 0.989 -4.317 1.00 0.08 C ATOM 1356 O VAL B 127 -3.785 2.058 -3.812 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.439 -0.753 -3.073 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.831 -1.257 -2.727 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.581 -1.882 -3.626 1.00 0.10 C ATOM 0 H VAL B 127 -6.423 -0.955 -5.376 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.144 1.204 -3.637 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.967 -0.389 -2.160 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.753 -2.085 -2.022 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.409 -0.450 -2.276 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.330 -1.598 -3.634 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.541 -2.696 -2.903 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.014 -2.245 -4.558 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.572 -1.514 -3.814 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.311 0.280 -5.103 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.951 0.724 -5.400 1.00 0.10 C ATOM 1371 C ALA B 128 -1.959 2.074 -6.107 1.00 0.10 C ATOM 1372 O ALA B 128 -0.941 2.764 -6.161 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.219 -0.313 -6.242 1.00 0.10 C ATOM 0 H ALA B 128 -3.573 -0.602 -5.544 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.421 0.839 -4.454 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.208 0.037 -6.452 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.171 -1.256 -5.697 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.753 -0.463 -7.180 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.114 2.443 -6.650 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.258 3.714 -7.347 1.00 0.09 C ATOM 1381 C ALA B 129 -3.557 4.833 -6.360 1.00 0.09 C ATOM 1382 O ALA B 129 -3.149 5.977 -6.557 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.353 3.625 -8.398 1.00 0.10 C ATOM 0 H ALA B 129 -3.964 1.879 -6.620 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.317 3.939 -7.849 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.446 4.584 -8.908 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.100 2.851 -9.123 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.299 3.376 -7.917 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.278 4.492 -5.295 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.630 5.461 -4.264 1.00 0.08 C ATOM 1391 C PHE B 130 -3.467 5.655 -3.296 1.00 0.09 C ATOM 1392 O PHE B 130 -3.328 6.712 -2.679 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.879 5.001 -3.508 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.162 5.208 -4.269 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.685 6.480 -4.432 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.845 4.132 -4.821 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.862 6.678 -5.128 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -9.023 4.326 -5.517 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.532 5.580 -5.676 1.00 0.16 C ATOM 0 H PHE B 130 -4.630 3.550 -5.124 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.844 6.416 -4.744 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.777 3.943 -3.267 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.938 5.539 -2.562 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.166 7.328 -4.010 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.451 3.133 -4.705 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.262 7.674 -5.248 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.544 3.478 -5.938 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.451 5.725 -6.224 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.633 4.625 -3.168 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.470 4.683 -2.289 1.00 0.09 C ATOM 1411 C ILE B 131 -0.398 5.558 -2.914 1.00 0.10 C ATOM 1412 O ILE B 131 0.238 6.369 -2.239 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.876 3.282 -2.037 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.942 2.341 -1.465 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.323 3.377 -1.101 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.234 2.559 0.003 1.00 0.13 C ATOM 0 H ILE B 131 -2.742 3.740 -3.663 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.799 5.099 -1.337 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.537 2.871 -2.988 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.865 2.468 -2.031 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.618 1.311 -1.611 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.732 2.381 -0.932 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.087 4.011 -1.551 1.00 0.12 H new ATOM 0 HG23 ILE B 131 0.009 3.807 -0.150 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -2.998 1.854 0.330 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.324 2.402 0.582 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.590 3.578 0.156 1.00 0.13 H new ATOM 1428 N SER B 132 -0.207 5.376 -4.214 1.00 0.11 N ATOM 1429 CA SER B 132 0.781 6.139 -4.965 1.00 0.13 C ATOM 1430 C SER B 132 0.543 7.637 -4.806 1.00 0.15 C ATOM 1431 O SER B 132 1.430 8.374 -4.375 1.00 0.21 O ATOM 1432 CB SER B 132 0.723 5.760 -6.444 1.00 0.17 C ATOM 1433 OG SER B 132 1.708 6.452 -7.191 1.00 0.63 O ATOM 0 H SER B 132 -0.728 4.701 -4.774 1.00 0.11 H new ATOM 0 HA SER B 132 1.769 5.901 -4.571 1.00 0.13 H new ATOM 0 HB2 SER B 132 0.870 4.685 -6.552 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.266 5.989 -6.842 1.00 0.17 H new ATOM 0 HG SER B 132 1.649 6.189 -8.133 1.00 0.63 H new ATOM 1439 N SER B 133 -0.661 8.076 -5.160 1.00 0.15 N ATOM 1440 CA SER B 133 -1.024 9.488 -5.056 1.00 0.19 C ATOM 1441 C SER B 133 -0.780 10.006 -3.643 1.00 0.18 C ATOM 1442 O SER B 133 -0.349 11.143 -3.450 1.00 0.26 O ATOM 1443 CB SER B 133 -2.494 9.685 -5.427 1.00 0.23 C ATOM 1444 OG SER B 133 -2.784 11.053 -5.651 1.00 0.74 O ATOM 0 H SER B 133 -1.402 7.476 -5.521 1.00 0.15 H new ATOM 0 HA SER B 133 -0.399 10.051 -5.749 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.727 9.109 -6.323 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.129 9.302 -4.628 1.00 0.23 H new ATOM 0 HG SER B 133 -2.004 11.596 -5.413 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.061 9.158 -2.661 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.885 9.514 -1.257 1.00 0.13 C ATOM 1452 C LEU B 134 0.561 9.890 -0.958 1.00 0.15 C ATOM 1453 O LEU B 134 0.833 10.916 -0.336 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.308 8.345 -0.365 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.421 8.656 0.634 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.687 7.451 1.521 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -2.056 9.870 1.474 1.00 0.20 C ATOM 0 H LEU B 134 -1.414 8.213 -2.812 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.513 10.380 -1.049 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.633 7.523 -1.002 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.435 7.995 0.186 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.332 8.884 0.081 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.482 7.688 2.228 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -2.990 6.605 0.904 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.780 7.195 2.068 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.859 10.078 2.181 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.134 9.670 2.021 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.912 10.733 0.823 1.00 0.20 H new ATOM 1469 N LEU B 135 1.484 9.050 -1.408 1.00 0.17 N ATOM 1470 CA LEU B 135 2.907 9.274 -1.181 1.00 0.22 C ATOM 1471 C LEU B 135 3.447 10.387 -2.074 1.00 0.24 C ATOM 1472 O LEU B 135 4.459 11.012 -1.757 1.00 0.31 O ATOM 1473 CB LEU B 135 3.682 7.975 -1.429 1.00 0.26 C ATOM 1474 CG LEU B 135 3.595 6.910 -0.320 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.323 7.056 0.509 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.662 5.519 -0.929 1.00 0.65 C ATOM 0 H LEU B 135 1.272 8.203 -1.935 1.00 0.17 H new ATOM 0 HA LEU B 135 3.040 9.586 -0.145 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.322 7.533 -2.358 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.732 8.226 -1.582 1.00 0.26 H new ATOM 0 HG LEU B 135 4.444 7.058 0.348 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.301 6.286 1.280 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.305 8.040 0.978 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.453 6.947 -0.138 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.600 4.772 -0.138 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.831 5.384 -1.621 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.604 5.402 -1.466 1.00 0.65 H new ATOM 1488 N ASP B 136 2.768 10.631 -3.190 1.00 0.22 N ATOM 1489 CA ASP B 136 3.187 11.668 -4.128 1.00 0.26 C ATOM 1490 C ASP B 136 2.681 13.041 -3.693 1.00 0.25 C ATOM 1491 O ASP B 136 3.202 14.069 -4.126 1.00 0.29 O ATOM 1492 CB ASP B 136 2.680 11.351 -5.535 1.00 0.29 C ATOM 1493 CG ASP B 136 3.186 12.341 -6.565 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.304 12.140 -7.084 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.464 13.320 -6.851 1.00 0.40 O ATOM 0 H ASP B 136 1.926 10.126 -3.467 1.00 0.22 H new ATOM 0 HA ASP B 136 4.277 11.689 -4.136 1.00 0.26 H new ATOM 0 HB2 ASP B 136 2.996 10.346 -5.815 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.590 11.355 -5.536 1.00 0.29 H new ATOM 1500 N ASP B 137 1.666 13.050 -2.835 1.00 0.24 N ATOM 1501 CA ASP B 137 1.089 14.297 -2.347 1.00 0.27 C ATOM 1502 C ASP B 137 0.200 14.047 -1.129 1.00 0.22 C ATOM 1503 O ASP B 137 -1.026 14.029 -1.236 1.00 0.24 O ATOM 1504 CB ASP B 137 0.294 14.979 -3.461 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.759 14.073 -4.071 1.00 1.19 C ATOM 1506 OD1 ASP B 137 -0.415 13.290 -4.982 1.00 2.13 O ATOM 1507 OD2 ASP B 137 -1.927 14.141 -3.634 1.00 1.42 O ATOM 0 H ASP B 137 1.226 12.208 -2.463 1.00 0.24 H new ATOM 0 HA ASP B 137 1.901 14.956 -2.040 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.188 15.872 -3.063 1.00 0.38 H new ATOM 0 HB3 ASP B 137 0.980 15.308 -4.242 1.00 0.38 H new ATOM 1512 N PRO B 138 0.814 13.849 0.052 1.00 0.19 N ATOM 1513 CA PRO B 138 0.080 13.597 1.300 1.00 0.21 C ATOM 1514 C PRO B 138 -0.921 14.701 1.633 1.00 0.22 C ATOM 1515 O PRO B 138 -1.702 14.575 2.576 1.00 0.31 O ATOM 1516 CB PRO B 138 1.183 13.540 2.362 1.00 0.24 C ATOM 1517 CG PRO B 138 2.420 13.194 1.608 1.00 0.25 C ATOM 1518 CD PRO B 138 2.273 13.843 0.263 1.00 0.23 C ATOM 0 HA PRO B 138 -0.518 12.688 1.234 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.287 14.496 2.876 1.00 0.24 H new ATOM 0 HB3 PRO B 138 0.961 12.792 3.123 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.308 13.560 2.124 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.530 12.114 1.511 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.686 14.852 0.255 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.790 13.281 -0.514 1.00 0.23 H new ATOM 1526 N SER B 139 -0.893 15.785 0.863 1.00 0.20 N ATOM 1527 CA SER B 139 -1.807 16.899 1.085 1.00 0.22 C ATOM 1528 C SER B 139 -3.246 16.470 0.829 1.00 0.19 C ATOM 1529 O SER B 139 -4.154 16.821 1.584 1.00 0.19 O ATOM 1530 CB SER B 139 -1.444 18.078 0.182 1.00 0.28 C ATOM 1531 OG SER B 139 -2.326 19.168 0.389 1.00 1.15 O ATOM 0 H SER B 139 -0.249 15.915 0.083 1.00 0.20 H new ATOM 0 HA SER B 139 -1.715 17.212 2.125 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.420 18.392 0.382 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.484 17.767 -0.862 1.00 0.28 H new ATOM 0 HG SER B 139 -2.072 19.910 -0.199 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.448 15.707 -0.242 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.778 15.225 -0.600 1.00 0.17 C ATOM 1539 C GLN B 140 -5.056 13.873 0.041 1.00 0.15 C ATOM 1540 O GLN B 140 -5.931 13.143 -0.406 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.919 15.102 -2.116 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.890 16.432 -2.847 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.991 17.371 -2.395 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -7.091 17.369 -2.950 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.701 18.182 -1.384 1.00 1.37 N ATOM 0 H GLN B 140 -2.707 15.409 -0.877 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.502 15.951 -0.229 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.114 14.472 -2.496 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.856 14.594 -2.344 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.923 16.909 -2.687 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.985 16.255 -3.918 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.777 18.150 -0.954 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.402 18.837 -1.038 1.00 1.37 H new ATOM 1554 N SER B 141 -4.303 13.551 1.084 1.00 0.15 N ATOM 1555 CA SER B 141 -4.454 12.280 1.787 1.00 0.13 C ATOM 1556 C SER B 141 -5.918 11.956 2.074 1.00 0.13 C ATOM 1557 O SER B 141 -6.432 10.933 1.626 1.00 0.18 O ATOM 1558 CB SER B 141 -3.669 12.305 3.099 1.00 0.15 C ATOM 1559 OG SER B 141 -3.869 11.113 3.838 1.00 1.01 O ATOM 0 H SER B 141 -3.576 14.156 1.466 1.00 0.15 H new ATOM 0 HA SER B 141 -4.059 11.501 1.135 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.607 12.432 2.888 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.980 13.163 3.696 1.00 0.15 H new ATOM 0 HG SER B 141 -3.001 10.746 4.108 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.581 12.829 2.823 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.980 12.619 3.177 1.00 0.17 C ATOM 1567 C ALA B 142 -8.876 12.572 1.945 1.00 0.17 C ATOM 1568 O ALA B 142 -9.931 11.940 1.967 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.452 13.702 4.135 1.00 0.20 C ATOM 0 H ALA B 142 -6.174 13.687 3.196 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.052 11.650 3.672 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.498 13.532 4.390 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.848 13.674 5.042 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.349 14.678 3.660 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.462 13.240 0.874 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.249 13.260 -0.353 1.00 0.18 C ATOM 1577 C ASN B 143 -9.001 11.998 -1.163 1.00 0.16 C ATOM 1578 O ASN B 143 -9.874 11.526 -1.888 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.914 14.492 -1.188 1.00 0.20 C ATOM 1580 CG ASN B 143 -9.105 15.783 -0.416 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -10.189 16.367 -0.419 1.00 0.26 O ATOM 1582 ND2 ASN B 143 -8.049 16.236 0.252 1.00 0.23 N ATOM 0 H ASN B 143 -7.592 13.771 0.830 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.304 13.302 -0.080 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.881 14.426 -1.530 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.544 14.507 -2.077 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -8.118 17.100 0.790 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -7.170 15.720 0.227 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.798 11.460 -1.022 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.394 10.257 -1.726 1.00 0.12 C ATOM 1591 C LEU B 144 -8.007 9.035 -1.067 1.00 0.11 C ATOM 1592 O LEU B 144 -8.406 8.082 -1.738 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.870 10.166 -1.733 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.174 11.210 -2.608 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.687 11.231 -2.321 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.435 10.930 -4.080 1.00 0.14 C ATOM 0 H LEU B 144 -7.076 11.848 -0.415 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.750 10.297 -2.756 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.508 10.269 -0.710 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.580 9.173 -2.075 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.583 12.192 -2.370 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.205 11.979 -2.951 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.522 11.479 -1.273 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.262 10.250 -2.532 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.933 11.682 -4.688 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -5.052 9.942 -4.336 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.507 10.965 -4.272 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.077 9.074 0.256 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.673 7.993 1.018 1.00 0.11 C ATOM 1610 C LEU B 145 -10.183 8.084 0.888 1.00 0.12 C ATOM 1611 O LEU B 145 -10.893 7.080 0.956 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.245 8.073 2.485 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.092 7.262 3.471 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.124 5.796 3.073 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.550 7.420 4.885 1.00 0.16 C ATOM 0 H LEU B 145 -7.726 9.846 0.823 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.333 7.033 0.629 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.211 7.737 2.561 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.264 9.118 2.793 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.113 7.643 3.444 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.731 5.238 3.786 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.555 5.699 2.076 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.109 5.398 3.070 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.161 6.839 5.576 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.521 7.063 4.922 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.580 8.471 5.171 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.662 9.308 0.690 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.085 9.546 0.517 1.00 0.17 C ATOM 1629 C ALA B 146 -12.545 8.949 -0.804 1.00 0.16 C ATOM 1630 O ALA B 146 -13.557 8.253 -0.864 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.390 11.036 0.563 1.00 0.20 C ATOM 0 H ALA B 146 -10.084 10.147 0.646 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.625 9.066 1.333 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.461 11.192 0.432 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.080 11.441 1.526 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.848 11.543 -0.236 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.779 9.223 -1.859 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.083 8.705 -3.185 1.00 0.19 C ATOM 1639 C GLU B 147 -12.082 7.188 -3.151 1.00 0.16 C ATOM 1640 O GLU B 147 -12.998 6.537 -3.652 1.00 0.18 O ATOM 1641 CB GLU B 147 -11.041 9.194 -4.191 1.00 0.27 C ATOM 1642 CG GLU B 147 -11.070 10.693 -4.420 1.00 0.18 C ATOM 1643 CD GLU B 147 -12.088 11.108 -5.463 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.926 10.718 -6.638 1.00 0.57 O ATOM 1645 OE2 GLU B 147 -13.047 11.822 -5.104 1.00 0.62 O ATOM 0 H GLU B 147 -10.941 9.803 -1.817 1.00 0.18 H new ATOM 0 HA GLU B 147 -13.067 9.063 -3.489 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -10.049 8.908 -3.841 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.202 8.687 -5.142 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.295 11.195 -3.479 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -10.080 11.028 -4.731 1.00 0.18 H new ATOM 1652 N ALA B 148 -11.030 6.641 -2.554 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.877 5.201 -2.420 1.00 0.12 C ATOM 1654 C ALA B 148 -12.123 4.580 -1.804 1.00 0.14 C ATOM 1655 O ALA B 148 -12.602 3.541 -2.256 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.658 4.892 -1.568 1.00 0.11 C ATOM 0 H ALA B 148 -10.264 7.181 -2.152 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.739 4.771 -3.412 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.547 3.812 -1.470 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.768 5.307 -2.042 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.783 5.335 -0.580 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.637 5.227 -0.762 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.832 4.753 -0.078 1.00 0.17 C ATOM 1664 C LYS B 149 -15.044 4.794 -1.004 1.00 0.17 C ATOM 1665 O LYS B 149 -15.948 3.968 -0.889 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.092 5.594 1.174 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.157 5.268 2.326 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.492 6.082 3.565 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.447 5.889 4.652 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.792 6.633 5.895 1.00 1.01 N ATOM 0 H LYS B 149 -12.242 6.083 -0.373 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.667 3.717 0.219 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.990 6.649 0.921 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.122 5.442 1.497 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.223 4.205 2.559 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.128 5.466 2.027 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.556 7.138 3.303 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.471 5.787 3.942 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.352 4.827 4.879 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.477 6.225 4.286 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.054 6.475 6.611 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.858 7.649 5.684 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.706 6.295 6.259 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.058 5.756 -1.925 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.162 5.880 -2.869 1.00 0.20 C ATOM 1686 C LYS B 150 -16.123 4.737 -3.871 1.00 0.21 C ATOM 1687 O LYS B 150 -17.152 4.151 -4.205 1.00 0.30 O ATOM 1688 CB LYS B 150 -16.101 7.214 -3.615 1.00 0.25 C ATOM 1689 CG LYS B 150 -16.068 8.431 -2.706 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.320 9.718 -3.473 1.00 0.81 C ATOM 1691 CE LYS B 150 -15.363 9.885 -4.644 1.00 1.28 C ATOM 1692 NZ LYS B 150 -15.688 11.091 -5.456 1.00 1.99 N ATOM 0 H LYS B 150 -14.323 6.455 -2.036 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.093 5.840 -2.304 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.215 7.223 -4.249 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.966 7.289 -4.274 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.820 8.321 -1.925 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.099 8.488 -2.210 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -17.346 9.725 -3.841 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -16.217 10.568 -2.798 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -14.342 9.962 -4.271 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -15.405 8.999 -5.277 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -16.018 10.797 -6.397 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -16.435 11.638 -4.982 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -14.838 11.681 -5.556 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.921 4.427 -4.344 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.729 3.355 -5.310 1.00 0.16 C ATOM 1708 C LEU B 151 -15.103 2.012 -4.698 1.00 0.15 C ATOM 1709 O LEU B 151 -15.819 1.215 -5.305 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.273 3.329 -5.788 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.972 2.332 -6.912 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.994 2.451 -8.029 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.565 2.545 -7.449 1.00 0.18 C ATOM 0 H LEU B 151 -14.063 4.906 -4.072 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.379 3.540 -6.165 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -13.001 4.328 -6.128 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.632 3.097 -4.937 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.037 1.325 -6.500 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.759 1.733 -8.815 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.989 2.245 -7.635 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.968 3.460 -8.440 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.368 1.829 -8.247 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.475 3.558 -7.841 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.843 2.401 -6.645 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.605 1.768 -3.494 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.887 0.526 -2.781 1.00 0.14 C ATOM 1727 C ASN B 152 -16.385 0.358 -2.557 1.00 0.17 C ATOM 1728 O ASN B 152 -16.956 -0.680 -2.886 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.143 0.501 -1.446 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.275 -0.832 -0.737 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.600 -1.799 -1.085 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -15.135 -0.886 0.273 1.00 0.69 N ATOM 0 H ASN B 152 -14.001 2.415 -2.987 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.539 -0.307 -3.392 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.088 0.716 -1.617 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.529 1.292 -0.803 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -15.256 -1.754 0.794 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.675 -0.059 0.528 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.018 1.385 -1.999 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.452 1.343 -1.741 1.00 0.23 C ATOM 1741 C ASP B 153 -19.237 1.294 -3.048 1.00 0.25 C ATOM 1742 O ASP B 153 -20.377 0.831 -3.083 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.885 2.557 -0.916 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.526 2.417 0.552 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -17.385 2.767 0.919 1.00 2.25 O ATOM 1746 OD2 ASP B 153 -19.385 1.958 1.333 1.00 1.04 O ATOM 0 H ASP B 153 -16.562 2.253 -1.718 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.666 0.437 -1.174 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.413 3.453 -1.319 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -19.962 2.693 -1.012 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.617 1.775 -4.124 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.257 1.782 -5.435 1.00 0.28 C ATOM 1753 C ALA B 154 -19.521 0.362 -5.917 1.00 0.30 C ATOM 1754 O ALA B 154 -20.640 0.021 -6.297 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.395 2.530 -6.441 1.00 0.28 C ATOM 0 H ALA B 154 -17.674 2.164 -4.113 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.214 2.295 -5.344 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.886 2.527 -7.414 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.257 3.559 -6.108 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.424 2.041 -6.523 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.478 -0.462 -5.899 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.590 -1.850 -6.329 1.00 0.35 C ATOM 1763 C GLN B 155 -19.177 -2.709 -5.215 1.00 0.36 C ATOM 1764 O GLN B 155 -19.714 -3.788 -5.464 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.219 -2.391 -6.734 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.520 -1.548 -7.787 1.00 0.36 C ATOM 1767 CD GLN B 155 -15.149 -2.087 -8.148 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -15.007 -2.883 -9.077 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -14.131 -1.658 -7.411 1.00 0.39 N ATOM 0 H GLN B 155 -17.544 -0.191 -5.590 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.257 -1.890 -7.191 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.585 -2.451 -5.849 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.336 -3.407 -7.112 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -17.138 -1.507 -8.684 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.420 -0.526 -7.422 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.294 -0.998 -6.651 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.186 -1.988 -7.605 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.066 -2.216 -3.985 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.582 -2.928 -2.820 1.00 0.34 C ATOM 1780 C ALA B 156 -21.073 -3.229 -2.967 1.00 0.47 C ATOM 1781 O ALA B 156 -21.783 -2.525 -3.685 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.326 -2.120 -1.557 1.00 0.36 C ATOM 0 H ALA B 156 -18.622 -1.324 -3.769 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.056 -3.880 -2.746 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.715 -2.661 -0.694 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.254 -1.965 -1.435 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.825 -1.154 -1.635 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.571 -4.280 -2.289 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.986 -4.660 -2.358 1.00 0.68 C ATOM 1790 C PRO B 157 -23.903 -3.549 -1.858 1.00 0.79 C ATOM 1791 O PRO B 157 -24.689 -2.987 -2.622 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.086 -5.886 -1.442 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.689 -6.389 -1.312 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.806 -5.180 -1.409 1.00 0.48 C ATOM 0 HA PRO B 157 -23.300 -4.858 -3.383 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.501 -5.619 -0.470 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -23.740 -6.646 -1.870 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.546 -6.902 -0.361 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.457 -7.106 -2.099 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.626 -4.732 -0.432 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.831 -5.425 -1.831 1.00 0.48 H new ATOM 1802 N LYS B 158 -23.793 -3.237 -0.570 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.607 -2.197 0.041 1.00 1.17 C ATOM 1804 C LYS B 158 -24.153 -0.810 -0.406 1.00 1.23 C ATOM 1805 O LYS B 158 -23.251 -0.243 0.246 1.00 1.76 O ATOM 1806 CB LYS B 158 -24.540 -2.307 1.565 1.00 1.46 C ATOM 1807 CG LYS B 158 -25.007 -3.647 2.093 1.00 1.69 C ATOM 1808 CD LYS B 158 -24.768 -3.776 3.588 1.00 2.47 C ATOM 1809 CE LYS B 158 -25.188 -5.142 4.104 1.00 3.07 C ATOM 1810 NZ LYS B 158 -26.628 -5.419 3.837 1.00 3.60 N ATOM 1811 OXT LYS B 158 -24.705 -0.302 -1.405 1.00 1.64 O ATOM 0 H LYS B 158 -23.144 -3.693 0.071 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.638 -2.337 -0.284 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -23.514 -2.135 1.889 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -25.150 -1.519 2.006 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -26.069 -3.771 1.882 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -24.483 -4.447 1.570 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -23.712 -3.613 3.804 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -25.324 -3.000 4.115 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -24.577 -5.912 3.633 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -25.000 -5.198 5.176 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -26.930 -6.248 4.388 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -27.197 -4.594 4.113 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -26.763 -5.609 2.823 1.00 3.60 H new TER 1825 LYS B 158