USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=30 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 123 ASN :FLIP amide:sc= -0.81 F(o=-9.5!,f=-7.5) USER MOD Set 1.2: B 126 GLN : amide:sc= -6.78! K(o=-7.5!,f=-9.5) USER MOD Set 1.3: B 155 GLN :FLIP amide:sc= 0.0901 F(o=-9.4,f=-7.5) USER MOD Set 2.1: B 139 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 140 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.18) USER MOD Set 3.1: A 26 GLN :FLIP amide:sc= -1.71! C(o=-7.5!,f=-2.6!) USER MOD Set 3.2: A 55 GLN : amide:sc= -0.932 K(o=-2.6,f=-7.5) USER MOD Single : A 1 VAL N :NH3+ 174:sc= -0.443 (180deg=-0.49) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.665 F(o=-1.6,f=-0.67) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0302 (180deg=-0.299) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.126 F(o=-1.5!,f=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.0444 (180deg=-0.254) USER MOD Single : A 9 GLN :FLIP amide:sc= -3.46 F(o=-4.3!,f=-3.5) USER MOD Single : A 10 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.98) USER MOD Single : A 11 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.56) USER MOD Single : A 14 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 18 HIS : no HD1:sc= -0.347 X(o=-0.35,f=0.089) USER MOD Single : A 21 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.82) USER MOD Single : A 23 ASN : amide:sc= -0.006 K(o=-0.006,f=-11!) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.55 F(o=-5.6!,f=-2.5) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.79 F(o=-3.7!,f=-1.8) USER MOD Single : A 33 SER OG : rot -19:sc= -0.011 USER MOD Single : A 35 LYS NZ :NH3+ -109:sc= 0.0279 (180deg=-0.0275) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.038) USER MOD Single : A 41 SER OG : rot -91:sc= 0.673 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.114 F(o=-2.5!,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.94 K(o=-1.9,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0248 (180deg=-0.179) USER MOD Single : B 103 ASN :FLIP amide:sc= -0.0815 F(o=-2.3!,f=-0.081) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.17) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 140:sc= -0.503 USER MOD Single : B 110 GLN : amide:sc= -0.872 K(o=-0.87,f=-2.1!) USER MOD Single : B 113 SER OG : rot -35:sc= -0.758 USER MOD Single : B 118 THR OG1 : rot -28:sc= 1.18 USER MOD Single : B 121 ASN : amide:sc= -3.05! C(o=-3.1!,f=-4.1!) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.187 USER MOD Single : B 141 SER OG : rot 180:sc= -1.16 USER MOD Single : B 143 ASN :FLIP amide:sc= 0 F(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+ 163:sc= -0.116 (180deg=-0.568) USER MOD Single : B 152 ASN :FLIP amide:sc= -1.1 F(o=-5.8!,f=-1.1) USER MOD Single : B 158 LYS NZ :NH3+ 166:sc= -0.0397 (180deg=-0.229) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.241 -16.237 -0.007 1.00 6.84 N ATOM 2 CA VAL A 1 -5.848 -17.264 0.878 1.00 6.39 C ATOM 3 C VAL A 1 -6.566 -16.614 2.059 1.00 5.45 C ATOM 4 O VAL A 1 -7.585 -17.118 2.533 1.00 5.57 O ATOM 5 CB VAL A 1 -4.782 -18.245 1.407 1.00 7.06 C ATOM 6 CG1 VAL A 1 -3.697 -17.499 2.169 1.00 7.37 C ATOM 7 CG2 VAL A 1 -5.422 -19.314 2.280 1.00 7.36 C ATOM 0 H1 VAL A 1 -4.675 -16.704 -0.744 1.00 6.84 H new ATOM 0 H2 VAL A 1 -5.994 -15.675 -0.453 1.00 6.84 H new ATOM 0 H3 VAL A 1 -4.629 -15.612 0.555 1.00 6.84 H new ATOM 0 HA VAL A 1 -6.572 -17.817 0.280 1.00 6.39 H new ATOM 0 HB VAL A 1 -4.317 -18.739 0.554 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -2.955 -18.209 2.534 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -3.216 -16.780 1.506 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -4.142 -16.973 3.014 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -4.653 -19.996 2.643 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -5.918 -18.842 3.128 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -6.154 -19.871 1.695 1.00 7.36 H new ATOM 19 N ASP A 2 -6.027 -15.493 2.527 1.00 4.87 N ATOM 20 CA ASP A 2 -6.615 -14.767 3.649 1.00 4.23 C ATOM 21 C ASP A 2 -6.747 -13.283 3.321 1.00 3.33 C ATOM 22 O ASP A 2 -5.791 -12.520 3.460 1.00 3.72 O ATOM 23 CB ASP A 2 -5.765 -14.953 4.908 1.00 5.03 C ATOM 24 CG ASP A 2 -5.743 -16.392 5.387 1.00 5.73 C ATOM 25 OD1 ASP A 2 -6.719 -16.814 6.043 1.00 6.23 O ATOM 26 OD2 ASP A 2 -4.751 -17.096 5.108 1.00 6.07 O ATOM 0 H ASP A 2 -5.182 -15.066 2.146 1.00 4.87 H new ATOM 0 HA ASP A 2 -7.610 -15.171 3.833 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -4.745 -14.625 4.706 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -6.153 -14.315 5.702 1.00 5.03 H new ATOM 31 N ASN A 3 -7.937 -12.883 2.886 1.00 2.66 N ATOM 32 CA ASN A 3 -8.200 -11.500 2.536 1.00 2.31 C ATOM 33 C ASN A 3 -8.656 -10.709 3.759 1.00 1.47 C ATOM 34 O ASN A 3 -8.759 -9.486 3.716 1.00 2.12 O ATOM 35 CB ASN A 3 -9.262 -11.444 1.435 1.00 2.82 C ATOM 36 CG ASN A 3 -9.881 -10.071 1.290 1.00 3.16 C ATOM 37 OD1 ASN A 3 -10.868 -9.784 2.128 1.00 3.78 O flip ATOM 38 ND2 ASN A 3 -9.473 -9.276 0.443 1.00 3.18 N flip ATOM 0 H ASN A 3 -8.737 -13.505 2.768 1.00 2.66 H new ATOM 0 HA ASN A 3 -7.279 -11.047 2.169 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -8.812 -11.737 0.487 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -10.045 -12.170 1.654 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -8.711 -9.542 -0.180 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -9.897 -8.352 0.365 1.00 3.18 H new ATOM 45 N LYS A 4 -8.917 -11.418 4.853 1.00 0.80 N ATOM 46 CA LYS A 4 -9.367 -10.786 6.091 1.00 1.31 C ATOM 47 C LYS A 4 -8.362 -9.751 6.592 1.00 1.28 C ATOM 48 O LYS A 4 -8.658 -8.983 7.508 1.00 2.13 O ATOM 49 CB LYS A 4 -9.600 -11.845 7.167 1.00 2.13 C ATOM 50 CG LYS A 4 -10.692 -12.842 6.814 1.00 2.28 C ATOM 51 CD LYS A 4 -10.929 -13.834 7.941 1.00 3.10 C ATOM 52 CE LYS A 4 -12.025 -14.826 7.587 1.00 3.72 C ATOM 53 NZ LYS A 4 -13.319 -14.144 7.305 1.00 4.09 N ATOM 0 H LYS A 4 -8.825 -12.432 4.908 1.00 0.80 H new ATOM 0 HA LYS A 4 -10.303 -10.270 5.878 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -8.669 -12.385 7.341 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -9.861 -11.349 8.102 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -11.617 -12.308 6.598 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -10.415 -13.380 5.907 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -10.005 -14.372 8.155 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -11.202 -13.297 8.849 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -11.722 -15.406 6.715 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -12.157 -15.530 8.408 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -14.090 -14.842 7.319 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -13.495 -13.420 8.030 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -13.277 -13.693 6.369 1.00 4.09 H new ATOM 67 N PHE A 5 -7.172 -9.749 5.992 1.00 0.53 N ATOM 68 CA PHE A 5 -6.115 -8.813 6.366 1.00 0.42 C ATOM 69 C PHE A 5 -5.600 -9.115 7.769 1.00 0.40 C ATOM 70 O PHE A 5 -5.983 -8.464 8.741 1.00 0.49 O ATOM 71 CB PHE A 5 -6.614 -7.364 6.282 1.00 0.34 C ATOM 72 CG PHE A 5 -7.090 -6.968 4.910 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.186 -6.772 3.878 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.441 -6.791 4.653 1.00 0.35 C ATOM 75 CE1 PHE A 5 -6.618 -6.406 2.618 1.00 0.40 C ATOM 76 CE2 PHE A 5 -8.880 -6.425 3.394 1.00 0.39 C ATOM 77 CZ PHE A 5 -7.968 -6.239 2.374 1.00 0.40 C ATOM 0 H PHE A 5 -6.916 -10.390 5.241 1.00 0.53 H new ATOM 0 HA PHE A 5 -5.293 -8.935 5.661 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.429 -7.228 6.993 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.810 -6.694 6.586 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.130 -6.907 4.061 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.159 -6.941 5.446 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -5.902 -6.251 1.825 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -9.935 -6.285 3.209 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.309 -5.963 1.387 1.00 0.40 H new ATOM 87 N ASN A 6 -4.728 -10.115 7.861 1.00 0.35 N ATOM 88 CA ASN A 6 -4.155 -10.521 9.136 1.00 0.37 C ATOM 89 C ASN A 6 -3.100 -9.526 9.612 1.00 0.37 C ATOM 90 O ASN A 6 -2.960 -8.440 9.050 1.00 0.36 O ATOM 91 CB ASN A 6 -3.542 -11.916 9.014 1.00 0.36 C ATOM 92 CG ASN A 6 -4.591 -12.988 8.792 1.00 0.97 C ATOM 93 OD1 ASN A 6 -4.909 -13.254 7.531 1.00 1.73 O flip ATOM 94 ND2 ASN A 6 -5.111 -13.570 9.744 1.00 1.69 N flip ATOM 0 H ASN A 6 -4.403 -10.660 7.062 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.956 -10.542 9.875 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.833 -11.928 8.186 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.979 -12.144 9.919 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -4.837 -13.334 10.698 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -5.816 -14.288 9.579 1.00 1.69 H new ATOM 101 N LYS A 7 -2.360 -9.905 10.649 1.00 0.40 N ATOM 102 CA LYS A 7 -1.321 -9.044 11.204 1.00 0.43 C ATOM 103 C LYS A 7 -0.145 -8.918 10.242 1.00 0.40 C ATOM 104 O LYS A 7 0.240 -7.813 9.863 1.00 0.38 O ATOM 105 CB LYS A 7 -0.841 -9.591 12.550 1.00 0.52 C ATOM 106 CG LYS A 7 0.160 -8.687 13.259 1.00 0.58 C ATOM 107 CD LYS A 7 -0.418 -7.304 13.530 1.00 0.60 C ATOM 108 CE LYS A 7 -1.606 -7.364 14.479 1.00 1.39 C ATOM 109 NZ LYS A 7 -1.231 -7.926 15.806 1.00 1.90 N ATOM 0 H LYS A 7 -2.460 -10.803 11.122 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.748 -8.053 11.355 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.704 -9.742 13.199 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.386 -10.569 12.393 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.460 -9.146 14.201 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.059 -8.592 12.650 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.355 -6.664 13.955 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.727 -6.848 12.589 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -2.015 -6.362 14.612 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -2.393 -7.974 14.036 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -2.004 -7.764 16.482 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -1.059 -8.948 15.714 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 -0.367 -7.459 16.149 1.00 1.90 H new ATOM 123 N GLU A 8 0.423 -10.057 9.850 1.00 0.43 N ATOM 124 CA GLU A 8 1.557 -10.069 8.930 1.00 0.43 C ATOM 125 C GLU A 8 1.199 -9.371 7.623 1.00 0.37 C ATOM 126 O GLU A 8 2.046 -8.733 6.999 1.00 0.39 O ATOM 127 CB GLU A 8 2.002 -11.504 8.646 1.00 0.47 C ATOM 128 CG GLU A 8 2.334 -12.297 9.899 1.00 0.52 C ATOM 129 CD GLU A 8 2.687 -13.739 9.598 1.00 1.03 C ATOM 130 OE1 GLU A 8 3.873 -14.016 9.321 1.00 1.80 O ATOM 131 OE2 GLU A 8 1.778 -14.595 9.643 1.00 0.95 O ATOM 0 H GLU A 8 0.117 -10.981 10.155 1.00 0.43 H new ATOM 0 HA GLU A 8 2.379 -9.530 9.401 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.212 -12.019 8.099 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.878 -11.482 7.997 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.169 -11.822 10.415 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.482 -12.269 10.579 1.00 0.52 H new ATOM 138 N GLN A 9 -0.058 -9.502 7.213 1.00 0.34 N ATOM 139 CA GLN A 9 -0.524 -8.877 5.984 1.00 0.33 C ATOM 140 C GLN A 9 -0.497 -7.359 6.122 1.00 0.30 C ATOM 141 O GLN A 9 -0.320 -6.635 5.141 1.00 0.32 O ATOM 142 CB GLN A 9 -1.941 -9.352 5.657 1.00 0.36 C ATOM 143 CG GLN A 9 -2.312 -9.188 4.193 1.00 0.38 C ATOM 144 CD GLN A 9 -3.704 -9.707 3.887 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.351 -9.113 2.892 1.00 1.44 O flip ATOM 146 NE2 GLN A 9 -4.189 -10.634 4.534 1.00 0.50 N flip ATOM 0 H GLN A 9 -0.770 -10.034 7.713 1.00 0.34 H new ATOM 0 HA GLN A 9 0.140 -9.166 5.170 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.036 -10.402 5.932 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.652 -8.796 6.268 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -2.253 -8.134 3.922 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.586 -9.717 3.576 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.656 -11.061 5.291 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.125 -10.975 4.313 1.00 0.50 H new ATOM 155 N GLN A 10 -0.672 -6.888 7.353 1.00 0.27 N ATOM 156 CA GLN A 10 -0.664 -5.459 7.642 1.00 0.25 C ATOM 157 C GLN A 10 0.764 -4.933 7.737 1.00 0.23 C ATOM 158 O GLN A 10 1.085 -3.882 7.183 1.00 0.26 O ATOM 159 CB GLN A 10 -1.411 -5.181 8.949 1.00 0.26 C ATOM 160 CG GLN A 10 -1.620 -3.701 9.228 1.00 0.26 C ATOM 161 CD GLN A 10 -2.211 -3.445 10.601 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.994 -4.216 11.536 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.959 -2.356 10.731 1.00 0.89 N ATOM 0 H GLN A 10 -0.822 -7.480 8.170 1.00 0.27 H new ATOM 0 HA GLN A 10 -1.168 -4.943 6.825 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.381 -5.676 8.916 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.856 -5.623 9.776 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.666 -3.181 9.144 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.280 -3.281 8.468 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.113 -1.744 9.929 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.380 -2.131 11.633 1.00 0.89 H new ATOM 172 N ASN A 11 1.614 -5.672 8.440 1.00 0.24 N ATOM 173 CA ASN A 11 3.007 -5.281 8.609 1.00 0.23 C ATOM 174 C ASN A 11 3.720 -5.224 7.262 1.00 0.21 C ATOM 175 O ASN A 11 4.482 -4.298 6.994 1.00 0.22 O ATOM 176 CB ASN A 11 3.724 -6.258 9.541 1.00 0.27 C ATOM 177 CG ASN A 11 3.066 -6.343 10.905 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.475 -5.375 11.383 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.165 -7.506 11.539 1.00 0.82 N ATOM 0 H ASN A 11 1.362 -6.546 8.902 1.00 0.24 H new ATOM 0 HA ASN A 11 3.030 -4.286 9.054 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.738 -7.248 9.085 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.762 -5.947 9.660 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.742 -7.623 12.460 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.664 -8.282 11.105 1.00 0.82 H new ATOM 186 N ALA A 12 3.464 -6.220 6.420 1.00 0.19 N ATOM 187 CA ALA A 12 4.079 -6.282 5.098 1.00 0.18 C ATOM 188 C ALA A 12 3.805 -5.007 4.305 1.00 0.15 C ATOM 189 O ALA A 12 4.710 -4.433 3.702 1.00 0.20 O ATOM 190 CB ALA A 12 3.571 -7.500 4.340 1.00 0.22 C ATOM 0 H ALA A 12 2.835 -6.995 6.629 1.00 0.19 H new ATOM 0 HA ALA A 12 5.158 -6.371 5.227 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.037 -7.536 3.355 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.823 -8.404 4.894 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.489 -7.433 4.227 1.00 0.22 H new ATOM 196 N PHE A 13 2.549 -4.575 4.318 1.00 0.13 N ATOM 197 CA PHE A 13 2.136 -3.365 3.611 1.00 0.11 C ATOM 198 C PHE A 13 2.998 -2.171 4.016 1.00 0.11 C ATOM 199 O PHE A 13 3.663 -1.561 3.180 1.00 0.15 O ATOM 200 CB PHE A 13 0.660 -3.080 3.910 1.00 0.14 C ATOM 201 CG PHE A 13 0.170 -1.747 3.417 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.348 -1.613 2.138 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.215 -0.631 4.239 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.809 -0.391 1.688 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.243 0.592 3.793 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.757 0.713 2.517 1.00 0.11 C ATOM 0 H PHE A 13 1.793 -5.048 4.814 1.00 0.13 H new ATOM 0 HA PHE A 13 2.267 -3.523 2.541 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.053 -3.865 3.459 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.504 -3.135 4.987 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.392 -2.473 1.486 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.613 -0.720 5.239 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.210 -0.299 0.689 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.199 1.454 4.442 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.118 1.669 2.168 1.00 0.11 H new ATOM 216 N TYR A 14 2.984 -1.853 5.306 1.00 0.11 N ATOM 217 CA TYR A 14 3.751 -0.730 5.833 1.00 0.13 C ATOM 218 C TYR A 14 5.238 -0.848 5.503 1.00 0.13 C ATOM 219 O TYR A 14 5.836 0.089 4.977 1.00 0.17 O ATOM 220 CB TYR A 14 3.561 -0.634 7.347 1.00 0.16 C ATOM 221 CG TYR A 14 2.170 -0.206 7.760 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.669 1.037 7.393 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.364 -1.037 8.529 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.404 1.439 7.782 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.099 -0.643 8.917 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.376 0.595 8.544 1.00 0.33 C ATOM 227 OH TYR A 14 -1.632 0.993 8.935 1.00 0.42 O ATOM 0 H TYR A 14 2.447 -2.360 6.009 1.00 0.11 H new ATOM 0 HA TYR A 14 3.378 0.176 5.356 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.781 -1.604 7.794 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.284 0.074 7.751 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.277 1.700 6.795 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.733 -2.007 8.828 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.029 2.409 7.490 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.516 -1.303 9.511 1.00 0.32 H new ATOM 0 HH TYR A 14 -2.050 0.283 9.465 1.00 0.42 H new ATOM 237 N GLU A 15 5.828 -1.998 5.817 1.00 0.11 N ATOM 238 CA GLU A 15 7.247 -2.230 5.556 1.00 0.12 C ATOM 239 C GLU A 15 7.607 -1.900 4.109 1.00 0.12 C ATOM 240 O GLU A 15 8.711 -1.433 3.825 1.00 0.19 O ATOM 241 CB GLU A 15 7.611 -3.683 5.868 1.00 0.13 C ATOM 242 CG GLU A 15 7.531 -4.024 7.346 1.00 0.19 C ATOM 243 CD GLU A 15 7.867 -5.475 7.628 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.064 -5.786 7.802 1.00 1.08 O ATOM 245 OE2 GLU A 15 6.931 -6.302 7.676 1.00 2.16 O ATOM 0 H GLU A 15 5.346 -2.784 6.253 1.00 0.11 H new ATOM 0 HA GLU A 15 7.819 -1.568 6.206 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.944 -4.343 5.314 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.622 -3.880 5.512 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.215 -3.382 7.901 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.526 -3.810 7.711 1.00 0.19 H new ATOM 252 N ILE A 16 6.669 -2.142 3.199 1.00 0.10 N ATOM 253 CA ILE A 16 6.886 -1.863 1.785 1.00 0.09 C ATOM 254 C ILE A 16 6.877 -0.358 1.519 1.00 0.12 C ATOM 255 O ILE A 16 7.596 0.134 0.650 1.00 0.16 O ATOM 256 CB ILE A 16 5.819 -2.559 0.912 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.014 -4.077 0.960 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.880 -2.057 -0.524 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.889 -4.860 0.315 1.00 0.14 C ATOM 0 H ILE A 16 5.751 -2.531 3.416 1.00 0.10 H new ATOM 0 HA ILE A 16 7.865 -2.260 1.518 1.00 0.09 H new ATOM 0 HB ILE A 16 4.834 -2.317 1.310 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.951 -4.329 0.463 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.111 -4.389 2.000 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.119 -2.562 -1.119 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.700 -0.982 -0.542 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.865 -2.267 -0.941 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.099 -5.927 0.389 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.952 -4.639 0.826 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.805 -4.579 -0.735 1.00 0.14 H new ATOM 271 N LEU A 17 6.059 0.364 2.279 1.00 0.14 N ATOM 272 CA LEU A 17 5.957 1.813 2.139 1.00 0.19 C ATOM 273 C LEU A 17 7.197 2.509 2.699 1.00 0.18 C ATOM 274 O LEU A 17 7.662 3.509 2.153 1.00 0.26 O ATOM 275 CB LEU A 17 4.716 2.330 2.868 1.00 0.27 C ATOM 276 CG LEU A 17 3.441 2.377 2.029 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.764 1.017 1.997 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.499 3.439 2.571 1.00 0.77 C ATOM 0 H LEU A 17 5.456 -0.032 3.000 1.00 0.14 H new ATOM 0 HA LEU A 17 5.878 2.039 1.076 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.536 1.699 3.738 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.924 3.333 3.240 1.00 0.27 H new ATOM 0 HG LEU A 17 3.708 2.639 1.005 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.858 1.076 1.393 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.443 0.283 1.563 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.505 0.716 3.012 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.593 3.465 1.966 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.240 3.203 3.603 1.00 0.77 H new ATOM 0 HD23 LEU A 17 2.988 4.412 2.533 1.00 0.77 H new ATOM 290 N HIS A 18 7.724 1.969 3.798 1.00 0.16 N ATOM 291 CA HIS A 18 8.899 2.538 4.456 1.00 0.16 C ATOM 292 C HIS A 18 10.134 2.506 3.558 1.00 0.13 C ATOM 293 O HIS A 18 11.060 3.295 3.745 1.00 0.15 O ATOM 294 CB HIS A 18 9.182 1.794 5.763 1.00 0.17 C ATOM 295 CG HIS A 18 8.272 2.188 6.885 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.732 2.666 8.095 1.00 0.58 N ATOM 297 CD2 HIS A 18 6.921 2.177 6.977 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.704 2.927 8.883 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.595 2.641 8.227 1.00 0.33 N ATOM 0 H HIS A 18 7.353 1.135 4.253 1.00 0.16 H new ATOM 0 HA HIS A 18 8.678 3.583 4.671 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.088 0.722 5.589 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.214 1.979 6.061 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.229 1.862 6.210 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.761 3.309 9.892 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.648 2.748 8.590 1.00 0.33 H new ATOM 308 N LEU A 19 10.150 1.592 2.590 1.00 0.14 N ATOM 309 CA LEU A 19 11.282 1.477 1.674 1.00 0.14 C ATOM 310 C LEU A 19 11.576 2.824 1.011 1.00 0.16 C ATOM 311 O LEU A 19 10.764 3.328 0.234 1.00 0.18 O ATOM 312 CB LEU A 19 10.996 0.412 0.611 1.00 0.12 C ATOM 313 CG LEU A 19 10.811 -1.008 1.153 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.407 -1.957 0.037 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.085 -1.494 1.829 1.00 0.12 C ATOM 0 H LEU A 19 9.397 0.925 2.420 1.00 0.14 H new ATOM 0 HA LEU A 19 12.160 1.176 2.245 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.096 0.697 0.065 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.816 0.407 -0.107 1.00 0.12 H new ATOM 0 HG LEU A 19 10.013 -0.989 1.896 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.280 -2.961 0.441 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.468 -1.622 -0.403 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.183 -1.969 -0.729 1.00 0.13 H new ATOM 0 HD21 LEU A 19 11.933 -2.505 2.207 1.00 0.12 H new ATOM 0 HD22 LEU A 19 12.902 -1.496 1.107 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.334 -0.830 2.657 1.00 0.12 H new ATOM 327 N PRO A 20 12.747 3.429 1.307 1.00 0.18 N ATOM 328 CA PRO A 20 13.124 4.731 0.753 1.00 0.21 C ATOM 329 C PRO A 20 13.703 4.639 -0.656 1.00 0.21 C ATOM 330 O PRO A 20 13.294 5.378 -1.552 1.00 0.23 O ATOM 331 CB PRO A 20 14.187 5.219 1.733 1.00 0.24 C ATOM 332 CG PRO A 20 14.849 3.974 2.219 1.00 0.22 C ATOM 333 CD PRO A 20 13.796 2.892 2.200 1.00 0.19 C ATOM 0 HA PRO A 20 12.264 5.393 0.651 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.901 5.883 1.246 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.741 5.778 2.556 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.691 3.707 1.580 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.245 4.113 3.225 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.197 1.951 1.824 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.407 2.696 3.199 1.00 0.19 H new ATOM 341 N ASN A 21 14.652 3.729 -0.850 1.00 0.20 N ATOM 342 CA ASN A 21 15.287 3.556 -2.151 1.00 0.21 C ATOM 343 C ASN A 21 14.273 3.096 -3.192 1.00 0.20 C ATOM 344 O ASN A 21 14.424 3.374 -4.381 1.00 0.23 O ATOM 345 CB ASN A 21 16.437 2.552 -2.053 1.00 0.21 C ATOM 346 CG ASN A 21 17.518 3.006 -1.094 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.768 4.202 -0.940 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.168 2.051 -0.439 1.00 0.26 N ATOM 0 H ASN A 21 14.998 3.101 -0.124 1.00 0.20 H new ATOM 0 HA ASN A 21 15.688 4.520 -2.465 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.047 1.588 -1.727 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.871 2.403 -3.042 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.906 2.297 0.221 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.929 1.072 -0.596 1.00 0.26 H new ATOM 355 N LEU A 22 13.238 2.398 -2.735 1.00 0.18 N ATOM 356 CA LEU A 22 12.198 1.909 -3.630 1.00 0.17 C ATOM 357 C LEU A 22 11.307 3.060 -4.076 1.00 0.20 C ATOM 358 O LEU A 22 11.028 3.974 -3.299 1.00 0.26 O ATOM 359 CB LEU A 22 11.350 0.843 -2.931 1.00 0.17 C ATOM 360 CG LEU A 22 10.590 -0.096 -3.869 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.497 -1.218 -4.346 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.357 -0.659 -3.177 1.00 0.26 C ATOM 0 H LEU A 22 13.098 2.159 -1.753 1.00 0.18 H new ATOM 0 HA LEU A 22 12.675 1.465 -4.504 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.000 0.246 -2.291 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.632 1.341 -2.280 1.00 0.17 H new ATOM 0 HG LEU A 22 10.263 0.474 -4.739 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.941 -1.877 -5.012 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.348 -0.796 -4.880 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.854 -1.787 -3.488 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.829 -1.325 -3.860 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.660 -1.215 -2.290 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.698 0.159 -2.886 1.00 0.26 H new ATOM 374 N ASN A 23 10.861 3.016 -5.325 1.00 0.22 N ATOM 375 CA ASN A 23 10.002 4.069 -5.852 1.00 0.27 C ATOM 376 C ASN A 23 8.546 3.621 -5.889 1.00 0.24 C ATOM 377 O ASN A 23 8.205 2.544 -5.401 1.00 0.29 O ATOM 378 CB ASN A 23 10.452 4.496 -7.250 1.00 0.33 C ATOM 379 CG ASN A 23 10.635 3.318 -8.187 1.00 0.75 C ATOM 380 OD1 ASN A 23 9.985 2.286 -8.038 1.00 1.59 O ATOM 381 ND2 ASN A 23 11.526 3.469 -9.161 1.00 1.33 N ATOM 0 H ASN A 23 11.077 2.270 -5.987 1.00 0.22 H new ATOM 0 HA ASN A 23 10.086 4.925 -5.182 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.716 5.180 -7.672 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.391 5.045 -7.174 1.00 0.33 H new ATOM 0 HD21 ASN A 23 11.692 2.710 -9.822 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.044 4.344 -9.248 1.00 1.33 H new ATOM 388 N GLU A 24 7.698 4.454 -6.473 1.00 0.29 N ATOM 389 CA GLU A 24 6.275 4.155 -6.571 1.00 0.29 C ATOM 390 C GLU A 24 5.996 3.089 -7.630 1.00 0.24 C ATOM 391 O GLU A 24 5.150 2.221 -7.437 1.00 0.22 O ATOM 392 CB GLU A 24 5.503 5.426 -6.898 1.00 0.36 C ATOM 393 CG GLU A 24 5.978 6.080 -8.172 1.00 1.23 C ATOM 394 CD GLU A 24 5.682 7.566 -8.218 1.00 1.42 C ATOM 395 OE1 GLU A 24 6.499 8.351 -7.691 1.00 1.25 O ATOM 396 OE2 GLU A 24 4.635 7.946 -8.782 1.00 2.17 O ATOM 0 H GLU A 24 7.970 5.345 -6.888 1.00 0.29 H new ATOM 0 HA GLU A 24 5.947 3.763 -5.608 1.00 0.29 H new ATOM 0 HB2 GLU A 24 4.443 5.190 -6.988 1.00 0.36 H new ATOM 0 HB3 GLU A 24 5.604 6.131 -6.073 1.00 0.36 H new ATOM 0 HG2 GLU A 24 7.052 5.925 -8.275 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.502 5.593 -9.024 1.00 1.23 H new ATOM 403 N GLU A 25 6.715 3.158 -8.745 1.00 0.27 N ATOM 404 CA GLU A 25 6.529 2.201 -9.834 1.00 0.28 C ATOM 405 C GLU A 25 6.726 0.767 -9.354 1.00 0.24 C ATOM 406 O GLU A 25 5.967 -0.130 -9.720 1.00 0.30 O ATOM 407 CB GLU A 25 7.499 2.504 -10.977 1.00 0.36 C ATOM 408 CG GLU A 25 7.374 3.917 -11.527 1.00 0.91 C ATOM 409 CD GLU A 25 6.003 4.195 -12.113 1.00 1.60 C ATOM 410 OE1 GLU A 25 5.788 3.878 -13.302 1.00 2.00 O ATOM 411 OE2 GLU A 25 5.144 4.731 -11.382 1.00 2.20 O ATOM 0 H GLU A 25 7.430 3.864 -8.920 1.00 0.27 H new ATOM 0 HA GLU A 25 5.505 2.302 -10.193 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.519 2.349 -10.626 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.328 1.793 -11.785 1.00 0.36 H new ATOM 0 HG2 GLU A 25 7.576 4.632 -10.730 1.00 0.91 H new ATOM 0 HG3 GLU A 25 8.132 4.072 -12.295 1.00 0.91 H new ATOM 418 N GLN A 26 7.749 0.559 -8.533 1.00 0.18 N ATOM 419 CA GLN A 26 8.051 -0.766 -8.004 1.00 0.15 C ATOM 420 C GLN A 26 7.135 -1.104 -6.835 1.00 0.13 C ATOM 421 O GLN A 26 6.539 -2.179 -6.793 1.00 0.16 O ATOM 422 CB GLN A 26 9.517 -0.834 -7.569 1.00 0.15 C ATOM 423 CG GLN A 26 10.487 -0.607 -8.717 1.00 0.19 C ATOM 424 CD GLN A 26 11.915 -0.419 -8.263 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.091 0.135 -7.076 1.00 2.00 O flip ATOM 426 NE2 GLN A 26 12.855 -0.770 -8.976 1.00 1.59 N flip ATOM 0 H GLN A 26 8.384 1.292 -8.219 1.00 0.18 H new ATOM 0 HA GLN A 26 7.880 -1.500 -8.791 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.696 -0.087 -6.796 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.713 -1.809 -7.122 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.438 -1.457 -9.398 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.173 0.272 -9.280 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.674 -1.194 -9.886 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.815 -0.637 -8.657 1.00 1.59 H new ATOM 435 N ARG A 27 7.027 -0.174 -5.894 1.00 0.13 N ATOM 436 CA ARG A 27 6.183 -0.361 -4.719 1.00 0.13 C ATOM 437 C ARG A 27 4.754 -0.725 -5.119 1.00 0.14 C ATOM 438 O ARG A 27 4.117 -1.566 -4.484 1.00 0.23 O ATOM 439 CB ARG A 27 6.177 0.910 -3.870 1.00 0.14 C ATOM 440 CG ARG A 27 5.420 0.765 -2.563 1.00 0.18 C ATOM 441 CD ARG A 27 4.477 1.933 -2.335 1.00 0.41 C ATOM 442 NE ARG A 27 3.311 1.869 -3.212 1.00 1.59 N ATOM 443 CZ ARG A 27 2.496 2.893 -3.437 1.00 1.94 C ATOM 444 NH1 ARG A 27 2.754 4.079 -2.907 1.00 1.37 N ATOM 445 NH2 ARG A 27 1.425 2.734 -4.204 1.00 3.04 N ATOM 0 H ARG A 27 7.515 0.721 -5.922 1.00 0.13 H new ATOM 0 HA ARG A 27 6.594 -1.184 -4.135 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.206 1.197 -3.654 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.734 1.721 -4.448 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.853 -0.166 -2.571 1.00 0.18 H new ATOM 0 HG3 ARG A 27 6.128 0.700 -1.736 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.150 1.938 -1.295 1.00 0.41 H new ATOM 0 HD3 ARG A 27 5.009 2.869 -2.506 1.00 0.41 H new ATOM 0 HE ARG A 27 3.111 0.985 -3.680 1.00 1.59 H new ATOM 0 HH11 ARG A 27 3.581 4.208 -2.324 1.00 1.37 H new ATOM 0 HH12 ARG A 27 2.126 4.863 -3.082 1.00 1.37 H new ATOM 0 HH21 ARG A 27 1.227 1.825 -4.621 1.00 3.04 H new ATOM 0 HH22 ARG A 27 0.800 3.521 -4.376 1.00 3.04 H new ATOM 459 N ASN A 28 4.260 -0.085 -6.174 1.00 0.13 N ATOM 460 CA ASN A 28 2.908 -0.338 -6.664 1.00 0.15 C ATOM 461 C ASN A 28 2.730 -1.802 -7.050 1.00 0.15 C ATOM 462 O ASN A 28 1.705 -2.410 -6.750 1.00 0.21 O ATOM 463 CB ASN A 28 2.596 0.553 -7.871 1.00 0.19 C ATOM 464 CG ASN A 28 2.176 1.953 -7.473 1.00 0.20 C ATOM 465 OD1 ASN A 28 2.807 2.488 -6.436 1.00 0.26 O flip ATOM 466 ND2 ASN A 28 1.301 2.552 -8.098 1.00 0.19 N flip ATOM 0 H ASN A 28 4.776 0.614 -6.708 1.00 0.13 H new ATOM 0 HA ASN A 28 2.215 -0.103 -5.857 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.476 0.611 -8.512 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.802 0.094 -8.460 1.00 0.19 H new ATOM 0 HD21 ASN A 28 0.841 2.102 -8.890 1.00 0.19 H new ATOM 0 HD22 ASN A 28 1.036 3.498 -7.824 1.00 0.19 H new ATOM 473 N ALA A 29 3.734 -2.356 -7.721 1.00 0.12 N ATOM 474 CA ALA A 29 3.690 -3.746 -8.156 1.00 0.12 C ATOM 475 C ALA A 29 3.520 -4.692 -6.971 1.00 0.11 C ATOM 476 O ALA A 29 2.846 -5.716 -7.077 1.00 0.15 O ATOM 477 CB ALA A 29 4.948 -4.094 -8.935 1.00 0.15 C ATOM 0 H ALA A 29 4.589 -1.862 -7.976 1.00 0.12 H new ATOM 0 HA ALA A 29 2.825 -3.868 -8.808 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.902 -5.135 -9.254 1.00 0.15 H new ATOM 0 HB2 ALA A 29 5.024 -3.449 -9.811 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.822 -3.947 -8.300 1.00 0.15 H new ATOM 483 N PHE A 30 4.134 -4.343 -5.845 1.00 0.10 N ATOM 484 CA PHE A 30 4.048 -5.168 -4.645 1.00 0.10 C ATOM 485 C PHE A 30 2.663 -5.070 -4.014 1.00 0.12 C ATOM 486 O PHE A 30 2.016 -6.088 -3.768 1.00 0.18 O ATOM 487 CB PHE A 30 5.130 -4.760 -3.643 1.00 0.12 C ATOM 488 CG PHE A 30 6.520 -4.981 -4.166 1.00 0.12 C ATOM 489 CD1 PHE A 30 6.997 -6.265 -4.375 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.346 -3.908 -4.458 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.270 -6.475 -4.865 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.622 -4.111 -4.948 1.00 0.21 C ATOM 493 CZ PHE A 30 9.085 -5.397 -5.153 1.00 0.20 C ATOM 0 H PHE A 30 4.695 -3.498 -5.738 1.00 0.10 H new ATOM 0 HA PHE A 30 4.213 -6.207 -4.930 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.005 -3.707 -3.389 1.00 0.12 H new ATOM 0 HB3 PHE A 30 4.999 -5.328 -2.722 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.365 -7.112 -4.152 1.00 0.12 H new ATOM 0 HD2 PHE A 30 6.989 -2.901 -4.301 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.629 -7.481 -5.023 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.257 -3.266 -5.170 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.081 -5.559 -5.537 1.00 0.20 H new ATOM 503 N ILE A 31 2.212 -3.846 -3.749 1.00 0.10 N ATOM 504 CA ILE A 31 0.893 -3.634 -3.164 1.00 0.11 C ATOM 505 C ILE A 31 -0.180 -4.290 -4.031 1.00 0.11 C ATOM 506 O ILE A 31 -1.172 -4.814 -3.526 1.00 0.16 O ATOM 507 CB ILE A 31 0.579 -2.126 -3.006 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.498 -1.503 -1.950 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.886 -1.915 -2.638 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.299 -0.014 -1.763 1.00 0.13 C ATOM 0 H ILE A 31 2.738 -2.991 -3.929 1.00 0.10 H new ATOM 0 HA ILE A 31 0.894 -4.090 -2.174 1.00 0.11 H new ATOM 0 HB ILE A 31 0.761 -1.632 -3.960 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.331 -2.004 -0.997 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.535 -1.688 -2.230 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -1.085 -0.848 -2.532 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.521 -2.326 -3.423 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -1.101 -2.419 -1.696 1.00 0.13 H new ATOM 0 HD11 ILE A 31 1.986 0.352 -1.000 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.495 0.500 -2.704 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.273 0.180 -1.451 1.00 0.13 H new ATOM 522 N GLN A 32 0.041 -4.256 -5.342 1.00 0.08 N ATOM 523 CA GLN A 32 -0.882 -4.843 -6.303 1.00 0.09 C ATOM 524 C GLN A 32 -1.039 -6.345 -6.074 1.00 0.11 C ATOM 525 O GLN A 32 -2.153 -6.850 -5.935 1.00 0.19 O ATOM 526 CB GLN A 32 -0.373 -4.588 -7.722 1.00 0.11 C ATOM 527 CG GLN A 32 -1.476 -4.392 -8.744 1.00 0.15 C ATOM 528 CD GLN A 32 -0.935 -4.157 -10.142 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.646 -3.358 -10.927 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 0.116 -4.684 -10.509 1.00 1.04 N flip ATOM 0 H GLN A 32 0.862 -3.822 -5.765 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.858 -4.376 -6.170 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.264 -3.704 -7.716 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.250 -5.428 -8.031 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.122 -5.270 -8.750 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.094 -3.544 -8.449 1.00 0.15 H new ATOM 0 HE21 GLN A 32 0.631 -5.292 -9.872 1.00 1.04 H new ATOM 0 HE22 GLN A 32 0.471 -4.512 -11.450 1.00 1.04 H new ATOM 539 N SER A 33 0.087 -7.052 -6.037 1.00 0.09 N ATOM 540 CA SER A 33 0.079 -8.498 -5.839 1.00 0.11 C ATOM 541 C SER A 33 -0.210 -8.863 -4.384 1.00 0.10 C ATOM 542 O SER A 33 -0.514 -10.015 -4.076 1.00 0.15 O ATOM 543 CB SER A 33 1.418 -9.097 -6.270 1.00 0.13 C ATOM 544 OG SER A 33 1.428 -10.503 -6.097 1.00 1.19 O ATOM 0 H SER A 33 1.017 -6.647 -6.142 1.00 0.09 H new ATOM 0 HA SER A 33 -0.719 -8.913 -6.455 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.608 -8.855 -7.316 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.224 -8.650 -5.688 1.00 0.13 H new ATOM 0 HG SER A 33 0.721 -10.760 -5.469 1.00 1.19 H new ATOM 550 N LEU A 34 -0.112 -7.881 -3.494 1.00 0.10 N ATOM 551 CA LEU A 34 -0.366 -8.110 -2.074 1.00 0.11 C ATOM 552 C LEU A 34 -1.865 -8.152 -1.796 1.00 0.13 C ATOM 553 O LEU A 34 -2.333 -8.920 -0.957 1.00 0.18 O ATOM 554 CB LEU A 34 0.282 -7.005 -1.234 1.00 0.10 C ATOM 555 CG LEU A 34 0.904 -7.458 0.091 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.516 -6.271 0.818 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.130 -8.147 0.972 1.00 0.17 C ATOM 0 H LEU A 34 0.141 -6.921 -3.729 1.00 0.10 H new ATOM 0 HA LEU A 34 0.070 -9.071 -1.801 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.056 -6.525 -1.833 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.471 -6.247 -1.020 1.00 0.10 H new ATOM 0 HG LEU A 34 1.692 -8.178 -0.130 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.954 -6.607 1.758 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.291 -5.823 0.196 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.742 -5.531 1.022 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.337 -8.459 1.906 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.944 -7.455 1.187 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.524 -9.021 0.454 1.00 0.17 H new ATOM 569 N LYS A 35 -2.608 -7.320 -2.515 1.00 0.15 N ATOM 570 CA LYS A 35 -4.053 -7.240 -2.349 1.00 0.19 C ATOM 571 C LYS A 35 -4.752 -8.449 -2.972 1.00 0.22 C ATOM 572 O LYS A 35 -5.725 -8.966 -2.421 1.00 0.31 O ATOM 573 CB LYS A 35 -4.574 -5.949 -2.981 1.00 0.23 C ATOM 574 CG LYS A 35 -6.061 -5.718 -2.780 1.00 0.23 C ATOM 575 CD LYS A 35 -6.391 -5.481 -1.317 1.00 0.24 C ATOM 576 CE LYS A 35 -7.859 -5.147 -1.127 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.737 -6.312 -1.426 1.00 0.46 N ATOM 0 H LYS A 35 -2.231 -6.688 -3.222 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.275 -7.239 -1.282 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -4.026 -5.105 -2.562 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.361 -5.968 -4.050 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.381 -4.859 -3.371 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.618 -6.581 -3.145 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.141 -6.370 -0.738 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.778 -4.666 -0.932 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -8.027 -4.820 -0.101 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.129 -4.313 -1.776 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.252 -6.140 -2.313 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.156 -7.169 -1.524 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.417 -6.442 -0.650 1.00 0.46 H new ATOM 591 N ASP A 36 -4.251 -8.894 -4.121 1.00 0.23 N ATOM 592 CA ASP A 36 -4.829 -10.039 -4.819 1.00 0.28 C ATOM 593 C ASP A 36 -4.260 -11.354 -4.292 1.00 0.25 C ATOM 594 O ASP A 36 -4.937 -12.383 -4.302 1.00 0.33 O ATOM 595 CB ASP A 36 -4.573 -9.929 -6.322 1.00 0.34 C ATOM 596 CG ASP A 36 -5.246 -8.719 -6.936 1.00 1.07 C ATOM 597 OD1 ASP A 36 -6.473 -8.775 -7.166 1.00 0.96 O ATOM 598 OD2 ASP A 36 -4.548 -7.715 -7.188 1.00 2.07 O ATOM 0 H ASP A 36 -3.445 -8.479 -4.589 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.903 -10.033 -4.635 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -3.499 -9.874 -6.502 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.933 -10.831 -6.816 1.00 0.34 H new ATOM 603 N ASP A 37 -3.013 -11.311 -3.834 1.00 0.20 N ATOM 604 CA ASP A 37 -2.350 -12.497 -3.304 1.00 0.22 C ATOM 605 C ASP A 37 -1.690 -12.193 -1.960 1.00 0.18 C ATOM 606 O ASP A 37 -0.469 -12.069 -1.872 1.00 0.16 O ATOM 607 CB ASP A 37 -1.305 -13.011 -4.299 1.00 0.27 C ATOM 608 CG ASP A 37 -1.908 -13.358 -5.647 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.440 -14.479 -5.788 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.846 -12.509 -6.561 1.00 1.29 O ATOM 0 H ASP A 37 -2.441 -10.467 -3.819 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.103 -13.270 -3.152 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.533 -12.253 -4.434 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.817 -13.893 -3.885 1.00 0.27 H new ATOM 615 N PRO A 38 -2.499 -12.064 -0.892 1.00 0.21 N ATOM 616 CA PRO A 38 -1.994 -11.771 0.456 1.00 0.21 C ATOM 617 C PRO A 38 -1.050 -12.848 0.977 1.00 0.21 C ATOM 618 O PRO A 38 -0.302 -12.622 1.928 1.00 0.23 O ATOM 619 CB PRO A 38 -3.264 -11.710 1.315 1.00 0.27 C ATOM 620 CG PRO A 38 -4.296 -12.445 0.531 1.00 0.30 C ATOM 621 CD PRO A 38 -3.966 -12.190 -0.910 1.00 0.26 C ATOM 0 HA PRO A 38 -1.408 -10.852 0.473 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.104 -12.173 2.289 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.567 -10.679 1.498 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.273 -13.511 0.756 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.298 -12.090 0.772 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.294 -13.009 -1.551 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.445 -11.284 -1.280 1.00 0.26 H new ATOM 629 N SER A 39 -1.087 -14.021 0.351 1.00 0.21 N ATOM 630 CA SER A 39 -0.225 -15.127 0.756 1.00 0.23 C ATOM 631 C SER A 39 1.232 -14.828 0.417 1.00 0.21 C ATOM 632 O SER A 39 2.149 -15.402 1.003 1.00 0.24 O ATOM 633 CB SER A 39 -0.666 -16.424 0.073 1.00 0.26 C ATOM 634 OG SER A 39 0.161 -17.509 0.457 1.00 1.37 O ATOM 0 H SER A 39 -1.702 -14.230 -0.436 1.00 0.21 H new ATOM 0 HA SER A 39 -0.312 -15.249 1.836 1.00 0.23 H new ATOM 0 HB2 SER A 39 -1.702 -16.642 0.334 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.629 -16.300 -1.009 1.00 0.26 H new ATOM 0 HG SER A 39 -0.142 -18.326 0.009 1.00 1.37 H new ATOM 640 N GLN A 40 1.432 -13.923 -0.537 1.00 0.19 N ATOM 641 CA GLN A 40 2.771 -13.534 -0.963 1.00 0.18 C ATOM 642 C GLN A 40 3.280 -12.356 -0.138 1.00 0.16 C ATOM 643 O GLN A 40 4.374 -11.850 -0.376 1.00 0.16 O ATOM 644 CB GLN A 40 2.773 -13.169 -2.449 1.00 0.21 C ATOM 645 CG GLN A 40 2.252 -14.277 -3.348 1.00 0.27 C ATOM 646 CD GLN A 40 3.106 -15.529 -3.286 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.053 -15.687 -4.057 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.774 -16.425 -2.365 1.00 0.69 N ATOM 0 H GLN A 40 0.679 -13.444 -1.031 1.00 0.19 H new ATOM 0 HA GLN A 40 3.437 -14.383 -0.805 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.164 -12.277 -2.596 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.789 -12.915 -2.751 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.230 -14.524 -3.059 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.214 -13.918 -4.376 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.981 -16.252 -1.747 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.312 -17.287 -2.275 1.00 0.69 H new ATOM 657 N SER A 41 2.471 -11.918 0.823 1.00 0.17 N ATOM 658 CA SER A 41 2.827 -10.794 1.688 1.00 0.20 C ATOM 659 C SER A 41 4.266 -10.902 2.182 1.00 0.20 C ATOM 660 O SER A 41 4.932 -9.891 2.399 1.00 0.25 O ATOM 661 CB SER A 41 1.878 -10.725 2.883 1.00 0.23 C ATOM 662 OG SER A 41 1.851 -11.954 3.588 1.00 1.10 O ATOM 0 H SER A 41 1.558 -12.327 1.024 1.00 0.17 H new ATOM 0 HA SER A 41 2.737 -9.882 1.097 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.191 -9.925 3.554 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.874 -10.478 2.539 1.00 0.23 H new ATOM 0 HG SER A 41 1.140 -12.523 3.226 1.00 1.10 H new ATOM 668 N ALA A 42 4.738 -12.131 2.362 1.00 0.18 N ATOM 669 CA ALA A 42 6.099 -12.366 2.830 1.00 0.20 C ATOM 670 C ALA A 42 7.088 -12.383 1.669 1.00 0.17 C ATOM 671 O ALA A 42 8.234 -11.959 1.812 1.00 0.18 O ATOM 672 CB ALA A 42 6.171 -13.674 3.603 1.00 0.24 C ATOM 0 H ALA A 42 4.198 -12.979 2.191 1.00 0.18 H new ATOM 0 HA ALA A 42 6.373 -11.546 3.493 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.192 -13.838 3.947 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.502 -13.626 4.462 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.870 -14.497 2.955 1.00 0.24 H new ATOM 678 N ASN A 43 6.635 -12.875 0.520 1.00 0.16 N ATOM 679 CA ASN A 43 7.480 -12.947 -0.667 1.00 0.16 C ATOM 680 C ASN A 43 7.713 -11.558 -1.250 1.00 0.13 C ATOM 681 O ASN A 43 8.850 -11.099 -1.347 1.00 0.14 O ATOM 682 CB ASN A 43 6.838 -13.851 -1.723 1.00 0.18 C ATOM 683 CG ASN A 43 6.893 -15.322 -1.351 1.00 0.21 C ATOM 684 OD1 ASN A 43 6.854 -15.615 -0.057 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 6.969 -16.189 -2.223 1.00 0.71 N flip ATOM 0 H ASN A 43 5.688 -13.230 0.386 1.00 0.16 H new ATOM 0 HA ASN A 43 8.442 -13.368 -0.373 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.798 -13.555 -1.864 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.344 -13.703 -2.677 1.00 0.18 H new ATOM 0 HD21 ASN A 43 6.997 -15.922 -3.207 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.004 -17.174 -1.961 1.00 0.71 H new ATOM 692 N LEU A 44 6.626 -10.900 -1.639 1.00 0.13 N ATOM 693 CA LEU A 44 6.696 -9.560 -2.207 1.00 0.12 C ATOM 694 C LEU A 44 7.509 -8.637 -1.309 1.00 0.11 C ATOM 695 O LEU A 44 8.211 -7.748 -1.788 1.00 0.12 O ATOM 696 CB LEU A 44 5.287 -9.002 -2.402 1.00 0.12 C ATOM 697 CG LEU A 44 4.407 -9.808 -3.357 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.943 -9.453 -3.161 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.828 -9.565 -4.799 1.00 0.23 C ATOM 0 H LEU A 44 5.681 -11.277 -1.570 1.00 0.13 H new ATOM 0 HA LEU A 44 7.192 -9.619 -3.176 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.794 -8.951 -1.431 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.364 -7.981 -2.775 1.00 0.12 H new ATOM 0 HG LEU A 44 4.535 -10.867 -3.134 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.332 -10.037 -3.849 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.649 -9.676 -2.136 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.797 -8.391 -3.357 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.192 -10.146 -5.467 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.728 -8.505 -5.034 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.866 -9.869 -4.931 1.00 0.23 H new ATOM 711 N LEU A 45 7.406 -8.858 -0.003 1.00 0.12 N ATOM 712 CA LEU A 45 8.144 -8.059 0.968 1.00 0.13 C ATOM 713 C LEU A 45 9.640 -8.262 0.777 1.00 0.13 C ATOM 714 O LEU A 45 10.392 -7.307 0.589 1.00 0.15 O ATOM 715 CB LEU A 45 7.754 -8.466 2.389 1.00 0.15 C ATOM 716 CG LEU A 45 7.336 -7.324 3.317 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.105 -7.851 4.723 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.386 -6.223 3.332 1.00 0.14 C ATOM 0 H LEU A 45 6.819 -9.584 0.407 1.00 0.12 H new ATOM 0 HA LEU A 45 7.898 -7.008 0.815 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.933 -9.180 2.330 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.597 -8.987 2.842 1.00 0.15 H new ATOM 0 HG LEU A 45 6.405 -6.900 2.940 1.00 0.14 H new ATOM 0 HD11 LEU A 45 6.808 -7.030 5.375 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.316 -8.603 4.705 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.025 -8.299 5.099 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.065 -5.423 3.999 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.334 -6.630 3.683 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.512 -5.827 2.324 1.00 0.14 H new ATOM 730 N ALA A 46 10.055 -9.523 0.831 1.00 0.14 N ATOM 731 CA ALA A 46 11.456 -9.889 0.664 1.00 0.15 C ATOM 732 C ALA A 46 12.008 -9.371 -0.659 1.00 0.15 C ATOM 733 O ALA A 46 13.156 -8.935 -0.737 1.00 0.20 O ATOM 734 CB ALA A 46 11.602 -11.400 0.739 1.00 0.16 C ATOM 0 H ALA A 46 9.433 -10.316 0.991 1.00 0.14 H new ATOM 0 HA ALA A 46 12.030 -9.429 1.468 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.650 -11.671 0.614 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.250 -11.752 1.709 1.00 0.16 H new ATOM 0 HB3 ALA A 46 11.011 -11.862 -0.052 1.00 0.16 H new ATOM 740 N GLU A 47 11.182 -9.425 -1.698 1.00 0.13 N ATOM 741 CA GLU A 47 11.578 -8.962 -3.021 1.00 0.15 C ATOM 742 C GLU A 47 11.654 -7.443 -3.062 1.00 0.13 C ATOM 743 O GLU A 47 12.468 -6.871 -3.787 1.00 0.17 O ATOM 744 CB GLU A 47 10.593 -9.469 -4.073 1.00 0.18 C ATOM 745 CG GLU A 47 10.838 -10.912 -4.478 1.00 0.28 C ATOM 746 CD GLU A 47 12.083 -11.074 -5.329 1.00 1.24 C ATOM 747 OE1 GLU A 47 12.005 -10.824 -6.550 1.00 1.09 O ATOM 748 OE2 GLU A 47 13.136 -11.451 -4.774 1.00 2.19 O ATOM 0 H GLU A 47 10.230 -9.787 -1.648 1.00 0.13 H new ATOM 0 HA GLU A 47 12.568 -9.360 -3.241 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.578 -9.375 -3.686 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.658 -8.835 -4.957 1.00 0.18 H new ATOM 0 HG2 GLU A 47 10.932 -11.526 -3.582 1.00 0.28 H new ATOM 0 HG3 GLU A 47 9.974 -11.283 -5.030 1.00 0.28 H new ATOM 755 N ALA A 48 10.800 -6.795 -2.278 1.00 0.10 N ATOM 756 CA ALA A 48 10.780 -5.340 -2.218 1.00 0.10 C ATOM 757 C ALA A 48 12.016 -4.832 -1.496 1.00 0.11 C ATOM 758 O ALA A 48 12.594 -3.812 -1.868 1.00 0.12 O ATOM 759 CB ALA A 48 9.516 -4.849 -1.529 1.00 0.11 C ATOM 0 H ALA A 48 10.115 -7.253 -1.677 1.00 0.10 H new ATOM 0 HA ALA A 48 10.784 -4.948 -3.235 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.520 -3.760 -1.494 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.643 -5.191 -2.084 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.478 -5.244 -0.514 1.00 0.11 H new ATOM 765 N LYS A 49 12.407 -5.552 -0.451 1.00 0.12 N ATOM 766 CA LYS A 49 13.592 -5.211 0.317 1.00 0.14 C ATOM 767 C LYS A 49 14.829 -5.535 -0.505 1.00 0.14 C ATOM 768 O LYS A 49 15.837 -4.831 -0.451 1.00 0.17 O ATOM 769 CB LYS A 49 13.605 -5.996 1.627 1.00 0.14 C ATOM 770 CG LYS A 49 12.403 -5.709 2.511 1.00 0.14 C ATOM 771 CD LYS A 49 12.432 -6.544 3.781 1.00 0.16 C ATOM 772 CE LYS A 49 11.921 -7.953 3.533 1.00 0.16 C ATOM 773 NZ LYS A 49 11.898 -8.766 4.781 1.00 0.21 N ATOM 0 H LYS A 49 11.915 -6.381 -0.117 1.00 0.12 H new ATOM 0 HA LYS A 49 13.585 -4.146 0.551 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.637 -7.062 1.403 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.516 -5.758 2.176 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.386 -4.651 2.771 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.486 -5.917 1.959 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.451 -6.588 4.166 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.823 -6.064 4.547 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.916 -7.906 3.113 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.553 -8.443 2.793 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.543 -9.720 4.567 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.860 -8.834 5.169 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.274 -8.313 5.479 1.00 0.21 H new ATOM 787 N LYS A 50 14.732 -6.621 -1.266 1.00 0.13 N ATOM 788 CA LYS A 50 15.814 -7.058 -2.134 1.00 0.16 C ATOM 789 C LYS A 50 15.995 -6.061 -3.272 1.00 0.16 C ATOM 790 O LYS A 50 17.088 -5.909 -3.819 1.00 0.22 O ATOM 791 CB LYS A 50 15.500 -8.446 -2.698 1.00 0.17 C ATOM 792 CG LYS A 50 16.526 -8.942 -3.706 1.00 0.52 C ATOM 793 CD LYS A 50 16.179 -10.326 -4.230 1.00 0.51 C ATOM 794 CE LYS A 50 16.331 -11.388 -3.152 1.00 1.36 C ATOM 795 NZ LYS A 50 15.996 -12.748 -3.656 1.00 2.10 N ATOM 0 H LYS A 50 13.905 -7.218 -1.297 1.00 0.13 H new ATOM 0 HA LYS A 50 16.737 -7.111 -1.557 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.439 -9.158 -1.875 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.519 -8.422 -3.173 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.585 -8.242 -4.539 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.511 -8.966 -3.240 1.00 0.52 H new ATOM 0 HD2 LYS A 50 15.154 -10.328 -4.602 1.00 0.51 H new ATOM 0 HD3 LYS A 50 16.825 -10.568 -5.074 1.00 0.51 H new ATOM 0 HE2 LYS A 50 17.355 -11.382 -2.779 1.00 1.36 H new ATOM 0 HE3 LYS A 50 15.684 -11.144 -2.309 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 16.113 -13.441 -2.889 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 15.011 -12.762 -3.988 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 16.630 -12.992 -4.443 1.00 2.10 H new ATOM 809 N LEU A 51 14.904 -5.387 -3.614 1.00 0.14 N ATOM 810 CA LEU A 51 14.904 -4.393 -4.678 1.00 0.15 C ATOM 811 C LEU A 51 15.363 -3.042 -4.149 1.00 0.15 C ATOM 812 O LEU A 51 16.095 -2.313 -4.817 1.00 0.18 O ATOM 813 CB LEU A 51 13.497 -4.276 -5.264 1.00 0.15 C ATOM 814 CG LEU A 51 13.348 -3.332 -6.459 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.409 -3.613 -7.514 1.00 0.23 C ATOM 816 CD2 LEU A 51 11.954 -3.468 -7.054 1.00 0.18 C ATOM 0 H LEU A 51 13.998 -5.514 -3.163 1.00 0.14 H new ATOM 0 HA LEU A 51 15.598 -4.709 -5.457 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.167 -5.270 -5.567 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.822 -3.942 -4.476 1.00 0.15 H new ATOM 0 HG LEU A 51 13.488 -2.309 -6.111 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.279 -2.928 -8.352 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.399 -3.473 -7.080 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.309 -4.640 -7.866 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.854 -2.793 -7.904 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.798 -4.495 -7.385 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.210 -3.213 -6.299 1.00 0.18 H new ATOM 828 N ASN A 52 14.921 -2.720 -2.940 1.00 0.15 N ATOM 829 CA ASN A 52 15.279 -1.464 -2.297 1.00 0.18 C ATOM 830 C ASN A 52 16.774 -1.431 -2.018 1.00 0.17 C ATOM 831 O ASN A 52 17.377 -0.364 -1.906 1.00 0.17 O ATOM 832 CB ASN A 52 14.496 -1.296 -0.992 1.00 0.26 C ATOM 833 CG ASN A 52 14.792 0.017 -0.294 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.131 1.024 -0.540 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.785 0.011 0.588 1.00 0.21 N ATOM 0 H ASN A 52 14.310 -3.317 -2.382 1.00 0.15 H new ATOM 0 HA ASN A 52 15.025 -0.641 -2.965 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.429 -1.357 -1.204 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.736 -2.121 -0.321 1.00 0.26 H new ATOM 0 HD21 ASN A 52 16.025 0.865 1.092 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.308 -0.847 0.762 1.00 0.21 H new ATOM 842 N ASP A 53 17.364 -2.616 -1.912 1.00 0.18 N ATOM 843 CA ASP A 53 18.789 -2.741 -1.655 1.00 0.20 C ATOM 844 C ASP A 53 19.571 -2.689 -2.963 1.00 0.22 C ATOM 845 O ASP A 53 20.774 -2.427 -2.971 1.00 0.25 O ATOM 846 CB ASP A 53 19.086 -4.050 -0.919 1.00 0.23 C ATOM 847 CG ASP A 53 20.537 -4.158 -0.493 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.369 -4.591 -1.319 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.843 -3.807 0.666 1.00 0.34 O ATOM 0 H ASP A 53 16.873 -3.506 -2.001 1.00 0.18 H new ATOM 0 HA ASP A 53 19.100 -1.907 -1.026 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.446 -4.122 -0.040 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.836 -4.892 -1.565 1.00 0.23 H new ATOM 854 N ALA A 54 18.874 -2.941 -4.067 1.00 0.22 N ATOM 855 CA ALA A 54 19.495 -2.926 -5.386 1.00 0.26 C ATOM 856 C ALA A 54 19.704 -1.500 -5.875 1.00 0.28 C ATOM 857 O ALA A 54 20.640 -1.219 -6.624 1.00 0.32 O ATOM 858 CB ALA A 54 18.645 -3.704 -6.380 1.00 0.27 C ATOM 0 H ALA A 54 17.877 -3.158 -4.073 1.00 0.22 H new ATOM 0 HA ALA A 54 20.471 -3.405 -5.306 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.121 -3.684 -7.360 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.547 -4.737 -6.045 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.657 -3.249 -6.448 1.00 0.27 H new ATOM 864 N GLN A 55 18.825 -0.602 -5.445 1.00 0.27 N ATOM 865 CA GLN A 55 18.904 0.798 -5.838 1.00 0.31 C ATOM 866 C GLN A 55 19.566 1.630 -4.745 1.00 0.33 C ATOM 867 O GLN A 55 19.716 2.845 -4.879 1.00 0.41 O ATOM 868 CB GLN A 55 17.504 1.335 -6.136 1.00 0.32 C ATOM 869 CG GLN A 55 16.710 0.452 -7.085 1.00 0.32 C ATOM 870 CD GLN A 55 15.346 1.023 -7.419 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.849 0.857 -8.531 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.728 1.691 -6.451 1.00 0.29 N ATOM 0 H GLN A 55 18.047 -0.821 -4.822 1.00 0.27 H new ATOM 0 HA GLN A 55 19.514 0.871 -6.739 1.00 0.31 H new ATOM 0 HB2 GLN A 55 16.955 1.436 -5.200 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.589 2.333 -6.565 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.277 0.315 -8.006 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.586 -0.534 -6.638 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.178 1.805 -5.543 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.804 2.090 -6.616 1.00 0.29 H new ATOM 881 N ALA A 56 19.960 0.965 -3.664 1.00 0.28 N ATOM 882 CA ALA A 56 20.609 1.632 -2.547 1.00 0.31 C ATOM 883 C ALA A 56 21.940 2.246 -2.976 1.00 0.39 C ATOM 884 O ALA A 56 22.649 1.683 -3.811 1.00 0.44 O ATOM 885 CB ALA A 56 20.823 0.652 -1.403 1.00 0.29 C ATOM 0 H ALA A 56 19.839 -0.040 -3.540 1.00 0.28 H new ATOM 0 HA ALA A 56 19.959 2.437 -2.205 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.310 1.163 -0.572 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.860 0.261 -1.074 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.453 -0.171 -1.742 1.00 0.29 H new ATOM 891 N PRO A 57 22.297 3.411 -2.407 1.00 0.45 N ATOM 892 CA PRO A 57 23.538 4.098 -2.730 1.00 0.54 C ATOM 893 C PRO A 57 24.701 3.645 -1.859 1.00 0.63 C ATOM 894 O PRO A 57 24.631 2.609 -1.198 1.00 0.83 O ATOM 895 CB PRO A 57 23.203 5.561 -2.452 1.00 0.68 C ATOM 896 CG PRO A 57 22.108 5.542 -1.428 1.00 0.61 C ATOM 897 CD PRO A 57 21.515 4.151 -1.408 1.00 0.47 C ATOM 0 HA PRO A 57 23.861 3.901 -3.752 1.00 0.54 H new ATOM 0 HB2 PRO A 57 24.076 6.098 -2.081 1.00 0.68 H new ATOM 0 HB3 PRO A 57 22.879 6.068 -3.361 1.00 0.68 H new ATOM 0 HG2 PRO A 57 22.500 5.804 -0.445 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.344 6.279 -1.673 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.599 3.697 -0.421 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.455 4.166 -1.663 1.00 0.47 H new ATOM 905 N LYS A 58 25.765 4.437 -1.862 1.00 0.75 N ATOM 906 CA LYS A 58 26.955 4.125 -1.078 1.00 0.91 C ATOM 907 C LYS A 58 26.971 4.918 0.226 1.00 1.37 C ATOM 908 O LYS A 58 27.493 6.052 0.222 1.00 1.85 O ATOM 909 CB LYS A 58 28.216 4.424 -1.891 1.00 1.12 C ATOM 910 CG LYS A 58 28.275 3.680 -3.215 1.00 2.01 C ATOM 911 CD LYS A 58 29.513 4.056 -4.011 1.00 2.90 C ATOM 912 CE LYS A 58 29.538 3.358 -5.361 1.00 3.59 C ATOM 913 NZ LYS A 58 29.563 1.876 -5.219 1.00 4.27 N ATOM 914 OXT LYS A 58 26.461 4.397 1.240 1.00 2.03 O ATOM 0 H LYS A 58 25.829 5.302 -2.399 1.00 0.75 H new ATOM 0 HA LYS A 58 26.933 3.063 -0.833 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.269 5.496 -2.083 1.00 1.12 H new ATOM 0 HB3 LYS A 58 29.092 4.163 -1.297 1.00 1.12 H new ATOM 0 HG2 LYS A 58 28.273 2.606 -3.030 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.383 3.905 -3.800 1.00 2.01 H new ATOM 0 HD2 LYS A 58 29.539 5.136 -4.158 1.00 2.90 H new ATOM 0 HD3 LYS A 58 30.406 3.789 -3.445 1.00 2.90 H new ATOM 0 HE2 LYS A 58 28.662 3.653 -5.938 1.00 3.59 H new ATOM 0 HE3 LYS A 58 30.414 3.684 -5.922 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 29.767 1.442 -6.142 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 30.301 1.605 -4.539 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 28.639 1.544 -4.877 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 12.082 8.209 1.425 1.00 3.48 N ATOM 930 CA VAL B 101 12.580 8.508 2.792 1.00 2.61 C ATOM 931 C VAL B 101 11.439 8.459 3.805 1.00 2.18 C ATOM 932 O VAL B 101 10.292 8.766 3.480 1.00 2.41 O ATOM 933 CB VAL B 101 13.248 9.897 2.852 1.00 2.67 C ATOM 934 CG1 VAL B 101 13.997 10.073 4.165 1.00 2.50 C ATOM 935 CG2 VAL B 101 14.184 10.094 1.668 1.00 3.29 C ATOM 0 HA VAL B 101 13.320 7.748 3.040 1.00 2.61 H new ATOM 0 HB VAL B 101 12.467 10.656 2.799 1.00 2.67 H new ATOM 0 HG11 VAL B 101 14.462 11.059 4.189 1.00 2.50 H new ATOM 0 HG12 VAL B 101 13.299 9.980 4.997 1.00 2.50 H new ATOM 0 HG13 VAL B 101 14.767 9.306 4.250 1.00 2.50 H new ATOM 0 HG21 VAL B 101 14.645 11.080 1.729 1.00 3.29 H new ATOM 0 HG22 VAL B 101 14.960 9.329 1.686 1.00 3.29 H new ATOM 0 HG23 VAL B 101 13.618 10.015 0.740 1.00 3.29 H new ATOM 947 N ASP B 102 11.764 8.069 5.034 1.00 1.82 N ATOM 948 CA ASP B 102 10.771 7.970 6.099 1.00 1.99 C ATOM 949 C ASP B 102 10.205 9.341 6.461 1.00 1.57 C ATOM 950 O ASP B 102 9.271 9.444 7.256 1.00 1.98 O ATOM 951 CB ASP B 102 11.388 7.318 7.338 1.00 2.35 C ATOM 952 CG ASP B 102 10.357 7.008 8.406 1.00 3.09 C ATOM 953 OD1 ASP B 102 9.766 5.909 8.359 1.00 3.25 O ATOM 954 OD2 ASP B 102 10.143 7.864 9.289 1.00 3.65 O ATOM 0 H ASP B 102 12.710 7.816 5.318 1.00 1.82 H new ATOM 0 HA ASP B 102 9.952 7.350 5.735 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.893 6.397 7.047 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.148 7.980 7.753 1.00 2.35 H new ATOM 959 N ASN B 103 10.777 10.391 5.880 1.00 1.11 N ATOM 960 CA ASN B 103 10.320 11.751 6.144 1.00 1.29 C ATOM 961 C ASN B 103 9.026 12.048 5.393 1.00 1.11 C ATOM 962 O ASN B 103 8.239 12.897 5.811 1.00 1.40 O ATOM 963 CB ASN B 103 11.396 12.765 5.748 1.00 1.77 C ATOM 964 CG ASN B 103 12.556 12.801 6.727 1.00 2.19 C ATOM 965 OD1 ASN B 103 12.872 11.654 7.317 1.00 2.84 O flip ATOM 966 ND2 ASN B 103 13.163 13.849 6.948 1.00 2.04 N flip ATOM 0 H ASN B 103 11.556 10.327 5.225 1.00 1.11 H new ATOM 0 HA ASN B 103 10.127 11.837 7.213 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.772 12.520 4.755 1.00 1.77 H new ATOM 0 HB3 ASN B 103 10.949 13.757 5.684 1.00 1.77 H new ATOM 0 HD21 ASN B 103 12.887 14.708 6.473 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.942 13.858 7.606 1.00 2.04 H new ATOM 973 N LYS B 104 8.816 11.346 4.283 1.00 0.91 N ATOM 974 CA LYS B 104 7.616 11.531 3.474 1.00 0.83 C ATOM 975 C LYS B 104 6.358 11.416 4.328 1.00 0.58 C ATOM 976 O LYS B 104 5.613 12.384 4.486 1.00 0.72 O ATOM 977 CB LYS B 104 7.582 10.504 2.346 1.00 0.98 C ATOM 978 CG LYS B 104 8.797 10.581 1.441 1.00 1.29 C ATOM 979 CD LYS B 104 8.821 9.447 0.427 1.00 1.55 C ATOM 980 CE LYS B 104 7.727 9.606 -0.617 1.00 1.61 C ATOM 981 NZ LYS B 104 7.679 8.449 -1.554 1.00 2.12 N ATOM 0 H LYS B 104 9.462 10.643 3.923 1.00 0.91 H new ATOM 0 HA LYS B 104 7.644 12.532 3.045 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.517 9.504 2.774 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.682 10.655 1.751 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.800 11.537 0.917 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.703 10.547 2.046 1.00 1.29 H new ATOM 0 HD2 LYS B 104 9.793 9.419 -0.065 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.697 8.495 0.942 1.00 1.55 H new ATOM 0 HE2 LYS B 104 6.763 9.710 -0.119 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.895 10.523 -1.181 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 6.920 8.597 -2.250 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 8.590 8.365 -2.048 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 7.493 7.577 -1.019 1.00 2.12 H new ATOM 995 N PHE B 105 6.125 10.227 4.875 1.00 0.46 N ATOM 996 CA PHE B 105 4.957 9.988 5.717 1.00 0.37 C ATOM 997 C PHE B 105 5.371 9.722 7.163 1.00 0.57 C ATOM 998 O PHE B 105 6.548 9.505 7.452 1.00 1.14 O ATOM 999 CB PHE B 105 4.145 8.811 5.177 1.00 0.49 C ATOM 1000 CG PHE B 105 4.960 7.573 4.937 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.568 7.354 3.711 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.121 6.631 5.939 1.00 0.98 C ATOM 1003 CE1 PHE B 105 6.320 6.217 3.491 1.00 1.10 C ATOM 1004 CE2 PHE B 105 5.872 5.493 5.723 1.00 1.19 C ATOM 1005 CZ PHE B 105 6.464 5.281 4.489 1.00 1.19 C ATOM 0 H PHE B 105 6.729 9.414 4.751 1.00 0.46 H new ATOM 0 HA PHE B 105 4.337 10.884 5.698 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.347 8.578 5.882 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.669 9.108 4.243 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.452 8.080 2.920 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.654 6.788 6.900 1.00 0.98 H new ATOM 0 HE1 PHE B 105 6.796 6.062 2.534 1.00 1.10 H new ATOM 0 HE2 PHE B 105 5.998 4.769 6.515 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.037 4.383 4.311 1.00 1.19 H new ATOM 1015 N ASN B 106 4.394 9.739 8.065 1.00 0.51 N ATOM 1016 CA ASN B 106 4.652 9.505 9.483 1.00 0.67 C ATOM 1017 C ASN B 106 3.545 8.657 10.100 1.00 0.67 C ATOM 1018 O ASN B 106 3.767 7.509 10.485 1.00 0.82 O ATOM 1019 CB ASN B 106 4.758 10.834 10.236 1.00 0.81 C ATOM 1020 CG ASN B 106 5.001 12.010 9.313 1.00 0.84 C ATOM 1021 OD1 ASN B 106 6.145 12.381 9.047 1.00 1.17 O ATOM 1022 ND2 ASN B 106 3.920 12.604 8.820 1.00 0.78 N ATOM 0 H ASN B 106 3.415 9.913 7.839 1.00 0.51 H new ATOM 0 HA ASN B 106 5.598 8.969 9.568 1.00 0.67 H new ATOM 0 HB2 ASN B 106 3.840 11.002 10.799 1.00 0.81 H new ATOM 0 HB3 ASN B 106 5.569 10.773 10.961 1.00 0.81 H new ATOM 0 HD21 ASN B 106 4.018 13.403 8.193 1.00 0.78 H new ATOM 0 HD22 ASN B 106 2.992 12.262 9.068 1.00 0.78 H new ATOM 1029 N LYS B 107 2.353 9.237 10.196 1.00 0.62 N ATOM 1030 CA LYS B 107 1.205 8.544 10.763 1.00 0.63 C ATOM 1031 C LYS B 107 -0.055 8.811 9.946 1.00 0.54 C ATOM 1032 O LYS B 107 -0.612 7.901 9.338 1.00 0.45 O ATOM 1033 CB LYS B 107 0.982 8.988 12.207 1.00 0.79 C ATOM 1034 CG LYS B 107 -0.187 8.291 12.885 1.00 0.80 C ATOM 1035 CD LYS B 107 -0.474 8.882 14.257 1.00 1.00 C ATOM 1036 CE LYS B 107 -0.955 10.323 14.158 1.00 1.07 C ATOM 1037 NZ LYS B 107 -1.290 10.892 15.492 1.00 1.78 N ATOM 0 H LYS B 107 2.158 10.189 9.887 1.00 0.62 H new ATOM 0 HA LYS B 107 1.414 7.474 10.740 1.00 0.63 H new ATOM 0 HB2 LYS B 107 1.889 8.799 12.781 1.00 0.79 H new ATOM 0 HB3 LYS B 107 0.812 10.065 12.225 1.00 0.79 H new ATOM 0 HG2 LYS B 107 -1.075 8.377 12.259 1.00 0.80 H new ATOM 0 HG3 LYS B 107 0.031 7.228 12.985 1.00 0.80 H new ATOM 0 HD2 LYS B 107 -1.229 8.280 14.762 1.00 1.00 H new ATOM 0 HD3 LYS B 107 0.428 8.840 14.868 1.00 1.00 H new ATOM 0 HE2 LYS B 107 -0.182 10.932 13.688 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -1.833 10.369 13.514 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 -1.613 11.874 15.379 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 -2.045 10.327 15.931 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 -0.446 10.873 16.099 1.00 1.78 H new ATOM 1051 N GLU B 108 -0.490 10.069 9.942 1.00 0.61 N ATOM 1052 CA GLU B 108 -1.690 10.481 9.214 1.00 0.62 C ATOM 1053 C GLU B 108 -1.752 9.864 7.818 1.00 0.49 C ATOM 1054 O GLU B 108 -2.831 9.526 7.327 1.00 0.53 O ATOM 1055 CB GLU B 108 -1.736 12.005 9.109 1.00 0.74 C ATOM 1056 CG GLU B 108 -2.027 12.694 10.432 1.00 0.87 C ATOM 1057 CD GLU B 108 -2.133 14.200 10.295 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -3.242 14.692 10.000 1.00 1.16 O ATOM 1059 OE2 GLU B 108 -1.107 14.887 10.485 1.00 1.37 O ATOM 0 H GLU B 108 -0.025 10.828 10.440 1.00 0.61 H new ATOM 0 HA GLU B 108 -2.554 10.122 9.773 1.00 0.62 H new ATOM 0 HB2 GLU B 108 -0.782 12.364 8.723 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -2.500 12.289 8.385 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -2.958 12.304 10.843 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -1.238 12.452 11.144 1.00 0.87 H new ATOM 1066 N THR B 109 -0.596 9.720 7.183 1.00 0.39 N ATOM 1067 CA THR B 109 -0.523 9.146 5.843 1.00 0.28 C ATOM 1068 C THR B 109 -0.644 7.624 5.884 1.00 0.25 C ATOM 1069 O THR B 109 -1.252 7.016 5.004 1.00 0.27 O ATOM 1070 CB THR B 109 0.793 9.536 5.142 1.00 0.25 C ATOM 1071 OG1 THR B 109 0.822 10.949 4.908 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.954 8.796 3.820 1.00 0.27 C ATOM 0 H THR B 109 0.306 9.993 7.574 1.00 0.39 H new ATOM 0 HA THR B 109 -1.361 9.551 5.276 1.00 0.28 H new ATOM 0 HB THR B 109 1.619 9.255 5.796 1.00 0.25 H new ATOM 0 HG1 THR B 109 1.723 11.291 5.085 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.891 9.092 3.349 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.963 7.722 4.003 1.00 0.27 H new ATOM 0 HG23 THR B 109 0.122 9.044 3.160 1.00 0.27 H new ATOM 1080 N GLN B 110 -0.063 7.015 6.913 1.00 0.30 N ATOM 1081 CA GLN B 110 -0.102 5.565 7.068 1.00 0.32 C ATOM 1082 C GLN B 110 -1.506 5.078 7.417 1.00 0.30 C ATOM 1083 O GLN B 110 -1.881 3.955 7.081 1.00 0.30 O ATOM 1084 CB GLN B 110 0.894 5.123 8.138 1.00 0.42 C ATOM 1085 CG GLN B 110 2.342 5.212 7.682 1.00 0.48 C ATOM 1086 CD GLN B 110 3.333 5.001 8.811 1.00 0.85 C ATOM 1087 OE1 GLN B 110 4.438 5.543 8.787 1.00 1.34 O ATOM 1088 NE2 GLN B 110 2.947 4.210 9.804 1.00 1.38 N ATOM 0 H GLN B 110 0.441 7.504 7.653 1.00 0.30 H new ATOM 0 HA GLN B 110 0.177 5.118 6.114 1.00 0.32 H new ATOM 0 HB2 GLN B 110 0.761 5.741 9.026 1.00 0.42 H new ATOM 0 HB3 GLN B 110 0.674 4.096 8.428 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.519 4.467 6.906 1.00 0.48 H new ATOM 0 HG3 GLN B 110 2.516 6.189 7.231 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.022 3.781 9.784 1.00 1.38 H new ATOM 0 HE22 GLN B 110 3.575 4.031 10.587 1.00 1.38 H new ATOM 1097 N GLU B 111 -2.278 5.919 8.098 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.640 5.563 8.474 1.00 0.30 C ATOM 1099 C GLU B 111 -4.523 5.507 7.237 1.00 0.28 C ATOM 1100 O GLU B 111 -5.380 4.634 7.103 1.00 0.39 O ATOM 1101 CB GLU B 111 -4.199 6.579 9.467 1.00 0.34 C ATOM 1102 CG GLU B 111 -3.255 6.873 10.616 1.00 0.38 C ATOM 1103 CD GLU B 111 -3.165 5.731 11.609 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -4.031 5.654 12.505 1.00 1.04 O ATOM 1105 OE2 GLU B 111 -2.229 4.912 11.489 1.00 2.25 O ATOM 0 H GLU B 111 -1.984 6.848 8.399 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.626 4.581 8.947 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -4.421 7.507 8.941 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -5.142 6.206 9.866 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -2.262 7.083 10.220 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -3.588 7.773 11.133 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.299 6.455 6.335 1.00 0.20 N ATOM 1113 CA ALA B 112 -5.055 6.530 5.092 1.00 0.17 C ATOM 1114 C ALA B 112 -4.542 5.509 4.082 1.00 0.13 C ATOM 1115 O ALA B 112 -5.281 5.067 3.203 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.974 7.933 4.513 1.00 0.17 C ATOM 0 H ALA B 112 -3.596 7.186 6.443 1.00 0.20 H new ATOM 0 HA ALA B 112 -6.098 6.298 5.310 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.543 7.977 3.584 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.389 8.645 5.226 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.932 8.184 4.313 1.00 0.17 H new ATOM 1122 N SER B 113 -3.272 5.140 4.216 1.00 0.13 N ATOM 1123 CA SER B 113 -2.656 4.170 3.317 1.00 0.11 C ATOM 1124 C SER B 113 -3.210 2.773 3.572 1.00 0.10 C ATOM 1125 O SER B 113 -3.554 2.050 2.638 1.00 0.12 O ATOM 1126 CB SER B 113 -1.134 4.166 3.498 1.00 0.15 C ATOM 1127 OG SER B 113 -0.770 3.598 4.743 1.00 0.92 O ATOM 0 H SER B 113 -2.649 5.498 4.939 1.00 0.13 H new ATOM 0 HA SER B 113 -2.892 4.459 2.293 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.670 3.603 2.688 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.755 5.186 3.435 1.00 0.15 H new ATOM 0 HG SER B 113 -1.440 3.834 5.418 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.301 2.400 4.844 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.808 1.087 5.217 1.00 0.10 C ATOM 1135 C TRP B 114 -5.265 0.916 4.802 1.00 0.12 C ATOM 1136 O TRP B 114 -5.620 -0.077 4.169 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.659 0.864 6.724 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.242 -0.438 7.190 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -5.214 -0.615 8.131 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.888 -1.744 6.726 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.484 -1.955 8.284 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.682 -2.667 7.431 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.975 -2.222 5.783 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.590 -4.041 7.221 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.885 -3.583 5.574 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.689 -4.480 6.291 1.00 0.23 C ATOM 0 H TRP B 114 -3.030 2.988 5.632 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.216 0.340 4.688 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.602 0.896 6.987 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.144 1.683 7.256 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.700 0.181 8.676 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -6.169 -2.353 8.927 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.350 -1.538 5.227 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -5.208 -4.734 7.773 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.184 -3.963 4.846 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.595 -5.540 6.105 1.00 0.23 H new ATOM 1157 N GLU B 115 -6.103 1.887 5.156 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.522 1.832 4.820 1.00 0.18 C ATOM 1159 C GLU B 115 -7.723 1.510 3.346 1.00 0.19 C ATOM 1160 O GLU B 115 -8.436 0.574 3.001 1.00 0.33 O ATOM 1161 CB GLU B 115 -8.208 3.154 5.154 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.517 3.327 6.632 1.00 0.31 C ATOM 1163 CD GLU B 115 -9.483 2.279 7.151 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -10.707 2.517 7.084 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -9.015 1.222 7.623 1.00 2.03 O ATOM 0 H GLU B 115 -5.824 2.720 5.675 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.971 1.037 5.416 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.572 3.976 4.827 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.136 3.224 4.587 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -7.589 3.275 7.202 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.938 4.318 6.798 1.00 0.31 H new ATOM 1172 N ILE B 116 -7.094 2.294 2.480 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.202 2.081 1.042 1.00 0.12 C ATOM 1174 C ILE B 116 -6.925 0.624 0.689 1.00 0.10 C ATOM 1175 O ILE B 116 -7.550 0.063 -0.209 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.215 2.988 0.274 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.625 4.456 0.419 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.150 2.591 -1.195 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.533 5.435 0.041 1.00 0.11 C ATOM 0 H ILE B 116 -6.504 3.082 2.747 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.221 2.334 0.748 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.221 2.860 0.703 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.499 4.643 -0.204 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.924 4.640 1.451 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.449 3.242 -1.717 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.815 1.557 -1.278 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.139 2.689 -1.643 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.898 6.454 0.169 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.665 5.277 0.681 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.249 5.280 -1.000 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.992 0.014 1.412 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.627 -1.376 1.172 1.00 0.09 C ATOM 1193 C PHE B 117 -6.663 -2.331 1.759 1.00 0.11 C ATOM 1194 O PHE B 117 -6.805 -3.461 1.291 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.252 -1.673 1.774 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.662 -2.978 1.317 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.919 -4.151 2.011 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.851 -3.033 0.196 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.377 -5.352 1.593 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.306 -4.230 -0.226 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.570 -5.391 0.473 1.00 0.20 C ATOM 0 H PHE B 117 -5.475 0.461 2.169 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.592 -1.530 0.093 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.569 -0.865 1.514 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.335 -1.683 2.861 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.549 -4.126 2.888 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.642 -2.128 -0.356 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.584 -6.259 2.142 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.674 -4.258 -1.102 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.146 -6.328 0.144 1.00 0.20 H new ATOM 1211 N THR B 118 -7.390 -1.877 2.778 1.00 0.12 N ATOM 1212 CA THR B 118 -8.398 -2.719 3.416 1.00 0.16 C ATOM 1213 C THR B 118 -9.625 -2.888 2.528 1.00 0.18 C ATOM 1214 O THR B 118 -10.335 -3.886 2.638 1.00 0.34 O ATOM 1215 CB THR B 118 -8.841 -2.166 4.785 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.545 -0.931 4.619 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.643 -1.957 5.696 1.00 0.20 C ATOM 0 H THR B 118 -7.301 -0.942 3.175 1.00 0.12 H new ATOM 0 HA THR B 118 -7.925 -3.689 3.571 1.00 0.16 H new ATOM 0 HB THR B 118 -9.506 -2.897 5.246 1.00 0.19 H new ATOM 0 HG1 THR B 118 -9.231 -0.482 3.807 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.980 -1.566 6.656 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.133 -2.908 5.850 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.956 -1.247 5.236 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.875 -1.908 1.658 1.00 0.14 N ATOM 1226 CA LEU B 119 -11.004 -1.947 0.752 1.00 0.14 C ATOM 1227 C LEU B 119 -11.156 -3.321 0.100 1.00 0.15 C ATOM 1228 O LEU B 119 -10.420 -3.664 -0.824 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.812 -0.860 -0.299 1.00 0.16 C ATOM 1230 CG LEU B 119 -11.250 0.539 0.143 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -11.165 0.721 1.644 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -10.452 1.616 -0.571 1.00 1.01 C ATOM 0 H LEU B 119 -9.298 -1.072 1.568 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.922 -1.766 1.311 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -9.759 -0.825 -0.579 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.370 -1.135 -1.194 1.00 0.16 H new ATOM 0 HG LEU B 119 -12.298 0.641 -0.138 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -11.486 1.729 1.907 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -11.812 -0.006 2.136 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -10.136 0.571 1.971 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -10.786 2.598 -0.236 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -9.393 1.495 -0.343 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -10.604 1.528 -1.647 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.127 -4.125 0.578 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.367 -5.475 0.053 1.00 0.26 C ATOM 1246 C PRO B 120 -12.905 -5.462 -1.371 1.00 0.26 C ATOM 1247 O PRO B 120 -12.912 -6.491 -2.048 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.417 -6.045 1.009 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.124 -4.848 1.537 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.075 -3.782 1.657 1.00 0.35 C ATOM 0 HA PRO B 120 -11.447 -6.058 0.004 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -14.103 -6.716 0.492 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.954 -6.619 1.811 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.924 -4.537 0.865 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.582 -5.058 2.503 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.495 -2.785 1.523 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.595 -3.797 2.636 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.354 -4.297 -1.824 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.893 -4.174 -3.174 1.00 0.23 C ATOM 1260 C ASN B 121 -12.808 -3.767 -4.162 1.00 0.19 C ATOM 1261 O ASN B 121 -12.861 -4.130 -5.337 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.043 -3.168 -3.209 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.332 -3.756 -2.673 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.075 -4.414 -3.401 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.604 -3.520 -1.396 1.00 0.50 N ATOM 0 H ASN B 121 -13.356 -3.432 -1.283 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.276 -5.151 -3.469 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.774 -2.290 -2.622 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.198 -2.831 -4.234 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.459 -3.890 -0.980 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -15.958 -2.969 -0.830 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.824 -3.012 -3.683 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.729 -2.573 -4.536 1.00 0.13 C ATOM 1274 C LEU B 122 -9.680 -3.657 -4.702 1.00 0.16 C ATOM 1275 O LEU B 122 -9.296 -4.325 -3.742 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.083 -1.313 -3.969 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.561 -0.013 -4.607 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.079 0.041 -4.619 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -9.980 1.179 -3.873 1.00 0.19 C ATOM 0 H LEU B 122 -11.764 -2.694 -2.716 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.149 -2.353 -5.518 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.279 -1.270 -2.898 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.003 -1.387 -4.092 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.212 0.022 -5.639 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.406 0.974 -5.077 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.468 -0.801 -5.192 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.453 -0.012 -3.597 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.330 2.100 -4.340 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.300 1.156 -2.831 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -8.892 1.140 -3.919 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.221 -3.822 -5.934 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.200 -4.817 -6.239 1.00 0.20 C ATOM 1293 C ASN B 123 -6.808 -4.226 -6.053 1.00 0.19 C ATOM 1294 O ASN B 123 -6.669 -3.058 -5.692 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.366 -5.347 -7.664 1.00 0.28 C ATOM 1296 CG ASN B 123 -8.602 -4.241 -8.670 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -7.522 -3.673 -9.192 1.00 1.73 O flip ATOM 1298 ND2 ASN B 123 -9.744 -3.900 -8.975 1.00 1.39 N flip ATOM 0 H ASN B 123 -9.538 -3.281 -6.739 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.321 -5.651 -5.547 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.474 -5.906 -7.946 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -9.203 -6.045 -7.693 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.546 -4.364 -8.549 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -9.889 -3.153 -9.654 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.781 -5.030 -6.303 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.415 -4.564 -6.142 1.00 0.11 C ATOM 1307 C GLY B 124 -4.091 -3.346 -6.988 1.00 0.11 C ATOM 1308 O GLY B 124 -3.347 -2.466 -6.556 1.00 0.17 O ATOM 0 H GLY B 124 -5.869 -5.997 -6.615 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.242 -4.325 -5.093 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.730 -5.371 -6.403 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.653 -3.293 -8.189 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.400 -2.182 -9.101 1.00 0.14 C ATOM 1314 C ARG B 125 -5.041 -0.889 -8.604 1.00 0.12 C ATOM 1315 O ARG B 125 -4.409 0.168 -8.605 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.931 -2.510 -10.499 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.757 -3.968 -10.896 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.405 -4.256 -12.240 1.00 0.90 C ATOM 1319 NE ARG B 125 -5.360 -5.677 -12.578 1.00 1.75 N ATOM 1320 CZ ARG B 125 -5.939 -6.196 -13.655 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -6.600 -5.414 -14.499 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -5.860 -7.499 -13.891 1.00 3.25 N ATOM 0 H ARG B 125 -5.286 -4.004 -8.555 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.321 -2.035 -9.144 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.990 -2.255 -10.544 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.420 -1.881 -11.228 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.695 -4.210 -10.943 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.197 -4.610 -10.133 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -6.442 -3.921 -12.221 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.899 -3.683 -13.017 1.00 0.90 H new ATOM 0 HE ARG B 125 -4.856 -6.305 -11.952 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -6.664 -4.412 -14.322 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -7.044 -5.815 -15.325 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -5.354 -8.105 -13.245 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -6.305 -7.895 -14.719 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.296 -0.980 -8.182 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.029 0.187 -7.701 1.00 0.11 C ATOM 1338 C GLN B 126 -6.416 0.757 -6.420 1.00 0.09 C ATOM 1339 O GLN B 126 -6.209 1.965 -6.315 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.501 -0.172 -7.482 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.216 -0.587 -8.761 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.665 -0.958 -8.541 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.210 -1.820 -9.229 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.303 -0.297 -7.589 1.00 0.64 N ATOM 0 H GLN B 126 -6.829 -1.850 -8.163 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.960 0.963 -8.464 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.566 -0.984 -6.758 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.016 0.685 -7.047 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -9.162 0.230 -9.481 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.694 -1.436 -9.202 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.812 0.410 -7.042 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.286 -0.495 -7.402 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.124 -0.108 -5.450 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.538 0.340 -4.188 1.00 0.08 C ATOM 1355 C VAL B 127 -4.138 0.918 -4.395 1.00 0.08 C ATOM 1356 O VAL B 127 -3.836 2.004 -3.905 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.472 -0.797 -3.141 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.869 -1.257 -2.752 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.645 -1.965 -3.660 1.00 0.10 C ATOM 0 H VAL B 127 -6.282 -1.114 -5.512 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.195 1.122 -3.808 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.983 -0.405 -2.249 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.797 -2.057 -2.015 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.422 -0.420 -2.326 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.390 -1.624 -3.636 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.613 -2.752 -2.906 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.097 -2.354 -4.572 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.631 -1.626 -3.874 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.291 0.199 -5.134 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.924 0.653 -5.389 1.00 0.10 C ATOM 1371 C ALA B 128 -1.915 2.013 -6.075 1.00 0.10 C ATOM 1372 O ALA B 128 -0.889 2.695 -6.111 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.169 -0.372 -6.224 1.00 0.10 C ATOM 0 H ALA B 128 -3.526 -0.695 -5.564 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.420 0.759 -4.428 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.154 -0.018 -6.404 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.133 -1.321 -5.689 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.679 -0.512 -7.177 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.061 2.399 -6.620 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.191 3.681 -7.299 1.00 0.09 C ATOM 1381 C ALA B 129 -3.493 4.787 -6.298 1.00 0.09 C ATOM 1382 O ALA B 129 -3.062 5.928 -6.465 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.281 3.612 -8.355 1.00 0.10 C ATOM 0 H ALA B 129 -3.915 1.842 -6.605 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.245 3.909 -7.790 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.366 4.578 -8.854 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.029 2.846 -9.088 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.231 3.363 -7.882 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.240 4.437 -5.257 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.603 5.391 -4.218 1.00 0.08 C ATOM 1391 C PHE B 130 -3.477 5.525 -3.194 1.00 0.09 C ATOM 1392 O PHE B 130 -3.394 6.523 -2.477 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.904 4.960 -3.536 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.142 5.274 -4.333 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.647 6.567 -4.389 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.801 4.273 -5.027 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.783 6.849 -5.124 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.937 4.550 -5.761 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.428 5.839 -5.810 1.00 0.16 C ATOM 0 H PHE B 130 -4.607 3.496 -5.111 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.760 6.366 -4.680 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.867 3.887 -3.349 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.974 5.451 -2.565 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.147 7.360 -3.853 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.421 3.263 -4.994 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.166 7.858 -5.162 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.441 3.759 -6.296 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.316 6.058 -6.384 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.610 4.512 -3.128 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.478 4.535 -2.205 1.00 0.09 C ATOM 1411 C ILE B 131 -0.370 5.410 -2.770 1.00 0.10 C ATOM 1412 O ILE B 131 0.261 6.185 -2.051 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.908 3.123 -1.948 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -2.004 2.170 -1.464 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.230 3.188 -0.935 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.519 2.478 -0.075 1.00 0.13 C ATOM 0 H ILE B 131 -2.671 3.670 -3.701 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.843 4.936 -1.259 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.516 2.736 -2.889 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.838 2.205 -2.165 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.618 1.151 -1.479 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.622 2.186 -0.764 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.024 3.827 -1.321 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.142 3.598 0.004 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.292 1.759 0.194 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.699 2.413 0.640 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.938 3.484 -0.057 1.00 0.13 H new ATOM 1428 N SER B 132 -0.141 5.271 -4.073 1.00 0.11 N ATOM 1429 CA SER B 132 0.882 6.047 -4.765 1.00 0.13 C ATOM 1430 C SER B 132 0.632 7.540 -4.599 1.00 0.15 C ATOM 1431 O SER B 132 1.504 8.279 -4.143 1.00 0.21 O ATOM 1432 CB SER B 132 0.903 5.686 -6.251 1.00 0.17 C ATOM 1433 OG SER B 132 1.942 6.371 -6.928 1.00 0.63 O ATOM 0 H SER B 132 -0.653 4.624 -4.673 1.00 0.11 H new ATOM 0 HA SER B 132 1.849 5.806 -4.324 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.038 4.610 -6.365 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.057 5.937 -6.703 1.00 0.17 H new ATOM 0 HG SER B 132 1.935 6.122 -7.876 1.00 0.63 H new ATOM 1439 N SER B 133 -0.566 7.977 -4.978 1.00 0.15 N ATOM 1440 CA SER B 133 -0.940 9.385 -4.868 1.00 0.19 C ATOM 1441 C SER B 133 -0.737 9.893 -3.447 1.00 0.18 C ATOM 1442 O SER B 133 -0.394 11.056 -3.234 1.00 0.26 O ATOM 1443 CB SER B 133 -2.400 9.578 -5.272 1.00 0.23 C ATOM 1444 OG SER B 133 -2.701 10.950 -5.457 1.00 0.74 O ATOM 0 H SER B 133 -1.295 7.377 -5.364 1.00 0.15 H new ATOM 0 HA SER B 133 -0.298 9.955 -5.540 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.601 9.031 -6.193 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.051 9.160 -4.504 1.00 0.23 H new ATOM 0 HG SER B 133 -3.405 11.042 -6.132 1.00 0.74 H new ATOM 1450 N LEU B 134 -0.955 9.011 -2.478 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.810 9.361 -1.070 1.00 0.13 C ATOM 1452 C LEU B 134 0.631 9.739 -0.739 1.00 0.15 C ATOM 1453 O LEU B 134 0.906 10.852 -0.295 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.253 8.192 -0.188 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.261 8.544 0.905 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.508 7.343 1.804 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.772 9.732 1.719 1.00 0.20 C ATOM 0 H LEU B 134 -1.234 8.044 -2.643 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.444 10.225 -0.873 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.687 7.422 -0.825 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.370 7.757 0.281 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.203 8.819 0.432 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.228 7.610 2.578 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -2.902 6.519 1.210 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.571 7.039 2.270 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.503 9.968 2.493 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -0.817 9.486 2.184 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.645 10.594 1.064 1.00 0.20 H new ATOM 1469 N LEU B 135 1.542 8.800 -0.959 1.00 0.17 N ATOM 1470 CA LEU B 135 2.957 9.020 -0.675 1.00 0.22 C ATOM 1471 C LEU B 135 3.543 10.095 -1.587 1.00 0.24 C ATOM 1472 O LEU B 135 4.549 10.721 -1.255 1.00 0.31 O ATOM 1473 CB LEU B 135 3.731 7.708 -0.835 1.00 0.26 C ATOM 1474 CG LEU B 135 3.596 6.694 0.317 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.331 6.926 1.135 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.606 5.278 -0.233 1.00 0.65 C ATOM 0 H LEU B 135 1.327 7.876 -1.334 1.00 0.17 H new ATOM 0 HA LEU B 135 3.049 9.368 0.354 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.402 7.226 -1.756 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.787 7.946 -0.960 1.00 0.26 H new ATOM 0 HG LEU B 135 4.449 6.835 0.981 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.276 6.189 1.936 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.354 7.928 1.564 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.458 6.827 0.490 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.510 4.568 0.588 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.772 5.150 -0.923 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.543 5.099 -0.760 1.00 0.65 H new ATOM 1488 N ASP B 136 2.908 10.303 -2.735 1.00 0.22 N ATOM 1489 CA ASP B 136 3.365 11.305 -3.691 1.00 0.26 C ATOM 1490 C ASP B 136 2.797 12.678 -3.342 1.00 0.25 C ATOM 1491 O ASP B 136 3.345 13.707 -3.740 1.00 0.29 O ATOM 1492 CB ASP B 136 2.956 10.907 -5.110 1.00 0.29 C ATOM 1493 CG ASP B 136 3.460 11.883 -6.156 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.690 11.966 -6.346 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.622 12.568 -6.781 1.00 0.40 O ATOM 0 H ASP B 136 2.075 9.791 -3.026 1.00 0.22 H new ATOM 0 HA ASP B 136 4.453 11.359 -3.641 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.343 9.912 -5.330 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.869 10.847 -5.168 1.00 0.29 H new ATOM 1500 N ASP B 137 1.698 12.683 -2.593 1.00 0.24 N ATOM 1501 CA ASP B 137 1.050 13.923 -2.179 1.00 0.27 C ATOM 1502 C ASP B 137 0.259 13.713 -0.889 1.00 0.22 C ATOM 1503 O ASP B 137 -0.972 13.700 -0.903 1.00 0.24 O ATOM 1504 CB ASP B 137 0.125 14.442 -3.283 1.00 0.38 C ATOM 1505 CG ASP B 137 0.889 15.012 -4.460 1.00 1.19 C ATOM 1506 OD1 ASP B 137 1.228 16.214 -4.422 1.00 1.42 O ATOM 1507 OD2 ASP B 137 1.148 14.259 -5.422 1.00 2.13 O ATOM 0 H ASP B 137 1.236 11.837 -2.259 1.00 0.24 H new ATOM 0 HA ASP B 137 1.826 14.666 -1.995 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.515 13.630 -3.628 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.530 15.211 -2.872 1.00 0.38 H new ATOM 1512 N PRO B 138 0.963 13.545 0.247 1.00 0.19 N ATOM 1513 CA PRO B 138 0.325 13.332 1.555 1.00 0.21 C ATOM 1514 C PRO B 138 -0.649 14.446 1.922 1.00 0.22 C ATOM 1515 O PRO B 138 -1.407 14.325 2.885 1.00 0.31 O ATOM 1516 CB PRO B 138 1.504 13.312 2.532 1.00 0.24 C ATOM 1517 CG PRO B 138 2.680 12.935 1.701 1.00 0.25 C ATOM 1518 CD PRO B 138 2.434 13.541 0.349 1.00 0.23 C ATOM 0 HA PRO B 138 -0.272 12.420 1.566 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.646 14.286 3.000 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.340 12.593 3.335 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.605 13.313 2.137 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.780 11.852 1.632 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.846 14.548 0.278 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.892 12.952 -0.446 1.00 0.23 H new ATOM 1526 N SER B 139 -0.625 15.531 1.155 1.00 0.20 N ATOM 1527 CA SER B 139 -1.510 16.661 1.405 1.00 0.22 C ATOM 1528 C SER B 139 -2.964 16.270 1.159 1.00 0.19 C ATOM 1529 O SER B 139 -3.852 16.612 1.941 1.00 0.19 O ATOM 1530 CB SER B 139 -1.127 17.843 0.511 1.00 0.28 C ATOM 1531 OG SER B 139 -1.996 18.943 0.718 1.00 1.15 O ATOM 0 H SER B 139 -0.003 15.651 0.356 1.00 0.20 H new ATOM 0 HA SER B 139 -1.401 16.957 2.449 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.100 18.143 0.720 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.164 17.539 -0.535 1.00 0.28 H new ATOM 0 HG SER B 139 -1.729 19.685 0.136 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.197 15.550 0.067 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.539 15.105 -0.288 1.00 0.17 C ATOM 1539 C GLN B 140 -4.836 13.739 0.312 1.00 0.15 C ATOM 1540 O GLN B 140 -5.708 13.025 -0.170 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.698 15.033 -1.804 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.628 16.381 -2.497 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.678 17.353 -1.994 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.793 17.404 -2.513 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.325 18.135 -0.980 1.00 1.37 N ATOM 0 H GLN B 140 -2.471 15.262 -0.589 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.244 15.831 0.116 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.920 14.386 -2.210 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.655 14.566 -2.037 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.638 16.812 -2.346 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.754 16.240 -3.570 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.390 18.060 -0.579 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -5.989 18.811 -0.602 1.00 1.37 H new ATOM 1554 N SER B 141 -4.103 13.382 1.357 1.00 0.15 N ATOM 1555 CA SER B 141 -4.276 12.090 2.019 1.00 0.13 C ATOM 1556 C SER B 141 -5.744 11.780 2.291 1.00 0.13 C ATOM 1557 O SER B 141 -6.282 10.799 1.781 1.00 0.18 O ATOM 1558 CB SER B 141 -3.494 12.064 3.333 1.00 0.15 C ATOM 1559 OG SER B 141 -3.720 10.854 4.037 1.00 1.01 O ATOM 0 H SER B 141 -3.378 13.970 1.769 1.00 0.15 H new ATOM 0 HA SER B 141 -3.892 11.325 1.344 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.429 12.176 3.129 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.790 12.910 3.953 1.00 0.15 H new ATOM 0 HG SER B 141 -3.208 10.861 4.872 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.385 12.617 3.098 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.789 12.421 3.445 1.00 0.17 C ATOM 1567 C ALA B 142 -8.687 12.454 2.214 1.00 0.17 C ATOM 1568 O ALA B 142 -9.760 11.852 2.208 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.232 13.471 4.451 1.00 0.20 C ATOM 0 H ALA B 142 -5.956 13.438 3.525 1.00 0.16 H new ATOM 0 HA ALA B 142 -7.884 11.432 3.893 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.281 13.315 4.702 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.627 13.388 5.354 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.106 14.464 4.020 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.251 13.156 1.173 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.039 13.257 -0.049 1.00 0.18 C ATOM 1577 C ASN B 143 -8.832 12.024 -0.913 1.00 0.16 C ATOM 1578 O ASN B 143 -9.714 11.617 -1.667 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.660 14.512 -0.832 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.806 15.776 -0.007 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.739 16.157 0.686 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -9.864 16.404 0.006 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.364 13.659 1.151 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.091 13.324 0.227 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.630 14.424 -1.177 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.288 14.586 -1.720 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.659 16.075 -0.542 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -9.946 17.254 0.565 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.651 11.436 -0.786 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.287 10.252 -1.541 1.00 0.12 C ATOM 1591 C LEU B 144 -7.949 9.024 -0.941 1.00 0.11 C ATOM 1592 O LEU B 144 -8.381 8.121 -1.660 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.767 10.111 -1.552 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.044 11.155 -2.405 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.554 11.129 -2.130 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.324 10.923 -3.881 1.00 0.14 C ATOM 0 H LEU B 144 -6.921 11.768 -0.156 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.637 10.348 -2.569 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.400 10.178 -0.528 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.509 9.117 -1.918 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.422 12.142 -2.137 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.057 11.878 -2.746 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.374 11.348 -1.077 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.157 10.142 -2.368 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.802 11.675 -4.473 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.975 9.930 -4.166 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.396 10.997 -4.064 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.026 8.999 0.382 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.676 7.906 1.082 1.00 0.11 C ATOM 1610 C LEU B 145 -10.177 8.055 0.913 1.00 0.12 C ATOM 1611 O LEU B 145 -10.918 7.071 0.885 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.296 7.905 2.565 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.227 7.104 3.481 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.300 5.650 3.038 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.762 7.199 4.926 1.00 0.16 C ATOM 0 H LEU B 145 -7.646 9.724 0.990 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.348 6.955 0.662 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.286 7.507 2.664 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.268 8.936 2.916 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.227 7.532 3.410 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.966 5.100 3.703 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.681 5.599 2.018 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.304 5.208 3.076 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.434 6.624 5.563 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.752 6.799 5.010 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.766 8.242 5.242 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.615 9.306 0.795 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.022 9.602 0.597 1.00 0.17 C ATOM 1629 C ALA B 146 -12.469 9.072 -0.756 1.00 0.16 C ATOM 1630 O ALA B 146 -13.497 8.407 -0.863 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.273 11.099 0.694 1.00 0.20 C ATOM 0 H ALA B 146 -10.012 10.128 0.834 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.601 9.112 1.380 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.333 11.301 0.543 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -11.973 11.455 1.679 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.693 11.615 -0.071 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.675 9.365 -1.785 1.00 0.18 N ATOM 1638 CA GLU B 147 -11.965 8.907 -3.136 1.00 0.19 C ATOM 1639 C GLU B 147 -12.001 7.392 -3.162 1.00 0.16 C ATOM 1640 O GLU B 147 -12.925 6.784 -3.701 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.895 9.409 -4.104 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.893 10.915 -4.278 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.891 11.384 -5.319 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.069 11.596 -4.959 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.496 11.540 -6.494 1.00 0.57 O ATOM 0 H GLU B 147 -10.823 9.920 -1.704 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.934 9.301 -3.443 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.916 9.092 -3.746 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.047 8.939 -5.076 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.121 11.388 -3.323 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.894 11.242 -4.565 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.973 6.796 -2.573 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.865 5.349 -2.495 1.00 0.12 C ATOM 1654 C ALA B 148 -12.154 4.751 -1.944 1.00 0.14 C ATOM 1655 O ALA B 148 -12.734 3.846 -2.540 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.680 4.966 -1.625 1.00 0.11 C ATOM 0 H ALA B 148 -10.198 7.298 -2.140 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.706 4.949 -3.497 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.605 3.880 -1.571 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.765 5.372 -2.057 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.819 5.371 -0.622 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.590 5.264 -0.796 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.819 4.804 -0.163 1.00 0.17 C ATOM 1664 C LYS B 149 -15.007 4.919 -1.117 1.00 0.17 C ATOM 1665 O LYS B 149 -15.940 4.119 -1.053 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.092 5.607 1.111 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.194 5.229 2.276 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.564 6.000 3.533 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.577 5.740 4.657 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.940 6.477 5.899 1.00 1.01 N ATOM 0 H LYS B 149 -12.106 6.002 -0.285 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.690 3.753 0.097 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.965 6.668 0.895 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.132 5.464 1.404 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.274 4.159 2.467 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.155 5.430 2.017 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.592 7.067 3.312 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.566 5.715 3.854 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.540 4.671 4.867 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.578 6.037 4.338 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.241 6.272 6.641 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.950 7.499 5.706 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.883 6.176 6.219 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.977 5.921 -1.998 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.055 6.114 -2.964 1.00 0.20 C ATOM 1686 C LYS B 150 -16.025 5.008 -4.009 1.00 0.21 C ATOM 1687 O LYS B 150 -17.064 4.477 -4.399 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.942 7.479 -3.648 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.999 8.652 -2.682 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.238 9.968 -3.407 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.641 10.045 -3.988 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.688 9.835 -2.949 1.00 1.99 N ATOM 0 H LYS B 150 -14.223 6.605 -2.061 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.002 6.077 -2.426 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.005 7.521 -4.203 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.748 7.579 -4.375 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.795 8.487 -1.956 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.065 8.709 -2.123 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.085 10.797 -2.716 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.506 10.080 -4.207 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -17.786 11.018 -4.457 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -17.751 9.294 -4.770 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -19.604 10.173 -3.306 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -18.756 8.822 -2.724 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -18.435 10.364 -2.090 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.822 4.667 -4.456 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.643 3.613 -5.443 1.00 0.16 C ATOM 1708 C LEU B 151 -15.049 2.274 -4.842 1.00 0.15 C ATOM 1709 O LEU B 151 -15.737 1.472 -5.471 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.183 3.562 -5.903 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.864 2.515 -6.976 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.868 2.576 -8.114 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.451 2.711 -7.502 1.00 0.18 C ATOM 0 H LEU B 151 -13.955 5.107 -4.149 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.273 3.823 -6.307 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.907 4.544 -6.286 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.553 3.370 -5.034 1.00 0.16 H new ATOM 0 HG LEU B 151 -12.934 1.528 -6.518 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.618 1.823 -8.861 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.869 2.385 -7.727 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.839 3.565 -8.572 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.239 1.960 -8.263 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.360 3.706 -7.938 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.740 2.608 -6.682 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.602 2.053 -3.616 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.909 0.836 -2.881 1.00 0.14 C ATOM 1727 C ASN B 152 -16.413 0.661 -2.726 1.00 0.17 C ATOM 1728 O ASN B 152 -16.980 -0.335 -3.172 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.247 0.886 -1.506 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.638 -0.286 -0.632 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.837 -1.340 -0.673 1.00 1.39 O flip ATOM 1732 ND2 ASN B 152 -15.645 -0.242 0.075 1.00 0.69 N flip ATOM 0 H ASN B 152 -14.016 2.712 -3.103 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.522 -0.015 -3.441 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.164 0.899 -1.628 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.523 1.815 -1.007 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -16.233 0.592 0.074 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.892 -1.039 0.662 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.050 1.636 -2.086 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.493 1.603 -1.872 1.00 0.23 C ATOM 1741 C ASP B 153 -19.238 1.466 -3.196 1.00 0.25 C ATOM 1742 O ASP B 153 -20.344 0.925 -3.244 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.952 2.868 -1.144 1.00 0.28 C ATOM 1744 CG ASP B 153 -20.449 2.892 -0.909 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -20.899 2.334 0.115 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -21.173 3.470 -1.748 1.00 2.25 O ATOM 0 H ASP B 153 -16.588 2.462 -1.705 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.722 0.734 -1.255 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.436 2.940 -0.187 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -18.665 3.743 -1.727 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.626 1.962 -4.269 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.230 1.892 -5.594 1.00 0.28 C ATOM 1753 C ALA B 154 -19.485 0.444 -6.001 1.00 0.30 C ATOM 1754 O ALA B 154 -20.592 0.086 -6.402 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.338 2.584 -6.614 1.00 0.28 C ATOM 0 H ALA B 154 -17.713 2.416 -4.245 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.190 2.406 -5.561 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.799 2.525 -7.600 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.210 3.630 -6.335 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.365 2.093 -6.639 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.450 -0.384 -5.894 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.558 -1.797 -6.243 1.00 0.35 C ATOM 1763 C GLN B 155 -19.154 -2.593 -5.087 1.00 0.36 C ATOM 1764 O GLN B 155 -19.741 -3.658 -5.286 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.181 -2.358 -6.603 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.485 -1.596 -7.716 1.00 0.36 C ATOM 1767 CD GLN B 155 -15.162 -2.223 -8.113 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.089 -1.807 -7.451 1.00 0.51 O flip ATOM 1769 NE2 GLN B 155 -15.106 -3.073 -9.001 1.00 0.39 N flip ATOM 0 H GLN B 155 -17.526 -0.101 -5.568 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.218 -1.887 -7.106 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.549 -2.344 -5.715 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.290 -3.401 -6.901 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -17.139 -1.554 -8.587 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.314 -0.568 -7.396 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -15.956 -3.363 -9.484 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -14.209 -3.488 -9.254 1.00 0.39 H new ATOM 1778 N ALA B 156 -18.995 -2.065 -3.877 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.507 -2.713 -2.675 1.00 0.34 C ATOM 1780 C ALA B 156 -21.019 -2.927 -2.751 1.00 0.47 C ATOM 1781 O ALA B 156 -21.710 -2.230 -3.494 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.151 -1.887 -1.447 1.00 0.36 C ATOM 0 H ALA B 156 -18.512 -1.184 -3.703 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.039 -3.694 -2.597 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.537 -2.378 -0.554 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.067 -1.796 -1.371 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.593 -0.895 -1.535 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.554 -3.898 -1.986 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.992 -4.192 -1.977 1.00 0.68 C ATOM 1790 C PRO B 157 -23.832 -2.961 -1.655 1.00 0.79 C ATOM 1791 O PRO B 157 -24.648 -2.523 -2.467 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.141 -5.242 -0.873 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.795 -5.869 -0.753 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.805 -4.787 -1.076 1.00 0.48 C ATOM 0 HA PRO B 157 -23.341 -4.531 -2.952 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.449 -4.785 0.067 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -23.899 -5.981 -1.131 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.634 -6.258 0.252 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.693 -6.709 -1.440 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.478 -4.261 -0.179 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.911 -5.189 -1.553 1.00 0.48 H new ATOM 1802 N LYS B 158 -23.625 -2.407 -0.463 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.361 -1.227 -0.026 1.00 1.17 C ATOM 1804 C LYS B 158 -24.128 -0.056 -0.977 1.00 1.23 C ATOM 1805 O LYS B 158 -24.958 0.138 -1.890 1.00 1.76 O ATOM 1806 CB LYS B 158 -23.946 -0.838 1.394 1.00 1.46 C ATOM 1807 CG LYS B 158 -24.209 -1.925 2.424 1.00 1.69 C ATOM 1808 CD LYS B 158 -25.697 -2.164 2.620 1.00 2.47 C ATOM 1809 CE LYS B 158 -25.957 -3.251 3.650 1.00 3.07 C ATOM 1810 NZ LYS B 158 -25.406 -2.893 4.987 1.00 3.60 N ATOM 1811 OXT LYS B 158 -23.119 0.658 -0.799 1.00 1.64 O ATOM 0 H LYS B 158 -22.952 -2.758 0.218 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.424 -1.470 -0.032 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -22.884 -0.594 1.399 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -24.482 0.065 1.686 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -23.730 -2.851 2.106 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -23.757 -1.643 3.375 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -26.176 -1.238 2.938 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -26.149 -2.447 1.669 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -27.030 -3.422 3.734 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -25.510 -4.186 3.312 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -25.800 -3.531 5.707 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -24.370 -2.986 4.972 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -25.662 -1.912 5.217 1.00 3.60 H new TER 1825 LYS B 158