USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1195 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 GLN :FLIP amide:sc= -0.586 F(o=-4.2!,f=-0.6) USER MOD Set 1.2: A 152 ASN :FLIP amide:sc= -0.0153 F(o=-3.5,f=-0.6) USER MOD Set 2.1: A 30 CYS SG : rot 180:sc= -2.27 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.358 K(o=-1.9,f=-4.7!) USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= -0.496 USER MOD Set 3.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 115 ASN : amide:sc= 0 X(o=-0.5,f=-0.44) USER MOD Single : A 3 LYS NZ :NH3+ -136:sc= 1.22 (180deg=-0.962) USER MOD Single : A 5 GLN : amide:sc= 0.144 K(o=0.14,f=-0.46) USER MOD Single : A 7 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0197 F(o=-1.1,f=-0.02) USER MOD Single : A 14 ASN : amide:sc= -0.0669 K(o=-0.067,f=-13!) USER MOD Single : A 16 SER OG : rot 9:sc= 0.657 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.05! C(o=-3.1!,f=-6.1!) USER MOD Single : A 23 GLN : amide:sc= -1.73! C(o=-1.7!,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 21:sc= 0.183 USER MOD Single : A 35 SER OG : rot 180:sc= 0.017 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 136:sc= 0.594 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.8 K(o=-1.8,f=-7.8!) USER MOD Single : A 59 SER OG : rot 42:sc= 0.196 USER MOD Single : A 71 MET CE :methyl -170:sc= -0.0333 (180deg=-0.258) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0332 K(o=-0.033,f=-0.56) USER MOD Single : A 98 THR OG1 : rot 160:sc= 0.0261 USER MOD Single : A 99 CYS SG : rot -97:sc= 1.61 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 111 TYR OH : rot 120:sc= -0.237 USER MOD Single : A 112 TYR OH : rot 180:sc= 0.378 USER MOD Single : A 114 ASN :FLIP amide:sc= -0.194 F(o=-2.2!,f=-0.19) USER MOD Single : A 117 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00567 USER MOD Single : A 125 ASN : amide:sc= 0.0709 X(o=0.071,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -132:sc= 1.27 (180deg=0.64) USER MOD Single : A 133 SER OG : rot -31:sc= 0.875 USER MOD Single : A 134 LYS NZ :NH3+ 141:sc= 1.22 (180deg=-0.616!) USER MOD Single : A 136 GLN :FLIP amide:sc= -2.45! C(o=-3.3!,f=-2.5!) USER MOD Single : A 138 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.8) USER MOD Single : A 142 SER OG : rot 180:sc= 0.128 USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 147 THR OG1 : rot -104:sc= 0.804 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -20.423 0.860 7.269 1.00 0.91 N ATOM 19 CA ALA A 2 -19.455 0.456 6.264 1.00 0.66 C ATOM 20 C ALA A 2 -20.084 -0.519 5.279 1.00 0.57 C ATOM 21 O ALA A 2 -20.752 -1.471 5.679 1.00 0.68 O ATOM 22 CB ALA A 2 -18.236 -0.172 6.925 1.00 1.48 C ATOM 0 HA ALA A 2 -19.136 1.343 5.716 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.520 -0.470 6.159 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -17.772 0.552 7.594 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -18.543 -1.049 7.495 1.00 1.48 H new ATOM 28 N LYS A 3 -19.891 -0.268 3.994 1.00 0.46 N ATOM 29 CA LYS A 3 -20.438 -1.138 2.960 1.00 0.45 C ATOM 30 C LYS A 3 -19.370 -2.110 2.459 1.00 0.35 C ATOM 31 O LYS A 3 -19.675 -3.088 1.783 1.00 0.36 O ATOM 32 CB LYS A 3 -21.018 -0.312 1.799 1.00 0.54 C ATOM 33 CG LYS A 3 -22.342 0.378 2.128 1.00 0.82 C ATOM 34 CD LYS A 3 -22.175 1.504 3.137 1.00 0.81 C ATOM 35 CE LYS A 3 -23.512 1.991 3.685 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.377 2.593 2.638 1.00 0.98 N ATOM 0 H LYS A 3 -19.361 0.529 3.641 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.251 -1.719 3.395 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.290 0.444 1.505 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.164 -0.966 0.939 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.778 0.777 1.212 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.044 -0.357 2.521 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.550 1.161 3.961 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -21.653 2.337 2.666 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -24.037 1.155 4.147 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.332 2.727 4.469 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -24.804 3.469 3.002 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -23.805 2.810 1.797 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.129 1.922 2.381 1.00 0.98 H new ATOM 50 N VAL A 4 -18.124 -1.837 2.822 1.00 0.32 N ATOM 51 CA VAL A 4 -16.998 -2.708 2.504 1.00 0.29 C ATOM 52 C VAL A 4 -16.081 -2.813 3.713 1.00 0.33 C ATOM 53 O VAL A 4 -15.614 -1.800 4.238 1.00 0.45 O ATOM 54 CB VAL A 4 -16.187 -2.202 1.277 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.732 -2.655 1.343 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.807 -2.705 -0.015 1.00 0.27 C ATOM 0 H VAL A 4 -17.864 -1.002 3.347 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.402 -3.687 2.247 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.215 -1.113 1.298 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.195 -2.284 0.470 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.269 -2.262 2.248 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.690 -3.744 1.358 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.227 -2.341 -0.863 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.809 -3.795 -0.017 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.831 -2.340 -0.093 1.00 0.27 H new ATOM 66 N GLN A 5 -15.851 -4.030 4.169 1.00 0.30 N ATOM 67 CA GLN A 5 -14.973 -4.261 5.300 1.00 0.34 C ATOM 68 C GLN A 5 -13.841 -5.200 4.903 1.00 0.31 C ATOM 69 O GLN A 5 -14.048 -6.399 4.717 1.00 0.32 O ATOM 70 CB GLN A 5 -15.770 -4.832 6.478 1.00 0.41 C ATOM 71 CG GLN A 5 -14.948 -5.071 7.739 1.00 0.72 C ATOM 72 CD GLN A 5 -14.206 -3.835 8.213 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.738 -3.024 8.974 1.00 1.33 O ATOM 74 NE2 GLN A 5 -12.955 -3.697 7.795 1.00 1.39 N ATOM 0 H GLN A 5 -16.261 -4.875 3.772 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.536 -3.312 5.611 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.585 -4.148 6.715 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.224 -5.774 6.171 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.608 -5.418 8.534 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.229 -5.868 7.550 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -12.548 -4.389 7.165 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.399 -2.899 8.103 1.00 1.39 H new ATOM 83 N VAL A 6 -12.650 -4.640 4.735 1.00 0.32 N ATOM 84 CA VAL A 6 -11.471 -5.439 4.438 1.00 0.34 C ATOM 85 C VAL A 6 -11.102 -6.273 5.652 1.00 0.38 C ATOM 86 O VAL A 6 -11.014 -5.756 6.767 1.00 0.60 O ATOM 87 CB VAL A 6 -10.266 -4.565 4.030 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.079 -5.436 3.637 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.644 -3.624 2.894 1.00 1.32 C ATOM 0 H VAL A 6 -12.476 -3.637 4.799 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.714 -6.085 3.594 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.976 -3.961 4.889 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.240 -4.801 3.353 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.791 -6.061 4.482 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.356 -6.070 2.795 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.781 -3.017 2.622 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.965 -4.207 2.030 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.458 -2.974 3.216 1.00 1.32 H new ATOM 99 N ASN A 7 -10.901 -7.561 5.436 1.00 0.32 N ATOM 100 CA ASN A 7 -10.638 -8.483 6.529 1.00 0.36 C ATOM 101 C ASN A 7 -9.274 -9.129 6.373 1.00 0.37 C ATOM 102 O ASN A 7 -8.353 -8.861 7.140 1.00 0.46 O ATOM 103 CB ASN A 7 -11.714 -9.569 6.579 1.00 0.37 C ATOM 104 CG ASN A 7 -13.075 -9.037 6.976 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.187 -8.096 7.763 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.122 -9.640 6.431 1.00 0.53 N ATOM 0 H ASN A 7 -10.915 -7.994 4.512 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.655 -7.915 7.459 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -11.787 -10.045 5.601 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.411 -10.340 7.287 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.066 -9.328 6.659 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.984 -10.416 5.784 1.00 0.53 H new ATOM 113 N ASN A 8 -9.147 -9.964 5.354 1.00 0.33 N ATOM 114 CA ASN A 8 -7.939 -10.741 5.158 1.00 0.39 C ATOM 115 C ASN A 8 -7.082 -10.110 4.082 1.00 0.39 C ATOM 116 O ASN A 8 -7.366 -10.240 2.895 1.00 0.48 O ATOM 117 CB ASN A 8 -8.272 -12.186 4.779 1.00 0.44 C ATOM 118 CG ASN A 8 -7.042 -13.081 4.740 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.083 -12.826 5.619 1.00 1.25 O flip ATOM 120 ND2 ASN A 8 -6.967 -14.012 3.943 1.00 1.47 N flip ATOM 0 H ASN A 8 -9.869 -10.119 4.650 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.386 -10.751 6.097 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.987 -12.590 5.496 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.757 -12.199 3.803 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -7.724 -14.178 3.281 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.147 -14.619 3.943 1.00 1.47 H new ATOM 127 N VAL A 9 -6.058 -9.402 4.500 1.00 0.42 N ATOM 128 CA VAL A 9 -5.141 -8.792 3.567 1.00 0.45 C ATOM 129 C VAL A 9 -3.751 -9.403 3.727 1.00 0.50 C ATOM 130 O VAL A 9 -3.099 -9.257 4.763 1.00 0.60 O ATOM 131 CB VAL A 9 -5.109 -7.253 3.726 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.816 -6.845 5.163 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.103 -6.635 2.767 1.00 1.01 C ATOM 0 H VAL A 9 -5.840 -9.235 5.482 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.492 -8.995 2.555 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.099 -6.872 3.476 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.801 -5.758 5.237 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.590 -7.243 5.819 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.846 -7.242 5.464 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.096 -5.553 2.895 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.110 -7.032 2.977 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.382 -6.877 1.741 1.00 1.01 H new ATOM 143 N VAL A 10 -3.330 -10.138 2.716 1.00 0.52 N ATOM 144 CA VAL A 10 -2.049 -10.809 2.737 1.00 0.61 C ATOM 145 C VAL A 10 -1.067 -10.097 1.817 1.00 0.47 C ATOM 146 O VAL A 10 -1.437 -9.649 0.734 1.00 0.48 O ATOM 147 CB VAL A 10 -2.202 -12.282 2.300 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.857 -12.979 2.253 1.00 1.54 C ATOM 149 CG2 VAL A 10 -3.156 -13.021 3.227 1.00 1.24 C ATOM 0 H VAL A 10 -3.866 -10.285 1.861 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.665 -10.784 3.757 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.622 -12.292 1.294 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -0.995 -14.015 1.942 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.208 -12.470 1.541 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.400 -12.955 3.242 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.250 -14.057 2.902 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -2.768 -12.994 4.245 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -4.135 -12.542 3.199 1.00 1.24 H new ATOM 159 N VAL A 11 0.173 -9.974 2.253 1.00 0.44 N ATOM 160 CA VAL A 11 1.207 -9.369 1.435 1.00 0.39 C ATOM 161 C VAL A 11 2.048 -10.457 0.781 1.00 0.41 C ATOM 162 O VAL A 11 2.547 -11.356 1.461 1.00 0.52 O ATOM 163 CB VAL A 11 2.118 -8.451 2.269 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.134 -7.762 1.377 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.294 -7.429 3.040 1.00 0.91 C ATOM 0 H VAL A 11 0.489 -10.286 3.171 1.00 0.44 H new ATOM 0 HA VAL A 11 0.719 -8.764 0.670 1.00 0.39 H new ATOM 0 HB VAL A 11 2.656 -9.064 2.992 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.771 -7.116 1.982 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.748 -8.512 0.878 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.615 -7.162 0.630 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.958 -6.791 3.623 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.725 -6.817 2.340 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.608 -7.946 3.711 1.00 0.91 H new ATOM 175 N LEU A 12 2.196 -10.387 -0.535 1.00 0.40 N ATOM 176 CA LEU A 12 2.920 -11.411 -1.268 1.00 0.45 C ATOM 177 C LEU A 12 4.142 -10.837 -1.974 1.00 0.57 C ATOM 178 O LEU A 12 4.277 -9.620 -2.137 1.00 1.18 O ATOM 179 CB LEU A 12 2.015 -12.105 -2.290 1.00 0.50 C ATOM 180 CG LEU A 12 0.774 -12.795 -1.719 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.368 -11.807 -1.557 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.356 -13.959 -2.603 1.00 1.16 C ATOM 0 H LEU A 12 1.825 -9.633 -1.113 1.00 0.40 H new ATOM 0 HA LEU A 12 3.256 -12.146 -0.536 1.00 0.45 H new ATOM 0 HB2 LEU A 12 1.692 -11.365 -3.023 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.606 -12.847 -2.826 1.00 0.50 H new ATOM 0 HG LEU A 12 1.025 -13.185 -0.733 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.239 -12.321 -1.150 1.00 0.92 H new ATOM 0 HD12 LEU A 12 -0.066 -11.010 -0.877 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.620 -11.380 -2.528 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.528 -14.437 -2.181 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.127 -13.592 -3.604 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.169 -14.683 -2.659 1.00 1.16 H new ATOM 194 N ASP A 13 5.042 -11.746 -2.339 1.00 0.84 N ATOM 195 CA ASP A 13 6.272 -11.438 -3.080 1.00 1.01 C ATOM 196 C ASP A 13 7.264 -10.732 -2.166 1.00 0.85 C ATOM 197 O ASP A 13 8.327 -10.281 -2.584 1.00 1.01 O ATOM 198 CB ASP A 13 5.982 -10.598 -4.333 1.00 1.29 C ATOM 199 CG ASP A 13 7.107 -10.665 -5.350 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.232 -11.689 -6.045 1.00 2.73 O ATOM 201 OD2 ASP A 13 7.881 -9.689 -5.447 1.00 2.57 O ATOM 0 H ASP A 13 4.939 -12.738 -2.126 1.00 0.84 H new ATOM 0 HA ASP A 13 6.711 -12.376 -3.419 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.058 -10.946 -4.794 1.00 1.29 H new ATOM 0 HB3 ASP A 13 5.821 -9.560 -4.042 1.00 1.29 H new ATOM 206 N ASN A 14 6.897 -10.643 -0.901 1.00 0.68 N ATOM 207 CA ASN A 14 7.759 -10.069 0.112 1.00 0.63 C ATOM 208 C ASN A 14 8.475 -11.163 0.899 1.00 0.57 C ATOM 209 O ASN A 14 7.881 -12.199 1.197 1.00 0.67 O ATOM 210 CB ASN A 14 6.920 -9.215 1.055 1.00 0.78 C ATOM 211 CG ASN A 14 7.766 -8.535 2.094 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.375 -7.514 1.812 1.00 1.88 O ATOM 213 ND2 ASN A 14 7.796 -9.080 3.301 1.00 1.40 N ATOM 0 H ASN A 14 5.996 -10.966 -0.549 1.00 0.68 H new ATOM 0 HA ASN A 14 8.514 -9.452 -0.374 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.377 -8.465 0.480 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.175 -9.841 1.546 1.00 0.78 H new ATOM 0 HD21 ASN A 14 8.345 -8.646 4.043 1.00 1.40 H new ATOM 0 HD22 ASN A 14 7.270 -9.934 3.488 1.00 1.40 H new ATOM 220 N PRO A 15 9.764 -10.967 1.244 1.00 0.51 N ATOM 221 CA PRO A 15 10.577 -9.827 0.820 1.00 0.45 C ATOM 222 C PRO A 15 11.366 -10.111 -0.452 1.00 0.44 C ATOM 223 O PRO A 15 11.813 -11.236 -0.686 1.00 0.48 O ATOM 224 CB PRO A 15 11.553 -9.636 1.990 1.00 0.48 C ATOM 225 CG PRO A 15 11.343 -10.810 2.905 1.00 0.57 C ATOM 226 CD PRO A 15 10.534 -11.820 2.139 1.00 0.60 C ATOM 0 HA PRO A 15 9.959 -8.957 0.596 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.583 -9.598 1.636 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.359 -8.698 2.510 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.298 -11.234 3.214 1.00 0.57 H new ATOM 0 HG3 PRO A 15 10.821 -10.505 3.812 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.166 -12.521 1.593 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.893 -12.411 2.793 1.00 0.60 H new ATOM 234 N SER A 16 11.527 -9.090 -1.271 1.00 0.42 N ATOM 235 CA SER A 16 12.292 -9.205 -2.509 1.00 0.47 C ATOM 236 C SER A 16 12.820 -7.833 -2.923 1.00 0.45 C ATOM 237 O SER A 16 12.401 -6.823 -2.353 1.00 0.43 O ATOM 238 CB SER A 16 11.434 -9.831 -3.616 1.00 0.59 C ATOM 239 OG SER A 16 11.144 -11.190 -3.315 1.00 0.77 O ATOM 0 H SER A 16 11.137 -8.162 -1.104 1.00 0.42 H new ATOM 0 HA SER A 16 13.145 -9.863 -2.342 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.505 -9.271 -3.725 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.958 -9.768 -4.570 1.00 0.59 H new ATOM 0 HG SER A 16 11.432 -11.391 -2.400 1.00 0.77 H new ATOM 245 N PRO A 17 13.766 -7.774 -3.885 1.00 0.52 N ATOM 246 CA PRO A 17 14.318 -6.506 -4.378 1.00 0.52 C ATOM 247 C PRO A 17 13.233 -5.496 -4.744 1.00 0.48 C ATOM 248 O PRO A 17 12.297 -5.827 -5.453 1.00 0.58 O ATOM 249 CB PRO A 17 15.104 -6.918 -5.623 1.00 0.60 C ATOM 250 CG PRO A 17 15.493 -8.333 -5.375 1.00 0.83 C ATOM 251 CD PRO A 17 14.382 -8.937 -4.559 1.00 0.63 C ATOM 0 HA PRO A 17 14.922 -6.008 -3.620 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.496 -6.827 -6.523 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.980 -6.286 -5.765 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.623 -8.871 -6.314 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.442 -8.388 -4.842 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.663 -9.461 -5.188 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.763 -9.661 -3.839 1.00 0.63 H new ATOM 259 N PHE A 18 13.405 -4.274 -4.249 1.00 0.41 N ATOM 260 CA PHE A 18 12.468 -3.148 -4.415 1.00 0.37 C ATOM 261 C PHE A 18 11.814 -3.039 -5.806 1.00 0.36 C ATOM 262 O PHE A 18 10.687 -2.558 -5.917 1.00 0.37 O ATOM 263 CB PHE A 18 13.223 -1.850 -4.073 1.00 0.38 C ATOM 264 CG PHE A 18 12.689 -0.606 -4.730 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.600 0.058 -4.186 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.262 -0.108 -5.888 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.096 1.197 -4.778 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.761 1.034 -6.487 1.00 0.36 C ATOM 269 CZ PHE A 18 11.729 1.696 -5.958 1.00 0.37 C ATOM 0 H PHE A 18 14.227 -4.023 -3.700 1.00 0.41 H new ATOM 0 HA PHE A 18 11.632 -3.326 -3.738 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.200 -1.709 -2.992 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.268 -1.971 -4.357 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.140 -0.322 -3.286 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.108 -0.616 -6.328 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.239 1.702 -4.358 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.213 1.397 -7.399 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.374 2.605 -6.420 1.00 0.37 H new ATOM 279 N TYR A 19 12.497 -3.479 -6.857 1.00 0.38 N ATOM 280 CA TYR A 19 11.953 -3.370 -8.214 1.00 0.41 C ATOM 281 C TYR A 19 10.845 -4.390 -8.463 1.00 0.44 C ATOM 282 O TYR A 19 10.318 -4.497 -9.574 1.00 0.52 O ATOM 283 CB TYR A 19 13.057 -3.530 -9.259 1.00 0.45 C ATOM 284 CG TYR A 19 13.913 -2.298 -9.425 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.557 -1.292 -10.311 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.082 -2.140 -8.689 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.338 -0.163 -10.459 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.867 -1.013 -8.831 1.00 0.64 C ATOM 289 CZ TYR A 19 15.486 -0.028 -9.743 1.00 0.57 C ATOM 290 OH TYR A 19 16.267 1.102 -9.861 1.00 0.65 O ATOM 0 H TYR A 19 13.419 -3.911 -6.802 1.00 0.38 H new ATOM 0 HA TYR A 19 11.521 -2.374 -8.307 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.693 -4.369 -8.978 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.604 -3.780 -10.219 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.654 -1.393 -10.895 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.381 -2.911 -7.995 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.036 0.615 -11.145 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.765 -0.895 -8.243 1.00 0.64 H new ATOM 0 HH TYR A 19 17.047 1.023 -9.273 1.00 0.65 H new ATOM 300 N ASN A 20 10.495 -5.133 -7.429 1.00 0.44 N ATOM 301 CA ASN A 20 9.433 -6.117 -7.511 1.00 0.48 C ATOM 302 C ASN A 20 8.074 -5.454 -7.291 1.00 0.42 C ATOM 303 O ASN A 20 7.950 -4.496 -6.525 1.00 0.52 O ATOM 304 CB ASN A 20 9.662 -7.236 -6.487 1.00 0.61 C ATOM 305 CG ASN A 20 9.503 -6.789 -5.041 1.00 1.03 C ATOM 306 OD1 ASN A 20 9.725 -5.630 -4.686 1.00 2.07 O ATOM 307 ND2 ASN A 20 9.113 -7.714 -4.188 1.00 0.69 N ATOM 0 H ASN A 20 10.938 -5.071 -6.512 1.00 0.44 H new ATOM 0 HA ASN A 20 9.442 -6.557 -8.508 1.00 0.48 H new ATOM 0 HB2 ASN A 20 8.961 -8.046 -6.686 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.665 -7.641 -6.624 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.987 -7.479 -3.203 1.00 0.69 H new ATOM 0 HD22 ASN A 20 8.937 -8.665 -4.512 1.00 0.69 H new ATOM 314 N PRO A 21 7.034 -5.954 -7.966 1.00 0.41 N ATOM 315 CA PRO A 21 5.696 -5.371 -7.897 1.00 0.38 C ATOM 316 C PRO A 21 5.054 -5.574 -6.529 1.00 0.35 C ATOM 317 O PRO A 21 5.093 -6.675 -5.973 1.00 0.42 O ATOM 318 CB PRO A 21 4.900 -6.125 -8.974 1.00 0.44 C ATOM 319 CG PRO A 21 5.905 -6.909 -9.752 1.00 0.62 C ATOM 320 CD PRO A 21 7.070 -7.133 -8.835 1.00 0.57 C ATOM 0 HA PRO A 21 5.721 -4.293 -8.054 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.157 -6.782 -8.522 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.362 -5.431 -9.619 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.484 -7.858 -10.084 1.00 0.62 H new ATOM 0 HG3 PRO A 21 6.213 -6.367 -10.646 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.965 -8.057 -8.267 1.00 0.57 H new ATOM 0 HD3 PRO A 21 8.009 -7.202 -9.384 1.00 0.57 H new ATOM 328 N PHE A 22 4.485 -4.508 -5.973 1.00 0.33 N ATOM 329 CA PHE A 22 3.771 -4.605 -4.707 1.00 0.34 C ATOM 330 C PHE A 22 2.538 -5.474 -4.876 1.00 0.33 C ATOM 331 O PHE A 22 1.542 -5.058 -5.467 1.00 0.41 O ATOM 332 CB PHE A 22 3.396 -3.221 -4.169 1.00 0.37 C ATOM 333 CG PHE A 22 4.519 -2.553 -3.427 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.737 -2.807 -2.082 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.354 -1.656 -4.078 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.763 -2.180 -1.403 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.382 -1.028 -3.402 1.00 0.57 C ATOM 338 CZ PHE A 22 6.606 -1.342 -2.045 1.00 0.58 C ATOM 0 H PHE A 22 4.505 -3.572 -6.378 1.00 0.33 H new ATOM 0 HA PHE A 22 4.432 -5.068 -3.974 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.089 -2.586 -5.000 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.536 -3.316 -3.506 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.097 -3.503 -1.559 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.198 -1.446 -5.126 1.00 0.49 H new ATOM 0 HE1 PHE A 22 5.893 -2.362 -0.346 1.00 0.53 H new ATOM 0 HE2 PHE A 22 7.007 -0.305 -3.906 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.448 -0.914 -1.521 1.00 0.58 H new ATOM 348 N GLN A 23 2.637 -6.692 -4.372 1.00 0.31 N ATOM 349 CA GLN A 23 1.606 -7.693 -4.554 1.00 0.34 C ATOM 350 C GLN A 23 0.837 -7.918 -3.260 1.00 0.33 C ATOM 351 O GLN A 23 1.404 -8.328 -2.246 1.00 0.38 O ATOM 352 CB GLN A 23 2.252 -8.991 -5.038 1.00 0.45 C ATOM 353 CG GLN A 23 1.300 -10.169 -5.132 1.00 0.97 C ATOM 354 CD GLN A 23 1.929 -11.367 -5.816 1.00 0.90 C ATOM 355 OE1 GLN A 23 1.581 -12.512 -5.535 1.00 1.41 O ATOM 356 NE2 GLN A 23 2.860 -11.113 -6.718 1.00 1.13 N ATOM 0 H GLN A 23 3.436 -7.013 -3.825 1.00 0.31 H new ATOM 0 HA GLN A 23 0.893 -7.346 -5.302 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.695 -8.818 -6.019 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.067 -9.251 -4.362 1.00 0.45 H new ATOM 0 HG2 GLN A 23 0.978 -10.453 -4.130 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.407 -9.868 -5.680 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.121 -10.149 -6.924 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.317 -11.881 -7.209 1.00 1.13 H new ATOM 365 N PHE A 24 -0.450 -7.631 -3.304 1.00 0.31 N ATOM 366 CA PHE A 24 -1.321 -7.813 -2.155 1.00 0.33 C ATOM 367 C PHE A 24 -2.492 -8.712 -2.517 1.00 0.36 C ATOM 368 O PHE A 24 -2.964 -8.695 -3.650 1.00 0.50 O ATOM 369 CB PHE A 24 -1.860 -6.465 -1.665 1.00 0.31 C ATOM 370 CG PHE A 24 -0.822 -5.553 -1.075 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.064 -4.736 -1.894 1.00 0.32 C ATOM 372 CD2 PHE A 24 -0.590 -5.529 0.290 1.00 0.31 C ATOM 373 CE1 PHE A 24 0.906 -3.906 -1.362 1.00 0.32 C ATOM 374 CE2 PHE A 24 0.380 -4.706 0.828 1.00 0.31 C ATOM 375 CZ PHE A 24 1.065 -3.837 0.031 1.00 0.30 C ATOM 0 H PHE A 24 -0.921 -7.267 -4.132 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.735 -8.276 -1.361 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.340 -5.955 -2.500 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.632 -6.647 -0.917 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.231 -4.746 -2.961 1.00 0.32 H new ATOM 0 HD2 PHE A 24 -1.175 -6.161 0.942 1.00 0.31 H new ATOM 0 HE1 PHE A 24 1.535 -3.316 -2.012 1.00 0.32 H new ATOM 0 HE2 PHE A 24 0.597 -4.751 1.885 1.00 0.31 H new ATOM 0 HZ PHE A 24 1.724 -3.102 0.468 1.00 0.30 H new ATOM 385 N GLU A 25 -2.950 -9.494 -1.562 1.00 0.31 N ATOM 386 CA GLU A 25 -4.156 -10.277 -1.732 1.00 0.34 C ATOM 387 C GLU A 25 -5.185 -9.759 -0.746 1.00 0.32 C ATOM 388 O GLU A 25 -5.086 -9.994 0.461 1.00 0.35 O ATOM 389 CB GLU A 25 -3.875 -11.771 -1.528 1.00 0.43 C ATOM 390 CG GLU A 25 -4.969 -12.687 -2.061 1.00 0.97 C ATOM 391 CD GLU A 25 -6.109 -12.894 -1.080 1.00 1.43 C ATOM 392 OE1 GLU A 25 -7.069 -12.097 -1.091 1.00 1.98 O ATOM 393 OE2 GLU A 25 -6.051 -13.877 -0.310 1.00 1.72 O ATOM 0 H GLU A 25 -2.501 -9.605 -0.653 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.537 -10.174 -2.748 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.934 -12.023 -2.017 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.742 -11.963 -0.463 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.366 -12.268 -2.986 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.534 -13.654 -2.311 1.00 0.97 H new ATOM 400 N ILE A 26 -6.134 -9.004 -1.262 1.00 0.30 N ATOM 401 CA ILE A 26 -7.093 -8.303 -0.433 1.00 0.30 C ATOM 402 C ILE A 26 -8.460 -8.975 -0.471 1.00 0.29 C ATOM 403 O ILE A 26 -9.170 -8.912 -1.476 1.00 0.32 O ATOM 404 CB ILE A 26 -7.247 -6.840 -0.898 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.874 -6.175 -1.027 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.129 -6.064 0.071 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.907 -4.858 -1.771 1.00 0.29 C ATOM 0 H ILE A 26 -6.262 -8.860 -2.264 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.712 -8.329 0.588 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.726 -6.835 -1.877 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.464 -6.010 -0.030 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.196 -6.856 -1.541 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.227 -5.034 -0.272 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.115 -6.527 0.116 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.677 -6.075 1.063 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.900 -4.445 -1.824 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.286 -5.020 -2.780 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.559 -4.160 -1.246 1.00 0.29 H new ATOM 419 N THR A 27 -8.817 -9.632 0.619 1.00 0.31 N ATOM 420 CA THR A 27 -10.161 -10.139 0.780 1.00 0.30 C ATOM 421 C THR A 27 -10.988 -9.157 1.605 1.00 0.27 C ATOM 422 O THR A 27 -10.812 -9.034 2.826 1.00 0.29 O ATOM 423 CB THR A 27 -10.163 -11.524 1.455 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.346 -12.432 0.705 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.578 -12.083 1.564 1.00 0.34 C ATOM 0 H THR A 27 -8.193 -9.825 1.403 1.00 0.31 H new ATOM 0 HA THR A 27 -10.603 -10.248 -0.211 1.00 0.30 H new ATOM 0 HB THR A 27 -9.760 -11.410 2.461 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.720 -11.925 0.148 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.547 -13.061 2.044 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.192 -11.406 2.158 1.00 0.34 H new ATOM 0 HG23 THR A 27 -12.008 -12.182 0.567 1.00 0.34 H new ATOM 433 N PHE A 28 -11.879 -8.449 0.930 1.00 0.23 N ATOM 434 CA PHE A 28 -12.745 -7.490 1.577 1.00 0.22 C ATOM 435 C PHE A 28 -14.185 -7.942 1.434 1.00 0.21 C ATOM 436 O PHE A 28 -14.596 -8.410 0.372 1.00 0.20 O ATOM 437 CB PHE A 28 -12.554 -6.092 0.973 1.00 0.21 C ATOM 438 CG PHE A 28 -12.936 -5.989 -0.477 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.081 -6.451 -1.461 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.151 -5.441 -0.852 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.426 -6.364 -2.793 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.502 -5.353 -2.184 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.643 -5.780 -3.152 1.00 0.28 C ATOM 0 H PHE A 28 -12.018 -8.526 -0.078 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.489 -7.432 2.635 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.146 -5.378 1.545 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.510 -5.801 1.083 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.132 -6.885 -1.183 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.831 -5.079 -0.095 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.760 -6.745 -3.553 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.462 -4.944 -2.461 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.903 -5.667 -4.194 1.00 0.28 H new ATOM 453 N GLU A 29 -14.940 -7.823 2.498 1.00 0.22 N ATOM 454 CA GLU A 29 -16.302 -8.299 2.503 1.00 0.23 C ATOM 455 C GLU A 29 -17.261 -7.127 2.432 1.00 0.25 C ATOM 456 O GLU A 29 -17.302 -6.283 3.329 1.00 0.29 O ATOM 457 CB GLU A 29 -16.542 -9.140 3.754 1.00 0.26 C ATOM 458 CG GLU A 29 -17.857 -9.892 3.764 1.00 0.33 C ATOM 459 CD GLU A 29 -17.953 -10.831 4.945 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.098 -11.735 5.061 1.00 0.67 O ATOM 461 OE2 GLU A 29 -18.864 -10.650 5.778 1.00 0.77 O ATOM 0 H GLU A 29 -14.634 -7.400 3.374 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.477 -8.926 1.629 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.727 -9.857 3.856 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.504 -8.488 4.627 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.683 -9.181 3.796 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -17.960 -10.459 2.839 1.00 0.33 H new ATOM 468 N CYS A 30 -18.003 -7.059 1.344 1.00 0.24 N ATOM 469 CA CYS A 30 -18.999 -6.027 1.179 1.00 0.28 C ATOM 470 C CYS A 30 -20.200 -6.345 2.049 1.00 0.33 C ATOM 471 O CYS A 30 -20.881 -7.353 1.844 1.00 0.35 O ATOM 472 CB CYS A 30 -19.419 -5.911 -0.284 1.00 0.29 C ATOM 473 SG CYS A 30 -18.058 -5.550 -1.418 1.00 0.51 S ATOM 0 H CYS A 30 -17.932 -7.709 0.561 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.574 -5.071 1.484 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.894 -6.843 -0.589 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.170 -5.126 -0.374 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.514 -5.473 -2.633 1.00 0.51 H new ATOM 479 N ILE A 31 -20.432 -5.499 3.034 1.00 0.39 N ATOM 480 CA ILE A 31 -21.530 -5.684 3.959 1.00 0.45 C ATOM 481 C ILE A 31 -22.829 -5.323 3.260 1.00 0.48 C ATOM 482 O ILE A 31 -23.879 -5.915 3.510 1.00 0.53 O ATOM 483 CB ILE A 31 -21.346 -4.808 5.216 1.00 0.49 C ATOM 484 CG1 ILE A 31 -19.938 -5.008 5.792 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.405 -5.140 6.257 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.656 -4.186 7.034 1.00 0.52 C ATOM 0 H ILE A 31 -19.867 -4.669 3.214 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.555 -6.726 4.277 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.463 -3.761 4.936 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.800 -6.063 6.028 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.204 -4.754 5.027 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.260 -4.513 7.137 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.395 -4.957 5.840 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.320 -6.189 6.541 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.641 -4.384 7.379 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.760 -3.126 6.800 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.364 -4.456 7.817 1.00 0.52 H new ATOM 498 N GLU A 32 -22.721 -4.364 2.353 1.00 0.49 N ATOM 499 CA GLU A 32 -23.843 -3.913 1.552 1.00 0.53 C ATOM 500 C GLU A 32 -23.456 -3.976 0.080 1.00 0.52 C ATOM 501 O GLU A 32 -22.281 -4.152 -0.246 1.00 0.51 O ATOM 502 CB GLU A 32 -24.213 -2.471 1.910 1.00 0.60 C ATOM 503 CG GLU A 32 -24.462 -2.227 3.391 1.00 0.84 C ATOM 504 CD GLU A 32 -25.760 -2.827 3.884 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.821 -2.211 3.669 1.00 1.53 O ATOM 506 OE2 GLU A 32 -25.724 -3.902 4.511 1.00 1.83 O ATOM 0 H GLU A 32 -21.848 -3.876 2.153 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.701 -4.556 1.749 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.412 -1.811 1.577 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.108 -2.191 1.354 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -23.635 -2.644 3.965 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.471 -1.153 3.579 1.00 0.84 H new ATOM 513 N ASP A 33 -24.433 -3.841 -0.801 1.00 0.62 N ATOM 514 CA ASP A 33 -24.161 -3.766 -2.231 1.00 0.65 C ATOM 515 C ASP A 33 -23.844 -2.332 -2.618 1.00 0.65 C ATOM 516 O ASP A 33 -24.648 -1.429 -2.390 1.00 0.79 O ATOM 517 CB ASP A 33 -25.354 -4.262 -3.053 1.00 0.76 C ATOM 518 CG ASP A 33 -25.616 -5.743 -2.881 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.918 -6.549 -3.524 1.00 2.01 O ATOM 520 OD2 ASP A 33 -26.513 -6.105 -2.092 1.00 2.18 O ATOM 0 H ASP A 33 -25.421 -3.781 -0.554 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.307 -4.408 -2.445 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -26.245 -3.705 -2.763 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.175 -4.050 -4.107 1.00 0.76 H new ATOM 525 N LEU A 34 -22.672 -2.119 -3.191 1.00 0.57 N ATOM 526 CA LEU A 34 -22.278 -0.789 -3.619 1.00 0.57 C ATOM 527 C LEU A 34 -22.730 -0.569 -5.053 1.00 0.64 C ATOM 528 O LEU A 34 -22.553 -1.440 -5.904 1.00 0.71 O ATOM 529 CB LEU A 34 -20.758 -0.586 -3.504 1.00 0.55 C ATOM 530 CG LEU A 34 -20.197 -0.481 -2.076 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.261 -1.815 -1.350 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.767 0.033 -2.106 1.00 1.41 C ATOM 0 H LEU A 34 -21.980 -2.847 -3.370 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.756 -0.060 -2.965 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.262 -1.416 -4.008 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.491 0.321 -4.045 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.819 0.227 -1.528 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.856 -1.702 -0.344 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.298 -2.146 -1.289 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.675 -2.555 -1.896 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.384 0.102 -1.088 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.146 -0.653 -2.682 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.745 1.019 -2.570 1.00 1.41 H new ATOM 544 N SER A 35 -23.333 0.576 -5.313 1.00 0.75 N ATOM 545 CA SER A 35 -23.842 0.889 -6.639 1.00 0.89 C ATOM 546 C SER A 35 -22.841 1.730 -7.424 1.00 0.75 C ATOM 547 O SER A 35 -23.083 2.088 -8.578 1.00 0.92 O ATOM 548 CB SER A 35 -25.176 1.626 -6.511 1.00 1.14 C ATOM 549 OG SER A 35 -25.120 2.595 -5.475 1.00 1.55 O ATOM 0 H SER A 35 -23.484 1.310 -4.621 1.00 0.75 H new ATOM 0 HA SER A 35 -23.995 -0.042 -7.186 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.420 2.111 -7.456 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.973 0.912 -6.304 1.00 1.14 H new ATOM 0 HG SER A 35 -25.983 3.056 -5.411 1.00 1.55 H new ATOM 555 N GLU A 36 -21.709 2.026 -6.801 1.00 0.61 N ATOM 556 CA GLU A 36 -20.722 2.913 -7.394 1.00 0.51 C ATOM 557 C GLU A 36 -19.317 2.328 -7.286 1.00 0.44 C ATOM 558 O GLU A 36 -19.115 1.286 -6.656 1.00 0.53 O ATOM 559 CB GLU A 36 -20.838 4.289 -6.741 1.00 0.63 C ATOM 560 CG GLU A 36 -22.091 5.017 -7.195 1.00 1.48 C ATOM 561 CD GLU A 36 -22.295 6.334 -6.504 1.00 2.16 C ATOM 562 OE1 GLU A 36 -21.765 7.354 -6.993 1.00 2.46 O ATOM 563 OE2 GLU A 36 -22.994 6.362 -5.473 1.00 2.95 O ATOM 0 H GLU A 36 -21.452 1.663 -5.883 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.917 3.022 -8.461 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.853 4.178 -5.657 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.960 4.885 -6.988 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -22.037 5.183 -8.271 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -22.958 4.381 -7.014 1.00 1.48 H new ATOM 570 N ASP A 37 -18.357 2.991 -7.918 1.00 0.37 N ATOM 571 CA ASP A 37 -17.015 2.442 -8.079 1.00 0.36 C ATOM 572 C ASP A 37 -16.163 2.622 -6.828 1.00 0.35 C ATOM 573 O ASP A 37 -16.188 3.670 -6.180 1.00 0.50 O ATOM 574 CB ASP A 37 -16.312 3.084 -9.283 1.00 0.49 C ATOM 575 CG ASP A 37 -16.016 4.560 -9.084 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.922 5.395 -9.307 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.874 4.900 -8.720 1.00 1.88 O ATOM 0 H ASP A 37 -18.483 3.915 -8.330 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.129 1.372 -8.251 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.378 2.555 -9.475 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.936 2.961 -10.168 1.00 0.49 H new ATOM 582 N LEU A 38 -15.426 1.576 -6.491 1.00 0.30 N ATOM 583 CA LEU A 38 -14.470 1.617 -5.392 1.00 0.31 C ATOM 584 C LEU A 38 -13.064 1.808 -5.960 1.00 0.28 C ATOM 585 O LEU A 38 -12.594 0.983 -6.745 1.00 0.29 O ATOM 586 CB LEU A 38 -14.532 0.307 -4.592 1.00 0.39 C ATOM 587 CG LEU A 38 -14.206 0.401 -3.092 1.00 0.42 C ATOM 588 CD1 LEU A 38 -12.856 1.055 -2.845 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.301 1.149 -2.355 1.00 1.32 C ATOM 0 H LEU A 38 -15.472 0.676 -6.969 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.715 2.446 -4.728 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.534 -0.110 -4.698 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.842 -0.403 -5.047 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.152 -0.617 -2.706 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -12.665 1.102 -1.773 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.074 0.469 -3.328 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.860 2.064 -3.257 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.053 1.206 -1.295 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.390 2.157 -2.761 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.248 0.623 -2.479 1.00 1.32 H new ATOM 601 N GLU A 39 -12.403 2.887 -5.567 1.00 0.30 N ATOM 602 CA GLU A 39 -11.063 3.180 -6.056 1.00 0.32 C ATOM 603 C GLU A 39 -10.005 2.709 -5.063 1.00 0.31 C ATOM 604 O GLU A 39 -9.826 3.304 -4.000 1.00 0.43 O ATOM 605 CB GLU A 39 -10.913 4.682 -6.325 1.00 0.42 C ATOM 606 CG GLU A 39 -9.530 5.083 -6.821 1.00 0.50 C ATOM 607 CD GLU A 39 -9.462 6.533 -7.252 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.363 7.412 -6.372 1.00 0.73 O ATOM 609 OE2 GLU A 39 -9.510 6.804 -8.466 1.00 0.92 O ATOM 0 H GLU A 39 -12.773 3.575 -4.911 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.915 2.639 -6.991 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.655 4.985 -7.063 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.133 5.229 -5.408 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.800 4.909 -6.030 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.250 4.445 -7.660 1.00 0.50 H new ATOM 616 N TRP A 40 -9.330 1.620 -5.405 1.00 0.24 N ATOM 617 CA TRP A 40 -8.240 1.103 -4.591 1.00 0.23 C ATOM 618 C TRP A 40 -6.911 1.649 -5.100 1.00 0.24 C ATOM 619 O TRP A 40 -6.467 1.296 -6.189 1.00 0.28 O ATOM 620 CB TRP A 40 -8.210 -0.432 -4.639 1.00 0.24 C ATOM 621 CG TRP A 40 -9.460 -1.092 -4.133 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.658 -1.189 -4.782 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.629 -1.768 -2.880 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.564 -1.870 -4.005 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.955 -2.237 -2.835 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.789 -2.021 -1.791 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.459 -2.940 -1.744 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.291 -2.722 -0.711 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.616 -3.175 -0.696 1.00 0.40 C ATOM 0 H TRP A 40 -9.520 1.075 -6.246 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.399 1.422 -3.561 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.038 -0.748 -5.668 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.363 -0.785 -4.051 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.863 -0.788 -5.764 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.532 -2.069 -4.258 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.766 -1.675 -1.794 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.481 -3.287 -1.727 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.651 -2.924 0.135 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.978 -3.721 0.162 1.00 0.40 H new ATOM 640 N LYS A 41 -6.283 2.518 -4.331 1.00 0.25 N ATOM 641 CA LYS A 41 -4.982 3.052 -4.706 1.00 0.25 C ATOM 642 C LYS A 41 -3.901 2.534 -3.777 1.00 0.23 C ATOM 643 O LYS A 41 -4.134 2.349 -2.588 1.00 0.27 O ATOM 644 CB LYS A 41 -4.981 4.584 -4.665 1.00 0.37 C ATOM 645 CG LYS A 41 -5.525 5.249 -5.916 1.00 0.63 C ATOM 646 CD LYS A 41 -5.402 6.762 -5.821 1.00 0.65 C ATOM 647 CE LYS A 41 -5.927 7.448 -7.073 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.022 8.921 -6.902 1.00 1.23 N ATOM 0 H LYS A 41 -6.648 2.870 -3.446 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.777 2.721 -5.724 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.571 4.912 -3.809 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -3.960 4.929 -4.500 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -4.981 4.890 -6.790 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.570 4.973 -6.055 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.955 7.118 -4.952 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.358 7.033 -5.668 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.270 7.222 -7.913 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.910 7.048 -7.321 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -6.384 9.350 -7.778 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.669 9.138 -6.117 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.080 9.307 -6.691 1.00 1.23 H new ATOM 662 N ILE A 42 -2.722 2.284 -4.319 1.00 0.22 N ATOM 663 CA ILE A 42 -1.566 2.031 -3.482 1.00 0.24 C ATOM 664 C ILE A 42 -0.661 3.249 -3.499 1.00 0.25 C ATOM 665 O ILE A 42 0.077 3.484 -4.459 1.00 0.31 O ATOM 666 CB ILE A 42 -0.756 0.782 -3.895 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.606 -0.484 -3.742 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.512 0.674 -3.054 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.802 -1.767 -3.817 1.00 0.46 C ATOM 0 H ILE A 42 -2.542 2.251 -5.322 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.945 1.833 -2.479 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.473 0.883 -4.943 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.128 -0.448 -2.786 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.368 -0.496 -4.521 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.074 -0.210 -3.355 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.125 1.562 -3.205 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.244 0.593 -2.001 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.469 -2.621 -3.701 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.301 -1.826 -4.783 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.057 -1.777 -3.021 1.00 0.46 H new ATOM 681 N ILE A 43 -0.766 4.044 -2.454 1.00 0.24 N ATOM 682 CA ILE A 43 0.054 5.224 -2.303 1.00 0.27 C ATOM 683 C ILE A 43 1.249 4.901 -1.419 1.00 0.26 C ATOM 684 O ILE A 43 1.110 4.706 -0.213 1.00 0.30 O ATOM 685 CB ILE A 43 -0.745 6.395 -1.689 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.967 6.717 -2.555 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.138 7.624 -1.542 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.820 7.842 -2.006 1.00 0.69 C ATOM 0 H ILE A 43 -1.421 3.889 -1.688 1.00 0.24 H new ATOM 0 HA ILE A 43 0.393 5.531 -3.293 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.088 6.097 -0.698 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.632 6.983 -3.558 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.580 5.821 -2.651 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.442 8.439 -1.108 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.980 7.391 -0.891 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.509 7.925 -2.522 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.666 8.014 -2.671 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.186 7.571 -1.016 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.222 8.751 -1.936 1.00 0.69 H new ATOM 700 N TYR A 44 2.412 4.801 -2.030 1.00 0.29 N ATOM 701 CA TYR A 44 3.631 4.520 -1.293 1.00 0.29 C ATOM 702 C TYR A 44 4.216 5.825 -0.769 1.00 0.28 C ATOM 703 O TYR A 44 4.172 6.841 -1.460 1.00 0.33 O ATOM 704 CB TYR A 44 4.629 3.795 -2.205 1.00 0.32 C ATOM 705 CG TYR A 44 5.900 3.341 -1.518 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.940 2.159 -0.789 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.054 4.109 -1.578 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.094 1.754 -0.145 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.210 3.713 -0.935 1.00 0.45 C ATOM 710 CZ TYR A 44 8.243 2.483 -0.287 1.00 0.49 C ATOM 711 OH TYR A 44 9.378 2.140 0.423 1.00 0.59 O ATOM 0 H TYR A 44 2.541 4.910 -3.036 1.00 0.29 H new ATOM 0 HA TYR A 44 3.412 3.873 -0.444 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.137 2.925 -2.640 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.894 4.457 -3.029 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.053 1.546 -0.724 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.048 5.033 -2.137 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.089 0.865 0.468 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.080 4.352 -0.935 1.00 0.45 H new ATOM 0 HH TYR A 44 10.102 2.762 0.202 1.00 0.59 H new ATOM 721 N VAL A 45 4.727 5.804 0.460 1.00 0.27 N ATOM 722 CA VAL A 45 5.344 6.987 1.050 1.00 0.28 C ATOM 723 C VAL A 45 6.543 7.425 0.229 1.00 0.30 C ATOM 724 O VAL A 45 7.537 6.705 0.125 1.00 0.36 O ATOM 725 CB VAL A 45 5.789 6.743 2.508 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.592 7.920 3.041 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.589 6.490 3.395 1.00 0.34 C ATOM 0 H VAL A 45 4.726 4.982 1.064 1.00 0.27 H new ATOM 0 HA VAL A 45 4.588 7.772 1.051 1.00 0.28 H new ATOM 0 HB VAL A 45 6.428 5.860 2.517 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.892 7.720 4.070 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.480 8.063 2.425 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.980 8.822 3.010 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.923 6.320 4.419 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.927 7.356 3.368 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.052 5.611 3.038 1.00 0.34 H new ATOM 737 N GLY A 46 6.434 8.600 -0.360 1.00 0.32 N ATOM 738 CA GLY A 46 7.495 9.108 -1.194 1.00 0.39 C ATOM 739 C GLY A 46 8.729 9.463 -0.402 1.00 0.41 C ATOM 740 O GLY A 46 9.832 9.044 -0.742 1.00 0.47 O ATOM 0 H GLY A 46 5.624 9.215 -0.275 1.00 0.32 H new ATOM 0 HA2 GLY A 46 7.751 8.362 -1.946 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.143 9.991 -1.728 1.00 0.39 H new ATOM 744 N SER A 47 8.553 10.245 0.651 1.00 0.43 N ATOM 745 CA SER A 47 9.670 10.650 1.476 1.00 0.48 C ATOM 746 C SER A 47 9.282 10.707 2.948 1.00 0.51 C ATOM 747 O SER A 47 8.225 11.220 3.296 1.00 0.49 O ATOM 748 CB SER A 47 10.162 12.028 1.032 1.00 0.53 C ATOM 749 OG SER A 47 10.481 12.046 -0.349 1.00 1.23 O ATOM 0 H SER A 47 7.648 10.609 0.951 1.00 0.43 H new ATOM 0 HA SER A 47 10.462 9.910 1.357 1.00 0.48 H new ATOM 0 HB2 SER A 47 9.394 12.774 1.239 1.00 0.53 H new ATOM 0 HB3 SER A 47 11.041 12.306 1.613 1.00 0.53 H new ATOM 0 HG SER A 47 10.121 12.861 -0.757 1.00 1.23 H new ATOM 755 N ALA A 48 10.130 10.164 3.811 1.00 0.62 N ATOM 756 CA ALA A 48 10.012 10.427 5.240 1.00 0.70 C ATOM 757 C ALA A 48 10.503 11.838 5.531 1.00 0.75 C ATOM 758 O ALA A 48 10.180 12.428 6.559 1.00 0.82 O ATOM 759 CB ALA A 48 10.799 9.414 6.055 1.00 0.81 C ATOM 0 H ALA A 48 10.899 9.546 3.552 1.00 0.62 H new ATOM 0 HA ALA A 48 8.965 10.336 5.527 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.691 9.638 7.116 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.419 8.412 5.855 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.852 9.465 5.779 1.00 0.81 H new ATOM 765 N GLU A 49 11.295 12.362 4.601 1.00 0.75 N ATOM 766 CA GLU A 49 11.786 13.729 4.678 1.00 0.83 C ATOM 767 C GLU A 49 10.606 14.691 4.547 1.00 0.82 C ATOM 768 O GLU A 49 10.438 15.607 5.349 1.00 0.93 O ATOM 769 CB GLU A 49 12.819 13.961 3.571 1.00 0.90 C ATOM 770 CG GLU A 49 13.652 15.218 3.745 1.00 1.06 C ATOM 771 CD GLU A 49 14.838 15.254 2.804 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.802 14.491 3.030 1.00 1.99 O ATOM 773 OE2 GLU A 49 14.816 16.042 1.838 1.00 1.96 O ATOM 0 H GLU A 49 11.612 11.852 3.777 1.00 0.75 H new ATOM 0 HA GLU A 49 12.271 13.906 5.638 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.487 13.100 3.527 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.302 14.012 2.613 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.026 16.093 3.571 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.005 15.278 4.774 1.00 1.06 H new ATOM 780 N SER A 50 9.785 14.459 3.530 1.00 0.74 N ATOM 781 CA SER A 50 8.501 15.120 3.407 1.00 0.79 C ATOM 782 C SER A 50 7.506 14.133 2.828 1.00 0.75 C ATOM 783 O SER A 50 7.635 13.704 1.681 1.00 1.26 O ATOM 784 CB SER A 50 8.597 16.370 2.531 1.00 0.96 C ATOM 785 OG SER A 50 7.318 16.940 2.313 1.00 1.72 O ATOM 0 H SER A 50 9.994 13.809 2.772 1.00 0.74 H new ATOM 0 HA SER A 50 8.170 15.448 4.392 1.00 0.79 H new ATOM 0 HB2 SER A 50 9.249 17.103 3.007 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.052 16.113 1.574 1.00 0.96 H new ATOM 0 HG SER A 50 7.407 17.738 1.752 1.00 1.72 H new ATOM 791 N GLU A 51 6.519 13.758 3.621 1.00 0.78 N ATOM 792 CA GLU A 51 5.628 12.672 3.249 1.00 0.71 C ATOM 793 C GLU A 51 4.560 13.121 2.247 1.00 0.74 C ATOM 794 O GLU A 51 3.519 12.490 2.125 1.00 0.80 O ATOM 795 CB GLU A 51 4.975 12.075 4.499 1.00 0.85 C ATOM 796 CG GLU A 51 4.207 13.083 5.341 1.00 1.46 C ATOM 797 CD GLU A 51 3.531 12.443 6.541 1.00 1.68 C ATOM 798 OE1 GLU A 51 2.525 11.725 6.358 1.00 2.09 O ATOM 799 OE2 GLU A 51 4.009 12.649 7.677 1.00 2.02 O ATOM 0 H GLU A 51 6.314 14.187 4.523 1.00 0.78 H new ATOM 0 HA GLU A 51 6.228 11.907 2.757 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.295 11.279 4.196 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.748 11.617 5.116 1.00 0.85 H new ATOM 0 HG2 GLU A 51 4.890 13.860 5.684 1.00 1.46 H new ATOM 0 HG3 GLU A 51 3.455 13.571 4.721 1.00 1.46 H new ATOM 806 N GLU A 52 4.819 14.211 1.534 1.00 0.78 N ATOM 807 CA GLU A 52 3.919 14.667 0.479 1.00 0.89 C ATOM 808 C GLU A 52 4.376 14.145 -0.882 1.00 0.78 C ATOM 809 O GLU A 52 3.677 14.290 -1.885 1.00 0.85 O ATOM 810 CB GLU A 52 3.848 16.194 0.447 1.00 1.09 C ATOM 811 CG GLU A 52 3.391 16.816 1.756 1.00 1.70 C ATOM 812 CD GLU A 52 2.069 16.257 2.248 1.00 2.16 C ATOM 813 OE1 GLU A 52 1.179 15.985 1.415 1.00 2.43 O ATOM 814 OE2 GLU A 52 1.918 16.084 3.477 1.00 2.83 O ATOM 0 H GLU A 52 5.644 14.796 1.666 1.00 0.78 H new ATOM 0 HA GLU A 52 2.926 14.273 0.695 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.832 16.589 0.192 1.00 1.09 H new ATOM 0 HB3 GLU A 52 3.167 16.500 -0.347 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.154 16.651 2.516 1.00 1.70 H new ATOM 0 HG3 GLU A 52 3.298 17.894 1.627 1.00 1.70 H new ATOM 821 N TYR A 53 5.543 13.514 -0.900 1.00 0.65 N ATOM 822 CA TYR A 53 6.163 13.058 -2.146 1.00 0.61 C ATOM 823 C TYR A 53 5.702 11.653 -2.514 1.00 0.52 C ATOM 824 O TYR A 53 6.359 10.963 -3.291 1.00 0.52 O ATOM 825 CB TYR A 53 7.687 13.075 -2.008 1.00 0.62 C ATOM 826 CG TYR A 53 8.279 14.460 -1.915 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.176 15.359 -2.970 1.00 1.23 C ATOM 828 CD2 TYR A 53 8.941 14.866 -0.772 1.00 0.83 C ATOM 829 CE1 TYR A 53 8.724 16.624 -2.880 1.00 1.44 C ATOM 830 CE2 TYR A 53 9.491 16.122 -0.673 1.00 1.01 C ATOM 831 CZ TYR A 53 9.380 17.002 -1.728 1.00 1.25 C ATOM 832 OH TYR A 53 9.930 18.260 -1.632 1.00 1.48 O ATOM 0 H TYR A 53 6.085 13.303 -0.062 1.00 0.65 H new ATOM 0 HA TYR A 53 5.856 13.739 -2.940 1.00 0.61 H new ATOM 0 HB2 TYR A 53 7.967 12.511 -1.119 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.125 12.560 -2.863 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.661 15.065 -3.872 1.00 1.23 H new ATOM 0 HD2 TYR A 53 9.028 14.183 0.060 1.00 0.83 H new ATOM 0 HE1 TYR A 53 8.639 17.313 -3.707 1.00 1.44 H new ATOM 0 HE2 TYR A 53 10.008 16.418 0.228 1.00 1.01 H new ATOM 0 HH TYR A 53 10.354 18.365 -0.755 1.00 1.48 H new ATOM 842 N ASP A 54 4.568 11.249 -1.961 1.00 0.52 N ATOM 843 CA ASP A 54 4.043 9.899 -2.142 1.00 0.52 C ATOM 844 C ASP A 54 3.872 9.544 -3.609 1.00 0.57 C ATOM 845 O ASP A 54 3.545 10.402 -4.435 1.00 0.68 O ATOM 846 CB ASP A 54 2.696 9.760 -1.447 1.00 0.65 C ATOM 847 CG ASP A 54 2.748 10.125 0.014 1.00 0.88 C ATOM 848 OD1 ASP A 54 3.712 9.707 0.692 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.824 10.814 0.494 1.00 1.22 O ATOM 0 H ASP A 54 3.984 11.845 -1.374 1.00 0.52 H new ATOM 0 HA ASP A 54 4.770 9.216 -1.703 1.00 0.52 H new ATOM 0 HB2 ASP A 54 1.967 10.396 -1.949 1.00 0.65 H new ATOM 0 HB3 ASP A 54 2.346 8.733 -1.547 1.00 0.65 H new ATOM 854 N GLN A 55 4.079 8.274 -3.924 1.00 0.54 N ATOM 855 CA GLN A 55 3.909 7.788 -5.282 1.00 0.60 C ATOM 856 C GLN A 55 2.677 6.894 -5.375 1.00 0.46 C ATOM 857 O GLN A 55 2.669 5.783 -4.840 1.00 0.57 O ATOM 858 CB GLN A 55 5.134 6.989 -5.755 1.00 0.78 C ATOM 859 CG GLN A 55 6.478 7.638 -5.463 1.00 0.87 C ATOM 860 CD GLN A 55 7.096 7.155 -4.164 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.397 6.803 -3.223 1.00 1.85 O ATOM 862 NE2 GLN A 55 8.419 7.114 -4.115 1.00 0.81 N ATOM 0 H GLN A 55 4.366 7.561 -3.254 1.00 0.54 H new ATOM 0 HA GLN A 55 3.789 8.661 -5.923 1.00 0.60 H new ATOM 0 HB2 GLN A 55 5.112 6.007 -5.283 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.051 6.829 -6.830 1.00 0.78 H new ATOM 0 HG2 GLN A 55 7.163 7.430 -6.285 1.00 0.87 H new ATOM 0 HG3 GLN A 55 6.352 8.720 -5.420 1.00 0.87 H new ATOM 0 HE21 GLN A 55 8.969 7.416 -4.919 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.888 6.781 -3.273 1.00 0.81 H new ATOM 871 N VAL A 56 1.628 7.386 -6.024 1.00 0.41 N ATOM 872 CA VAL A 56 0.485 6.549 -6.348 1.00 0.37 C ATOM 873 C VAL A 56 0.900 5.525 -7.396 1.00 0.36 C ATOM 874 O VAL A 56 1.092 5.857 -8.566 1.00 0.44 O ATOM 875 CB VAL A 56 -0.707 7.379 -6.870 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.897 6.483 -7.196 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.096 8.442 -5.852 1.00 1.08 C ATOM 0 H VAL A 56 1.548 8.355 -6.334 1.00 0.41 H new ATOM 0 HA VAL A 56 0.160 6.048 -5.436 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.401 7.875 -7.791 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.723 7.093 -7.562 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.611 5.763 -7.963 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.209 5.951 -6.297 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -1.938 9.020 -6.233 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.380 7.962 -4.915 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.249 9.106 -5.678 1.00 1.08 H new ATOM 887 N LEU A 57 1.075 4.293 -6.957 1.00 0.34 N ATOM 888 CA LEU A 57 1.579 3.238 -7.820 1.00 0.39 C ATOM 889 C LEU A 57 0.542 2.829 -8.857 1.00 0.36 C ATOM 890 O LEU A 57 0.764 2.961 -10.060 1.00 0.48 O ATOM 891 CB LEU A 57 1.986 2.032 -6.978 1.00 0.44 C ATOM 892 CG LEU A 57 3.075 2.306 -5.941 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.388 1.055 -5.139 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.322 2.821 -6.629 1.00 0.77 C ATOM 0 H LEU A 57 0.875 3.996 -6.002 1.00 0.34 H new ATOM 0 HA LEU A 57 2.451 3.619 -8.352 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.103 1.652 -6.464 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.331 1.242 -7.645 1.00 0.44 H new ATOM 0 HG LEU A 57 2.712 3.065 -5.248 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.166 1.276 -4.408 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.489 0.720 -4.622 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.734 0.269 -5.811 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.095 3.014 -5.885 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.680 2.075 -7.339 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.090 3.744 -7.159 1.00 0.77 H new ATOM 906 N ASP A 58 -0.590 2.338 -8.388 1.00 0.31 N ATOM 907 CA ASP A 58 -1.644 1.879 -9.281 1.00 0.35 C ATOM 908 C ASP A 58 -3.000 2.113 -8.631 1.00 0.33 C ATOM 909 O ASP A 58 -3.079 2.318 -7.416 1.00 0.33 O ATOM 910 CB ASP A 58 -1.454 0.391 -9.602 1.00 0.43 C ATOM 911 CG ASP A 58 -2.209 -0.050 -10.841 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.396 -0.427 -10.717 1.00 1.31 O ATOM 913 OD2 ASP A 58 -1.634 -0.014 -11.945 1.00 0.92 O ATOM 0 H ASP A 58 -0.806 2.246 -7.395 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.596 2.441 -10.214 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.392 0.187 -9.739 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.785 -0.204 -8.751 1.00 0.43 H new ATOM 918 N SER A 59 -4.053 2.097 -9.430 1.00 0.42 N ATOM 919 CA SER A 59 -5.396 2.308 -8.925 1.00 0.43 C ATOM 920 C SER A 59 -6.371 1.332 -9.572 1.00 0.46 C ATOM 921 O SER A 59 -6.575 1.346 -10.787 1.00 0.58 O ATOM 922 CB SER A 59 -5.839 3.755 -9.163 1.00 0.52 C ATOM 923 OG SER A 59 -5.679 4.131 -10.521 1.00 1.09 O ATOM 0 H SER A 59 -4.002 1.939 -10.436 1.00 0.42 H new ATOM 0 HA SER A 59 -5.393 2.124 -7.851 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.884 3.869 -8.874 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.258 4.424 -8.528 1.00 0.52 H new ATOM 0 HG SER A 59 -5.967 3.395 -11.100 1.00 1.09 H new ATOM 929 N VAL A 60 -6.951 0.475 -8.755 1.00 0.39 N ATOM 930 CA VAL A 60 -7.916 -0.501 -9.225 1.00 0.45 C ATOM 931 C VAL A 60 -9.320 -0.076 -8.815 1.00 0.38 C ATOM 932 O VAL A 60 -9.668 -0.101 -7.636 1.00 0.39 O ATOM 933 CB VAL A 60 -7.613 -1.912 -8.672 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.629 -2.927 -9.176 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.200 -2.340 -9.043 1.00 1.11 C ATOM 0 H VAL A 60 -6.769 0.435 -7.752 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.847 -0.545 -10.312 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.688 -1.871 -7.585 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.392 -3.911 -8.771 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.628 -2.633 -8.853 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.596 -2.965 -10.265 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -6.005 -3.336 -8.645 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -6.098 -2.357 -10.128 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.484 -1.634 -8.622 1.00 1.11 H new ATOM 945 N LEU A 61 -10.108 0.338 -9.790 1.00 0.40 N ATOM 946 CA LEU A 61 -11.459 0.812 -9.530 1.00 0.39 C ATOM 947 C LEU A 61 -12.476 -0.219 -9.995 1.00 0.38 C ATOM 948 O LEU A 61 -12.606 -0.464 -11.193 1.00 0.57 O ATOM 949 CB LEU A 61 -11.727 2.140 -10.245 1.00 0.51 C ATOM 950 CG LEU A 61 -10.882 3.332 -9.788 1.00 0.62 C ATOM 951 CD1 LEU A 61 -9.506 3.317 -10.440 1.00 1.31 C ATOM 952 CD2 LEU A 61 -11.608 4.629 -10.091 1.00 1.34 C ATOM 0 H LEU A 61 -9.837 0.356 -10.773 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.555 0.966 -8.455 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.565 1.994 -11.313 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.779 2.394 -10.114 1.00 0.51 H new ATOM 0 HG LEU A 61 -10.734 3.255 -8.711 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -8.931 4.176 -10.095 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -8.985 2.399 -10.169 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -9.616 3.365 -11.523 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -11.000 5.472 -9.763 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -11.784 4.705 -11.164 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -12.562 4.643 -9.564 1.00 1.34 H new ATOM 964 N VAL A 62 -13.190 -0.829 -9.060 1.00 0.27 N ATOM 965 CA VAL A 62 -14.199 -1.810 -9.430 1.00 0.27 C ATOM 966 C VAL A 62 -15.599 -1.249 -9.198 1.00 0.26 C ATOM 967 O VAL A 62 -16.054 -1.126 -8.058 1.00 0.30 O ATOM 968 CB VAL A 62 -14.032 -3.117 -8.620 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.072 -4.155 -9.028 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.625 -3.675 -8.783 1.00 0.59 C ATOM 0 H VAL A 62 -13.093 -0.666 -8.058 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.067 -2.034 -10.489 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.189 -2.880 -7.568 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.930 -5.063 -8.442 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.071 -3.759 -8.847 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.959 -4.386 -10.087 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.529 -4.594 -8.205 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.437 -3.887 -9.836 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.900 -2.944 -8.425 1.00 0.59 H new ATOM 980 N GLY A 63 -16.246 -0.863 -10.286 1.00 0.28 N ATOM 981 CA GLY A 63 -17.638 -0.478 -10.248 1.00 0.33 C ATOM 982 C GLY A 63 -18.530 -1.571 -10.836 1.00 0.36 C ATOM 983 O GLY A 63 -18.309 -1.964 -11.983 1.00 0.42 O ATOM 0 H GLY A 63 -15.820 -0.810 -11.211 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.935 -0.278 -9.218 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.777 0.448 -10.806 1.00 0.33 H new ATOM 987 N PRO A 64 -19.535 -2.098 -10.112 1.00 0.39 N ATOM 988 CA PRO A 64 -19.796 -1.835 -8.707 1.00 0.39 C ATOM 989 C PRO A 64 -19.288 -2.970 -7.822 1.00 0.38 C ATOM 990 O PRO A 64 -18.902 -4.033 -8.318 1.00 0.41 O ATOM 991 CB PRO A 64 -21.314 -1.792 -8.692 1.00 0.48 C ATOM 992 CG PRO A 64 -21.712 -2.860 -9.655 1.00 0.55 C ATOM 993 CD PRO A 64 -20.573 -2.999 -10.647 1.00 0.48 C ATOM 0 HA PRO A 64 -19.308 -0.937 -8.329 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.709 -1.985 -7.695 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.689 -0.816 -9.000 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -21.890 -3.802 -9.136 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.639 -2.596 -10.164 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.218 -4.028 -10.708 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.878 -2.707 -11.652 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.256 -2.745 -6.523 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.828 -3.778 -5.597 1.00 0.40 C ATOM 1003 C VAL A 65 -20.021 -4.323 -4.811 1.00 0.41 C ATOM 1004 O VAL A 65 -20.420 -3.749 -3.802 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.753 -3.263 -4.617 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.566 -4.207 -4.606 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.308 -1.852 -4.979 1.00 0.95 C ATOM 0 H VAL A 65 -19.519 -1.862 -6.086 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.388 -4.579 -6.191 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.189 -3.229 -3.619 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -15.812 -3.836 -3.912 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -16.892 -5.198 -4.291 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.139 -4.266 -5.607 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.550 -1.516 -4.271 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.890 -1.849 -5.986 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.165 -1.179 -4.940 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.620 -5.431 -5.277 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.800 -6.019 -4.634 1.00 0.48 C ATOM 1019 C PRO A 66 -21.468 -6.740 -3.339 1.00 0.39 C ATOM 1020 O PRO A 66 -20.325 -7.151 -3.122 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.317 -7.001 -5.684 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.108 -7.396 -6.458 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.200 -6.196 -6.466 1.00 0.46 C ATOM 0 HA PRO A 66 -22.526 -5.259 -4.344 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.790 -7.866 -5.219 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.065 -6.536 -6.327 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.615 -8.253 -5.999 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.375 -7.688 -7.474 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.151 -6.487 -6.405 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -20.316 -5.612 -7.379 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.483 -6.898 -2.494 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.323 -7.513 -1.186 1.00 0.36 C ATOM 1033 C ALA A 67 -21.741 -8.908 -1.313 1.00 0.34 C ATOM 1034 O ALA A 67 -22.192 -9.712 -2.130 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.654 -7.559 -0.451 1.00 0.40 C ATOM 0 H ALA A 67 -23.437 -6.603 -2.699 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.628 -6.904 -0.608 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.514 -8.022 0.526 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.033 -6.545 -0.321 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.370 -8.142 -1.030 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.725 -9.174 -0.518 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.076 -10.460 -0.548 1.00 0.33 C ATOM 1043 C GLY A 68 -18.601 -10.334 -0.277 1.00 0.27 C ATOM 1044 O GLY A 68 -18.041 -9.239 -0.365 1.00 0.26 O ATOM 0 H GLY A 68 -20.334 -8.515 0.155 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.530 -11.116 0.195 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.231 -10.925 -1.521 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.962 -11.437 0.051 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.550 -11.418 0.372 1.00 0.26 C ATOM 1050 C ARG A 69 -15.730 -11.606 -0.893 1.00 0.26 C ATOM 1051 O ARG A 69 -15.721 -12.679 -1.493 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.230 -12.496 1.398 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.858 -12.354 2.029 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.781 -13.191 3.289 1.00 0.48 C ATOM 1055 NE ARG A 69 -13.533 -13.040 4.030 1.00 1.24 N ATOM 1056 CZ ARG A 69 -13.491 -12.793 5.336 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.604 -12.481 5.991 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -12.337 -12.842 5.984 1.00 2.78 N ATOM 0 H ARG A 69 -18.397 -12.358 0.102 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.293 -10.452 0.807 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.985 -12.472 2.184 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.300 -13.473 0.919 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.089 -12.671 1.324 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.663 -11.308 2.264 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -15.613 -12.924 3.941 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -14.909 -14.240 3.023 1.00 0.48 H new ATOM 0 HE ARG A 69 -12.652 -13.128 3.523 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -15.492 -12.431 5.492 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -14.570 -12.292 6.993 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -11.479 -13.069 5.481 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -12.306 -12.652 6.986 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.057 -10.546 -1.297 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.319 -10.531 -2.545 1.00 0.24 C ATOM 1074 C HIS A 70 -12.831 -10.718 -2.298 1.00 0.25 C ATOM 1075 O HIS A 70 -12.229 -9.989 -1.510 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.550 -9.211 -3.275 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.967 -8.986 -3.703 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.531 -9.593 -4.803 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.934 -8.203 -3.172 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.782 -9.192 -4.934 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.049 -8.349 -3.955 1.00 0.47 N ATOM 0 H HIS A 70 -15.006 -9.673 -0.771 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.678 -11.356 -3.160 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.244 -8.391 -2.625 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.907 -9.178 -4.155 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.844 -7.579 -2.295 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.468 -9.501 -5.709 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.943 -7.881 -3.805 1.00 0.47 H new ATOM 1090 N MET A 71 -12.253 -11.695 -2.968 1.00 0.33 N ATOM 1091 CA MET A 71 -10.821 -11.940 -2.893 1.00 0.38 C ATOM 1092 C MET A 71 -10.160 -11.509 -4.199 1.00 0.38 C ATOM 1093 O MET A 71 -10.385 -12.125 -5.244 1.00 0.48 O ATOM 1094 CB MET A 71 -10.558 -13.428 -2.631 1.00 0.47 C ATOM 1095 CG MET A 71 -9.088 -13.812 -2.670 1.00 0.60 C ATOM 1096 SD MET A 71 -8.825 -15.599 -2.729 1.00 0.80 S ATOM 1097 CE MET A 71 -9.652 -16.120 -1.226 1.00 1.80 C ATOM 0 H MET A 71 -12.757 -12.340 -3.577 1.00 0.33 H new ATOM 0 HA MET A 71 -10.398 -11.361 -2.072 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.966 -13.692 -1.656 1.00 0.47 H new ATOM 0 HB3 MET A 71 -11.097 -14.018 -3.373 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.621 -13.353 -3.542 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.589 -13.406 -1.790 1.00 0.60 H new ATOM 0 HE1 MET A 71 -9.425 -17.168 -1.031 1.00 1.80 H new ATOM 0 HE2 MET A 71 -9.305 -15.512 -0.390 1.00 1.80 H new ATOM 0 HE3 MET A 71 -10.729 -15.997 -1.342 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.371 -10.443 -4.157 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.692 -9.974 -5.357 1.00 0.31 C ATOM 1109 C PHE A 72 -7.251 -9.595 -5.042 1.00 0.29 C ATOM 1110 O PHE A 72 -6.937 -9.159 -3.934 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.440 -8.787 -5.993 1.00 0.33 C ATOM 1112 CG PHE A 72 -9.084 -7.431 -5.438 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.462 -7.083 -4.149 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.374 -6.512 -6.192 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.140 -5.846 -3.625 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -8.049 -5.274 -5.672 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.422 -4.921 -4.442 1.00 0.29 C ATOM 0 H PHE A 72 -9.187 -9.894 -3.317 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.685 -10.790 -6.080 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -9.242 -8.786 -7.065 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.511 -8.944 -5.866 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.015 -7.789 -3.547 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -8.071 -6.766 -7.197 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.426 -5.584 -2.617 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.482 -4.579 -6.274 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.182 -3.938 -4.064 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.377 -9.774 -6.017 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.978 -9.433 -5.852 1.00 0.29 C ATOM 1129 C VAL A 73 -4.664 -8.096 -6.506 1.00 0.30 C ATOM 1130 O VAL A 73 -5.075 -7.824 -7.634 1.00 0.47 O ATOM 1131 CB VAL A 73 -4.040 -10.522 -6.414 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.973 -11.713 -5.473 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.492 -10.966 -7.792 1.00 1.00 C ATOM 0 H VAL A 73 -6.614 -10.155 -6.933 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.800 -9.360 -4.779 1.00 0.29 H new ATOM 0 HB VAL A 73 -3.042 -10.092 -6.501 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.306 -12.468 -5.889 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.595 -11.390 -4.503 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.970 -12.137 -5.351 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.815 -11.734 -8.167 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.502 -11.371 -7.731 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.484 -10.113 -8.470 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.948 -7.265 -5.778 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.542 -5.959 -6.258 1.00 0.25 C ATOM 1145 C PHE A 74 -2.052 -5.996 -6.559 1.00 0.25 C ATOM 1146 O PHE A 74 -1.265 -6.464 -5.736 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.846 -4.902 -5.186 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.788 -3.473 -5.659 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.671 -3.013 -6.334 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.850 -2.602 -5.459 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.610 -1.715 -6.794 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.795 -1.301 -5.920 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.694 -0.820 -6.475 1.00 0.31 C ATOM 0 H PHE A 74 -3.629 -7.477 -4.832 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.089 -5.700 -7.164 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.840 -5.094 -4.781 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.138 -5.025 -4.366 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.837 -3.679 -6.502 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.730 -2.946 -4.936 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.769 -1.376 -7.380 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.664 -0.667 -5.826 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.608 0.235 -6.687 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.668 -5.526 -7.733 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.261 -5.469 -8.096 1.00 0.27 C ATOM 1165 C GLN A 75 0.092 -4.086 -8.619 1.00 0.32 C ATOM 1166 O GLN A 75 -0.624 -3.519 -9.448 1.00 0.41 O ATOM 1167 CB GLN A 75 0.096 -6.532 -9.137 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.133 -7.957 -8.661 1.00 0.49 C ATOM 1169 CD GLN A 75 0.563 -8.980 -9.535 1.00 0.52 C ATOM 1170 OE1 GLN A 75 1.709 -9.351 -9.280 1.00 1.14 O ATOM 1171 NE2 GLN A 75 -0.116 -9.437 -10.572 1.00 1.12 N ATOM 0 H GLN A 75 -2.307 -5.180 -8.449 1.00 0.24 H new ATOM 0 HA GLN A 75 0.321 -5.673 -7.197 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.495 -6.360 -10.036 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.143 -6.416 -9.417 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.225 -8.056 -7.636 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.203 -8.164 -8.647 1.00 0.49 H new ATOM 0 HE21 GLN A 75 -1.064 -9.104 -10.748 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.307 -10.123 -11.197 1.00 1.12 H new ATOM 1180 N ALA A 76 1.187 -3.544 -8.119 1.00 0.36 N ATOM 1181 CA ALA A 76 1.650 -2.227 -8.524 1.00 0.46 C ATOM 1182 C ALA A 76 3.148 -2.257 -8.789 1.00 0.40 C ATOM 1183 O ALA A 76 3.833 -3.166 -8.330 1.00 0.48 O ATOM 1184 CB ALA A 76 1.310 -1.206 -7.454 1.00 0.56 C ATOM 0 H ALA A 76 1.779 -4.000 -7.424 1.00 0.36 H new ATOM 0 HA ALA A 76 1.146 -1.939 -9.447 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.660 -0.222 -7.766 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.230 -1.177 -7.308 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.795 -1.484 -6.518 1.00 0.56 H new ATOM 1190 N ASP A 77 3.653 -1.269 -9.513 1.00 0.56 N ATOM 1191 CA ASP A 77 5.065 -1.238 -9.878 1.00 0.61 C ATOM 1192 C ASP A 77 5.901 -0.643 -8.749 1.00 0.43 C ATOM 1193 O ASP A 77 5.375 -0.312 -7.683 1.00 0.47 O ATOM 1194 CB ASP A 77 5.275 -0.438 -11.172 1.00 0.95 C ATOM 1195 CG ASP A 77 4.994 1.046 -11.011 1.00 1.54 C ATOM 1196 OD1 ASP A 77 3.824 1.409 -10.760 1.00 2.13 O ATOM 1197 OD2 ASP A 77 5.933 1.855 -11.164 1.00 2.06 O ATOM 0 H ASP A 77 3.109 -0.479 -9.860 1.00 0.56 H new ATOM 0 HA ASP A 77 5.392 -2.264 -10.048 1.00 0.61 H new ATOM 0 HB2 ASP A 77 6.302 -0.572 -11.511 1.00 0.95 H new ATOM 0 HB3 ASP A 77 4.627 -0.841 -11.950 1.00 0.95 H new ATOM 1202 N ALA A 78 7.204 -0.523 -8.983 1.00 0.45 N ATOM 1203 CA ALA A 78 8.113 0.028 -7.995 1.00 0.36 C ATOM 1204 C ALA A 78 7.976 1.543 -7.926 1.00 0.37 C ATOM 1205 O ALA A 78 7.968 2.224 -8.954 1.00 0.46 O ATOM 1206 CB ALA A 78 9.549 -0.364 -8.316 1.00 0.40 C ATOM 0 H ALA A 78 7.652 -0.803 -9.855 1.00 0.45 H new ATOM 0 HA ALA A 78 7.852 -0.384 -7.020 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.218 0.057 -7.565 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.639 -1.450 -8.313 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.820 0.020 -9.300 1.00 0.40 H new ATOM 1212 N PRO A 79 7.850 2.080 -6.708 1.00 0.34 N ATOM 1213 CA PRO A 79 7.723 3.521 -6.478 1.00 0.43 C ATOM 1214 C PRO A 79 8.859 4.312 -7.112 1.00 0.41 C ATOM 1215 O PRO A 79 9.994 3.844 -7.166 1.00 0.47 O ATOM 1216 CB PRO A 79 7.781 3.644 -4.956 1.00 0.47 C ATOM 1217 CG PRO A 79 7.333 2.319 -4.452 1.00 0.53 C ATOM 1218 CD PRO A 79 7.814 1.315 -5.456 1.00 0.33 C ATOM 0 HA PRO A 79 6.811 3.923 -6.920 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.790 3.876 -4.616 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.132 4.444 -4.598 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.749 2.115 -3.465 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.248 2.285 -4.354 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.798 0.924 -5.195 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.140 0.461 -5.526 1.00 0.33 H new ATOM 1226 N ASN A 80 8.534 5.506 -7.593 1.00 0.43 N ATOM 1227 CA ASN A 80 9.514 6.389 -8.224 1.00 0.46 C ATOM 1228 C ASN A 80 10.744 6.569 -7.337 1.00 0.40 C ATOM 1229 O ASN A 80 10.660 7.161 -6.256 1.00 0.39 O ATOM 1230 CB ASN A 80 8.885 7.755 -8.515 1.00 0.56 C ATOM 1231 CG ASN A 80 7.735 7.674 -9.499 1.00 1.33 C ATOM 1232 OD1 ASN A 80 7.731 6.837 -10.403 1.00 2.19 O ATOM 1233 ND2 ASN A 80 6.749 8.542 -9.330 1.00 1.59 N ATOM 0 H ASN A 80 7.590 5.890 -7.558 1.00 0.43 H new ATOM 0 HA ASN A 80 9.827 5.927 -9.160 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.529 8.192 -7.582 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.649 8.425 -8.910 1.00 0.56 H new ATOM 0 HD21 ASN A 80 5.948 8.533 -9.961 1.00 1.59 H new ATOM 0 HD22 ASN A 80 6.791 9.219 -8.569 1.00 1.59 H new ATOM 1240 N PRO A 81 11.902 6.059 -7.789 1.00 0.41 N ATOM 1241 CA PRO A 81 13.153 6.103 -7.025 1.00 0.41 C ATOM 1242 C PRO A 81 13.640 7.528 -6.798 1.00 0.43 C ATOM 1243 O PRO A 81 14.311 7.811 -5.811 1.00 0.48 O ATOM 1244 CB PRO A 81 14.153 5.333 -7.899 1.00 0.47 C ATOM 1245 CG PRO A 81 13.318 4.567 -8.866 1.00 0.54 C ATOM 1246 CD PRO A 81 12.080 5.386 -9.084 1.00 0.48 C ATOM 0 HA PRO A 81 13.028 5.676 -6.030 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.830 6.013 -8.416 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.770 4.666 -7.297 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.852 4.410 -9.803 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.069 3.582 -8.472 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.206 6.101 -9.897 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.222 4.763 -9.337 1.00 0.48 H new ATOM 1254 N GLY A 82 13.273 8.423 -7.707 1.00 0.45 N ATOM 1255 CA GLY A 82 13.691 9.809 -7.600 1.00 0.49 C ATOM 1256 C GLY A 82 12.922 10.569 -6.535 1.00 0.48 C ATOM 1257 O GLY A 82 13.194 11.741 -6.283 1.00 0.51 O ATOM 0 H GLY A 82 12.692 8.213 -8.519 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.756 9.847 -7.371 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.554 10.301 -8.563 1.00 0.49 H new ATOM 1261 N LEU A 83 11.952 9.906 -5.918 1.00 0.46 N ATOM 1262 CA LEU A 83 11.169 10.516 -4.858 1.00 0.49 C ATOM 1263 C LEU A 83 11.598 10.003 -3.487 1.00 0.46 C ATOM 1264 O LEU A 83 11.495 10.721 -2.495 1.00 0.52 O ATOM 1265 CB LEU A 83 9.673 10.262 -5.075 1.00 0.52 C ATOM 1266 CG LEU A 83 9.035 11.082 -6.197 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.572 10.717 -6.372 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.176 12.567 -5.909 1.00 1.34 C ATOM 0 H LEU A 83 11.691 8.944 -6.136 1.00 0.46 H new ATOM 0 HA LEU A 83 11.350 11.590 -4.890 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.527 9.204 -5.291 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.145 10.474 -4.145 1.00 0.52 H new ATOM 0 HG LEU A 83 9.557 10.851 -7.126 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.142 11.314 -7.176 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.488 9.659 -6.621 1.00 1.60 H new ATOM 0 HD13 LEU A 83 7.034 10.915 -5.445 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.718 13.139 -6.716 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.679 12.804 -4.968 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.233 12.825 -5.836 1.00 1.34 H new ATOM 1280 N ILE A 84 12.089 8.768 -3.432 1.00 0.41 N ATOM 1281 CA ILE A 84 12.507 8.180 -2.165 1.00 0.40 C ATOM 1282 C ILE A 84 13.817 8.816 -1.676 1.00 0.46 C ATOM 1283 O ILE A 84 14.805 8.863 -2.407 1.00 0.52 O ATOM 1284 CB ILE A 84 12.660 6.646 -2.281 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.367 6.034 -2.833 1.00 0.34 C ATOM 1286 CG2 ILE A 84 12.996 6.040 -0.926 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.423 4.530 -3.012 1.00 0.33 C ATOM 0 H ILE A 84 12.206 8.160 -4.243 1.00 0.41 H new ATOM 0 HA ILE A 84 11.727 8.385 -1.431 1.00 0.40 H new ATOM 0 HB ILE A 84 13.478 6.425 -2.967 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.545 6.279 -2.160 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.140 6.496 -3.794 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.100 4.960 -1.026 1.00 0.39 H new ATOM 0 HG22 ILE A 84 13.932 6.462 -0.561 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.197 6.263 -0.219 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.471 4.175 -3.406 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.221 4.276 -3.709 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.617 4.056 -2.050 1.00 0.33 H new ATOM 1299 N PRO A 85 13.818 9.332 -0.431 1.00 0.48 N ATOM 1300 CA PRO A 85 14.970 10.032 0.159 1.00 0.57 C ATOM 1301 C PRO A 85 16.172 9.120 0.389 1.00 0.56 C ATOM 1302 O PRO A 85 16.040 7.899 0.459 1.00 0.55 O ATOM 1303 CB PRO A 85 14.435 10.549 1.503 1.00 0.68 C ATOM 1304 CG PRO A 85 12.956 10.454 1.392 1.00 0.81 C ATOM 1305 CD PRO A 85 12.692 9.277 0.505 1.00 0.50 C ATOM 0 HA PRO A 85 15.335 10.815 -0.505 1.00 0.57 H new ATOM 0 HB2 PRO A 85 14.808 9.949 2.333 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.752 11.576 1.685 1.00 0.68 H new ATOM 0 HG2 PRO A 85 12.498 10.317 2.371 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.536 11.366 0.968 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.674 8.342 1.065 1.00 0.50 H new ATOM 0 HD3 PRO A 85 11.733 9.361 -0.007 1.00 0.50 H new ATOM 1313 N ASP A 86 17.336 9.741 0.542 1.00 0.67 N ATOM 1314 CA ASP A 86 18.602 9.029 0.675 1.00 0.76 C ATOM 1315 C ASP A 86 18.592 8.116 1.896 1.00 0.78 C ATOM 1316 O ASP A 86 18.765 6.904 1.784 1.00 0.86 O ATOM 1317 CB ASP A 86 19.756 10.033 0.794 1.00 0.98 C ATOM 1318 CG ASP A 86 19.790 11.034 -0.348 1.00 1.52 C ATOM 1319 OD1 ASP A 86 18.906 11.918 -0.398 1.00 2.29 O ATOM 1320 OD2 ASP A 86 20.697 10.949 -1.199 1.00 1.92 O ATOM 0 H ASP A 86 17.429 10.756 0.577 1.00 0.67 H new ATOM 0 HA ASP A 86 18.740 8.415 -0.215 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.668 10.570 1.738 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.701 9.491 0.823 1.00 0.98 H new ATOM 1325 N ALA A 87 18.371 8.698 3.060 1.00 0.83 N ATOM 1326 CA ALA A 87 18.393 7.937 4.299 1.00 0.99 C ATOM 1327 C ALA A 87 17.147 7.076 4.439 1.00 0.90 C ATOM 1328 O ALA A 87 17.205 5.961 4.952 1.00 1.07 O ATOM 1329 CB ALA A 87 18.528 8.868 5.490 1.00 1.25 C ATOM 0 H ALA A 87 18.175 9.692 3.175 1.00 0.83 H new ATOM 0 HA ALA A 87 19.258 7.275 4.270 1.00 0.99 H new ATOM 0 HB1 ALA A 87 18.543 8.283 6.409 1.00 1.25 H new ATOM 0 HB2 ALA A 87 19.455 9.435 5.406 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.683 9.556 5.512 1.00 1.25 H new ATOM 1335 N ASP A 88 16.022 7.596 3.964 1.00 0.76 N ATOM 1336 CA ASP A 88 14.739 6.911 4.087 1.00 0.78 C ATOM 1337 C ASP A 88 14.724 5.618 3.276 1.00 0.62 C ATOM 1338 O ASP A 88 14.119 4.627 3.685 1.00 0.64 O ATOM 1339 CB ASP A 88 13.618 7.840 3.627 1.00 0.99 C ATOM 1340 CG ASP A 88 12.230 7.279 3.860 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.058 6.444 4.772 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.296 7.705 3.149 1.00 1.94 O ATOM 0 H ASP A 88 15.971 8.496 3.487 1.00 0.76 H new ATOM 0 HA ASP A 88 14.585 6.648 5.133 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.709 8.792 4.151 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.743 8.048 2.564 1.00 0.99 H new ATOM 1347 N ALA A 89 15.414 5.629 2.140 1.00 0.54 N ATOM 1348 CA ALA A 89 15.509 4.449 1.288 1.00 0.49 C ATOM 1349 C ALA A 89 16.214 3.305 2.009 1.00 0.44 C ATOM 1350 O ALA A 89 15.959 2.139 1.738 1.00 0.51 O ATOM 1351 CB ALA A 89 16.239 4.786 -0.004 1.00 0.48 C ATOM 0 H ALA A 89 15.916 6.444 1.788 1.00 0.54 H new ATOM 0 HA ALA A 89 14.496 4.125 1.048 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.302 3.895 -0.629 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.695 5.566 -0.537 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.244 5.139 0.227 1.00 0.48 H new ATOM 1357 N VAL A 90 17.095 3.645 2.934 1.00 0.41 N ATOM 1358 CA VAL A 90 17.844 2.644 3.680 1.00 0.43 C ATOM 1359 C VAL A 90 17.217 2.444 5.066 1.00 0.43 C ATOM 1360 O VAL A 90 17.920 2.271 6.065 1.00 0.49 O ATOM 1361 CB VAL A 90 19.324 3.061 3.847 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.185 1.863 4.226 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.846 3.716 2.579 1.00 0.54 C ATOM 0 H VAL A 90 17.311 4.609 3.188 1.00 0.41 H new ATOM 0 HA VAL A 90 17.806 1.711 3.117 1.00 0.43 H new ATOM 0 HB VAL A 90 19.380 3.790 4.656 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.222 2.181 4.338 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.830 1.443 5.167 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.120 1.106 3.444 1.00 0.56 H new ATOM 0 HG21 VAL A 90 20.889 4.001 2.719 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.771 3.014 1.749 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.254 4.604 2.358 1.00 0.54 H new ATOM 1373 N GLY A 91 15.895 2.456 5.131 1.00 0.42 N ATOM 1374 CA GLY A 91 15.237 2.434 6.422 1.00 0.46 C ATOM 1375 C GLY A 91 13.790 2.000 6.355 1.00 0.43 C ATOM 1376 O GLY A 91 13.459 1.006 5.711 1.00 0.62 O ATOM 0 H GLY A 91 15.271 2.480 4.324 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.779 1.761 7.086 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.289 3.429 6.865 1.00 0.46 H new ATOM 1380 N VAL A 92 12.923 2.750 7.019 1.00 0.40 N ATOM 1381 CA VAL A 92 11.522 2.375 7.140 1.00 0.38 C ATOM 1382 C VAL A 92 10.617 3.341 6.382 1.00 0.36 C ATOM 1383 O VAL A 92 10.543 4.527 6.705 1.00 0.55 O ATOM 1384 CB VAL A 92 11.081 2.328 8.618 1.00 0.50 C ATOM 1385 CG1 VAL A 92 9.643 1.854 8.733 1.00 1.07 C ATOM 1386 CG2 VAL A 92 11.999 1.431 9.432 1.00 1.23 C ATOM 0 H VAL A 92 13.166 3.625 7.484 1.00 0.40 H new ATOM 0 HA VAL A 92 11.425 1.381 6.704 1.00 0.38 H new ATOM 0 HB VAL A 92 11.147 3.339 9.020 1.00 0.50 H new ATOM 0 HG11 VAL A 92 9.351 1.828 9.783 1.00 1.07 H new ATOM 0 HG12 VAL A 92 8.990 2.539 8.192 1.00 1.07 H new ATOM 0 HG13 VAL A 92 9.554 0.855 8.307 1.00 1.07 H new ATOM 0 HG21 VAL A 92 11.666 1.416 10.470 1.00 1.23 H new ATOM 0 HG22 VAL A 92 11.972 0.419 9.027 1.00 1.23 H new ATOM 0 HG23 VAL A 92 13.018 1.814 9.384 1.00 1.23 H new ATOM 1396 N THR A 93 9.927 2.816 5.388 1.00 0.28 N ATOM 1397 CA THR A 93 8.978 3.578 4.607 1.00 0.28 C ATOM 1398 C THR A 93 7.603 2.941 4.791 1.00 0.27 C ATOM 1399 O THR A 93 7.509 1.866 5.368 1.00 0.41 O ATOM 1400 CB THR A 93 9.374 3.574 3.118 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.804 3.582 2.996 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.805 4.784 2.398 1.00 0.59 C ATOM 0 H THR A 93 10.011 1.841 5.099 1.00 0.28 H new ATOM 0 HA THR A 93 8.964 4.615 4.942 1.00 0.28 H new ATOM 0 HB THR A 93 8.965 2.672 2.662 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.051 3.578 2.048 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.100 4.755 1.349 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.717 4.772 2.469 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.188 5.695 2.858 1.00 0.59 H new ATOM 1410 N VAL A 94 6.537 3.589 4.358 1.00 0.25 N ATOM 1411 CA VAL A 94 5.211 2.997 4.504 1.00 0.25 C ATOM 1412 C VAL A 94 4.559 2.791 3.137 1.00 0.24 C ATOM 1413 O VAL A 94 4.765 3.582 2.218 1.00 0.28 O ATOM 1414 CB VAL A 94 4.289 3.868 5.390 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.018 3.121 5.761 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.019 4.333 6.643 1.00 0.32 C ATOM 0 H VAL A 94 6.556 4.506 3.911 1.00 0.25 H new ATOM 0 HA VAL A 94 5.343 2.031 4.992 1.00 0.25 H new ATOM 0 HB VAL A 94 4.008 4.747 4.810 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.390 3.758 6.384 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.476 2.852 4.854 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.275 2.216 6.311 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.349 4.943 7.249 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.341 3.466 7.220 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.890 4.923 6.359 1.00 0.32 H new ATOM 1426 N VAL A 95 3.798 1.715 3.000 1.00 0.22 N ATOM 1427 CA VAL A 95 3.035 1.473 1.787 1.00 0.22 C ATOM 1428 C VAL A 95 1.552 1.445 2.133 1.00 0.24 C ATOM 1429 O VAL A 95 1.116 0.666 2.982 1.00 0.34 O ATOM 1430 CB VAL A 95 3.467 0.165 1.073 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.354 -1.042 1.992 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.657 -0.049 -0.198 1.00 0.60 C ATOM 0 H VAL A 95 3.693 0.996 3.715 1.00 0.22 H new ATOM 0 HA VAL A 95 3.234 2.283 1.085 1.00 0.22 H new ATOM 0 HB VAL A 95 4.517 0.273 0.801 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.665 -1.938 1.455 1.00 0.54 H new ATOM 0 HG12 VAL A 95 3.995 -0.899 2.862 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.320 -1.155 2.318 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.977 -0.972 -0.682 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.598 -0.119 0.053 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.815 0.790 -0.876 1.00 0.60 H new ATOM 1442 N LEU A 96 0.788 2.326 1.509 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.607 2.503 1.871 1.00 0.26 C ATOM 1444 C LEU A 96 -1.526 2.015 0.769 1.00 0.24 C ATOM 1445 O LEU A 96 -1.287 2.252 -0.407 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.923 3.975 2.137 1.00 0.44 C ATOM 1447 CG LEU A 96 0.053 4.721 3.050 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.175 6.221 2.958 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.111 4.265 4.487 1.00 1.21 C ATOM 0 H LEU A 96 1.110 2.928 0.751 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.773 1.918 2.776 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -0.963 4.495 1.180 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -1.919 4.038 2.576 1.00 0.44 H new ATOM 0 HG LEU A 96 1.067 4.496 2.721 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.527 6.737 3.613 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -0.021 6.550 1.930 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.195 6.453 3.264 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.591 4.805 5.123 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.130 4.466 4.818 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.088 3.195 4.554 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.570 1.330 1.166 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.660 1.008 0.275 1.00 0.24 C ATOM 1463 C ILE A 97 -4.864 1.842 0.677 1.00 0.26 C ATOM 1464 O ILE A 97 -5.551 1.545 1.657 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.025 -0.491 0.300 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.809 -1.340 -0.092 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.196 -0.768 -0.640 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.101 -2.823 -0.158 1.00 0.30 C ATOM 0 H ILE A 97 -2.689 0.979 2.116 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.348 1.234 -0.745 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.324 -0.761 1.313 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.442 -1.007 -1.063 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.009 -1.168 0.628 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.442 -1.829 -0.612 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.062 -0.186 -0.324 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.921 -0.486 -1.656 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.196 -3.360 -0.441 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.439 -3.171 0.818 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.879 -3.008 -0.899 1.00 0.30 H new ATOM 1480 N THR A 98 -5.070 2.916 -0.051 1.00 0.29 N ATOM 1481 CA THR A 98 -6.134 3.845 0.234 1.00 0.33 C ATOM 1482 C THR A 98 -7.373 3.494 -0.576 1.00 0.28 C ATOM 1483 O THR A 98 -7.312 3.356 -1.800 1.00 0.37 O ATOM 1484 CB THR A 98 -5.688 5.282 -0.079 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.023 5.318 -1.349 1.00 1.42 O ATOM 1486 CG2 THR A 98 -4.754 5.807 0.998 1.00 1.07 C ATOM 0 H THR A 98 -4.501 3.168 -0.859 1.00 0.29 H new ATOM 0 HA THR A 98 -6.377 3.777 1.294 1.00 0.33 H new ATOM 0 HB THR A 98 -6.574 5.916 -0.109 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.026 6.235 -1.694 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.453 6.826 0.753 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.268 5.802 1.959 1.00 1.07 H new ATOM 0 HG23 THR A 98 -3.871 5.171 1.055 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.489 3.324 0.108 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.722 2.955 -0.554 1.00 0.29 C ATOM 1496 C CYS A 99 -10.666 4.148 -0.620 1.00 0.31 C ATOM 1497 O CYS A 99 -11.265 4.544 0.385 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.375 1.788 0.178 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.239 0.427 0.515 1.00 1.32 S ATOM 0 H CYS A 99 -8.565 3.436 1.119 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.498 2.644 -1.574 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -10.790 2.146 1.120 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.209 1.416 -0.417 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.366 -0.482 -0.406 1.00 1.32 H new ATOM 1505 N THR A 100 -10.770 4.726 -1.803 1.00 0.34 N ATOM 1506 CA THR A 100 -11.610 5.884 -2.024 1.00 0.38 C ATOM 1507 C THR A 100 -12.968 5.463 -2.579 1.00 0.37 C ATOM 1508 O THR A 100 -13.046 4.778 -3.600 1.00 0.41 O ATOM 1509 CB THR A 100 -10.936 6.862 -3.007 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.623 7.199 -2.539 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.757 8.133 -3.172 1.00 0.50 C ATOM 0 H THR A 100 -10.275 4.405 -2.635 1.00 0.34 H new ATOM 0 HA THR A 100 -11.754 6.383 -1.066 1.00 0.38 H new ATOM 0 HB THR A 100 -10.867 6.368 -3.976 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.200 7.819 -3.169 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.255 8.802 -3.871 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.745 7.881 -3.557 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.859 8.628 -2.206 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.032 5.848 -1.893 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.375 5.618 -2.389 1.00 0.40 C ATOM 1521 C TYR A 101 -16.129 6.935 -2.405 1.00 0.44 C ATOM 1522 O TYR A 101 -16.271 7.582 -1.367 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.113 4.596 -1.523 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.436 4.139 -2.101 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.509 3.618 -3.386 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.605 4.211 -1.357 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.709 3.184 -3.914 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -19.810 3.781 -1.879 1.00 0.73 C ATOM 1529 CZ TYR A 101 -19.857 3.267 -3.158 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.055 2.832 -3.682 1.00 0.65 O ATOM 0 H TYR A 101 -13.989 6.321 -0.991 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.315 5.215 -3.400 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.472 3.727 -1.379 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.289 5.029 -0.538 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.612 3.551 -3.983 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.573 4.610 -0.354 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.747 2.781 -4.915 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.711 3.847 -1.288 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.767 2.959 -3.020 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.558 7.353 -3.593 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.356 8.568 -3.746 1.00 0.59 C ATOM 1542 C ARG A 102 -16.518 9.811 -3.448 1.00 0.57 C ATOM 1543 O ARG A 102 -17.050 10.865 -3.095 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.574 8.512 -2.819 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.572 7.424 -3.186 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.584 7.926 -4.199 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.326 9.055 -3.661 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.298 9.709 -4.291 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -22.722 9.310 -5.479 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.856 10.759 -3.705 1.00 2.45 N ATOM 0 H ARG A 102 -16.366 6.866 -4.468 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.697 8.630 -4.779 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.234 8.351 -1.796 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.079 9.478 -2.838 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.042 6.563 -3.594 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.090 7.084 -2.289 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.074 8.222 -5.116 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.272 7.123 -4.463 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.081 9.372 -2.723 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -22.303 8.492 -5.922 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -23.468 9.820 -5.952 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -22.539 11.056 -2.782 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.602 11.270 -4.177 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.200 9.680 -3.593 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.310 10.799 -3.344 1.00 0.53 C ATOM 1566 C GLY A 103 -13.860 10.854 -1.901 1.00 0.49 C ATOM 1567 O GLY A 103 -13.021 11.674 -1.528 1.00 0.57 O ATOM 0 H GLY A 103 -14.735 8.818 -3.878 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.438 10.720 -3.993 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.816 11.729 -3.602 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.414 9.967 -1.091 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.111 9.922 0.329 1.00 0.44 C ATOM 1573 C GLN A 104 -13.444 8.601 0.677 1.00 0.37 C ATOM 1574 O GLN A 104 -13.927 7.535 0.302 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.398 10.093 1.135 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.109 11.409 0.861 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.433 11.565 1.596 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.140 10.469 1.839 1.00 1.31 O flip ATOM 1579 NE2 GLN A 104 -17.827 12.677 1.942 1.00 0.98 N flip ATOM 0 H GLN A 104 -15.083 9.261 -1.398 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.427 10.734 0.576 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.074 9.269 0.907 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.164 10.029 2.198 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.451 12.231 1.142 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.288 11.497 -0.211 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.263 13.503 1.742 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.718 12.774 2.429 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.328 8.666 1.377 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.621 7.461 1.768 1.00 0.32 C ATOM 1590 C GLU A 105 -12.151 6.970 3.102 1.00 0.32 C ATOM 1591 O GLU A 105 -12.280 7.744 4.047 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.117 7.720 1.842 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.581 8.453 0.624 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.072 8.387 0.508 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.373 8.962 1.370 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.576 7.785 -0.465 1.00 1.59 O ATOM 0 H GLU A 105 -11.893 9.535 1.686 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.789 6.689 1.017 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.898 8.304 2.736 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.595 6.769 1.946 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -10.028 8.027 -0.275 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -9.891 9.497 0.670 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.479 5.689 3.166 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.092 5.117 4.361 1.00 0.27 C ATOM 1605 C PHE A 106 -12.107 4.255 5.141 1.00 0.26 C ATOM 1606 O PHE A 106 -12.355 3.898 6.289 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.323 4.292 3.986 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.069 3.270 2.912 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.237 3.600 1.578 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.678 1.979 3.235 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.012 2.669 0.587 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.453 1.041 2.244 1.00 0.31 C ATOM 1613 CZ PHE A 106 -13.623 1.389 0.917 1.00 0.31 C ATOM 0 H PHE A 106 -12.332 5.024 2.407 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.395 5.945 5.002 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.693 3.784 4.877 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.112 4.966 3.653 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.548 4.599 1.311 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.548 1.703 4.271 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.141 2.943 -0.450 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.145 0.039 2.506 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.451 0.659 0.140 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.013 3.897 4.503 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.974 3.117 5.147 1.00 0.24 C ATOM 1625 C ILE A 107 -8.644 3.358 4.451 1.00 0.22 C ATOM 1626 O ILE A 107 -8.605 3.712 3.270 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.294 1.603 5.167 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.317 0.869 6.094 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.248 1.022 3.760 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.458 -0.643 6.063 1.00 0.37 C ATOM 0 H ILE A 107 -10.818 4.135 3.531 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.917 3.446 6.185 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.305 1.466 5.551 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.297 1.135 5.815 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.469 1.218 7.116 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.476 -0.043 3.799 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.982 1.528 3.133 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.252 1.165 3.340 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.734 -1.090 6.744 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.466 -0.921 6.372 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.276 -1.005 5.051 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.567 3.183 5.187 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.239 3.305 4.646 1.00 0.24 C ATOM 1644 C ARG A 108 -5.317 2.287 5.304 1.00 0.24 C ATOM 1645 O ARG A 108 -5.033 2.375 6.500 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.737 4.719 4.882 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.280 4.918 4.546 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.836 6.300 4.954 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.183 6.591 6.345 1.00 0.60 N ATOM 1650 CZ ARG A 108 -4.020 7.790 6.907 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.674 8.829 6.154 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.224 7.953 8.205 1.00 0.95 N ATOM 0 H ARG A 108 -7.593 2.952 6.180 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.254 3.107 3.574 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.334 5.409 4.286 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.897 4.980 5.928 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.676 4.168 5.057 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.124 4.779 3.476 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.758 6.390 4.821 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.300 7.039 4.301 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.570 5.838 6.915 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.534 8.708 5.151 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.548 9.748 6.579 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.507 7.160 8.780 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -4.098 8.872 8.630 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.876 1.314 4.522 1.00 0.22 N ATOM 1667 CA VAL A 109 -4.022 0.247 5.028 1.00 0.22 C ATOM 1668 C VAL A 109 -2.554 0.578 4.820 1.00 0.24 C ATOM 1669 O VAL A 109 -2.064 0.564 3.701 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.333 -1.096 4.336 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.275 -2.136 4.675 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.715 -1.591 4.731 1.00 0.27 C ATOM 0 H VAL A 109 -5.096 1.240 3.529 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.226 0.156 6.095 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.319 -0.936 3.258 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.515 -3.075 4.176 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.299 -1.785 4.339 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.252 -2.294 5.753 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.918 -2.539 4.234 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.756 -1.732 5.811 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.464 -0.857 4.432 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.853 0.883 5.892 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.450 1.182 5.769 1.00 0.25 C ATOM 1684 C GLY A 110 0.429 0.136 6.403 1.00 0.21 C ATOM 1685 O GLY A 110 0.295 -0.180 7.579 1.00 0.27 O ATOM 0 H GLY A 110 -2.227 0.929 6.840 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.194 1.273 4.713 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.248 2.148 6.231 1.00 0.25 H new ATOM 1689 N TYR A 111 1.322 -0.403 5.612 1.00 0.23 N ATOM 1690 CA TYR A 111 2.314 -1.344 6.100 1.00 0.24 C ATOM 1691 C TYR A 111 3.683 -0.711 6.036 1.00 0.23 C ATOM 1692 O TYR A 111 4.068 -0.152 5.011 1.00 0.27 O ATOM 1693 CB TYR A 111 2.315 -2.641 5.290 1.00 0.32 C ATOM 1694 CG TYR A 111 1.157 -3.552 5.605 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.137 -4.281 6.787 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.091 -3.685 4.731 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.084 -5.120 7.086 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.966 -4.524 5.024 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.965 -5.237 6.204 1.00 0.33 C ATOM 1700 OH TYR A 111 -2.013 -6.073 6.498 1.00 0.40 O ATOM 0 H TYR A 111 1.387 -0.206 4.613 1.00 0.23 H new ATOM 0 HA TYR A 111 2.060 -1.593 7.130 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.295 -2.396 4.228 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.247 -3.175 5.476 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.958 -4.190 7.482 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.086 -3.125 3.808 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.083 -5.682 8.008 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.790 -4.621 4.332 1.00 0.32 H new ATOM 0 HH TYR A 111 -2.843 -5.554 6.539 1.00 0.40 H new ATOM 1710 N TYR A 112 4.410 -0.778 7.126 1.00 0.25 N ATOM 1711 CA TYR A 112 5.746 -0.232 7.150 1.00 0.25 C ATOM 1712 C TYR A 112 6.707 -1.196 6.473 1.00 0.27 C ATOM 1713 O TYR A 112 6.978 -2.278 6.977 1.00 0.33 O ATOM 1714 CB TYR A 112 6.187 0.057 8.585 1.00 0.29 C ATOM 1715 CG TYR A 112 5.565 1.306 9.181 1.00 0.37 C ATOM 1716 CD1 TYR A 112 4.189 1.399 9.340 1.00 0.50 C ATOM 1717 CD2 TYR A 112 6.345 2.382 9.589 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.607 2.524 9.886 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.766 3.514 10.138 1.00 0.60 C ATOM 1720 CZ TYR A 112 4.451 3.613 10.267 1.00 0.64 C ATOM 1721 OH TYR A 112 3.811 4.700 10.831 1.00 0.78 O ATOM 0 H TYR A 112 4.102 -1.202 8.001 1.00 0.25 H new ATOM 0 HA TYR A 112 5.752 0.711 6.604 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.933 -0.798 9.212 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.272 0.157 8.608 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.563 0.575 9.030 1.00 0.50 H new ATOM 0 HD2 TYR A 112 7.418 2.334 9.476 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.537 2.581 10.023 1.00 0.62 H new ATOM 0 HE2 TYR A 112 6.396 4.328 10.466 1.00 0.60 H new ATOM 0 HH TYR A 112 4.472 5.388 11.057 1.00 0.78 H new ATOM 1731 N VAL A 113 7.193 -0.810 5.311 1.00 0.27 N ATOM 1732 CA VAL A 113 8.171 -1.600 4.599 1.00 0.31 C ATOM 1733 C VAL A 113 9.571 -1.222 5.054 1.00 0.28 C ATOM 1734 O VAL A 113 9.962 -0.053 5.028 1.00 0.31 O ATOM 1735 CB VAL A 113 8.049 -1.434 3.066 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.903 0.030 2.685 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.253 -2.047 2.368 1.00 1.19 C ATOM 0 H VAL A 113 6.923 0.053 4.839 1.00 0.27 H new ATOM 0 HA VAL A 113 7.979 -2.648 4.830 1.00 0.31 H new ATOM 0 HB VAL A 113 7.151 -1.959 2.740 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.819 0.117 1.602 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.008 0.440 3.152 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.777 0.584 3.027 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.151 -1.922 1.290 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.162 -1.550 2.707 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.310 -3.109 2.606 1.00 1.19 H new ATOM 1747 N ASN A 114 10.310 -2.217 5.491 1.00 0.29 N ATOM 1748 CA ASN A 114 11.662 -2.012 5.960 1.00 0.32 C ATOM 1749 C ASN A 114 12.634 -2.336 4.841 1.00 0.32 C ATOM 1750 O ASN A 114 12.701 -3.472 4.376 1.00 0.35 O ATOM 1751 CB ASN A 114 11.934 -2.895 7.179 1.00 0.42 C ATOM 1752 CG ASN A 114 13.189 -2.499 7.928 1.00 0.84 C ATOM 1753 OD1 ASN A 114 13.471 -1.208 7.972 1.00 1.63 O flip ATOM 1754 ND2 ASN A 114 13.883 -3.348 8.487 1.00 1.28 N flip ATOM 0 H ASN A 114 9.993 -3.186 5.531 1.00 0.29 H new ATOM 0 HA ASN A 114 11.792 -0.971 6.256 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.082 -2.843 7.856 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.022 -3.933 6.857 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.629 -4.334 8.428 1.00 1.28 H new ATOM 0 HD22 ASN A 114 14.712 -3.065 9.010 1.00 1.28 H new ATOM 1761 N ASN A 115 13.367 -1.336 4.393 1.00 0.34 N ATOM 1762 CA ASN A 115 14.256 -1.509 3.264 1.00 0.39 C ATOM 1763 C ASN A 115 15.686 -1.738 3.727 1.00 0.43 C ATOM 1764 O ASN A 115 16.272 -0.920 4.440 1.00 0.50 O ATOM 1765 CB ASN A 115 14.181 -0.307 2.323 1.00 0.48 C ATOM 1766 CG ASN A 115 12.845 -0.205 1.609 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.624 -0.853 0.588 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.953 0.627 2.126 1.00 0.60 N ATOM 0 H ASN A 115 13.364 -0.398 4.793 1.00 0.34 H new ATOM 0 HA ASN A 115 13.932 -2.393 2.715 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.355 0.606 2.892 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.979 -0.379 1.584 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.046 0.747 1.675 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.173 1.148 2.975 1.00 0.60 H new ATOM 1775 N GLU A 116 16.225 -2.870 3.316 1.00 0.42 N ATOM 1776 CA GLU A 116 17.582 -3.273 3.656 1.00 0.50 C ATOM 1777 C GLU A 116 18.232 -3.921 2.443 1.00 0.45 C ATOM 1778 O GLU A 116 17.558 -4.593 1.670 1.00 0.54 O ATOM 1779 CB GLU A 116 17.572 -4.258 4.831 1.00 0.69 C ATOM 1780 CG GLU A 116 16.675 -5.468 4.608 1.00 1.26 C ATOM 1781 CD GLU A 116 16.879 -6.554 5.645 1.00 1.58 C ATOM 1782 OE1 GLU A 116 16.562 -6.319 6.831 1.00 1.87 O ATOM 1783 OE2 GLU A 116 17.365 -7.645 5.277 1.00 1.97 O ATOM 0 H GLU A 116 15.731 -3.544 2.731 1.00 0.42 H new ATOM 0 HA GLU A 116 18.151 -2.391 3.951 1.00 0.50 H new ATOM 0 HB2 GLU A 116 18.590 -4.601 5.015 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.245 -3.735 5.729 1.00 0.69 H new ATOM 0 HG2 GLU A 116 15.633 -5.149 4.624 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.868 -5.879 3.617 1.00 1.26 H new ATOM 1790 N TYR A 117 19.525 -3.710 2.256 1.00 0.46 N ATOM 1791 CA TYR A 117 20.219 -4.282 1.116 1.00 0.46 C ATOM 1792 C TYR A 117 20.271 -5.799 1.214 1.00 0.52 C ATOM 1793 O TYR A 117 20.318 -6.365 2.304 1.00 0.60 O ATOM 1794 CB TYR A 117 21.634 -3.721 1.011 1.00 0.48 C ATOM 1795 CG TYR A 117 21.681 -2.214 0.920 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.136 -1.550 -0.172 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.267 -1.455 1.924 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.172 -0.172 -0.257 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.306 -0.079 1.845 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.775 0.557 0.751 1.00 0.60 C ATOM 1801 OH TYR A 117 21.795 1.927 0.674 1.00 0.69 O ATOM 0 H TYR A 117 20.111 -3.150 2.875 1.00 0.46 H new ATOM 0 HA TYR A 117 19.663 -4.011 0.218 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.209 -4.042 1.880 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.120 -4.145 0.132 1.00 0.48 H new ATOM 0 HD1 TYR A 117 20.677 -2.120 -0.966 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.699 -1.950 2.781 1.00 0.54 H new ATOM 0 HE1 TYR A 117 20.732 0.332 -1.105 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.753 0.497 2.642 1.00 0.59 H new ATOM 0 HH TYR A 117 22.254 2.292 1.459 1.00 0.69 H new ATOM 1811 N THR A 118 20.263 -6.445 0.063 1.00 0.54 N ATOM 1812 CA THR A 118 20.365 -7.892 -0.004 1.00 0.65 C ATOM 1813 C THR A 118 21.821 -8.276 -0.121 1.00 0.74 C ATOM 1814 O THR A 118 22.262 -9.307 0.381 1.00 0.84 O ATOM 1815 CB THR A 118 19.597 -8.454 -1.210 1.00 0.67 C ATOM 1816 OG1 THR A 118 19.717 -7.554 -2.324 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.133 -8.675 -0.876 1.00 0.77 C ATOM 0 H THR A 118 20.186 -5.987 -0.845 1.00 0.54 H new ATOM 0 HA THR A 118 19.928 -8.310 0.903 1.00 0.65 H new ATOM 0 HB THR A 118 20.031 -9.419 -1.472 1.00 0.67 H new ATOM 0 HG1 THR A 118 19.227 -7.916 -3.092 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.617 -9.073 -1.749 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.051 -9.383 -0.052 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.679 -7.727 -0.587 1.00 0.77 H new ATOM 1825 N GLU A 119 22.557 -7.409 -0.794 1.00 0.78 N ATOM 1826 CA GLU A 119 23.972 -7.569 -0.953 1.00 0.92 C ATOM 1827 C GLU A 119 24.666 -7.340 0.380 1.00 0.95 C ATOM 1828 O GLU A 119 24.644 -6.228 0.917 1.00 0.90 O ATOM 1829 CB GLU A 119 24.468 -6.583 -2.002 1.00 1.00 C ATOM 1830 CG GLU A 119 25.881 -6.853 -2.439 1.00 1.29 C ATOM 1831 CD GLU A 119 26.299 -6.020 -3.630 1.00 1.50 C ATOM 1832 OE1 GLU A 119 25.897 -4.845 -3.711 1.00 2.24 O ATOM 1833 OE2 GLU A 119 27.013 -6.547 -4.505 1.00 1.67 O ATOM 0 H GLU A 119 22.179 -6.575 -1.243 1.00 0.78 H new ATOM 0 HA GLU A 119 24.200 -8.582 -1.286 1.00 0.92 H new ATOM 0 HB2 GLU A 119 23.811 -6.624 -2.871 1.00 1.00 H new ATOM 0 HB3 GLU A 119 24.404 -5.571 -1.601 1.00 1.00 H new ATOM 0 HG2 GLU A 119 26.557 -6.654 -1.608 1.00 1.29 H new ATOM 0 HG3 GLU A 119 25.983 -7.909 -2.687 1.00 1.29 H new ATOM 1840 N THR A 120 25.254 -8.399 0.920 1.00 1.07 N ATOM 1841 CA THR A 120 25.966 -8.331 2.187 1.00 1.14 C ATOM 1842 C THR A 120 27.063 -7.273 2.121 1.00 1.12 C ATOM 1843 O THR A 120 27.395 -6.638 3.121 1.00 1.13 O ATOM 1844 CB THR A 120 26.580 -9.699 2.534 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.599 -10.727 2.346 1.00 1.36 O ATOM 1846 CG2 THR A 120 27.080 -9.731 3.970 1.00 1.41 C ATOM 0 H THR A 120 25.251 -9.325 0.493 1.00 1.07 H new ATOM 0 HA THR A 120 25.255 -8.057 2.966 1.00 1.14 H new ATOM 0 HB THR A 120 27.430 -9.869 1.872 1.00 1.31 H new ATOM 0 HG1 THR A 120 25.991 -11.598 2.566 1.00 1.36 H new ATOM 0 HG21 THR A 120 27.508 -10.710 4.185 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.842 -8.964 4.107 1.00 1.41 H new ATOM 0 HG23 THR A 120 26.249 -9.542 4.649 1.00 1.41 H new ATOM 1854 N GLU A 121 27.598 -7.078 0.921 1.00 1.13 N ATOM 1855 CA GLU A 121 28.569 -6.025 0.664 1.00 1.14 C ATOM 1856 C GLU A 121 28.035 -4.664 1.116 1.00 1.03 C ATOM 1857 O GLU A 121 28.741 -3.902 1.776 1.00 1.09 O ATOM 1858 CB GLU A 121 28.906 -5.983 -0.822 1.00 1.18 C ATOM 1859 CG GLU A 121 29.973 -4.967 -1.173 1.00 1.27 C ATOM 1860 CD GLU A 121 31.267 -5.198 -0.426 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.027 -6.107 -0.819 1.00 2.21 O ATOM 1862 OE2 GLU A 121 31.535 -4.468 0.548 1.00 2.05 O ATOM 0 H GLU A 121 27.371 -7.644 0.103 1.00 1.13 H new ATOM 0 HA GLU A 121 29.471 -6.244 1.235 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.239 -6.971 -1.139 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.001 -5.756 -1.385 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.166 -5.004 -2.245 1.00 1.27 H new ATOM 0 HG3 GLU A 121 29.603 -3.966 -0.950 1.00 1.27 H new ATOM 1869 N LEU A 122 26.779 -4.371 0.786 1.00 0.90 N ATOM 1870 CA LEU A 122 26.202 -3.073 1.108 1.00 0.82 C ATOM 1871 C LEU A 122 25.662 -3.058 2.530 1.00 0.82 C ATOM 1872 O LEU A 122 25.420 -1.998 3.100 1.00 0.83 O ATOM 1873 CB LEU A 122 25.110 -2.705 0.109 1.00 0.75 C ATOM 1874 CG LEU A 122 25.575 -2.608 -1.343 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.447 -2.122 -2.230 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.782 -1.690 -1.466 1.00 0.87 C ATOM 0 H LEU A 122 26.149 -5.009 0.301 1.00 0.90 H new ATOM 0 HA LEU A 122 26.991 -2.324 1.039 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.315 -3.448 0.172 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.677 -1.748 0.402 1.00 0.75 H new ATOM 0 HG LEU A 122 25.871 -3.604 -1.672 1.00 0.82 H new ATOM 0 HD11 LEU A 122 24.796 -2.059 -3.261 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.612 -2.820 -2.172 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.120 -1.137 -1.897 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.094 -1.637 -2.509 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.518 -0.692 -1.116 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.600 -2.082 -0.862 1.00 0.87 H new ATOM 1888 N ARG A 123 25.460 -4.240 3.095 1.00 0.86 N ATOM 1889 CA ARG A 123 25.107 -4.354 4.502 1.00 0.94 C ATOM 1890 C ARG A 123 26.302 -3.960 5.355 1.00 1.11 C ATOM 1891 O ARG A 123 26.163 -3.327 6.404 1.00 1.19 O ATOM 1892 CB ARG A 123 24.675 -5.778 4.846 1.00 0.98 C ATOM 1893 CG ARG A 123 23.316 -6.160 4.296 1.00 0.89 C ATOM 1894 CD ARG A 123 22.948 -7.589 4.667 1.00 1.00 C ATOM 1895 NE ARG A 123 21.511 -7.837 4.556 1.00 1.20 N ATOM 1896 CZ ARG A 123 20.949 -9.039 4.677 1.00 1.56 C ATOM 1897 NH1 ARG A 123 21.703 -10.107 4.915 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.630 -9.169 4.593 1.00 2.03 N ATOM 0 H ARG A 123 25.534 -5.130 2.603 1.00 0.86 H new ATOM 0 HA ARG A 123 24.270 -3.686 4.705 1.00 0.94 H new ATOM 0 HB2 ARG A 123 25.420 -6.475 4.462 1.00 0.98 H new ATOM 0 HB3 ARG A 123 24.661 -5.891 5.930 1.00 0.98 H new ATOM 0 HG2 ARG A 123 22.560 -5.476 4.682 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.318 -6.053 3.211 1.00 0.89 H new ATOM 0 HD2 ARG A 123 23.485 -8.281 4.018 1.00 1.00 H new ATOM 0 HD3 ARG A 123 23.272 -7.792 5.688 1.00 1.00 H new ATOM 0 HE ARG A 123 20.901 -7.040 4.375 1.00 1.20 H new ATOM 0 HH11 ARG A 123 22.714 -10.008 5.005 1.00 1.82 H new ATOM 0 HH12 ARG A 123 21.271 -11.026 5.007 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.046 -8.348 4.436 1.00 2.03 H new ATOM 0 HH22 ARG A 123 19.201 -10.090 4.686 1.00 2.03 H new ATOM 1912 N GLU A 124 27.477 -4.351 4.886 1.00 1.20 N ATOM 1913 CA GLU A 124 28.723 -3.996 5.533 1.00 1.39 C ATOM 1914 C GLU A 124 29.096 -2.551 5.220 1.00 1.37 C ATOM 1915 O GLU A 124 29.584 -1.824 6.088 1.00 1.49 O ATOM 1916 CB GLU A 124 29.835 -4.934 5.068 1.00 1.53 C ATOM 1917 CG GLU A 124 29.604 -6.390 5.438 1.00 1.66 C ATOM 1918 CD GLU A 124 29.714 -6.640 6.928 1.00 2.03 C ATOM 1919 OE1 GLU A 124 30.835 -6.910 7.402 1.00 2.84 O ATOM 1920 OE2 GLU A 124 28.683 -6.578 7.631 1.00 2.06 O ATOM 0 H GLU A 124 27.590 -4.922 4.048 1.00 1.20 H new ATOM 0 HA GLU A 124 28.596 -4.096 6.611 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.935 -4.855 3.985 1.00 1.53 H new ATOM 0 HB3 GLU A 124 30.780 -4.605 5.500 1.00 1.53 H new ATOM 0 HG2 GLU A 124 28.616 -6.695 5.095 1.00 1.66 H new ATOM 0 HG3 GLU A 124 30.330 -7.013 4.915 1.00 1.66 H new ATOM 1927 N ASN A 125 28.858 -2.130 3.980 1.00 1.27 N ATOM 1928 CA ASN A 125 29.225 -0.788 3.554 1.00 1.30 C ATOM 1929 C ASN A 125 28.069 -0.121 2.824 1.00 1.14 C ATOM 1930 O ASN A 125 27.956 -0.240 1.604 1.00 1.10 O ATOM 1931 CB ASN A 125 30.450 -0.822 2.626 1.00 1.45 C ATOM 1932 CG ASN A 125 31.658 -1.505 3.243 1.00 1.58 C ATOM 1933 OD1 ASN A 125 32.464 -0.875 3.926 1.00 2.19 O ATOM 1934 ND2 ASN A 125 31.803 -2.798 2.984 1.00 1.62 N ATOM 0 H ASN A 125 28.415 -2.698 3.258 1.00 1.27 H new ATOM 0 HA ASN A 125 29.469 -0.215 4.449 1.00 1.30 H new ATOM 0 HB2 ASN A 125 30.183 -1.337 1.703 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.719 0.199 2.355 1.00 1.45 H new ATOM 0 HD21 ASN A 125 32.606 -3.306 3.356 1.00 1.62 H new ATOM 0 HD22 ASN A 125 31.112 -3.284 2.413 1.00 1.62 H new ATOM 1941 N PRO A 126 27.166 0.550 3.556 1.00 1.13 N ATOM 1942 CA PRO A 126 26.108 1.338 2.937 1.00 1.06 C ATOM 1943 C PRO A 126 26.675 2.613 2.328 1.00 1.09 C ATOM 1944 O PRO A 126 27.194 3.479 3.037 1.00 1.19 O ATOM 1945 CB PRO A 126 25.161 1.660 4.092 1.00 1.15 C ATOM 1946 CG PRO A 126 26.018 1.602 5.311 1.00 1.23 C ATOM 1947 CD PRO A 126 27.094 0.583 5.027 1.00 1.24 C ATOM 0 HA PRO A 126 25.610 0.810 2.124 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.710 2.645 3.971 1.00 1.15 H new ATOM 0 HB3 PRO A 126 24.344 0.940 4.147 1.00 1.15 H new ATOM 0 HG2 PRO A 126 26.454 2.578 5.526 1.00 1.23 H new ATOM 0 HG3 PRO A 126 25.432 1.315 6.184 1.00 1.23 H new ATOM 0 HD2 PRO A 126 28.047 0.874 5.468 1.00 1.24 H new ATOM 0 HD3 PRO A 126 26.838 -0.394 5.437 1.00 1.24 H new ATOM 1955 N PRO A 127 26.611 2.728 1.003 1.00 1.05 N ATOM 1956 CA PRO A 127 27.166 3.868 0.277 1.00 1.13 C ATOM 1957 C PRO A 127 26.385 5.146 0.562 1.00 1.19 C ATOM 1958 O PRO A 127 25.272 5.092 1.094 1.00 1.14 O ATOM 1959 CB PRO A 127 27.037 3.449 -1.200 1.00 1.11 C ATOM 1960 CG PRO A 127 26.768 1.980 -1.160 1.00 1.01 C ATOM 1961 CD PRO A 127 25.991 1.760 0.097 1.00 0.97 C ATOM 0 HA PRO A 127 28.193 4.093 0.566 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.227 3.986 -1.694 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.949 3.669 -1.754 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.202 1.659 -2.034 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.697 1.409 -1.154 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.927 1.952 -0.041 1.00 0.97 H new ATOM 0 HD3 PRO A 127 26.086 0.738 0.463 1.00 0.97 H new ATOM 1969 N VAL A 128 26.985 6.288 0.238 1.00 1.34 N ATOM 1970 CA VAL A 128 26.350 7.585 0.458 1.00 1.44 C ATOM 1971 C VAL A 128 24.977 7.602 -0.165 1.00 1.22 C ATOM 1972 O VAL A 128 23.988 7.972 0.471 1.00 1.28 O ATOM 1973 CB VAL A 128 27.158 8.728 -0.173 1.00 1.71 C ATOM 1974 CG1 VAL A 128 26.618 10.081 0.255 1.00 1.92 C ATOM 1975 CG2 VAL A 128 28.616 8.588 0.175 1.00 2.16 C ATOM 0 H VAL A 128 27.914 6.342 -0.180 1.00 1.34 H new ATOM 0 HA VAL A 128 26.294 7.731 1.537 1.00 1.44 H new ATOM 0 HB VAL A 128 27.056 8.665 -1.256 1.00 1.71 H new ATOM 0 HG11 VAL A 128 27.209 10.871 -0.207 1.00 1.92 H new ATOM 0 HG12 VAL A 128 25.579 10.174 -0.060 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.678 10.170 1.340 1.00 1.92 H new ATOM 0 HG21 VAL A 128 29.178 9.404 -0.278 1.00 2.16 H new ATOM 0 HG22 VAL A 128 28.736 8.622 1.258 1.00 2.16 H new ATOM 0 HG23 VAL A 128 28.990 7.636 -0.202 1.00 2.16 H new ATOM 1985 N LYS A 129 24.926 7.195 -1.418 1.00 1.07 N ATOM 1986 CA LYS A 129 23.678 7.145 -2.121 1.00 0.88 C ATOM 1987 C LYS A 129 23.167 5.710 -2.174 1.00 0.76 C ATOM 1988 O LYS A 129 23.817 4.836 -2.749 1.00 0.80 O ATOM 1989 CB LYS A 129 23.814 7.727 -3.532 1.00 1.00 C ATOM 1990 CG LYS A 129 24.234 9.190 -3.552 1.00 1.12 C ATOM 1991 CD LYS A 129 23.355 10.028 -2.638 1.00 1.29 C ATOM 1992 CE LYS A 129 23.681 11.508 -2.736 1.00 1.46 C ATOM 1993 NZ LYS A 129 22.921 12.306 -1.739 1.00 1.96 N ATOM 0 H LYS A 129 25.736 6.897 -1.961 1.00 1.07 H new ATOM 0 HA LYS A 129 22.954 7.756 -1.582 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.545 7.141 -4.089 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.861 7.624 -4.051 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.275 9.276 -3.239 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.174 9.574 -4.570 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.308 9.869 -2.896 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.483 9.696 -1.608 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.750 11.656 -2.582 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.451 11.866 -3.740 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 22.489 13.127 -2.208 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 22.175 11.716 -1.318 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 23.566 12.634 -0.992 1.00 1.96 H new ATOM 2007 N PRO A 130 22.014 5.448 -1.539 1.00 0.66 N ATOM 2008 CA PRO A 130 21.380 4.124 -1.521 1.00 0.57 C ATOM 2009 C PRO A 130 21.194 3.522 -2.908 1.00 0.52 C ATOM 2010 O PRO A 130 21.148 4.230 -3.916 1.00 0.64 O ATOM 2011 CB PRO A 130 20.009 4.382 -0.878 1.00 0.55 C ATOM 2012 CG PRO A 130 19.854 5.865 -0.868 1.00 0.64 C ATOM 2013 CD PRO A 130 21.242 6.411 -0.752 1.00 0.71 C ATOM 0 HA PRO A 130 22.000 3.406 -0.984 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.211 3.907 -1.448 1.00 0.55 H new ATOM 0 HB3 PRO A 130 19.965 3.975 0.132 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.369 6.215 -1.779 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.234 6.189 -0.032 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.318 7.421 -1.154 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.578 6.454 0.284 1.00 0.71 H new ATOM 2021 N ASP A 131 21.054 2.207 -2.946 1.00 0.45 N ATOM 2022 CA ASP A 131 20.912 1.492 -4.206 1.00 0.45 C ATOM 2023 C ASP A 131 19.607 0.716 -4.200 1.00 0.39 C ATOM 2024 O ASP A 131 19.430 -0.209 -3.408 1.00 0.39 O ATOM 2025 CB ASP A 131 22.091 0.537 -4.424 1.00 0.53 C ATOM 2026 CG ASP A 131 22.150 -0.010 -5.841 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.146 -0.578 -6.314 1.00 1.28 O ATOM 2028 OD2 ASP A 131 23.206 0.134 -6.489 1.00 1.06 O ATOM 0 H ASP A 131 21.036 1.611 -2.118 1.00 0.45 H new ATOM 0 HA ASP A 131 20.904 2.214 -5.023 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.022 1.059 -4.202 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.015 -0.293 -3.722 1.00 0.53 H new ATOM 2033 N PHE A 132 18.698 1.100 -5.082 1.00 0.38 N ATOM 2034 CA PHE A 132 17.359 0.523 -5.109 1.00 0.35 C ATOM 2035 C PHE A 132 17.364 -0.863 -5.753 1.00 0.37 C ATOM 2036 O PHE A 132 16.455 -1.662 -5.533 1.00 0.38 O ATOM 2037 CB PHE A 132 16.406 1.461 -5.856 1.00 0.38 C ATOM 2038 CG PHE A 132 16.251 2.805 -5.194 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.212 3.791 -5.356 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.138 3.085 -4.418 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.063 5.028 -4.756 1.00 0.50 C ATOM 2042 CE2 PHE A 132 14.983 4.318 -3.819 1.00 0.40 C ATOM 2043 CZ PHE A 132 15.982 5.280 -3.956 1.00 0.46 C ATOM 0 H PHE A 132 18.862 1.813 -5.793 1.00 0.38 H new ATOM 0 HA PHE A 132 17.014 0.406 -4.082 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.772 1.605 -6.873 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.428 0.987 -5.933 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.087 3.591 -5.957 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.381 2.327 -4.280 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.803 5.798 -4.919 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.093 4.536 -3.247 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.903 6.221 -3.432 1.00 0.46 H new ATOM 2053 N SER A 133 18.398 -1.150 -6.531 1.00 0.42 N ATOM 2054 CA SER A 133 18.528 -2.447 -7.187 1.00 0.47 C ATOM 2055 C SER A 133 19.070 -3.492 -6.217 1.00 0.48 C ATOM 2056 O SER A 133 18.925 -4.694 -6.433 1.00 0.62 O ATOM 2057 CB SER A 133 19.451 -2.336 -8.400 1.00 0.54 C ATOM 2058 OG SER A 133 18.962 -1.377 -9.323 1.00 1.46 O ATOM 0 H SER A 133 19.161 -0.502 -6.725 1.00 0.42 H new ATOM 0 HA SER A 133 17.538 -2.761 -7.519 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.453 -2.056 -8.075 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.534 -3.307 -8.888 1.00 0.54 H new ATOM 0 HG SER A 133 17.983 -1.356 -9.285 1.00 1.46 H new ATOM 2064 N LYS A 134 19.675 -3.025 -5.138 1.00 0.40 N ATOM 2065 CA LYS A 134 20.265 -3.913 -4.146 1.00 0.43 C ATOM 2066 C LYS A 134 19.386 -3.934 -2.929 1.00 0.39 C ATOM 2067 O LYS A 134 19.571 -4.726 -2.005 1.00 0.46 O ATOM 2068 CB LYS A 134 21.662 -3.434 -3.762 1.00 0.48 C ATOM 2069 CG LYS A 134 22.680 -3.586 -4.880 1.00 0.65 C ATOM 2070 CD LYS A 134 22.902 -5.046 -5.235 1.00 0.78 C ATOM 2071 CE LYS A 134 23.826 -5.196 -6.431 1.00 1.00 C ATOM 2072 NZ LYS A 134 25.115 -4.485 -6.231 1.00 1.87 N ATOM 0 H LYS A 134 19.772 -2.032 -4.925 1.00 0.40 H new ATOM 0 HA LYS A 134 20.348 -4.915 -4.566 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.611 -2.386 -3.467 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.003 -3.994 -2.891 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.338 -3.044 -5.762 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.625 -3.136 -4.576 1.00 0.65 H new ATOM 0 HD2 LYS A 134 23.327 -5.569 -4.378 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.944 -5.518 -5.453 1.00 0.78 H new ATOM 0 HE2 LYS A 134 24.019 -6.254 -6.609 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.332 -4.808 -7.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.891 -5.056 -6.622 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 25.083 -3.566 -6.716 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.274 -4.334 -5.214 1.00 1.87 H new ATOM 2086 N LEU A 135 18.419 -3.052 -2.957 1.00 0.41 N ATOM 2087 CA LEU A 135 17.553 -2.831 -1.839 1.00 0.40 C ATOM 2088 C LEU A 135 16.430 -3.853 -1.836 1.00 0.41 C ATOM 2089 O LEU A 135 15.758 -4.054 -2.842 1.00 0.46 O ATOM 2090 CB LEU A 135 16.996 -1.418 -1.920 1.00 0.41 C ATOM 2091 CG LEU A 135 16.374 -0.903 -0.643 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.423 -0.833 0.460 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.731 0.453 -0.884 1.00 0.74 C ATOM 0 H LEU A 135 18.213 -2.465 -3.765 1.00 0.41 H new ATOM 0 HA LEU A 135 18.112 -2.944 -0.910 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.800 -0.743 -2.213 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.247 -1.384 -2.711 1.00 0.41 H new ATOM 0 HG LEU A 135 15.593 -1.592 -0.320 1.00 0.36 H new ATOM 0 HD11 LEU A 135 16.964 -0.461 1.376 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.831 -1.828 0.637 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.225 -0.160 0.157 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.286 0.815 0.043 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.488 1.160 -1.223 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.957 0.358 -1.645 1.00 0.74 H new ATOM 2105 N GLN A 136 16.255 -4.516 -0.714 1.00 0.40 N ATOM 2106 CA GLN A 136 15.187 -5.477 -0.559 1.00 0.41 C ATOM 2107 C GLN A 136 14.042 -4.844 0.192 1.00 0.38 C ATOM 2108 O GLN A 136 14.220 -4.321 1.295 1.00 0.44 O ATOM 2109 CB GLN A 136 15.655 -6.713 0.204 1.00 0.46 C ATOM 2110 CG GLN A 136 14.663 -7.865 0.135 1.00 0.58 C ATOM 2111 CD GLN A 136 14.928 -8.944 1.166 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.396 -8.548 2.334 1.00 1.63 O flip ATOM 2113 NE2 GLN A 136 14.683 -10.126 0.921 1.00 0.72 N flip ATOM 0 H GLN A 136 16.845 -4.405 0.111 1.00 0.40 H new ATOM 0 HA GLN A 136 14.866 -5.784 -1.555 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.613 -7.041 -0.199 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.823 -6.447 1.248 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.654 -7.476 0.276 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.698 -8.307 -0.861 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.322 -10.393 0.005 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.841 -10.838 1.634 1.00 0.72 H new ATOM 2122 N ARG A 137 12.875 -4.889 -0.405 1.00 0.36 N ATOM 2123 CA ARG A 137 11.681 -4.446 0.261 1.00 0.35 C ATOM 2124 C ARG A 137 11.217 -5.541 1.216 1.00 0.35 C ATOM 2125 O ARG A 137 10.826 -6.630 0.783 1.00 0.39 O ATOM 2126 CB ARG A 137 10.606 -4.093 -0.779 1.00 0.43 C ATOM 2127 CG ARG A 137 9.185 -4.176 -0.254 1.00 1.02 C ATOM 2128 CD ARG A 137 8.490 -5.419 -0.779 1.00 1.29 C ATOM 2129 NE ARG A 137 7.929 -5.203 -2.103 1.00 1.00 N ATOM 2130 CZ ARG A 137 7.086 -6.034 -2.712 1.00 1.85 C ATOM 2131 NH1 ARG A 137 6.640 -7.121 -2.088 1.00 2.82 N ATOM 2132 NH2 ARG A 137 6.697 -5.778 -3.951 1.00 2.05 N ATOM 0 H ARG A 137 12.730 -5.230 -1.355 1.00 0.36 H new ATOM 0 HA ARG A 137 11.877 -3.545 0.842 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.788 -3.083 -1.145 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.707 -4.764 -1.632 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.195 -4.192 0.836 1.00 1.02 H new ATOM 0 HG3 ARG A 137 8.629 -3.288 -0.554 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.200 -6.245 -0.815 1.00 1.29 H new ATOM 0 HD3 ARG A 137 7.697 -5.710 -0.091 1.00 1.29 H new ATOM 0 HE ARG A 137 8.201 -4.355 -2.600 1.00 1.00 H new ATOM 0 HH11 ARG A 137 6.944 -7.323 -1.135 1.00 2.82 H new ATOM 0 HH12 ARG A 137 5.994 -7.752 -2.562 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.043 -4.948 -4.433 1.00 2.05 H new ATOM 0 HH22 ARG A 137 6.051 -6.410 -4.424 1.00 2.05 H new ATOM 2146 N ASN A 138 11.340 -5.274 2.512 1.00 0.35 N ATOM 2147 CA ASN A 138 10.861 -6.191 3.536 1.00 0.39 C ATOM 2148 C ASN A 138 9.674 -5.577 4.267 1.00 0.39 C ATOM 2149 O ASN A 138 9.818 -4.902 5.283 1.00 0.49 O ATOM 2150 CB ASN A 138 11.976 -6.560 4.521 1.00 0.45 C ATOM 2151 CG ASN A 138 11.517 -7.550 5.580 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.555 -8.763 5.374 1.00 0.84 O ATOM 2153 ND2 ASN A 138 11.087 -7.043 6.723 1.00 0.67 N ATOM 0 H ASN A 138 11.770 -4.425 2.878 1.00 0.35 H new ATOM 0 HA ASN A 138 10.539 -7.112 3.049 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.816 -6.985 3.971 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.340 -5.655 5.008 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.773 -7.663 7.470 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.070 -6.032 6.858 1.00 0.67 H new ATOM 2160 N ILE A 139 8.508 -5.792 3.697 1.00 0.37 N ATOM 2161 CA ILE A 139 7.254 -5.288 4.216 1.00 0.36 C ATOM 2162 C ILE A 139 6.962 -5.885 5.585 1.00 0.37 C ATOM 2163 O ILE A 139 6.887 -7.106 5.736 1.00 0.46 O ATOM 2164 CB ILE A 139 6.127 -5.647 3.221 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.415 -5.006 1.868 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.764 -5.219 3.718 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.463 -5.433 0.778 1.00 0.48 C ATOM 0 H ILE A 139 8.403 -6.335 2.840 1.00 0.37 H new ATOM 0 HA ILE A 139 7.315 -4.206 4.330 1.00 0.36 H new ATOM 0 HB ILE A 139 6.107 -6.732 3.123 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.370 -3.922 1.973 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.433 -5.255 1.567 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.006 -5.493 2.984 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.549 -5.716 4.664 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.753 -4.139 3.865 1.00 0.43 H new ATOM 0 HD11 ILE A 139 5.731 -4.936 -0.154 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.524 -6.513 0.644 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.445 -5.159 1.056 1.00 0.48 H new ATOM 2179 N LEU A 140 6.821 -5.026 6.583 1.00 0.35 N ATOM 2180 CA LEU A 140 6.565 -5.478 7.938 1.00 0.39 C ATOM 2181 C LEU A 140 5.070 -5.646 8.151 1.00 0.36 C ATOM 2182 O LEU A 140 4.380 -4.718 8.574 1.00 0.37 O ATOM 2183 CB LEU A 140 7.145 -4.497 8.964 1.00 0.47 C ATOM 2184 CG LEU A 140 8.656 -4.273 8.861 1.00 0.54 C ATOM 2185 CD1 LEU A 140 9.098 -3.137 9.772 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.409 -5.550 9.201 1.00 0.99 C ATOM 0 H LEU A 140 6.880 -4.013 6.478 1.00 0.35 H new ATOM 0 HA LEU A 140 7.056 -6.440 8.080 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.642 -3.537 8.851 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.914 -4.862 9.965 1.00 0.47 H new ATOM 0 HG LEU A 140 8.889 -3.996 7.833 1.00 0.54 H new ATOM 0 HD11 LEU A 140 10.175 -2.996 9.682 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.587 -2.219 9.483 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.849 -3.381 10.805 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.481 -5.372 9.122 1.00 0.99 H new ATOM 0 HD22 LEU A 140 9.166 -5.856 10.218 1.00 0.99 H new ATOM 0 HD23 LEU A 140 9.120 -6.339 8.506 1.00 0.99 H new ATOM 2198 N ALA A 141 4.575 -6.836 7.832 1.00 0.39 N ATOM 2199 CA ALA A 141 3.165 -7.152 8.005 1.00 0.42 C ATOM 2200 C ALA A 141 2.842 -7.302 9.486 1.00 0.49 C ATOM 2201 O ALA A 141 1.683 -7.436 9.879 1.00 0.55 O ATOM 2202 CB ALA A 141 2.810 -8.416 7.233 1.00 0.48 C ATOM 0 H ALA A 141 5.133 -7.600 7.451 1.00 0.39 H new ATOM 0 HA ALA A 141 2.563 -6.335 7.607 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.753 -8.642 7.371 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.014 -8.264 6.173 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.409 -9.248 7.602 1.00 0.48 H new ATOM 2208 N SER A 142 3.891 -7.267 10.296 1.00 0.52 N ATOM 2209 CA SER A 142 3.771 -7.336 11.740 1.00 0.62 C ATOM 2210 C SER A 142 3.081 -6.088 12.285 1.00 0.61 C ATOM 2211 O SER A 142 2.459 -6.121 13.347 1.00 0.70 O ATOM 2212 CB SER A 142 5.168 -7.452 12.343 1.00 0.72 C ATOM 2213 OG SER A 142 6.081 -7.964 11.384 1.00 1.42 O ATOM 0 H SER A 142 4.853 -7.190 9.965 1.00 0.52 H new ATOM 0 HA SER A 142 3.170 -8.205 12.008 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.504 -6.474 12.688 1.00 0.72 H new ATOM 0 HB3 SER A 142 5.141 -8.106 13.214 1.00 0.72 H new ATOM 0 HG SER A 142 6.973 -8.031 11.785 1.00 1.42 H new ATOM 2219 N ASN A 143 3.195 -4.984 11.554 1.00 0.56 N ATOM 2220 CA ASN A 143 2.603 -3.724 11.983 1.00 0.60 C ATOM 2221 C ASN A 143 1.659 -3.180 10.918 1.00 0.49 C ATOM 2222 O ASN A 143 2.094 -2.554 9.950 1.00 0.49 O ATOM 2223 CB ASN A 143 3.688 -2.690 12.297 1.00 0.74 C ATOM 2224 CG ASN A 143 3.107 -1.379 12.797 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.055 -1.356 13.438 1.00 1.87 O ATOM 2226 ND2 ASN A 143 3.788 -0.281 12.512 1.00 1.91 N ATOM 0 H ASN A 143 3.691 -4.937 10.664 1.00 0.56 H new ATOM 0 HA ASN A 143 2.032 -3.917 12.891 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.366 -3.095 13.049 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.280 -2.504 11.401 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.446 0.627 12.826 1.00 1.91 H new ATOM 0 HD22 ASN A 143 4.655 -0.343 11.979 1.00 1.91 H new ATOM 2233 N PRO A 144 0.357 -3.446 11.066 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.661 -2.939 10.169 1.00 0.43 C ATOM 2235 C PRO A 144 -1.261 -1.625 10.662 1.00 0.39 C ATOM 2236 O PRO A 144 -2.040 -1.601 11.617 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.711 -4.053 10.187 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.515 -4.786 11.485 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.234 -4.285 12.113 1.00 0.60 C ATOM 0 HA PRO A 144 -0.270 -2.714 9.177 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.718 -3.641 10.120 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.583 -4.723 9.337 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.360 -4.613 12.152 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -1.460 -5.861 11.312 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.429 -3.715 13.021 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.426 -5.107 12.388 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.892 -0.537 10.011 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.422 0.772 10.352 1.00 0.33 C ATOM 2249 C ARG A 145 -2.731 0.992 9.616 1.00 0.30 C ATOM 2250 O ARG A 145 -2.744 1.359 8.443 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.433 1.879 9.994 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.871 3.252 10.481 1.00 0.98 C ATOM 2253 CD ARG A 145 0.168 4.303 10.151 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.329 5.665 10.349 1.00 1.63 N ATOM 2255 CZ ARG A 145 0.441 6.754 10.304 1.00 2.42 C ATOM 2256 NH1 ARG A 145 1.757 6.637 10.176 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -0.104 7.958 10.417 1.00 3.15 N ATOM 0 H ARG A 145 -0.224 -0.534 9.240 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.591 0.807 11.428 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.540 1.641 10.424 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.305 1.908 8.912 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -1.822 3.519 10.020 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -1.036 3.224 11.558 1.00 0.98 H new ATOM 0 HD2 ARG A 145 1.048 4.147 10.774 1.00 1.21 H new ATOM 0 HD3 ARG A 145 0.485 4.183 9.115 1.00 1.21 H new ATOM 0 HE ARG A 145 -1.325 5.790 10.533 1.00 1.63 H new ATOM 0 HH11 ARG A 145 2.183 5.712 10.112 1.00 3.00 H new ATOM 0 HH12 ARG A 145 2.342 7.472 10.142 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -1.112 8.052 10.538 1.00 3.15 H new ATOM 0 HH22 ARG A 145 0.485 8.790 10.383 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.831 0.745 10.290 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.126 0.834 9.650 1.00 0.39 C ATOM 2273 C VAL A 146 -5.900 2.038 10.162 1.00 0.40 C ATOM 2274 O VAL A 146 -6.424 2.031 11.278 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.960 -0.446 9.867 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.271 -0.376 9.099 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.170 -1.678 9.457 1.00 1.11 C ATOM 0 H VAL A 146 -3.857 0.482 11.275 1.00 0.36 H new ATOM 0 HA VAL A 146 -4.946 0.949 8.581 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.190 -0.521 10.930 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.841 -1.290 9.268 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.849 0.481 9.444 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.064 -0.269 8.034 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.776 -2.569 9.618 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -4.904 -1.606 8.402 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.262 -1.744 10.056 1.00 1.11 H new ATOM 2287 N THR A 147 -5.949 3.077 9.349 1.00 0.40 N ATOM 2288 CA THR A 147 -6.754 4.242 9.660 1.00 0.42 C ATOM 2289 C THR A 147 -8.082 4.142 8.943 1.00 0.35 C ATOM 2290 O THR A 147 -8.134 4.216 7.717 1.00 0.33 O ATOM 2291 CB THR A 147 -6.071 5.549 9.224 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.667 5.505 9.515 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.702 6.741 9.933 1.00 0.52 C ATOM 0 H THR A 147 -5.440 3.137 8.467 1.00 0.40 H new ATOM 0 HA THR A 147 -6.889 4.264 10.741 1.00 0.42 H new ATOM 0 HB THR A 147 -6.207 5.660 8.148 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.479 6.054 10.305 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.207 7.658 9.613 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.762 6.794 9.683 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.589 6.625 11.011 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.153 3.952 9.685 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.457 3.880 9.067 1.00 0.34 C ATOM 2303 C ARG A 148 -11.256 5.141 9.369 1.00 0.37 C ATOM 2304 O ARG A 148 -11.251 5.648 10.491 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.211 2.618 9.499 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.404 2.490 11.004 1.00 0.57 C ATOM 2307 CD ARG A 148 -11.964 1.127 11.386 1.00 0.88 C ATOM 2308 NE ARG A 148 -10.969 0.061 11.227 1.00 1.48 N ATOM 2309 CZ ARG A 148 -11.264 -1.210 10.946 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -12.528 -1.591 10.805 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -10.285 -2.106 10.825 1.00 3.00 N ATOM 0 H ARG A 148 -9.147 3.846 10.699 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.321 3.816 7.987 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.188 2.609 9.017 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.670 1.744 9.138 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.450 2.646 11.508 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.079 3.271 11.352 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -12.306 1.152 12.421 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.834 0.906 10.768 1.00 0.88 H new ATOM 0 HE ARG A 148 -9.986 0.308 11.339 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.281 -0.911 10.911 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -12.746 -2.564 10.590 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -9.314 -1.820 10.947 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -10.507 -3.078 10.610 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.929 5.636 8.349 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.603 6.920 8.401 1.00 0.36 C ATOM 2327 C PHE A 149 -14.118 6.734 8.410 1.00 0.38 C ATOM 2328 O PHE A 149 -14.626 5.689 8.004 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.201 7.751 7.179 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.717 7.811 6.935 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.943 8.776 7.562 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.095 6.902 6.097 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.581 8.836 7.357 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.728 6.956 5.888 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.984 7.915 6.450 1.00 0.40 C ATOM 0 H PHE A 149 -12.025 5.156 7.454 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.309 7.433 9.317 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.687 7.336 6.296 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.579 8.766 7.303 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.414 9.491 8.220 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.682 6.143 5.601 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.978 9.568 7.875 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.255 6.213 5.262 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.932 7.991 6.216 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.835 7.745 8.878 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.292 7.723 8.845 1.00 0.51 C ATOM 2347 C HIS A 150 -16.793 8.623 7.724 1.00 0.52 C ATOM 2348 O HIS A 150 -16.659 9.843 7.796 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.877 8.167 10.189 1.00 0.64 C ATOM 2350 CG HIS A 150 -16.627 7.195 11.302 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -15.659 7.380 12.262 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -17.230 6.022 11.603 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -15.674 6.364 13.102 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -16.618 5.525 12.726 1.00 2.73 N ATOM 0 H HIS A 150 -14.434 8.590 9.285 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.621 6.701 8.658 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.452 9.134 10.459 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.952 8.311 10.078 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.042 5.562 11.060 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -15.023 6.240 13.954 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -16.855 4.650 13.193 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.361 8.018 6.688 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.791 8.757 5.512 1.00 0.50 C ATOM 2365 C ILE A 151 -19.173 8.312 5.088 1.00 0.49 C ATOM 2366 O ILE A 151 -19.654 7.264 5.515 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.843 8.550 4.307 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.881 7.091 3.832 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.428 8.957 4.667 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.286 6.879 2.459 1.00 0.64 C ATOM 0 H ILE A 151 -17.534 7.014 6.640 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.785 9.810 5.794 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.185 9.184 3.489 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.344 6.471 4.550 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.916 6.748 3.826 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.776 8.804 3.807 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.413 10.009 4.951 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.076 8.351 5.502 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.350 5.824 2.194 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.837 7.471 1.728 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.241 7.190 2.463 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.801 9.106 4.249 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.052 8.710 3.637 1.00 0.51 C ATOM 2384 C ASN A 152 -20.770 7.984 2.328 1.00 0.49 C ATOM 2385 O ASN A 152 -20.145 8.522 1.413 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.977 9.915 3.434 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.405 10.981 2.517 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.718 11.950 3.096 1.00 1.78 O flip ATOM 2389 ND2 ASN A 152 -21.589 10.945 1.302 1.00 1.33 N flip ATOM 0 H ASN A 152 -19.467 10.030 3.974 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.575 8.026 4.305 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.925 9.568 3.024 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.194 10.362 4.404 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -22.125 10.181 0.890 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -21.206 11.679 0.706 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.190 6.737 2.277 1.00 0.54 N ATOM 2397 CA TRP A 153 -20.979 5.890 1.113 1.00 0.59 C ATOM 2398 C TRP A 153 -22.084 6.121 0.095 1.00 0.72 C ATOM 2399 O TRP A 153 -22.015 5.662 -1.045 1.00 0.87 O ATOM 2400 CB TRP A 153 -20.981 4.416 1.521 1.00 0.63 C ATOM 2401 CG TRP A 153 -19.951 4.045 2.549 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.801 4.578 3.797 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -18.956 3.024 2.427 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.763 3.962 4.451 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.231 3.003 3.633 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.606 2.130 1.413 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.180 2.119 3.851 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.563 1.254 1.630 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.862 1.252 2.842 1.00 0.53 C ATOM 0 H TRP A 153 -21.688 6.278 3.040 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.014 6.144 0.674 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -21.968 4.162 1.908 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -20.821 3.807 0.631 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.410 5.369 4.209 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.441 4.183 5.393 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.142 2.125 0.476 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.635 2.117 4.783 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.283 0.559 0.853 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.053 0.551 2.983 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.097 6.847 0.517 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.298 7.012 -0.259 1.00 0.99 C ATOM 2422 C GLU A 154 -24.577 8.481 -0.469 1.00 0.96 C ATOM 2423 O GLU A 154 -24.030 9.334 0.231 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.490 6.346 0.440 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.722 6.805 1.878 1.00 1.48 C ATOM 2426 CD GLU A 154 -24.720 6.229 2.862 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -24.890 5.069 3.279 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -23.760 6.940 3.222 1.00 2.32 O ATOM 0 H GLU A 154 -23.107 7.339 1.411 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.154 6.532 -1.227 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.391 6.544 -0.140 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -25.339 5.266 0.437 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.674 7.893 1.917 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.728 6.519 2.185 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.433 8.778 -1.419 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.786 10.153 -1.689 1.00 1.07 C ATOM 2437 C ASP A 155 -26.968 10.553 -0.820 1.00 1.02 C ATOM 2438 O ASP A 155 -28.097 10.684 -1.297 1.00 1.15 O ATOM 2439 CB ASP A 155 -26.114 10.330 -3.167 1.00 1.41 C ATOM 2440 CG ASP A 155 -26.060 11.781 -3.611 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -26.961 12.564 -3.242 1.00 1.86 O ATOM 2442 OD2 ASP A 155 -25.109 12.141 -4.340 1.00 2.49 O ATOM 0 H ASP A 155 -25.895 8.091 -2.015 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.941 10.799 -1.450 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.413 9.746 -3.763 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -27.109 9.931 -3.364 1.00 1.41 H new ATOM 2447 N ASN A 156 -26.704 10.690 0.470 1.00 1.06 N ATOM 2448 CA ASN A 156 -27.715 11.128 1.420 1.00 1.31 C ATOM 2449 C ASN A 156 -27.223 12.331 2.207 1.00 1.59 C ATOM 2450 O ASN A 156 -27.530 13.469 1.801 1.00 2.09 O ATOM 2451 CB ASN A 156 -28.094 9.993 2.376 1.00 1.55 C ATOM 2452 CG ASN A 156 -29.085 9.022 1.768 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -28.580 7.992 1.108 1.00 2.57 O flip ATOM 2454 ND2 ASN A 156 -30.300 9.198 1.891 1.00 2.27 N flip ATOM 2455 OXT ASN A 156 -26.529 12.141 3.226 1.00 2.05 O ATOM 0 H ASN A 156 -25.791 10.503 0.885 1.00 1.06 H new ATOM 0 HA ASN A 156 -28.603 11.416 0.857 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -27.193 9.452 2.666 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.519 10.417 3.286 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -30.649 10.005 2.408 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -30.956 8.536 1.476 1.00 2.27 H new