USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 20 CYS SG : rot 180:sc= -0.0924 USER MOD Set 1.2: A 42 CYS SG : rot 102:sc= -0.408 USER MOD Set 2.1: A 15 SER OG : rot 120:sc= 0.583 USER MOD Set 2.2: A 17 SER OG : rot -86:sc= 1.16 USER MOD Set 2.3: A 84 LYS NZ :NH3+ -94:sc= 1.23 (180deg=0) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.137 (180deg=-0.661) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.23 USER MOD Single : A 5 ASN : amide:sc= -4.49! C(o=-4.5!,f=-4.9!) USER MOD Single : A 9 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -6.96! (180deg=-8.5!) USER MOD Single : A 23 CYS SG : rot 24:sc= 0.286 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-5.7!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -24:sc= 0.742 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc=-0.00731 F(o=-1.4,f=-0.0073) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -149:sc= -0.239 (180deg=-0.837) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 0.461 (180deg=0.069) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -6.6! C(o=-7.9!,f=-6.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.33) USER MOD Single : A 65 ASN : amide:sc= -0.791 K(o=-0.79,f=-3.7!) USER MOD Single : A 70 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.003) USER MOD Single : A 74 ASN : amide:sc= -0.473 K(o=-0.47,f=-2.2) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 80 ASN : amide:sc= -4.33! C(o=-4.3!,f=-6.1!) USER MOD Single : A 85 ASN : amide:sc= -1.77! C(o=-1.8!,f=-9!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 156:sc=-0.000256 (180deg=-0.828) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.928 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.192 14.198 -4.937 1.00 0.00 N ATOM 2 CA MET A 1 7.757 12.990 -5.615 1.00 0.00 C ATOM 3 C MET A 1 7.438 11.881 -4.608 1.00 0.00 C ATOM 4 O MET A 1 8.032 10.804 -4.657 1.00 0.00 O ATOM 5 CB MET A 1 8.854 12.514 -6.568 1.00 0.00 C ATOM 6 CG MET A 1 8.255 11.825 -7.796 1.00 0.00 C ATOM 7 SD MET A 1 9.293 12.104 -9.220 1.00 0.00 S ATOM 8 CE MET A 1 8.968 13.836 -9.506 1.00 0.00 C ATOM 0 H1 MET A 1 8.402 14.934 -5.641 1.00 0.00 H new ATOM 0 H2 MET A 1 7.438 14.530 -4.302 1.00 0.00 H new ATOM 0 H3 MET A 1 9.048 13.995 -4.382 1.00 0.00 H new ATOM 0 HA MET A 1 6.851 13.218 -6.177 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.460 13.363 -6.883 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.518 11.824 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.157 10.755 -7.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.253 12.209 -7.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.065 14.054 -10.570 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.957 14.076 -9.177 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.684 14.438 -8.946 1.00 0.00 H new ATOM 16 N SER A 2 6.502 12.183 -3.721 1.00 0.00 N ATOM 17 CA SER A 2 6.099 11.225 -2.705 1.00 0.00 C ATOM 18 C SER A 2 4.629 10.847 -2.897 1.00 0.00 C ATOM 19 O SER A 2 3.745 11.695 -2.785 1.00 0.00 O ATOM 20 CB SER A 2 6.322 11.787 -1.299 1.00 0.00 C ATOM 21 OG SER A 2 5.714 13.065 -1.131 1.00 0.00 O ATOM 0 H SER A 2 6.011 13.076 -3.684 1.00 0.00 H new ATOM 0 HA SER A 2 6.715 10.332 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.916 11.093 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.392 11.867 -1.106 1.00 0.00 H new ATOM 0 HG SER A 2 4.881 13.101 -1.646 1.00 0.00 H new ATOM 26 N GLU A 3 4.412 9.572 -3.184 1.00 0.00 N ATOM 27 CA GLU A 3 3.064 9.070 -3.393 1.00 0.00 C ATOM 28 C GLU A 3 2.876 7.736 -2.669 1.00 0.00 C ATOM 29 O GLU A 3 3.749 6.871 -2.717 1.00 0.00 O ATOM 30 CB GLU A 3 2.756 8.932 -4.886 1.00 0.00 C ATOM 31 CG GLU A 3 1.936 10.122 -5.389 1.00 0.00 C ATOM 32 CD GLU A 3 0.498 9.702 -5.703 1.00 0.00 C ATOM 33 OE1 GLU A 3 0.220 9.228 -6.815 1.00 0.00 O ATOM 34 OE2 GLU A 3 -0.344 9.885 -4.744 1.00 0.00 O ATOM 0 H GLU A 3 5.147 8.871 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 3 2.360 9.790 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.687 8.864 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.208 8.007 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.933 10.910 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.401 10.537 -6.283 1.00 0.00 H new ATOM 40 N VAL A 4 1.731 7.612 -2.013 1.00 0.00 N ATOM 41 CA VAL A 4 1.416 6.397 -1.280 1.00 0.00 C ATOM 42 C VAL A 4 0.210 5.712 -1.928 1.00 0.00 C ATOM 43 O VAL A 4 -0.863 6.305 -2.031 1.00 0.00 O ATOM 44 CB VAL A 4 1.197 6.722 0.198 1.00 0.00 C ATOM 45 CG1 VAL A 4 -0.278 7.019 0.481 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.708 5.588 1.090 1.00 0.00 C ATOM 0 H VAL A 4 1.010 8.333 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 4 2.249 5.696 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 4 1.771 7.618 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.407 7.247 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.598 7.873 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.881 6.149 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.540 5.844 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.174 4.668 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.775 5.443 0.919 1.00 0.00 H new ATOM 56 N ASN A 5 0.428 4.475 -2.347 1.00 0.00 N ATOM 57 CA ASN A 5 -0.627 3.703 -2.981 1.00 0.00 C ATOM 58 C ASN A 5 -0.495 2.235 -2.574 1.00 0.00 C ATOM 59 O ASN A 5 0.565 1.633 -2.742 1.00 0.00 O ATOM 60 CB ASN A 5 -0.525 3.782 -4.506 1.00 0.00 C ATOM 61 CG ASN A 5 0.666 2.971 -5.019 1.00 0.00 C ATOM 62 OD1 ASN A 5 0.615 1.759 -5.153 1.00 0.00 O ATOM 63 ND2 ASN A 5 1.740 3.705 -5.298 1.00 0.00 N ATOM 0 H ASN A 5 1.320 3.988 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.585 4.114 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.445 3.408 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.420 4.822 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.587 3.257 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.716 4.716 -5.163 1.00 0.00 H new ATOM 69 N ILE A 6 -1.585 1.700 -2.045 1.00 0.00 N ATOM 70 CA ILE A 6 -1.604 0.313 -1.612 1.00 0.00 C ATOM 71 C ILE A 6 -2.958 -0.308 -1.962 1.00 0.00 C ATOM 72 O ILE A 6 -3.995 0.138 -1.473 1.00 0.00 O ATOM 73 CB ILE A 6 -1.247 0.210 -0.127 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.172 0.721 0.132 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.447 -1.217 0.387 1.00 0.00 C ATOM 76 CD1 ILE A 6 0.191 2.244 0.264 1.00 0.00 C ATOM 0 H ILE A 6 -2.462 2.202 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.843 -0.261 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.927 0.851 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.565 0.269 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.827 0.415 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.186 -1.263 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.489 -1.508 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.808 -1.899 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.211 2.581 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.179 2.694 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.446 2.545 1.096 1.00 0.00 H new ATOM 87 N VAL A 7 -2.905 -1.326 -2.808 1.00 0.00 N ATOM 88 CA VAL A 7 -4.114 -2.012 -3.231 1.00 0.00 C ATOM 89 C VAL A 7 -4.044 -3.477 -2.793 1.00 0.00 C ATOM 90 O VAL A 7 -3.048 -4.155 -3.041 1.00 0.00 O ATOM 91 CB VAL A 7 -4.309 -1.848 -4.740 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.255 -2.638 -5.518 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.722 -2.259 -5.158 1.00 0.00 C ATOM 0 H VAL A 7 -2.043 -1.693 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.989 -1.571 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.182 -0.793 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.416 -2.504 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.261 -2.277 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.336 -3.696 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.834 -2.133 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.890 -3.304 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.450 -1.634 -4.642 1.00 0.00 H new ATOM 103 N VAL A 8 -5.113 -3.921 -2.150 1.00 0.00 N ATOM 104 CA VAL A 8 -5.185 -5.292 -1.675 1.00 0.00 C ATOM 105 C VAL A 8 -6.569 -5.864 -1.987 1.00 0.00 C ATOM 106 O VAL A 8 -7.563 -5.454 -1.389 1.00 0.00 O ATOM 107 CB VAL A 8 -4.837 -5.350 -0.187 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.320 -5.363 0.022 1.00 0.00 C ATOM 109 CG2 VAL A 8 -5.485 -4.191 0.574 1.00 0.00 C ATOM 0 H VAL A 8 -5.937 -3.355 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.453 -5.913 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.239 -6.280 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.100 -5.404 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.892 -6.236 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.886 -4.458 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.221 -4.256 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.128 -3.244 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.568 -4.246 0.467 1.00 0.00 H new ATOM 119 N ASN A 9 -6.590 -6.800 -2.924 1.00 0.00 N ATOM 120 CA ASN A 9 -7.836 -7.432 -3.323 1.00 0.00 C ATOM 121 C ASN A 9 -7.716 -8.946 -3.144 1.00 0.00 C ATOM 122 O ASN A 9 -6.924 -9.595 -3.826 1.00 0.00 O ATOM 123 CB ASN A 9 -8.148 -7.154 -4.795 1.00 0.00 C ATOM 124 CG ASN A 9 -8.018 -5.662 -5.111 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.965 -5.171 -5.483 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.142 -4.974 -4.943 1.00 0.00 N ATOM 0 H ASN A 9 -5.764 -7.136 -3.419 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.634 -7.025 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.468 -7.724 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.158 -7.492 -5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.159 -3.971 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.988 -5.449 -4.629 1.00 0.00 H new ATOM 132 N GLY A 10 -8.513 -9.466 -2.222 1.00 0.00 N ATOM 133 CA GLY A 10 -8.506 -10.892 -1.943 1.00 0.00 C ATOM 134 C GLY A 10 -7.224 -11.302 -1.216 1.00 0.00 C ATOM 135 O GLY A 10 -6.526 -12.218 -1.648 1.00 0.00 O ATOM 0 H GLY A 10 -9.168 -8.925 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.372 -11.151 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.593 -11.449 -2.876 1.00 0.00 H new ATOM 139 N ARG A 11 -6.953 -10.604 -0.123 1.00 0.00 N ATOM 140 CA ARG A 11 -5.767 -10.884 0.669 1.00 0.00 C ATOM 141 C ARG A 11 -4.580 -11.198 -0.244 1.00 0.00 C ATOM 142 O ARG A 11 -4.009 -12.286 -0.174 1.00 0.00 O ATOM 143 CB ARG A 11 -6.001 -12.064 1.614 1.00 0.00 C ATOM 144 CG ARG A 11 -4.963 -12.081 2.738 1.00 0.00 C ATOM 145 CD ARG A 11 -5.011 -13.403 3.509 1.00 0.00 C ATOM 146 NE ARG A 11 -4.571 -14.514 2.635 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.403 -15.246 1.865 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.728 -14.991 1.852 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.901 -16.216 1.123 1.00 0.00 N ATOM 0 H ARG A 11 -7.534 -9.845 0.233 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.548 -9.996 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.002 -12.000 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.951 -12.998 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.967 -11.936 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.147 -11.251 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.369 -13.345 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.024 -13.589 3.866 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.577 -14.740 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.108 -14.240 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.349 -15.550 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.898 -16.402 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.516 -16.779 0.535 1.00 0.00 H new ATOM 159 N GLU A 12 -4.245 -10.227 -1.081 1.00 0.00 N ATOM 160 CA GLU A 12 -3.137 -10.388 -2.007 1.00 0.00 C ATOM 161 C GLU A 12 -1.814 -10.051 -1.316 1.00 0.00 C ATOM 162 O GLU A 12 -1.681 -8.990 -0.707 1.00 0.00 O ATOM 163 CB GLU A 12 -3.338 -9.527 -3.256 1.00 0.00 C ATOM 164 CG GLU A 12 -2.281 -9.845 -4.316 1.00 0.00 C ATOM 165 CD GLU A 12 -2.875 -9.763 -5.724 1.00 0.00 C ATOM 166 OE1 GLU A 12 -4.086 -9.542 -5.874 1.00 0.00 O ATOM 167 OE2 GLU A 12 -2.031 -9.940 -6.683 1.00 0.00 O ATOM 0 H GLU A 12 -4.721 -9.327 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.103 -11.430 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.333 -9.701 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.283 -8.472 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.449 -9.146 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.878 -10.843 -4.145 1.00 0.00 H new ATOM 173 N ALA A 13 -0.870 -10.973 -1.433 1.00 0.00 N ATOM 174 CA ALA A 13 0.438 -10.786 -0.827 1.00 0.00 C ATOM 175 C ALA A 13 1.515 -10.899 -1.906 1.00 0.00 C ATOM 176 O ALA A 13 1.226 -11.273 -3.042 1.00 0.00 O ATOM 177 CB ALA A 13 0.629 -11.807 0.297 1.00 0.00 C ATOM 0 H ALA A 13 -0.984 -11.852 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 13 0.518 -9.793 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.610 -11.668 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.145 -11.666 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.558 -12.815 -0.111 1.00 0.00 H new ATOM 183 N GLY A 14 2.738 -10.568 -1.515 1.00 0.00 N ATOM 184 CA GLY A 14 3.860 -10.627 -2.434 1.00 0.00 C ATOM 185 C GLY A 14 4.517 -9.253 -2.587 1.00 0.00 C ATOM 186 O GLY A 14 4.667 -8.753 -3.700 1.00 0.00 O ATOM 0 H GLY A 14 2.975 -10.258 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.594 -11.347 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.520 -10.982 -3.407 1.00 0.00 H new ATOM 190 N SER A 15 4.891 -8.683 -1.451 1.00 0.00 N ATOM 191 CA SER A 15 5.528 -7.377 -1.444 1.00 0.00 C ATOM 192 C SER A 15 6.405 -7.229 -0.199 1.00 0.00 C ATOM 193 O SER A 15 6.491 -8.145 0.617 1.00 0.00 O ATOM 194 CB SER A 15 4.488 -6.257 -1.497 1.00 0.00 C ATOM 195 OG SER A 15 4.287 -5.655 -0.220 1.00 0.00 O ATOM 0 H SER A 15 4.765 -9.101 -0.529 1.00 0.00 H new ATOM 0 HA SER A 15 6.154 -7.297 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.809 -5.497 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.542 -6.657 -1.862 1.00 0.00 H new ATOM 0 HG SER A 15 4.508 -4.702 -0.269 1.00 0.00 H new ATOM 200 N LYS A 16 7.037 -6.068 -0.094 1.00 0.00 N ATOM 201 CA LYS A 16 7.904 -5.789 1.038 1.00 0.00 C ATOM 202 C LYS A 16 7.056 -5.322 2.222 1.00 0.00 C ATOM 203 O LYS A 16 7.589 -4.829 3.216 1.00 0.00 O ATOM 204 CB LYS A 16 9.002 -4.801 0.639 1.00 0.00 C ATOM 205 CG LYS A 16 10.312 -5.530 0.337 1.00 0.00 C ATOM 206 CD LYS A 16 11.128 -4.777 -0.716 1.00 0.00 C ATOM 207 CE LYS A 16 12.190 -3.893 -0.058 1.00 0.00 C ATOM 208 NZ LYS A 16 12.535 -2.755 -0.939 1.00 0.00 N ATOM 0 H LYS A 16 6.966 -5.311 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 16 8.421 -6.695 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.686 -4.235 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.159 -4.082 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.896 -5.630 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.098 -6.539 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.608 -5.489 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.464 -4.163 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.821 -3.522 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.083 -4.482 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.257 -2.165 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.907 -3.115 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.684 -2.184 -1.118 1.00 0.00 H new ATOM 217 N SER A 17 5.749 -5.493 2.078 1.00 0.00 N ATOM 218 CA SER A 17 4.822 -5.095 3.124 1.00 0.00 C ATOM 219 C SER A 17 4.776 -6.165 4.217 1.00 0.00 C ATOM 220 O SER A 17 4.218 -5.938 5.289 1.00 0.00 O ATOM 221 CB SER A 17 3.423 -4.855 2.556 1.00 0.00 C ATOM 222 OG SER A 17 2.739 -6.075 2.284 1.00 0.00 O ATOM 0 H SER A 17 5.311 -5.902 1.253 1.00 0.00 H new ATOM 0 HA SER A 17 5.174 -4.159 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.841 -4.264 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.500 -4.271 1.639 1.00 0.00 H new ATOM 0 HG SER A 17 2.977 -6.391 1.387 1.00 0.00 H new ATOM 227 N LYS A 18 5.369 -7.309 3.906 1.00 0.00 N ATOM 228 CA LYS A 18 5.402 -8.414 4.849 1.00 0.00 C ATOM 229 C LYS A 18 6.330 -8.060 6.013 1.00 0.00 C ATOM 230 O LYS A 18 5.954 -8.197 7.175 1.00 0.00 O ATOM 231 CB LYS A 18 5.778 -9.714 4.137 1.00 0.00 C ATOM 232 CG LYS A 18 4.955 -9.898 2.860 1.00 0.00 C ATOM 233 CD LYS A 18 3.456 -9.861 3.163 1.00 0.00 C ATOM 234 CE LYS A 18 3.055 -11.014 4.086 1.00 0.00 C ATOM 235 NZ LYS A 18 1.767 -11.601 3.654 1.00 0.00 N ATOM 0 H LYS A 18 5.830 -7.494 3.015 1.00 0.00 H new ATOM 0 HA LYS A 18 4.412 -8.583 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.840 -9.704 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.613 -10.559 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.205 -9.113 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.212 -10.848 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.199 -8.910 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.892 -9.922 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.831 -11.780 4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.972 -10.654 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.826 -12.638 3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.007 -11.270 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.562 -11.308 2.677 1.00 0.00 H new ATOM 244 N GLY A 19 7.525 -7.609 5.658 1.00 0.00 N ATOM 245 CA GLY A 19 8.509 -7.234 6.659 1.00 0.00 C ATOM 246 C GLY A 19 8.126 -5.918 7.339 1.00 0.00 C ATOM 247 O GLY A 19 6.947 -5.575 7.415 1.00 0.00 O ATOM 0 H GLY A 19 7.833 -7.495 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.591 -8.023 7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.489 -7.134 6.192 1.00 0.00 H new ATOM 251 N CYS A 20 9.144 -5.218 7.816 1.00 0.00 N ATOM 252 CA CYS A 20 8.928 -3.947 8.487 1.00 0.00 C ATOM 253 C CYS A 20 9.098 -2.826 7.460 1.00 0.00 C ATOM 254 O CYS A 20 9.539 -3.069 6.337 1.00 0.00 O ATOM 255 CB CYS A 20 9.867 -3.772 9.682 1.00 0.00 C ATOM 256 SG CYS A 20 9.430 -4.963 11.000 1.00 0.00 S ATOM 0 H CYS A 20 10.120 -5.506 7.751 1.00 0.00 H new ATOM 0 HA CYS A 20 7.917 -3.915 8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.900 -3.926 9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.798 -2.753 10.063 1.00 0.00 H new ATOM 0 HG CYS A 20 10.234 -4.808 12.009 1.00 0.00 H new ATOM 261 N ALA A 21 8.739 -1.622 7.881 1.00 0.00 N ATOM 262 CA ALA A 21 8.846 -0.463 7.010 1.00 0.00 C ATOM 263 C ALA A 21 10.323 -0.158 6.752 1.00 0.00 C ATOM 264 O ALA A 21 10.733 0.018 5.606 1.00 0.00 O ATOM 265 CB ALA A 21 8.108 0.719 7.642 1.00 0.00 C ATOM 0 H ALA A 21 8.374 -1.424 8.813 1.00 0.00 H new ATOM 0 HA ALA A 21 8.378 -0.663 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.188 1.589 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.057 0.462 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.552 0.950 8.610 1.00 0.00 H new ATOM 271 N LEU A 22 11.082 -0.107 7.838 1.00 0.00 N ATOM 272 CA LEU A 22 12.505 0.173 7.743 1.00 0.00 C ATOM 273 C LEU A 22 13.141 -0.778 6.728 1.00 0.00 C ATOM 274 O LEU A 22 13.715 -0.336 5.733 1.00 0.00 O ATOM 275 CB LEU A 22 13.154 0.120 9.128 1.00 0.00 C ATOM 276 CG LEU A 22 14.591 0.636 9.214 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.580 -0.520 9.380 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.933 1.513 8.008 1.00 0.00 C ATOM 0 H LEU A 22 10.738 -0.255 8.787 1.00 0.00 H new ATOM 0 HA LEU A 22 12.671 1.186 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.539 0.698 9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.138 -0.913 9.476 1.00 0.00 H new ATOM 0 HG LEU A 22 14.675 1.263 10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.594 -0.125 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.350 -1.067 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.501 -1.192 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.960 1.866 8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.826 0.931 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.257 2.367 7.976 1.00 0.00 H new ATOM 289 N CYS A 23 13.016 -2.065 7.012 1.00 0.00 N ATOM 290 CA CYS A 23 13.572 -3.083 6.137 1.00 0.00 C ATOM 291 C CYS A 23 12.588 -4.252 6.073 1.00 0.00 C ATOM 292 O CYS A 23 12.012 -4.640 7.089 1.00 0.00 O ATOM 293 CB CYS A 23 14.961 -3.530 6.598 1.00 0.00 C ATOM 294 SG CYS A 23 14.843 -4.356 8.226 1.00 0.00 S ATOM 0 H CYS A 23 12.537 -2.427 7.837 1.00 0.00 H new ATOM 0 HA CYS A 23 13.709 -2.670 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.395 -4.211 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.626 -2.669 6.665 1.00 0.00 H new ATOM 0 HG CYS A 23 13.638 -4.815 8.393 1.00 0.00 H new ATOM 299 N GLY A 24 12.425 -4.782 4.870 1.00 0.00 N ATOM 300 CA GLY A 24 11.519 -5.899 4.661 1.00 0.00 C ATOM 301 C GLY A 24 12.255 -7.234 4.799 1.00 0.00 C ATOM 302 O GLY A 24 12.549 -7.892 3.802 1.00 0.00 O ATOM 0 H GLY A 24 12.905 -4.459 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.705 -5.852 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.070 -5.828 3.670 1.00 0.00 H new ATOM 306 N ALA A 25 12.530 -7.594 6.043 1.00 0.00 N ATOM 307 CA ALA A 25 13.227 -8.838 6.325 1.00 0.00 C ATOM 308 C ALA A 25 12.256 -9.823 6.980 1.00 0.00 C ATOM 309 O ALA A 25 12.446 -11.035 6.897 1.00 0.00 O ATOM 310 CB ALA A 25 14.448 -8.554 7.202 1.00 0.00 C ATOM 0 H ALA A 25 12.283 -7.047 6.868 1.00 0.00 H new ATOM 0 HA ALA A 25 13.588 -9.293 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.970 -9.488 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.120 -7.873 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.125 -8.099 8.139 1.00 0.00 H new ATOM 316 N THR A 26 11.236 -9.265 7.617 1.00 0.00 N ATOM 317 CA THR A 26 10.236 -10.079 8.286 1.00 0.00 C ATOM 318 C THR A 26 9.094 -10.417 7.325 1.00 0.00 C ATOM 319 O THR A 26 8.980 -9.818 6.256 1.00 0.00 O ATOM 320 CB THR A 26 9.775 -9.329 9.537 1.00 0.00 C ATOM 321 OG1 THR A 26 10.925 -9.319 10.378 1.00 0.00 O ATOM 322 CG2 THR A 26 8.733 -10.112 10.339 1.00 0.00 C ATOM 0 H THR A 26 11.081 -8.259 7.684 1.00 0.00 H new ATOM 0 HA THR A 26 10.651 -11.037 8.599 1.00 0.00 H new ATOM 0 HB THR A 26 9.360 -8.363 9.249 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.716 -8.850 11.213 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.440 -9.535 11.216 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.857 -10.296 9.716 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.158 -11.064 10.657 1.00 0.00 H new ATOM 330 N TRP A 27 8.277 -11.374 7.739 1.00 0.00 N ATOM 331 CA TRP A 27 7.148 -11.798 6.928 1.00 0.00 C ATOM 332 C TRP A 27 6.047 -12.290 7.871 1.00 0.00 C ATOM 333 O TRP A 27 6.334 -12.889 8.906 1.00 0.00 O ATOM 334 CB TRP A 27 7.573 -12.853 5.905 1.00 0.00 C ATOM 335 CG TRP A 27 7.759 -14.253 6.494 1.00 0.00 C ATOM 336 CD1 TRP A 27 8.103 -14.581 7.747 1.00 0.00 C ATOM 337 CD2 TRP A 27 7.596 -15.506 5.799 1.00 0.00 C ATOM 338 NE1 TRP A 27 8.173 -15.950 7.909 1.00 0.00 N ATOM 339 CE2 TRP A 27 7.855 -16.531 6.687 1.00 0.00 C ATOM 340 CE3 TRP A 27 7.241 -15.767 4.463 1.00 0.00 C ATOM 341 CZ2 TRP A 27 7.787 -17.885 6.337 1.00 0.00 C ATOM 342 CZ3 TRP A 27 7.177 -17.126 4.130 1.00 0.00 C ATOM 343 CH2 TRP A 27 7.435 -18.167 5.012 1.00 0.00 C ATOM 0 H TRP A 27 8.374 -11.868 8.626 1.00 0.00 H new ATOM 0 HA TRP A 27 6.759 -10.965 6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.824 -12.899 5.114 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.508 -12.538 5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.300 -13.865 8.531 1.00 0.00 H new ATOM 0 HE1 TRP A 27 8.414 -16.445 8.768 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.034 -14.982 3.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.995 -18.669 7.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 6.908 -17.382 3.116 1.00 0.00 H new ATOM 0 HH2 TRP A 27 7.364 -19.191 4.677 1.00 0.00 H new ATOM 353 N GLY A 28 4.812 -12.016 7.478 1.00 0.00 N ATOM 354 CA GLY A 28 3.667 -12.423 8.275 1.00 0.00 C ATOM 355 C GLY A 28 2.359 -11.956 7.633 1.00 0.00 C ATOM 356 O GLY A 28 1.925 -10.826 7.851 1.00 0.00 O ATOM 0 H GLY A 28 4.579 -11.518 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.659 -13.508 8.378 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.752 -12.008 9.279 1.00 0.00 H new ATOM 360 N ASP A 29 1.766 -12.851 6.856 1.00 0.00 N ATOM 361 CA ASP A 29 0.516 -12.544 6.181 1.00 0.00 C ATOM 362 C ASP A 29 -0.618 -12.514 7.208 1.00 0.00 C ATOM 363 O ASP A 29 -1.617 -11.823 7.013 1.00 0.00 O ATOM 364 CB ASP A 29 0.180 -13.610 5.135 1.00 0.00 C ATOM 365 CG ASP A 29 -0.293 -14.949 5.706 1.00 0.00 C ATOM 366 OD1 ASP A 29 0.425 -15.604 6.475 1.00 0.00 O ATOM 367 OD2 ASP A 29 -1.468 -15.319 5.325 1.00 0.00 O ATOM 0 H ASP A 29 2.128 -13.788 6.679 1.00 0.00 H new ATOM 0 HA ASP A 29 0.625 -11.578 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.595 -13.219 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.063 -13.786 4.520 1.00 0.00 H new ATOM 372 N TYR A 30 -0.426 -13.271 8.277 1.00 0.00 N ATOM 373 CA TYR A 30 -1.420 -13.340 9.334 1.00 0.00 C ATOM 374 C TYR A 30 -1.683 -11.955 9.930 1.00 0.00 C ATOM 375 O TYR A 30 -2.691 -11.746 10.604 1.00 0.00 O ATOM 376 CB TYR A 30 -0.824 -14.242 10.416 1.00 0.00 C ATOM 377 CG TYR A 30 -0.279 -15.571 9.888 1.00 0.00 C ATOM 378 CD1 TYR A 30 -1.150 -16.570 9.504 1.00 0.00 C ATOM 379 CD2 TYR A 30 1.083 -15.769 9.796 1.00 0.00 C ATOM 380 CE1 TYR A 30 -0.636 -17.820 9.007 1.00 0.00 C ATOM 381 CE2 TYR A 30 1.597 -17.019 9.298 1.00 0.00 C ATOM 382 CZ TYR A 30 0.711 -17.983 8.929 1.00 0.00 C ATOM 383 OH TYR A 30 1.196 -19.164 8.458 1.00 0.00 O ATOM 0 H TYR A 30 0.404 -13.843 8.434 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.365 -13.720 8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.020 -13.706 10.919 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.588 -14.447 11.166 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.216 -16.415 9.576 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.764 -14.987 10.097 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.306 -18.610 8.703 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.661 -17.187 9.219 1.00 0.00 H new ATOM 0 HH TYR A 30 2.176 -19.138 8.457 1.00 0.00 H new ATOM 392 N HIS A 31 -0.759 -11.045 9.660 1.00 0.00 N ATOM 393 CA HIS A 31 -0.879 -9.685 10.160 1.00 0.00 C ATOM 394 C HIS A 31 -1.486 -8.791 9.077 1.00 0.00 C ATOM 395 O HIS A 31 -1.729 -9.243 7.959 1.00 0.00 O ATOM 396 CB HIS A 31 0.470 -9.173 10.666 1.00 0.00 C ATOM 397 CG HIS A 31 1.341 -10.240 11.284 1.00 0.00 C ATOM 398 ND1 HIS A 31 0.825 -11.387 11.861 1.00 0.00 N ATOM 399 CD2 HIS A 31 2.697 -10.323 11.406 1.00 0.00 C ATOM 400 CE1 HIS A 31 1.834 -12.120 12.310 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.994 -11.458 12.027 1.00 0.00 N ATOM 0 H HIS A 31 0.076 -11.222 9.102 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.554 -9.666 11.016 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.008 -8.716 9.835 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.296 -8.389 11.403 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.409 -9.590 11.057 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.753 -13.073 12.811 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.934 -11.782 12.255 1.00 0.00 H new ATOM 408 N ALA A 32 -1.712 -7.540 9.447 1.00 0.00 N ATOM 409 CA ALA A 32 -2.286 -6.578 8.522 1.00 0.00 C ATOM 410 C ALA A 32 -1.191 -5.622 8.042 1.00 0.00 C ATOM 411 O ALA A 32 -0.267 -5.306 8.790 1.00 0.00 O ATOM 412 CB ALA A 32 -3.445 -5.844 9.200 1.00 0.00 C ATOM 0 H ALA A 32 -1.508 -7.170 10.375 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.690 -7.084 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.875 -5.123 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.209 -6.564 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.078 -5.322 10.084 1.00 0.00 H new ATOM 418 N ASP A 33 -1.331 -5.188 6.798 1.00 0.00 N ATOM 419 CA ASP A 33 -0.366 -4.275 6.210 1.00 0.00 C ATOM 420 C ASP A 33 -0.935 -2.856 6.230 1.00 0.00 C ATOM 421 O ASP A 33 -2.125 -2.656 5.986 1.00 0.00 O ATOM 422 CB ASP A 33 -0.073 -4.646 4.755 1.00 0.00 C ATOM 423 CG ASP A 33 -1.171 -5.452 4.059 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.365 -6.644 4.343 1.00 0.00 O ATOM 425 OD2 ASP A 33 -1.853 -4.799 3.181 1.00 0.00 O ATOM 0 H ASP A 33 -2.099 -5.452 6.181 1.00 0.00 H new ATOM 0 HA ASP A 33 0.554 -4.337 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.098 -3.730 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.854 -5.219 4.722 1.00 0.00 H new ATOM 430 N PHE A 34 -0.060 -1.905 6.524 1.00 0.00 N ATOM 431 CA PHE A 34 -0.461 -0.510 6.581 1.00 0.00 C ATOM 432 C PHE A 34 -0.129 0.208 5.270 1.00 0.00 C ATOM 433 O PHE A 34 0.406 -0.398 4.344 1.00 0.00 O ATOM 434 CB PHE A 34 0.331 0.138 7.718 1.00 0.00 C ATOM 435 CG PHE A 34 -0.186 -0.214 9.114 1.00 0.00 C ATOM 436 CD1 PHE A 34 -0.308 -1.516 9.487 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.522 0.776 9.984 1.00 0.00 C ATOM 438 CE1 PHE A 34 -0.787 -1.841 10.783 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.001 0.451 11.279 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.124 -0.851 11.652 1.00 0.00 C ATOM 0 H PHE A 34 0.926 -2.074 6.725 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.536 -0.438 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.375 -0.167 7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.305 1.221 7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.040 -2.303 8.797 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.424 1.810 9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.884 -2.875 11.079 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.268 1.238 11.969 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.489 -1.098 12.638 1.00 0.00 H new ATOM 449 N LEU A 35 -0.462 1.491 5.236 1.00 0.00 N ATOM 450 CA LEU A 35 -0.206 2.298 4.055 1.00 0.00 C ATOM 451 C LEU A 35 1.303 2.497 3.896 1.00 0.00 C ATOM 452 O LEU A 35 1.763 2.982 2.863 1.00 0.00 O ATOM 453 CB LEU A 35 -0.996 3.607 4.119 1.00 0.00 C ATOM 454 CG LEU A 35 -2.339 3.616 3.385 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.120 4.897 3.687 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.145 3.403 1.882 1.00 0.00 C ATOM 0 H LEU A 35 -0.906 1.990 6.006 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.556 1.785 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.175 3.849 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.375 4.404 3.709 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.935 2.781 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.070 4.878 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.307 4.965 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.540 5.761 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.115 3.414 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.522 4.201 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.660 2.442 1.710 1.00 0.00 H new ATOM 467 N GLY A 36 2.031 2.115 4.934 1.00 0.00 N ATOM 468 CA GLY A 36 3.478 2.246 4.923 1.00 0.00 C ATOM 469 C GLY A 36 4.140 0.970 4.399 1.00 0.00 C ATOM 470 O GLY A 36 5.349 0.793 4.533 1.00 0.00 O ATOM 0 H GLY A 36 1.646 1.714 5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.765 3.092 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.835 2.458 5.931 1.00 0.00 H new ATOM 474 N GLU A 37 3.318 0.112 3.813 1.00 0.00 N ATOM 475 CA GLU A 37 3.808 -1.143 3.269 1.00 0.00 C ATOM 476 C GLU A 37 4.768 -1.811 4.255 1.00 0.00 C ATOM 477 O GLU A 37 5.909 -2.112 3.908 1.00 0.00 O ATOM 478 CB GLU A 37 4.479 -0.927 1.910 1.00 0.00 C ATOM 479 CG GLU A 37 4.020 -1.977 0.898 1.00 0.00 C ATOM 480 CD GLU A 37 3.990 -1.399 -0.519 1.00 0.00 C ATOM 481 OE1 GLU A 37 3.224 -0.462 -0.789 1.00 0.00 O ATOM 482 OE2 GLU A 37 4.800 -1.958 -1.353 1.00 0.00 O ATOM 0 H GLU A 37 2.315 0.261 3.703 1.00 0.00 H new ATOM 0 HA GLU A 37 2.957 -1.807 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.242 0.070 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.562 -0.975 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.691 -2.835 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.028 -2.338 1.168 1.00 0.00 H new ATOM 488 N ASP A 38 4.271 -2.022 5.464 1.00 0.00 N ATOM 489 CA ASP A 38 5.072 -2.648 6.503 1.00 0.00 C ATOM 490 C ASP A 38 4.155 -3.432 7.445 1.00 0.00 C ATOM 491 O ASP A 38 2.932 -3.365 7.323 1.00 0.00 O ATOM 492 CB ASP A 38 5.816 -1.599 7.333 1.00 0.00 C ATOM 493 CG ASP A 38 4.921 -0.563 8.017 1.00 0.00 C ATOM 494 OD1 ASP A 38 4.240 -0.862 9.009 1.00 0.00 O ATOM 495 OD2 ASP A 38 4.942 0.611 7.483 1.00 0.00 O ATOM 0 H ASP A 38 3.324 -1.771 5.748 1.00 0.00 H new ATOM 0 HA ASP A 38 5.795 -3.306 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.403 -2.110 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.521 -1.077 6.685 1.00 0.00 H new ATOM 500 N LEU A 39 4.780 -4.154 8.362 1.00 0.00 N ATOM 501 CA LEU A 39 4.035 -4.950 9.324 1.00 0.00 C ATOM 502 C LEU A 39 4.422 -4.522 10.740 1.00 0.00 C ATOM 503 O LEU A 39 5.585 -4.624 11.128 1.00 0.00 O ATOM 504 CB LEU A 39 4.237 -6.442 9.055 1.00 0.00 C ATOM 505 CG LEU A 39 2.990 -7.224 8.639 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.334 -6.596 7.408 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.315 -8.703 8.423 1.00 0.00 C ATOM 0 H LEU A 39 5.794 -4.205 8.460 1.00 0.00 H new ATOM 0 HA LEU A 39 2.965 -4.773 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.988 -6.551 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.646 -6.901 9.955 1.00 0.00 H new ATOM 0 HG LEU A 39 2.267 -7.170 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.450 -7.171 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.043 -5.570 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.041 -6.598 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.411 -9.235 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.065 -8.800 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.701 -9.130 9.349 1.00 0.00 H new ATOM 518 N PHE A 40 3.425 -4.052 11.475 1.00 0.00 N ATOM 519 CA PHE A 40 3.646 -3.608 12.841 1.00 0.00 C ATOM 520 C PHE A 40 3.101 -4.628 13.844 1.00 0.00 C ATOM 521 O PHE A 40 2.831 -4.289 14.995 1.00 0.00 O ATOM 522 CB PHE A 40 2.889 -2.289 13.011 1.00 0.00 C ATOM 523 CG PHE A 40 1.485 -2.448 13.600 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.534 -3.137 12.914 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.190 -1.902 14.810 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.768 -3.284 13.460 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.112 -2.049 15.356 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.064 -2.738 14.670 1.00 0.00 C ATOM 0 H PHE A 40 2.462 -3.969 11.150 1.00 0.00 H new ATOM 0 HA PHE A 40 4.714 -3.491 13.026 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.470 -1.629 13.656 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.811 -1.799 12.041 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.769 -3.572 11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.946 -1.357 15.355 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.524 -3.830 12.914 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.347 -1.614 16.316 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.054 -2.851 15.086 1.00 0.00 H new ATOM 537 N PHE A 41 2.957 -5.857 13.370 1.00 0.00 N ATOM 538 CA PHE A 41 2.449 -6.928 14.210 1.00 0.00 C ATOM 539 C PHE A 41 3.552 -7.936 14.540 1.00 0.00 C ATOM 540 O PHE A 41 3.313 -8.915 15.244 1.00 0.00 O ATOM 541 CB PHE A 41 1.349 -7.636 13.417 1.00 0.00 C ATOM 542 CG PHE A 41 0.424 -8.503 14.274 1.00 0.00 C ATOM 543 CD1 PHE A 41 0.752 -9.798 14.531 1.00 0.00 C ATOM 544 CD2 PHE A 41 -0.726 -7.979 14.778 1.00 0.00 C ATOM 545 CE1 PHE A 41 -0.106 -10.603 15.327 1.00 0.00 C ATOM 546 CE2 PHE A 41 -1.584 -8.784 15.572 1.00 0.00 C ATOM 547 CZ PHE A 41 -1.256 -10.078 15.830 1.00 0.00 C ATOM 0 H PHE A 41 3.183 -6.135 12.415 1.00 0.00 H new ATOM 0 HA PHE A 41 2.075 -6.519 15.148 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.751 -6.888 12.898 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.811 -8.261 12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.664 -10.214 14.130 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.986 -6.951 14.574 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.154 -11.631 15.533 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.497 -8.369 15.971 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.909 -10.690 16.435 1.00 0.00 H new ATOM 556 N CYS A 42 4.738 -7.659 14.017 1.00 0.00 N ATOM 557 CA CYS A 42 5.879 -8.529 14.247 1.00 0.00 C ATOM 558 C CYS A 42 6.832 -7.824 15.215 1.00 0.00 C ATOM 559 O CYS A 42 7.184 -8.377 16.257 1.00 0.00 O ATOM 560 CB CYS A 42 6.574 -8.909 12.937 1.00 0.00 C ATOM 561 SG CYS A 42 6.690 -7.446 11.844 1.00 0.00 S ATOM 0 H CYS A 42 4.933 -6.844 13.435 1.00 0.00 H new ATOM 0 HA CYS A 42 5.542 -9.467 14.688 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.571 -9.299 13.144 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.019 -9.703 12.438 1.00 0.00 H new ATOM 0 HG CYS A 42 7.896 -6.962 11.893 1.00 0.00 H new ATOM 566 N CYS A 43 7.223 -6.617 14.837 1.00 0.00 N ATOM 567 CA CYS A 43 8.128 -5.832 15.659 1.00 0.00 C ATOM 568 C CYS A 43 7.325 -4.712 16.324 1.00 0.00 C ATOM 569 O CYS A 43 7.281 -4.619 17.550 1.00 0.00 O ATOM 570 CB CYS A 43 9.301 -5.285 14.844 1.00 0.00 C ATOM 571 SG CYS A 43 10.694 -6.472 14.879 1.00 0.00 S ATOM 0 H CYS A 43 6.930 -6.163 13.972 1.00 0.00 H new ATOM 0 HA CYS A 43 8.569 -6.467 16.427 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.989 -5.108 13.815 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.620 -4.325 15.250 1.00 0.00 H new ATOM 0 HG CYS A 43 11.684 -5.999 14.182 1.00 0.00 H new ATOM 576 N ASP A 44 6.709 -3.891 15.486 1.00 0.00 N ATOM 577 CA ASP A 44 5.910 -2.782 15.978 1.00 0.00 C ATOM 578 C ASP A 44 6.789 -1.862 16.827 1.00 0.00 C ATOM 579 O ASP A 44 6.281 -1.022 17.568 1.00 0.00 O ATOM 580 CB ASP A 44 4.759 -3.279 16.855 1.00 0.00 C ATOM 581 CG ASP A 44 5.106 -3.462 18.333 1.00 0.00 C ATOM 582 OD1 ASP A 44 5.251 -2.483 19.081 1.00 0.00 O ATOM 583 OD2 ASP A 44 5.229 -4.687 18.717 1.00 0.00 O ATOM 0 H ASP A 44 6.747 -3.972 14.470 1.00 0.00 H new ATOM 0 HA ASP A 44 5.504 -2.251 15.117 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.931 -2.574 16.776 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.406 -4.231 16.460 1.00 0.00 H new ATOM 588 N ILE A 45 8.093 -2.053 16.691 1.00 0.00 N ATOM 589 CA ILE A 45 9.048 -1.251 17.438 1.00 0.00 C ATOM 590 C ILE A 45 9.670 -0.208 16.507 1.00 0.00 C ATOM 591 O ILE A 45 9.507 0.992 16.716 1.00 0.00 O ATOM 592 CB ILE A 45 10.077 -2.148 18.130 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.521 -2.705 19.442 1.00 0.00 C ATOM 594 CG2 ILE A 45 11.399 -1.408 18.335 1.00 0.00 C ATOM 595 CD1 ILE A 45 10.367 -3.881 19.939 1.00 0.00 C ATOM 0 H ILE A 45 8.511 -2.751 16.075 1.00 0.00 H new ATOM 0 HA ILE A 45 8.545 -0.707 18.237 1.00 0.00 H new ATOM 0 HB ILE A 45 10.283 -2.998 17.480 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.504 -1.919 20.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.491 -3.029 19.296 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.113 -2.068 18.829 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.798 -1.101 17.368 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.231 -0.527 18.955 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.951 -4.259 20.873 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.362 -4.675 19.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.391 -3.547 20.107 1.00 0.00 H new ATOM 606 N CYS A 46 10.369 -0.705 15.497 1.00 0.00 N ATOM 607 CA CYS A 46 11.016 0.169 14.533 1.00 0.00 C ATOM 608 C CYS A 46 10.035 0.431 13.389 1.00 0.00 C ATOM 609 O CYS A 46 10.255 1.323 12.571 1.00 0.00 O ATOM 610 CB CYS A 46 12.334 -0.422 14.030 1.00 0.00 C ATOM 611 SG CYS A 46 13.043 0.648 12.725 1.00 0.00 S ATOM 0 H CYS A 46 10.501 -1.702 15.325 1.00 0.00 H new ATOM 0 HA CYS A 46 11.276 1.113 15.011 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.038 -0.517 14.856 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.166 -1.425 13.638 1.00 0.00 H new ATOM 0 HG CYS A 46 12.094 1.341 12.169 1.00 0.00 H new ATOM 616 N ALA A 47 8.973 -0.361 13.369 1.00 0.00 N ATOM 617 CA ALA A 47 7.957 -0.225 12.339 1.00 0.00 C ATOM 618 C ALA A 47 6.769 0.558 12.900 1.00 0.00 C ATOM 619 O ALA A 47 6.682 0.780 14.107 1.00 0.00 O ATOM 620 CB ALA A 47 7.555 -1.611 11.832 1.00 0.00 C ATOM 0 H ALA A 47 8.794 -1.099 14.050 1.00 0.00 H new ATOM 0 HA ALA A 47 8.346 0.333 11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.793 -1.509 11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.428 -2.114 11.416 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.157 -2.200 12.659 1.00 0.00 H new ATOM 626 N ALA A 48 5.883 0.955 11.999 1.00 0.00 N ATOM 627 CA ALA A 48 4.703 1.708 12.390 1.00 0.00 C ATOM 628 C ALA A 48 5.088 3.174 12.607 1.00 0.00 C ATOM 629 O ALA A 48 5.013 3.679 13.725 1.00 0.00 O ATOM 630 CB ALA A 48 4.084 1.076 13.637 1.00 0.00 C ATOM 0 H ALA A 48 5.958 0.769 10.999 1.00 0.00 H new ATOM 0 HA ALA A 48 3.950 1.678 11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.199 1.641 13.930 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.802 0.046 13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.809 1.090 14.450 1.00 0.00 H new ATOM 636 N GLU A 49 5.493 3.814 11.520 1.00 0.00 N ATOM 637 CA GLU A 49 5.890 5.210 11.578 1.00 0.00 C ATOM 638 C GLU A 49 4.663 6.116 11.446 1.00 0.00 C ATOM 639 O GLU A 49 3.658 5.724 10.856 1.00 0.00 O ATOM 640 CB GLU A 49 6.927 5.531 10.500 1.00 0.00 C ATOM 641 CG GLU A 49 8.349 5.347 11.034 1.00 0.00 C ATOM 642 CD GLU A 49 8.956 6.690 11.449 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.350 7.745 11.207 1.00 0.00 O ATOM 644 OE2 GLU A 49 10.097 6.611 12.043 1.00 0.00 O ATOM 0 H GLU A 49 5.555 3.391 10.594 1.00 0.00 H new ATOM 0 HA GLU A 49 6.353 5.396 12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.772 4.883 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.794 6.557 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.336 4.670 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.972 4.883 10.269 1.00 0.00 H new ATOM 650 N PHE A 50 4.787 7.310 12.007 1.00 0.00 N ATOM 651 CA PHE A 50 3.702 8.275 11.960 1.00 0.00 C ATOM 652 C PHE A 50 3.601 8.919 10.576 1.00 0.00 C ATOM 653 O PHE A 50 2.759 9.788 10.351 1.00 0.00 O ATOM 654 CB PHE A 50 4.021 9.358 12.992 1.00 0.00 C ATOM 655 CG PHE A 50 5.433 9.934 12.873 1.00 0.00 C ATOM 656 CD1 PHE A 50 5.690 10.923 11.975 1.00 0.00 C ATOM 657 CD2 PHE A 50 6.431 9.458 13.665 1.00 0.00 C ATOM 658 CE1 PHE A 50 7.001 11.459 11.865 1.00 0.00 C ATOM 659 CE2 PHE A 50 7.742 9.993 13.554 1.00 0.00 C ATOM 660 CZ PHE A 50 7.999 10.983 12.656 1.00 0.00 C ATOM 0 H PHE A 50 5.622 7.631 12.496 1.00 0.00 H new ATOM 0 HA PHE A 50 2.754 7.780 12.171 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.299 10.168 12.888 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.892 8.942 13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.898 11.301 11.346 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.227 8.673 14.378 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.205 12.245 11.153 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.535 9.614 14.182 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.996 11.390 12.572 1.00 0.00 H new ATOM 669 N MET A 51 4.471 8.470 9.684 1.00 0.00 N ATOM 670 CA MET A 51 4.491 8.992 8.328 1.00 0.00 C ATOM 671 C MET A 51 3.279 8.501 7.533 1.00 0.00 C ATOM 672 O MET A 51 3.091 8.886 6.381 1.00 0.00 O ATOM 673 CB MET A 51 5.777 8.547 7.628 1.00 0.00 C ATOM 674 CG MET A 51 6.638 9.752 7.246 1.00 0.00 C ATOM 675 SD MET A 51 8.334 9.242 7.019 1.00 0.00 S ATOM 676 CE MET A 51 9.105 10.120 8.368 1.00 0.00 C ATOM 0 H MET A 51 5.168 7.750 9.874 1.00 0.00 H new ATOM 0 HA MET A 51 4.452 10.080 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.342 7.885 8.284 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.529 7.974 6.734 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.260 10.204 6.329 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.579 10.513 8.024 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.175 9.912 8.373 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.944 11.191 8.244 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.667 9.794 9.312 1.00 0.00 H new ATOM 684 N ASN A 52 2.490 7.655 8.181 1.00 0.00 N ATOM 685 CA ASN A 52 1.302 7.107 7.550 1.00 0.00 C ATOM 686 C ASN A 52 0.074 7.887 8.019 1.00 0.00 C ATOM 687 O ASN A 52 0.130 8.598 9.022 1.00 0.00 O ATOM 688 CB ASN A 52 1.104 5.638 7.931 1.00 0.00 C ATOM 689 CG ASN A 52 2.356 4.816 7.617 1.00 0.00 C ATOM 690 OD1 ASN A 52 2.718 4.851 6.338 1.00 0.00 O flip ATOM 691 ND2 ASN A 52 2.952 4.191 8.479 1.00 0.00 N flip ATOM 0 H ASN A 52 2.651 7.336 9.136 1.00 0.00 H new ATOM 0 HA ASN A 52 1.427 7.186 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.872 5.562 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.251 5.230 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.619 4.208 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.783 3.652 8.236 1.00 0.00 H new ATOM 697 N MET A 53 -1.009 7.730 7.271 1.00 0.00 N ATOM 698 CA MET A 53 -2.250 8.412 7.598 1.00 0.00 C ATOM 699 C MET A 53 -3.226 7.466 8.301 1.00 0.00 C ATOM 700 O MET A 53 -3.122 6.248 8.166 1.00 0.00 O ATOM 701 CB MET A 53 -2.891 8.948 6.317 1.00 0.00 C ATOM 702 CG MET A 53 -3.719 10.202 6.602 1.00 0.00 C ATOM 703 SD MET A 53 -2.664 11.504 7.215 1.00 0.00 S ATOM 704 CE MET A 53 -2.830 12.688 5.890 1.00 0.00 C ATOM 0 H MET A 53 -1.053 7.141 6.440 1.00 0.00 H new ATOM 0 HA MET A 53 -2.023 9.237 8.273 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.115 9.178 5.587 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.527 8.181 5.876 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.223 10.529 5.693 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.495 9.977 7.334 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.230 13.570 6.113 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.485 12.241 4.957 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.876 12.977 5.789 1.00 0.00 H new ATOM 712 N MET A 54 -4.154 8.063 9.034 1.00 0.00 N ATOM 713 CA MET A 54 -5.148 7.289 9.758 1.00 0.00 C ATOM 714 C MET A 54 -5.839 6.283 8.835 1.00 0.00 C ATOM 715 O MET A 54 -6.185 5.182 9.259 1.00 0.00 O ATOM 716 CB MET A 54 -6.193 8.232 10.358 1.00 0.00 C ATOM 717 CG MET A 54 -5.580 9.098 11.461 1.00 0.00 C ATOM 718 SD MET A 54 -5.111 8.077 12.849 1.00 0.00 S ATOM 719 CE MET A 54 -3.346 8.009 12.601 1.00 0.00 C ATOM 0 H MET A 54 -4.239 9.074 9.142 1.00 0.00 H new ATOM 0 HA MET A 54 -4.644 6.739 10.552 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.604 8.870 9.576 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.021 7.652 10.764 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.708 9.627 11.077 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.296 9.855 11.781 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.963 7.057 12.968 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.124 8.103 11.538 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.870 8.825 13.145 1.00 0.00 H new ATOM 727 N ASP A 55 -6.019 6.699 7.590 1.00 0.00 N ATOM 728 CA ASP A 55 -6.663 5.848 6.603 1.00 0.00 C ATOM 729 C ASP A 55 -6.087 4.434 6.702 1.00 0.00 C ATOM 730 O ASP A 55 -6.803 3.454 6.503 1.00 0.00 O ATOM 731 CB ASP A 55 -6.410 6.362 5.184 1.00 0.00 C ATOM 732 CG ASP A 55 -7.606 7.052 4.524 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.456 8.079 3.845 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.746 6.485 4.733 1.00 0.00 O ATOM 0 H ASP A 55 -5.730 7.613 7.242 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.735 5.851 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.575 7.062 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.103 5.523 4.559 1.00 0.00 H new ATOM 739 N GLU A 56 -4.801 4.373 7.010 1.00 0.00 N ATOM 740 CA GLU A 56 -4.120 3.095 7.138 1.00 0.00 C ATOM 741 C GLU A 56 -4.974 2.119 7.950 1.00 0.00 C ATOM 742 O GLU A 56 -4.978 0.919 7.680 1.00 0.00 O ATOM 743 CB GLU A 56 -2.738 3.270 7.769 1.00 0.00 C ATOM 744 CG GLU A 56 -2.830 3.275 9.297 1.00 0.00 C ATOM 745 CD GLU A 56 -2.195 4.539 9.880 1.00 0.00 C ATOM 746 OE1 GLU A 56 -1.018 4.821 9.615 1.00 0.00 O ATOM 747 OE2 GLU A 56 -2.973 5.241 10.633 1.00 0.00 O ATOM 0 H GLU A 56 -4.211 5.188 7.175 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.977 2.680 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.081 2.464 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.293 4.203 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.875 3.214 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.329 2.394 9.698 1.00 0.00 H new ATOM 753 N ALA A 57 -5.680 2.671 8.927 1.00 0.00 N ATOM 754 CA ALA A 57 -6.535 1.864 9.780 1.00 0.00 C ATOM 755 C ALA A 57 -7.668 1.269 8.941 1.00 0.00 C ATOM 756 O ALA A 57 -7.929 0.069 9.004 1.00 0.00 O ATOM 757 CB ALA A 57 -7.053 2.718 10.938 1.00 0.00 C ATOM 0 H ALA A 57 -5.677 3.667 9.146 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.974 1.035 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.695 2.112 11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.210 3.093 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.624 3.559 10.543 1.00 0.00 H new ATOM 763 N PHE A 58 -8.313 2.138 8.175 1.00 0.00 N ATOM 764 CA PHE A 58 -9.413 1.713 7.325 1.00 0.00 C ATOM 765 C PHE A 58 -8.938 0.704 6.278 1.00 0.00 C ATOM 766 O PHE A 58 -9.671 -0.217 5.921 1.00 0.00 O ATOM 767 CB PHE A 58 -9.934 2.963 6.612 1.00 0.00 C ATOM 768 CG PHE A 58 -11.196 3.557 7.241 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.471 3.334 8.554 1.00 0.00 C ATOM 770 CD2 PHE A 58 -12.042 4.308 6.487 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.643 3.885 9.138 1.00 0.00 C ATOM 772 CE2 PHE A 58 -13.213 4.859 7.070 1.00 0.00 C ATOM 773 CZ PHE A 58 -13.489 4.636 8.384 1.00 0.00 C ATOM 0 H PHE A 58 -8.095 3.133 8.125 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.186 1.235 7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.150 3.721 6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.141 2.715 5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.798 2.738 9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.823 4.485 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.862 3.707 10.181 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.885 5.455 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.380 5.056 8.828 1.00 0.00 H new ATOM 782 N LYS A 59 -7.715 0.911 5.815 1.00 0.00 N ATOM 783 CA LYS A 59 -7.133 0.030 4.816 1.00 0.00 C ATOM 784 C LYS A 59 -7.404 -1.425 5.205 1.00 0.00 C ATOM 785 O LYS A 59 -7.752 -2.243 4.356 1.00 0.00 O ATOM 786 CB LYS A 59 -5.650 0.348 4.619 1.00 0.00 C ATOM 787 CG LYS A 59 -4.878 -0.893 4.166 1.00 0.00 C ATOM 788 CD LYS A 59 -5.302 -1.320 2.759 1.00 0.00 C ATOM 789 CE LYS A 59 -4.730 -0.372 1.704 1.00 0.00 C ATOM 790 NZ LYS A 59 -5.813 0.177 0.858 1.00 0.00 N ATOM 0 H LYS A 59 -7.110 1.676 6.113 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.601 0.193 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.540 1.140 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.228 0.723 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.808 -0.685 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.053 -1.710 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.959 -2.336 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.390 -1.332 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.193 0.442 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.009 -0.903 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.448 0.358 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.595 -0.507 0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.158 1.067 1.271 1.00 0.00 H new ATOM 799 N HIS A 60 -7.233 -1.701 6.489 1.00 0.00 N ATOM 800 CA HIS A 60 -7.455 -3.043 7.002 1.00 0.00 C ATOM 801 C HIS A 60 -8.932 -3.413 6.850 1.00 0.00 C ATOM 802 O HIS A 60 -9.261 -4.435 6.251 1.00 0.00 O ATOM 803 CB HIS A 60 -6.959 -3.163 8.444 1.00 0.00 C ATOM 804 CG HIS A 60 -5.484 -2.882 8.612 1.00 0.00 C ATOM 805 ND1 HIS A 60 -4.609 -2.203 7.815 1.00 0.00 N flip ATOM 806 CD2 HIS A 60 -4.757 -3.320 9.704 1.00 0.00 C flip ATOM 807 CE1 HIS A 60 -3.414 -2.225 8.390 1.00 0.00 C flip ATOM 808 NE2 HIS A 60 -3.503 -2.919 9.561 1.00 0.00 N flip ATOM 0 H HIS A 60 -6.943 -1.019 7.190 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.875 -3.759 6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.524 -2.472 9.070 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.171 -4.169 8.808 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.146 -3.892 10.533 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.518 -1.769 7.996 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.738 -3.098 10.212 1.00 0.00 H new ATOM 815 N THR A 61 -9.781 -2.561 7.403 1.00 0.00 N ATOM 816 CA THR A 61 -11.216 -2.785 7.336 1.00 0.00 C ATOM 817 C THR A 61 -11.677 -2.860 5.880 1.00 0.00 C ATOM 818 O THR A 61 -12.587 -3.619 5.552 1.00 0.00 O ATOM 819 CB THR A 61 -11.904 -1.677 8.136 1.00 0.00 C ATOM 820 OG1 THR A 61 -13.054 -2.312 8.689 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.481 -0.580 7.238 1.00 0.00 C ATOM 0 H THR A 61 -9.504 -1.714 7.900 1.00 0.00 H new ATOM 0 HA THR A 61 -11.488 -3.743 7.779 1.00 0.00 H new ATOM 0 HB THR A 61 -11.192 -1.238 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.558 -1.665 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.958 0.182 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.678 -0.126 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.218 -1.013 6.562 1.00 0.00 H new ATOM 829 N ALA A 62 -11.027 -2.064 5.045 1.00 0.00 N ATOM 830 CA ALA A 62 -11.359 -2.030 3.630 1.00 0.00 C ATOM 831 C ALA A 62 -11.205 -3.434 3.042 1.00 0.00 C ATOM 832 O ALA A 62 -12.136 -3.964 2.440 1.00 0.00 O ATOM 833 CB ALA A 62 -10.476 -1.000 2.922 1.00 0.00 C ATOM 0 H ALA A 62 -10.271 -1.437 5.321 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.395 -1.724 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.725 -0.975 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.645 -0.015 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.428 -1.275 3.042 1.00 0.00 H new ATOM 839 N ARG A 63 -10.020 -3.995 3.236 1.00 0.00 N ATOM 840 CA ARG A 63 -9.731 -5.327 2.732 1.00 0.00 C ATOM 841 C ARG A 63 -10.115 -6.383 3.770 1.00 0.00 C ATOM 842 O ARG A 63 -9.782 -7.557 3.619 1.00 0.00 O ATOM 843 CB ARG A 63 -8.248 -5.476 2.387 1.00 0.00 C ATOM 844 CG ARG A 63 -7.378 -5.337 3.638 1.00 0.00 C ATOM 845 CD ARG A 63 -6.942 -6.709 4.157 1.00 0.00 C ATOM 846 NE ARG A 63 -6.277 -7.471 3.076 1.00 0.00 N ATOM 847 CZ ARG A 63 -5.007 -7.259 2.670 1.00 0.00 C ATOM 848 NH1 ARG A 63 -4.252 -6.305 3.253 1.00 0.00 N ATOM 849 NH2 ARG A 63 -4.516 -8.000 1.695 1.00 0.00 N ATOM 0 H ARG A 63 -9.249 -3.551 3.735 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.319 -5.473 1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.074 -6.448 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.963 -4.720 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.499 -4.735 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.932 -4.810 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.262 -6.589 5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.808 -7.261 4.523 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.812 -8.203 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.640 -5.737 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.293 -6.151 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.094 -8.719 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.558 -7.853 1.376 1.00 0.00 H new ATOM 859 N HIS A 64 -10.808 -5.926 4.803 1.00 0.00 N ATOM 860 CA HIS A 64 -11.241 -6.817 5.866 1.00 0.00 C ATOM 861 C HIS A 64 -12.419 -7.663 5.380 1.00 0.00 C ATOM 862 O HIS A 64 -12.345 -8.891 5.374 1.00 0.00 O ATOM 863 CB HIS A 64 -11.563 -6.028 7.138 1.00 0.00 C ATOM 864 CG HIS A 64 -12.103 -6.875 8.266 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.763 -8.206 8.432 1.00 0.00 N ATOM 866 CD2 HIS A 64 -12.962 -6.566 9.280 1.00 0.00 C ATOM 867 CE1 HIS A 64 -12.396 -8.667 9.501 1.00 0.00 C ATOM 868 NE2 HIS A 64 -13.138 -7.650 10.025 1.00 0.00 N ATOM 0 H HIS A 64 -11.080 -4.951 4.926 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.432 -7.499 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.659 -5.522 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.291 -5.253 6.898 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.421 -5.603 9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.335 -9.673 9.890 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.731 -7.712 10.853 1.00 0.00 H new ATOM 875 N ASN A 65 -13.478 -6.974 4.984 1.00 0.00 N ATOM 876 CA ASN A 65 -14.671 -7.646 4.497 1.00 0.00 C ATOM 877 C ASN A 65 -14.879 -7.302 3.021 1.00 0.00 C ATOM 878 O ASN A 65 -14.968 -8.194 2.178 1.00 0.00 O ATOM 879 CB ASN A 65 -15.913 -7.194 5.267 1.00 0.00 C ATOM 880 CG ASN A 65 -17.191 -7.641 4.557 1.00 0.00 C ATOM 881 OD1 ASN A 65 -17.981 -6.842 4.083 1.00 0.00 O ATOM 882 ND2 ASN A 65 -17.351 -8.961 4.510 1.00 0.00 N ATOM 0 H ASN A 65 -13.535 -5.956 4.990 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.532 -8.718 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.890 -7.606 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.909 -6.109 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.174 -9.359 4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.651 -9.575 4.927 1.00 0.00 H new ATOM 888 N VAL A 66 -14.950 -6.007 2.753 1.00 0.00 N ATOM 889 CA VAL A 66 -15.145 -5.534 1.393 1.00 0.00 C ATOM 890 C VAL A 66 -13.786 -5.212 0.769 1.00 0.00 C ATOM 891 O VAL A 66 -12.770 -5.788 1.154 1.00 0.00 O ATOM 892 CB VAL A 66 -16.103 -4.340 1.387 1.00 0.00 C ATOM 893 CG1 VAL A 66 -17.388 -4.665 2.151 1.00 0.00 C ATOM 894 CG2 VAL A 66 -15.427 -3.092 1.957 1.00 0.00 C ATOM 0 H VAL A 66 -14.876 -5.270 3.454 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.608 -6.309 0.782 1.00 0.00 H new ATOM 0 HB VAL A 66 -16.372 -4.131 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -18.051 -3.800 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.885 -5.514 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -17.144 -4.912 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.129 -2.259 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.115 -3.284 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.555 -2.843 1.353 1.00 0.00 H new ATOM 904 N ASP A 67 -13.811 -4.292 -0.184 1.00 0.00 N ATOM 905 CA ASP A 67 -12.592 -3.886 -0.865 1.00 0.00 C ATOM 906 C ASP A 67 -12.607 -2.370 -1.069 1.00 0.00 C ATOM 907 O ASP A 67 -13.602 -1.811 -1.529 1.00 0.00 O ATOM 908 CB ASP A 67 -12.484 -4.548 -2.241 1.00 0.00 C ATOM 909 CG ASP A 67 -11.650 -5.828 -2.280 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.294 -6.391 -1.234 1.00 0.00 O ATOM 911 OD2 ASP A 67 -11.359 -6.254 -3.463 1.00 0.00 O ATOM 0 H ASP A 67 -14.656 -3.816 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.745 -4.190 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.489 -4.776 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.053 -3.831 -2.940 1.00 0.00 H new ATOM 916 N GLU A 68 -11.493 -1.747 -0.716 1.00 0.00 N ATOM 917 CA GLU A 68 -11.365 -0.306 -0.854 1.00 0.00 C ATOM 918 C GLU A 68 -9.931 0.065 -1.234 1.00 0.00 C ATOM 919 O GLU A 68 -8.977 -0.519 -0.722 1.00 0.00 O ATOM 920 CB GLU A 68 -11.794 0.407 0.429 1.00 0.00 C ATOM 921 CG GLU A 68 -12.728 1.581 0.118 1.00 0.00 C ATOM 922 CD GLU A 68 -14.064 1.085 -0.439 1.00 0.00 C ATOM 923 OE1 GLU A 68 -14.857 0.480 0.297 1.00 0.00 O ATOM 924 OE2 GLU A 68 -14.266 1.350 -1.685 1.00 0.00 O ATOM 0 H GLU A 68 -10.670 -2.214 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.029 0.024 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.298 -0.298 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.914 0.769 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.901 2.163 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.254 2.247 -0.603 1.00 0.00 H new ATOM 930 N LEU A 69 -9.823 1.036 -2.129 1.00 0.00 N ATOM 931 CA LEU A 69 -8.520 1.493 -2.585 1.00 0.00 C ATOM 932 C LEU A 69 -8.499 3.023 -2.604 1.00 0.00 C ATOM 933 O LEU A 69 -9.415 3.653 -3.131 1.00 0.00 O ATOM 934 CB LEU A 69 -8.169 0.856 -3.930 1.00 0.00 C ATOM 935 CG LEU A 69 -6.916 1.398 -4.623 1.00 0.00 C ATOM 936 CD1 LEU A 69 -7.087 2.873 -4.988 1.00 0.00 C ATOM 937 CD2 LEU A 69 -5.671 1.158 -3.767 1.00 0.00 C ATOM 0 H LEU A 69 -10.616 1.519 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.740 1.172 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.042 -0.216 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.017 0.985 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.776 0.851 -5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.183 3.234 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.936 2.985 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.264 3.454 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.794 1.552 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.786 1.663 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.544 0.088 -3.601 1.00 0.00 H new ATOM 948 N HIS A 70 -7.445 3.576 -2.023 1.00 0.00 N ATOM 949 CA HIS A 70 -7.292 5.020 -1.967 1.00 0.00 C ATOM 950 C HIS A 70 -5.813 5.385 -2.098 1.00 0.00 C ATOM 951 O HIS A 70 -4.951 4.714 -1.533 1.00 0.00 O ATOM 952 CB HIS A 70 -7.932 5.584 -0.698 1.00 0.00 C ATOM 953 CG HIS A 70 -8.343 4.532 0.304 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.658 4.331 0.685 1.00 0.00 N ATOM 955 CD2 HIS A 70 -7.598 3.624 0.998 1.00 0.00 C ATOM 956 CE1 HIS A 70 -9.691 3.345 1.569 1.00 0.00 C ATOM 957 NE2 HIS A 70 -8.415 2.909 1.763 1.00 0.00 N ATOM 0 H HIS A 70 -6.688 3.050 -1.587 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.818 5.478 -2.804 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.229 6.268 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.809 6.169 -0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.526 3.507 0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.575 2.955 2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.133 2.157 2.392 1.00 0.00 H new ATOM 964 N ILE A 71 -5.563 6.449 -2.848 1.00 0.00 N ATOM 965 CA ILE A 71 -4.202 6.912 -3.061 1.00 0.00 C ATOM 966 C ILE A 71 -4.154 8.432 -2.894 1.00 0.00 C ATOM 967 O ILE A 71 -4.959 9.151 -3.483 1.00 0.00 O ATOM 968 CB ILE A 71 -3.676 6.424 -4.412 1.00 0.00 C ATOM 969 CG1 ILE A 71 -2.351 7.106 -4.762 1.00 0.00 C ATOM 970 CG2 ILE A 71 -4.725 6.612 -5.509 1.00 0.00 C ATOM 971 CD1 ILE A 71 -1.898 6.729 -6.173 1.00 0.00 C ATOM 0 H ILE A 71 -6.280 7.004 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.533 6.488 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.478 5.355 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.464 8.188 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.587 6.816 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.326 6.257 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.621 6.044 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.977 7.669 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.954 7.226 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.763 5.649 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.654 7.042 -6.894 1.00 0.00 H new ATOM 982 N ASP A 72 -3.201 8.877 -2.088 1.00 0.00 N ATOM 983 CA ASP A 72 -3.037 10.298 -1.836 1.00 0.00 C ATOM 984 C ASP A 72 -1.548 10.614 -1.677 1.00 0.00 C ATOM 985 O ASP A 72 -0.809 9.849 -1.058 1.00 0.00 O ATOM 986 CB ASP A 72 -3.749 10.715 -0.548 1.00 0.00 C ATOM 987 CG ASP A 72 -4.563 12.007 -0.648 1.00 0.00 C ATOM 988 OD1 ASP A 72 -4.030 13.072 -0.995 1.00 0.00 O ATOM 989 OD2 ASP A 72 -5.812 11.889 -0.350 1.00 0.00 O ATOM 0 H ASP A 72 -2.534 8.278 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.467 10.842 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.413 9.908 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.004 10.833 0.239 1.00 0.00 H new ATOM 994 N GLY A 73 -1.152 11.744 -2.246 1.00 0.00 N ATOM 995 CA GLY A 73 0.235 12.171 -2.175 1.00 0.00 C ATOM 996 C GLY A 73 0.334 13.657 -1.829 1.00 0.00 C ATOM 997 O GLY A 73 -0.323 14.489 -2.452 1.00 0.00 O ATOM 0 H GLY A 73 -1.767 12.376 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.762 11.583 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.726 11.983 -3.130 1.00 0.00 H new ATOM 1001 N ASN A 74 1.162 13.948 -0.835 1.00 0.00 N ATOM 1002 CA ASN A 74 1.355 15.320 -0.398 1.00 0.00 C ATOM 1003 C ASN A 74 2.810 15.514 0.030 1.00 0.00 C ATOM 1004 O ASN A 74 3.369 14.679 0.739 1.00 0.00 O ATOM 1005 CB ASN A 74 0.461 15.648 0.800 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.003 15.772 0.374 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.639 14.818 -0.040 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.500 17.000 0.498 1.00 0.00 N ATOM 0 H ASN A 74 1.707 13.256 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 74 1.099 15.978 -1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.559 14.868 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.790 16.580 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.469 17.187 0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.912 17.755 0.852 1.00 0.00 H new ATOM 1014 N TYR A 75 3.384 16.621 -0.418 1.00 0.00 N ATOM 1015 CA TYR A 75 4.764 16.936 -0.090 1.00 0.00 C ATOM 1016 C TYR A 75 4.941 17.116 1.419 1.00 0.00 C ATOM 1017 O TYR A 75 6.066 17.180 1.912 1.00 0.00 O ATOM 1018 CB TYR A 75 5.073 18.260 -0.791 1.00 0.00 C ATOM 1019 CG TYR A 75 6.561 18.610 -0.831 1.00 0.00 C ATOM 1020 CD1 TYR A 75 7.498 17.619 -1.044 1.00 0.00 C ATOM 1021 CD2 TYR A 75 6.968 19.917 -0.655 1.00 0.00 C ATOM 1022 CE1 TYR A 75 8.899 17.948 -1.084 1.00 0.00 C ATOM 1023 CE2 TYR A 75 8.370 20.247 -0.694 1.00 0.00 C ATOM 1024 CZ TYR A 75 9.266 19.246 -0.907 1.00 0.00 C ATOM 1025 OH TYR A 75 10.589 19.556 -0.943 1.00 0.00 O ATOM 0 H TYR A 75 2.918 17.312 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 75 5.427 16.132 -0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.693 18.216 -1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.535 19.062 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.180 16.596 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.235 20.693 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.642 17.182 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.702 21.266 -0.557 1.00 0.00 H new ATOM 0 HH TYR A 75 10.703 20.519 -0.803 1.00 0.00 H new ATOM 1034 N GLN A 76 3.813 17.194 2.110 1.00 0.00 N ATOM 1035 CA GLN A 76 3.829 17.366 3.552 1.00 0.00 C ATOM 1036 C GLN A 76 3.566 16.029 4.250 1.00 0.00 C ATOM 1037 O GLN A 76 3.662 15.933 5.472 1.00 0.00 O ATOM 1038 CB GLN A 76 2.814 18.422 3.990 1.00 0.00 C ATOM 1039 CG GLN A 76 2.996 18.780 5.467 1.00 0.00 C ATOM 1040 CD GLN A 76 1.663 18.716 6.215 1.00 0.00 C ATOM 1041 OE1 GLN A 76 1.264 17.688 6.739 1.00 0.00 O ATOM 1042 NE2 GLN A 76 0.998 19.868 6.236 1.00 0.00 N ATOM 0 H GLN A 76 2.882 17.141 1.697 1.00 0.00 H new ATOM 0 HA GLN A 76 4.818 17.718 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.929 19.317 3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.803 18.050 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.708 18.094 5.926 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.418 19.782 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.389 20.691 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.097 19.928 6.711 1.00 0.00 H new ATOM 1049 N LEU A 77 3.238 15.032 3.442 1.00 0.00 N ATOM 1050 CA LEU A 77 2.960 13.705 3.966 1.00 0.00 C ATOM 1051 C LEU A 77 4.077 13.298 4.929 1.00 0.00 C ATOM 1052 O LEU A 77 3.836 13.113 6.121 1.00 0.00 O ATOM 1053 CB LEU A 77 2.741 12.712 2.822 1.00 0.00 C ATOM 1054 CG LEU A 77 2.201 11.338 3.221 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.149 10.850 2.223 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.340 10.331 3.393 1.00 0.00 C ATOM 0 H LEU A 77 3.158 15.116 2.429 1.00 0.00 H new ATOM 0 HA LEU A 77 2.031 13.707 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.050 13.158 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.689 12.571 2.303 1.00 0.00 H new ATOM 0 HG LEU A 77 1.706 11.433 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.782 9.871 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.319 11.556 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.595 10.775 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.929 9.362 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.884 10.233 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.019 10.679 4.171 1.00 0.00 H new ATOM 1067 N GLY A 78 5.273 13.169 4.375 1.00 0.00 N ATOM 1068 CA GLY A 78 6.428 12.786 5.170 1.00 0.00 C ATOM 1069 C GLY A 78 7.413 11.957 4.344 1.00 0.00 C ATOM 1070 O GLY A 78 8.018 11.015 4.854 1.00 0.00 O ATOM 0 H GLY A 78 5.468 13.323 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.926 13.679 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.102 12.212 6.037 1.00 0.00 H new ATOM 1074 N ARG A 79 7.541 12.334 3.081 1.00 0.00 N ATOM 1075 CA ARG A 79 8.441 11.638 2.178 1.00 0.00 C ATOM 1076 C ARG A 79 8.228 10.126 2.280 1.00 0.00 C ATOM 1077 O ARG A 79 9.178 9.375 2.493 1.00 0.00 O ATOM 1078 CB ARG A 79 9.902 11.962 2.498 1.00 0.00 C ATOM 1079 CG ARG A 79 10.094 13.463 2.720 1.00 0.00 C ATOM 1080 CD ARG A 79 10.996 14.066 1.641 1.00 0.00 C ATOM 1081 NE ARG A 79 11.842 15.131 2.225 1.00 0.00 N ATOM 1082 CZ ARG A 79 11.363 16.293 2.717 1.00 0.00 C ATOM 1083 NH1 ARG A 79 10.038 16.551 2.699 1.00 0.00 N ATOM 1084 NH2 ARG A 79 12.210 17.174 3.215 1.00 0.00 N ATOM 0 H ARG A 79 7.035 13.114 2.661 1.00 0.00 H new ATOM 0 HA ARG A 79 8.220 11.973 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.213 11.416 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.540 11.627 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.125 13.963 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.532 13.636 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.624 13.289 1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.388 14.475 0.834 1.00 0.00 H new ATOM 0 HE ARG A 79 12.850 14.977 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.390 15.865 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.685 17.432 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.210 16.972 3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.865 18.057 3.591 1.00 0.00 H new ATOM 1094 N ASN A 80 6.975 9.725 2.121 1.00 0.00 N ATOM 1095 CA ASN A 80 6.625 8.317 2.192 1.00 0.00 C ATOM 1096 C ASN A 80 6.105 7.856 0.828 1.00 0.00 C ATOM 1097 O ASN A 80 5.080 8.342 0.354 1.00 0.00 O ATOM 1098 CB ASN A 80 5.522 8.075 3.224 1.00 0.00 C ATOM 1099 CG ASN A 80 5.945 7.008 4.237 1.00 0.00 C ATOM 1100 OD1 ASN A 80 5.364 5.939 4.330 1.00 0.00 O ATOM 1101 ND2 ASN A 80 6.984 7.358 4.989 1.00 0.00 N ATOM 0 H ASN A 80 6.190 10.351 1.943 1.00 0.00 H new ATOM 0 HA ASN A 80 7.517 7.762 2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.295 9.006 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.609 7.761 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.341 6.716 5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.424 8.269 4.859 1.00 0.00 H new ATOM 1107 N VAL A 81 6.837 6.922 0.238 1.00 0.00 N ATOM 1108 CA VAL A 81 6.463 6.390 -1.061 1.00 0.00 C ATOM 1109 C VAL A 81 6.273 4.876 -0.952 1.00 0.00 C ATOM 1110 O VAL A 81 7.239 4.138 -0.765 1.00 0.00 O ATOM 1111 CB VAL A 81 7.504 6.787 -2.110 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.924 6.558 -1.587 1.00 0.00 C ATOM 1113 CG2 VAL A 81 7.275 6.036 -3.423 1.00 0.00 C ATOM 0 H VAL A 81 7.686 6.521 0.635 1.00 0.00 H new ATOM 0 HA VAL A 81 5.514 6.815 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 81 7.388 7.852 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.645 6.848 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.083 7.159 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.057 5.504 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.029 6.337 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.350 4.963 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.283 6.272 -3.809 1.00 0.00 H new ATOM 1123 N LEU A 82 5.021 4.458 -1.075 1.00 0.00 N ATOM 1124 CA LEU A 82 4.693 3.045 -0.991 1.00 0.00 C ATOM 1125 C LEU A 82 3.970 2.619 -2.271 1.00 0.00 C ATOM 1126 O LEU A 82 2.907 3.147 -2.594 1.00 0.00 O ATOM 1127 CB LEU A 82 3.904 2.754 0.287 1.00 0.00 C ATOM 1128 CG LEU A 82 4.677 2.895 1.600 1.00 0.00 C ATOM 1129 CD1 LEU A 82 6.052 2.233 1.500 1.00 0.00 C ATOM 1130 CD2 LEU A 82 4.777 4.362 2.021 1.00 0.00 C ATOM 0 H LEU A 82 4.222 5.073 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 82 5.600 2.445 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.045 3.424 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.513 1.738 0.226 1.00 0.00 H new ATOM 0 HG LEU A 82 4.124 2.372 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.581 2.348 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.930 1.173 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.627 2.706 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.331 4.435 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.296 4.928 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.776 4.770 2.159 1.00 0.00 H new ATOM 1141 N LEU A 83 4.576 1.666 -2.964 1.00 0.00 N ATOM 1142 CA LEU A 83 4.003 1.161 -4.201 1.00 0.00 C ATOM 1143 C LEU A 83 3.619 -0.309 -4.019 1.00 0.00 C ATOM 1144 O LEU A 83 4.489 -1.171 -3.910 1.00 0.00 O ATOM 1145 CB LEU A 83 4.956 1.408 -5.372 1.00 0.00 C ATOM 1146 CG LEU A 83 4.307 1.843 -6.686 1.00 0.00 C ATOM 1147 CD1 LEU A 83 4.514 3.340 -6.932 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.811 0.996 -7.855 1.00 0.00 C ATOM 0 H LEU A 83 5.457 1.230 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 83 3.088 1.701 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.674 2.172 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.520 0.493 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 83 3.233 1.675 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.042 3.623 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.066 3.908 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.581 3.556 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.333 1.327 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.891 1.108 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.568 -0.052 -7.676 1.00 0.00 H new ATOM 1159 N LYS A 84 2.316 -0.547 -3.991 1.00 0.00 N ATOM 1160 CA LYS A 84 1.807 -1.897 -3.824 1.00 0.00 C ATOM 1161 C LYS A 84 0.857 -2.227 -4.978 1.00 0.00 C ATOM 1162 O LYS A 84 -0.156 -1.554 -5.163 1.00 0.00 O ATOM 1163 CB LYS A 84 1.175 -2.065 -2.441 1.00 0.00 C ATOM 1164 CG LYS A 84 1.647 -3.360 -1.776 1.00 0.00 C ATOM 1165 CD LYS A 84 0.671 -3.802 -0.684 1.00 0.00 C ATOM 1166 CE LYS A 84 0.825 -5.293 -0.380 1.00 0.00 C ATOM 1167 NZ LYS A 84 0.347 -5.598 0.987 1.00 0.00 N ATOM 0 H LYS A 84 1.598 0.172 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 84 2.623 -2.618 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.435 -1.213 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.089 -2.074 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.739 -4.146 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.637 -3.212 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.847 -3.223 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.351 -3.596 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.262 -5.878 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.871 -5.584 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.149 -5.571 1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.362 -4.892 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.082 -6.545 1.001 1.00 0.00 H new ATOM 1176 N ASN A 85 1.218 -3.261 -5.723 1.00 0.00 N ATOM 1177 CA ASN A 85 0.409 -3.687 -6.852 1.00 0.00 C ATOM 1178 C ASN A 85 -0.139 -5.089 -6.581 1.00 0.00 C ATOM 1179 O ASN A 85 0.625 -6.040 -6.426 1.00 0.00 O ATOM 1180 CB ASN A 85 1.243 -3.745 -8.134 1.00 0.00 C ATOM 1181 CG ASN A 85 0.427 -4.323 -9.293 1.00 0.00 C ATOM 1182 OD1 ASN A 85 -0.668 -4.832 -9.122 1.00 0.00 O ATOM 1183 ND2 ASN A 85 1.022 -4.218 -10.478 1.00 0.00 N ATOM 0 H ASN A 85 2.059 -3.816 -5.567 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.400 -2.968 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.590 -2.744 -8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.130 -4.357 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.560 -4.575 -11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.940 -3.780 -10.551 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.461 -5.173 -6.534 1.00 0.00 N ATOM 1190 CA GLY A 86 -2.121 -6.444 -6.285 1.00 0.00 C ATOM 1191 C GLY A 86 -3.011 -6.839 -7.464 1.00 0.00 C ATOM 1192 O GLY A 86 -3.959 -6.130 -7.798 1.00 0.00 O ATOM 0 H GLY A 86 -2.092 -4.382 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.374 -7.219 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.722 -6.374 -5.378 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.674 -7.972 -8.065 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.431 -8.472 -9.200 1.00 0.00 C ATOM 1198 C GLU A 87 -3.908 -9.900 -8.933 1.00 0.00 C ATOM 1199 O GLU A 87 -3.097 -10.800 -8.721 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.603 -8.400 -10.485 1.00 0.00 C ATOM 1201 CG GLU A 87 -1.738 -9.652 -10.650 1.00 0.00 C ATOM 1202 CD GLU A 87 -0.827 -9.853 -9.437 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -0.828 -10.936 -8.833 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -0.099 -8.834 -9.128 1.00 0.00 O ATOM 0 H GLU A 87 -1.887 -8.558 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.307 -7.838 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.266 -8.296 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.968 -7.515 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.377 -10.526 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.133 -9.564 -11.553 1.00 0.00 H new ATOM 1210 N ASP A 88 -5.222 -10.064 -8.953 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.818 -11.369 -8.716 1.00 0.00 C ATOM 1212 C ASP A 88 -7.029 -11.545 -9.633 1.00 0.00 C ATOM 1213 O ASP A 88 -7.686 -10.571 -9.996 1.00 0.00 O ATOM 1214 CB ASP A 88 -6.295 -11.500 -7.269 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.982 -10.258 -6.698 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -6.374 -9.182 -6.598 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -8.210 -10.427 -6.343 1.00 0.00 O ATOM 0 H ASP A 88 -5.892 -9.315 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.062 -12.128 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.986 -12.340 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.438 -11.744 -6.641 1.00 0.00 H new ATOM 1222 N ARG A 89 -7.289 -12.798 -9.981 1.00 0.00 N ATOM 1223 CA ARG A 89 -8.412 -13.114 -10.849 1.00 0.00 C ATOM 1224 C ARG A 89 -9.187 -14.312 -10.296 1.00 0.00 C ATOM 1225 O ARG A 89 -8.592 -15.316 -9.908 1.00 0.00 O ATOM 1226 CB ARG A 89 -7.937 -13.433 -12.268 1.00 0.00 C ATOM 1227 CG ARG A 89 -6.452 -13.798 -12.281 1.00 0.00 C ATOM 1228 CD ARG A 89 -6.229 -15.207 -11.728 1.00 0.00 C ATOM 1229 NE ARG A 89 -6.947 -16.197 -12.559 1.00 0.00 N ATOM 1230 CZ ARG A 89 -7.376 -17.396 -12.110 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -7.161 -17.763 -10.829 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -8.007 -18.203 -12.942 1.00 0.00 N ATOM 0 H ARG A 89 -6.743 -13.604 -9.678 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.063 -12.240 -10.884 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.521 -14.259 -12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.109 -12.573 -12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.068 -13.738 -13.299 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.891 -13.077 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.164 -15.436 -11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.580 -15.262 -10.698 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.130 -15.959 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.672 -17.133 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.488 -18.670 -10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.164 -17.918 -13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.337 -19.112 -12.619 1.00 0.00 H new ATOM 1242 N LEU A 90 -10.504 -14.168 -10.279 1.00 0.00 N ATOM 1243 CA LEU A 90 -11.367 -15.224 -9.781 1.00 0.00 C ATOM 1244 C LEU A 90 -12.705 -15.176 -10.522 1.00 0.00 C ATOM 1245 O LEU A 90 -13.081 -14.139 -11.066 1.00 0.00 O ATOM 1246 CB LEU A 90 -11.503 -15.134 -8.260 1.00 0.00 C ATOM 1247 CG LEU A 90 -11.060 -13.814 -7.625 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -11.971 -13.436 -6.454 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -9.589 -13.871 -7.211 1.00 0.00 C ATOM 0 H LEU A 90 -10.994 -13.334 -10.603 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.926 -16.201 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.546 -15.309 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.922 -15.942 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.153 -13.027 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.634 -12.494 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.995 -13.326 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.933 -14.218 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.300 -12.920 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.446 -14.672 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.971 -14.061 -8.089 1.00 0.00 H new ATOM 1260 N ARG A 91 -13.387 -16.312 -10.520 1.00 0.00 N ATOM 1261 CA ARG A 91 -14.675 -16.413 -11.185 1.00 0.00 C ATOM 1262 C ARG A 91 -15.688 -15.475 -10.525 1.00 0.00 C ATOM 1263 O ARG A 91 -16.563 -14.930 -11.196 1.00 0.00 O ATOM 1264 CB ARG A 91 -15.210 -17.845 -11.136 1.00 0.00 C ATOM 1265 CG ARG A 91 -14.735 -18.649 -12.348 1.00 0.00 C ATOM 1266 CD ARG A 91 -15.915 -19.052 -13.235 1.00 0.00 C ATOM 1267 NE ARG A 91 -16.478 -17.858 -13.904 1.00 0.00 N ATOM 1268 CZ ARG A 91 -17.107 -17.885 -15.098 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -17.260 -19.049 -15.765 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -17.570 -16.758 -15.603 1.00 0.00 N ATOM 0 H ARG A 91 -13.072 -17.170 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.533 -16.126 -12.227 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.876 -18.331 -10.219 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.300 -17.829 -11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.026 -18.057 -12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.206 -19.541 -12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -15.589 -19.777 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -16.683 -19.538 -12.633 1.00 0.00 H new ATOM 0 HE ARG A 91 -16.385 -16.958 -13.433 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -16.899 -19.916 -15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -17.736 -19.061 -16.667 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.450 -15.883 -15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.048 -16.761 -16.504 1.00 0.00 H new ATOM 1280 N PHE A 92 -15.536 -15.315 -9.219 1.00 0.00 N ATOM 1281 CA PHE A 92 -16.426 -14.453 -8.461 1.00 0.00 C ATOM 1282 C PHE A 92 -16.407 -13.026 -9.012 1.00 0.00 C ATOM 1283 O PHE A 92 -17.397 -12.303 -8.906 1.00 0.00 O ATOM 1284 CB PHE A 92 -15.913 -14.436 -7.019 1.00 0.00 C ATOM 1285 CG PHE A 92 -16.782 -13.623 -6.059 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -18.129 -13.810 -6.036 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -16.209 -12.712 -5.228 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -18.936 -13.055 -5.145 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -17.016 -11.956 -4.336 1.00 0.00 C ATOM 1290 CZ PHE A 92 -18.362 -12.144 -4.313 1.00 0.00 C ATOM 0 H PHE A 92 -14.809 -15.768 -8.666 1.00 0.00 H new ATOM 0 HA PHE A 92 -17.448 -14.826 -8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.849 -15.461 -6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -14.901 -14.030 -7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -18.585 -14.533 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.139 -12.563 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -20.006 -13.204 -5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.560 -11.232 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 92 -18.976 -11.570 -3.634 1.00 0.00 H new ATOM 1299 N TYR A 93 -15.271 -12.663 -9.589 1.00 0.00 N ATOM 1300 CA TYR A 93 -15.110 -11.335 -10.158 1.00 0.00 C ATOM 1301 C TYR A 93 -15.598 -11.296 -11.607 1.00 0.00 C ATOM 1302 O TYR A 93 -15.345 -12.222 -12.376 1.00 0.00 O ATOM 1303 CB TYR A 93 -13.609 -11.043 -10.130 1.00 0.00 C ATOM 1304 CG TYR A 93 -13.168 -10.163 -8.958 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -13.464 -10.537 -7.663 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -12.474 -8.994 -9.197 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -13.049 -9.708 -6.562 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -12.060 -8.165 -8.095 1.00 0.00 C ATOM 1309 CZ TYR A 93 -12.368 -8.563 -6.831 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.975 -7.780 -5.791 1.00 0.00 O ATOM 0 H TYR A 93 -14.452 -13.266 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.689 -10.604 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.066 -11.987 -10.086 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.327 -10.556 -11.063 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.007 -11.452 -7.476 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.242 -8.701 -10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.274 -9.990 -5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.517 -7.248 -8.268 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.498 -6.996 -6.134 1.00 0.00 H new ATOM 1319 N VAL A 94 -16.289 -10.215 -11.936 1.00 0.00 N ATOM 1320 CA VAL A 94 -16.815 -10.043 -13.280 1.00 0.00 C ATOM 1321 C VAL A 94 -15.834 -9.208 -14.104 1.00 0.00 C ATOM 1322 O VAL A 94 -15.974 -9.099 -15.321 1.00 0.00 O ATOM 1323 CB VAL A 94 -18.217 -9.433 -13.219 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -18.152 -7.906 -13.285 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -19.107 -9.993 -14.330 1.00 0.00 C ATOM 0 H VAL A 94 -16.497 -9.449 -11.295 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.917 -11.008 -13.777 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.662 -9.709 -12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -19.161 -7.497 -13.240 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.570 -7.530 -12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -17.679 -7.602 -14.219 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.098 -9.543 -14.264 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.667 -9.761 -15.300 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.191 -11.074 -14.219 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.862 -8.637 -13.407 1.00 0.00 N ATOM 1336 CA LYS A 95 -13.857 -7.814 -14.060 1.00 0.00 C ATOM 1337 C LYS A 95 -12.632 -8.672 -14.382 1.00 0.00 C ATOM 1338 O LYS A 95 -12.283 -8.850 -15.547 1.00 0.00 O ATOM 1339 CB LYS A 95 -13.540 -6.582 -13.209 1.00 0.00 C ATOM 1340 CG LYS A 95 -14.731 -5.622 -13.169 1.00 0.00 C ATOM 1341 CD LYS A 95 -14.636 -4.682 -11.965 1.00 0.00 C ATOM 1342 CE LYS A 95 -15.986 -4.565 -11.254 1.00 0.00 C ATOM 1343 NZ LYS A 95 -15.829 -4.798 -9.802 1.00 0.00 N ATOM 0 H LYS A 95 -14.749 -8.728 -12.397 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.235 -7.430 -15.008 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.284 -6.892 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -12.668 -6.069 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -14.764 -5.038 -14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.660 -6.190 -13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.885 -5.053 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.307 -3.696 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.409 -3.575 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.687 -5.288 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.755 -4.715 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.445 -5.751 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.177 -4.092 -9.406 1.00 0.00 H new ATOM 1352 N PHE A 96 -12.012 -9.181 -13.327 1.00 0.00 N ATOM 1353 CA PHE A 96 -10.833 -10.015 -13.483 1.00 0.00 C ATOM 1354 C PHE A 96 -9.999 -9.567 -14.684 1.00 0.00 C ATOM 1355 O PHE A 96 -9.747 -10.351 -15.597 1.00 0.00 O ATOM 1356 CB PHE A 96 -11.325 -11.444 -13.723 1.00 0.00 C ATOM 1357 CG PHE A 96 -12.327 -11.572 -14.872 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -13.649 -11.339 -14.650 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.897 -11.917 -16.115 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -14.580 -11.459 -15.716 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -12.827 -12.036 -17.181 1.00 0.00 C ATOM 1362 CZ PHE A 96 -14.149 -11.804 -16.960 1.00 0.00 C ATOM 0 H PHE A 96 -12.304 -9.032 -12.361 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.207 -9.944 -12.594 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -10.467 -12.083 -13.930 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -11.787 -11.817 -12.809 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.990 -11.063 -13.663 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -10.847 -12.101 -16.291 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.630 -11.277 -15.539 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -12.485 -12.311 -18.168 1.00 0.00 H new ATOM 0 HZ PHE A 96 -14.856 -11.894 -17.771 1.00 0.00 H new ATOM 1371 N GLY A 97 -9.593 -8.306 -14.645 1.00 0.00 N ATOM 1372 CA GLY A 97 -8.792 -7.744 -15.719 1.00 0.00 C ATOM 1373 C GLY A 97 -8.099 -6.455 -15.270 1.00 0.00 C ATOM 1374 O GLY A 97 -6.882 -6.429 -15.100 1.00 0.00 O ATOM 0 H GLY A 97 -9.804 -7.658 -13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.045 -8.470 -16.039 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.426 -7.539 -16.581 1.00 0.00 H new ATOM 1378 N PRO A 98 -8.927 -5.392 -15.086 1.00 0.00 N ATOM 1379 CA PRO A 98 -8.407 -4.104 -14.660 1.00 0.00 C ATOM 1380 C PRO A 98 -8.045 -4.123 -13.173 1.00 0.00 C ATOM 1381 O PRO A 98 -8.574 -3.335 -12.391 1.00 0.00 O ATOM 1382 CB PRO A 98 -9.506 -3.107 -14.991 1.00 0.00 C ATOM 1383 CG PRO A 98 -10.775 -3.926 -15.158 1.00 0.00 C ATOM 1384 CD PRO A 98 -10.374 -5.388 -15.277 1.00 0.00 C ATOM 0 HA PRO A 98 -7.479 -3.837 -15.166 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.618 -2.371 -14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.273 -2.557 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.438 -3.780 -14.305 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.322 -3.607 -16.045 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.874 -5.998 -14.525 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.646 -5.795 -16.251 1.00 0.00 H new ATOM 1389 N GLY A 99 -7.145 -5.033 -12.828 1.00 0.00 N ATOM 1390 CA GLY A 99 -6.706 -5.166 -11.449 1.00 0.00 C ATOM 1391 C GLY A 99 -5.258 -4.698 -11.288 1.00 0.00 C ATOM 1392 O GLY A 99 -4.497 -5.282 -10.518 1.00 0.00 O ATOM 0 H GLY A 99 -6.708 -5.685 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.356 -4.581 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.793 -6.206 -11.134 1.00 0.00 H new ATOM 1396 N ALA A 100 -4.922 -3.651 -12.026 1.00 0.00 N ATOM 1397 CA ALA A 100 -3.579 -3.099 -11.973 1.00 0.00 C ATOM 1398 C ALA A 100 -3.585 -1.834 -11.112 1.00 0.00 C ATOM 1399 O ALA A 100 -4.641 -1.258 -10.857 1.00 0.00 O ATOM 1400 CB ALA A 100 -3.080 -2.834 -13.396 1.00 0.00 C ATOM 0 H ALA A 100 -5.556 -3.170 -12.664 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.891 -3.807 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.073 -2.420 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.067 -3.769 -13.957 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.745 -2.125 -13.889 1.00 0.00 H new ATOM 1406 N VAL A 101 -2.393 -1.440 -10.688 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.247 -0.254 -9.862 1.00 0.00 C ATOM 1408 C VAL A 101 -2.688 0.975 -10.659 1.00 0.00 C ATOM 1409 O VAL A 101 -3.259 1.910 -10.100 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.810 -0.148 -9.346 1.00 0.00 C ATOM 1411 CG1 VAL A 101 0.185 -0.091 -10.506 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.647 1.060 -8.423 1.00 0.00 C ATOM 0 H VAL A 101 -1.519 -1.921 -10.901 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.889 -0.320 -8.984 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.595 -1.044 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.199 -0.016 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.095 -0.996 -11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.029 0.779 -11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.383 1.112 -8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.890 1.971 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.318 0.959 -7.570 1.00 0.00 H new ATOM 1422 N ILE A 102 -2.406 0.934 -11.952 1.00 0.00 N ATOM 1423 CA ILE A 102 -2.767 2.033 -12.832 1.00 0.00 C ATOM 1424 C ILE A 102 -4.291 2.154 -12.892 1.00 0.00 C ATOM 1425 O ILE A 102 -4.830 3.260 -12.872 1.00 0.00 O ATOM 1426 CB ILE A 102 -2.110 1.860 -14.203 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -0.886 2.767 -14.343 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -3.122 2.086 -15.329 1.00 0.00 C ATOM 1429 CD1 ILE A 102 0.322 1.983 -14.861 1.00 0.00 C ATOM 0 H ILE A 102 -1.932 0.157 -12.412 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.387 2.976 -12.438 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.760 0.831 -14.286 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.112 3.586 -15.026 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.647 3.213 -13.378 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.629 1.957 -16.293 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -3.935 1.365 -15.238 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.524 3.097 -15.260 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.178 2.652 -14.951 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.561 1.180 -14.164 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.089 1.558 -15.837 1.00 0.00 H new ATOM 1440 N LYS A 103 -4.942 1.003 -12.963 1.00 0.00 N ATOM 1441 CA LYS A 103 -6.393 0.966 -13.026 1.00 0.00 C ATOM 1442 C LYS A 103 -6.970 1.513 -11.719 1.00 0.00 C ATOM 1443 O LYS A 103 -8.013 2.165 -11.721 1.00 0.00 O ATOM 1444 CB LYS A 103 -6.879 -0.443 -13.371 1.00 0.00 C ATOM 1445 CG LYS A 103 -7.367 -0.516 -14.819 1.00 0.00 C ATOM 1446 CD LYS A 103 -6.587 -1.571 -15.607 1.00 0.00 C ATOM 1447 CE LYS A 103 -5.603 -0.915 -16.577 1.00 0.00 C ATOM 1448 NZ LYS A 103 -4.512 -1.854 -16.922 1.00 0.00 N ATOM 0 H LYS A 103 -4.491 0.088 -12.978 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.756 1.608 -13.828 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.070 -1.158 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.686 -0.728 -12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.430 -0.756 -14.837 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.252 0.458 -15.295 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.046 -2.219 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.281 -2.204 -16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.126 -0.607 -17.482 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.187 -0.013 -16.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.853 -1.393 -17.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.003 -2.127 -16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.913 -2.703 -17.370 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.264 1.228 -10.634 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.693 1.684 -9.322 1.00 0.00 C ATOM 1459 C GLU A 104 -7.127 3.149 -9.384 1.00 0.00 C ATOM 1460 O GLU A 104 -8.054 3.556 -8.687 1.00 0.00 O ATOM 1461 CB GLU A 104 -5.588 1.481 -8.284 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.887 2.803 -7.965 1.00 0.00 C ATOM 1463 CD GLU A 104 -3.775 2.600 -6.934 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -3.513 1.460 -6.522 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.175 3.679 -6.560 1.00 0.00 O ATOM 0 H GLU A 104 -5.399 0.688 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.550 1.086 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.013 1.061 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.861 0.760 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.468 3.226 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.613 3.521 -7.585 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.434 3.902 -10.226 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.735 5.314 -10.388 1.00 0.00 C ATOM 1473 C PHE A 105 -8.244 5.544 -10.507 1.00 0.00 C ATOM 1474 O PHE A 105 -8.762 6.548 -10.024 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.058 5.770 -11.682 1.00 0.00 C ATOM 1476 CG PHE A 105 -4.613 6.239 -11.497 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -3.742 5.488 -10.773 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -4.202 7.408 -12.058 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -2.402 5.924 -10.601 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -2.861 7.844 -11.887 1.00 0.00 C ATOM 1481 CZ PHE A 105 -1.989 7.093 -11.162 1.00 0.00 C ATOM 0 H PHE A 105 -5.665 3.561 -10.803 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.377 5.872 -9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.073 4.948 -12.397 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.640 6.582 -12.118 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.069 4.560 -10.329 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.895 8.004 -12.633 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.710 5.328 -10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -2.534 8.772 -12.333 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.969 7.424 -11.032 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.904 4.594 -11.153 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.343 4.679 -11.342 1.00 0.00 C ATOM 1492 C LYS A 106 -10.988 5.231 -10.069 1.00 0.00 C ATOM 1493 O LYS A 106 -11.891 6.063 -10.137 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.906 3.326 -11.780 1.00 0.00 C ATOM 1495 CG LYS A 106 -10.811 3.158 -13.297 1.00 0.00 C ATOM 1496 CD LYS A 106 -10.258 1.779 -13.662 1.00 0.00 C ATOM 1497 CE LYS A 106 -10.874 0.691 -12.781 1.00 0.00 C ATOM 1498 NZ LYS A 106 -11.400 -0.414 -13.613 1.00 0.00 N ATOM 0 H LYS A 106 -8.470 3.762 -11.552 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.582 5.373 -12.148 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.358 2.523 -11.287 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.946 3.242 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.797 3.288 -13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.168 3.934 -13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.467 1.565 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.174 1.775 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.124 0.308 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.677 1.114 -12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.436 -1.287 -13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.357 -0.175 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.777 -0.558 -14.433 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.498 4.747 -8.937 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.015 5.181 -7.650 1.00 0.00 C ATOM 1509 C ILE A 107 -11.323 6.678 -7.710 1.00 0.00 C ATOM 1510 O ILE A 107 -12.243 7.153 -7.045 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.051 4.795 -6.528 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -8.667 5.404 -6.760 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -9.988 3.276 -6.356 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -8.320 6.412 -5.661 1.00 0.00 C ATOM 0 H ILE A 107 -9.748 4.058 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.951 4.671 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.432 5.208 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -7.917 4.613 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.641 5.897 -7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.295 3.029 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.980 2.896 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.644 2.819 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.331 6.830 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.058 7.214 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.323 5.911 -4.693 1.00 0.00 H new ATOM 1525 N THR A 108 -10.535 7.382 -8.510 1.00 0.00 N ATOM 1526 CA THR A 108 -10.713 8.816 -8.664 1.00 0.00 C ATOM 1527 C THR A 108 -10.151 9.281 -10.009 1.00 0.00 C ATOM 1528 O THR A 108 -10.904 9.678 -10.896 1.00 0.00 O ATOM 1529 CB THR A 108 -10.062 9.504 -7.463 1.00 0.00 C ATOM 1530 OG1 THR A 108 -8.847 8.786 -7.267 1.00 0.00 O ATOM 1531 CG2 THR A 108 -10.842 9.278 -6.166 1.00 0.00 C ATOM 0 H THR A 108 -9.772 6.986 -9.058 1.00 0.00 H new ATOM 0 HA THR A 108 -11.769 9.085 -8.678 1.00 0.00 H new ATOM 0 HB THR A 108 -9.982 10.574 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.360 9.168 -6.507 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.338 9.787 -5.345 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.851 9.676 -6.274 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.894 8.210 -5.954 1.00 0.00 H new ATOM 1539 N ASP A 109 -8.832 9.215 -10.118 1.00 0.00 N ATOM 1540 CA ASP A 109 -8.161 9.625 -11.340 1.00 0.00 C ATOM 1541 C ASP A 109 -8.734 8.839 -12.520 1.00 0.00 C ATOM 1542 O ASP A 109 -8.163 8.844 -13.609 1.00 0.00 O ATOM 1543 CB ASP A 109 -6.659 9.338 -11.266 1.00 0.00 C ATOM 1544 CG ASP A 109 -5.913 10.081 -10.155 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -5.358 9.462 -9.234 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -5.915 11.366 -10.262 1.00 0.00 O ATOM 0 H ASP A 109 -8.210 8.884 -9.380 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.318 10.696 -11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.515 8.267 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.207 9.598 -12.223 1.00 0.00 H new