USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 810 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 94 ASN : amide:sc= -2.1 K(o=-3.9,f=-12!) USER MOD Set 1.2: A 97 THR OG1 : rot -168:sc= -1.75 USER MOD Set 2.1: A 24 SER OG : rot -123:sc= 1.24 USER MOD Set 2.2: A 28 TYR OH : rot 179:sc= 1.51 USER MOD Set 2.3: A 81 ASN : amide:sc= -3.31! C(o=3.7!,f=-0.94!) USER MOD Set 2.4: A 83 TYR OH : rot 13:sc= 1.52 USER MOD Set 2.5: A 89 TYR OH : rot 180:sc= 0.706 USER MOD Set 2.6: A 92 THR OG1 : rot -87:sc= 2.01 USER MOD Set 3.1: A 29 ASN : amide:sc= -16.1! C(o=-19!,f=-20!) USER MOD Set 3.2: A 72 ASN : amide:sc= -2.81 K(o=-19,f=-20!) USER MOD Set 4.1: A 9 ASN :FLIP amide:sc= 0.696 F(o=-0.94,f=1.2) USER MOD Set 4.2: A 66 TYR OH : rot -121:sc= 0.529 USER MOD Set 5.1: A 3 MET CE :methyl -162:sc= -0.184 (180deg=-0.678) USER MOD Set 5.2: A 6 SER OG : rot 46:sc= 0.106 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0892 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -117:sc= -0.181 (180deg=-4.12!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.228 USER MOD Single : A 14 SER OG : rot -138:sc= 0.927 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.064 F(o=-0.87,f=-0.064) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.79) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 61:sc= 1.26 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.379 F(o=-3.6!,f=-0.38) USER MOD Single : A 38 ASN : amide:sc= 0.0283 K(o=0.028,f=-1.7) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -72:sc= -0.341 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.665 F(o=-2.1,f=-0.66) USER MOD Single : A 77 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 42:sc= -0.739! USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= -2.53 (180deg=-5.03!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -78:sc= -3.7! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.8!) USER MOD Single : A 107 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.4!) USER MOD Single : A 113 TYR OH : rot 175:sc= -0.902! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.319 7.046 -4.960 1.00 9.37 N ATOM 2 CA GLY A 1 -23.397 8.192 -5.135 1.00 8.59 C ATOM 3 C GLY A 1 -22.477 8.003 -6.321 1.00 7.91 C ATOM 4 O GLY A 1 -22.635 7.054 -7.086 1.00 8.10 O ATOM 0 H1 GLY A 1 -25.302 7.378 -5.030 1.00 9.37 H new ATOM 0 H2 GLY A 1 -24.138 6.339 -5.701 1.00 9.37 H new ATOM 0 H3 GLY A 1 -24.165 6.616 -4.026 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -23.976 9.106 -5.267 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -22.802 8.320 -4.231 1.00 8.59 H new ATOM 10 N HIS A 2 -21.513 8.900 -6.475 1.00 7.42 N ATOM 11 CA HIS A 2 -20.566 8.823 -7.585 1.00 7.06 C ATOM 12 C HIS A 2 -19.134 8.976 -7.086 1.00 6.29 C ATOM 13 O HIS A 2 -18.191 9.001 -7.872 1.00 6.27 O ATOM 14 CB HIS A 2 -20.879 9.895 -8.642 1.00 7.61 C ATOM 15 CG HIS A 2 -20.796 11.305 -8.136 1.00 7.99 C ATOM 16 ND1 HIS A 2 -21.872 11.974 -7.597 1.00 8.53 N ATOM 17 CD2 HIS A 2 -19.756 12.173 -8.089 1.00 8.23 C ATOM 18 CE1 HIS A 2 -21.502 13.188 -7.242 1.00 9.04 C ATOM 19 NE2 HIS A 2 -20.224 13.335 -7.529 1.00 8.89 N ATOM 0 H HIS A 2 -21.364 9.690 -5.847 1.00 7.42 H new ATOM 0 HA HIS A 2 -20.667 7.841 -8.047 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -20.186 9.779 -9.476 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -21.881 9.720 -9.034 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -18.748 11.985 -8.429 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -22.138 13.936 -6.792 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -19.672 14.176 -7.362 1.00 8.89 H new ATOM 28 N MET A 3 -18.980 9.072 -5.774 1.00 6.00 N ATOM 29 CA MET A 3 -17.670 9.287 -5.172 1.00 5.58 C ATOM 30 C MET A 3 -17.102 7.987 -4.619 1.00 4.91 C ATOM 31 O MET A 3 -15.990 7.966 -4.089 1.00 5.15 O ATOM 32 CB MET A 3 -17.757 10.327 -4.053 1.00 6.12 C ATOM 33 CG MET A 3 -18.101 11.726 -4.538 1.00 6.74 C ATOM 34 SD MET A 3 -16.839 12.424 -5.620 1.00 7.54 S ATOM 35 CE MET A 3 -15.425 12.466 -4.516 1.00 8.13 C ATOM 0 H MET A 3 -19.746 9.005 -5.104 1.00 6.00 H new ATOM 0 HA MET A 3 -17.003 9.655 -5.952 1.00 5.58 H new ATOM 0 HB2 MET A 3 -18.509 10.008 -3.331 1.00 6.12 H new ATOM 0 HB3 MET A 3 -16.803 10.360 -3.526 1.00 6.12 H new ATOM 0 HG2 MET A 3 -19.052 11.697 -5.069 1.00 6.74 H new ATOM 0 HG3 MET A 3 -18.237 12.380 -3.677 1.00 6.74 H new ATOM 0 HE1 MET A 3 -14.673 13.148 -4.913 1.00 8.13 H new ATOM 0 HE2 MET A 3 -15.742 12.810 -3.531 1.00 8.13 H new ATOM 0 HE3 MET A 3 -14.999 11.466 -4.432 1.00 8.13 H new ATOM 45 N SER A 4 -17.860 6.904 -4.759 1.00 4.47 N ATOM 46 CA SER A 4 -17.443 5.603 -4.246 1.00 4.12 C ATOM 47 C SER A 4 -16.420 4.946 -5.175 1.00 2.93 C ATOM 48 O SER A 4 -16.579 3.803 -5.609 1.00 3.19 O ATOM 49 CB SER A 4 -18.660 4.700 -4.054 1.00 5.00 C ATOM 50 OG SER A 4 -19.590 5.293 -3.158 1.00 5.76 O ATOM 0 H SER A 4 -18.768 6.901 -5.224 1.00 4.47 H new ATOM 0 HA SER A 4 -16.963 5.753 -3.279 1.00 4.12 H new ATOM 0 HB2 SER A 4 -19.139 4.518 -5.016 1.00 5.00 H new ATOM 0 HB3 SER A 4 -18.343 3.731 -3.668 1.00 5.00 H new ATOM 0 HG SER A 4 -20.363 4.700 -3.049 1.00 5.76 H new ATOM 56 N ARG A 5 -15.386 5.707 -5.485 1.00 2.17 N ATOM 57 CA ARG A 5 -14.253 5.234 -6.261 1.00 1.45 C ATOM 58 C ARG A 5 -13.041 6.088 -5.932 1.00 1.37 C ATOM 59 O ARG A 5 -12.009 6.016 -6.598 1.00 2.25 O ATOM 60 CB ARG A 5 -14.542 5.314 -7.762 1.00 2.10 C ATOM 61 CG ARG A 5 -14.907 6.713 -8.238 1.00 2.57 C ATOM 62 CD ARG A 5 -14.900 6.803 -9.754 1.00 3.37 C ATOM 63 NE ARG A 5 -15.744 5.782 -10.369 1.00 3.96 N ATOM 64 CZ ARG A 5 -15.655 5.418 -11.647 1.00 4.93 C ATOM 65 NH1 ARG A 5 -14.779 6.010 -12.450 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -16.439 4.458 -12.118 1.00 5.73 N ATOM 0 H ARG A 5 -15.308 6.684 -5.201 1.00 2.17 H new ATOM 0 HA ARG A 5 -14.064 4.191 -6.006 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -13.666 4.969 -8.311 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -15.358 4.633 -8.003 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -15.894 6.981 -7.861 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -14.201 7.435 -7.826 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -15.245 7.791 -10.060 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -13.878 6.696 -10.118 1.00 3.37 H new ATOM 0 HE ARG A 5 -16.442 5.321 -9.786 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -14.172 6.746 -12.089 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -14.713 5.729 -13.428 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -17.110 3.999 -11.502 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -16.371 4.179 -13.097 1.00 5.73 H new ATOM 80 N SER A 6 -13.180 6.898 -4.890 1.00 0.64 N ATOM 81 CA SER A 6 -12.163 7.866 -4.540 1.00 0.52 C ATOM 82 C SER A 6 -12.247 8.240 -3.075 1.00 0.51 C ATOM 83 O SER A 6 -13.048 9.088 -2.683 1.00 0.73 O ATOM 84 CB SER A 6 -12.297 9.103 -5.434 1.00 0.63 C ATOM 85 OG SER A 6 -13.652 9.521 -5.517 1.00 1.52 O ATOM 0 H SER A 6 -13.993 6.899 -4.274 1.00 0.64 H new ATOM 0 HA SER A 6 -11.183 7.419 -4.705 1.00 0.52 H new ATOM 0 HB2 SER A 6 -11.686 9.913 -5.036 1.00 0.63 H new ATOM 0 HB3 SER A 6 -11.919 8.879 -6.432 1.00 0.63 H new ATOM 0 HG SER A 6 -14.048 9.527 -4.621 1.00 1.52 H new ATOM 91 N GLU A 7 -11.410 7.597 -2.274 1.00 0.54 N ATOM 92 CA GLU A 7 -11.442 7.774 -0.836 1.00 0.53 C ATOM 93 C GLU A 7 -10.048 7.694 -0.223 1.00 0.44 C ATOM 94 O GLU A 7 -9.670 8.564 0.559 1.00 0.55 O ATOM 95 CB GLU A 7 -12.363 6.732 -0.227 1.00 0.56 C ATOM 96 CG GLU A 7 -13.806 7.062 -0.470 1.00 0.73 C ATOM 97 CD GLU A 7 -14.778 6.153 0.251 1.00 1.22 C ATOM 98 OE1 GLU A 7 -15.534 5.423 -0.421 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.803 6.180 1.500 1.00 1.37 O1- ATOM 0 H GLU A 7 -10.697 6.945 -2.602 1.00 0.54 H new ATOM 0 HA GLU A 7 -11.824 8.771 -0.617 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -12.137 5.753 -0.650 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -12.180 6.666 0.845 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -13.989 8.091 -0.160 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -14.004 7.011 -1.541 1.00 0.73 H new ATOM 106 N VAL A 8 -9.284 6.667 -0.599 1.00 0.30 N ATOM 107 CA VAL A 8 -7.927 6.468 -0.084 1.00 0.24 C ATOM 108 C VAL A 8 -7.910 6.282 1.438 1.00 0.19 C ATOM 109 O VAL A 8 -8.001 7.243 2.207 1.00 0.28 O ATOM 110 CB VAL A 8 -6.983 7.628 -0.464 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.589 7.410 0.106 1.00 0.31 C ATOM 112 CG2 VAL A 8 -6.919 7.802 -1.975 1.00 0.45 C ATOM 0 H VAL A 8 -9.585 5.954 -1.264 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.565 5.554 -0.555 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.388 8.542 -0.029 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -4.946 8.243 -0.178 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.646 7.349 1.193 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.176 6.482 -0.288 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.248 8.625 -2.218 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.548 6.884 -2.432 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -7.915 8.021 -2.359 1.00 0.45 H new ATOM 122 N ASN A 9 -7.778 5.038 1.858 1.00 0.15 N ATOM 123 CA ASN A 9 -7.760 4.688 3.268 1.00 0.22 C ATOM 124 C ASN A 9 -7.085 3.335 3.452 1.00 0.16 C ATOM 125 O ASN A 9 -6.653 2.728 2.474 1.00 0.15 O ATOM 126 CB ASN A 9 -9.189 4.686 3.826 1.00 0.41 C ATOM 127 CG ASN A 9 -10.186 3.974 2.932 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.509 2.736 3.258 1.00 1.41 O flip ATOM 129 ND2 ASN A 9 -10.700 4.555 1.976 1.00 0.96 N flip ATOM 0 H ASN A 9 -7.680 4.239 1.231 1.00 0.15 H new ATOM 0 HA ASN A 9 -7.187 5.430 3.824 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -9.187 4.210 4.806 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.515 5.716 3.973 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -10.426 5.512 1.753 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -11.400 4.079 1.407 1.00 0.96 H new ATOM 136 N MET A 10 -6.972 2.873 4.694 1.00 0.15 N ATOM 137 CA MET A 10 -6.264 1.623 4.980 1.00 0.12 C ATOM 138 C MET A 10 -7.242 0.458 5.065 1.00 0.08 C ATOM 139 O MET A 10 -6.866 -0.709 5.082 1.00 0.09 O ATOM 140 CB MET A 10 -5.457 1.767 6.253 1.00 0.18 C ATOM 141 CG MET A 10 -4.568 2.994 6.225 1.00 0.39 C ATOM 142 SD MET A 10 -3.330 2.933 4.933 1.00 0.89 S ATOM 143 CE MET A 10 -2.590 4.548 5.095 1.00 0.24 C ATOM 0 H MET A 10 -7.358 3.339 5.515 1.00 0.15 H new ATOM 0 HA MET A 10 -5.574 1.409 4.163 1.00 0.12 H new ATOM 0 HB2 MET A 10 -6.133 1.828 7.106 1.00 0.18 H new ATOM 0 HB3 MET A 10 -4.843 0.878 6.396 1.00 0.18 H new ATOM 0 HG2 MET A 10 -5.187 3.881 6.086 1.00 0.39 H new ATOM 0 HG3 MET A 10 -4.073 3.099 7.190 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.755 5.117 4.180 1.00 0.24 H new ATOM 0 HE2 MET A 10 -3.043 5.073 5.936 1.00 0.24 H new ATOM 0 HE3 MET A 10 -1.519 4.442 5.269 1.00 0.24 H new ATOM 153 N GLY A 11 -8.490 0.854 5.127 1.00 0.10 N ATOM 154 CA GLY A 11 -9.677 -0.001 5.051 1.00 0.10 C ATOM 155 C GLY A 11 -9.889 -0.957 6.209 1.00 0.08 C ATOM 156 O GLY A 11 -11.027 -1.164 6.631 1.00 0.10 O ATOM 0 H GLY A 11 -8.732 1.839 5.239 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.556 0.639 4.970 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.621 -0.584 4.132 1.00 0.10 H new ATOM 160 N LEU A 12 -8.827 -1.518 6.745 1.00 0.07 N ATOM 161 CA LEU A 12 -8.893 -2.246 7.987 1.00 0.07 C ATOM 162 C LEU A 12 -7.916 -1.655 8.970 1.00 0.08 C ATOM 163 O LEU A 12 -7.098 -0.801 8.624 1.00 0.09 O ATOM 164 CB LEU A 12 -8.626 -3.730 7.777 1.00 0.08 C ATOM 165 CG LEU A 12 -9.550 -4.447 6.789 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.169 -5.907 6.687 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.013 -4.335 7.180 1.00 0.11 C ATOM 0 H LEU A 12 -7.896 -1.481 6.330 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.902 -2.156 8.390 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.598 -3.849 7.434 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.700 -4.232 8.742 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.425 -3.958 5.823 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.832 -6.408 5.982 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.139 -5.991 6.339 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.260 -6.376 7.667 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.627 -4.860 6.448 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.162 -4.780 8.164 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.302 -3.285 7.210 1.00 0.11 H new ATOM 179 N SER A 13 -8.003 -2.119 10.184 1.00 0.10 N ATOM 180 CA SER A 13 -7.089 -1.721 11.219 1.00 0.12 C ATOM 181 C SER A 13 -5.964 -2.742 11.352 1.00 0.13 C ATOM 182 O SER A 13 -6.209 -3.921 11.626 1.00 0.16 O ATOM 183 CB SER A 13 -7.863 -1.571 12.519 1.00 0.15 C ATOM 184 OG SER A 13 -7.009 -1.600 13.647 1.00 1.20 O ATOM 0 H SER A 13 -8.712 -2.787 10.486 1.00 0.10 H new ATOM 0 HA SER A 13 -6.629 -0.765 10.969 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.416 -0.632 12.506 1.00 0.15 H new ATOM 0 HB3 SER A 13 -8.598 -2.372 12.599 1.00 0.15 H new ATOM 0 HG SER A 13 -7.542 -1.499 14.463 1.00 1.20 H new ATOM 190 N SER A 14 -4.731 -2.292 11.143 1.00 0.13 N ATOM 191 CA SER A 14 -3.566 -3.152 11.286 1.00 0.14 C ATOM 192 C SER A 14 -3.164 -3.272 12.758 1.00 0.17 C ATOM 193 O SER A 14 -2.069 -3.735 13.086 1.00 0.19 O ATOM 194 CB SER A 14 -2.401 -2.594 10.468 1.00 0.16 C ATOM 195 OG SER A 14 -2.065 -1.283 10.893 1.00 0.20 O ATOM 0 H SER A 14 -4.514 -1.333 10.873 1.00 0.13 H new ATOM 0 HA SER A 14 -3.819 -4.145 10.914 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.534 -3.247 10.570 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.667 -2.581 9.411 1.00 0.16 H new ATOM 0 HG SER A 14 -1.889 -0.720 10.110 1.00 0.20 H new ATOM 201 N ALA A 15 -4.059 -2.861 13.637 1.00 0.21 N ATOM 202 CA ALA A 15 -3.816 -2.934 15.062 1.00 0.26 C ATOM 203 C ALA A 15 -4.143 -4.327 15.586 1.00 0.28 C ATOM 204 O ALA A 15 -5.305 -4.732 15.612 1.00 0.35 O ATOM 205 CB ALA A 15 -4.636 -1.873 15.777 1.00 0.32 C ATOM 0 H ALA A 15 -4.967 -2.471 13.384 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.760 -2.744 15.257 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.450 -1.931 16.850 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.351 -0.886 15.412 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.695 -2.040 15.583 1.00 0.32 H new ATOM 211 N GLY A 16 -3.109 -5.064 15.971 1.00 0.27 N ATOM 212 CA GLY A 16 -3.298 -6.414 16.470 1.00 0.31 C ATOM 213 C GLY A 16 -3.114 -7.461 15.388 1.00 0.26 C ATOM 214 O GLY A 16 -2.883 -8.634 15.678 1.00 0.31 O ATOM 0 H GLY A 16 -2.139 -4.750 15.947 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.591 -6.602 17.278 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.298 -6.505 16.894 1.00 0.31 H new ATOM 218 N VAL A 17 -3.206 -7.027 14.137 1.00 0.19 N ATOM 219 CA VAL A 17 -3.094 -7.919 12.999 1.00 0.15 C ATOM 220 C VAL A 17 -1.693 -8.462 12.848 1.00 0.15 C ATOM 221 O VAL A 17 -0.707 -7.809 13.200 1.00 0.18 O ATOM 222 CB VAL A 17 -3.495 -7.204 11.693 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.476 -6.152 11.322 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.644 -8.190 10.565 1.00 0.11 C ATOM 0 H VAL A 17 -3.360 -6.050 13.888 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.775 -8.749 13.186 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.456 -6.718 11.863 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.780 -5.661 10.398 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.409 -5.413 12.120 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.503 -6.622 11.180 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.927 -7.661 9.655 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.697 -8.706 10.405 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.416 -8.917 10.817 1.00 0.11 H new ATOM 234 N ALA A 18 -1.621 -9.668 12.332 1.00 0.14 N ATOM 235 CA ALA A 18 -0.357 -10.280 12.041 1.00 0.14 C ATOM 236 C ALA A 18 0.082 -9.913 10.636 1.00 0.13 C ATOM 237 O ALA A 18 0.051 -10.723 9.712 1.00 0.13 O ATOM 238 CB ALA A 18 -0.469 -11.778 12.211 1.00 0.16 C ATOM 0 H ALA A 18 -2.433 -10.243 12.106 1.00 0.14 H new ATOM 0 HA ALA A 18 0.400 -9.914 12.735 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.492 -12.242 11.990 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.755 -12.007 13.238 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.225 -12.166 11.529 1.00 0.16 H new ATOM 244 N VAL A 19 0.528 -8.686 10.505 1.00 0.12 N ATOM 245 CA VAL A 19 0.905 -8.135 9.216 1.00 0.11 C ATOM 246 C VAL A 19 2.356 -8.429 8.873 1.00 0.11 C ATOM 247 O VAL A 19 3.244 -8.321 9.719 1.00 0.12 O ATOM 248 CB VAL A 19 0.623 -6.618 9.165 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.913 -5.983 10.500 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.428 -5.939 8.078 1.00 0.11 C ATOM 0 H VAL A 19 0.641 -8.039 11.285 1.00 0.12 H new ATOM 0 HA VAL A 19 0.291 -8.626 8.461 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.433 -6.487 8.931 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.709 -4.914 10.446 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.280 -6.435 11.263 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.960 -6.140 10.758 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.204 -4.872 8.072 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.491 -6.085 8.268 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.169 -6.370 7.111 1.00 0.11 H new ATOM 260 N GLN A 20 2.585 -8.814 7.624 1.00 0.09 N ATOM 261 CA GLN A 20 3.920 -9.118 7.174 1.00 0.10 C ATOM 262 C GLN A 20 4.624 -7.854 6.716 1.00 0.10 C ATOM 263 O GLN A 20 4.452 -7.410 5.587 1.00 0.11 O ATOM 264 CB GLN A 20 3.866 -10.129 6.039 1.00 0.11 C ATOM 265 CG GLN A 20 3.125 -11.399 6.396 1.00 0.13 C ATOM 266 CD GLN A 20 3.455 -12.546 5.473 1.00 0.24 C ATOM 267 OE1 GLN A 20 2.683 -12.689 4.414 1.00 0.66 O flip ATOM 268 NE2 GLN A 20 4.395 -13.299 5.713 1.00 0.48 N flip ATOM 0 H GLN A 20 1.861 -8.920 6.914 1.00 0.09 H new ATOM 0 HA GLN A 20 4.482 -9.546 8.004 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.386 -9.668 5.175 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.883 -10.383 5.741 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.369 -11.681 7.420 1.00 0.13 H new ATOM 0 HG3 GLN A 20 2.052 -11.210 6.364 1.00 0.13 H new ATOM 0 HE21 GLN A 20 4.967 -13.152 6.545 1.00 0.48 H new ATOM 0 HE22 GLN A 20 4.604 -14.072 5.081 1.00 0.48 H new ATOM 277 N ARG A 21 5.474 -7.322 7.569 1.00 0.10 N ATOM 278 CA ARG A 21 6.160 -6.079 7.275 1.00 0.12 C ATOM 279 C ARG A 21 7.485 -6.332 6.570 1.00 0.14 C ATOM 280 O ARG A 21 7.876 -5.581 5.681 1.00 0.16 O ATOM 281 CB ARG A 21 6.392 -5.307 8.567 1.00 0.13 C ATOM 282 CG ARG A 21 5.155 -5.226 9.446 1.00 0.16 C ATOM 283 CD ARG A 21 4.860 -3.791 9.829 1.00 0.33 C ATOM 284 NE ARG A 21 3.716 -3.666 10.733 1.00 0.40 N ATOM 285 CZ ARG A 21 2.779 -2.719 10.628 1.00 0.58 C ATOM 286 NH1 ARG A 21 2.776 -1.885 9.592 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 1.829 -2.623 11.549 1.00 0.62 N ATOM 0 H ARG A 21 5.708 -7.731 8.474 1.00 0.10 H new ATOM 0 HA ARG A 21 5.534 -5.490 6.605 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.197 -5.782 9.127 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.725 -4.298 8.325 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.300 -5.649 8.918 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.303 -5.824 10.345 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.741 -3.359 10.304 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.668 -3.211 8.926 1.00 0.33 H new ATOM 0 HE ARG A 21 3.628 -4.344 11.490 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.492 -1.966 8.870 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.057 -1.165 9.519 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.814 -3.272 12.336 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.113 -1.901 11.470 1.00 0.62 H new ATOM 301 N SER A 22 8.157 -7.404 6.957 1.00 0.18 N ATOM 302 CA SER A 22 9.443 -7.753 6.373 1.00 0.21 C ATOM 303 C SER A 22 9.264 -8.278 4.953 1.00 0.19 C ATOM 304 O SER A 22 10.203 -8.304 4.157 1.00 0.28 O ATOM 305 CB SER A 22 10.132 -8.798 7.232 1.00 0.28 C ATOM 306 OG SER A 22 10.309 -8.334 8.563 1.00 0.89 O ATOM 0 H SER A 22 7.832 -8.050 7.676 1.00 0.18 H new ATOM 0 HA SER A 22 10.062 -6.857 6.333 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.541 -9.714 7.239 1.00 0.28 H new ATOM 0 HB3 SER A 22 11.101 -9.047 6.799 1.00 0.28 H new ATOM 0 HG SER A 22 10.753 -9.027 9.095 1.00 0.89 H new ATOM 312 N ALA A 23 8.039 -8.674 4.645 1.00 0.14 N ATOM 313 CA ALA A 23 7.697 -9.190 3.332 1.00 0.14 C ATOM 314 C ALA A 23 7.493 -8.058 2.334 1.00 0.13 C ATOM 315 O ALA A 23 7.125 -8.290 1.185 1.00 0.17 O ATOM 316 CB ALA A 23 6.442 -10.038 3.428 1.00 0.17 C ATOM 0 H ALA A 23 7.256 -8.646 5.298 1.00 0.14 H new ATOM 0 HA ALA A 23 8.523 -9.805 2.976 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.187 -10.424 2.441 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.617 -10.871 4.109 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.619 -9.429 3.803 1.00 0.17 H new ATOM 322 N SER A 24 7.737 -6.837 2.777 1.00 0.14 N ATOM 323 CA SER A 24 7.542 -5.666 1.942 1.00 0.15 C ATOM 324 C SER A 24 8.677 -5.500 0.940 1.00 0.15 C ATOM 325 O SER A 24 9.819 -5.889 1.194 1.00 0.26 O ATOM 326 CB SER A 24 7.428 -4.422 2.817 1.00 0.17 C ATOM 327 OG SER A 24 7.308 -3.246 2.032 1.00 0.21 O ATOM 0 H SER A 24 8.073 -6.631 3.718 1.00 0.14 H new ATOM 0 HA SER A 24 6.619 -5.801 1.379 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.562 -4.514 3.472 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.306 -4.345 3.459 1.00 0.17 H new ATOM 0 HG SER A 24 8.028 -2.623 2.264 1.00 0.21 H new ATOM 333 N ARG A 25 8.339 -4.935 -0.210 1.00 0.12 N ATOM 334 CA ARG A 25 9.300 -4.668 -1.257 1.00 0.12 C ATOM 335 C ARG A 25 10.027 -3.346 -1.058 1.00 0.13 C ATOM 336 O ARG A 25 11.012 -3.072 -1.743 1.00 0.18 O ATOM 337 CB ARG A 25 8.595 -4.665 -2.601 1.00 0.17 C ATOM 338 CG ARG A 25 8.424 -6.049 -3.202 1.00 0.27 C ATOM 339 CD ARG A 25 9.763 -6.744 -3.377 1.00 0.41 C ATOM 340 NE ARG A 25 10.257 -7.311 -2.123 1.00 1.10 N ATOM 341 CZ ARG A 25 11.544 -7.444 -1.806 1.00 1.31 C ATOM 342 NH1 ARG A 25 12.489 -7.138 -2.684 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 11.878 -7.918 -0.615 1.00 2.10 N ATOM 0 H ARG A 25 7.387 -4.650 -0.439 1.00 0.12 H new ATOM 0 HA ARG A 25 10.050 -5.458 -1.222 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.614 -4.204 -2.486 1.00 0.17 H new ATOM 0 HB3 ARG A 25 9.159 -4.043 -3.296 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.781 -6.650 -2.559 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.924 -5.969 -4.167 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.665 -7.537 -4.119 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.492 -6.033 -3.765 1.00 0.41 H new ATOM 0 HE ARG A 25 9.567 -7.627 -1.442 1.00 1.10 H new ATOM 0 HH11 ARG A 25 12.233 -6.798 -3.611 1.00 1.30 H new ATOM 0 HH12 ARG A 25 13.472 -7.243 -2.433 1.00 1.30 H new ATOM 0 HH21 ARG A 25 11.152 -8.178 0.052 1.00 2.10 H new ATOM 0 HH22 ARG A 25 12.861 -8.023 -0.365 1.00 2.10 H new ATOM 357 N VAL A 26 9.537 -2.529 -0.138 1.00 0.12 N ATOM 358 CA VAL A 26 10.115 -1.214 0.099 1.00 0.12 C ATOM 359 C VAL A 26 10.319 -0.996 1.599 1.00 0.13 C ATOM 360 O VAL A 26 9.601 -1.570 2.414 1.00 0.13 O ATOM 361 CB VAL A 26 9.221 -0.102 -0.497 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.867 1.262 -0.340 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.928 -0.377 -1.965 1.00 0.12 C ATOM 0 H VAL A 26 8.740 -2.753 0.457 1.00 0.12 H new ATOM 0 HA VAL A 26 11.084 -1.166 -0.399 1.00 0.12 H new ATOM 0 HB VAL A 26 8.281 -0.101 0.054 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.216 2.024 -0.768 1.00 0.11 H new ATOM 0 HG12 VAL A 26 10.023 1.471 0.718 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.826 1.272 -0.857 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.298 0.417 -2.365 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.864 -0.413 -2.522 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.412 -1.332 -2.060 1.00 0.12 H new ATOM 373 N ALA A 27 11.310 -0.183 1.960 1.00 0.13 N ATOM 374 CA ALA A 27 11.690 -0.013 3.359 1.00 0.13 C ATOM 375 C ALA A 27 10.648 0.738 4.173 1.00 0.12 C ATOM 376 O ALA A 27 10.167 1.792 3.790 1.00 0.11 O ATOM 377 CB ALA A 27 13.026 0.688 3.484 1.00 0.14 C ATOM 0 H ALA A 27 11.863 0.367 1.303 1.00 0.13 H new ATOM 0 HA ALA A 27 11.766 -1.021 3.767 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.281 0.800 4.538 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.795 0.098 2.985 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.965 1.672 3.019 1.00 0.14 H new ATOM 383 N TYR A 28 10.374 0.177 5.322 1.00 0.13 N ATOM 384 CA TYR A 28 9.444 0.673 6.313 1.00 0.13 C ATOM 385 C TYR A 28 9.920 1.929 7.022 1.00 0.13 C ATOM 386 O TYR A 28 9.832 2.000 8.246 1.00 0.16 O ATOM 387 CB TYR A 28 9.113 -0.418 7.312 1.00 0.15 C ATOM 388 CG TYR A 28 7.693 -0.907 7.184 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.644 -0.228 7.784 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.408 -2.064 6.472 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.348 -0.689 7.676 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.115 -2.530 6.358 1.00 0.14 C ATOM 393 CZ TYR A 28 5.070 -1.774 6.932 1.00 0.14 C ATOM 394 OH TYR A 28 3.798 -2.298 6.847 1.00 0.16 O ATOM 0 H TYR A 28 10.820 -0.693 5.612 1.00 0.13 H new ATOM 0 HA TYR A 28 8.542 0.961 5.774 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.796 -1.255 7.170 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.275 -0.042 8.322 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.844 0.674 8.343 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.212 -2.608 5.999 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.551 -0.175 8.193 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.906 -3.454 5.840 1.00 0.14 H new ATOM 0 HH TYR A 28 3.802 -3.069 6.243 1.00 0.16 H new ATOM 404 N ASN A 29 10.449 2.902 6.291 1.00 0.13 N ATOM 405 CA ASN A 29 11.318 3.916 6.889 1.00 0.15 C ATOM 406 C ASN A 29 10.525 4.818 7.828 1.00 0.15 C ATOM 407 O ASN A 29 9.862 5.764 7.430 1.00 0.14 O ATOM 408 CB ASN A 29 12.008 4.789 5.802 1.00 0.15 C ATOM 409 CG ASN A 29 11.088 5.411 4.756 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.552 5.887 3.722 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.792 5.419 5.000 1.00 0.12 N ATOM 0 H ASN A 29 10.295 3.013 5.289 1.00 0.13 H new ATOM 0 HA ASN A 29 12.087 3.388 7.453 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.552 5.591 6.301 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.747 4.175 5.287 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.148 5.827 4.322 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.434 5.017 5.866 1.00 0.12 H new ATOM 418 N GLN A 30 10.621 4.514 9.113 1.00 0.18 N ATOM 419 CA GLN A 30 9.786 5.159 10.105 1.00 0.19 C ATOM 420 C GLN A 30 10.079 6.655 10.166 1.00 0.21 C ATOM 421 O GLN A 30 9.301 7.425 10.708 1.00 0.24 O ATOM 422 CB GLN A 30 9.968 4.513 11.476 1.00 0.23 C ATOM 423 CG GLN A 30 8.871 4.882 12.448 1.00 0.26 C ATOM 424 CD GLN A 30 7.519 4.350 12.047 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.395 3.280 11.454 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.499 5.121 12.351 1.00 0.29 N ATOM 0 H GLN A 30 11.270 3.824 9.490 1.00 0.18 H new ATOM 0 HA GLN A 30 8.745 5.028 9.808 1.00 0.19 H new ATOM 0 HB2 GLN A 30 9.996 3.429 11.361 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.930 4.815 11.890 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.126 4.500 13.436 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.817 5.968 12.530 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.654 6.000 12.844 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.553 4.840 12.094 1.00 0.29 H new ATOM 435 N SER A 31 11.187 7.060 9.569 1.00 0.20 N ATOM 436 CA SER A 31 11.537 8.468 9.478 1.00 0.21 C ATOM 437 C SER A 31 10.695 9.155 8.406 1.00 0.21 C ATOM 438 O SER A 31 10.260 10.287 8.590 1.00 0.30 O ATOM 439 CB SER A 31 13.022 8.628 9.166 1.00 0.23 C ATOM 440 OG SER A 31 13.814 7.950 10.124 1.00 1.11 O ATOM 0 H SER A 31 11.863 6.430 9.138 1.00 0.20 H new ATOM 0 HA SER A 31 11.331 8.939 10.439 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.233 8.237 8.171 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.284 9.686 9.155 1.00 0.23 H new ATOM 0 HG SER A 31 14.762 8.064 9.904 1.00 1.11 H new ATOM 446 N ALA A 32 10.442 8.461 7.297 1.00 0.15 N ATOM 447 CA ALA A 32 9.579 9.002 6.255 1.00 0.14 C ATOM 448 C ALA A 32 8.144 8.747 6.641 1.00 0.14 C ATOM 449 O ALA A 32 7.243 9.503 6.290 1.00 0.15 O ATOM 450 CB ALA A 32 9.877 8.389 4.893 1.00 0.12 C ATOM 0 H ALA A 32 10.819 7.534 7.101 1.00 0.15 H new ATOM 0 HA ALA A 32 9.765 10.072 6.168 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.211 8.821 4.146 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.912 8.596 4.619 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.722 7.311 4.937 1.00 0.12 H new ATOM 456 N ILE A 33 7.955 7.678 7.395 1.00 0.14 N ATOM 457 CA ILE A 33 6.645 7.311 7.890 1.00 0.16 C ATOM 458 C ILE A 33 6.167 8.334 8.906 1.00 0.19 C ATOM 459 O ILE A 33 5.018 8.751 8.897 1.00 0.22 O ATOM 460 CB ILE A 33 6.669 5.935 8.552 1.00 0.16 C ATOM 461 CG1 ILE A 33 6.982 4.847 7.523 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.354 5.668 9.242 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.149 3.469 8.129 1.00 0.15 C ATOM 0 H ILE A 33 8.703 7.045 7.679 1.00 0.14 H new ATOM 0 HA ILE A 33 5.966 7.282 7.038 1.00 0.16 H new ATOM 0 HB ILE A 33 7.459 5.920 9.303 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.181 4.815 6.785 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.895 5.114 6.991 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.382 4.684 9.711 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.182 6.428 10.004 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.547 5.698 8.510 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.369 2.749 7.341 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.970 3.484 8.846 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.229 3.181 8.637 1.00 0.15 H new ATOM 475 N ASP A 34 7.072 8.744 9.775 1.00 0.20 N ATOM 476 CA ASP A 34 6.768 9.735 10.787 1.00 0.24 C ATOM 477 C ASP A 34 6.747 11.104 10.139 1.00 0.25 C ATOM 478 O ASP A 34 6.238 12.082 10.685 1.00 0.29 O ATOM 479 CB ASP A 34 7.813 9.667 11.899 1.00 0.26 C ATOM 480 CG ASP A 34 7.587 10.676 13.004 1.00 0.78 C ATOM 481 OD1 ASP A 34 6.692 10.452 13.846 1.00 1.54 O ATOM 482 OD2 ASP A 34 8.324 11.683 13.059 1.00 1.41 O1- ATOM 0 H ASP A 34 8.032 8.401 9.799 1.00 0.20 H new ATOM 0 HA ASP A 34 5.791 9.541 11.229 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.811 8.665 12.327 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.801 9.828 11.468 1.00 0.26 H new ATOM 487 N ASP A 35 7.284 11.129 8.934 1.00 0.22 N ATOM 488 CA ASP A 35 7.293 12.306 8.092 1.00 0.24 C ATOM 489 C ASP A 35 6.015 12.340 7.260 1.00 0.24 C ATOM 490 O ASP A 35 5.950 12.992 6.220 1.00 0.25 O ATOM 491 CB ASP A 35 8.534 12.331 7.203 1.00 0.23 C ATOM 492 CG ASP A 35 8.805 13.697 6.607 1.00 0.29 C ATOM 493 OD1 ASP A 35 9.289 13.768 5.457 1.00 0.49 O ATOM 494 OD2 ASP A 35 8.512 14.707 7.277 1.00 0.48 O1- ATOM 0 H ASP A 35 7.733 10.318 8.508 1.00 0.22 H new ATOM 0 HA ASP A 35 7.329 13.196 8.720 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.399 12.017 7.787 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.413 11.606 6.398 1.00 0.23 H new ATOM 499 N SER A 36 5.036 11.536 7.694 1.00 0.25 N ATOM 500 CA SER A 36 3.715 11.424 7.059 1.00 0.27 C ATOM 501 C SER A 36 3.077 12.776 6.700 1.00 0.30 C ATOM 502 O SER A 36 2.083 12.816 5.978 1.00 0.37 O ATOM 503 CB SER A 36 2.774 10.626 7.967 1.00 0.35 C ATOM 504 OG SER A 36 2.836 9.241 7.675 1.00 1.47 O ATOM 0 H SER A 36 5.141 10.934 8.511 1.00 0.25 H new ATOM 0 HA SER A 36 3.871 10.905 6.113 1.00 0.27 H new ATOM 0 HB2 SER A 36 3.042 10.793 9.010 1.00 0.35 H new ATOM 0 HB3 SER A 36 1.752 10.982 7.839 1.00 0.35 H new ATOM 0 HG SER A 36 3.747 8.914 7.831 1.00 1.47 H new ATOM 510 N ASN A 37 3.639 13.875 7.190 1.00 0.29 N ATOM 511 CA ASN A 37 3.198 15.203 6.781 1.00 0.31 C ATOM 512 C ASN A 37 3.536 15.472 5.315 1.00 0.30 C ATOM 513 O ASN A 37 3.046 16.430 4.723 1.00 0.34 O ATOM 514 CB ASN A 37 3.799 16.298 7.683 1.00 0.34 C ATOM 515 CG ASN A 37 5.315 16.213 7.866 1.00 0.49 C ATOM 516 OD1 ASN A 37 6.045 15.788 6.845 1.00 0.97 O flip ATOM 517 ND2 ASN A 37 5.830 16.557 8.930 1.00 0.30 N flip ATOM 0 H ASN A 37 4.400 13.873 7.870 1.00 0.29 H new ATOM 0 HA ASN A 37 2.114 15.232 6.892 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.551 17.273 7.263 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.325 16.244 8.663 1.00 0.34 H new ATOM 0 HD21 ASN A 37 5.244 16.880 9.699 1.00 0.30 H new ATOM 0 HD22 ASN A 37 6.843 16.519 9.042 1.00 0.30 H new ATOM 524 N ASN A 38 4.386 14.627 4.741 1.00 0.26 N ATOM 525 CA ASN A 38 4.747 14.722 3.349 1.00 0.28 C ATOM 526 C ASN A 38 3.551 14.525 2.452 1.00 0.36 C ATOM 527 O ASN A 38 2.654 13.731 2.747 1.00 0.82 O ATOM 528 CB ASN A 38 5.779 13.659 3.019 1.00 0.21 C ATOM 529 CG ASN A 38 7.005 14.266 2.407 1.00 0.23 C ATOM 530 OD1 ASN A 38 7.115 14.413 1.191 1.00 0.25 O ATOM 531 ND2 ASN A 38 7.933 14.621 3.257 1.00 0.25 N ATOM 0 H ASN A 38 4.839 13.859 5.237 1.00 0.26 H new ATOM 0 HA ASN A 38 5.152 15.720 3.178 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.051 13.119 3.926 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.348 12.931 2.331 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.799 15.042 2.920 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.791 14.477 4.257 1.00 0.25 H new ATOM 538 N SER A 39 3.544 15.234 1.344 1.00 0.29 N ATOM 539 CA SER A 39 2.584 14.964 0.304 1.00 0.31 C ATOM 540 C SER A 39 3.061 13.755 -0.479 1.00 0.21 C ATOM 541 O SER A 39 2.400 13.317 -1.416 1.00 0.21 O ATOM 542 CB SER A 39 2.426 16.152 -0.629 1.00 0.43 C ATOM 543 OG SER A 39 2.491 17.378 0.086 1.00 1.39 O ATOM 0 H SER A 39 4.190 15.997 1.144 1.00 0.29 H new ATOM 0 HA SER A 39 1.611 14.772 0.757 1.00 0.31 H new ATOM 0 HB2 SER A 39 3.208 16.128 -1.388 1.00 0.43 H new ATOM 0 HB3 SER A 39 1.472 16.083 -1.152 1.00 0.43 H new ATOM 0 HG SER A 39 2.388 18.127 -0.538 1.00 1.39 H new ATOM 549 N ALA A 40 4.221 13.205 -0.074 1.00 0.15 N ATOM 550 CA ALA A 40 4.716 11.975 -0.651 1.00 0.12 C ATOM 551 C ALA A 40 3.754 10.854 -0.335 1.00 0.11 C ATOM 552 O ALA A 40 3.795 9.804 -0.937 1.00 0.14 O ATOM 553 CB ALA A 40 6.102 11.650 -0.122 1.00 0.10 C ATOM 0 H ALA A 40 4.820 13.604 0.649 1.00 0.15 H new ATOM 0 HA ALA A 40 4.791 12.094 -1.732 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.454 10.721 -0.570 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.788 12.458 -0.377 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.061 11.538 0.961 1.00 0.10 H new ATOM 559 N TRP A 41 2.880 11.106 0.622 1.00 0.10 N ATOM 560 CA TRP A 41 1.923 10.119 1.069 1.00 0.10 C ATOM 561 C TRP A 41 0.554 10.333 0.434 1.00 0.12 C ATOM 562 O TRP A 41 -0.342 9.496 0.567 1.00 0.15 O ATOM 563 CB TRP A 41 1.807 10.198 2.577 1.00 0.10 C ATOM 564 CG TRP A 41 3.084 9.875 3.285 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.881 10.748 3.960 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.728 8.597 3.372 1.00 0.09 C ATOM 567 NE1 TRP A 41 4.957 10.091 4.490 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.889 8.771 4.141 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.433 7.323 2.888 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.751 7.722 4.436 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.289 6.285 3.179 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.437 6.488 3.952 1.00 0.12 C ATOM 0 H TRP A 41 2.816 12.000 1.109 1.00 0.10 H new ATOM 0 HA TRP A 41 2.275 9.133 0.765 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.487 11.201 2.858 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.030 9.511 2.911 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.691 11.806 4.062 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.692 10.517 5.055 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.547 7.153 2.294 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.640 7.880 5.029 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.070 5.296 2.804 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.086 5.652 4.169 1.00 0.12 H new ATOM 583 N ASP A 42 0.393 11.457 -0.240 1.00 0.11 N ATOM 584 CA ASP A 42 -0.859 11.776 -0.908 1.00 0.14 C ATOM 585 C ASP A 42 -0.885 11.128 -2.282 1.00 0.15 C ATOM 586 O ASP A 42 -0.235 11.590 -3.220 1.00 0.21 O ATOM 587 CB ASP A 42 -1.027 13.289 -1.017 1.00 0.21 C ATOM 588 CG ASP A 42 -2.246 13.688 -1.825 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.322 13.095 -1.608 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.132 14.589 -2.684 1.00 0.41 O1- ATOM 0 H ASP A 42 1.117 12.169 -0.340 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.691 11.384 -0.322 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.105 13.714 -0.016 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.136 13.717 -1.477 1.00 0.21 H new ATOM 595 N PHE A 43 -1.638 10.032 -2.366 1.00 0.11 N ATOM 596 CA PHE A 43 -1.731 9.232 -3.583 1.00 0.10 C ATOM 597 C PHE A 43 -2.174 10.082 -4.781 1.00 0.12 C ATOM 598 O PHE A 43 -1.424 10.262 -5.740 1.00 0.14 O ATOM 599 CB PHE A 43 -2.787 8.135 -3.438 1.00 0.09 C ATOM 600 CG PHE A 43 -2.533 7.061 -2.439 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.307 7.410 -1.125 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.516 5.729 -2.789 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.078 6.455 -0.174 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.280 4.761 -1.838 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.060 5.013 -0.651 1.00 0.06 C ATOM 0 H PHE A 43 -2.199 9.675 -1.593 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.737 8.814 -3.744 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.734 8.612 -3.185 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.918 7.664 -4.412 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.311 8.452 -0.843 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.689 5.442 -3.816 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.918 6.712 0.863 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.288 3.727 -2.148 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.856 4.213 0.045 1.00 0.06 H new ATOM 615 N ALA A 44 -3.407 10.605 -4.678 1.00 0.13 N ATOM 616 CA ALA A 44 -4.048 11.448 -5.705 1.00 0.16 C ATOM 617 C ALA A 44 -5.568 11.476 -5.495 1.00 0.18 C ATOM 618 O ALA A 44 -6.060 12.068 -4.538 1.00 0.24 O ATOM 619 CB ALA A 44 -3.758 10.971 -7.126 1.00 0.16 C ATOM 0 H ALA A 44 -4.000 10.451 -3.862 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.626 12.447 -5.592 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.255 11.629 -7.839 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.683 10.989 -7.304 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.129 9.954 -7.251 1.00 0.16 H new ATOM 625 N ASP A 45 -6.304 10.804 -6.388 1.00 0.17 N ATOM 626 CA ASP A 45 -7.765 10.731 -6.307 1.00 0.20 C ATOM 627 C ASP A 45 -8.258 9.348 -6.728 1.00 0.16 C ATOM 628 O ASP A 45 -8.171 8.986 -7.902 1.00 0.19 O ATOM 629 CB ASP A 45 -8.412 11.794 -7.195 1.00 0.26 C ATOM 630 CG ASP A 45 -8.228 13.206 -6.675 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.287 13.894 -7.124 1.00 1.82 O ATOM 632 OD2 ASP A 45 -9.018 13.635 -5.807 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.906 10.300 -7.180 1.00 0.17 H new ATOM 0 HA ASP A 45 -8.050 10.913 -5.271 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.989 11.726 -8.197 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.478 11.583 -7.284 1.00 0.26 H new ATOM 637 N GLY A 46 -8.757 8.576 -5.758 1.00 0.17 N ATOM 638 CA GLY A 46 -9.202 7.201 -6.014 1.00 0.16 C ATOM 639 C GLY A 46 -8.120 6.352 -6.640 1.00 0.12 C ATOM 640 O GLY A 46 -8.385 5.310 -7.226 1.00 0.16 O ATOM 0 H GLY A 46 -8.863 8.878 -4.790 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.521 6.745 -5.077 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.071 7.220 -6.672 1.00 0.16 H new ATOM 644 N VAL A 47 -6.898 6.804 -6.471 1.00 0.08 N ATOM 645 CA VAL A 47 -5.723 6.133 -6.977 1.00 0.06 C ATOM 646 C VAL A 47 -5.520 4.848 -6.210 1.00 0.05 C ATOM 647 O VAL A 47 -5.233 3.801 -6.773 1.00 0.06 O ATOM 648 CB VAL A 47 -4.513 7.066 -6.825 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.742 7.994 -5.665 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.225 6.280 -6.667 1.00 0.09 C ATOM 0 H VAL A 47 -6.689 7.666 -5.967 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.843 5.889 -8.033 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.406 7.660 -7.733 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.884 8.657 -5.555 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.639 8.587 -5.845 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.869 7.411 -4.753 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.388 6.970 -6.562 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.290 5.650 -5.780 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.071 5.654 -7.546 1.00 0.09 H new ATOM 660 N LEU A 48 -5.727 4.940 -4.918 1.00 0.06 N ATOM 661 CA LEU A 48 -5.642 3.801 -4.048 1.00 0.06 C ATOM 662 C LEU A 48 -6.799 2.875 -4.285 1.00 0.08 C ATOM 663 O LEU A 48 -6.642 1.667 -4.382 1.00 0.09 O ATOM 664 CB LEU A 48 -5.659 4.302 -2.630 1.00 0.08 C ATOM 665 CG LEU A 48 -5.689 3.225 -1.564 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.665 2.147 -1.881 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.445 3.845 -0.203 1.00 0.10 C ATOM 0 H LEU A 48 -5.960 5.812 -4.443 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.725 3.246 -4.243 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.778 4.923 -2.471 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.530 4.944 -2.499 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.671 2.753 -1.548 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.695 1.378 -1.109 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.895 1.699 -2.848 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.669 2.589 -1.914 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.467 3.067 0.560 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.471 4.333 -0.195 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.221 4.581 0.006 1.00 0.10 H new ATOM 679 N GLU A 49 -7.950 3.476 -4.423 1.00 0.09 N ATOM 680 CA GLU A 49 -9.187 2.757 -4.635 1.00 0.12 C ATOM 681 C GLU A 49 -9.139 2.018 -5.955 1.00 0.12 C ATOM 682 O GLU A 49 -9.904 1.099 -6.199 1.00 0.15 O ATOM 683 CB GLU A 49 -10.316 3.762 -4.623 1.00 0.17 C ATOM 684 CG GLU A 49 -10.612 4.304 -3.238 1.00 0.30 C ATOM 685 CD GLU A 49 -11.959 3.855 -2.720 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.973 4.125 -3.390 1.00 1.32 O ATOM 687 OE2 GLU A 49 -12.005 3.223 -1.647 1.00 1.49 O1- ATOM 0 H GLU A 49 -8.061 4.489 -4.392 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.341 2.018 -3.848 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -10.065 4.590 -5.285 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.215 3.295 -5.024 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -9.833 3.977 -2.549 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.580 5.393 -3.262 1.00 0.30 H new ATOM 694 N GLN A 50 -8.202 2.437 -6.779 1.00 0.10 N ATOM 695 CA GLN A 50 -7.929 1.824 -8.054 1.00 0.11 C ATOM 696 C GLN A 50 -7.156 0.565 -7.872 1.00 0.10 C ATOM 697 O GLN A 50 -7.538 -0.505 -8.330 1.00 0.12 O ATOM 698 CB GLN A 50 -7.081 2.756 -8.872 1.00 0.11 C ATOM 699 CG GLN A 50 -7.879 3.518 -9.897 1.00 0.14 C ATOM 700 CD GLN A 50 -7.958 2.775 -11.222 1.00 0.21 C ATOM 701 OE1 GLN A 50 -7.820 1.448 -11.188 1.00 0.37 O flip ATOM 702 NE2 GLN A 50 -8.106 3.390 -12.276 1.00 0.20 N flip ATOM 0 H GLN A 50 -7.597 3.232 -6.573 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.879 1.612 -8.545 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.580 3.462 -8.209 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.302 2.184 -9.376 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.886 3.691 -9.517 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.426 4.496 -10.056 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -8.209 4.405 -12.264 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -8.126 2.886 -13.162 1.00 0.20 H new ATOM 711 N ILE A 51 -6.047 0.739 -7.212 1.00 0.09 N ATOM 712 CA ILE A 51 -5.138 -0.330 -6.930 1.00 0.09 C ATOM 713 C ILE A 51 -5.844 -1.371 -6.105 1.00 0.11 C ATOM 714 O ILE A 51 -5.646 -2.566 -6.271 1.00 0.16 O ATOM 715 CB ILE A 51 -3.956 0.210 -6.142 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.437 1.469 -6.824 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.880 -0.850 -6.018 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.478 2.247 -5.973 1.00 0.06 C ATOM 0 H ILE A 51 -5.746 1.644 -6.850 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.787 -0.770 -7.864 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.268 0.471 -5.131 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.944 1.193 -7.756 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.281 2.107 -7.086 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -2.039 -0.450 -5.451 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.285 -1.720 -5.501 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.541 -1.143 -7.012 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.145 3.132 -6.516 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.974 2.552 -5.052 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.617 1.624 -5.732 1.00 0.06 H new ATOM 730 N LEU A 52 -6.690 -0.878 -5.230 1.00 0.09 N ATOM 731 CA LEU A 52 -7.504 -1.710 -4.380 1.00 0.10 C ATOM 732 C LEU A 52 -8.581 -2.398 -5.174 1.00 0.11 C ATOM 733 O LEU A 52 -8.831 -3.589 -5.002 1.00 0.13 O ATOM 734 CB LEU A 52 -8.123 -0.845 -3.311 1.00 0.10 C ATOM 735 CG LEU A 52 -7.148 -0.391 -2.257 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.780 0.687 -1.415 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.738 -1.575 -1.421 1.00 0.10 C ATOM 0 H LEU A 52 -6.832 0.122 -5.088 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.880 -2.480 -3.926 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.571 0.031 -3.780 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.931 -1.398 -2.832 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.255 0.027 -2.722 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.073 1.015 -0.653 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.049 1.533 -2.048 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.676 0.295 -0.934 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -6.032 -1.253 -0.656 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.618 -2.006 -0.944 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.267 -2.324 -2.057 1.00 0.10 H new ATOM 749 N ALA A 53 -9.203 -1.636 -6.056 1.00 0.12 N ATOM 750 CA ALA A 53 -10.217 -2.174 -6.949 1.00 0.14 C ATOM 751 C ALA A 53 -9.592 -3.283 -7.762 1.00 0.15 C ATOM 752 O ALA A 53 -10.192 -4.330 -8.012 1.00 0.18 O ATOM 753 CB ALA A 53 -10.760 -1.087 -7.857 1.00 0.16 C ATOM 0 H ALA A 53 -9.024 -0.639 -6.174 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.053 -2.565 -6.369 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.517 -1.509 -8.518 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.206 -0.297 -7.253 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.948 -0.673 -8.454 1.00 0.16 H new ATOM 759 N THR A 54 -8.355 -3.030 -8.136 1.00 0.15 N ATOM 760 CA THR A 54 -7.531 -3.991 -8.793 1.00 0.16 C ATOM 761 C THR A 54 -7.244 -5.167 -7.861 1.00 0.15 C ATOM 762 O THR A 54 -7.533 -6.298 -8.210 1.00 0.17 O ATOM 763 CB THR A 54 -6.233 -3.307 -9.265 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.467 -2.624 -10.506 1.00 0.24 O ATOM 765 CG2 THR A 54 -5.074 -4.292 -9.416 1.00 0.24 C ATOM 0 H THR A 54 -7.897 -2.131 -7.984 1.00 0.15 H new ATOM 0 HA THR A 54 -8.048 -4.388 -9.667 1.00 0.16 H new ATOM 0 HB THR A 54 -5.944 -2.590 -8.496 1.00 0.18 H new ATOM 0 HG1 THR A 54 -5.640 -2.189 -10.801 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.184 -3.758 -9.751 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.873 -4.767 -8.456 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.337 -5.054 -10.150 1.00 0.24 H new ATOM 773 N SER A 55 -6.733 -4.884 -6.659 1.00 0.13 N ATOM 774 CA SER A 55 -6.384 -5.915 -5.691 1.00 0.13 C ATOM 775 C SER A 55 -7.500 -6.952 -5.532 1.00 0.11 C ATOM 776 O SER A 55 -7.253 -8.153 -5.605 1.00 0.13 O ATOM 777 CB SER A 55 -6.084 -5.271 -4.346 1.00 0.18 C ATOM 778 OG SER A 55 -5.054 -4.315 -4.460 1.00 0.90 O ATOM 0 H SER A 55 -6.552 -3.934 -6.335 1.00 0.13 H new ATOM 0 HA SER A 55 -5.501 -6.435 -6.062 1.00 0.13 H new ATOM 0 HB2 SER A 55 -6.985 -4.795 -3.958 1.00 0.18 H new ATOM 0 HB3 SER A 55 -5.794 -6.038 -3.628 1.00 0.18 H new ATOM 0 HG SER A 55 -4.197 -4.772 -4.592 1.00 0.90 H new ATOM 784 N ARG A 56 -8.727 -6.483 -5.341 1.00 0.10 N ATOM 785 CA ARG A 56 -9.871 -7.371 -5.160 1.00 0.10 C ATOM 786 C ARG A 56 -10.146 -8.162 -6.436 1.00 0.12 C ATOM 787 O ARG A 56 -10.499 -9.337 -6.389 1.00 0.17 O ATOM 788 CB ARG A 56 -11.096 -6.548 -4.800 1.00 0.11 C ATOM 789 CG ARG A 56 -10.829 -5.491 -3.750 1.00 0.14 C ATOM 790 CD ARG A 56 -11.729 -4.294 -3.970 1.00 0.17 C ATOM 791 NE ARG A 56 -11.465 -3.202 -3.040 1.00 1.28 N ATOM 792 CZ ARG A 56 -11.869 -1.942 -3.229 1.00 1.63 C ATOM 793 NH1 ARG A 56 -12.545 -1.610 -4.325 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -11.605 -1.020 -2.312 1.00 2.73 N ATOM 0 H ARG A 56 -8.957 -5.490 -5.307 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.646 -8.073 -4.357 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.477 -6.066 -5.700 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.879 -7.216 -4.441 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -10.999 -5.905 -2.756 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.785 -5.182 -3.792 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.601 -3.933 -4.991 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -12.769 -4.605 -3.870 1.00 0.17 H new ATOM 0 HE ARG A 56 -10.939 -3.413 -2.192 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -12.758 -2.319 -5.027 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -12.851 -0.647 -4.464 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -11.095 -1.274 -1.466 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -11.912 -0.058 -2.453 1.00 2.73 H new ATOM 808 N SER A 57 -9.982 -7.497 -7.573 1.00 0.13 N ATOM 809 CA SER A 57 -10.148 -8.121 -8.876 1.00 0.17 C ATOM 810 C SER A 57 -9.091 -9.207 -9.087 1.00 0.18 C ATOM 811 O SER A 57 -9.373 -10.289 -9.603 1.00 0.22 O ATOM 812 CB SER A 57 -10.041 -7.054 -9.961 1.00 0.22 C ATOM 813 OG SER A 57 -10.169 -7.608 -11.255 1.00 0.55 O ATOM 0 H SER A 57 -9.730 -6.510 -7.616 1.00 0.13 H new ATOM 0 HA SER A 57 -11.130 -8.591 -8.929 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.815 -6.302 -9.809 1.00 0.22 H new ATOM 0 HB3 SER A 57 -9.081 -6.545 -9.877 1.00 0.22 H new ATOM 0 HG SER A 57 -10.097 -6.896 -11.924 1.00 0.55 H new ATOM 819 N ARG A 58 -7.877 -8.892 -8.664 1.00 0.18 N ATOM 820 CA ARG A 58 -6.736 -9.790 -8.763 1.00 0.21 C ATOM 821 C ARG A 58 -6.914 -10.996 -7.855 1.00 0.18 C ATOM 822 O ARG A 58 -6.427 -12.090 -8.133 1.00 0.22 O ATOM 823 CB ARG A 58 -5.502 -9.025 -8.333 1.00 0.24 C ATOM 824 CG ARG A 58 -5.308 -7.737 -9.094 1.00 0.27 C ATOM 825 CD ARG A 58 -4.311 -7.891 -10.221 1.00 0.37 C ATOM 826 NE ARG A 58 -4.490 -6.888 -11.270 1.00 1.25 N ATOM 827 CZ ARG A 58 -3.519 -6.481 -12.088 1.00 1.56 C ATOM 828 NH1 ARG A 58 -2.280 -6.944 -11.945 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -3.779 -5.596 -13.041 1.00 2.50 N ATOM 0 H ARG A 58 -7.653 -7.993 -8.236 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.643 -10.145 -9.789 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.572 -8.804 -7.268 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.624 -9.657 -8.470 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -6.265 -7.407 -9.499 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.966 -6.960 -8.411 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -3.300 -7.816 -9.820 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -4.409 -8.886 -10.654 1.00 0.37 H new ATOM 0 HE ARG A 58 -5.415 -6.474 -11.383 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -2.068 -7.615 -11.206 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -1.542 -6.628 -12.574 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -4.723 -5.225 -13.149 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -3.035 -5.286 -13.666 1.00 2.50 H new ATOM 843 N GLY A 59 -7.616 -10.765 -6.762 1.00 0.14 N ATOM 844 CA GLY A 59 -7.862 -11.811 -5.794 1.00 0.15 C ATOM 845 C GLY A 59 -7.031 -11.621 -4.547 1.00 0.18 C ATOM 846 O GLY A 59 -6.930 -12.514 -3.710 1.00 0.24 O ATOM 0 H GLY A 59 -8.025 -9.861 -6.524 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.919 -11.821 -5.529 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.635 -12.780 -6.239 1.00 0.15 H new ATOM 850 N TYR A 60 -6.446 -10.437 -4.424 1.00 0.16 N ATOM 851 CA TYR A 60 -5.630 -10.087 -3.275 1.00 0.17 C ATOM 852 C TYR A 60 -6.508 -9.924 -2.049 1.00 0.15 C ATOM 853 O TYR A 60 -6.214 -10.450 -0.974 1.00 0.18 O ATOM 854 CB TYR A 60 -4.892 -8.780 -3.555 1.00 0.16 C ATOM 855 CG TYR A 60 -3.698 -8.927 -4.469 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.703 -8.337 -5.713 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.570 -9.639 -4.091 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.633 -8.438 -6.564 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.482 -9.755 -4.938 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.519 -9.150 -6.176 1.00 0.28 C ATOM 861 OH TYR A 60 -0.441 -9.255 -7.026 1.00 0.35 O ATOM 0 H TYR A 60 -6.525 -9.694 -5.119 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.907 -10.882 -3.092 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.590 -8.070 -3.998 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.561 -8.353 -2.609 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.573 -7.780 -6.027 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.540 -10.111 -3.120 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.663 -7.962 -7.533 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.611 -10.315 -4.632 1.00 0.51 H new ATOM 0 HH TYR A 60 0.261 -9.789 -6.599 1.00 0.35 H new ATOM 871 N ILE A 61 -7.596 -9.192 -2.229 1.00 0.12 N ATOM 872 CA ILE A 61 -8.489 -8.857 -1.151 1.00 0.12 C ATOM 873 C ILE A 61 -9.931 -8.864 -1.596 1.00 0.11 C ATOM 874 O ILE A 61 -10.273 -9.265 -2.710 1.00 0.11 O ATOM 875 CB ILE A 61 -8.218 -7.442 -0.666 1.00 0.10 C ATOM 876 CG1 ILE A 61 -8.061 -6.537 -1.887 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.991 -7.400 0.236 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.278 -5.075 -1.603 1.00 0.11 C ATOM 0 H ILE A 61 -7.878 -8.816 -3.134 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.321 -9.601 -0.373 1.00 0.12 H new ATOM 0 HB ILE A 61 -9.054 -7.086 -0.064 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -7.061 -6.671 -2.299 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.767 -6.855 -2.654 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.819 -6.376 0.569 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.154 -8.041 1.102 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.120 -7.752 -0.317 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -8.148 -4.503 -2.522 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.288 -4.924 -1.221 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.555 -4.737 -0.860 1.00 0.11 H new ATOM 890 N THR A 62 -10.748 -8.384 -0.692 1.00 0.12 N ATOM 891 CA THR A 62 -12.136 -8.110 -0.935 1.00 0.12 C ATOM 892 C THR A 62 -12.485 -6.737 -0.365 1.00 0.13 C ATOM 893 O THR A 62 -11.974 -6.370 0.690 1.00 0.13 O ATOM 894 CB THR A 62 -13.012 -9.188 -0.285 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.180 -10.298 -1.174 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.353 -8.626 0.144 1.00 0.16 C ATOM 0 H THR A 62 -10.454 -8.168 0.260 1.00 0.12 H new ATOM 0 HA THR A 62 -12.322 -8.116 -2.009 1.00 0.12 H new ATOM 0 HB THR A 62 -12.504 -9.540 0.613 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.740 -10.979 -0.745 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.949 -9.416 0.601 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.197 -7.825 0.867 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.878 -8.233 -0.726 1.00 0.16 H new ATOM 904 N GLY A 63 -13.328 -5.993 -1.079 1.00 0.15 N ATOM 905 CA GLY A 63 -13.826 -4.705 -0.611 1.00 0.17 C ATOM 906 C GLY A 63 -12.782 -3.856 0.090 1.00 0.17 C ATOM 907 O GLY A 63 -11.681 -3.641 -0.423 1.00 0.24 O ATOM 0 H GLY A 63 -13.683 -6.267 -1.995 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.220 -4.149 -1.462 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.659 -4.875 0.072 1.00 0.17 H new ATOM 911 N ASP A 64 -13.126 -3.397 1.279 1.00 0.14 N ATOM 912 CA ASP A 64 -12.210 -2.627 2.096 1.00 0.14 C ATOM 913 C ASP A 64 -11.618 -3.510 3.180 1.00 0.11 C ATOM 914 O ASP A 64 -11.115 -3.026 4.187 1.00 0.13 O ATOM 915 CB ASP A 64 -12.905 -1.436 2.743 1.00 0.19 C ATOM 916 CG ASP A 64 -13.342 -0.376 1.754 1.00 1.30 C ATOM 917 OD1 ASP A 64 -12.615 0.628 1.589 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.398 -0.552 1.113 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.042 -3.547 1.702 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.420 -2.252 1.446 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -13.778 -1.790 3.292 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -12.231 -0.985 3.472 1.00 0.19 H new ATOM 923 N GLN A 65 -11.696 -4.812 2.963 1.00 0.10 N ATOM 924 CA GLN A 65 -11.133 -5.804 3.859 1.00 0.10 C ATOM 925 C GLN A 65 -9.637 -5.930 3.637 1.00 0.08 C ATOM 926 O GLN A 65 -9.087 -7.017 3.671 1.00 0.09 O ATOM 927 CB GLN A 65 -11.797 -7.155 3.673 1.00 0.11 C ATOM 928 CG GLN A 65 -13.264 -7.060 3.321 1.00 0.16 C ATOM 929 CD GLN A 65 -14.172 -7.056 4.514 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.575 -8.105 5.013 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.533 -5.871 4.950 1.00 0.34 N ATOM 0 H GLN A 65 -12.159 -5.214 2.148 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.317 -5.470 4.880 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.277 -7.702 2.886 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.688 -7.734 4.590 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.432 -6.150 2.745 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.529 -7.899 2.677 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -14.170 -5.030 4.501 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.176 -5.792 5.738 1.00 0.34 H new ATOM 940 N TYR A 66 -9.008 -4.835 3.313 1.00 0.07 N ATOM 941 CA TYR A 66 -7.582 -4.825 3.075 1.00 0.06 C ATOM 942 C TYR A 66 -6.894 -4.091 4.196 1.00 0.05 C ATOM 943 O TYR A 66 -7.533 -3.376 4.955 1.00 0.05 O ATOM 944 CB TYR A 66 -7.258 -4.125 1.771 1.00 0.07 C ATOM 945 CG TYR A 66 -7.647 -2.669 1.764 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.702 -1.682 2.005 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.955 -2.282 1.526 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.052 -0.351 2.003 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.314 -0.951 1.528 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.361 0.005 1.768 1.00 0.09 C ATOM 951 OH TYR A 66 -8.713 1.325 1.751 1.00 0.11 O ATOM 0 H TYR A 66 -9.461 -3.927 3.206 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.236 -5.857 3.022 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.189 -4.209 1.577 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.771 -4.635 0.956 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.677 -1.962 2.197 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.706 -3.035 1.336 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.306 0.408 2.184 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.338 -0.663 1.342 1.00 0.09 H new ATOM 0 HH TYR A 66 -9.396 1.490 2.434 1.00 0.11 H new ATOM 961 N ILE A 67 -5.597 -4.243 4.286 1.00 0.05 N ATOM 962 CA ILE A 67 -4.837 -3.511 5.259 1.00 0.05 C ATOM 963 C ILE A 67 -3.689 -2.806 4.590 1.00 0.05 C ATOM 964 O ILE A 67 -2.684 -3.397 4.253 1.00 0.06 O ATOM 965 CB ILE A 67 -4.296 -4.425 6.372 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.441 -5.022 7.172 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.337 -3.662 7.267 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.002 -6.062 8.165 1.00 0.07 C ATOM 0 H ILE A 67 -5.048 -4.868 3.696 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.507 -2.783 5.716 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.744 -5.246 5.914 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -5.960 -4.222 7.701 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.160 -5.468 6.485 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.964 -4.324 8.049 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.500 -3.294 6.673 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.857 -2.819 7.723 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.871 -6.444 8.700 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.510 -6.881 7.641 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.306 -5.616 8.876 1.00 0.07 H new ATOM 980 N LEU A 68 -3.846 -1.542 4.387 1.00 0.05 N ATOM 981 CA LEU A 68 -2.817 -0.767 3.751 1.00 0.06 C ATOM 982 C LEU A 68 -1.992 -0.063 4.827 1.00 0.07 C ATOM 983 O LEU A 68 -2.510 0.245 5.903 1.00 0.11 O ATOM 984 CB LEU A 68 -3.474 0.216 2.809 1.00 0.06 C ATOM 985 CG LEU A 68 -2.557 1.216 2.138 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.964 0.636 0.871 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.316 2.494 1.862 1.00 0.10 C ATOM 0 H LEU A 68 -4.678 -1.015 4.651 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.142 -1.398 3.173 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.992 -0.348 2.033 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.233 0.767 3.364 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.727 1.446 2.806 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.309 1.372 0.406 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.390 -0.258 1.114 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.766 0.376 0.180 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.654 3.213 1.379 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.161 2.281 1.207 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.681 2.911 2.801 1.00 0.10 H new ATOM 999 N GLU A 69 -0.715 0.162 4.560 1.00 0.07 N ATOM 1000 CA GLU A 69 0.178 0.776 5.544 1.00 0.08 C ATOM 1001 C GLU A 69 1.203 1.667 4.879 1.00 0.08 C ATOM 1002 O GLU A 69 1.657 1.390 3.769 1.00 0.09 O ATOM 1003 CB GLU A 69 0.905 -0.300 6.350 1.00 0.11 C ATOM 1004 CG GLU A 69 0.057 -0.947 7.430 1.00 0.17 C ATOM 1005 CD GLU A 69 -0.054 -0.096 8.674 1.00 0.42 C ATOM 1006 OE1 GLU A 69 0.964 0.098 9.369 1.00 0.93 O ATOM 1007 OE2 GLU A 69 -1.164 0.391 8.965 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.269 -0.069 3.672 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.439 1.382 6.207 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.257 -1.074 5.668 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.787 0.142 6.813 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.941 -1.139 7.036 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.487 -1.913 7.693 1.00 0.17 H new ATOM 1014 N ARG A 70 1.553 2.747 5.564 1.00 0.10 N ATOM 1015 CA ARG A 70 2.617 3.624 5.109 1.00 0.10 C ATOM 1016 C ARG A 70 3.964 2.984 5.350 1.00 0.09 C ATOM 1017 O ARG A 70 4.222 2.433 6.422 1.00 0.10 O ATOM 1018 CB ARG A 70 2.562 4.972 5.818 1.00 0.14 C ATOM 1019 CG ARG A 70 1.191 5.607 5.797 1.00 0.40 C ATOM 1020 CD ARG A 70 0.409 5.336 7.074 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.728 6.244 7.221 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.546 6.248 8.274 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.371 5.379 9.264 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.544 7.123 8.331 1.00 1.74 N ATOM 0 H ARG A 70 1.113 3.035 6.438 1.00 0.10 H new ATOM 0 HA ARG A 70 2.477 3.787 4.040 1.00 0.10 H new ATOM 0 HB2 ARG A 70 2.878 4.843 6.853 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.275 5.650 5.349 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.294 6.683 5.658 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.630 5.227 4.943 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.053 4.306 7.070 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.071 5.441 7.934 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.906 6.914 6.473 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.608 4.704 9.221 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -2.000 5.387 10.067 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.683 7.789 7.571 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -3.172 7.129 9.135 1.00 1.74 H new ATOM 1038 N VAL A 71 4.819 3.069 4.350 1.00 0.07 N ATOM 1039 CA VAL A 71 6.074 2.357 4.368 1.00 0.07 C ATOM 1040 C VAL A 71 7.257 3.267 4.111 1.00 0.07 C ATOM 1041 O VAL A 71 8.076 3.461 4.994 1.00 0.08 O ATOM 1042 CB VAL A 71 6.057 1.250 3.315 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.324 0.423 3.367 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.828 0.381 3.490 1.00 0.11 C ATOM 0 H VAL A 71 4.663 3.629 3.512 1.00 0.07 H new ATOM 0 HA VAL A 71 6.188 1.934 5.366 1.00 0.07 H new ATOM 0 HB VAL A 71 6.014 1.714 2.330 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.281 -0.356 2.606 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.185 1.065 3.182 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.419 -0.036 4.351 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.827 -0.404 2.734 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.840 -0.070 4.482 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.932 0.992 3.380 1.00 0.11 H new ATOM 1054 N ASN A 72 7.350 3.828 2.914 1.00 0.06 N ATOM 1055 CA ASN A 72 8.563 4.536 2.522 1.00 0.07 C ATOM 1056 C ASN A 72 8.263 5.751 1.673 1.00 0.07 C ATOM 1057 O ASN A 72 7.196 5.852 1.077 1.00 0.08 O ATOM 1058 CB ASN A 72 9.452 3.585 1.748 1.00 0.10 C ATOM 1059 CG ASN A 72 10.870 4.075 1.522 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.134 4.873 0.633 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.799 3.551 2.298 1.00 0.14 N ATOM 0 H ASN A 72 6.615 3.809 2.207 1.00 0.06 H new ATOM 0 HA ASN A 72 9.062 4.885 3.426 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.492 2.635 2.280 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.992 3.389 0.779 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.777 3.808 2.167 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.539 2.889 3.029 1.00 0.14 H new ATOM 1068 N ILE A 73 9.212 6.667 1.623 1.00 0.08 N ATOM 1069 CA ILE A 73 9.123 7.788 0.695 1.00 0.08 C ATOM 1070 C ILE A 73 10.318 7.775 -0.251 1.00 0.09 C ATOM 1071 O ILE A 73 11.445 8.072 0.141 1.00 0.11 O ATOM 1072 CB ILE A 73 9.032 9.171 1.388 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.709 9.346 2.134 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.168 10.271 0.351 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.619 10.651 2.905 1.00 0.10 C ATOM 0 H ILE A 73 10.048 6.661 2.207 1.00 0.08 H new ATOM 0 HA ILE A 73 8.191 7.652 0.146 1.00 0.08 H new ATOM 0 HB ILE A 73 9.843 9.231 2.114 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.888 9.298 1.419 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.578 8.514 2.826 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.104 11.243 0.841 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.131 10.181 -0.151 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.367 10.181 -0.382 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.655 10.709 3.410 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.419 10.693 3.644 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.718 11.489 2.215 1.00 0.10 H new ATOM 1087 N VAL A 74 10.059 7.410 -1.496 1.00 0.10 N ATOM 1088 CA VAL A 74 11.099 7.381 -2.520 1.00 0.13 C ATOM 1089 C VAL A 74 10.846 8.488 -3.521 1.00 0.15 C ATOM 1090 O VAL A 74 9.890 8.411 -4.289 1.00 0.15 O ATOM 1091 CB VAL A 74 11.138 6.035 -3.278 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.171 6.073 -4.396 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.425 4.885 -2.333 1.00 0.24 C ATOM 0 H VAL A 74 9.136 7.128 -1.826 1.00 0.10 H new ATOM 0 HA VAL A 74 12.056 7.515 -2.016 1.00 0.13 H new ATOM 0 HB VAL A 74 10.155 5.875 -3.721 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.180 5.115 -4.915 1.00 0.18 H new ATOM 0 HG12 VAL A 74 11.916 6.865 -5.100 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.157 6.267 -3.974 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.447 3.950 -2.893 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.390 5.042 -1.852 1.00 0.24 H new ATOM 0 HG23 VAL A 74 10.645 4.835 -1.574 1.00 0.24 H new ATOM 1103 N ASN A 75 11.670 9.532 -3.484 1.00 0.20 N ATOM 1104 CA ASN A 75 11.515 10.683 -4.381 1.00 0.25 C ATOM 1105 C ASN A 75 10.218 11.439 -4.058 1.00 0.20 C ATOM 1106 O ASN A 75 9.858 12.421 -4.706 1.00 0.25 O ATOM 1107 CB ASN A 75 11.519 10.161 -5.837 1.00 0.29 C ATOM 1108 CG ASN A 75 10.824 11.058 -6.842 1.00 0.33 C ATOM 1109 OD1 ASN A 75 9.499 10.972 -6.894 1.00 0.39 O flip ATOM 1110 ND2 ASN A 75 11.462 11.841 -7.545 1.00 0.31 N flip ATOM 0 H ASN A 75 12.457 9.608 -2.840 1.00 0.20 H new ATOM 0 HA ASN A 75 12.337 11.386 -4.247 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.552 10.019 -6.153 1.00 0.29 H new ATOM 0 HB3 ASN A 75 11.042 9.181 -5.857 1.00 0.29 H new ATOM 0 HD21 ASN A 75 12.479 11.877 -7.475 1.00 0.31 H new ATOM 0 HD22 ASN A 75 10.974 12.454 -8.197 1.00 0.31 H new ATOM 1117 N GLY A 76 9.582 11.057 -2.971 1.00 0.13 N ATOM 1118 CA GLY A 76 8.269 11.582 -2.679 1.00 0.10 C ATOM 1119 C GLY A 76 7.163 10.738 -3.290 1.00 0.09 C ATOM 1120 O GLY A 76 6.026 11.175 -3.376 1.00 0.11 O ATOM 0 H GLY A 76 9.947 10.395 -2.286 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.131 11.631 -1.599 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.196 12.602 -3.056 1.00 0.10 H new ATOM 1124 N ASN A 77 7.499 9.519 -3.703 1.00 0.09 N ATOM 1125 CA ASN A 77 6.534 8.604 -4.314 1.00 0.10 C ATOM 1126 C ASN A 77 5.926 7.676 -3.276 1.00 0.09 C ATOM 1127 O ASN A 77 5.704 6.507 -3.564 1.00 0.10 O ATOM 1128 CB ASN A 77 7.178 7.770 -5.421 1.00 0.14 C ATOM 1129 CG ASN A 77 7.379 8.545 -6.708 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.677 9.517 -6.981 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.328 8.106 -7.518 1.00 0.36 N ATOM 0 H ASN A 77 8.442 9.137 -3.625 1.00 0.09 H new ATOM 0 HA ASN A 77 5.746 9.219 -4.750 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.142 7.398 -5.074 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.554 6.899 -5.622 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.499 8.578 -8.406 1.00 0.36 H new ATOM 0 HD22 ASN A 77 8.889 7.296 -7.255 1.00 0.36 H new ATOM 1138 N GLY A 78 5.680 8.225 -2.081 1.00 0.07 N ATOM 1139 CA GLY A 78 5.296 7.452 -0.889 1.00 0.07 C ATOM 1140 C GLY A 78 4.690 6.092 -1.169 1.00 0.06 C ATOM 1141 O GLY A 78 3.616 5.976 -1.760 1.00 0.08 O ATOM 0 H GLY A 78 5.742 9.229 -1.910 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.178 7.317 -0.264 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.582 8.038 -0.310 1.00 0.07 H new ATOM 1145 N TYR A 79 5.389 5.070 -0.721 1.00 0.06 N ATOM 1146 CA TYR A 79 5.010 3.695 -0.986 1.00 0.05 C ATOM 1147 C TYR A 79 4.173 3.139 0.139 1.00 0.06 C ATOM 1148 O TYR A 79 4.443 3.370 1.323 1.00 0.06 O ATOM 1149 CB TYR A 79 6.245 2.824 -1.209 1.00 0.06 C ATOM 1150 CG TYR A 79 6.904 3.060 -2.549 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.953 2.059 -3.509 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.465 4.291 -2.862 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.536 2.271 -4.727 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.052 4.519 -4.085 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.088 3.506 -5.020 1.00 0.15 C ATOM 1156 OH TYR A 79 8.675 3.725 -6.247 1.00 0.19 O ATOM 0 H TYR A 79 6.237 5.168 -0.162 1.00 0.06 H new ATOM 0 HA TYR A 79 4.411 3.684 -1.897 1.00 0.05 H new ATOM 0 HB2 TYR A 79 6.967 3.019 -0.416 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.961 1.775 -1.130 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.522 1.093 -3.289 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.440 5.085 -2.131 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.566 1.477 -5.459 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.481 5.484 -4.311 1.00 0.15 H new ATOM 0 HH TYR A 79 9.011 4.644 -6.289 1.00 0.19 H new ATOM 1166 N TYR A 80 3.154 2.412 -0.254 1.00 0.07 N ATOM 1167 CA TYR A 80 2.211 1.830 0.665 1.00 0.07 C ATOM 1168 C TYR A 80 2.147 0.338 0.456 1.00 0.09 C ATOM 1169 O TYR A 80 2.135 -0.130 -0.676 1.00 0.13 O ATOM 1170 CB TYR A 80 0.833 2.434 0.436 1.00 0.07 C ATOM 1171 CG TYR A 80 0.677 3.829 0.978 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.176 4.932 0.294 1.00 0.09 C ATOM 1173 CD2 TYR A 80 0.017 4.038 2.177 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.020 6.205 0.798 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.141 5.308 2.683 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.361 6.385 1.993 1.00 0.11 C ATOM 1177 OH TYR A 80 0.192 7.648 2.497 1.00 0.16 O ATOM 0 H TYR A 80 2.956 2.207 -1.233 1.00 0.07 H new ATOM 0 HA TYR A 80 2.533 2.037 1.685 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.626 2.446 -0.634 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.084 1.790 0.898 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.692 4.789 -0.644 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.379 3.194 2.722 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.412 7.055 0.259 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.658 5.458 3.619 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.059 8.258 1.773 1.00 0.16 H new ATOM 1187 N ASN A 81 2.099 -0.412 1.530 1.00 0.10 N ATOM 1188 CA ASN A 81 1.942 -1.849 1.400 1.00 0.14 C ATOM 1189 C ASN A 81 0.490 -2.191 1.539 1.00 0.08 C ATOM 1190 O ASN A 81 -0.220 -1.618 2.361 1.00 0.11 O ATOM 1191 CB ASN A 81 2.726 -2.647 2.448 1.00 0.32 C ATOM 1192 CG ASN A 81 4.221 -2.522 2.322 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.748 -2.274 1.248 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.923 -2.720 3.424 1.00 0.33 N ATOM 0 H ASN A 81 2.164 -0.066 2.487 1.00 0.10 H new ATOM 0 HA ASN A 81 2.337 -2.122 0.421 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.427 -2.314 3.442 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.452 -3.699 2.368 1.00 0.32 H new ATOM 0 HD21 ASN A 81 5.941 -2.668 3.396 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.447 -2.925 4.302 1.00 0.33 H new ATOM 1201 N LEU A 82 0.057 -3.123 0.737 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.289 -3.608 0.814 1.00 0.06 C ATOM 1203 C LEU A 82 -1.250 -4.974 1.451 1.00 0.06 C ATOM 1204 O LEU A 82 -0.498 -5.852 1.030 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.894 -3.687 -0.578 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.365 -3.263 -0.698 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.155 -4.291 -1.490 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.994 -3.053 0.671 1.00 0.08 C ATOM 0 H LEU A 82 0.626 -3.565 0.015 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.906 -2.934 1.409 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.301 -3.063 -1.246 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.802 -4.713 -0.935 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.394 -2.313 -1.231 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.195 -3.973 -1.564 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.732 -4.383 -2.490 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.106 -5.256 -0.985 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -5.035 -2.754 0.551 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -3.947 -3.982 1.239 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.451 -2.273 1.205 1.00 0.08 H new ATOM 1220 N TYR A 83 -2.013 -5.115 2.493 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.046 -6.325 3.269 1.00 0.06 C ATOM 1222 C TYR A 83 -3.431 -6.915 3.261 1.00 0.06 C ATOM 1223 O TYR A 83 -4.417 -6.241 2.967 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.631 -6.020 4.707 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.194 -5.604 4.843 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.821 -6.515 4.654 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.146 -4.294 5.160 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.138 -6.145 4.778 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.465 -3.916 5.285 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.457 -4.847 5.095 1.00 0.16 C ATOM 1231 OH TYR A 83 3.778 -4.486 5.225 1.00 0.19 O ATOM 0 H TYR A 83 -2.639 -4.386 2.835 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.354 -7.044 2.830 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.269 -5.228 5.100 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.805 -6.903 5.322 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.578 -7.537 4.404 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.634 -3.563 5.310 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.921 -6.873 4.627 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.717 -2.895 5.531 1.00 0.15 H new ATOM 0 HH TYR A 83 4.348 -5.197 4.864 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.481 -8.187 3.554 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.723 -8.878 3.769 1.00 0.08 C ATOM 1243 C LYS A 84 -5.246 -8.519 5.150 1.00 0.08 C ATOM 1244 O LYS A 84 -4.489 -7.987 5.953 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.466 -10.376 3.662 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.104 -10.820 2.271 1.00 0.10 C ATOM 1247 CD LYS A 84 -3.870 -12.298 2.214 1.00 0.11 C ATOM 1248 CE LYS A 84 -3.617 -12.717 0.799 1.00 0.17 C ATOM 1249 NZ LYS A 84 -2.197 -12.563 0.392 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.654 -8.777 3.651 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.466 -8.591 3.025 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.661 -10.649 4.344 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.356 -10.914 3.988 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -4.904 -10.550 1.581 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.207 -10.295 1.941 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.018 -12.565 2.840 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.736 -12.828 2.611 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -3.913 -13.759 0.676 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -4.246 -12.126 0.133 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -2.139 -12.484 -0.643 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -1.802 -11.705 0.827 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -1.654 -13.392 0.707 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.522 -8.800 5.457 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.070 -8.574 6.798 1.00 0.09 C ATOM 1265 C PRO A 85 -6.291 -9.339 7.850 1.00 0.10 C ATOM 1266 O PRO A 85 -6.366 -9.052 9.044 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.487 -9.126 6.742 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.816 -9.316 5.300 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.521 -9.328 4.524 1.00 0.10 C ATOM 0 HA PRO A 85 -7.025 -7.518 7.064 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.556 -10.070 7.282 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.189 -8.438 7.212 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.357 -10.250 5.153 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.464 -8.513 4.948 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.264 -10.336 4.198 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.591 -8.711 3.628 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.544 -10.316 7.381 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.741 -11.150 8.245 1.00 0.13 C ATOM 1279 C ASP A 86 -3.368 -10.532 8.418 1.00 0.11 C ATOM 1280 O ASP A 86 -2.556 -11.000 9.205 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.616 -12.536 7.644 1.00 0.20 C ATOM 1282 CG ASP A 86 -3.938 -13.535 8.561 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -2.736 -13.814 8.361 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -4.611 -14.063 9.470 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.477 -10.553 6.391 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.220 -11.228 9.221 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -5.610 -12.904 7.391 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.053 -12.470 6.713 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.135 -9.457 7.679 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.861 -8.779 7.711 1.00 0.10 C ATOM 1291 C GLY A 87 -0.912 -9.317 6.660 1.00 0.10 C ATOM 1292 O GLY A 87 0.204 -8.836 6.514 1.00 0.11 O ATOM 0 H GLY A 87 -3.820 -9.039 7.049 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.013 -7.712 7.551 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.413 -8.893 8.698 1.00 0.10 H new ATOM 1296 N THR A 88 -1.362 -10.301 5.901 1.00 0.10 N ATOM 1297 CA THR A 88 -0.515 -10.923 4.908 1.00 0.10 C ATOM 1298 C THR A 88 -0.203 -9.962 3.763 1.00 0.08 C ATOM 1299 O THR A 88 -1.109 -9.468 3.091 1.00 0.09 O ATOM 1300 CB THR A 88 -1.182 -12.192 4.368 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.091 -13.244 5.335 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.551 -12.623 3.059 1.00 0.13 C ATOM 0 H THR A 88 -2.306 -10.683 5.956 1.00 0.10 H new ATOM 0 HA THR A 88 0.427 -11.190 5.387 1.00 0.10 H new ATOM 0 HB THR A 88 -2.233 -11.973 4.179 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.521 -14.051 4.982 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.043 -13.526 2.698 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.664 -11.828 2.322 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.509 -12.825 3.215 1.00 0.13 H new ATOM 1310 N TYR A 89 1.086 -9.684 3.584 1.00 0.08 N ATOM 1311 CA TYR A 89 1.566 -8.839 2.492 1.00 0.08 C ATOM 1312 C TYR A 89 1.046 -9.286 1.137 1.00 0.08 C ATOM 1313 O TYR A 89 1.061 -10.468 0.791 1.00 0.11 O ATOM 1314 CB TYR A 89 3.093 -8.846 2.504 1.00 0.09 C ATOM 1315 CG TYR A 89 3.737 -8.060 1.385 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.119 -8.674 0.194 1.00 0.11 C ATOM 1317 CD2 TYR A 89 3.952 -6.693 1.518 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.696 -7.941 -0.826 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.527 -5.959 0.503 1.00 0.15 C ATOM 1320 CZ TYR A 89 4.944 -6.644 -0.679 1.00 0.16 C ATOM 1321 OH TYR A 89 5.464 -5.848 -1.677 1.00 0.20 O ATOM 0 H TYR A 89 1.826 -10.037 4.190 1.00 0.08 H new ATOM 0 HA TYR A 89 1.187 -7.829 2.650 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.437 -8.444 3.457 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.438 -9.878 2.450 1.00 0.09 H new ATOM 0 HD1 TYR A 89 3.962 -9.735 0.066 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.663 -6.197 2.433 1.00 0.12 H new ATOM 0 HE1 TYR A 89 4.949 -8.429 -1.755 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.659 -4.891 0.599 1.00 0.15 H new ATOM 0 HH TYR A 89 5.562 -4.931 -1.346 1.00 0.20 H new ATOM 1331 N LEU A 90 0.566 -8.308 0.399 1.00 0.07 N ATOM 1332 CA LEU A 90 0.095 -8.492 -0.956 1.00 0.07 C ATOM 1333 C LEU A 90 1.065 -7.836 -1.938 1.00 0.06 C ATOM 1334 O LEU A 90 1.609 -8.499 -2.822 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.289 -7.869 -1.057 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.345 -8.527 -0.167 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.546 -7.619 -0.027 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.760 -9.872 -0.737 1.00 0.12 C ATOM 0 H LEU A 90 0.491 -7.346 0.730 1.00 0.07 H new ATOM 0 HA LEU A 90 0.040 -9.552 -1.206 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.219 -6.813 -0.796 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.622 -7.920 -2.094 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.914 -8.693 0.820 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.291 -8.097 0.608 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.238 -6.675 0.422 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.976 -7.430 -1.011 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.512 -10.325 -0.090 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.176 -9.732 -1.734 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.890 -10.526 -0.796 1.00 0.12 H new ATOM 1350 N PHE A 91 1.288 -6.533 -1.760 1.00 0.06 N ATOM 1351 CA PHE A 91 2.263 -5.788 -2.569 1.00 0.06 C ATOM 1352 C PHE A 91 2.597 -4.439 -1.958 1.00 0.05 C ATOM 1353 O PHE A 91 2.010 -4.025 -0.958 1.00 0.07 O ATOM 1354 CB PHE A 91 1.781 -5.552 -4.005 1.00 0.07 C ATOM 1355 CG PHE A 91 0.395 -4.996 -4.139 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.663 -5.831 -4.443 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.151 -3.635 -3.984 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.935 -5.328 -4.587 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.117 -3.132 -4.124 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.163 -3.977 -4.428 1.00 0.13 C ATOM 0 H PHE A 91 0.806 -5.967 -1.061 1.00 0.06 H new ATOM 0 HA PHE A 91 3.153 -6.417 -2.588 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.476 -4.870 -4.495 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.828 -6.498 -4.545 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.489 -6.890 -4.569 1.00 0.12 H new ATOM 0 HD2 PHE A 91 0.968 -2.968 -3.751 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.754 -5.990 -4.824 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.296 -2.075 -3.996 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.161 -3.581 -4.542 1.00 0.13 H new ATOM 1370 N THR A 92 3.557 -3.775 -2.582 1.00 0.05 N ATOM 1371 CA THR A 92 3.909 -2.408 -2.262 1.00 0.05 C ATOM 1372 C THR A 92 3.531 -1.524 -3.429 1.00 0.05 C ATOM 1373 O THR A 92 3.976 -1.741 -4.548 1.00 0.09 O ATOM 1374 CB THR A 92 5.410 -2.241 -1.995 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.825 -3.061 -0.898 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.730 -0.782 -1.720 1.00 0.09 C ATOM 0 H THR A 92 4.118 -4.178 -3.333 1.00 0.05 H new ATOM 0 HA THR A 92 3.371 -2.130 -1.355 1.00 0.05 H new ATOM 0 HB THR A 92 5.958 -2.560 -2.882 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.692 -2.575 -0.058 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.798 -0.673 -1.531 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.451 -0.179 -2.584 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.171 -0.445 -0.847 1.00 0.09 H new ATOM 1384 N LEU A 93 2.710 -0.545 -3.175 1.00 0.05 N ATOM 1385 CA LEU A 93 2.238 0.319 -4.219 1.00 0.05 C ATOM 1386 C LEU A 93 2.819 1.708 -4.068 1.00 0.06 C ATOM 1387 O LEU A 93 3.354 2.072 -3.022 1.00 0.06 O ATOM 1388 CB LEU A 93 0.724 0.362 -4.191 1.00 0.05 C ATOM 1389 CG LEU A 93 0.138 1.138 -3.026 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.240 2.560 -3.445 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.052 0.387 -2.474 1.00 0.06 C ATOM 0 H LEU A 93 2.351 -0.324 -2.246 1.00 0.05 H new ATOM 0 HA LEU A 93 2.564 -0.073 -5.182 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.368 0.805 -5.121 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.345 -0.659 -4.158 1.00 0.05 H new ATOM 0 HG LEU A 93 0.890 1.229 -2.242 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.657 3.092 -2.590 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.648 3.083 -3.800 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.981 2.519 -4.244 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.476 0.942 -1.637 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.805 0.275 -3.254 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.734 -0.598 -2.133 1.00 0.06 H new ATOM 1403 N ASN A 94 2.693 2.465 -5.126 1.00 0.06 N ATOM 1404 CA ASN A 94 3.117 3.844 -5.163 1.00 0.08 C ATOM 1405 C ASN A 94 1.872 4.690 -5.090 1.00 0.09 C ATOM 1406 O ASN A 94 0.956 4.494 -5.870 1.00 0.15 O ATOM 1407 CB ASN A 94 3.842 4.115 -6.480 1.00 0.09 C ATOM 1408 CG ASN A 94 4.535 5.463 -6.540 1.00 0.19 C ATOM 1409 OD1 ASN A 94 4.077 6.446 -5.963 1.00 1.15 O ATOM 1410 ND2 ASN A 94 5.647 5.515 -7.258 1.00 0.87 N ATOM 0 H ASN A 94 2.286 2.137 -6.002 1.00 0.06 H new ATOM 0 HA ASN A 94 3.792 4.071 -4.338 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.581 3.331 -6.643 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.124 4.051 -7.297 1.00 0.09 H new ATOM 0 HD21 ASN A 94 6.156 6.394 -7.347 1.00 0.87 H new ATOM 0 HD22 ASN A 94 5.994 4.676 -7.722 1.00 0.87 H new ATOM 1417 N CYS A 95 1.814 5.602 -4.153 1.00 0.07 N ATOM 1418 CA CYS A 95 0.642 6.426 -4.004 1.00 0.07 C ATOM 1419 C CYS A 95 0.626 7.474 -5.101 1.00 0.08 C ATOM 1420 O CYS A 95 -0.403 7.737 -5.712 1.00 0.10 O ATOM 1421 CB CYS A 95 0.653 7.091 -2.634 1.00 0.09 C ATOM 1422 SG CYS A 95 1.914 8.359 -2.428 1.00 0.18 S ATOM 0 H CYS A 95 2.561 5.792 -3.485 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.255 5.812 -4.085 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.325 7.537 -2.453 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.800 6.324 -1.873 1.00 0.09 H new ATOM 0 HG CYS A 95 3.068 7.795 -2.229 1.00 0.18 H new ATOM 1428 N LYS A 96 1.804 8.006 -5.390 1.00 0.09 N ATOM 1429 CA LYS A 96 1.941 9.139 -6.277 1.00 0.10 C ATOM 1430 C LYS A 96 1.674 8.753 -7.714 1.00 0.11 C ATOM 1431 O LYS A 96 1.255 9.581 -8.526 1.00 0.17 O ATOM 1432 CB LYS A 96 3.330 9.734 -6.118 1.00 0.10 C ATOM 1433 CG LYS A 96 3.459 10.539 -4.864 1.00 0.11 C ATOM 1434 CD LYS A 96 2.877 11.918 -5.024 1.00 0.18 C ATOM 1435 CE LYS A 96 3.621 12.873 -4.135 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.180 14.275 -4.325 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.687 7.661 -5.014 1.00 0.09 H new ATOM 0 HA LYS A 96 1.197 9.889 -6.008 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.068 8.932 -6.111 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.554 10.365 -6.978 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.954 10.023 -4.047 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.511 10.618 -4.589 1.00 0.11 H new ATOM 0 HD2 LYS A 96 2.949 12.238 -6.063 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.818 11.911 -4.766 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.475 12.586 -3.094 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.689 12.799 -4.339 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.720 14.898 -3.691 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.343 14.559 -5.312 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.166 14.353 -4.105 1.00 0.31 H new ATOM 1450 N THR A 97 1.900 7.495 -8.025 1.00 0.11 N ATOM 1451 CA THR A 97 1.687 7.014 -9.367 1.00 0.11 C ATOM 1452 C THR A 97 0.558 5.994 -9.402 1.00 0.11 C ATOM 1453 O THR A 97 -0.052 5.757 -10.448 1.00 0.12 O ATOM 1454 CB THR A 97 2.977 6.398 -9.921 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.201 5.107 -9.341 1.00 0.11 O ATOM 1456 CG2 THR A 97 4.154 7.303 -9.592 1.00 0.15 C ATOM 0 H THR A 97 2.231 6.790 -7.366 1.00 0.11 H new ATOM 0 HA THR A 97 1.404 7.860 -9.993 1.00 0.11 H new ATOM 0 HB THR A 97 2.879 6.292 -11.001 1.00 0.12 H new ATOM 0 HG1 THR A 97 4.110 4.807 -9.551 1.00 0.11 H new ATOM 0 HG21 THR A 97 5.071 6.865 -9.986 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.997 8.283 -10.043 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.239 7.411 -8.511 1.00 0.15 H new ATOM 1464 N GLY A 98 0.271 5.402 -8.244 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.761 4.398 -8.156 1.00 0.10 C ATOM 1466 C GLY A 98 -0.299 3.085 -8.745 1.00 0.10 C ATOM 1467 O GLY A 98 -1.106 2.210 -9.063 1.00 0.13 O ATOM 0 H GLY A 98 0.742 5.606 -7.363 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.042 4.253 -7.113 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.652 4.742 -8.682 1.00 0.10 H new ATOM 1471 N TYR A 99 1.014 2.966 -8.908 1.00 0.10 N ATOM 1472 CA TYR A 99 1.629 1.746 -9.367 1.00 0.12 C ATOM 1473 C TYR A 99 1.704 0.768 -8.213 1.00 0.09 C ATOM 1474 O TYR A 99 1.496 1.149 -7.069 1.00 0.09 O ATOM 1475 CB TYR A 99 3.033 2.055 -9.883 1.00 0.18 C ATOM 1476 CG TYR A 99 3.452 1.196 -11.043 1.00 0.33 C ATOM 1477 CD1 TYR A 99 3.076 1.537 -12.328 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.220 0.056 -10.858 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.452 0.767 -13.409 1.00 0.60 C ATOM 1480 CE2 TYR A 99 4.601 -0.723 -11.933 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.214 -0.363 -13.205 1.00 0.69 C ATOM 1482 OH TYR A 99 4.591 -1.135 -14.280 1.00 0.85 O ATOM 0 H TYR A 99 1.675 3.720 -8.723 1.00 0.10 H new ATOM 0 HA TYR A 99 1.040 1.308 -10.173 1.00 0.12 H new ATOM 0 HB2 TYR A 99 3.078 3.102 -10.182 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.747 1.925 -9.069 1.00 0.18 H new ATOM 0 HD1 TYR A 99 2.478 2.421 -12.489 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.524 -0.226 -9.861 1.00 0.48 H new ATOM 0 HE1 TYR A 99 3.151 1.048 -14.408 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.199 -1.609 -11.777 1.00 0.64 H new ATOM 0 HH TYR A 99 5.125 -1.894 -13.966 1.00 0.85 H new ATOM 1492 N PHE A 100 1.993 -0.479 -8.505 1.00 0.10 N ATOM 1493 CA PHE A 100 2.170 -1.468 -7.462 1.00 0.09 C ATOM 1494 C PHE A 100 3.197 -2.506 -7.858 1.00 0.10 C ATOM 1495 O PHE A 100 3.278 -2.922 -9.014 1.00 0.13 O ATOM 1496 CB PHE A 100 0.841 -2.116 -7.066 1.00 0.10 C ATOM 1497 CG PHE A 100 0.030 -2.617 -8.222 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.867 -1.778 -8.855 1.00 0.13 C ATOM 1499 CD2 PHE A 100 0.157 -3.921 -8.670 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.624 -2.226 -9.919 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.597 -4.377 -9.733 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.489 -3.528 -10.359 1.00 0.20 C ATOM 0 H PHE A 100 2.111 -0.834 -9.454 1.00 0.10 H new ATOM 0 HA PHE A 100 2.549 -0.949 -6.582 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.043 -2.948 -6.391 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.248 -1.390 -6.509 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.977 -0.759 -8.513 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.853 -4.588 -8.183 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.320 -1.560 -10.406 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.490 -5.396 -10.075 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.080 -3.882 -11.191 1.00 0.20 H new ATOM 1512 N VAL A 101 3.989 -2.891 -6.880 1.00 0.08 N ATOM 1513 CA VAL A 101 5.118 -3.769 -7.088 1.00 0.09 C ATOM 1514 C VAL A 101 4.872 -5.102 -6.392 1.00 0.10 C ATOM 1515 O VAL A 101 4.313 -5.149 -5.296 1.00 0.12 O ATOM 1516 CB VAL A 101 6.418 -3.122 -6.541 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.410 -1.618 -6.773 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.617 -3.422 -5.065 1.00 0.10 C ATOM 0 H VAL A 101 3.865 -2.600 -5.910 1.00 0.08 H new ATOM 0 HA VAL A 101 5.236 -3.937 -8.159 1.00 0.09 H new ATOM 0 HB VAL A 101 7.253 -3.560 -7.088 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.331 -1.185 -6.382 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.339 -1.415 -7.842 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.555 -1.176 -6.262 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.538 -2.952 -4.719 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.774 -3.030 -4.497 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.683 -4.500 -4.918 1.00 0.10 H new ATOM 1528 N GLY A 102 5.280 -6.178 -7.027 1.00 0.11 N ATOM 1529 CA GLY A 102 5.102 -7.490 -6.438 1.00 0.16 C ATOM 1530 C GLY A 102 6.394 -8.009 -5.839 1.00 0.23 C ATOM 1531 O GLY A 102 7.407 -7.306 -5.841 1.00 0.49 O ATOM 0 H GLY A 102 5.733 -6.174 -7.941 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.335 -7.442 -5.665 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.746 -8.186 -7.198 1.00 0.16 H new ATOM 1535 N ASN A 103 6.372 -9.232 -5.328 1.00 0.28 N ATOM 1536 CA ASN A 103 7.561 -9.824 -4.728 1.00 0.34 C ATOM 1537 C ASN A 103 7.672 -11.299 -5.088 1.00 0.52 C ATOM 1538 O ASN A 103 6.684 -11.939 -5.457 1.00 1.18 O ATOM 1539 CB ASN A 103 7.555 -9.654 -3.199 1.00 0.57 C ATOM 1540 CG ASN A 103 6.458 -10.439 -2.495 1.00 0.56 C ATOM 1541 OD1 ASN A 103 5.376 -10.658 -3.040 1.00 1.18 O ATOM 1542 ND2 ASN A 103 6.732 -10.863 -1.269 1.00 0.52 N ATOM 0 H ASN A 103 5.547 -9.832 -5.316 1.00 0.28 H new ATOM 0 HA ASN A 103 8.428 -9.299 -5.129 1.00 0.34 H new ATOM 0 HB2 ASN A 103 8.522 -9.967 -2.805 1.00 0.57 H new ATOM 0 HB3 ASN A 103 7.441 -8.596 -2.961 1.00 0.57 H new ATOM 0 HD21 ASN A 103 6.034 -11.390 -0.744 1.00 0.52 H new ATOM 0 HD22 ASN A 103 7.640 -10.662 -0.851 1.00 0.52 H new ATOM 1549 N GLY A 104 8.882 -11.826 -4.989 1.00 1.34 N ATOM 1550 CA GLY A 104 9.121 -13.223 -5.282 1.00 1.58 C ATOM 1551 C GLY A 104 10.507 -13.640 -4.855 1.00 1.94 C ATOM 1552 O GLY A 104 11.458 -13.522 -5.632 1.00 2.58 O ATOM 0 H GLY A 104 9.712 -11.304 -4.708 1.00 1.34 H new ATOM 0 HA2 GLY A 104 8.380 -13.837 -4.770 1.00 1.58 H new ATOM 0 HA3 GLY A 104 8.998 -13.400 -6.351 1.00 1.58 H new ATOM 1556 N ALA A 105 10.622 -14.108 -3.612 1.00 2.18 N ATOM 1557 CA ALA A 105 11.914 -14.446 -3.020 1.00 2.72 C ATOM 1558 C ALA A 105 12.830 -13.228 -3.036 1.00 2.38 C ATOM 1559 O ALA A 105 14.009 -13.318 -3.388 1.00 2.80 O ATOM 1560 CB ALA A 105 12.557 -15.622 -3.747 1.00 3.51 C ATOM 0 H ALA A 105 9.827 -14.262 -2.992 1.00 2.18 H new ATOM 0 HA ALA A 105 11.754 -14.747 -1.985 1.00 2.72 H new ATOM 0 HB1 ALA A 105 13.518 -15.853 -3.287 1.00 3.51 H new ATOM 0 HB2 ALA A 105 11.904 -16.492 -3.680 1.00 3.51 H new ATOM 0 HB3 ALA A 105 12.710 -15.363 -4.795 1.00 3.51 H new ATOM 1566 N GLY A 106 12.270 -12.087 -2.658 1.00 2.15 N ATOM 1567 CA GLY A 106 12.988 -10.837 -2.740 1.00 2.11 C ATOM 1568 C GLY A 106 12.886 -10.242 -4.128 1.00 1.71 C ATOM 1569 O GLY A 106 11.811 -10.265 -4.732 1.00 2.30 O ATOM 0 H GLY A 106 11.321 -12.008 -2.293 1.00 2.15 H new ATOM 0 HA2 GLY A 106 12.587 -10.135 -2.009 1.00 2.11 H new ATOM 0 HA3 GLY A 106 14.036 -10.998 -2.486 1.00 2.11 H new ATOM 1573 N HIS A 107 14.007 -9.723 -4.626 1.00 1.52 N ATOM 1574 CA HIS A 107 14.114 -9.200 -5.994 1.00 1.72 C ATOM 1575 C HIS A 107 13.380 -7.873 -6.163 1.00 1.44 C ATOM 1576 O HIS A 107 12.380 -7.596 -5.496 1.00 1.91 O ATOM 1577 CB HIS A 107 13.597 -10.212 -7.026 1.00 2.56 C ATOM 1578 CG HIS A 107 14.367 -11.495 -7.053 1.00 3.15 C ATOM 1579 ND1 HIS A 107 13.844 -12.694 -6.625 1.00 3.92 N ATOM 1580 CD2 HIS A 107 15.627 -11.764 -7.467 1.00 3.70 C ATOM 1581 CE1 HIS A 107 14.748 -13.642 -6.768 1.00 4.69 C ATOM 1582 NE2 HIS A 107 15.841 -13.107 -7.279 1.00 4.59 N ATOM 0 H HIS A 107 14.873 -9.651 -4.092 1.00 1.52 H new ATOM 0 HA HIS A 107 15.175 -9.026 -6.171 1.00 1.72 H new ATOM 0 HB2 HIS A 107 12.551 -10.432 -6.813 1.00 2.56 H new ATOM 0 HB3 HIS A 107 13.632 -9.757 -8.016 1.00 2.56 H new ATOM 0 HD1 HIS A 107 12.903 -12.828 -6.255 1.00 3.92 H new ATOM 0 HD2 HIS A 107 16.333 -11.054 -7.871 1.00 3.70 H new ATOM 0 HE1 HIS A 107 14.617 -14.683 -6.510 1.00 4.69 H new ATOM 1591 N ALA A 108 13.892 -7.041 -7.055 1.00 0.96 N ATOM 1592 CA ALA A 108 13.245 -5.782 -7.372 1.00 0.74 C ATOM 1593 C ALA A 108 12.328 -5.945 -8.558 1.00 0.74 C ATOM 1594 O ALA A 108 12.751 -5.839 -9.709 1.00 0.95 O ATOM 1595 CB ALA A 108 14.254 -4.691 -7.662 1.00 0.75 C ATOM 0 H ALA A 108 14.754 -7.216 -7.572 1.00 0.96 H new ATOM 0 HA ALA A 108 12.664 -5.488 -6.498 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.730 -3.764 -7.895 1.00 0.75 H new ATOM 0 HB2 ALA A 108 14.888 -4.540 -6.788 1.00 0.75 H new ATOM 0 HB3 ALA A 108 14.871 -4.983 -8.512 1.00 0.75 H new ATOM 1601 N ASP A 109 11.076 -6.231 -8.263 1.00 0.65 N ATOM 1602 CA ASP A 109 10.042 -6.265 -9.276 1.00 0.72 C ATOM 1603 C ASP A 109 9.991 -4.941 -10.024 1.00 0.71 C ATOM 1604 O ASP A 109 10.245 -4.876 -11.224 1.00 0.84 O ATOM 1605 CB ASP A 109 8.698 -6.532 -8.614 1.00 0.74 C ATOM 1606 CG ASP A 109 7.542 -6.488 -9.595 1.00 1.42 C ATOM 1607 OD1 ASP A 109 6.674 -5.603 -9.460 1.00 2.21 O ATOM 1608 OD2 ASP A 109 7.501 -7.338 -10.509 1.00 1.59 O1- ATOM 0 H ASP A 109 10.749 -6.445 -7.321 1.00 0.65 H new ATOM 0 HA ASP A 109 10.266 -7.060 -9.988 1.00 0.72 H new ATOM 0 HB2 ASP A 109 8.723 -7.509 -8.132 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.531 -5.794 -7.829 1.00 0.74 H new ATOM 1613 N ASP A 110 9.652 -3.892 -9.296 1.00 0.62 N ATOM 1614 CA ASP A 110 9.560 -2.553 -9.860 1.00 0.66 C ATOM 1615 C ASP A 110 10.552 -1.634 -9.181 1.00 0.64 C ATOM 1616 O ASP A 110 10.696 -0.467 -9.541 1.00 0.78 O ATOM 1617 CB ASP A 110 8.161 -1.998 -9.651 1.00 0.68 C ATOM 1618 CG ASP A 110 7.891 -0.763 -10.487 1.00 1.43 C ATOM 1619 OD1 ASP A 110 7.728 -0.888 -11.720 1.00 1.49 O ATOM 1620 OD2 ASP A 110 7.835 0.341 -9.910 1.00 2.37 O1- ATOM 0 H ASP A 110 9.433 -3.941 -8.301 1.00 0.62 H new ATOM 0 HA ASP A 110 9.781 -2.611 -10.926 1.00 0.66 H new ATOM 0 HB2 ASP A 110 7.429 -2.767 -9.899 1.00 0.68 H new ATOM 0 HB3 ASP A 110 8.024 -1.755 -8.597 1.00 0.68 H new ATOM 1625 N LEU A 111 11.227 -2.172 -8.186 1.00 0.56 N ATOM 1626 CA LEU A 111 11.956 -1.352 -7.241 1.00 0.60 C ATOM 1627 C LEU A 111 13.206 -0.754 -7.852 1.00 0.75 C ATOM 1628 O LEU A 111 13.712 -1.217 -8.876 1.00 0.81 O ATOM 1629 CB LEU A 111 12.299 -2.139 -5.982 1.00 0.58 C ATOM 1630 CG LEU A 111 11.107 -2.568 -5.117 1.00 0.47 C ATOM 1631 CD1 LEU A 111 9.973 -1.563 -5.189 1.00 0.51 C ATOM 1632 CD2 LEU A 111 10.618 -3.941 -5.520 1.00 0.55 C ATOM 0 H LEU A 111 11.286 -3.175 -8.011 1.00 0.56 H new ATOM 0 HA LEU A 111 11.300 -0.527 -6.965 1.00 0.60 H new ATOM 0 HB2 LEU A 111 12.852 -3.032 -6.274 1.00 0.58 H new ATOM 0 HB3 LEU A 111 12.969 -1.535 -5.370 1.00 0.58 H new ATOM 0 HG LEU A 111 11.453 -2.608 -4.084 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.147 -1.901 -4.564 1.00 0.51 H new ATOM 0 HD12 LEU A 111 10.323 -0.593 -4.835 1.00 0.51 H new ATOM 0 HD13 LEU A 111 9.633 -1.471 -6.221 1.00 0.51 H new ATOM 0 HD21 LEU A 111 9.772 -4.225 -4.893 1.00 0.55 H new ATOM 0 HD22 LEU A 111 10.306 -3.924 -6.564 1.00 0.55 H new ATOM 0 HD23 LEU A 111 11.423 -4.665 -5.393 1.00 0.55 H new ATOM 1644 N ASP A 112 13.696 0.268 -7.187 1.00 0.86 N ATOM 1645 CA ASP A 112 14.754 1.110 -7.715 1.00 1.05 C ATOM 1646 C ASP A 112 15.527 1.758 -6.578 1.00 1.03 C ATOM 1647 O ASP A 112 16.724 2.027 -6.691 1.00 1.16 O ATOM 1648 CB ASP A 112 14.125 2.191 -8.584 1.00 1.26 C ATOM 1649 CG ASP A 112 15.138 3.143 -9.186 1.00 1.52 C ATOM 1650 OD1 ASP A 112 15.740 2.798 -10.229 1.00 1.68 O ATOM 1651 OD2 ASP A 112 15.346 4.236 -8.615 1.00 1.61 O1- ATOM 0 H ASP A 112 13.372 0.543 -6.260 1.00 0.86 H new ATOM 0 HA ASP A 112 15.443 0.505 -8.304 1.00 1.05 H new ATOM 0 HB2 ASP A 112 13.560 1.718 -9.387 1.00 1.26 H new ATOM 0 HB3 ASP A 112 13.414 2.760 -7.985 1.00 1.26 H new ATOM 1656 N TYR A 113 14.817 1.999 -5.484 1.00 0.96 N ATOM 1657 CA TYR A 113 15.363 2.678 -4.324 1.00 1.04 C ATOM 1658 C TYR A 113 16.562 1.923 -3.745 1.00 1.23 C ATOM 1659 O TYR A 113 16.463 0.695 -3.545 1.00 1.72 O ATOM 1660 CB TYR A 113 14.264 2.856 -3.275 1.00 0.90 C ATOM 1661 CG TYR A 113 13.931 1.607 -2.486 1.00 1.26 C ATOM 1662 CD1 TYR A 113 14.200 1.506 -1.121 1.00 2.09 C ATOM 1663 CD2 TYR A 113 13.331 0.525 -3.117 1.00 1.41 C ATOM 1664 CE1 TYR A 113 13.871 0.360 -0.419 1.00 2.87 C ATOM 1665 CE2 TYR A 113 13.006 -0.618 -2.422 1.00 2.14 C ATOM 1666 CZ TYR A 113 13.365 -0.672 -0.999 1.00 2.88 C ATOM 1667 OH TYR A 113 12.939 -1.840 -0.386 1.00 3.71 O ATOM 1668 OXT TYR A 113 17.601 2.566 -3.479 1.00 1.79 O ATOM 0 H TYR A 113 13.840 1.726 -5.379 1.00 0.96 H new ATOM 0 HA TYR A 113 15.725 3.659 -4.631 1.00 1.04 H new ATOM 0 HB2 TYR A 113 14.568 3.638 -2.579 1.00 0.90 H new ATOM 0 HB3 TYR A 113 13.360 3.206 -3.772 1.00 0.90 H new ATOM 0 HD1 TYR A 113 14.670 2.331 -0.607 1.00 2.09 H new ATOM 0 HD2 TYR A 113 13.115 0.581 -4.174 1.00 1.41 H new ATOM 0 HE1 TYR A 113 14.044 0.330 0.647 1.00 2.87 H new ATOM 0 HE2 TYR A 113 12.506 -1.444 -2.905 1.00 2.14 H new ATOM 0 HH TYR A 113 12.517 -2.423 -1.051 1.00 3.71 H new TER 1678 TYR A 113