USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1186 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 48 GLN :FLIP amide:sc= -1.87 F(o=-3.8!,f=-1.9) USER MOD Set 1.2: A 157 ASN :FLIP amide:sc= -0.0302 X(o=-2.2,f=-1.9) USER MOD Set 2.1: A 5 ASN : amide:sc= -3.79! C(o=-2.7!,f=-2.3!) USER MOD Set 2.2: A 135 ASN : amide:sc= 1.14 K(o=-2.7,f=-3.5) USER MOD Set 3.1: A 133 TYR OH : rot 106:sc= -0.226 USER MOD Set 3.2: A 137 HIS : no HE2:sc= 1.18 K(o=0.95,f=-5.5!) USER MOD Single : A 3 GLN : amide:sc= -0.0688 K(o=-0.069,f=-0.95) USER MOD Single : A 4 SER OG : rot 173:sc= 1.35 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.728 (180deg=0.391) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -49:sc= 1.26 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 28 SER OG : rot 148:sc= 1.26 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -40:sc= -0.0219 USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.108! (180deg=-1.89!) USER MOD Single : A 61 TYR OH : rot -52:sc= 0.083 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.224 F(o=-1.5,f=-0.22) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.13! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 80 TYR OH : rot 93:sc= 0.183 USER MOD Single : A 81 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 82 SER OG : rot -111:sc= 0.821 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 88 ASN : amide:sc= 0.679 K(o=0.68,f=-0.006) USER MOD Single : A 96 ASN :FLIP amide:sc= -2.66! C(o=-9.5!,f=-2.7!) USER MOD Single : A 105 SER OG : rot 69:sc= 1.08 USER MOD Single : A 111 CYS SG : rot 178:sc= -12.2! USER MOD Single : A 114 SER OG : rot 69:sc= 0.574 USER MOD Single : A 117 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.08) USER MOD Single : A 119 MET CE :methyl -154:sc= -4.97! (180deg=-8.79!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.521 F(o=-1.1,f=-0.52) USER MOD Single : A 124 SER OG : rot -140:sc= 0.0811 USER MOD Single : A 130 MET CE :methyl 164:sc= -4.04! (180deg=-4.81!) USER MOD Single : A 132 THR OG1 : rot 73:sc= 0.664 USER MOD Single : A 143 GLN : amide:sc=-0.00819 K(o=-0.0082,f=-0.57) USER MOD Single : A 145 ASN :FLIP amide:sc= -2.87! C(o=-5.6!,f=-2.9!) USER MOD Single : A 150 THR OG1 : rot -170:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : B1014 CYS SG : rot 86:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -0.866 10.599 11.765 1.00 0.73 N ATOM 32 CA GLN A 3 -1.724 11.182 10.742 1.00 0.73 C ATOM 33 C GLN A 3 -1.157 10.899 9.360 1.00 0.61 C ATOM 34 O GLN A 3 -1.890 10.830 8.375 1.00 0.64 O ATOM 35 CB GLN A 3 -1.868 12.688 10.954 1.00 0.83 C ATOM 36 CG GLN A 3 -2.775 13.050 12.117 1.00 1.13 C ATOM 37 CD GLN A 3 -4.232 12.726 11.847 1.00 1.76 C ATOM 38 OE1 GLN A 3 -4.679 12.726 10.700 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.989 12.467 12.902 1.00 2.22 N ATOM 0 HA GLN A 3 -2.712 10.727 10.819 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.882 13.119 11.124 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -2.260 13.140 10.043 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.447 12.515 13.008 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.677 14.114 12.331 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.581 12.477 13.837 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.980 12.258 12.780 1.00 2.22 H new ATOM 48 N SER A 4 0.153 10.694 9.312 1.00 0.55 N ATOM 49 CA SER A 4 0.870 10.462 8.067 1.00 0.52 C ATOM 50 C SER A 4 0.455 9.155 7.388 1.00 0.45 C ATOM 51 O SER A 4 0.687 8.975 6.191 1.00 0.46 O ATOM 52 CB SER A 4 2.375 10.471 8.340 1.00 0.61 C ATOM 53 OG SER A 4 2.649 10.085 9.680 1.00 1.25 O ATOM 0 H SER A 4 0.749 10.684 10.139 1.00 0.55 H new ATOM 0 HA SER A 4 0.613 11.266 7.378 1.00 0.52 H new ATOM 0 HB2 SER A 4 2.878 9.792 7.652 1.00 0.61 H new ATOM 0 HB3 SER A 4 2.776 11.467 8.155 1.00 0.61 H new ATOM 0 HG SER A 4 3.616 9.982 9.799 1.00 1.25 H new ATOM 59 N ASN A 5 -0.183 8.249 8.132 1.00 0.43 N ATOM 60 CA ASN A 5 -0.634 6.989 7.543 1.00 0.39 C ATOM 61 C ASN A 5 -1.754 7.252 6.544 1.00 0.35 C ATOM 62 O ASN A 5 -2.098 6.386 5.738 1.00 0.35 O ATOM 63 CB ASN A 5 -1.134 5.988 8.588 1.00 0.40 C ATOM 64 CG ASN A 5 -0.190 5.780 9.753 1.00 0.80 C ATOM 65 OD1 ASN A 5 1.013 5.980 9.638 1.00 1.78 O ATOM 66 ND2 ASN A 5 -0.741 5.356 10.882 1.00 0.53 N ATOM 0 H ASN A 5 -0.395 8.361 9.123 1.00 0.43 H new ATOM 0 HA ASN A 5 0.233 6.551 7.048 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -2.095 6.330 8.971 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.308 5.029 8.101 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -0.158 5.183 11.701 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.748 5.203 10.932 1.00 0.53 H new ATOM 73 N ARG A 6 -2.331 8.448 6.619 1.00 0.35 N ATOM 74 CA ARG A 6 -3.333 8.880 5.656 1.00 0.34 C ATOM 75 C ARG A 6 -2.761 8.808 4.255 1.00 0.31 C ATOM 76 O ARG A 6 -3.368 8.240 3.353 1.00 0.30 O ATOM 77 CB ARG A 6 -3.781 10.314 5.950 1.00 0.41 C ATOM 78 CG ARG A 6 -4.758 10.849 4.919 1.00 0.59 C ATOM 79 CD ARG A 6 -6.041 10.045 4.926 1.00 0.41 C ATOM 80 NE ARG A 6 -6.971 10.544 5.937 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.838 9.801 6.620 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.971 8.505 6.369 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.594 10.368 7.546 1.00 0.93 N ATOM 0 H ARG A 6 -2.119 9.136 7.341 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.196 8.219 5.735 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.245 10.350 6.936 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.906 10.963 5.985 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.978 11.896 5.129 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.305 10.811 3.928 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.509 10.093 3.943 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.815 8.997 5.121 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.954 11.544 6.135 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.404 8.065 5.644 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.640 7.948 6.901 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.510 11.367 7.732 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.261 9.806 8.074 1.00 0.93 H new ATOM 97 N GLU A 7 -1.575 9.371 4.112 1.00 0.30 N ATOM 98 CA GLU A 7 -0.874 9.437 2.837 1.00 0.29 C ATOM 99 C GLU A 7 -0.749 8.059 2.209 1.00 0.25 C ATOM 100 O GLU A 7 -1.072 7.862 1.042 1.00 0.26 O ATOM 101 CB GLU A 7 0.527 9.984 3.054 1.00 0.31 C ATOM 102 CG GLU A 7 0.576 11.307 3.781 1.00 0.40 C ATOM 103 CD GLU A 7 1.997 11.697 4.118 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.781 11.986 3.194 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.318 11.773 5.319 1.00 0.53 O ATOM 0 H GLU A 7 -1.064 9.800 4.883 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.447 10.086 2.174 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.106 9.252 3.617 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.013 10.098 2.085 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.121 12.081 3.163 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.013 11.243 4.696 1.00 0.40 H new ATOM 112 N LEU A 8 -0.239 7.127 3.005 1.00 0.26 N ATOM 113 CA LEU A 8 -0.051 5.741 2.613 1.00 0.27 C ATOM 114 C LEU A 8 -1.313 5.163 1.979 1.00 0.28 C ATOM 115 O LEU A 8 -1.244 4.351 1.058 1.00 0.40 O ATOM 116 CB LEU A 8 0.344 4.947 3.860 1.00 0.34 C ATOM 117 CG LEU A 8 1.792 5.143 4.350 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.296 6.566 4.161 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.922 4.749 5.814 1.00 1.16 C ATOM 0 H LEU A 8 0.061 7.321 3.961 1.00 0.26 H new ATOM 0 HA LEU A 8 0.735 5.677 1.860 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.333 5.218 4.670 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.190 3.887 3.657 1.00 0.34 H new ATOM 0 HG LEU A 8 2.412 4.492 3.734 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.321 6.640 4.525 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.267 6.825 3.103 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.662 7.254 4.720 1.00 1.00 H new ATOM 0 HD21 LEU A 8 2.952 4.895 6.140 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.259 5.369 6.418 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.648 3.701 5.934 1.00 1.16 H new ATOM 131 N VAL A 9 -2.458 5.595 2.478 1.00 0.23 N ATOM 132 CA VAL A 9 -3.735 5.203 1.918 1.00 0.23 C ATOM 133 C VAL A 9 -4.053 6.040 0.685 1.00 0.23 C ATOM 134 O VAL A 9 -4.226 5.518 -0.415 1.00 0.24 O ATOM 135 CB VAL A 9 -4.841 5.393 2.969 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.215 5.154 2.377 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.599 4.476 4.150 1.00 0.27 C ATOM 0 H VAL A 9 -2.527 6.224 3.278 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.683 4.154 1.628 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.809 6.427 3.313 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.973 5.297 3.147 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.388 5.858 1.563 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.274 4.135 1.994 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.388 4.618 4.889 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.601 3.440 3.812 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.634 4.709 4.600 1.00 0.27 H new ATOM 147 N VAL A 10 -4.120 7.343 0.900 1.00 0.23 N ATOM 148 CA VAL A 10 -4.493 8.303 -0.134 1.00 0.25 C ATOM 149 C VAL A 10 -3.677 8.152 -1.410 1.00 0.25 C ATOM 150 O VAL A 10 -4.246 7.988 -2.490 1.00 0.27 O ATOM 151 CB VAL A 10 -4.330 9.731 0.391 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.651 10.745 -0.684 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.213 9.924 1.599 1.00 0.32 C ATOM 0 H VAL A 10 -3.916 7.771 1.803 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.535 8.099 -0.381 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.291 9.886 0.682 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.527 11.751 -0.284 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -3.977 10.605 -1.529 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.681 10.611 -1.015 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.098 10.941 1.975 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.253 9.755 1.320 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.926 9.216 2.376 1.00 0.32 H new ATOM 163 N ASP A 11 -2.355 8.218 -1.287 1.00 0.26 N ATOM 164 CA ASP A 11 -1.470 8.153 -2.448 1.00 0.28 C ATOM 165 C ASP A 11 -1.749 6.897 -3.261 1.00 0.31 C ATOM 166 O ASP A 11 -1.616 6.892 -4.488 1.00 0.35 O ATOM 167 CB ASP A 11 -0.001 8.178 -2.012 1.00 0.32 C ATOM 168 CG ASP A 11 0.951 8.339 -3.186 1.00 0.39 C ATOM 169 OD1 ASP A 11 1.201 9.494 -3.602 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.454 7.322 -3.701 1.00 0.49 O ATOM 0 H ASP A 11 -1.871 8.317 -0.394 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.664 9.027 -3.071 1.00 0.28 H new ATOM 0 HB2 ASP A 11 0.152 8.997 -1.309 1.00 0.32 H new ATOM 0 HB3 ASP A 11 0.233 7.255 -1.482 1.00 0.32 H new ATOM 175 N PHE A 12 -2.175 5.845 -2.574 1.00 0.32 N ATOM 176 CA PHE A 12 -2.474 4.592 -3.231 1.00 0.38 C ATOM 177 C PHE A 12 -3.847 4.651 -3.899 1.00 0.34 C ATOM 178 O PHE A 12 -3.966 4.353 -5.087 1.00 0.39 O ATOM 179 CB PHE A 12 -2.405 3.425 -2.245 1.00 0.46 C ATOM 180 CG PHE A 12 -2.051 2.121 -2.902 1.00 0.76 C ATOM 181 CD1 PHE A 12 -3.010 1.402 -3.596 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.768 1.606 -2.816 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.697 0.196 -4.193 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.450 0.401 -3.412 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.376 -0.275 -4.137 1.00 1.61 C ATOM 0 H PHE A 12 -2.319 5.840 -1.564 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.721 4.427 -4.002 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.667 3.650 -1.476 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.367 3.323 -1.743 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -4.015 1.789 -3.671 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.008 2.152 -2.277 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.460 -0.378 -4.697 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.544 -0.006 -3.300 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.098 -1.173 -4.669 1.00 1.61 H new ATOM 195 N LEU A 13 -4.882 5.054 -3.151 1.00 0.28 N ATOM 196 CA LEU A 13 -6.227 5.157 -3.718 1.00 0.28 C ATOM 197 C LEU A 13 -6.248 6.124 -4.895 1.00 0.30 C ATOM 198 O LEU A 13 -6.845 5.835 -5.931 1.00 0.34 O ATOM 199 CB LEU A 13 -7.261 5.593 -2.671 1.00 0.25 C ATOM 200 CG LEU A 13 -7.866 4.455 -1.846 1.00 0.26 C ATOM 201 CD1 LEU A 13 -6.990 4.095 -0.677 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.263 4.805 -1.369 1.00 0.27 C ATOM 0 H LEU A 13 -4.814 5.310 -2.166 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.499 4.161 -4.067 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.790 6.304 -1.992 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.068 6.123 -3.178 1.00 0.25 H new ATOM 0 HG LEU A 13 -7.933 3.585 -2.499 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.451 3.284 -0.113 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.013 3.776 -1.039 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.871 4.964 -0.030 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.666 3.977 -0.786 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.222 5.700 -0.748 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -9.906 4.990 -2.230 1.00 0.27 H new ATOM 214 N SER A 14 -5.570 7.253 -4.738 1.00 0.29 N ATOM 215 CA SER A 14 -5.474 8.252 -5.799 1.00 0.33 C ATOM 216 C SER A 14 -4.856 7.640 -7.052 1.00 0.37 C ATOM 217 O SER A 14 -5.307 7.885 -8.174 1.00 0.42 O ATOM 218 CB SER A 14 -4.635 9.444 -5.323 1.00 0.33 C ATOM 219 OG SER A 14 -4.554 10.458 -6.314 1.00 1.05 O ATOM 0 H SER A 14 -5.075 7.503 -3.882 1.00 0.29 H new ATOM 0 HA SER A 14 -6.478 8.601 -6.043 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.073 9.857 -4.414 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.631 9.104 -5.067 1.00 0.33 H new ATOM 0 HG SER A 14 -4.014 11.203 -5.977 1.00 1.05 H new ATOM 225 N TYR A 15 -3.845 6.809 -6.849 1.00 0.37 N ATOM 226 CA TYR A 15 -3.148 6.169 -7.949 1.00 0.45 C ATOM 227 C TYR A 15 -4.036 5.101 -8.590 1.00 0.43 C ATOM 228 O TYR A 15 -3.865 4.756 -9.760 1.00 0.55 O ATOM 229 CB TYR A 15 -1.840 5.555 -7.442 1.00 0.52 C ATOM 230 CG TYR A 15 -0.857 5.188 -8.532 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.223 6.171 -9.281 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.558 3.861 -8.805 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.681 5.839 -10.273 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.346 3.522 -9.792 1.00 1.06 C ATOM 235 CZ TYR A 15 0.963 4.514 -10.524 1.00 1.03 C ATOM 236 OH TYR A 15 1.867 4.178 -11.505 1.00 1.22 O ATOM 0 H TYR A 15 -3.489 6.562 -5.926 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.914 6.915 -8.709 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.362 6.259 -6.761 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.073 4.661 -6.864 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.440 7.211 -9.085 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.040 3.080 -8.236 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.164 6.615 -10.849 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.569 2.484 -9.990 1.00 1.06 H new ATOM 0 HH TYR A 15 1.951 3.203 -11.552 1.00 1.22 H new ATOM 246 N LYS A 16 -4.997 4.590 -7.823 1.00 0.33 N ATOM 247 CA LYS A 16 -5.912 3.567 -8.323 1.00 0.33 C ATOM 248 C LYS A 16 -7.085 4.199 -9.057 1.00 0.33 C ATOM 249 O LYS A 16 -7.645 3.598 -9.961 1.00 0.42 O ATOM 250 CB LYS A 16 -6.419 2.670 -7.191 1.00 0.34 C ATOM 251 CG LYS A 16 -5.324 1.979 -6.378 1.00 0.61 C ATOM 252 CD LYS A 16 -4.452 1.039 -7.209 1.00 0.57 C ATOM 253 CE LYS A 16 -3.349 1.784 -7.949 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.337 0.866 -8.530 1.00 1.41 N ATOM 0 H LYS A 16 -5.162 4.867 -6.855 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.355 2.947 -9.025 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.028 3.271 -6.516 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.072 1.908 -7.616 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -4.691 2.737 -5.917 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -5.785 1.414 -5.568 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.007 0.287 -6.557 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.076 0.508 -7.928 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -3.790 2.384 -8.745 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -2.858 2.475 -7.264 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -1.675 1.408 -9.121 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -1.813 0.398 -7.764 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -2.813 0.148 -9.113 1.00 1.41 H new ATOM 268 N LEU A 17 -7.459 5.410 -8.680 1.00 0.33 N ATOM 269 CA LEU A 17 -8.472 6.135 -9.445 1.00 0.32 C ATOM 270 C LEU A 17 -7.870 6.605 -10.764 1.00 0.35 C ATOM 271 O LEU A 17 -8.573 6.773 -11.761 1.00 0.36 O ATOM 272 CB LEU A 17 -9.038 7.336 -8.672 1.00 0.35 C ATOM 273 CG LEU A 17 -10.124 7.027 -7.629 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.625 5.599 -7.742 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.613 7.315 -6.231 1.00 1.15 C ATOM 0 H LEU A 17 -7.090 5.907 -7.869 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.300 5.451 -9.630 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.212 7.837 -8.167 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.448 8.044 -9.393 1.00 0.35 H new ATOM 0 HG LEU A 17 -10.972 7.681 -7.830 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.391 5.421 -6.987 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.048 5.439 -8.734 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.796 4.909 -7.586 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.394 7.091 -5.505 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.740 6.695 -6.028 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.337 8.367 -6.154 1.00 1.15 H new ATOM 287 N SER A 18 -6.556 6.788 -10.761 1.00 0.41 N ATOM 288 CA SER A 18 -5.831 7.274 -11.929 1.00 0.48 C ATOM 289 C SER A 18 -5.891 6.273 -13.093 1.00 0.51 C ATOM 290 O SER A 18 -5.940 6.671 -14.258 1.00 0.58 O ATOM 291 CB SER A 18 -4.376 7.562 -11.549 1.00 0.57 C ATOM 292 OG SER A 18 -3.733 8.363 -12.525 1.00 0.94 O ATOM 0 H SER A 18 -5.963 6.604 -9.951 1.00 0.41 H new ATOM 0 HA SER A 18 -6.309 8.194 -12.266 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.344 8.067 -10.584 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.836 6.622 -11.435 1.00 0.57 H new ATOM 0 HG SER A 18 -2.807 8.530 -12.252 1.00 0.94 H new ATOM 298 N GLN A 19 -5.908 4.977 -12.782 1.00 0.52 N ATOM 299 CA GLN A 19 -5.971 3.944 -13.821 1.00 0.57 C ATOM 300 C GLN A 19 -7.378 3.832 -14.396 1.00 0.51 C ATOM 301 O GLN A 19 -7.620 3.107 -15.361 1.00 0.59 O ATOM 302 CB GLN A 19 -5.518 2.592 -13.270 1.00 0.68 C ATOM 303 CG GLN A 19 -6.265 2.183 -12.023 1.00 0.84 C ATOM 304 CD GLN A 19 -5.833 0.843 -11.474 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.905 0.755 -10.672 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.517 -0.211 -11.886 1.00 1.19 N ATOM 0 H GLN A 19 -5.879 4.617 -11.828 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.294 4.238 -14.623 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.656 1.829 -14.036 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.451 2.634 -13.050 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.121 2.944 -11.256 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.332 2.150 -12.243 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.280 -0.095 -12.553 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.281 -1.140 -11.537 1.00 1.19 H new ATOM 315 N LYS A 20 -8.293 4.565 -13.795 1.00 0.45 N ATOM 316 CA LYS A 20 -9.688 4.556 -14.205 1.00 0.49 C ATOM 317 C LYS A 20 -10.010 5.873 -14.868 1.00 0.48 C ATOM 318 O LYS A 20 -10.888 5.974 -15.721 1.00 0.53 O ATOM 319 CB LYS A 20 -10.580 4.354 -12.984 1.00 0.57 C ATOM 320 CG LYS A 20 -9.977 3.420 -11.962 1.00 0.49 C ATOM 321 CD LYS A 20 -9.783 2.027 -12.523 1.00 1.20 C ATOM 322 CE LYS A 20 -11.090 1.461 -13.051 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.908 0.109 -13.637 1.00 2.20 N ATOM 0 H LYS A 20 -8.094 5.184 -13.009 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.864 3.741 -14.907 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.772 5.320 -12.517 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.543 3.959 -13.306 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.017 3.815 -11.629 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.624 3.373 -11.086 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.045 2.054 -13.325 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.387 1.372 -11.747 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.818 1.411 -12.241 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.498 2.133 -13.806 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.822 -0.244 -13.986 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.232 0.161 -14.426 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.542 -0.538 -12.910 1.00 2.20 H new ATOM 337 N GLY A 21 -9.272 6.876 -14.450 1.00 0.45 N ATOM 338 CA GLY A 21 -9.407 8.195 -15.014 1.00 0.49 C ATOM 339 C GLY A 21 -10.210 9.097 -14.117 1.00 0.47 C ATOM 340 O GLY A 21 -10.800 10.078 -14.567 1.00 0.53 O ATOM 0 H GLY A 21 -8.568 6.800 -13.716 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.419 8.626 -15.175 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.888 8.127 -15.990 1.00 0.49 H new ATOM 344 N TYR A 22 -10.238 8.752 -12.842 1.00 0.40 N ATOM 345 CA TYR A 22 -10.961 9.529 -11.855 1.00 0.37 C ATOM 346 C TYR A 22 -10.004 10.232 -10.908 1.00 0.36 C ATOM 347 O TYR A 22 -8.822 9.886 -10.825 1.00 0.38 O ATOM 348 CB TYR A 22 -11.912 8.633 -11.065 1.00 0.34 C ATOM 349 CG TYR A 22 -13.082 8.135 -11.885 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.969 6.991 -12.663 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.298 8.806 -11.878 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.032 6.529 -13.413 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.366 8.350 -12.624 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.231 7.228 -13.394 1.00 0.62 C ATOM 355 OH TYR A 22 -16.290 6.761 -14.136 1.00 0.76 O ATOM 0 H TYR A 22 -9.764 7.931 -12.465 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.541 10.286 -12.382 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.358 7.778 -10.678 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.289 9.185 -10.204 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.033 6.453 -12.682 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.410 9.698 -11.280 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.932 5.633 -14.008 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.307 8.879 -12.600 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.059 7.357 -14.019 1.00 0.76 H new ATOM 365 N SER A 23 -10.520 11.217 -10.195 1.00 0.37 N ATOM 366 CA SER A 23 -9.720 11.974 -9.258 1.00 0.39 C ATOM 367 C SER A 23 -9.984 11.501 -7.845 1.00 0.35 C ATOM 368 O SER A 23 -11.107 11.137 -7.503 1.00 0.34 O ATOM 369 CB SER A 23 -10.054 13.456 -9.356 1.00 0.45 C ATOM 370 OG SER A 23 -8.999 14.254 -8.854 1.00 0.52 O ATOM 0 H SER A 23 -11.495 11.510 -10.250 1.00 0.37 H new ATOM 0 HA SER A 23 -8.669 11.821 -9.504 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.249 13.719 -10.396 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.967 13.663 -8.798 1.00 0.45 H new ATOM 0 HG SER A 23 -9.240 15.201 -8.931 1.00 0.52 H new ATOM 376 N TRP A 24 -8.954 11.524 -7.026 1.00 0.37 N ATOM 377 CA TRP A 24 -9.089 11.167 -5.629 1.00 0.36 C ATOM 378 C TRP A 24 -9.889 12.228 -4.875 1.00 0.35 C ATOM 379 O TRP A 24 -10.830 11.909 -4.148 1.00 0.34 O ATOM 380 CB TRP A 24 -7.699 10.977 -5.003 1.00 0.45 C ATOM 381 CG TRP A 24 -7.602 11.431 -3.578 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.019 10.760 -2.466 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.051 12.669 -3.120 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.781 11.518 -1.344 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.181 12.692 -1.722 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.463 13.764 -3.761 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.747 13.765 -0.954 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -6.031 14.829 -2.996 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.174 14.822 -1.605 1.00 3.13 C ATOM 0 H TRP A 24 -8.009 11.788 -7.305 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.635 10.226 -5.556 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.430 9.922 -5.056 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -6.967 11.523 -5.598 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -8.469 9.778 -2.467 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.013 11.251 -0.387 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.349 13.776 -4.835 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -6.858 13.764 0.120 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.576 15.681 -3.479 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.825 15.669 -1.033 1.00 3.13 H new ATOM 400 N SER A 25 -9.536 13.491 -5.081 1.00 0.39 N ATOM 401 CA SER A 25 -10.082 14.569 -4.271 1.00 0.44 C ATOM 402 C SER A 25 -11.517 14.895 -4.665 1.00 0.43 C ATOM 403 O SER A 25 -12.269 15.430 -3.861 1.00 0.49 O ATOM 404 CB SER A 25 -9.202 15.811 -4.380 1.00 0.53 C ATOM 405 OG SER A 25 -9.412 16.695 -3.291 1.00 1.37 O ATOM 0 H SER A 25 -8.877 13.791 -5.799 1.00 0.39 H new ATOM 0 HA SER A 25 -10.094 14.234 -3.234 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.154 15.514 -4.411 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.415 16.328 -5.316 1.00 0.53 H new ATOM 0 HG SER A 25 -10.373 16.847 -3.173 1.00 1.37 H new ATOM 411 N GLN A 26 -11.911 14.566 -5.892 1.00 0.40 N ATOM 412 CA GLN A 26 -13.293 14.783 -6.306 1.00 0.42 C ATOM 413 C GLN A 26 -14.257 13.977 -5.445 1.00 0.38 C ATOM 414 O GLN A 26 -15.429 14.330 -5.296 1.00 0.41 O ATOM 415 CB GLN A 26 -13.493 14.413 -7.770 1.00 0.47 C ATOM 416 CG GLN A 26 -12.909 15.425 -8.730 1.00 0.59 C ATOM 417 CD GLN A 26 -13.239 15.110 -10.172 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.394 13.947 -10.550 1.00 1.11 O ATOM 419 NE2 GLN A 26 -13.352 16.143 -10.988 1.00 1.10 N ATOM 0 H GLN A 26 -11.307 14.156 -6.604 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.504 15.845 -6.177 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -13.037 13.441 -7.957 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.560 14.308 -7.968 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -13.287 16.417 -8.482 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.826 15.456 -8.606 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -13.216 17.090 -10.634 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -13.576 15.994 -11.972 1.00 1.10 H new ATOM 428 N PHE A 27 -13.759 12.886 -4.882 1.00 0.35 N ATOM 429 CA PHE A 27 -14.589 11.996 -4.095 1.00 0.38 C ATOM 430 C PHE A 27 -14.178 12.015 -2.626 1.00 0.43 C ATOM 431 O PHE A 27 -14.964 11.662 -1.751 1.00 0.67 O ATOM 432 CB PHE A 27 -14.485 10.576 -4.648 1.00 0.43 C ATOM 433 CG PHE A 27 -14.587 10.501 -6.147 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.523 11.259 -6.836 1.00 0.85 C ATOM 435 CD2 PHE A 27 -13.735 9.683 -6.867 1.00 0.94 C ATOM 436 CE1 PHE A 27 -15.605 11.199 -8.212 1.00 1.16 C ATOM 437 CE2 PHE A 27 -13.813 9.620 -8.244 1.00 1.20 C ATOM 438 CZ PHE A 27 -14.749 10.380 -8.917 1.00 1.28 C ATOM 0 H PHE A 27 -12.783 12.599 -4.958 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.621 12.340 -4.161 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.535 10.143 -4.335 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.274 9.966 -4.208 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.195 11.903 -6.289 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.000 9.087 -6.346 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.339 11.793 -8.736 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.142 8.977 -8.794 1.00 1.20 H new ATOM 0 HZ PHE A 27 -14.810 10.333 -9.994 1.00 1.28 H new ATOM 448 N SER A 28 -12.940 12.416 -2.363 1.00 0.39 N ATOM 449 CA SER A 28 -12.424 12.449 -1.003 1.00 0.42 C ATOM 450 C SER A 28 -12.430 13.842 -0.426 1.00 0.58 C ATOM 451 O SER A 28 -12.178 14.832 -1.102 1.00 1.01 O ATOM 452 CB SER A 28 -11.016 11.882 -0.943 1.00 0.62 C ATOM 453 OG SER A 28 -10.963 10.589 -1.522 1.00 1.81 O ATOM 0 H SER A 28 -12.276 12.722 -3.074 1.00 0.39 H new ATOM 0 HA SER A 28 -13.090 11.830 -0.402 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.330 12.547 -1.467 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.684 11.834 0.094 1.00 0.62 H new ATOM 0 HG SER A 28 -10.087 10.454 -1.941 1.00 1.81 H new ATOM 459 N ASP A 29 -12.692 13.872 0.854 1.00 0.63 N ATOM 460 CA ASP A 29 -12.799 15.096 1.611 1.00 0.84 C ATOM 461 C ASP A 29 -11.730 15.120 2.691 1.00 0.88 C ATOM 462 O ASP A 29 -11.531 16.128 3.371 1.00 1.03 O ATOM 463 CB ASP A 29 -14.168 15.141 2.273 1.00 1.04 C ATOM 464 CG ASP A 29 -15.317 15.357 1.311 1.00 1.69 C ATOM 465 OD1 ASP A 29 -15.865 14.354 0.801 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.710 16.521 1.091 1.00 1.85 O ATOM 0 H ASP A 29 -12.840 13.031 1.412 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.669 15.952 0.949 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.330 14.207 2.810 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.174 15.940 3.014 1.00 1.04 H new ATOM 471 N VAL A 30 -11.021 13.999 2.779 1.00 0.80 N ATOM 472 CA VAL A 30 -10.158 13.667 3.911 1.00 0.82 C ATOM 473 C VAL A 30 -9.138 14.759 4.233 1.00 0.82 C ATOM 474 O VAL A 30 -9.294 15.486 5.207 1.00 0.92 O ATOM 475 CB VAL A 30 -9.445 12.323 3.632 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.403 11.168 3.863 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.908 12.277 2.204 1.00 0.76 C ATOM 0 H VAL A 30 -11.029 13.282 2.053 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.794 13.581 4.792 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.603 12.234 4.318 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.892 10.226 3.664 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.748 11.182 4.897 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.258 11.265 3.194 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.411 11.322 2.033 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.734 12.388 1.501 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.195 13.088 2.057 1.00 0.76 H new ATOM 487 N GLU A 31 -8.120 14.898 3.405 1.00 0.78 N ATOM 488 CA GLU A 31 -7.127 15.937 3.597 1.00 0.83 C ATOM 489 C GLU A 31 -7.475 17.126 2.719 1.00 0.88 C ATOM 490 O GLU A 31 -6.746 18.117 2.660 1.00 0.98 O ATOM 491 CB GLU A 31 -5.721 15.417 3.293 1.00 0.93 C ATOM 492 CG GLU A 31 -5.584 14.799 1.916 1.00 1.05 C ATOM 493 CD GLU A 31 -4.183 14.304 1.636 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.355 15.097 1.154 1.00 2.46 O ATOM 495 OE2 GLU A 31 -3.907 13.112 1.903 1.00 2.74 O ATOM 0 H GLU A 31 -7.959 14.303 2.592 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.133 16.251 4.641 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.011 16.239 3.385 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.448 14.675 4.043 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.284 13.968 1.824 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.862 15.536 1.162 1.00 1.05 H new ATOM 502 N GLU A 32 -8.596 16.992 2.020 1.00 0.87 N ATOM 503 CA GLU A 32 -9.085 18.032 1.138 1.00 0.98 C ATOM 504 C GLU A 32 -9.610 19.219 1.939 1.00 1.09 C ATOM 505 O GLU A 32 -9.148 20.350 1.778 1.00 1.24 O ATOM 506 CB GLU A 32 -10.203 17.492 0.239 1.00 0.98 C ATOM 507 CG GLU A 32 -10.925 18.597 -0.518 1.00 1.12 C ATOM 508 CD GLU A 32 -11.991 18.097 -1.465 1.00 1.20 C ATOM 509 OE1 GLU A 32 -13.159 17.982 -1.043 1.00 1.17 O ATOM 510 OE2 GLU A 32 -11.674 17.861 -2.646 1.00 1.45 O ATOM 0 H GLU A 32 -9.186 16.161 2.052 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.252 18.363 0.518 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.782 16.783 -0.474 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.922 16.943 0.848 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.382 19.277 0.201 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.193 19.175 -1.083 1.00 1.12 H new ATOM 630 N THR A 41 5.355 13.875 4.408 1.00 1.12 N ATOM 631 CA THR A 41 6.201 14.260 5.522 1.00 0.86 C ATOM 632 C THR A 41 7.264 13.175 5.795 1.00 0.75 C ATOM 633 O THR A 41 8.428 13.345 5.433 1.00 0.85 O ATOM 634 CB THR A 41 5.351 14.561 6.784 1.00 0.80 C ATOM 635 OG1 THR A 41 6.188 14.790 7.926 1.00 0.95 O ATOM 636 CG2 THR A 41 4.356 13.446 7.074 1.00 0.91 C ATOM 0 HA THR A 41 6.726 15.178 5.258 1.00 0.86 H new ATOM 0 HB THR A 41 4.785 15.470 6.579 1.00 0.80 H new ATOM 0 HG1 THR A 41 5.629 14.979 8.708 1.00 0.95 H new ATOM 0 HG21 THR A 41 3.780 13.695 7.965 1.00 0.91 H new ATOM 0 HG22 THR A 41 3.681 13.331 6.226 1.00 0.91 H new ATOM 0 HG23 THR A 41 4.894 12.512 7.238 1.00 0.91 H new ATOM 644 N GLU A 42 6.863 12.060 6.402 1.00 0.69 N ATOM 645 CA GLU A 42 7.738 10.899 6.549 1.00 0.66 C ATOM 646 C GLU A 42 7.498 9.928 5.410 1.00 0.54 C ATOM 647 O GLU A 42 8.393 9.222 4.946 1.00 0.56 O ATOM 648 CB GLU A 42 7.463 10.181 7.872 1.00 0.74 C ATOM 649 CG GLU A 42 6.116 9.463 7.935 1.00 0.65 C ATOM 650 CD GLU A 42 5.928 8.707 9.234 1.00 1.20 C ATOM 651 OE1 GLU A 42 6.579 7.656 9.414 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.115 9.150 10.071 1.00 1.17 O ATOM 0 H GLU A 42 5.933 11.936 6.802 1.00 0.69 H new ATOM 0 HA GLU A 42 8.771 11.247 6.535 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.256 9.455 8.048 1.00 0.74 H new ATOM 0 HB3 GLU A 42 7.511 10.908 8.682 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.313 10.191 7.821 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.037 8.769 7.098 1.00 0.65 H new ATOM 659 N SER A 43 6.256 9.927 4.984 1.00 0.48 N ATOM 660 CA SER A 43 5.706 8.901 4.129 1.00 0.43 C ATOM 661 C SER A 43 6.356 8.793 2.769 1.00 0.43 C ATOM 662 O SER A 43 6.275 7.739 2.166 1.00 0.49 O ATOM 663 CB SER A 43 4.240 9.174 3.927 1.00 0.50 C ATOM 664 OG SER A 43 3.545 9.171 5.160 1.00 1.25 O ATOM 0 H SER A 43 5.585 10.656 5.228 1.00 0.48 H new ATOM 0 HA SER A 43 5.894 7.956 4.638 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.111 10.139 3.436 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.815 8.420 3.265 1.00 0.50 H new ATOM 0 HG SER A 43 3.888 8.449 5.727 1.00 1.25 H new ATOM 670 N GLU A 44 6.962 9.869 2.285 1.00 0.46 N ATOM 671 CA GLU A 44 7.475 9.922 0.909 1.00 0.52 C ATOM 672 C GLU A 44 8.119 8.601 0.479 1.00 0.51 C ATOM 673 O GLU A 44 7.698 8.006 -0.507 1.00 0.58 O ATOM 674 CB GLU A 44 8.463 11.075 0.726 1.00 0.61 C ATOM 675 CG GLU A 44 9.066 11.124 -0.671 1.00 0.72 C ATOM 676 CD GLU A 44 9.858 12.385 -0.934 1.00 1.17 C ATOM 677 OE1 GLU A 44 10.877 12.606 -0.247 1.00 1.91 O ATOM 678 OE2 GLU A 44 9.469 13.166 -1.825 1.00 1.29 O ATOM 0 H GLU A 44 7.114 10.723 2.821 1.00 0.46 H new ATOM 0 HA GLU A 44 6.613 10.096 0.265 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.955 12.018 0.930 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.264 10.980 1.459 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.715 10.259 -0.810 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.267 11.044 -1.408 1.00 0.72 H new ATOM 685 N ALA A 45 9.096 8.121 1.234 1.00 0.48 N ATOM 686 CA ALA A 45 9.751 6.860 0.904 1.00 0.48 C ATOM 687 C ALA A 45 8.828 5.662 1.138 1.00 0.41 C ATOM 688 O ALA A 45 8.803 4.732 0.332 1.00 0.41 O ATOM 689 CB ALA A 45 11.035 6.706 1.704 1.00 0.52 C ATOM 0 H ALA A 45 9.452 8.579 2.073 1.00 0.48 H new ATOM 0 HA ALA A 45 9.995 6.883 -0.158 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.513 5.760 1.447 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.710 7.529 1.470 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.804 6.718 2.769 1.00 0.52 H new ATOM 695 N VAL A 46 8.058 5.691 2.225 1.00 0.37 N ATOM 696 CA VAL A 46 7.198 4.559 2.577 1.00 0.34 C ATOM 697 C VAL A 46 6.059 4.389 1.559 1.00 0.34 C ATOM 698 O VAL A 46 5.781 3.274 1.119 1.00 0.39 O ATOM 699 CB VAL A 46 6.633 4.654 4.030 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.261 5.775 4.824 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.134 4.817 4.069 1.00 1.13 C ATOM 0 H VAL A 46 8.011 6.478 2.873 1.00 0.37 H new ATOM 0 HA VAL A 46 7.830 3.672 2.543 1.00 0.34 H new ATOM 0 HB VAL A 46 6.894 3.700 4.488 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.832 5.796 5.826 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.337 5.614 4.893 1.00 1.41 H new ATOM 0 HG13 VAL A 46 7.068 6.726 4.327 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.801 4.877 5.105 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.854 5.730 3.544 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.662 3.961 3.586 1.00 1.13 H new ATOM 711 N LYS A 47 5.421 5.491 1.168 1.00 0.34 N ATOM 712 CA LYS A 47 4.340 5.443 0.190 1.00 0.36 C ATOM 713 C LYS A 47 4.908 5.102 -1.180 1.00 0.39 C ATOM 714 O LYS A 47 4.315 4.337 -1.940 1.00 0.43 O ATOM 715 CB LYS A 47 3.589 6.779 0.133 1.00 0.38 C ATOM 716 CG LYS A 47 4.496 7.959 -0.154 1.00 0.49 C ATOM 717 CD LYS A 47 3.735 9.239 -0.415 1.00 0.47 C ATOM 718 CE LYS A 47 2.981 9.688 0.808 1.00 0.47 C ATOM 719 NZ LYS A 47 2.479 11.082 0.672 1.00 0.67 N ATOM 0 H LYS A 47 5.635 6.426 1.514 1.00 0.34 H new ATOM 0 HA LYS A 47 3.632 4.672 0.493 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.820 6.724 -0.637 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.079 6.943 1.082 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.168 8.108 0.691 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.118 7.730 -1.019 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.429 10.021 -0.724 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.038 9.088 -1.239 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.141 9.016 0.983 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.631 9.620 1.680 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.387 11.512 1.615 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.148 11.638 0.102 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.550 11.072 0.204 1.00 0.67 H new ATOM 733 N GLN A 48 6.073 5.673 -1.481 1.00 0.40 N ATOM 734 CA GLN A 48 6.793 5.345 -2.707 1.00 0.46 C ATOM 735 C GLN A 48 7.125 3.862 -2.769 1.00 0.45 C ATOM 736 O GLN A 48 7.157 3.283 -3.842 1.00 0.50 O ATOM 737 CB GLN A 48 8.085 6.153 -2.834 1.00 0.52 C ATOM 738 CG GLN A 48 7.908 7.514 -3.483 1.00 0.58 C ATOM 739 CD GLN A 48 7.221 7.465 -4.840 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.348 6.351 -5.554 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.560 8.424 -5.239 1.00 0.63 N flip ATOM 0 H GLN A 48 6.537 6.365 -0.892 1.00 0.40 H new ATOM 0 HA GLN A 48 6.134 5.602 -3.536 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.514 6.290 -1.841 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.805 5.577 -3.415 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.328 8.151 -2.816 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.886 7.981 -3.599 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.483 9.264 -4.666 1.00 0.63 H new ATOM 0 HE22 GLN A 48 6.089 8.378 -6.143 1.00 0.63 H new ATOM 750 N ALA A 49 7.386 3.260 -1.620 1.00 0.42 N ATOM 751 CA ALA A 49 7.669 1.834 -1.552 1.00 0.41 C ATOM 752 C ALA A 49 6.385 1.023 -1.678 1.00 0.39 C ATOM 753 O ALA A 49 6.341 -0.009 -2.350 1.00 0.42 O ATOM 754 CB ALA A 49 8.369 1.505 -0.247 1.00 0.42 C ATOM 0 H ALA A 49 7.408 3.737 -0.719 1.00 0.42 H new ATOM 0 HA ALA A 49 8.324 1.572 -2.383 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.577 0.436 -0.205 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.306 2.059 -0.187 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.728 1.783 0.590 1.00 0.42 H new ATOM 760 N LEU A 50 5.337 1.523 -1.046 1.00 0.38 N ATOM 761 CA LEU A 50 4.060 0.826 -0.962 1.00 0.40 C ATOM 762 C LEU A 50 3.384 0.679 -2.320 1.00 0.41 C ATOM 763 O LEU A 50 2.620 -0.259 -2.534 1.00 0.43 O ATOM 764 CB LEU A 50 3.134 1.571 -0.006 1.00 0.45 C ATOM 765 CG LEU A 50 2.758 0.810 1.265 1.00 0.69 C ATOM 766 CD1 LEU A 50 4.001 0.311 1.980 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.947 1.701 2.184 1.00 1.20 C ATOM 0 H LEU A 50 5.345 2.427 -0.574 1.00 0.38 H new ATOM 0 HA LEU A 50 4.261 -0.179 -0.590 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.611 2.508 0.279 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.219 1.829 -0.540 1.00 0.45 H new ATOM 0 HG LEU A 50 2.154 -0.053 0.985 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.710 -0.228 2.882 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.556 -0.357 1.321 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.630 1.159 2.251 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.684 1.149 3.087 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.536 2.578 2.453 1.00 1.20 H new ATOM 0 HD23 LEU A 50 1.037 2.017 1.674 1.00 1.20 H new ATOM 779 N ARG A 51 3.683 1.576 -3.247 1.00 0.44 N ATOM 780 CA ARG A 51 3.002 1.572 -4.533 1.00 0.50 C ATOM 781 C ARG A 51 3.669 0.570 -5.450 1.00 0.52 C ATOM 782 O ARG A 51 3.049 -0.001 -6.348 1.00 0.59 O ATOM 783 CB ARG A 51 3.047 2.961 -5.157 1.00 0.53 C ATOM 784 CG ARG A 51 4.430 3.570 -5.094 1.00 0.52 C ATOM 785 CD ARG A 51 4.570 4.763 -6.005 1.00 0.73 C ATOM 786 NE ARG A 51 3.638 5.839 -5.678 1.00 1.21 N ATOM 787 CZ ARG A 51 3.563 6.983 -6.357 1.00 1.63 C ATOM 788 NH1 ARG A 51 4.340 7.187 -7.415 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.711 7.921 -5.973 1.00 2.17 N ATOM 0 H ARG A 51 4.384 2.308 -3.136 1.00 0.44 H new ATOM 0 HA ARG A 51 1.959 1.291 -4.386 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.725 2.901 -6.197 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.341 3.612 -4.642 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.646 3.871 -4.069 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.169 2.817 -5.368 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.590 5.142 -5.945 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.407 4.448 -7.036 1.00 0.73 H new ATOM 0 HE ARG A 51 3.009 5.707 -4.886 1.00 1.21 H new ATOM 0 HH11 ARG A 51 4.998 6.466 -7.711 1.00 1.96 H new ATOM 0 HH12 ARG A 51 4.279 8.065 -7.931 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.115 7.767 -5.160 1.00 2.17 H new ATOM 0 HH22 ARG A 51 2.651 8.798 -6.490 1.00 2.17 H new ATOM 803 N GLU A 52 4.944 0.363 -5.188 1.00 0.49 N ATOM 804 CA GLU A 52 5.766 -0.544 -5.956 1.00 0.54 C ATOM 805 C GLU A 52 5.516 -1.975 -5.500 1.00 0.53 C ATOM 806 O GLU A 52 5.445 -2.898 -6.309 1.00 0.58 O ATOM 807 CB GLU A 52 7.223 -0.151 -5.755 1.00 0.59 C ATOM 808 CG GLU A 52 7.449 1.347 -5.902 1.00 0.63 C ATOM 809 CD GLU A 52 7.325 1.825 -7.336 1.00 0.87 C ATOM 810 OE1 GLU A 52 6.190 1.909 -7.839 1.00 1.07 O ATOM 811 OE2 GLU A 52 8.364 2.115 -7.965 1.00 1.10 O ATOM 0 H GLU A 52 5.442 0.826 -4.427 1.00 0.49 H new ATOM 0 HA GLU A 52 5.519 -0.484 -7.016 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.548 -0.469 -4.764 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.842 -0.681 -6.479 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.728 1.881 -5.283 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.440 1.598 -5.525 1.00 0.63 H new ATOM 818 N ALA A 53 5.375 -2.143 -4.191 1.00 0.49 N ATOM 819 CA ALA A 53 4.976 -3.423 -3.624 1.00 0.48 C ATOM 820 C ALA A 53 3.526 -3.713 -3.975 1.00 0.49 C ATOM 821 O ALA A 53 3.168 -4.838 -4.326 1.00 0.53 O ATOM 822 CB ALA A 53 5.163 -3.420 -2.115 1.00 0.45 C ATOM 0 H ALA A 53 5.532 -1.407 -3.502 1.00 0.49 H new ATOM 0 HA ALA A 53 5.607 -4.205 -4.045 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.860 -4.385 -1.709 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.212 -3.240 -1.879 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.552 -2.632 -1.674 1.00 0.45 H new ATOM 828 N GLY A 54 2.697 -2.677 -3.888 1.00 0.49 N ATOM 829 CA GLY A 54 1.302 -2.800 -4.255 1.00 0.53 C ATOM 830 C GLY A 54 1.142 -3.205 -5.699 1.00 0.60 C ATOM 831 O GLY A 54 0.209 -3.914 -6.046 1.00 0.70 O ATOM 0 H GLY A 54 2.972 -1.749 -3.567 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.820 -3.538 -3.614 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.795 -1.850 -4.084 1.00 0.53 H new ATOM 835 N ASP A 55 2.080 -2.766 -6.531 1.00 0.61 N ATOM 836 CA ASP A 55 2.101 -3.117 -7.949 1.00 0.69 C ATOM 837 C ASP A 55 2.066 -4.630 -8.139 1.00 0.70 C ATOM 838 O ASP A 55 1.395 -5.136 -9.033 1.00 0.79 O ATOM 839 CB ASP A 55 3.362 -2.548 -8.597 1.00 0.73 C ATOM 840 CG ASP A 55 3.441 -2.820 -10.083 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.727 -2.142 -10.852 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.200 -3.724 -10.487 1.00 0.82 O ATOM 0 H ASP A 55 2.847 -2.158 -6.244 1.00 0.61 H new ATOM 0 HA ASP A 55 1.216 -2.691 -8.423 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.396 -1.472 -8.429 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.238 -2.975 -8.109 1.00 0.73 H new ATOM 847 N GLU A 56 2.785 -5.336 -7.275 1.00 0.66 N ATOM 848 CA GLU A 56 2.854 -6.782 -7.302 1.00 0.74 C ATOM 849 C GLU A 56 1.610 -7.393 -6.647 1.00 0.77 C ATOM 850 O GLU A 56 1.212 -8.518 -6.942 1.00 0.88 O ATOM 851 CB GLU A 56 4.139 -7.234 -6.604 1.00 0.79 C ATOM 852 CG GLU A 56 3.992 -8.549 -5.887 1.00 1.24 C ATOM 853 CD GLU A 56 5.291 -9.081 -5.323 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.079 -9.673 -6.085 1.00 1.43 O ATOM 855 OE2 GLU A 56 5.540 -8.876 -4.116 1.00 2.29 O ATOM 0 H GLU A 56 3.340 -4.912 -6.531 1.00 0.66 H new ATOM 0 HA GLU A 56 2.876 -7.131 -8.334 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.936 -7.317 -7.343 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.445 -6.470 -5.889 1.00 0.79 H new ATOM 0 HG2 GLU A 56 3.274 -8.432 -5.075 1.00 1.24 H new ATOM 0 HG3 GLU A 56 3.577 -9.284 -6.576 1.00 1.24 H new ATOM 862 N PHE A 57 1.010 -6.652 -5.744 1.00 0.71 N ATOM 863 CA PHE A 57 -0.191 -7.104 -5.064 1.00 0.75 C ATOM 864 C PHE A 57 -1.452 -6.891 -5.909 1.00 0.78 C ATOM 865 O PHE A 57 -2.480 -7.524 -5.657 1.00 0.91 O ATOM 866 CB PHE A 57 -0.310 -6.419 -3.703 1.00 0.76 C ATOM 867 CG PHE A 57 0.357 -7.201 -2.611 1.00 1.09 C ATOM 868 CD1 PHE A 57 -0.277 -8.277 -2.018 1.00 1.37 C ATOM 869 CD2 PHE A 57 1.620 -6.844 -2.172 1.00 1.71 C ATOM 870 CE1 PHE A 57 0.338 -8.987 -1.008 1.00 1.79 C ATOM 871 CE2 PHE A 57 2.240 -7.548 -1.161 1.00 2.29 C ATOM 872 CZ PHE A 57 1.583 -8.671 -0.604 1.00 2.20 C ATOM 0 H PHE A 57 1.333 -5.727 -5.459 1.00 0.71 H new ATOM 0 HA PHE A 57 -0.103 -8.179 -4.910 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.135 -5.425 -3.759 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -1.363 -6.283 -3.458 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -1.264 -8.565 -2.349 1.00 1.37 H new ATOM 0 HD2 PHE A 57 2.126 -6.005 -2.626 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -0.185 -9.806 -0.536 1.00 1.79 H new ATOM 0 HE2 PHE A 57 3.212 -7.247 -0.800 1.00 2.29 H new ATOM 0 HZ PHE A 57 2.079 -9.273 0.143 1.00 2.20 H new ATOM 882 N GLU A 58 -1.369 -6.024 -6.917 1.00 0.73 N ATOM 883 CA GLU A 58 -2.529 -5.702 -7.748 1.00 0.82 C ATOM 884 C GLU A 58 -2.958 -6.901 -8.566 1.00 0.82 C ATOM 885 O GLU A 58 -4.020 -7.468 -8.333 1.00 0.89 O ATOM 886 CB GLU A 58 -2.227 -4.541 -8.691 1.00 0.86 C ATOM 887 CG GLU A 58 -1.899 -3.252 -7.979 1.00 0.91 C ATOM 888 CD GLU A 58 -1.819 -2.081 -8.927 1.00 0.93 C ATOM 889 OE1 GLU A 58 -2.880 -1.609 -9.383 1.00 1.30 O ATOM 890 OE2 GLU A 58 -0.699 -1.615 -9.217 1.00 1.24 O ATOM 0 H GLU A 58 -0.514 -5.533 -7.178 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.336 -5.415 -7.074 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.390 -4.814 -9.333 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.087 -4.379 -9.340 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.658 -3.054 -7.223 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.949 -3.359 -7.456 1.00 0.91 H new ATOM 897 N LEU A 59 -2.115 -7.272 -9.524 1.00 0.81 N ATOM 898 CA LEU A 59 -2.352 -8.428 -10.393 1.00 0.87 C ATOM 899 C LEU A 59 -2.752 -9.653 -9.584 1.00 0.85 C ATOM 900 O LEU A 59 -3.625 -10.418 -9.999 1.00 0.96 O ATOM 901 CB LEU A 59 -1.093 -8.768 -11.201 1.00 0.96 C ATOM 902 CG LEU A 59 0.118 -9.161 -10.352 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.163 -9.876 -11.162 1.00 1.54 C ATOM 904 CD2 LEU A 59 0.733 -7.950 -9.712 1.00 1.46 C ATOM 0 H LEU A 59 -1.244 -6.780 -9.723 1.00 0.81 H new ATOM 0 HA LEU A 59 -3.164 -8.159 -11.068 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -1.324 -9.586 -11.883 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.827 -7.907 -11.815 1.00 0.96 H new ATOM 0 HG LEU A 59 -0.244 -9.840 -9.580 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.005 -10.137 -10.521 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.736 -10.784 -11.587 1.00 1.54 H new ATOM 0 HD13 LEU A 59 1.507 -9.226 -11.967 1.00 1.54 H new ATOM 0 HD21 LEU A 59 1.592 -8.252 -9.113 1.00 1.46 H new ATOM 0 HD22 LEU A 59 1.057 -7.254 -10.486 1.00 1.46 H new ATOM 0 HD23 LEU A 59 -0.003 -7.464 -9.072 1.00 1.46 H new ATOM 916 N ARG A 60 -2.117 -9.821 -8.423 1.00 0.83 N ATOM 917 CA ARG A 60 -2.365 -10.975 -7.583 1.00 0.90 C ATOM 918 C ARG A 60 -3.851 -11.113 -7.267 1.00 0.98 C ATOM 919 O ARG A 60 -4.458 -12.158 -7.507 1.00 1.15 O ATOM 920 CB ARG A 60 -1.575 -10.890 -6.278 1.00 1.03 C ATOM 921 CG ARG A 60 -0.132 -11.342 -6.399 1.00 1.00 C ATOM 922 CD ARG A 60 0.564 -11.307 -5.051 1.00 1.07 C ATOM 923 NE ARG A 60 1.897 -11.900 -5.107 1.00 1.41 N ATOM 924 CZ ARG A 60 2.942 -11.452 -4.418 1.00 1.94 C ATOM 925 NH1 ARG A 60 2.801 -10.437 -3.572 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.131 -12.024 -4.565 1.00 2.58 N ATOM 0 H ARG A 60 -1.428 -9.168 -8.050 1.00 0.83 H new ATOM 0 HA ARG A 60 -2.035 -11.853 -8.138 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.594 -9.860 -5.921 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -2.073 -11.498 -5.523 1.00 1.03 H new ATOM 0 HG2 ARG A 60 -0.097 -12.353 -6.804 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.397 -10.698 -7.102 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.641 -10.275 -4.710 1.00 1.07 H new ATOM 0 HD3 ARG A 60 -0.040 -11.841 -4.317 1.00 1.07 H new ATOM 0 HE ARG A 60 2.035 -12.709 -5.713 1.00 1.41 H new ATOM 0 HH11 ARG A 60 1.888 -9.998 -3.449 1.00 2.43 H new ATOM 0 HH12 ARG A 60 3.605 -10.096 -3.045 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.244 -12.808 -5.207 1.00 2.58 H new ATOM 0 HH22 ARG A 60 4.932 -11.679 -4.036 1.00 2.58 H new ATOM 940 N TYR A 61 -4.436 -10.043 -6.744 1.00 1.04 N ATOM 941 CA TYR A 61 -5.843 -10.050 -6.372 1.00 1.26 C ATOM 942 C TYR A 61 -6.717 -9.718 -7.571 1.00 1.32 C ATOM 943 O TYR A 61 -7.899 -10.055 -7.596 1.00 1.59 O ATOM 944 CB TYR A 61 -6.105 -9.059 -5.237 1.00 1.52 C ATOM 945 CG TYR A 61 -5.310 -9.352 -3.984 1.00 2.19 C ATOM 946 CD1 TYR A 61 -5.020 -10.660 -3.610 1.00 2.84 C ATOM 947 CD2 TYR A 61 -4.854 -8.321 -3.173 1.00 2.70 C ATOM 948 CE1 TYR A 61 -4.298 -10.929 -2.465 1.00 3.86 C ATOM 949 CE2 TYR A 61 -4.132 -8.584 -2.027 1.00 3.67 C ATOM 950 CZ TYR A 61 -3.856 -9.889 -1.678 1.00 4.23 C ATOM 951 OH TYR A 61 -3.140 -10.156 -0.538 1.00 5.32 O ATOM 0 H TYR A 61 -3.957 -9.160 -6.568 1.00 1.04 H new ATOM 0 HA TYR A 61 -6.097 -11.052 -6.025 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -5.867 -8.053 -5.582 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -7.168 -9.070 -4.994 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -5.365 -11.478 -4.225 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -5.068 -7.298 -3.444 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -4.081 -11.950 -2.188 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -3.785 -7.771 -1.406 1.00 3.67 H new ATOM 0 HH TYR A 61 -3.629 -10.804 0.011 1.00 5.32 H new ATOM 961 N ARG A 62 -6.121 -9.071 -8.569 1.00 1.28 N ATOM 962 CA ARG A 62 -6.822 -8.694 -9.794 1.00 1.39 C ATOM 963 C ARG A 62 -7.447 -9.913 -10.459 1.00 1.07 C ATOM 964 O ARG A 62 -8.463 -9.810 -11.145 1.00 1.30 O ATOM 965 CB ARG A 62 -5.863 -7.996 -10.762 1.00 1.72 C ATOM 966 CG ARG A 62 -6.507 -7.558 -12.067 1.00 2.15 C ATOM 967 CD ARG A 62 -5.522 -6.802 -12.942 1.00 2.51 C ATOM 968 NE ARG A 62 -5.103 -5.539 -12.333 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.850 -5.081 -12.350 1.00 3.59 C ATOM 970 NH1 ARG A 62 -2.886 -5.786 -12.928 1.00 3.59 N ATOM 971 NH2 ARG A 62 -3.560 -3.914 -11.790 1.00 4.48 N ATOM 0 H ARG A 62 -5.140 -8.793 -8.552 1.00 1.28 H new ATOM 0 HA ARG A 62 -7.621 -8.002 -9.529 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -5.438 -7.122 -10.268 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -5.036 -8.670 -10.986 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.877 -8.432 -12.604 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -7.369 -6.925 -11.855 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.646 -7.425 -13.123 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -5.978 -6.603 -13.912 1.00 2.51 H new ATOM 0 HE ARG A 62 -5.813 -4.974 -11.867 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.101 -6.683 -13.363 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -1.930 -5.431 -12.938 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -4.296 -3.365 -11.345 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -2.601 -3.566 -11.804 1.00 4.48 H new ATOM 985 N ARG A 63 -6.832 -11.065 -10.243 1.00 0.98 N ATOM 986 CA ARG A 63 -7.351 -12.322 -10.750 1.00 1.19 C ATOM 987 C ARG A 63 -8.768 -12.579 -10.248 1.00 1.20 C ATOM 988 O ARG A 63 -9.688 -12.784 -11.035 1.00 1.45 O ATOM 989 CB ARG A 63 -6.442 -13.475 -10.324 1.00 1.61 C ATOM 990 CG ARG A 63 -5.089 -13.473 -11.008 1.00 2.18 C ATOM 991 CD ARG A 63 -5.234 -13.637 -12.510 1.00 2.52 C ATOM 992 NE ARG A 63 -3.953 -13.888 -13.159 1.00 3.12 N ATOM 993 CZ ARG A 63 -3.738 -14.896 -14.000 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.724 -15.736 -14.299 1.00 4.07 N ATOM 995 NH2 ARG A 63 -2.541 -15.068 -14.545 1.00 4.72 N ATOM 0 H ARG A 63 -5.964 -11.153 -9.714 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.377 -12.258 -11.838 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.293 -13.428 -9.245 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.944 -14.419 -10.536 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -4.569 -12.540 -10.790 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -4.475 -14.281 -10.609 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.915 -14.462 -12.720 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -5.683 -12.738 -12.931 1.00 2.52 H new ATOM 0 HE ARG A 63 -3.179 -13.256 -12.957 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.647 -15.608 -13.883 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.558 -16.509 -14.944 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -1.781 -14.426 -14.320 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -2.380 -15.842 -15.189 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.935 -12.563 -8.933 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.207 -12.920 -8.322 1.00 1.09 C ATOM 1011 C ALA A 64 -11.120 -11.717 -8.099 1.00 1.08 C ATOM 1012 O ALA A 64 -12.333 -11.845 -8.192 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.966 -13.636 -7.003 1.00 1.17 C ATOM 0 H ALA A 64 -8.205 -12.306 -8.269 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.718 -13.582 -9.021 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.923 -13.900 -6.552 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.387 -14.542 -7.181 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.415 -12.980 -6.328 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.542 -10.549 -7.820 1.00 1.14 N ATOM 1020 CA PHE A 65 -11.315 -9.409 -7.307 1.00 1.22 C ATOM 1021 C PHE A 65 -12.406 -8.945 -8.279 1.00 1.19 C ATOM 1022 O PHE A 65 -13.410 -8.379 -7.854 1.00 1.22 O ATOM 1023 CB PHE A 65 -10.383 -8.247 -6.917 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.208 -7.171 -7.957 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -9.645 -7.448 -9.190 1.00 1.98 C ATOM 1026 CD2 PHE A 65 -10.597 -5.869 -7.684 1.00 1.67 C ATOM 1027 CE1 PHE A 65 -9.474 -6.450 -10.131 1.00 2.59 C ATOM 1028 CE2 PHE A 65 -10.429 -4.870 -8.621 1.00 2.44 C ATOM 1029 CZ PHE A 65 -9.867 -5.160 -9.846 1.00 2.81 C ATOM 0 H PHE A 65 -9.546 -10.364 -7.939 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.830 -9.755 -6.411 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -10.768 -7.787 -6.007 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.402 -8.657 -6.677 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -9.335 -8.457 -9.420 1.00 1.98 H new ATOM 0 HD2 PHE A 65 -11.037 -5.633 -6.726 1.00 1.67 H new ATOM 0 HE1 PHE A 65 -9.033 -6.681 -11.089 1.00 2.59 H new ATOM 0 HE2 PHE A 65 -10.738 -3.860 -8.395 1.00 2.44 H new ATOM 0 HZ PHE A 65 -9.735 -4.379 -10.580 1.00 2.81 H new ATOM 1039 N SER A 66 -12.222 -9.202 -9.571 1.00 1.20 N ATOM 1040 CA SER A 66 -13.232 -8.857 -10.564 1.00 1.24 C ATOM 1041 C SER A 66 -14.514 -9.647 -10.317 1.00 1.13 C ATOM 1042 O SER A 66 -15.620 -9.147 -10.513 1.00 1.16 O ATOM 1043 CB SER A 66 -12.709 -9.132 -11.957 1.00 1.45 C ATOM 1044 OG SER A 66 -11.444 -8.523 -12.161 1.00 2.19 O ATOM 0 H SER A 66 -11.387 -9.646 -9.953 1.00 1.20 H new ATOM 0 HA SER A 66 -13.457 -7.794 -10.476 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.626 -10.208 -12.111 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.419 -8.758 -12.695 1.00 1.45 H new ATOM 0 HG SER A 66 -11.129 -8.718 -13.068 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.345 -10.886 -9.883 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.465 -11.750 -9.536 1.00 1.08 C ATOM 1052 C ASP A 67 -15.809 -11.587 -8.060 1.00 0.97 C ATOM 1053 O ASP A 67 -16.969 -11.675 -7.660 1.00 1.01 O ATOM 1054 CB ASP A 67 -15.101 -13.205 -9.843 1.00 1.18 C ATOM 1055 CG ASP A 67 -16.201 -14.185 -9.489 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -17.194 -14.270 -10.243 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -16.061 -14.898 -8.474 1.00 2.72 O ATOM 0 H ASP A 67 -13.431 -11.321 -9.761 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.337 -11.471 -10.127 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.868 -13.298 -10.904 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -14.197 -13.470 -9.294 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.784 -11.320 -7.258 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.941 -11.168 -5.820 1.00 0.85 C ATOM 1064 C LEU A 68 -15.797 -9.967 -5.453 1.00 0.76 C ATOM 1065 O LEU A 68 -16.392 -9.952 -4.385 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.579 -11.065 -5.135 1.00 0.91 C ATOM 1067 CG LEU A 68 -13.025 -12.383 -4.583 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -13.220 -13.519 -5.569 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.560 -12.225 -4.223 1.00 1.56 C ATOM 0 H LEU A 68 -13.825 -11.204 -7.587 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.458 -12.060 -5.466 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.862 -10.658 -5.848 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.655 -10.350 -4.316 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.581 -12.635 -3.680 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.817 -14.440 -5.148 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -14.284 -13.648 -5.770 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.700 -13.287 -6.499 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -11.178 -13.168 -3.832 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.995 -11.945 -5.112 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.453 -11.448 -3.466 1.00 1.56 H new ATOM 1081 N THR A 69 -15.872 -8.963 -6.316 1.00 0.70 N ATOM 1082 CA THR A 69 -16.725 -7.811 -6.040 1.00 0.62 C ATOM 1083 C THR A 69 -18.182 -8.235 -5.924 1.00 0.63 C ATOM 1084 O THR A 69 -18.975 -7.594 -5.234 1.00 0.60 O ATOM 1085 CB THR A 69 -16.582 -6.720 -7.107 1.00 0.62 C ATOM 1086 OG1 THR A 69 -16.461 -7.315 -8.401 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.378 -5.844 -6.817 1.00 0.63 C ATOM 0 H THR A 69 -15.363 -8.920 -7.199 1.00 0.70 H new ATOM 0 HA THR A 69 -16.396 -7.392 -5.089 1.00 0.62 H new ATOM 0 HB THR A 69 -17.474 -6.094 -7.087 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.371 -6.612 -9.077 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.293 -5.076 -7.586 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.499 -5.371 -5.843 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.476 -6.455 -6.814 1.00 0.63 H new ATOM 1095 N SER A 70 -18.516 -9.337 -6.581 1.00 0.72 N ATOM 1096 CA SER A 70 -19.820 -9.949 -6.433 1.00 0.80 C ATOM 1097 C SER A 70 -19.913 -10.608 -5.062 1.00 0.76 C ATOM 1098 O SER A 70 -20.942 -10.540 -4.392 1.00 0.76 O ATOM 1099 CB SER A 70 -20.031 -10.993 -7.530 1.00 0.96 C ATOM 1100 OG SER A 70 -21.342 -11.533 -7.488 1.00 1.34 O ATOM 0 H SER A 70 -17.894 -9.825 -7.225 1.00 0.72 H new ATOM 0 HA SER A 70 -20.593 -9.186 -6.521 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.854 -10.539 -8.505 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.302 -11.795 -7.415 1.00 0.96 H new ATOM 0 HG SER A 70 -21.446 -12.196 -8.202 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.811 -11.229 -4.648 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.723 -11.882 -3.349 1.00 0.77 C ATOM 1108 C GLN A 71 -18.870 -10.857 -2.231 1.00 0.67 C ATOM 1109 O GLN A 71 -19.704 -11.003 -1.336 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.375 -12.597 -3.199 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.042 -13.555 -4.318 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.050 -14.613 -3.877 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -15.233 -14.279 -2.890 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -16.028 -15.725 -4.401 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.958 -11.292 -5.203 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.529 -12.613 -3.282 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.587 -11.847 -3.134 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.372 -13.145 -2.257 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.955 -14.036 -4.668 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.631 -13.000 -5.161 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.674 -15.944 -5.159 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.364 -16.428 -4.077 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.056 -9.811 -2.305 1.00 0.59 N ATOM 1124 CA LEU A 72 -18.069 -8.751 -1.311 1.00 0.55 C ATOM 1125 C LEU A 72 -19.374 -7.968 -1.383 1.00 0.47 C ATOM 1126 O LEU A 72 -19.874 -7.489 -0.369 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.886 -7.793 -1.529 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.488 -8.405 -1.375 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.706 -8.290 -2.677 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.729 -7.728 -0.243 1.00 1.35 C ATOM 0 H LEU A 72 -17.374 -9.676 -3.051 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.981 -9.210 -0.327 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.967 -7.369 -2.530 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.979 -6.967 -0.824 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.604 -9.461 -1.132 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.717 -8.730 -2.547 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.237 -8.819 -3.468 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.603 -7.239 -2.948 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.740 -8.176 -0.149 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.627 -6.664 -0.458 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -15.276 -7.858 0.691 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.932 -7.880 -2.587 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.104 -7.047 -2.851 1.00 0.48 C ATOM 1144 C HIS A 73 -20.748 -5.588 -2.629 1.00 0.43 C ATOM 1145 O HIS A 73 -21.214 -4.946 -1.684 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.317 -7.436 -1.992 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.871 -8.798 -2.278 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -23.706 -9.067 -3.341 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -22.716 -9.970 -1.621 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -24.041 -10.344 -3.323 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.452 -10.912 -2.290 1.00 2.62 N ATOM 0 H HIS A 73 -19.587 -8.382 -3.405 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.393 -7.209 -3.889 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -22.032 -7.387 -0.941 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -23.105 -6.698 -2.144 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -22.122 -10.133 -0.734 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -24.687 -10.838 -4.033 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.531 -11.895 -2.030 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.867 -5.099 -3.485 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.427 -3.719 -3.459 1.00 0.41 C ATOM 1162 C ILE A 74 -20.601 -2.782 -3.710 1.00 0.49 C ATOM 1163 O ILE A 74 -21.234 -2.820 -4.766 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.332 -3.517 -4.512 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.184 -4.475 -4.217 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.838 -2.082 -4.522 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.402 -4.112 -2.976 1.00 0.39 C ATOM 0 H ILE A 74 -19.435 -5.655 -4.223 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.020 -3.487 -2.475 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.743 -3.726 -5.499 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.582 -5.483 -4.104 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.507 -4.493 -5.071 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.062 -1.970 -5.279 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.668 -1.413 -4.751 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.429 -1.831 -3.543 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.601 -4.836 -2.826 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.974 -3.116 -3.094 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.066 -4.122 -2.112 1.00 0.39 H new ATOM 1179 N THR A 75 -20.885 -1.962 -2.721 1.00 0.38 N ATOM 1180 CA THR A 75 -22.092 -1.169 -2.700 1.00 0.40 C ATOM 1181 C THR A 75 -21.865 0.007 -1.725 1.00 0.37 C ATOM 1182 O THR A 75 -20.719 0.227 -1.327 1.00 0.34 O ATOM 1183 CB THR A 75 -23.271 -2.099 -2.274 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.495 -1.719 -2.917 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.467 -2.118 -0.764 1.00 0.46 C ATOM 0 H THR A 75 -20.284 -1.827 -1.908 1.00 0.38 H new ATOM 0 HA THR A 75 -22.341 -0.749 -3.675 1.00 0.40 H new ATOM 0 HB THR A 75 -23.002 -3.105 -2.595 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.215 -2.320 -2.632 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.298 -2.778 -0.513 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.558 -2.480 -0.284 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.686 -1.110 -0.413 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.904 0.823 -1.404 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.925 1.750 -0.266 1.00 0.37 C ATOM 1195 C PRO A 76 -22.086 1.311 0.945 1.00 0.35 C ATOM 1196 O PRO A 76 -21.660 0.164 1.033 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.411 1.784 0.105 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.157 1.295 -1.101 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.138 0.989 -2.167 1.00 0.44 C ATOM 0 HA PRO A 76 -22.486 2.709 -0.539 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.611 1.150 0.969 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.722 2.794 0.372 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.738 0.405 -0.858 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.862 2.050 -1.449 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.394 0.087 -2.722 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.058 1.798 -2.893 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.870 2.269 1.857 1.00 0.36 N ATOM 1208 CA GLY A 77 -21.011 2.120 3.047 1.00 0.37 C ATOM 1209 C GLY A 77 -20.875 0.719 3.639 1.00 0.38 C ATOM 1210 O GLY A 77 -19.840 0.400 4.228 1.00 0.40 O ATOM 0 H GLY A 77 -22.297 3.193 1.789 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.013 2.476 2.790 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.395 2.780 3.825 1.00 0.37 H new ATOM 1214 N THR A 78 -21.890 -0.115 3.496 1.00 0.40 N ATOM 1215 CA THR A 78 -21.846 -1.476 3.998 1.00 0.42 C ATOM 1216 C THR A 78 -20.834 -2.346 3.239 1.00 0.38 C ATOM 1217 O THR A 78 -20.661 -3.527 3.542 1.00 0.40 O ATOM 1218 CB THR A 78 -23.242 -2.109 3.956 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.831 -1.922 2.659 1.00 0.50 O ATOM 1220 CG2 THR A 78 -24.120 -1.469 5.012 1.00 0.56 C ATOM 0 H THR A 78 -22.764 0.131 3.031 1.00 0.40 H new ATOM 0 HA THR A 78 -21.510 -1.426 5.034 1.00 0.42 H new ATOM 0 HB THR A 78 -23.155 -3.177 4.153 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.721 -2.331 2.642 1.00 0.50 H new ATOM 0 HG21 THR A 78 -25.112 -1.919 4.982 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.679 -1.627 5.996 1.00 0.56 H new ATOM 0 HG23 THR A 78 -24.201 -0.399 4.819 1.00 0.56 H new ATOM 1228 N ALA A 79 -20.140 -1.743 2.273 1.00 0.34 N ATOM 1229 CA ALA A 79 -19.024 -2.394 1.602 1.00 0.31 C ATOM 1230 C ALA A 79 -17.826 -2.475 2.537 1.00 0.30 C ATOM 1231 O ALA A 79 -16.871 -3.202 2.282 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.651 -1.651 0.329 1.00 0.32 C ATOM 0 H ALA A 79 -20.336 -0.799 1.939 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.329 -3.405 1.329 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.815 -2.156 -0.155 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.506 -1.635 -0.347 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.364 -0.629 0.575 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.890 -1.721 3.628 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.856 -1.762 4.654 1.00 0.36 C ATOM 1240 C TYR A 80 -17.003 -3.031 5.474 1.00 0.36 C ATOM 1241 O TYR A 80 -16.050 -3.503 6.081 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.941 -0.517 5.548 1.00 0.44 C ATOM 1243 CG TYR A 80 -16.026 -0.545 6.756 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -14.645 -0.535 6.600 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.538 -0.578 8.048 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -13.801 -0.558 7.691 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -15.697 -0.600 9.147 1.00 2.52 C ATOM 1248 CZ TYR A 80 -14.361 -0.604 8.985 1.00 3.12 C ATOM 1249 OH TYR A 80 -13.488 -0.614 10.050 1.00 4.13 O ATOM 0 H TYR A 80 -18.651 -1.071 3.825 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.875 -1.766 4.178 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.703 0.362 4.949 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.969 -0.401 5.890 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -14.225 -0.509 5.606 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -17.608 -0.587 8.196 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -12.730 -0.541 7.557 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -16.116 -0.614 10.142 1.00 2.52 H new ATOM 0 HH TYR A 80 -13.332 0.305 10.354 1.00 4.13 H new ATOM 1259 N GLN A 81 -18.201 -3.593 5.464 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.444 -4.872 6.114 1.00 0.41 C ATOM 1261 C GLN A 81 -18.029 -6.000 5.189 1.00 0.41 C ATOM 1262 O GLN A 81 -17.666 -7.093 5.623 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.914 -5.013 6.503 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.286 -4.230 7.749 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.768 -4.282 8.046 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.245 -5.178 8.742 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.503 -3.317 7.526 1.00 0.79 N ATOM 0 H GLN A 81 -19.020 -3.185 5.014 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.850 -4.921 7.027 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.536 -4.677 5.673 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -20.140 -6.067 6.664 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.734 -4.626 8.601 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.980 -3.191 7.626 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -22.065 -2.594 6.955 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.509 -3.294 7.695 1.00 0.79 H new ATOM 1276 N SER A 82 -18.097 -5.712 3.911 1.00 0.39 N ATOM 1277 CA SER A 82 -17.587 -6.595 2.883 1.00 0.41 C ATOM 1278 C SER A 82 -16.069 -6.618 2.941 1.00 0.41 C ATOM 1279 O SER A 82 -15.446 -7.674 3.027 1.00 0.48 O ATOM 1280 CB SER A 82 -18.046 -6.080 1.525 1.00 0.41 C ATOM 1281 OG SER A 82 -19.427 -5.758 1.543 1.00 0.43 O ATOM 0 H SER A 82 -18.511 -4.852 3.550 1.00 0.39 H new ATOM 0 HA SER A 82 -17.962 -7.607 3.039 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.467 -5.198 1.252 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.855 -6.835 0.762 1.00 0.41 H new ATOM 0 HG SER A 82 -19.920 -6.400 0.991 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.487 -5.427 2.913 1.00 0.38 N ATOM 1288 CA PHE A 83 -14.049 -5.269 3.003 1.00 0.37 C ATOM 1289 C PHE A 83 -13.559 -5.705 4.381 1.00 0.38 C ATOM 1290 O PHE A 83 -12.404 -6.086 4.540 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.669 -3.811 2.718 1.00 0.36 C ATOM 1292 CG PHE A 83 -12.191 -3.539 2.736 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -11.347 -4.184 1.847 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.648 -2.645 3.643 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.989 -3.941 1.864 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.290 -2.396 3.664 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.463 -3.026 2.765 1.00 1.18 C ATOM 0 H PHE A 83 -15.999 -4.549 2.828 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.567 -5.902 2.258 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -14.066 -3.529 1.743 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -14.153 -3.171 3.456 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.756 -4.884 1.134 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.294 -2.136 4.343 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -9.337 -4.461 1.178 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.878 -1.707 4.386 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.405 -2.809 2.760 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.460 -5.676 5.360 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.145 -6.075 6.730 1.00 0.48 C ATOM 1309 C GLU A 84 -13.580 -7.480 6.763 1.00 0.52 C ATOM 1310 O GLU A 84 -12.555 -7.739 7.391 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.394 -6.028 7.599 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.128 -6.360 9.049 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.279 -5.998 9.959 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.353 -4.832 10.396 1.00 0.80 O ATOM 1315 OE2 GLU A 84 -17.112 -6.879 10.250 1.00 0.78 O ATOM 0 H GLU A 84 -15.426 -5.376 5.227 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.403 -5.377 7.116 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.834 -5.033 7.536 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.130 -6.727 7.203 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.922 -7.426 9.140 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.232 -5.833 9.378 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.281 -8.370 6.080 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.876 -9.759 5.910 1.00 0.65 C ATOM 1324 C GLN A 85 -12.419 -9.874 5.506 1.00 0.64 C ATOM 1325 O GLN A 85 -11.736 -10.844 5.833 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.732 -10.383 4.820 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.204 -10.282 5.108 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.072 -10.939 4.051 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.741 -10.943 2.867 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.183 -11.513 4.476 1.00 1.62 N ATOM 0 H GLN A 85 -15.163 -8.145 5.620 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.008 -10.272 6.863 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.517 -9.893 3.870 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.460 -11.432 4.706 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.410 -10.743 6.074 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.479 -9.231 5.191 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.423 -11.488 5.467 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.801 -11.981 3.813 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.953 -8.865 4.809 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.637 -8.892 4.234 1.00 0.62 C ATOM 1341 C VAL A 86 -9.629 -8.319 5.208 1.00 0.55 C ATOM 1342 O VAL A 86 -8.599 -8.912 5.472 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.568 -8.077 2.948 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.432 -8.611 2.122 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.886 -8.124 2.191 1.00 1.30 C ATOM 0 H VAL A 86 -12.475 -8.008 4.627 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.408 -9.934 4.011 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.390 -7.027 3.180 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.360 -8.045 1.194 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.500 -8.515 2.679 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.611 -9.662 1.893 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.803 -7.533 1.279 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -12.121 -9.157 1.934 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.680 -7.716 2.817 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.932 -7.152 5.746 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.063 -6.540 6.742 1.00 0.51 C ATOM 1357 C VAL A 87 -8.800 -7.540 7.841 1.00 0.56 C ATOM 1358 O VAL A 87 -7.708 -7.644 8.397 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.712 -5.341 7.430 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -8.702 -4.240 7.640 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -10.940 -4.858 6.700 1.00 0.85 C ATOM 0 H VAL A 87 -10.765 -6.611 5.515 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.162 -6.224 6.216 1.00 0.51 H new ATOM 0 HB VAL A 87 -10.057 -5.668 8.411 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -9.183 -3.394 8.131 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -7.888 -4.608 8.264 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -8.305 -3.922 6.676 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -11.365 -4.005 7.228 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -10.668 -4.559 5.688 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -11.676 -5.661 6.656 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.858 -8.256 8.136 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.875 -9.236 9.178 1.00 0.71 C ATOM 1373 C ASN A 88 -8.893 -10.378 8.912 1.00 0.78 C ATOM 1374 O ASN A 88 -8.157 -10.765 9.814 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.300 -9.732 9.357 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.005 -9.006 10.485 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.987 -9.453 11.633 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.627 -7.878 10.171 1.00 0.73 N ATOM 0 H ASN A 88 -10.747 -8.166 7.644 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.539 -8.776 10.107 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.855 -9.590 8.429 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.290 -10.802 9.562 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.114 -7.346 10.892 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.618 -7.542 9.208 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.833 -10.897 7.679 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.868 -11.945 7.372 1.00 0.84 C ATOM 1387 C GLU A 89 -6.480 -11.366 7.436 1.00 0.82 C ATOM 1388 O GLU A 89 -5.520 -12.007 7.883 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.115 -12.569 5.991 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.241 -11.602 4.841 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.939 -11.066 4.289 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.881 -11.488 4.779 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.971 -10.226 3.376 1.00 2.87 O ATOM 0 H GLU A 89 -9.427 -10.614 6.900 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.981 -12.740 8.109 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.298 -13.256 5.774 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.027 -13.164 6.041 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.781 -12.095 4.033 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.852 -10.759 5.164 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.422 -10.115 7.029 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.192 -9.449 6.718 1.00 0.64 C ATOM 1402 C LEU A 90 -4.336 -9.255 7.961 1.00 0.70 C ATOM 1403 O LEU A 90 -3.111 -9.161 7.872 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.545 -8.106 6.095 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.833 -7.727 4.795 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.340 -8.924 4.020 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.782 -6.928 3.932 1.00 1.28 C ATOM 0 H LEU A 90 -7.248 -9.529 6.906 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.607 -10.054 6.025 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.619 -8.093 5.908 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.340 -7.328 6.831 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.955 -7.140 5.064 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.844 -8.589 3.109 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.634 -9.487 4.631 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.185 -9.562 3.760 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.284 -6.653 3.002 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.663 -7.529 3.707 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.084 -6.025 4.463 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.979 -9.221 9.127 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.267 -8.884 10.348 1.00 0.82 C ATOM 1421 C PHE A 91 -4.086 -10.094 11.252 1.00 0.91 C ATOM 1422 O PHE A 91 -3.053 -10.250 11.902 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.974 -7.747 11.107 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.053 -8.200 12.053 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.319 -8.509 11.589 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.793 -8.316 13.409 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.306 -8.927 12.459 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.777 -8.732 14.282 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.035 -9.039 13.807 1.00 2.23 C ATOM 0 H PHE A 91 -5.972 -9.419 9.247 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.276 -8.540 10.053 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.228 -7.185 11.670 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.410 -7.060 10.382 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.538 -8.422 10.535 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -4.810 -8.078 13.787 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.290 -9.166 12.084 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -6.562 -8.817 15.337 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.806 -9.366 14.489 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.075 -10.961 11.265 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.101 -12.061 12.211 1.00 1.11 C ATOM 1441 C ARG A 92 -4.120 -13.142 11.802 1.00 0.83 C ATOM 1442 O ARG A 92 -3.482 -13.783 12.634 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.508 -12.636 12.261 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.885 -13.372 10.991 1.00 1.62 C ATOM 1445 CD ARG A 92 -8.376 -13.445 10.798 1.00 2.21 C ATOM 1446 NE ARG A 92 -9.021 -14.351 11.750 1.00 3.27 N ATOM 1447 CZ ARG A 92 -10.322 -14.658 11.745 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -11.128 -14.171 10.809 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -10.810 -15.475 12.669 1.00 5.06 N ATOM 0 H ARG A 92 -5.874 -10.927 10.631 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.813 -11.692 13.195 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.588 -13.317 13.108 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.220 -11.829 12.433 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.434 -12.871 10.135 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.474 -14.381 11.022 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.802 -12.447 10.905 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.592 -13.777 9.782 1.00 2.21 H new ATOM 0 HE ARG A 92 -8.436 -14.778 12.468 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.756 -13.557 10.085 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -12.119 -14.411 10.814 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -10.193 -15.867 13.380 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -11.802 -15.711 12.668 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.998 -13.315 10.502 1.00 0.84 N ATOM 1464 CA ASP A 93 -3.284 -14.443 9.948 1.00 1.10 C ATOM 1465 C ASP A 93 -1.791 -14.167 9.792 1.00 1.31 C ATOM 1466 O ASP A 93 -1.060 -15.011 9.276 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.903 -14.820 8.600 1.00 1.65 C ATOM 1468 CG ASP A 93 -3.494 -16.197 8.123 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.982 -17.194 8.689 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -2.673 -16.284 7.184 1.00 3.12 O ATOM 0 H ASP A 93 -4.389 -12.681 9.805 1.00 0.84 H new ATOM 0 HA ASP A 93 -3.377 -15.275 10.646 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.989 -14.778 8.681 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.610 -14.082 7.853 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.309 -13.009 10.243 1.00 1.11 N ATOM 1476 CA GLY A 94 0.110 -12.776 10.093 1.00 1.69 C ATOM 1477 C GLY A 94 0.492 -11.447 9.461 1.00 1.62 C ATOM 1478 O GLY A 94 0.958 -11.434 8.319 1.00 2.31 O ATOM 0 H GLY A 94 -1.847 -12.265 10.687 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.577 -12.838 11.076 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.531 -13.580 9.489 1.00 1.69 H new ATOM 1482 N VAL A 95 0.296 -10.329 10.160 1.00 0.85 N ATOM 1483 CA VAL A 95 0.635 -9.027 9.577 1.00 0.67 C ATOM 1484 C VAL A 95 2.139 -8.863 9.454 1.00 0.62 C ATOM 1485 O VAL A 95 2.855 -8.581 10.412 1.00 0.61 O ATOM 1486 CB VAL A 95 0.123 -7.827 10.399 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.521 -6.516 9.727 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.371 -7.886 10.586 1.00 1.06 C ATOM 0 H VAL A 95 -0.085 -10.294 11.105 1.00 0.85 H new ATOM 0 HA VAL A 95 0.145 -9.025 8.603 1.00 0.67 H new ATOM 0 HB VAL A 95 0.586 -7.875 11.385 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.153 -5.678 10.318 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.607 -6.460 9.654 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.088 -6.473 8.728 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.699 -7.026 11.169 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.860 -7.872 9.612 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.636 -8.803 11.112 1.00 1.06 H new ATOM 1498 N ASN A 96 2.590 -9.107 8.256 1.00 0.76 N ATOM 1499 CA ASN A 96 3.931 -8.780 7.832 1.00 0.86 C ATOM 1500 C ASN A 96 3.841 -7.596 6.887 1.00 0.72 C ATOM 1501 O ASN A 96 2.737 -7.119 6.609 1.00 0.62 O ATOM 1502 CB ASN A 96 4.588 -9.981 7.134 1.00 1.17 C ATOM 1503 CG ASN A 96 3.640 -10.721 6.203 1.00 1.47 C ATOM 1504 OD1 ASN A 96 2.673 -10.011 5.640 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 3.773 -11.923 5.993 1.00 1.67 N flip ATOM 0 H ASN A 96 2.027 -9.548 7.528 1.00 0.76 H new ATOM 0 HA ASN A 96 4.548 -8.529 8.695 1.00 0.86 H new ATOM 0 HB2 ASN A 96 5.451 -9.635 6.565 1.00 1.17 H new ATOM 0 HB3 ASN A 96 4.961 -10.673 7.889 1.00 1.17 H new ATOM 0 HD21 ASN A 96 4.529 -12.439 6.443 1.00 1.67 H new ATOM 0 HD22 ASN A 96 3.128 -12.406 5.368 1.00 1.67 H new ATOM 1512 N TRP A 97 4.974 -7.155 6.370 1.00 0.77 N ATOM 1513 CA TRP A 97 5.018 -6.023 5.447 1.00 0.72 C ATOM 1514 C TRP A 97 3.999 -6.182 4.310 1.00 0.63 C ATOM 1515 O TRP A 97 3.318 -5.228 3.936 1.00 0.59 O ATOM 1516 CB TRP A 97 6.429 -5.892 4.867 1.00 0.86 C ATOM 1517 CG TRP A 97 7.504 -5.793 5.910 1.00 0.68 C ATOM 1518 CD1 TRP A 97 7.982 -4.655 6.494 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.241 -6.880 6.486 1.00 1.43 C ATOM 1520 NE1 TRP A 97 8.969 -4.968 7.398 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.145 -6.326 7.412 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.222 -8.267 6.310 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.021 -7.110 8.158 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.092 -9.043 7.052 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.980 -8.463 7.965 1.00 3.34 C ATOM 0 H TRP A 97 5.886 -7.564 6.573 1.00 0.77 H new ATOM 0 HA TRP A 97 4.759 -5.121 6.002 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.632 -6.753 4.230 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.470 -5.008 4.231 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.635 -3.655 6.277 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.486 -4.297 7.966 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.540 -8.723 5.607 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.708 -6.666 8.863 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.087 -10.116 6.925 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.647 -9.098 8.529 1.00 3.34 H new ATOM 1536 N GLY A 98 3.881 -7.405 3.795 1.00 0.69 N ATOM 1537 CA GLY A 98 3.027 -7.669 2.646 1.00 0.69 C ATOM 1538 C GLY A 98 1.541 -7.444 2.896 1.00 0.62 C ATOM 1539 O GLY A 98 0.848 -6.901 2.039 1.00 0.61 O ATOM 0 H GLY A 98 4.367 -8.225 4.157 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.344 -7.032 1.820 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.177 -8.701 2.328 1.00 0.69 H new ATOM 1543 N ARG A 99 1.052 -7.856 4.064 1.00 0.65 N ATOM 1544 CA ARG A 99 -0.383 -7.781 4.369 1.00 0.67 C ATOM 1545 C ARG A 99 -0.888 -6.352 4.277 1.00 0.53 C ATOM 1546 O ARG A 99 -1.950 -6.088 3.725 1.00 0.55 O ATOM 1547 CB ARG A 99 -0.678 -8.309 5.774 1.00 0.82 C ATOM 1548 CG ARG A 99 -0.358 -9.777 5.972 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.197 -10.674 5.082 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.928 -12.081 5.356 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.828 -12.933 5.839 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.097 -12.555 5.996 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -1.454 -14.171 6.140 1.00 4.24 N ATOM 0 H ARG A 99 1.623 -8.244 4.815 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.895 -8.399 3.631 1.00 0.67 H new ATOM 0 HB2 ARG A 99 -0.107 -7.725 6.496 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -1.733 -8.147 5.996 1.00 0.82 H new ATOM 0 HG2 ARG A 99 0.698 -9.948 5.764 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -0.525 -10.045 7.015 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.255 -10.464 5.242 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.984 -10.456 4.036 1.00 1.50 H new ATOM 0 HE ARG A 99 0.010 -12.434 5.165 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.382 -11.608 5.745 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.783 -13.213 6.367 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -0.486 -14.459 6.000 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.135 -14.833 6.511 1.00 4.24 H new ATOM 1567 N ILE A 100 -0.108 -5.438 4.818 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.488 -4.040 4.871 1.00 0.36 C ATOM 1569 C ILE A 100 -0.490 -3.431 3.474 1.00 0.33 C ATOM 1570 O ILE A 100 -1.389 -2.670 3.121 1.00 0.34 O ATOM 1571 CB ILE A 100 0.456 -3.281 5.814 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.368 -3.920 7.198 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.100 -1.805 5.872 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.297 -3.316 8.216 1.00 0.34 C ATOM 0 H ILE A 100 0.802 -5.641 5.231 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.502 -3.959 5.263 1.00 0.36 H new ATOM 0 HB ILE A 100 1.478 -3.347 5.442 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.656 -3.834 7.561 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.587 -4.984 7.109 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.785 -1.292 6.547 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.181 -1.372 4.875 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.921 -1.691 6.235 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.172 -3.826 9.171 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.328 -3.426 7.878 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.065 -2.258 8.337 1.00 0.34 H new ATOM 1586 N VAL A 101 0.511 -3.789 2.682 1.00 0.33 N ATOM 1587 CA VAL A 101 0.537 -3.435 1.268 1.00 0.35 C ATOM 1588 C VAL A 101 -0.740 -3.908 0.594 1.00 0.37 C ATOM 1589 O VAL A 101 -1.447 -3.133 -0.046 1.00 0.45 O ATOM 1590 CB VAL A 101 1.731 -4.087 0.555 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.751 -3.715 -0.915 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.023 -3.695 1.235 1.00 1.32 C ATOM 0 H VAL A 101 1.319 -4.327 2.995 1.00 0.33 H new ATOM 0 HA VAL A 101 0.627 -2.351 1.199 1.00 0.35 H new ATOM 0 HB VAL A 101 1.626 -5.170 0.619 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.605 -4.189 -1.399 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.831 -4.056 -1.389 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.831 -2.633 -1.015 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.862 -4.164 0.720 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.137 -2.611 1.203 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.003 -4.027 2.273 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.009 -5.196 0.745 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.218 -5.816 0.209 1.00 0.39 C ATOM 1604 C ALA A 102 -3.467 -5.062 0.642 1.00 0.35 C ATOM 1605 O ALA A 102 -4.353 -4.788 -0.168 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.305 -7.256 0.671 1.00 0.44 C ATOM 0 H ALA A 102 -0.397 -5.843 1.242 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.161 -5.781 -0.879 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.209 -7.713 0.268 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.432 -7.805 0.318 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.337 -7.287 1.760 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.519 -4.731 1.923 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.624 -3.978 2.498 1.00 0.34 C ATOM 1614 C PHE A 103 -4.845 -2.661 1.752 1.00 0.31 C ATOM 1615 O PHE A 103 -5.983 -2.263 1.503 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.346 -3.743 3.988 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.242 -2.735 4.648 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.586 -2.998 4.837 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.730 -1.527 5.089 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.405 -2.072 5.453 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.543 -0.598 5.705 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.883 -0.872 5.887 1.00 1.49 C ATOM 0 H PHE A 103 -2.793 -4.978 2.596 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.545 -4.553 2.395 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.442 -4.693 4.515 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.312 -3.418 4.103 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -7.000 -3.937 4.500 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.681 -1.309 4.949 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.454 -2.288 5.595 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -5.132 0.341 6.044 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.522 -0.147 6.369 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.760 -1.999 1.369 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.860 -0.762 0.604 1.00 0.40 C ATOM 1634 C PHE A 104 -4.153 -1.046 -0.861 1.00 0.39 C ATOM 1635 O PHE A 104 -4.887 -0.305 -1.508 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.581 0.064 0.724 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.312 0.532 2.120 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -3.312 1.129 2.864 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -1.066 0.367 2.691 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -3.074 1.555 4.151 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.821 0.792 3.980 1.00 2.61 C ATOM 1642 CZ PHE A 104 -1.827 1.386 4.709 1.00 3.29 C ATOM 0 H PHE A 104 -2.806 -2.296 1.574 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.688 -0.188 1.022 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.737 -0.533 0.378 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.651 0.929 0.065 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -4.292 1.263 2.430 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.275 -0.100 2.123 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -3.864 2.021 4.722 1.00 2.90 H new ATOM 0 HE2 PHE A 104 0.158 0.659 4.417 1.00 2.61 H new ATOM 0 HZ PHE A 104 -1.638 1.719 5.719 1.00 3.29 H new ATOM 1652 N SER A 105 -3.587 -2.128 -1.372 1.00 0.37 N ATOM 1653 CA SER A 105 -3.778 -2.506 -2.763 1.00 0.44 C ATOM 1654 C SER A 105 -5.243 -2.831 -3.036 1.00 0.40 C ATOM 1655 O SER A 105 -5.829 -2.341 -3.999 1.00 0.45 O ATOM 1656 CB SER A 105 -2.893 -3.705 -3.106 1.00 0.50 C ATOM 1657 OG SER A 105 -1.534 -3.435 -2.801 1.00 1.19 O ATOM 0 H SER A 105 -2.989 -2.762 -0.842 1.00 0.37 H new ATOM 0 HA SER A 105 -3.492 -1.665 -3.394 1.00 0.44 H new ATOM 0 HB2 SER A 105 -3.228 -4.580 -2.549 1.00 0.50 H new ATOM 0 HB3 SER A 105 -2.992 -3.944 -4.165 1.00 0.50 H new ATOM 0 HG SER A 105 -1.422 -3.378 -1.829 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.832 -3.635 -2.164 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.217 -4.048 -2.322 1.00 0.37 C ATOM 1665 C PHE A 106 -8.161 -2.970 -1.803 1.00 0.31 C ATOM 1666 O PHE A 106 -9.279 -2.829 -2.287 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.444 -5.370 -1.593 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.756 -6.033 -1.907 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.941 -6.691 -3.113 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.801 -6.004 -0.999 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -10.143 -7.306 -3.405 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.005 -6.617 -1.286 1.00 2.53 C ATOM 1673 CZ PHE A 106 -11.176 -7.269 -2.491 1.00 2.89 C ATOM 0 H PHE A 106 -5.370 -4.015 -1.338 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.428 -4.191 -3.382 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.635 -6.055 -1.846 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.388 -5.193 -0.519 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -8.136 -6.723 -3.833 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.673 -5.496 -0.055 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -10.274 -7.816 -4.348 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.812 -6.586 -0.569 1.00 2.53 H new ATOM 0 HZ PHE A 106 -12.116 -7.749 -2.718 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.700 -2.206 -0.821 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.476 -1.086 -0.326 1.00 0.28 C ATOM 1685 C GLY A 107 -8.592 0.004 -1.367 1.00 0.24 C ATOM 1686 O GLY A 107 -9.683 0.506 -1.644 1.00 0.27 O ATOM 0 H GLY A 107 -6.801 -2.342 -0.358 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.471 -1.428 -0.042 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.008 -0.685 0.573 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.459 0.353 -1.964 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.450 1.324 -3.035 1.00 0.22 C ATOM 1692 C GLY A 108 -8.197 0.818 -4.246 1.00 0.22 C ATOM 1693 O GLY A 108 -8.761 1.595 -5.015 1.00 0.23 O ATOM 0 H GLY A 108 -6.542 -0.023 -1.722 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.902 2.253 -2.689 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.421 1.554 -3.311 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.210 -0.498 -4.407 1.00 0.24 N ATOM 1698 CA ALA A 109 -8.951 -1.122 -5.483 1.00 0.26 C ATOM 1699 C ALA A 109 -10.437 -1.108 -5.176 1.00 0.27 C ATOM 1700 O ALA A 109 -11.258 -0.975 -6.078 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.472 -2.547 -5.715 1.00 0.29 C ATOM 0 H ALA A 109 -7.713 -1.152 -3.802 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.776 -0.551 -6.395 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.043 -2.995 -6.528 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.414 -2.537 -5.977 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.615 -3.131 -4.806 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.780 -1.210 -3.893 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.173 -1.229 -3.483 1.00 0.28 C ATOM 1709 C LEU A 110 -12.790 0.123 -3.735 1.00 0.24 C ATOM 1710 O LEU A 110 -13.967 0.248 -4.073 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.308 -1.543 -2.016 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.559 -2.337 -1.706 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -13.178 -3.703 -1.195 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -14.459 -1.598 -0.746 1.00 1.12 C ATOM 0 H LEU A 110 -10.111 -1.280 -3.126 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.680 -2.002 -4.061 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.434 -2.105 -1.686 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.322 -0.613 -1.448 1.00 0.32 H new ATOM 0 HG LEU A 110 -14.134 -2.466 -2.623 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -14.080 -4.273 -0.972 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -12.596 -4.226 -1.954 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -12.582 -3.599 -0.289 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -15.347 -2.197 -0.546 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.925 -1.417 0.187 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -14.755 -0.645 -1.185 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.970 1.129 -3.518 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.297 2.488 -3.868 1.00 0.19 C ATOM 1728 C CYS A 111 -12.798 2.538 -5.300 1.00 0.20 C ATOM 1729 O CYS A 111 -13.880 3.056 -5.576 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.043 3.328 -3.703 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.182 5.015 -4.306 1.00 0.22 S ATOM 0 H CYS A 111 -11.050 1.022 -3.090 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.085 2.877 -3.223 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.777 3.355 -2.646 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.222 2.837 -4.225 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.072 5.651 -4.075 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.027 1.943 -6.198 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.411 1.868 -7.592 1.00 0.22 C ATOM 1739 C VAL A 112 -13.634 0.971 -7.774 1.00 0.22 C ATOM 1740 O VAL A 112 -14.475 1.242 -8.624 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.263 1.349 -8.477 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.727 1.208 -9.912 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.070 2.285 -8.406 1.00 0.27 C ATOM 0 H VAL A 112 -11.131 1.506 -5.982 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.656 2.883 -7.905 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.960 0.370 -8.106 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.905 0.840 -10.526 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.558 0.504 -9.958 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.053 2.179 -10.286 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.269 1.902 -9.038 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.364 3.276 -8.753 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.720 2.351 -7.376 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.747 -0.086 -6.966 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.914 -0.960 -7.026 1.00 0.28 C ATOM 1755 C GLU A 113 -16.178 -0.178 -6.734 1.00 0.23 C ATOM 1756 O GLU A 113 -17.256 -0.489 -7.241 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.781 -2.148 -6.082 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.661 -3.074 -6.506 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.467 -3.101 -8.017 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.284 -3.732 -8.719 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.488 -2.504 -8.512 1.00 2.51 O ATOM 0 H GLU A 113 -13.051 -0.353 -6.270 1.00 0.23 H new ATOM 0 HA GLU A 113 -14.976 -1.358 -8.039 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.594 -1.790 -5.070 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.720 -2.700 -6.056 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -12.733 -2.758 -6.029 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.874 -4.083 -6.152 1.00 0.53 H new ATOM 1768 N SER A 114 -16.026 0.866 -5.941 1.00 0.18 N ATOM 1769 CA SER A 114 -17.124 1.744 -5.621 1.00 0.19 C ATOM 1770 C SER A 114 -17.355 2.695 -6.784 1.00 0.22 C ATOM 1771 O SER A 114 -18.483 2.945 -7.183 1.00 0.28 O ATOM 1772 CB SER A 114 -16.806 2.514 -4.344 1.00 0.18 C ATOM 1773 OG SER A 114 -16.449 1.624 -3.301 1.00 0.20 O ATOM 0 H SER A 114 -15.141 1.124 -5.505 1.00 0.18 H new ATOM 0 HA SER A 114 -18.032 1.165 -5.455 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.990 3.213 -4.528 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.671 3.105 -4.045 1.00 0.18 H new ATOM 0 HG SER A 114 -15.583 1.213 -3.504 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.265 3.156 -7.372 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.312 4.114 -8.468 1.00 0.27 C ATOM 1781 C VAL A 115 -16.923 3.461 -9.688 1.00 0.28 C ATOM 1782 O VAL A 115 -17.641 4.085 -10.472 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.898 4.596 -8.818 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.920 5.562 -9.984 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.243 5.224 -7.608 1.00 1.10 C ATOM 0 H VAL A 115 -15.321 2.878 -7.105 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.917 4.966 -8.158 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.309 3.730 -9.120 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.903 5.885 -10.208 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.344 5.068 -10.858 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.528 6.429 -9.727 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.240 5.561 -7.871 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.836 6.075 -7.274 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.180 4.489 -6.806 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.622 2.187 -9.809 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.081 1.347 -10.894 1.00 0.34 C ATOM 1797 C ASP A 116 -18.597 1.382 -11.015 1.00 0.35 C ATOM 1798 O ASP A 116 -19.143 1.629 -12.090 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.617 -0.070 -10.608 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.849 -1.010 -11.773 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -15.987 -1.070 -12.673 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.887 -1.696 -11.792 1.00 0.60 O ATOM 0 H ASP A 116 -16.035 1.693 -9.137 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.671 1.709 -11.837 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.555 -0.057 -10.363 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.142 -0.449 -9.731 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.270 1.155 -9.893 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.726 1.159 -9.854 1.00 0.35 C ATOM 1809 C LYS A 117 -21.241 2.583 -9.639 1.00 0.34 C ATOM 1810 O LYS A 117 -22.417 2.789 -9.341 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.235 0.248 -8.727 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.264 -0.857 -8.317 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.917 -1.781 -9.467 1.00 0.45 C ATOM 1814 CE LYS A 117 -18.985 -2.897 -9.023 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.481 -3.685 -10.177 1.00 1.62 N ATOM 0 H LYS A 117 -18.827 0.965 -8.994 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.099 0.782 -10.807 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.457 0.861 -7.854 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.173 -0.209 -9.042 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.350 -0.407 -7.928 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.703 -1.439 -7.507 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.830 -2.210 -9.878 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.446 -1.208 -10.266 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.143 -2.472 -8.477 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.511 -3.557 -8.334 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -17.637 -4.221 -9.889 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -19.219 -4.345 -10.495 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.233 -3.041 -10.955 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.337 3.554 -9.794 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.643 4.969 -9.595 1.00 0.33 C ATOM 1831 C GLU A 118 -21.108 5.230 -8.172 1.00 0.31 C ATOM 1832 O GLU A 118 -22.154 5.834 -7.930 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.672 5.453 -10.614 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.171 5.355 -12.043 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.126 5.970 -13.034 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.063 7.201 -13.233 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -22.937 5.229 -13.621 1.00 1.88 O ATOM 0 H GLU A 118 -19.369 3.378 -10.062 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.727 5.539 -9.753 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.584 4.864 -10.512 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.935 6.488 -10.395 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.203 5.851 -12.120 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.013 4.307 -12.298 1.00 0.49 H new ATOM 1844 N MET A 119 -20.299 4.763 -7.240 1.00 0.26 N ATOM 1845 CA MET A 119 -20.537 4.933 -5.816 1.00 0.26 C ATOM 1846 C MET A 119 -19.297 5.572 -5.208 1.00 0.25 C ATOM 1847 O MET A 119 -18.806 5.161 -4.163 1.00 0.23 O ATOM 1848 CB MET A 119 -20.803 3.574 -5.162 1.00 0.25 C ATOM 1849 CG MET A 119 -21.892 2.764 -5.847 1.00 0.28 C ATOM 1850 SD MET A 119 -22.018 1.091 -5.193 1.00 0.31 S ATOM 1851 CE MET A 119 -20.299 0.590 -5.266 1.00 0.29 C ATOM 0 H MET A 119 -19.445 4.247 -7.452 1.00 0.26 H new ATOM 0 HA MET A 119 -21.409 5.566 -5.650 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.879 2.995 -5.161 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.082 3.731 -4.120 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.849 3.271 -5.726 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.689 2.719 -6.917 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.240 -0.495 -5.350 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.823 1.048 -6.133 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.787 0.912 -4.359 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.792 6.580 -5.899 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.540 7.237 -5.563 1.00 0.31 C ATOM 1863 C GLN A 120 -17.530 7.870 -4.168 1.00 0.32 C ATOM 1864 O GLN A 120 -16.491 8.321 -3.699 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.266 8.276 -6.633 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.267 7.666 -8.021 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.036 8.483 -9.040 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.561 7.811 -10.051 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.150 9.702 -8.928 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.248 6.971 -6.723 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.753 6.483 -5.532 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.021 9.061 -6.580 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.302 8.748 -6.444 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.237 7.553 -8.360 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.697 6.666 -7.969 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.730 10.183 -8.133 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -18.665 10.233 -9.631 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.672 7.903 -3.502 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.724 8.397 -2.133 1.00 0.35 C ATOM 1880 C VAL A 121 -17.963 7.464 -1.186 1.00 0.31 C ATOM 1881 O VAL A 121 -17.479 7.889 -0.137 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.172 8.557 -1.636 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.904 9.611 -2.453 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.901 7.226 -1.695 1.00 0.38 C ATOM 0 H VAL A 121 -19.568 7.597 -3.881 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.250 9.378 -2.134 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.148 8.889 -0.598 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.926 9.710 -2.087 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.390 10.567 -2.357 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.921 9.312 -3.501 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.924 7.355 -1.340 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.916 6.865 -2.723 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.387 6.501 -1.064 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.835 6.196 -1.578 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.113 5.213 -0.774 1.00 0.21 C ATOM 1896 C LEU A 122 -15.629 5.491 -0.813 1.00 0.19 C ATOM 1897 O LEU A 122 -14.913 5.140 0.113 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.356 3.781 -1.262 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.708 3.163 -0.906 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.997 3.344 0.570 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.814 3.755 -1.759 1.00 0.22 C ATOM 0 H LEU A 122 -18.222 5.827 -2.447 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.489 5.301 0.245 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.249 3.767 -2.347 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.571 3.143 -0.855 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.667 2.094 -1.116 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.963 2.899 0.809 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.218 2.856 1.156 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.018 4.407 0.809 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.766 3.300 -1.487 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.866 4.831 -1.592 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.606 3.560 -2.811 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.179 6.115 -1.891 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.776 6.473 -2.053 1.00 0.20 C ATOM 1915 C VAL A 123 -13.213 7.137 -0.792 1.00 0.22 C ATOM 1916 O VAL A 123 -12.219 6.674 -0.228 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.610 7.407 -3.266 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.183 7.929 -3.370 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.019 6.668 -4.536 1.00 0.23 C ATOM 0 H VAL A 123 -15.772 6.387 -2.675 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.212 5.555 -2.222 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.259 8.273 -3.135 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.098 8.585 -4.236 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.932 8.486 -2.467 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.496 7.090 -3.482 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.902 7.329 -5.395 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.387 5.789 -4.665 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.061 6.357 -4.457 1.00 0.23 H new ATOM 1929 N SER A 124 -13.865 8.198 -0.336 1.00 0.24 N ATOM 1930 CA SER A 124 -13.407 8.918 0.846 1.00 0.28 C ATOM 1931 C SER A 124 -13.633 8.085 2.110 1.00 0.27 C ATOM 1932 O SER A 124 -12.892 8.209 3.087 1.00 0.33 O ATOM 1933 CB SER A 124 -14.136 10.256 0.972 1.00 0.36 C ATOM 1934 OG SER A 124 -13.375 11.193 1.724 1.00 1.35 O ATOM 0 H SER A 124 -14.709 8.578 -0.764 1.00 0.24 H new ATOM 0 HA SER A 124 -12.339 9.104 0.735 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.334 10.659 -0.021 1.00 0.36 H new ATOM 0 HB3 SER A 124 -15.103 10.102 1.452 1.00 0.36 H new ATOM 0 HG SER A 124 -13.972 11.703 2.311 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.661 7.240 2.086 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.985 6.394 3.227 1.00 0.23 C ATOM 1942 C ARG A 125 -13.918 5.325 3.416 1.00 0.21 C ATOM 1943 O ARG A 125 -13.341 5.189 4.493 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.343 5.720 3.035 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.496 6.689 2.848 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.825 5.969 2.906 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.958 6.881 2.785 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.160 6.649 3.310 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.365 5.574 4.065 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.151 7.508 3.105 1.00 2.67 N ATOM 0 H ARG A 125 -15.284 7.124 1.286 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.024 7.029 4.112 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.291 5.063 2.167 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.549 5.090 3.900 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.460 7.456 3.622 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.396 7.198 1.889 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.870 5.230 2.106 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.899 5.425 3.847 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.821 7.749 2.267 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.600 4.923 4.244 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.287 5.400 4.465 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.992 8.346 2.545 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.071 7.330 3.507 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.665 4.575 2.355 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.670 3.515 2.373 1.00 0.19 C ATOM 1966 C ILE A 126 -11.312 4.066 2.795 1.00 0.20 C ATOM 1967 O ILE A 126 -10.703 3.560 3.734 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.571 2.824 0.992 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -13.956 2.288 0.594 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.548 1.699 1.033 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.056 1.757 -0.821 1.00 0.18 C ATOM 0 H ILE A 126 -14.142 4.683 1.460 1.00 0.19 H new ATOM 0 HA ILE A 126 -12.983 2.768 3.102 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.241 3.548 0.247 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.233 1.492 1.285 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.687 3.087 0.719 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.491 1.223 0.054 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.571 2.105 1.297 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.848 0.962 1.778 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.070 1.402 -1.006 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.816 2.553 -1.526 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.354 0.933 -0.951 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.863 5.128 2.131 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.570 5.733 2.444 1.00 0.24 C ATOM 1985 C ALA A 127 -9.496 6.178 3.903 1.00 0.24 C ATOM 1986 O ALA A 127 -8.431 6.129 4.528 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.294 6.908 1.525 1.00 0.27 C ATOM 0 H ALA A 127 -11.373 5.586 1.376 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.806 4.972 2.286 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.327 7.345 1.774 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.282 6.566 0.490 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.074 7.659 1.650 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.629 6.616 4.440 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.716 6.995 5.843 1.00 0.22 C ATOM 1995 C ALA A 128 -10.422 5.804 6.730 1.00 0.23 C ATOM 1996 O ALA A 128 -9.441 5.792 7.476 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.098 7.535 6.167 1.00 0.23 C ATOM 0 H ALA A 128 -11.502 6.717 3.922 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.977 7.774 6.028 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.142 7.813 7.220 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.299 8.412 5.552 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.845 6.769 5.962 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.268 4.795 6.611 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.187 3.614 7.447 1.00 0.35 C ATOM 2005 C TRP A 129 -9.868 2.874 7.248 1.00 0.25 C ATOM 2006 O TRP A 129 -9.336 2.292 8.188 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.363 2.687 7.159 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.685 3.247 7.590 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.619 3.851 6.801 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.218 3.254 8.920 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.698 4.237 7.557 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.478 3.878 8.861 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -13.752 2.792 10.154 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.276 4.050 9.988 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.545 2.964 11.271 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -15.795 3.588 11.182 1.00 3.91 C ATOM 0 H TRP A 129 -12.029 4.773 5.932 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.231 3.937 8.487 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.397 2.478 6.090 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.198 1.736 7.665 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.524 4.004 5.736 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.528 4.714 7.205 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -12.789 2.309 10.232 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.241 4.531 9.922 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.195 2.611 12.230 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.392 3.707 12.074 1.00 3.91 H new ATOM 2027 N MET A 130 -9.336 2.913 6.030 1.00 0.24 N ATOM 2028 CA MET A 130 -8.061 2.266 5.739 1.00 0.26 C ATOM 2029 C MET A 130 -6.942 2.876 6.571 1.00 0.25 C ATOM 2030 O MET A 130 -6.219 2.170 7.277 1.00 0.29 O ATOM 2031 CB MET A 130 -7.726 2.383 4.255 1.00 0.31 C ATOM 2032 CG MET A 130 -8.587 1.502 3.369 1.00 0.29 C ATOM 2033 SD MET A 130 -8.245 1.753 1.622 1.00 1.08 S ATOM 2034 CE MET A 130 -6.529 1.268 1.561 1.00 0.31 C ATOM 0 H MET A 130 -9.765 3.383 5.233 1.00 0.24 H new ATOM 0 HA MET A 130 -8.154 1.211 5.998 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.843 3.421 3.945 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.678 2.122 4.105 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.416 0.456 3.624 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.639 1.710 3.565 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.238 1.091 0.526 1.00 0.31 H new ATOM 0 HE2 MET A 130 -5.911 2.062 1.981 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.388 0.355 2.139 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.811 4.191 6.494 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.786 4.893 7.253 1.00 0.24 C ATOM 2046 C ALA A 131 -6.021 4.749 8.747 1.00 0.24 C ATOM 2047 O ALA A 131 -5.076 4.590 9.518 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.739 6.358 6.864 1.00 0.25 C ATOM 0 H ALA A 131 -7.399 4.792 5.916 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.824 4.441 7.014 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.966 6.864 7.443 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.512 6.445 5.802 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.705 6.820 7.067 1.00 0.25 H new ATOM 2054 N THR A 132 -7.283 4.803 9.155 1.00 0.26 N ATOM 2055 CA THR A 132 -7.625 4.638 10.556 1.00 0.29 C ATOM 2056 C THR A 132 -7.254 3.246 11.050 1.00 0.30 C ATOM 2057 O THR A 132 -6.661 3.099 12.114 1.00 0.32 O ATOM 2058 CB THR A 132 -9.122 4.855 10.813 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.521 6.154 10.367 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.420 4.701 12.296 1.00 0.40 C ATOM 0 H THR A 132 -8.080 4.959 8.538 1.00 0.26 H new ATOM 0 HA THR A 132 -7.056 5.393 11.098 1.00 0.29 H new ATOM 0 HB THR A 132 -9.685 4.107 10.255 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.535 6.173 9.387 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.485 4.856 12.471 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.141 3.699 12.621 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.848 5.438 12.860 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.625 2.227 10.284 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.312 0.856 10.653 1.00 0.32 C ATOM 2070 C TYR A 133 -5.811 0.683 10.826 1.00 0.32 C ATOM 2071 O TYR A 133 -5.360 -0.014 11.735 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.832 -0.139 9.620 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.732 -1.564 10.103 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.724 -2.130 10.895 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.653 -2.354 9.738 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.634 -3.443 11.313 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.561 -3.664 10.147 1.00 2.40 C ATOM 2078 CZ TYR A 133 -7.542 -4.164 11.050 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.459 -5.511 11.331 1.00 3.13 O ATOM 0 H TYR A 133 -8.140 2.325 9.409 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.811 0.651 11.600 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.871 0.092 9.386 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.266 -0.030 8.695 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.577 -1.535 11.187 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.872 -1.934 9.122 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -9.453 -3.890 11.857 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.763 -4.299 9.791 1.00 2.40 H new ATOM 0 HH TYR A 133 -7.526 -6.024 10.498 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.040 1.316 9.948 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.598 1.351 10.113 1.00 0.30 C ATOM 2091 C LEU A 134 -3.285 1.986 11.459 1.00 0.32 C ATOM 2092 O LEU A 134 -2.607 1.400 12.292 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.933 2.153 8.981 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.424 1.921 8.793 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.928 2.634 7.553 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.633 2.392 9.996 1.00 0.88 C ATOM 0 H LEU A 134 -5.388 1.806 9.124 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.204 0.336 10.073 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.438 1.912 8.045 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.098 3.214 9.168 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.273 0.847 8.681 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.141 2.459 7.436 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.456 2.253 6.679 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.112 3.704 7.650 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.429 2.212 9.827 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.801 3.458 10.147 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.957 1.845 10.881 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.825 3.174 11.660 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.596 3.952 12.871 1.00 0.35 C ATOM 2110 C ASN A 135 -3.894 3.151 14.136 1.00 0.38 C ATOM 2111 O ASN A 135 -3.102 3.152 15.076 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.467 5.209 12.837 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.774 6.412 12.238 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.177 7.210 12.950 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.862 6.558 10.928 1.00 0.34 N ATOM 0 H ASN A 135 -4.439 3.632 10.986 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.541 4.223 12.899 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.371 4.999 12.265 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.782 5.450 13.852 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.423 7.359 10.473 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.369 5.870 10.371 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.026 2.463 14.151 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.454 1.725 15.329 1.00 0.42 C ATOM 2124 C ASP A 136 -4.738 0.384 15.439 1.00 0.40 C ATOM 2125 O ASP A 136 -4.038 0.110 16.415 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.974 1.511 15.267 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.474 0.477 16.257 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.498 0.765 17.470 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.868 -0.626 15.821 1.00 0.58 O ATOM 0 H ASP A 136 -5.666 2.401 13.359 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.198 2.307 16.214 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.476 2.460 15.458 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.250 1.202 14.259 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.911 -0.433 14.418 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.512 -1.832 14.465 1.00 0.38 C ATOM 2136 C HIS A 137 -3.103 -2.077 13.935 1.00 0.35 C ATOM 2137 O HIS A 137 -2.309 -2.778 14.559 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.515 -2.649 13.661 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.328 -3.591 14.496 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.349 -3.175 15.320 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.263 -4.937 14.633 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.877 -4.221 15.926 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.238 -5.302 15.528 1.00 1.34 N ATOM 0 H HIS A 137 -5.331 -0.149 13.533 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.502 -2.137 15.512 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -6.187 -1.970 13.136 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.981 -3.219 12.901 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -7.650 -2.208 15.443 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -5.573 -5.599 14.132 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.696 -4.195 16.630 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.802 -1.507 12.780 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.626 -1.874 12.027 1.00 0.29 C ATOM 2154 C LEU A 138 -0.353 -1.226 12.539 1.00 0.27 C ATOM 2155 O LEU A 138 0.679 -1.877 12.627 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.864 -1.480 10.586 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.024 -2.640 9.632 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.686 -3.832 10.307 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.823 -2.212 8.421 1.00 1.20 C ATOM 0 H LEU A 138 -3.368 -0.779 12.343 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.474 -2.948 12.134 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.759 -0.860 10.536 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -1.030 -0.863 10.250 1.00 0.30 H new ATOM 0 HG LEU A 138 -1.029 -2.950 9.313 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.785 -4.647 9.590 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.075 -4.160 11.148 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.674 -3.544 10.667 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.932 -3.056 7.740 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.809 -1.871 8.737 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.305 -1.400 7.912 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.442 0.054 12.853 1.00 0.30 N ATOM 2172 CA GLU A 139 0.712 0.857 13.262 1.00 0.31 C ATOM 2173 C GLU A 139 1.604 0.143 14.286 1.00 0.30 C ATOM 2174 O GLU A 139 2.809 0.028 14.059 1.00 0.30 O ATOM 2175 CB GLU A 139 0.248 2.204 13.805 1.00 0.38 C ATOM 2176 CG GLU A 139 1.369 3.212 13.960 1.00 0.40 C ATOM 2177 CD GLU A 139 0.864 4.544 14.449 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.495 5.380 13.605 1.00 0.75 O ATOM 2179 OE2 GLU A 139 0.824 4.755 15.681 1.00 0.61 O ATOM 0 H GLU A 139 -1.319 0.575 12.833 1.00 0.30 H new ATOM 0 HA GLU A 139 1.323 1.013 12.373 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.509 2.615 13.137 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.229 2.052 14.773 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.110 2.826 14.660 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.873 3.344 13.003 1.00 0.40 H new ATOM 2186 N PRO A 140 1.052 -0.355 15.417 1.00 0.32 N ATOM 2187 CA PRO A 140 1.852 -1.079 16.411 1.00 0.34 C ATOM 2188 C PRO A 140 2.529 -2.302 15.807 1.00 0.32 C ATOM 2189 O PRO A 140 3.719 -2.536 16.020 1.00 0.34 O ATOM 2190 CB PRO A 140 0.832 -1.503 17.473 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.499 -1.382 16.814 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.364 -0.270 15.818 1.00 0.36 C ATOM 0 HA PRO A 140 2.657 -0.463 16.811 1.00 0.34 H new ATOM 0 HB2 PRO A 140 1.014 -2.525 17.807 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.894 -0.864 18.354 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -0.778 -2.314 16.323 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -1.278 -1.160 17.544 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.033 -0.406 14.968 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.601 0.698 16.259 1.00 0.36 H new ATOM 2200 N TRP A 141 1.759 -3.055 15.034 1.00 0.31 N ATOM 2201 CA TRP A 141 2.253 -4.248 14.355 1.00 0.32 C ATOM 2202 C TRP A 141 3.371 -3.885 13.378 1.00 0.31 C ATOM 2203 O TRP A 141 4.382 -4.571 13.291 1.00 0.36 O ATOM 2204 CB TRP A 141 1.102 -4.918 13.608 1.00 0.35 C ATOM 2205 CG TRP A 141 1.192 -6.409 13.580 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.235 -7.161 13.132 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.187 -7.332 14.011 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.943 -8.495 13.260 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.691 -8.627 13.797 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -1.091 -7.189 14.559 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.036 -9.771 14.110 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.813 -8.325 14.869 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.283 -9.601 14.644 1.00 1.20 C ATOM 0 H TRP A 141 0.774 -2.857 14.859 1.00 0.31 H new ATOM 0 HA TRP A 141 2.657 -4.937 15.096 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.160 -4.628 14.074 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.079 -4.545 12.584 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.158 -6.765 12.734 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.559 -9.264 12.997 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.506 -6.208 14.737 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.370 -10.757 13.938 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -2.802 -8.227 15.292 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.872 -10.470 14.898 1.00 1.20 H new ATOM 2224 N ILE A 142 3.172 -2.798 12.651 1.00 0.26 N ATOM 2225 CA ILE A 142 4.186 -2.246 11.759 1.00 0.26 C ATOM 2226 C ILE A 142 5.504 -2.049 12.494 1.00 0.29 C ATOM 2227 O ILE A 142 6.562 -2.460 12.022 1.00 0.32 O ATOM 2228 CB ILE A 142 3.700 -0.896 11.197 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.614 -1.145 10.166 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.846 -0.096 10.599 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.666 0.008 9.990 1.00 0.26 C ATOM 0 H ILE A 142 2.300 -2.269 12.661 1.00 0.26 H new ATOM 0 HA ILE A 142 4.348 -2.949 10.942 1.00 0.26 H new ATOM 0 HB ILE A 142 3.291 -0.302 12.015 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.081 -1.368 9.207 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.046 -2.029 10.457 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.467 0.850 10.212 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.593 0.100 11.368 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.301 -0.663 9.787 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.920 -0.246 9.237 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.169 0.218 10.937 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.221 0.889 9.668 1.00 0.26 H new ATOM 2243 N GLN A 143 5.422 -1.418 13.651 1.00 0.30 N ATOM 2244 CA GLN A 143 6.589 -1.158 14.477 1.00 0.35 C ATOM 2245 C GLN A 143 7.239 -2.463 14.950 1.00 0.39 C ATOM 2246 O GLN A 143 8.434 -2.499 15.231 1.00 0.43 O ATOM 2247 CB GLN A 143 6.190 -0.306 15.672 1.00 0.41 C ATOM 2248 CG GLN A 143 5.411 0.941 15.285 1.00 0.43 C ATOM 2249 CD GLN A 143 6.220 1.917 14.457 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.441 2.005 14.585 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.539 2.662 13.601 1.00 0.52 N ATOM 0 H GLN A 143 4.547 -1.072 14.045 1.00 0.30 H new ATOM 0 HA GLN A 143 7.322 -0.620 13.876 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.587 -0.907 16.353 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.087 -0.012 16.216 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.523 0.648 14.724 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.066 1.441 16.190 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.527 2.557 13.526 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.026 3.341 13.016 1.00 0.52 H new ATOM 2260 N GLU A 144 6.450 -3.533 15.035 1.00 0.40 N ATOM 2261 CA GLU A 144 6.979 -4.853 15.366 1.00 0.47 C ATOM 2262 C GLU A 144 7.853 -5.365 14.227 1.00 0.48 C ATOM 2263 O GLU A 144 8.715 -6.221 14.415 1.00 0.55 O ATOM 2264 CB GLU A 144 5.829 -5.834 15.587 1.00 0.51 C ATOM 2265 CG GLU A 144 4.801 -5.359 16.591 1.00 0.52 C ATOM 2266 CD GLU A 144 5.204 -5.622 18.023 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.103 -6.782 18.473 1.00 0.78 O ATOM 2268 OE2 GLU A 144 5.648 -4.672 18.701 1.00 0.67 O ATOM 0 H GLU A 144 5.442 -3.511 14.879 1.00 0.40 H new ATOM 0 HA GLU A 144 7.573 -4.772 16.276 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.333 -6.018 14.634 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.237 -6.787 15.923 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.638 -4.290 16.456 1.00 0.52 H new ATOM 0 HG3 GLU A 144 3.851 -5.854 16.391 1.00 0.52 H new ATOM 2275 N ASN A 145 7.616 -4.816 13.045 1.00 0.44 N ATOM 2276 CA ASN A 145 8.283 -5.264 11.826 1.00 0.48 C ATOM 2277 C ASN A 145 9.346 -4.256 11.421 1.00 0.47 C ATOM 2278 O ASN A 145 9.974 -4.375 10.366 1.00 0.57 O ATOM 2279 CB ASN A 145 7.278 -5.439 10.675 1.00 0.49 C ATOM 2280 CG ASN A 145 6.245 -6.530 10.919 1.00 0.58 C ATOM 2281 OD1 ASN A 145 5.775 -6.647 12.150 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 5.853 -7.244 9.996 1.00 0.54 N flip ATOM 0 H ASN A 145 6.958 -4.050 12.901 1.00 0.44 H new ATOM 0 HA ASN A 145 8.746 -6.230 12.029 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.761 -4.494 10.510 1.00 0.49 H new ATOM 0 HB3 ASN A 145 7.825 -5.668 9.760 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.239 -7.124 9.059 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.142 -7.955 10.168 1.00 0.54 H new ATOM 2289 N GLY A 146 9.521 -3.250 12.259 1.00 0.42 N ATOM 2290 CA GLY A 146 10.529 -2.246 12.024 1.00 0.45 C ATOM 2291 C GLY A 146 9.933 -0.897 11.689 1.00 0.44 C ATOM 2292 O GLY A 146 10.384 0.131 12.191 1.00 0.56 O ATOM 0 H GLY A 146 8.974 -3.111 13.109 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.158 -2.152 12.909 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.175 -2.568 11.207 1.00 0.45 H new ATOM 2296 N GLY A 147 8.916 -0.893 10.843 1.00 0.36 N ATOM 2297 CA GLY A 147 8.260 0.348 10.494 1.00 0.36 C ATOM 2298 C GLY A 147 8.142 0.549 8.998 1.00 0.38 C ATOM 2299 O GLY A 147 8.537 -0.316 8.212 1.00 0.49 O ATOM 0 H GLY A 147 8.534 -1.725 10.393 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.265 0.365 10.938 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.815 1.181 10.925 1.00 0.36 H new ATOM 2303 N TRP A 148 7.607 1.699 8.610 1.00 0.35 N ATOM 2304 CA TRP A 148 7.401 2.036 7.213 1.00 0.37 C ATOM 2305 C TRP A 148 8.730 2.302 6.518 1.00 0.38 C ATOM 2306 O TRP A 148 8.924 1.908 5.370 1.00 0.40 O ATOM 2307 CB TRP A 148 6.488 3.254 7.108 1.00 0.39 C ATOM 2308 CG TRP A 148 5.160 3.050 7.765 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.128 2.284 7.311 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.723 3.627 9.000 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.077 2.342 8.192 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.418 3.163 9.237 1.00 1.25 C ATOM 2313 CE3 TRP A 148 5.309 4.491 9.930 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.691 3.531 10.365 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.586 4.856 11.048 1.00 3.57 C ATOM 2316 CH2 TRP A 148 3.289 4.377 11.258 1.00 3.32 C ATOM 0 H TRP A 148 7.304 2.425 9.259 1.00 0.35 H new ATOM 0 HA TRP A 148 6.926 1.191 6.714 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.983 4.112 7.562 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.333 3.495 6.056 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.136 1.715 6.393 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.187 1.854 8.087 1.00 0.52 H new ATOM 0 HE3 TRP A 148 6.310 4.866 9.776 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.690 3.162 10.530 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 5.030 5.523 11.773 1.00 3.57 H new ATOM 0 HH2 TRP A 148 2.749 4.681 12.143 1.00 3.32 H new ATOM 2327 N ASP A 149 9.647 2.953 7.228 1.00 0.42 N ATOM 2328 CA ASP A 149 10.977 3.240 6.689 1.00 0.47 C ATOM 2329 C ASP A 149 11.704 1.943 6.366 1.00 0.47 C ATOM 2330 O ASP A 149 12.302 1.801 5.298 1.00 0.52 O ATOM 2331 CB ASP A 149 11.812 4.062 7.679 1.00 0.56 C ATOM 2332 CG ASP A 149 11.291 5.471 7.871 1.00 1.23 C ATOM 2333 OD1 ASP A 149 10.398 5.670 8.727 1.00 1.96 O ATOM 2334 OD2 ASP A 149 11.772 6.390 7.172 1.00 1.72 O ATOM 0 H ASP A 149 9.496 3.293 8.178 1.00 0.42 H new ATOM 0 HA ASP A 149 10.848 3.823 5.777 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.827 3.553 8.642 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.842 4.107 7.326 1.00 0.56 H new ATOM 2339 N THR A 150 11.632 0.993 7.291 1.00 0.47 N ATOM 2340 CA THR A 150 12.244 -0.314 7.099 1.00 0.51 C ATOM 2341 C THR A 150 11.683 -1.018 5.867 1.00 0.50 C ATOM 2342 O THR A 150 12.408 -1.709 5.156 1.00 0.56 O ATOM 2343 CB THR A 150 12.046 -1.206 8.337 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.642 -0.586 9.483 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.659 -2.579 8.115 1.00 0.67 C ATOM 0 H THR A 150 11.153 1.105 8.185 1.00 0.47 H new ATOM 0 HA THR A 150 13.311 -0.147 6.949 1.00 0.51 H new ATOM 0 HB THR A 150 10.976 -1.329 8.507 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.654 -1.221 10.229 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.507 -3.193 9.003 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.183 -3.056 7.258 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.727 -2.474 7.925 1.00 0.67 H new ATOM 2353 N PHE A 151 10.398 -0.826 5.598 1.00 0.45 N ATOM 2354 CA PHE A 151 9.773 -1.452 4.442 1.00 0.47 C ATOM 2355 C PHE A 151 10.443 -0.984 3.153 1.00 0.48 C ATOM 2356 O PHE A 151 10.704 -1.783 2.251 1.00 0.55 O ATOM 2357 CB PHE A 151 8.274 -1.149 4.390 1.00 0.47 C ATOM 2358 CG PHE A 151 7.601 -1.755 3.193 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.209 -3.083 3.199 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.345 -0.991 2.069 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.575 -3.636 2.104 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.711 -1.538 0.972 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.390 -2.890 0.969 1.00 3.00 C ATOM 0 H PHE A 151 9.774 -0.247 6.159 1.00 0.45 H new ATOM 0 HA PHE A 151 9.901 -2.530 4.539 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.800 -1.525 5.297 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.126 -0.069 4.377 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.401 -3.693 4.069 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.645 0.046 2.049 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.225 -4.657 2.142 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.466 -0.919 0.121 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.996 -3.351 0.076 1.00 3.00 H new ATOM 2373 N VAL A 152 10.736 0.309 3.078 1.00 0.45 N ATOM 2374 CA VAL A 152 11.395 0.869 1.907 1.00 0.49 C ATOM 2375 C VAL A 152 12.857 0.420 1.856 1.00 0.57 C ATOM 2376 O VAL A 152 13.471 0.374 0.790 1.00 0.64 O ATOM 2377 CB VAL A 152 11.259 2.418 1.811 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.360 2.961 2.906 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.606 3.119 1.821 1.00 0.91 C ATOM 0 H VAL A 152 10.528 0.986 3.812 1.00 0.45 H new ATOM 0 HA VAL A 152 10.881 0.478 1.029 1.00 0.49 H new ATOM 0 HB VAL A 152 10.794 2.631 0.849 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.285 4.044 2.812 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.368 2.520 2.814 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.780 2.710 3.880 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.456 4.196 1.752 1.00 0.91 H new ATOM 0 HG22 VAL A 152 13.131 2.884 2.747 1.00 0.91 H new ATOM 0 HG23 VAL A 152 13.199 2.780 0.971 1.00 0.91 H new ATOM 2389 N GLU A 153 13.419 0.093 3.009 1.00 0.59 N ATOM 2390 CA GLU A 153 14.737 -0.520 3.050 1.00 0.69 C ATOM 2391 C GLU A 153 14.718 -1.867 2.332 1.00 0.70 C ATOM 2392 O GLU A 153 15.715 -2.284 1.747 1.00 0.80 O ATOM 2393 CB GLU A 153 15.212 -0.699 4.493 1.00 0.76 C ATOM 2394 CG GLU A 153 15.690 0.591 5.124 1.00 0.80 C ATOM 2395 CD GLU A 153 16.923 1.135 4.437 1.00 1.31 C ATOM 2396 OE1 GLU A 153 18.045 0.719 4.800 1.00 1.58 O ATOM 2397 OE2 GLU A 153 16.779 1.970 3.522 1.00 1.67 O ATOM 0 H GLU A 153 12.988 0.240 3.921 1.00 0.59 H new ATOM 0 HA GLU A 153 15.435 0.143 2.539 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.397 -1.108 5.090 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.021 -1.429 4.515 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.893 1.333 5.080 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.908 0.420 6.178 1.00 0.80 H new ATOM 2404 N LEU A 154 13.566 -2.532 2.364 1.00 0.67 N ATOM 2405 CA LEU A 154 13.435 -3.850 1.759 1.00 0.72 C ATOM 2406 C LEU A 154 12.990 -3.740 0.301 1.00 0.74 C ATOM 2407 O LEU A 154 13.709 -4.153 -0.609 1.00 0.83 O ATOM 2408 CB LEU A 154 12.418 -4.699 2.533 1.00 0.72 C ATOM 2409 CG LEU A 154 12.390 -4.496 4.052 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.411 -5.455 4.700 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.775 -4.655 4.661 1.00 1.14 C ATOM 0 H LEU A 154 12.714 -2.180 2.801 1.00 0.67 H new ATOM 0 HA LEU A 154 14.413 -4.330 1.798 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.424 -4.487 2.140 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.623 -5.750 2.331 1.00 0.72 H new ATOM 0 HG LEU A 154 12.058 -3.476 4.244 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.405 -5.296 5.778 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.412 -5.279 4.302 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.711 -6.481 4.486 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.718 -4.504 5.739 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.151 -5.657 4.454 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.450 -3.918 4.227 1.00 1.14 H new ATOM 2423 N TYR A 155 11.803 -3.181 0.081 1.00 0.69 N ATOM 2424 CA TYR A 155 11.234 -3.106 -1.262 1.00 0.78 C ATOM 2425 C TYR A 155 10.912 -1.664 -1.631 1.00 0.77 C ATOM 2426 O TYR A 155 9.989 -1.388 -2.396 1.00 1.15 O ATOM 2427 CB TYR A 155 9.986 -3.978 -1.354 1.00 0.86 C ATOM 2428 CG TYR A 155 9.631 -4.378 -2.773 1.00 1.40 C ATOM 2429 CD1 TYR A 155 10.358 -5.349 -3.449 1.00 1.83 C ATOM 2430 CD2 TYR A 155 8.558 -3.788 -3.433 1.00 2.24 C ATOM 2431 CE1 TYR A 155 10.030 -5.720 -4.739 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.225 -4.156 -4.723 1.00 3.16 C ATOM 2433 CZ TYR A 155 8.992 -5.103 -5.384 1.00 3.24 C ATOM 2434 OH TYR A 155 8.633 -5.495 -6.654 1.00 4.24 O ATOM 0 H TYR A 155 11.218 -2.775 0.812 1.00 0.69 H new ATOM 0 HA TYR A 155 11.971 -3.479 -1.973 1.00 0.78 H new ATOM 0 HB2 TYR A 155 10.137 -4.878 -0.758 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.145 -3.442 -0.915 1.00 0.86 H new ATOM 0 HD1 TYR A 155 11.195 -5.823 -2.958 1.00 1.83 H new ATOM 0 HD2 TYR A 155 7.976 -3.030 -2.929 1.00 2.24 H new ATOM 0 HE1 TYR A 155 10.592 -6.496 -5.238 1.00 2.65 H new ATOM 0 HE2 TYR A 155 7.373 -3.709 -5.213 1.00 3.16 H new ATOM 0 HH TYR A 155 7.877 -4.953 -6.962 1.00 4.24 H new ATOM 2444 N GLY A 156 11.680 -0.751 -1.072 1.00 0.66 N ATOM 2445 CA GLY A 156 11.488 0.662 -1.336 1.00 0.64 C ATOM 2446 C GLY A 156 11.592 1.025 -2.787 1.00 0.78 C ATOM 2447 O GLY A 156 12.072 0.253 -3.620 1.00 1.10 O ATOM 0 H GLY A 156 12.445 -0.962 -0.431 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.508 0.962 -0.965 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.229 1.231 -0.774 1.00 0.64 H new ATOM 2451 N ASN A 157 11.138 2.218 -3.068 1.00 0.70 N ATOM 2452 CA ASN A 157 11.163 2.770 -4.393 1.00 0.80 C ATOM 2453 C ASN A 157 12.594 2.958 -4.874 1.00 1.14 C ATOM 2454 O ASN A 157 13.317 3.823 -4.379 1.00 1.29 O ATOM 2455 CB ASN A 157 10.438 4.096 -4.354 1.00 0.70 C ATOM 2456 CG ASN A 157 10.352 4.770 -5.707 1.00 0.77 C ATOM 2457 OD1 ASN A 157 9.292 4.489 -6.445 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 11.231 5.539 -6.087 1.00 0.76 N flip ATOM 0 H ASN A 157 10.734 2.842 -2.370 1.00 0.70 H new ATOM 0 HA ASN A 157 10.674 2.090 -5.091 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.430 3.940 -3.968 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.947 4.761 -3.656 1.00 0.70 H new ATOM 0 HD21 ASN A 157 12.034 5.731 -5.489 1.00 0.76 H new ATOM 0 HD22 ASN A 157 11.158 5.986 -7.001 1.00 0.76 H new ATOM 2969 N GLY B1005 -11.690 -13.608 3.244 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.607 -13.697 4.206 1.00 1.07 C ATOM 2971 C GLY B1005 -10.036 -15.105 4.343 1.00 1.05 C ATOM 2972 O GLY B1005 -10.047 -15.690 5.424 1.00 1.20 O ATOM 0 HA2 GLY B1005 -9.809 -13.016 3.909 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -10.966 -13.362 5.179 1.00 1.07 H new ATOM 2976 N ARG B1006 -9.545 -15.642 3.235 1.00 1.08 N ATOM 2977 CA ARG B1006 -8.888 -16.936 3.213 1.00 1.08 C ATOM 2978 C ARG B1006 -7.766 -16.943 2.182 1.00 1.04 C ATOM 2979 O ARG B1006 -6.792 -17.654 2.329 1.00 1.10 O ATOM 2980 CB ARG B1006 -9.861 -18.090 2.925 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.226 -18.270 1.467 1.00 1.24 C ATOM 2982 CD ARG B1006 -10.640 -16.970 0.836 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.096 -17.133 -0.552 1.00 1.88 N ATOM 2984 CZ ARG B1006 -11.047 -16.176 -1.490 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -10.637 -14.950 -1.186 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -11.449 -16.438 -2.724 1.00 2.87 N ATOM 0 H ARG B1006 -9.593 -15.188 2.323 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.477 -17.096 4.210 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -9.420 -19.017 3.291 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -10.775 -17.925 3.495 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -9.374 -18.683 0.926 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -11.038 -18.992 1.381 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.439 -16.523 1.427 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -9.800 -16.276 0.859 1.00 1.55 H new ATOM 0 HE ARG B1006 -11.477 -18.040 -0.821 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -10.355 -14.729 -0.231 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -10.604 -14.230 -1.908 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -11.796 -17.368 -2.961 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -11.412 -15.710 -3.438 1.00 2.87 H new ATOM 3000 N ALA B1007 -7.935 -16.142 1.129 1.00 1.02 N ATOM 3001 CA ALA B1007 -6.980 -16.088 0.029 1.00 1.05 C ATOM 3002 C ALA B1007 -6.425 -14.703 -0.124 1.00 1.02 C ATOM 3003 O ALA B1007 -5.336 -14.534 -0.628 1.00 1.31 O ATOM 3004 CB ALA B1007 -7.605 -16.519 -1.276 1.00 1.10 C ATOM 0 H ALA B1007 -8.734 -15.517 1.018 1.00 1.02 H new ATOM 0 HA ALA B1007 -6.174 -16.780 0.273 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -6.861 -16.465 -2.071 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -7.966 -17.544 -1.186 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -8.440 -15.860 -1.515 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.182 -13.702 0.274 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.593 -12.396 0.439 1.00 0.83 C ATOM 3012 C LEU B1008 -5.520 -12.550 1.504 1.00 0.78 C ATOM 3013 O LEU B1008 -4.381 -12.112 1.351 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.645 -11.362 0.852 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.656 -10.948 -0.225 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.953 -10.718 -1.549 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.763 -11.972 -0.384 1.00 1.33 C ATOM 0 H LEU B1008 -8.178 -13.765 0.483 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.168 -12.033 -0.497 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.197 -11.758 1.704 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -7.127 -10.467 1.196 1.00 0.90 H new ATOM 0 HG LEU B1008 -9.117 -10.015 0.099 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.684 -10.425 -2.303 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -7.212 -9.927 -1.435 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.457 -11.637 -1.862 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.457 -11.640 -1.156 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.333 -12.932 -0.671 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.296 -12.081 0.560 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.925 -13.224 2.574 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.022 -13.713 3.595 1.00 0.78 C ATOM 3031 C ALA B1009 -3.896 -14.574 2.998 1.00 0.80 C ATOM 3032 O ALA B1009 -2.710 -14.305 3.186 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.795 -14.552 4.599 1.00 0.88 C ATOM 0 H ALA B1009 -6.904 -13.446 2.754 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.574 -12.846 4.080 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.114 -14.919 5.367 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.570 -13.942 5.063 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.256 -15.397 4.088 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.304 -15.628 2.284 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.390 -16.659 1.781 1.00 0.94 C ATOM 3041 C ALA B1010 -2.439 -16.137 0.704 1.00 0.92 C ATOM 3042 O ALA B1010 -1.222 -16.275 0.820 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.188 -17.843 1.240 1.00 1.03 C ATOM 0 H ALA B1010 -5.280 -15.791 2.038 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.774 -16.975 2.623 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.502 -18.604 0.868 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.800 -18.264 2.038 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.832 -17.507 0.427 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.002 -15.544 -0.340 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.224 -15.069 -1.482 1.00 0.93 C ATOM 3051 C PHE B1011 -1.310 -13.923 -1.055 1.00 0.85 C ATOM 3052 O PHE B1011 -0.250 -13.705 -1.644 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.151 -14.587 -2.616 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.012 -15.654 -3.266 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -4.070 -16.929 -2.718 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -4.766 -15.397 -4.403 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.857 -17.911 -3.290 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.550 -16.369 -4.970 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.580 -17.594 -4.504 1.00 1.46 C ATOM 0 H PHE B1011 -4.005 -15.378 -0.422 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.622 -15.900 -1.849 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -3.806 -13.811 -2.219 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.538 -14.122 -3.388 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -3.493 -17.156 -1.834 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -4.735 -14.414 -4.849 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -4.931 -18.891 -2.842 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.160 -16.118 -5.825 1.00 1.32 H new ATOM 0 HZ PHE B1011 -6.139 -18.360 -5.021 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.725 -13.215 -0.013 1.00 0.78 N ATOM 3070 CA GLY B1012 -0.997 -12.053 0.450 1.00 0.72 C ATOM 3071 C GLY B1012 0.095 -12.383 1.444 1.00 0.73 C ATOM 3072 O GLY B1012 0.783 -11.488 1.940 1.00 0.78 O ATOM 0 H GLY B1012 -2.564 -13.430 0.525 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.556 -11.545 -0.407 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.697 -11.355 0.909 1.00 0.72 H new ATOM 3076 N ASP B1013 0.260 -13.662 1.744 1.00 0.78 N ATOM 3077 CA ASP B1013 1.287 -14.084 2.685 1.00 0.86 C ATOM 3078 C ASP B1013 2.595 -14.357 1.951 1.00 0.93 C ATOM 3079 O ASP B1013 3.618 -14.658 2.564 1.00 1.06 O ATOM 3080 CB ASP B1013 0.835 -15.329 3.451 1.00 0.98 C ATOM 3081 CG ASP B1013 1.535 -15.467 4.789 1.00 1.18 C ATOM 3082 OD1 ASP B1013 1.173 -14.725 5.725 1.00 1.90 O ATOM 3083 OD2 ASP B1013 2.446 -16.315 4.917 1.00 1.48 O ATOM 0 H ASP B1013 -0.299 -14.421 1.353 1.00 0.78 H new ATOM 0 HA ASP B1013 1.451 -13.280 3.403 1.00 0.86 H new ATOM 0 HB2 ASP B1013 -0.242 -15.284 3.610 1.00 0.98 H new ATOM 0 HB3 ASP B1013 1.031 -16.215 2.848 1.00 0.98 H new ATOM 3088 N CYS B1014 2.556 -14.235 0.629 1.00 0.93 N ATOM 3089 CA CYS B1014 3.730 -14.477 -0.201 1.00 1.06 C ATOM 3090 C CYS B1014 4.475 -13.167 -0.464 1.00 1.08 C ATOM 3091 O CYS B1014 4.161 -12.447 -1.412 1.00 1.44 O ATOM 3092 CB CYS B1014 3.315 -15.098 -1.538 1.00 1.12 C ATOM 3093 SG CYS B1014 1.924 -16.275 -1.430 1.00 1.34 S ATOM 0 H CYS B1014 1.721 -13.969 0.108 1.00 0.93 H new ATOM 0 HA CYS B1014 4.388 -15.165 0.330 1.00 1.06 H new ATOM 0 HB2 CYS B1014 3.044 -14.298 -2.227 1.00 1.12 H new ATOM 0 HB3 CYS B1014 4.175 -15.611 -1.968 1.00 1.12 H new ATOM 0 HG CYS B1014 0.800 -15.626 -1.501 1.00 1.34 H new