USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=37 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 5 ASN : amide:sc= -0.901 K(o=-0.054,f=-6!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.847 K(o=-0.054,f=-0.68) USER MOD Set 2.1: A 133 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 137 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4!) USER MOD Set 3.1: A 69 THR OG1 : rot -148:sc= 0.0665 USER MOD Set 3.2: A 117 LYS NZ :NH3+ 160:sc= 0.585 (180deg=0.417) USER MOD Set 4.1: A 48 GLN :FLIP amide:sc= -2.94! C(o=-9.1!,f=-3!) USER MOD Set 4.2: A 157 ASN :FLIP amide:sc= -0.0526 X(o=-3.3,f=-3) USER MOD Single : A 3 GLN : amide:sc= -0.898 K(o=-0.9,f=-1.8) USER MOD Single : A 4 SER OG : rot -138:sc= 1.36 USER MOD Single : A 14 SER OG : rot 180:sc=-0.00381 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.871 (180deg=0.112) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0129 K(o=-0.013,f=-3.8!) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -5.93! (180deg=-7.03!) 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 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.946 K(o=0.95,f=-4.1!) USER MOD Single : A 28 SER OG : rot 176:sc= 1.32 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 115:sc= -0.907 USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= -0.32! (180deg=-3.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.106 F(o=-1.1,f=-0.11) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.17! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 82 SER OG : rot -97:sc= 0.96 USER MOD Single : A 85 GLN : amide:sc= -0.0572 K(o=-0.057,f=-1.3!) USER MOD Single : A 88 ASN : amide:sc= 0.212 X(o=0.21,f=-0.042) USER MOD Single : A 96 ASN : amide:sc= 0.605 K(o=0.61,f=-4.2!) USER MOD Single : A 105 SER OG : rot 45:sc= 0.506 USER MOD Single : A 111 CYS SG : rot 180:sc= -10! USER MOD Single : A 114 SER OG : rot 72:sc= 0.616 USER MOD Single : A 119 MET CE :methyl -150:sc= -4.51! (180deg=-10.5!) USER MOD Single : A 120 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.89) USER MOD Single : A 124 SER OG : rot -131:sc= 1.21 USER MOD Single : A 130 MET CE :methyl -146:sc= -7.65! (180deg=-10.4!) USER MOD Single : A 132 THR OG1 : rot 76:sc= 0.873 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 145 ASN : amide:sc= 1.02 K(o=1,f=-0.38) USER MOD Single : A 150 THR OG1 : rot -120:sc= -0.0226 USER MOD Single : A 155 TYR OH : rot -145:sc= 1.3 USER MOD Single : B1014 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 0.099 10.353 11.544 1.00 0.73 N ATOM 32 CA GLN A 3 -0.919 10.768 10.587 1.00 0.73 C ATOM 33 C GLN A 3 -0.450 10.453 9.174 1.00 0.61 C ATOM 34 O GLN A 3 -1.201 10.573 8.210 1.00 0.64 O ATOM 35 CB GLN A 3 -1.222 12.268 10.706 1.00 0.83 C ATOM 36 CG GLN A 3 -1.835 12.676 12.037 1.00 1.13 C ATOM 37 CD GLN A 3 -0.848 12.611 13.185 1.00 1.76 C ATOM 38 OE1 GLN A 3 0.349 12.843 13.010 1.00 2.42 O ATOM 39 NE2 GLN A 3 -1.338 12.279 14.362 1.00 2.22 N ATOM 0 HA GLN A 3 -1.834 10.219 10.807 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.298 12.827 10.558 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.901 12.555 9.903 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.224 13.691 11.956 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.682 12.026 12.256 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -2.336 12.095 14.465 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -0.720 12.206 15.170 1.00 2.22 H new ATOM 48 N SER A 4 0.809 10.057 9.066 1.00 0.55 N ATOM 49 CA SER A 4 1.426 9.756 7.783 1.00 0.52 C ATOM 50 C SER A 4 0.835 8.497 7.159 1.00 0.45 C ATOM 51 O SER A 4 0.884 8.305 5.946 1.00 0.46 O ATOM 52 CB SER A 4 2.928 9.605 7.980 1.00 0.61 C ATOM 53 OG SER A 4 3.200 9.046 9.257 1.00 1.25 O ATOM 0 H SER A 4 1.432 9.935 9.865 1.00 0.55 H new ATOM 0 HA SER A 4 1.226 10.577 7.095 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.342 8.967 7.200 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.414 10.576 7.889 1.00 0.61 H new ATOM 0 HG SER A 4 3.962 9.511 9.662 1.00 1.25 H new ATOM 59 N ASN A 5 0.259 7.648 7.995 1.00 0.43 N ATOM 60 CA ASN A 5 -0.439 6.457 7.522 1.00 0.39 C ATOM 61 C ASN A 5 -1.632 6.848 6.660 1.00 0.35 C ATOM 62 O ASN A 5 -2.084 6.073 5.815 1.00 0.35 O ATOM 63 CB ASN A 5 -0.895 5.594 8.699 1.00 0.40 C ATOM 64 CG ASN A 5 -1.375 6.409 9.878 1.00 0.80 C ATOM 65 OD1 ASN A 5 -1.954 7.482 9.715 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.114 5.912 11.079 1.00 0.53 N ATOM 0 H ASN A 5 0.260 7.760 9.009 1.00 0.43 H new ATOM 0 HA ASN A 5 0.254 5.873 6.916 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.698 4.935 8.369 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.069 4.957 9.017 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.396 6.424 11.915 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.631 5.018 11.167 1.00 0.53 H new ATOM 73 N ARG A 6 -2.130 8.059 6.879 1.00 0.35 N ATOM 74 CA ARG A 6 -3.182 8.618 6.050 1.00 0.34 C ATOM 75 C ARG A 6 -2.697 8.742 4.616 1.00 0.31 C ATOM 76 O ARG A 6 -3.404 8.377 3.680 1.00 0.30 O ATOM 77 CB ARG A 6 -3.605 9.990 6.585 1.00 0.41 C ATOM 78 CG ARG A 6 -4.666 10.673 5.742 1.00 0.59 C ATOM 79 CD ARG A 6 -5.866 9.767 5.538 1.00 0.41 C ATOM 80 NE ARG A 6 -6.535 9.453 6.802 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.850 9.550 7.005 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.644 10.003 6.040 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.366 9.201 8.180 1.00 0.93 N ATOM 0 H ARG A 6 -1.817 8.674 7.630 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.045 7.953 6.077 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.981 9.874 7.602 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.728 10.634 6.641 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.982 11.597 6.227 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.245 10.948 4.775 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.573 10.248 4.863 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.545 8.843 5.058 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.956 9.139 7.581 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.248 10.278 5.141 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.649 10.076 6.199 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.757 8.860 8.924 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.371 9.274 8.338 1.00 0.93 H new ATOM 97 N GLU A 7 -1.479 9.239 4.466 1.00 0.30 N ATOM 98 CA GLU A 7 -0.866 9.410 3.155 1.00 0.29 C ATOM 99 C GLU A 7 -0.846 8.096 2.415 1.00 0.25 C ATOM 100 O GLU A 7 -1.349 7.994 1.307 1.00 0.26 O ATOM 101 CB GLU A 7 0.582 9.859 3.278 1.00 0.31 C ATOM 102 CG GLU A 7 0.803 11.148 4.019 1.00 0.40 C ATOM 103 CD GLU A 7 2.281 11.407 4.206 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.971 11.611 3.187 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.770 11.353 5.351 1.00 0.53 O ATOM 0 H GLU A 7 -0.889 9.534 5.244 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.455 10.159 2.626 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.146 9.072 3.779 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.998 9.961 2.276 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.350 11.973 3.468 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.310 11.105 4.990 1.00 0.40 H new ATOM 112 N LEU A 8 -0.206 7.114 3.045 1.00 0.26 N ATOM 113 CA LEU A 8 -0.105 5.766 2.530 1.00 0.27 C ATOM 114 C LEU A 8 -1.429 5.308 1.927 1.00 0.28 C ATOM 115 O LEU A 8 -1.473 4.865 0.785 1.00 0.40 O ATOM 116 CB LEU A 8 0.343 4.845 3.674 1.00 0.34 C ATOM 117 CG LEU A 8 1.847 4.886 4.009 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.397 6.305 4.118 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.139 4.132 5.293 1.00 1.16 C ATOM 0 H LEU A 8 0.262 7.243 3.942 1.00 0.26 H new ATOM 0 HA LEU A 8 0.631 5.730 1.726 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.218 5.109 4.570 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.073 3.820 3.419 1.00 0.34 H new ATOM 0 HG LEU A 8 2.352 4.401 3.173 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.460 6.266 4.355 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.256 6.824 3.170 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.869 6.840 4.907 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.207 4.176 5.506 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.586 4.586 6.115 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.834 3.091 5.181 1.00 1.16 H new ATOM 131 N VAL A 9 -2.509 5.471 2.678 1.00 0.23 N ATOM 132 CA VAL A 9 -3.835 5.129 2.187 1.00 0.23 C ATOM 133 C VAL A 9 -4.232 6.022 1.009 1.00 0.23 C ATOM 134 O VAL A 9 -4.488 5.534 -0.093 1.00 0.24 O ATOM 135 CB VAL A 9 -4.879 5.255 3.315 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.289 5.080 2.784 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.591 4.240 4.405 1.00 0.27 C ATOM 0 H VAL A 9 -2.492 5.838 3.630 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.806 4.095 1.843 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.806 6.258 3.735 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.001 5.174 3.604 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.494 5.846 2.036 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.387 4.094 2.330 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.333 4.336 5.197 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.635 3.234 3.987 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.597 4.419 4.815 1.00 0.27 H new ATOM 147 N VAL A 10 -4.269 7.328 1.251 1.00 0.23 N ATOM 148 CA VAL A 10 -4.717 8.299 0.253 1.00 0.25 C ATOM 149 C VAL A 10 -3.953 8.167 -1.060 1.00 0.25 C ATOM 150 O VAL A 10 -4.558 8.125 -2.134 1.00 0.27 O ATOM 151 CB VAL A 10 -4.554 9.735 0.782 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.957 10.755 -0.257 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.372 9.919 2.035 1.00 0.32 C ATOM 0 H VAL A 10 -3.991 7.744 2.140 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.769 8.088 0.063 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.500 9.891 1.013 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.830 11.758 0.150 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.331 10.640 -1.142 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.002 10.604 -0.529 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.251 10.938 2.402 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.423 9.736 1.813 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.034 9.216 2.797 1.00 0.32 H new ATOM 163 N ASP A 11 -2.629 8.099 -0.958 1.00 0.26 N ATOM 164 CA ASP A 11 -1.753 8.021 -2.121 1.00 0.28 C ATOM 165 C ASP A 11 -2.199 6.913 -3.059 1.00 0.31 C ATOM 166 O ASP A 11 -2.274 7.104 -4.273 1.00 0.35 O ATOM 167 CB ASP A 11 -0.307 7.765 -1.676 1.00 0.32 C ATOM 168 CG ASP A 11 0.689 7.842 -2.819 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.901 6.826 -3.514 1.00 0.49 O ATOM 170 OD2 ASP A 11 1.278 8.927 -3.019 1.00 0.59 O ATOM 0 H ASP A 11 -2.134 8.096 -0.066 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.807 8.972 -2.651 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.033 8.494 -0.913 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.244 6.780 -1.213 1.00 0.32 H new ATOM 175 N PHE A 12 -2.534 5.765 -2.490 1.00 0.32 N ATOM 176 CA PHE A 12 -2.871 4.616 -3.296 1.00 0.38 C ATOM 177 C PHE A 12 -4.310 4.672 -3.779 1.00 0.34 C ATOM 178 O PHE A 12 -4.574 4.345 -4.931 1.00 0.39 O ATOM 179 CB PHE A 12 -2.628 3.320 -2.543 1.00 0.46 C ATOM 180 CG PHE A 12 -2.324 2.167 -3.458 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.080 2.063 -4.062 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.275 1.200 -3.722 1.00 0.98 C ATOM 183 CE1 PHE A 12 -0.791 1.012 -4.909 1.00 1.61 C ATOM 184 CE2 PHE A 12 -2.990 0.147 -4.570 1.00 1.38 C ATOM 185 CZ PHE A 12 -1.748 0.053 -5.163 1.00 1.61 C ATOM 0 H PHE A 12 -2.578 5.611 -1.483 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.216 4.640 -4.167 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.798 3.457 -1.850 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.507 3.082 -1.944 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.328 2.813 -3.867 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.250 1.268 -3.262 1.00 0.98 H new ATOM 0 HE1 PHE A 12 0.182 0.941 -5.371 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -3.741 -0.604 -4.769 1.00 1.38 H new ATOM 0 HZ PHE A 12 -1.526 -0.771 -5.825 1.00 1.61 H new ATOM 195 N LEU A 13 -5.251 5.085 -2.923 1.00 0.28 N ATOM 196 CA LEU A 13 -6.635 5.190 -3.365 1.00 0.28 C ATOM 197 C LEU A 13 -6.734 6.183 -4.511 1.00 0.30 C ATOM 198 O LEU A 13 -7.435 5.945 -5.493 1.00 0.34 O ATOM 199 CB LEU A 13 -7.580 5.594 -2.231 1.00 0.25 C ATOM 200 CG LEU A 13 -8.111 4.436 -1.385 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.182 4.133 -0.239 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.511 4.735 -0.875 1.00 0.27 C ATOM 0 H LEU A 13 -5.083 5.344 -1.951 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.948 4.202 -3.704 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.059 6.293 -1.576 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.428 6.130 -2.659 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.161 3.553 -2.022 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.584 3.306 0.346 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.201 3.860 -0.628 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.088 5.014 0.396 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.867 3.897 -0.276 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.490 5.636 -0.262 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.182 4.887 -1.721 1.00 0.27 H new ATOM 214 N SER A 14 -5.990 7.273 -4.392 1.00 0.29 N ATOM 215 CA SER A 14 -5.917 8.269 -5.449 1.00 0.33 C ATOM 216 C SER A 14 -5.287 7.663 -6.695 1.00 0.37 C ATOM 217 O SER A 14 -5.798 7.815 -7.807 1.00 0.42 O ATOM 218 CB SER A 14 -5.100 9.478 -4.985 1.00 0.33 C ATOM 219 OG SER A 14 -5.006 10.459 -6.007 1.00 1.05 O ATOM 0 H SER A 14 -5.426 7.490 -3.570 1.00 0.29 H new ATOM 0 HA SER A 14 -6.928 8.600 -5.687 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.563 9.915 -4.100 1.00 0.33 H new ATOM 0 HB3 SER A 14 -4.100 9.155 -4.695 1.00 0.33 H new ATOM 0 HG SER A 14 -4.481 11.220 -5.683 1.00 1.05 H new ATOM 225 N TYR A 15 -4.184 6.955 -6.491 1.00 0.37 N ATOM 226 CA TYR A 15 -3.467 6.308 -7.575 1.00 0.45 C ATOM 227 C TYR A 15 -4.357 5.290 -8.286 1.00 0.43 C ATOM 228 O TYR A 15 -4.231 5.076 -9.491 1.00 0.55 O ATOM 229 CB TYR A 15 -2.206 5.630 -7.031 1.00 0.52 C ATOM 230 CG TYR A 15 -1.333 5.009 -8.096 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.823 5.777 -9.132 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.025 3.655 -8.066 1.00 0.89 C ATOM 233 CE1 TYR A 15 -0.028 5.215 -10.109 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.229 3.085 -9.041 1.00 1.06 C ATOM 235 CZ TYR A 15 0.267 3.871 -10.059 1.00 1.03 C ATOM 236 OH TYR A 15 1.056 3.313 -11.033 1.00 1.22 O ATOM 0 H TYR A 15 -3.765 6.815 -5.572 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.178 7.066 -8.303 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.620 6.365 -6.479 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.499 4.857 -6.320 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -1.052 6.832 -9.174 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.413 3.039 -7.269 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.361 5.826 -10.910 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.003 2.031 -9.006 1.00 1.06 H new ATOM 0 HH TYR A 15 1.171 2.356 -10.853 1.00 1.22 H new ATOM 246 N LYS A 16 -5.262 4.665 -7.544 1.00 0.33 N ATOM 247 CA LYS A 16 -6.151 3.680 -8.118 1.00 0.33 C ATOM 248 C LYS A 16 -7.255 4.324 -8.934 1.00 0.33 C ATOM 249 O LYS A 16 -7.673 3.764 -9.933 1.00 0.42 O ATOM 250 CB LYS A 16 -6.726 2.772 -7.037 1.00 0.34 C ATOM 251 CG LYS A 16 -5.683 1.921 -6.320 1.00 0.61 C ATOM 252 CD LYS A 16 -5.114 0.815 -7.204 1.00 0.57 C ATOM 253 CE LYS A 16 -4.117 1.327 -8.238 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.211 0.259 -8.729 1.00 1.41 N ATOM 0 H LYS A 16 -5.395 4.827 -6.546 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.562 3.067 -8.800 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.247 3.385 -6.302 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.469 2.114 -7.487 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -4.870 2.562 -5.979 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.132 1.476 -5.432 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.626 0.071 -6.575 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.933 0.311 -7.717 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.660 1.755 -9.081 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.524 2.130 -7.800 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.745 0.574 -9.604 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.491 0.056 -8.007 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.761 -0.602 -8.921 1.00 1.41 H new ATOM 268 N LEU A 17 -7.718 5.500 -8.545 1.00 0.33 N ATOM 269 CA LEU A 17 -8.706 6.198 -9.366 1.00 0.32 C ATOM 270 C LEU A 17 -8.108 6.520 -10.731 1.00 0.35 C ATOM 271 O LEU A 17 -8.814 6.580 -11.740 1.00 0.36 O ATOM 272 CB LEU A 17 -9.223 7.477 -8.700 1.00 0.35 C ATOM 273 CG LEU A 17 -10.330 7.290 -7.655 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.877 5.871 -7.666 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.822 7.666 -6.277 1.00 1.15 C ATOM 0 H LEU A 17 -7.439 5.985 -7.692 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.561 5.532 -9.484 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.382 7.980 -8.223 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.594 8.144 -9.478 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.153 7.955 -7.915 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.659 5.777 -6.913 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.292 5.648 -8.649 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.073 5.169 -7.444 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.618 7.528 -5.546 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.975 7.031 -6.016 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.506 8.709 -6.278 1.00 1.15 H new ATOM 287 N SER A 18 -6.794 6.671 -10.753 1.00 0.41 N ATOM 288 CA SER A 18 -6.070 6.989 -11.970 1.00 0.48 C ATOM 289 C SER A 18 -6.144 5.856 -13.002 1.00 0.51 C ATOM 290 O SER A 18 -6.135 6.121 -14.203 1.00 0.58 O ATOM 291 CB SER A 18 -4.607 7.300 -11.634 1.00 0.57 C ATOM 292 OG SER A 18 -3.889 7.721 -12.781 1.00 0.94 O ATOM 0 H SER A 18 -6.201 6.577 -9.928 1.00 0.41 H new ATOM 0 HA SER A 18 -6.542 7.864 -12.417 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.565 8.078 -10.871 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.133 6.414 -11.212 1.00 0.57 H new ATOM 0 HG SER A 18 -2.960 7.913 -12.533 1.00 0.94 H new ATOM 298 N GLN A 19 -6.250 4.598 -12.552 1.00 0.52 N ATOM 299 CA GLN A 19 -6.162 3.468 -13.480 1.00 0.57 C ATOM 300 C GLN A 19 -7.419 3.293 -14.314 1.00 0.51 C ATOM 301 O GLN A 19 -7.452 2.494 -15.250 1.00 0.59 O ATOM 302 CB GLN A 19 -5.843 2.158 -12.765 1.00 0.68 C ATOM 303 CG GLN A 19 -6.877 1.762 -11.744 1.00 0.84 C ATOM 304 CD GLN A 19 -6.740 0.326 -11.287 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.986 0.020 -10.368 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.504 -0.560 -11.907 1.00 1.19 N ATOM 0 H GLN A 19 -6.393 4.343 -11.575 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.339 3.713 -14.151 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.752 1.363 -13.505 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.875 2.249 -12.273 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.797 2.421 -10.880 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.871 1.909 -12.166 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -8.117 -0.263 -12.666 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.480 -1.540 -11.625 1.00 1.19 H new ATOM 315 N LYS A 20 -8.448 4.029 -13.967 1.00 0.45 N ATOM 316 CA LYS A 20 -9.714 3.956 -14.683 1.00 0.49 C ATOM 317 C LYS A 20 -10.038 5.303 -15.272 1.00 0.48 C ATOM 318 O LYS A 20 -10.846 5.434 -16.190 1.00 0.53 O ATOM 319 CB LYS A 20 -10.822 3.527 -13.758 1.00 0.57 C ATOM 320 CG LYS A 20 -10.336 2.874 -12.484 1.00 0.49 C ATOM 321 CD LYS A 20 -10.191 3.897 -11.420 1.00 1.20 C ATOM 322 CE LYS A 20 -11.467 4.703 -11.333 1.00 1.75 C ATOM 323 NZ LYS A 20 -12.680 3.851 -11.159 1.00 2.20 N ATOM 0 H LYS A 20 -8.440 4.690 -13.190 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.623 3.219 -15.481 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.426 4.398 -13.501 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.474 2.831 -14.286 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -11.040 2.104 -12.168 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -9.380 2.380 -12.659 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.983 3.418 -10.463 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.347 4.551 -11.639 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.395 5.399 -10.497 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.576 5.301 -12.238 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -13.533 4.427 -11.308 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -12.661 3.075 -11.851 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -12.692 3.457 -10.197 1.00 2.20 H new ATOM 337 N GLY A 21 -9.401 6.295 -14.709 1.00 0.45 N ATOM 338 CA GLY A 21 -9.484 7.633 -15.239 1.00 0.49 C ATOM 339 C GLY A 21 -10.393 8.530 -14.438 1.00 0.47 C ATOM 340 O GLY A 21 -10.959 9.483 -14.964 1.00 0.53 O ATOM 0 H GLY A 21 -8.816 6.202 -13.879 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.485 8.069 -15.267 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.841 7.589 -16.268 1.00 0.49 H new ATOM 344 N TYR A 22 -10.539 8.215 -13.165 1.00 0.40 N ATOM 345 CA TYR A 22 -11.223 9.110 -12.238 1.00 0.37 C ATOM 346 C TYR A 22 -10.218 9.814 -11.334 1.00 0.36 C ATOM 347 O TYR A 22 -9.034 9.479 -11.333 1.00 0.38 O ATOM 348 CB TYR A 22 -12.244 8.356 -11.393 1.00 0.34 C ATOM 349 CG TYR A 22 -13.538 8.074 -12.123 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.660 6.983 -12.973 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.639 8.905 -11.961 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.842 6.728 -13.640 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.825 8.655 -12.624 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.921 7.564 -13.462 1.00 0.62 C ATOM 355 OH TYR A 22 -17.102 7.307 -14.120 1.00 0.76 O ATOM 0 H TYR A 22 -10.196 7.351 -12.746 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.753 9.857 -12.829 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.807 7.413 -11.065 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.461 8.936 -10.496 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.817 6.323 -13.115 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.567 9.761 -11.306 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.920 5.876 -14.299 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.672 9.310 -12.487 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.763 7.991 -13.885 1.00 0.76 H new ATOM 365 N SER A 23 -10.695 10.785 -10.571 1.00 0.37 N ATOM 366 CA SER A 23 -9.837 11.541 -9.676 1.00 0.39 C ATOM 367 C SER A 23 -10.149 11.216 -8.224 1.00 0.35 C ATOM 368 O SER A 23 -11.246 10.761 -7.895 1.00 0.34 O ATOM 369 CB SER A 23 -10.032 13.038 -9.903 1.00 0.45 C ATOM 370 OG SER A 23 -8.993 13.794 -9.303 1.00 0.52 O ATOM 0 H SER A 23 -11.675 11.068 -10.555 1.00 0.37 H new ATOM 0 HA SER A 23 -8.804 11.266 -9.889 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.062 13.244 -10.973 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.993 13.347 -9.492 1.00 0.45 H new ATOM 0 HG SER A 23 -9.146 14.748 -9.468 1.00 0.52 H new ATOM 376 N TRP A 24 -9.177 11.463 -7.364 1.00 0.37 N ATOM 377 CA TRP A 24 -9.361 11.327 -5.931 1.00 0.36 C ATOM 378 C TRP A 24 -10.158 12.503 -5.391 1.00 0.35 C ATOM 379 O TRP A 24 -11.175 12.328 -4.716 1.00 0.34 O ATOM 380 CB TRP A 24 -7.999 11.264 -5.239 1.00 0.45 C ATOM 381 CG TRP A 24 -8.074 11.330 -3.744 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.716 12.382 -2.949 1.00 0.96 C ATOM 383 CD2 TRP A 24 -8.541 10.304 -2.867 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.937 12.070 -1.631 1.00 0.61 N ATOM 385 CE2 TRP A 24 -8.442 10.801 -1.555 1.00 1.10 C ATOM 386 CE3 TRP A 24 -9.037 9.016 -3.064 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -8.821 10.051 -0.449 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -9.413 8.275 -1.965 1.00 3.36 C ATOM 389 CH2 TRP A 24 -9.303 8.795 -0.672 1.00 3.13 C ATOM 0 H TRP A 24 -8.241 11.762 -7.638 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.910 10.407 -5.731 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.498 10.340 -5.527 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.381 12.087 -5.599 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -7.318 13.321 -3.305 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.754 12.684 -0.837 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -9.125 8.607 -4.060 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -8.737 10.448 0.552 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -9.799 7.276 -2.105 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -9.606 8.189 0.169 1.00 3.13 H new ATOM 400 N SER A 25 -9.700 13.702 -5.717 1.00 0.39 N ATOM 401 CA SER A 25 -10.281 14.923 -5.184 1.00 0.44 C ATOM 402 C SER A 25 -11.700 15.143 -5.698 1.00 0.43 C ATOM 403 O SER A 25 -12.467 15.891 -5.096 1.00 0.49 O ATOM 404 CB SER A 25 -9.405 16.115 -5.549 1.00 0.53 C ATOM 405 OG SER A 25 -8.057 15.889 -5.171 1.00 1.37 O ATOM 0 H SER A 25 -8.919 13.855 -6.355 1.00 0.39 H new ATOM 0 HA SER A 25 -10.332 14.824 -4.100 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.460 16.296 -6.622 1.00 0.53 H new ATOM 0 HB3 SER A 25 -9.780 17.011 -5.055 1.00 0.53 H new ATOM 0 HG SER A 25 -7.514 16.667 -5.417 1.00 1.37 H new ATOM 411 N GLN A 26 -12.047 14.489 -6.810 1.00 0.40 N ATOM 412 CA GLN A 26 -13.394 14.586 -7.367 1.00 0.42 C ATOM 413 C GLN A 26 -14.463 14.286 -6.320 1.00 0.38 C ATOM 414 O GLN A 26 -15.512 14.926 -6.294 1.00 0.41 O ATOM 415 CB GLN A 26 -13.557 13.646 -8.561 1.00 0.47 C ATOM 416 CG GLN A 26 -13.164 14.260 -9.893 1.00 0.59 C ATOM 417 CD GLN A 26 -13.308 13.282 -11.043 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.159 12.071 -10.867 1.00 1.11 O ATOM 419 NE2 GLN A 26 -13.612 13.792 -12.225 1.00 1.10 N ATOM 0 H GLN A 26 -11.414 13.889 -7.339 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.529 15.614 -7.702 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.954 12.754 -8.392 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.596 13.322 -8.615 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -13.784 15.136 -10.084 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -12.132 14.606 -9.840 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -13.727 14.800 -12.331 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -13.731 13.177 -13.030 1.00 1.10 H new ATOM 428 N PHE A 27 -14.197 13.314 -5.462 1.00 0.35 N ATOM 429 CA PHE A 27 -15.164 12.930 -4.444 1.00 0.38 C ATOM 430 C PHE A 27 -14.612 13.049 -3.030 1.00 0.43 C ATOM 431 O PHE A 27 -15.333 12.819 -2.057 1.00 0.67 O ATOM 432 CB PHE A 27 -15.663 11.512 -4.697 1.00 0.43 C ATOM 433 CG PHE A 27 -17.061 11.495 -5.240 1.00 0.67 C ATOM 434 CD1 PHE A 27 -17.298 11.715 -6.586 1.00 0.94 C ATOM 435 CD2 PHE A 27 -18.140 11.271 -4.401 1.00 0.85 C ATOM 436 CE1 PHE A 27 -18.584 11.710 -7.086 1.00 1.20 C ATOM 437 CE2 PHE A 27 -19.429 11.264 -4.896 1.00 1.16 C ATOM 438 CZ PHE A 27 -19.651 11.484 -6.240 1.00 1.28 C ATOM 0 H PHE A 27 -13.328 12.780 -5.449 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.996 13.630 -4.519 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -14.995 11.013 -5.400 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.629 10.945 -3.767 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.467 11.893 -7.252 1.00 0.94 H new ATOM 0 HD2 PHE A 27 -17.971 11.100 -3.348 1.00 0.85 H new ATOM 0 HE1 PHE A 27 -18.756 11.883 -8.138 1.00 1.20 H new ATOM 0 HE2 PHE A 27 -20.262 11.087 -4.232 1.00 1.16 H new ATOM 0 HZ PHE A 27 -20.658 11.479 -6.629 1.00 1.28 H new ATOM 448 N SER A 28 -13.345 13.389 -2.907 1.00 0.39 N ATOM 449 CA SER A 28 -12.725 13.485 -1.599 1.00 0.42 C ATOM 450 C SER A 28 -12.588 14.917 -1.139 1.00 0.58 C ATOM 451 O SER A 28 -12.421 15.840 -1.928 1.00 1.01 O ATOM 452 CB SER A 28 -11.370 12.802 -1.604 1.00 0.62 C ATOM 453 OG SER A 28 -11.487 11.470 -2.068 1.00 1.81 O ATOM 0 H SER A 28 -12.727 13.602 -3.690 1.00 0.39 H new ATOM 0 HA SER A 28 -13.380 12.976 -0.892 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.680 13.356 -2.241 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.950 12.807 -0.598 1.00 0.62 H new ATOM 0 HG SER A 28 -10.597 11.064 -2.124 1.00 1.81 H new ATOM 459 N ASP A 29 -12.656 15.059 0.164 1.00 0.63 N ATOM 460 CA ASP A 29 -12.569 16.337 0.833 1.00 0.84 C ATOM 461 C ASP A 29 -11.444 16.286 1.854 1.00 0.88 C ATOM 462 O ASP A 29 -11.125 17.278 2.511 1.00 1.03 O ATOM 463 CB ASP A 29 -13.888 16.605 1.546 1.00 1.04 C ATOM 464 CG ASP A 29 -14.995 17.068 0.620 1.00 1.69 C ATOM 465 OD1 ASP A 29 -15.723 16.207 0.083 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.166 18.292 0.451 1.00 1.85 O ATOM 0 H ASP A 29 -12.776 14.273 0.803 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.370 17.129 0.111 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.208 15.696 2.055 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.729 17.361 2.315 1.00 1.04 H new ATOM 471 N VAL A 30 -10.837 15.107 1.927 1.00 0.80 N ATOM 472 CA VAL A 30 -9.906 14.737 2.986 1.00 0.82 C ATOM 473 C VAL A 30 -8.702 15.674 3.070 1.00 0.82 C ATOM 474 O VAL A 30 -8.626 16.497 3.974 1.00 0.92 O ATOM 475 CB VAL A 30 -9.439 13.281 2.767 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.535 12.312 3.168 1.00 0.89 C ATOM 477 CG2 VAL A 30 -9.064 13.046 1.311 1.00 0.76 C ATOM 0 H VAL A 30 -10.981 14.368 1.239 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.433 14.825 3.936 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.560 13.112 3.389 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -10.193 11.289 3.009 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.778 12.453 4.221 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.423 12.496 2.563 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.738 12.014 1.181 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.930 13.236 0.677 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.255 13.720 1.030 1.00 0.76 H new ATOM 487 N GLU A 31 -7.778 15.565 2.125 1.00 0.78 N ATOM 488 CA GLU A 31 -6.626 16.446 2.080 1.00 0.83 C ATOM 489 C GLU A 31 -6.941 17.665 1.229 1.00 0.88 C ATOM 490 O GLU A 31 -6.108 18.555 1.046 1.00 0.98 O ATOM 491 CB GLU A 31 -5.393 15.693 1.559 1.00 0.93 C ATOM 492 CG GLU A 31 -5.666 14.751 0.389 1.00 1.05 C ATOM 493 CD GLU A 31 -6.171 15.460 -0.849 1.00 2.05 C ATOM 494 OE1 GLU A 31 -5.350 16.065 -1.571 1.00 2.46 O ATOM 495 OE2 GLU A 31 -7.391 15.414 -1.101 1.00 2.74 O ATOM 0 H GLU A 31 -7.807 14.871 1.378 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.396 16.789 3.089 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -4.642 16.421 1.253 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.963 15.117 2.378 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -4.750 14.214 0.143 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -6.399 14.005 0.696 1.00 1.05 H new ATOM 502 N GLU A 32 -8.163 17.683 0.715 1.00 0.87 N ATOM 503 CA GLU A 32 -8.640 18.773 -0.109 1.00 0.98 C ATOM 504 C GLU A 32 -8.899 20.015 0.732 1.00 1.09 C ATOM 505 O GLU A 32 -8.510 21.124 0.364 1.00 1.24 O ATOM 506 CB GLU A 32 -9.920 18.359 -0.844 1.00 0.98 C ATOM 507 CG GLU A 32 -10.595 19.516 -1.569 1.00 1.12 C ATOM 508 CD GLU A 32 -11.598 19.073 -2.616 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.189 18.853 -3.776 1.00 1.45 O ATOM 510 OE2 GLU A 32 -12.800 18.978 -2.299 1.00 1.17 O ATOM 0 H GLU A 32 -8.847 16.941 0.860 1.00 0.87 H new ATOM 0 HA GLU A 32 -7.869 19.010 -0.842 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.681 17.577 -1.565 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.620 17.929 -0.128 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.100 20.147 -0.838 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -9.831 20.130 -2.046 1.00 1.12 H new ATOM 630 N THR A 41 6.010 13.479 4.228 1.00 1.12 N ATOM 631 CA THR A 41 6.993 13.820 5.242 1.00 0.86 C ATOM 632 C THR A 41 7.960 12.652 5.458 1.00 0.75 C ATOM 633 O THR A 41 9.093 12.683 4.981 1.00 0.85 O ATOM 634 CB THR A 41 6.298 14.219 6.572 1.00 0.80 C ATOM 635 OG1 THR A 41 7.207 14.125 7.677 1.00 0.95 O ATOM 636 CG2 THR A 41 5.065 13.363 6.836 1.00 0.91 C ATOM 0 HA THR A 41 7.565 14.680 4.894 1.00 0.86 H new ATOM 0 HB THR A 41 5.978 15.256 6.470 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.746 14.383 8.503 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.604 13.669 7.775 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.352 13.492 6.022 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.357 12.315 6.900 1.00 0.91 H new ATOM 644 N GLU A 42 7.504 11.619 6.147 1.00 0.69 N ATOM 645 CA GLU A 42 8.277 10.395 6.294 1.00 0.66 C ATOM 646 C GLU A 42 7.881 9.405 5.223 1.00 0.54 C ATOM 647 O GLU A 42 8.675 8.584 4.769 1.00 0.56 O ATOM 648 CB GLU A 42 8.029 9.777 7.660 1.00 0.74 C ATOM 649 CG GLU A 42 6.634 9.189 7.843 1.00 0.65 C ATOM 650 CD GLU A 42 6.422 8.710 9.259 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.024 7.691 9.643 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.682 9.381 10.009 1.00 1.17 O ATOM 0 H GLU A 42 6.598 11.603 6.616 1.00 0.69 H new ATOM 0 HA GLU A 42 9.335 10.639 6.195 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.766 8.992 7.829 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.192 10.537 8.424 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.885 9.941 7.595 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.493 8.359 7.151 1.00 0.65 H new ATOM 659 N SER A 43 6.623 9.504 4.852 1.00 0.48 N ATOM 660 CA SER A 43 5.977 8.545 3.990 1.00 0.43 C ATOM 661 C SER A 43 6.578 8.487 2.607 1.00 0.43 C ATOM 662 O SER A 43 6.457 7.474 1.950 1.00 0.49 O ATOM 663 CB SER A 43 4.516 8.894 3.862 1.00 0.50 C ATOM 664 OG SER A 43 3.869 8.863 5.119 1.00 1.25 O ATOM 0 H SER A 43 6.013 10.266 5.147 1.00 0.48 H new ATOM 0 HA SER A 43 6.117 7.567 4.450 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.414 9.886 3.422 1.00 0.50 H new ATOM 0 HB3 SER A 43 4.030 8.193 3.183 1.00 0.50 H new ATOM 0 HG SER A 43 3.567 9.765 5.354 1.00 1.25 H new ATOM 670 N GLU A 44 7.202 9.571 2.174 1.00 0.46 N ATOM 671 CA GLU A 44 7.713 9.689 0.806 1.00 0.52 C ATOM 672 C GLU A 44 8.350 8.386 0.308 1.00 0.51 C ATOM 673 O GLU A 44 7.988 7.894 -0.756 1.00 0.58 O ATOM 674 CB GLU A 44 8.701 10.850 0.713 1.00 0.61 C ATOM 675 CG GLU A 44 9.317 11.026 -0.664 1.00 0.72 C ATOM 676 CD GLU A 44 10.221 12.237 -0.745 1.00 1.17 C ATOM 677 OE1 GLU A 44 11.430 12.105 -0.457 1.00 1.91 O ATOM 678 OE2 GLU A 44 9.725 13.328 -1.094 1.00 1.29 O ATOM 0 H GLU A 44 7.371 10.393 2.753 1.00 0.46 H new ATOM 0 HA GLU A 44 6.864 9.891 0.154 1.00 0.52 H new ATOM 0 HB2 GLU A 44 8.191 11.772 0.992 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.498 10.695 1.440 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.888 10.133 -0.920 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.523 11.120 -1.404 1.00 0.72 H new ATOM 685 N ALA A 45 9.258 7.810 1.082 1.00 0.48 N ATOM 686 CA ALA A 45 9.860 6.533 0.710 1.00 0.48 C ATOM 687 C ALA A 45 8.919 5.360 0.997 1.00 0.41 C ATOM 688 O ALA A 45 8.818 4.436 0.192 1.00 0.41 O ATOM 689 CB ALA A 45 11.187 6.340 1.426 1.00 0.52 C ATOM 0 H ALA A 45 9.593 8.200 1.963 1.00 0.48 H new ATOM 0 HA ALA A 45 10.041 6.555 -0.365 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.621 5.383 1.136 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.869 7.145 1.152 1.00 0.52 H new ATOM 0 HB3 ALA A 45 11.024 6.353 2.504 1.00 0.52 H new ATOM 695 N VAL A 46 8.214 5.405 2.129 1.00 0.37 N ATOM 696 CA VAL A 46 7.341 4.296 2.527 1.00 0.34 C ATOM 697 C VAL A 46 6.172 4.121 1.542 1.00 0.34 C ATOM 698 O VAL A 46 5.880 3.007 1.116 1.00 0.39 O ATOM 699 CB VAL A 46 6.803 4.437 3.988 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.443 5.581 4.732 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.304 4.609 4.045 1.00 1.13 C ATOM 0 H VAL A 46 8.229 6.189 2.782 1.00 0.37 H new ATOM 0 HA VAL A 46 7.962 3.401 2.499 1.00 0.34 H new ATOM 0 HB VAL A 46 7.072 3.498 4.472 1.00 0.49 H new ATOM 0 HG11 VAL A 46 7.033 5.634 5.741 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.520 5.423 4.786 1.00 1.41 H new ATOM 0 HG13 VAL A 46 7.239 6.515 4.208 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.988 4.702 5.084 1.00 1.13 H new ATOM 0 HG22 VAL A 46 5.020 5.508 3.498 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.821 3.742 3.595 1.00 1.13 H new ATOM 711 N LYS A 47 5.516 5.224 1.171 1.00 0.34 N ATOM 712 CA LYS A 47 4.390 5.175 0.245 1.00 0.36 C ATOM 713 C LYS A 47 4.887 4.786 -1.135 1.00 0.39 C ATOM 714 O LYS A 47 4.253 4.006 -1.843 1.00 0.43 O ATOM 715 CB LYS A 47 3.662 6.527 0.181 1.00 0.38 C ATOM 716 CG LYS A 47 4.568 7.684 -0.201 1.00 0.49 C ATOM 717 CD LYS A 47 3.813 8.983 -0.408 1.00 0.47 C ATOM 718 CE LYS A 47 3.009 9.355 0.814 1.00 0.47 C ATOM 719 NZ LYS A 47 2.462 10.734 0.723 1.00 0.67 N ATOM 0 H LYS A 47 5.749 6.161 1.500 1.00 0.34 H new ATOM 0 HA LYS A 47 3.680 4.430 0.604 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.848 6.459 -0.541 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.211 6.734 1.151 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.316 7.825 0.579 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.104 7.432 -1.116 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.518 9.782 -0.639 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.149 8.886 -1.267 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.189 8.647 0.938 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.638 9.272 1.700 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.551 11.204 1.646 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.993 11.271 0.008 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.459 10.692 0.451 1.00 0.67 H new ATOM 733 N GLN A 48 6.038 5.338 -1.503 1.00 0.40 N ATOM 734 CA GLN A 48 6.696 4.978 -2.750 1.00 0.46 C ATOM 735 C GLN A 48 6.996 3.488 -2.800 1.00 0.45 C ATOM 736 O GLN A 48 6.868 2.868 -3.848 1.00 0.50 O ATOM 737 CB GLN A 48 7.980 5.784 -2.944 1.00 0.52 C ATOM 738 CG GLN A 48 7.766 7.106 -3.656 1.00 0.58 C ATOM 739 CD GLN A 48 7.459 6.953 -5.142 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.893 5.820 -5.533 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 7.749 7.849 -5.935 1.00 0.63 N flip ATOM 0 H GLN A 48 6.535 6.038 -0.952 1.00 0.40 H new ATOM 0 HA GLN A 48 6.012 5.218 -3.564 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.430 5.974 -1.970 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.692 5.186 -3.513 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.945 7.639 -3.176 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.658 7.722 -3.539 1.00 0.58 H new ATOM 0 HE21 GLN A 48 8.184 8.708 -5.598 1.00 0.63 H new ATOM 0 HE22 GLN A 48 7.554 7.733 -6.929 1.00 0.63 H new ATOM 750 N ALA A 49 7.389 2.925 -1.669 1.00 0.42 N ATOM 751 CA ALA A 49 7.643 1.494 -1.571 1.00 0.41 C ATOM 752 C ALA A 49 6.344 0.707 -1.610 1.00 0.39 C ATOM 753 O ALA A 49 6.241 -0.330 -2.268 1.00 0.42 O ATOM 754 CB ALA A 49 8.383 1.187 -0.282 1.00 0.42 C ATOM 0 H ALA A 49 7.540 3.439 -0.801 1.00 0.42 H new ATOM 0 HA ALA A 49 8.254 1.198 -2.424 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.569 0.115 -0.216 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.333 1.722 -0.272 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.779 1.503 0.568 1.00 0.42 H new ATOM 760 N LEU A 50 5.350 1.222 -0.908 1.00 0.38 N ATOM 761 CA LEU A 50 4.086 0.534 -0.737 1.00 0.40 C ATOM 762 C LEU A 50 3.325 0.396 -2.053 1.00 0.41 C ATOM 763 O LEU A 50 2.534 -0.525 -2.208 1.00 0.43 O ATOM 764 CB LEU A 50 3.227 1.263 0.296 1.00 0.45 C ATOM 765 CG LEU A 50 2.753 0.400 1.469 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.932 -0.057 2.309 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.750 1.155 2.326 1.00 1.20 C ATOM 0 H LEU A 50 5.398 2.128 -0.442 1.00 0.38 H new ATOM 0 HA LEU A 50 4.306 -0.473 -0.381 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.796 2.105 0.691 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.353 1.677 -0.207 1.00 0.45 H new ATOM 0 HG LEU A 50 2.258 -0.481 1.061 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.574 -0.669 3.137 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.612 -0.644 1.692 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.458 0.813 2.702 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.428 0.522 3.153 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.216 2.058 2.721 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.886 1.428 1.720 1.00 1.20 H new ATOM 779 N ARG A 51 3.577 1.277 -3.016 1.00 0.44 N ATOM 780 CA ARG A 51 2.845 1.218 -4.275 1.00 0.50 C ATOM 781 C ARG A 51 3.528 0.241 -5.212 1.00 0.52 C ATOM 782 O ARG A 51 2.911 -0.338 -6.103 1.00 0.59 O ATOM 783 CB ARG A 51 2.747 2.597 -4.918 1.00 0.53 C ATOM 784 CG ARG A 51 4.049 3.368 -4.887 1.00 0.52 C ATOM 785 CD ARG A 51 4.011 4.561 -5.813 1.00 0.73 C ATOM 786 NE ARG A 51 2.859 5.429 -5.565 1.00 1.21 N ATOM 787 CZ ARG A 51 2.342 6.259 -6.470 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.853 6.327 -7.695 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.313 7.023 -6.142 1.00 2.17 N ATOM 0 H ARG A 51 4.267 2.025 -2.952 1.00 0.44 H new ATOM 0 HA ARG A 51 1.830 0.875 -4.074 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.424 2.485 -5.953 1.00 0.53 H new ATOM 0 HB3 ARG A 51 1.978 3.175 -4.405 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.250 3.703 -3.869 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.869 2.710 -5.174 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.928 5.138 -5.694 1.00 0.73 H new ATOM 0 HD3 ARG A 51 3.984 4.214 -6.846 1.00 0.73 H new ATOM 0 HE ARG A 51 2.425 5.397 -4.642 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.648 5.741 -7.949 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.450 6.966 -8.381 1.00 1.96 H new ATOM 0 HH21 ARG A 51 0.921 6.974 -5.202 1.00 2.17 H new ATOM 0 HH22 ARG A 51 0.912 7.661 -6.829 1.00 2.17 H new ATOM 803 N GLU A 52 4.816 0.075 -4.991 1.00 0.49 N ATOM 804 CA GLU A 52 5.604 -0.923 -5.684 1.00 0.54 C ATOM 805 C GLU A 52 5.190 -2.305 -5.212 1.00 0.53 C ATOM 806 O GLU A 52 4.937 -3.207 -6.010 1.00 0.58 O ATOM 807 CB GLU A 52 7.073 -0.670 -5.389 1.00 0.59 C ATOM 808 CG GLU A 52 7.489 0.750 -5.709 1.00 0.63 C ATOM 809 CD GLU A 52 7.801 0.940 -7.179 1.00 0.87 C ATOM 810 OE1 GLU A 52 8.911 0.550 -7.607 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.938 1.469 -7.911 1.00 1.07 O ATOM 0 H GLU A 52 5.348 0.632 -4.322 1.00 0.49 H new ATOM 0 HA GLU A 52 5.440 -0.863 -6.760 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.270 -0.875 -4.337 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.682 -1.364 -5.969 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.692 1.434 -5.418 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.366 1.012 -5.117 1.00 0.63 H new ATOM 818 N ALA A 53 5.102 -2.447 -3.895 1.00 0.49 N ATOM 819 CA ALA A 53 4.607 -3.667 -3.289 1.00 0.48 C ATOM 820 C ALA A 53 3.132 -3.851 -3.610 1.00 0.49 C ATOM 821 O ALA A 53 2.650 -4.973 -3.747 1.00 0.53 O ATOM 822 CB ALA A 53 4.821 -3.630 -1.787 1.00 0.45 C ATOM 0 H ALA A 53 5.370 -1.725 -3.227 1.00 0.49 H new ATOM 0 HA ALA A 53 5.160 -4.513 -3.698 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.445 -4.552 -1.343 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.885 -3.532 -1.573 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.286 -2.779 -1.364 1.00 0.45 H new ATOM 828 N GLY A 54 2.419 -2.736 -3.715 1.00 0.49 N ATOM 829 CA GLY A 54 1.021 -2.772 -4.085 1.00 0.53 C ATOM 830 C GLY A 54 0.826 -3.419 -5.431 1.00 0.60 C ATOM 831 O GLY A 54 -0.024 -4.288 -5.589 1.00 0.70 O ATOM 0 H GLY A 54 2.790 -1.801 -3.548 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.457 -3.321 -3.331 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.622 -1.758 -4.106 1.00 0.53 H new ATOM 835 N ASP A 55 1.645 -3.012 -6.393 1.00 0.61 N ATOM 836 CA ASP A 55 1.620 -3.597 -7.727 1.00 0.69 C ATOM 837 C ASP A 55 1.997 -5.073 -7.664 1.00 0.70 C ATOM 838 O ASP A 55 1.431 -5.902 -8.376 1.00 0.79 O ATOM 839 CB ASP A 55 2.583 -2.851 -8.647 1.00 0.73 C ATOM 840 CG ASP A 55 2.507 -3.340 -10.075 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.525 -3.005 -10.766 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.430 -4.053 -10.517 1.00 0.82 O ATOM 0 H ASP A 55 2.339 -2.274 -6.272 1.00 0.61 H new ATOM 0 HA ASP A 55 0.610 -3.509 -8.127 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.357 -1.785 -8.618 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.601 -2.971 -8.278 1.00 0.73 H new ATOM 847 N GLU A 56 2.945 -5.382 -6.781 1.00 0.66 N ATOM 848 CA GLU A 56 3.390 -6.741 -6.525 1.00 0.74 C ATOM 849 C GLU A 56 2.227 -7.599 -6.020 1.00 0.77 C ATOM 850 O GLU A 56 2.205 -8.819 -6.184 1.00 0.88 O ATOM 851 CB GLU A 56 4.520 -6.689 -5.494 1.00 0.79 C ATOM 852 CG GLU A 56 5.042 -8.041 -5.077 1.00 1.24 C ATOM 853 CD GLU A 56 5.972 -8.658 -6.099 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.905 -7.966 -6.550 1.00 2.29 O ATOM 855 OE2 GLU A 56 5.801 -9.849 -6.430 1.00 1.43 O ATOM 0 H GLU A 56 3.429 -4.682 -6.218 1.00 0.66 H new ATOM 0 HA GLU A 56 3.755 -7.196 -7.446 1.00 0.74 H new ATOM 0 HB2 GLU A 56 5.344 -6.105 -5.904 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.165 -6.161 -4.609 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.568 -7.944 -4.127 1.00 1.24 H new ATOM 0 HG3 GLU A 56 4.200 -8.713 -4.908 1.00 1.24 H new ATOM 862 N PHE A 57 1.285 -6.946 -5.374 1.00 0.71 N ATOM 863 CA PHE A 57 0.060 -7.589 -4.926 1.00 0.75 C ATOM 864 C PHE A 57 -0.953 -7.680 -6.067 1.00 0.78 C ATOM 865 O PHE A 57 -1.541 -8.736 -6.312 1.00 0.91 O ATOM 866 CB PHE A 57 -0.535 -6.810 -3.747 1.00 0.76 C ATOM 867 CG PHE A 57 -1.858 -7.337 -3.268 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.967 -8.626 -2.769 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.992 -6.545 -3.320 1.00 1.71 C ATOM 870 CE1 PHE A 57 -3.184 -9.111 -2.330 1.00 1.79 C ATOM 871 CE2 PHE A 57 -4.211 -7.024 -2.883 1.00 2.29 C ATOM 872 CZ PHE A 57 -4.306 -8.309 -2.388 1.00 2.20 C ATOM 0 H PHE A 57 1.343 -5.954 -5.143 1.00 0.71 H new ATOM 0 HA PHE A 57 0.297 -8.602 -4.601 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.173 -6.829 -2.918 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.656 -5.767 -4.039 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -1.092 -9.257 -2.723 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.922 -5.539 -3.707 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -3.257 -10.116 -1.942 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -5.088 -6.395 -2.928 1.00 2.29 H new ATOM 0 HZ PHE A 57 -5.258 -8.687 -2.046 1.00 2.20 H new ATOM 882 N GLU A 58 -1.121 -6.567 -6.773 1.00 0.73 N ATOM 883 CA GLU A 58 -2.182 -6.419 -7.767 1.00 0.82 C ATOM 884 C GLU A 58 -2.084 -7.437 -8.885 1.00 0.82 C ATOM 885 O GLU A 58 -3.024 -8.187 -9.115 1.00 0.89 O ATOM 886 CB GLU A 58 -2.158 -5.027 -8.378 1.00 0.86 C ATOM 887 CG GLU A 58 -2.373 -3.921 -7.377 1.00 0.91 C ATOM 888 CD GLU A 58 -2.452 -2.565 -8.039 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.399 -2.335 -8.823 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.564 -1.720 -7.795 1.00 1.24 O ATOM 0 H GLU A 58 -0.528 -5.743 -6.674 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.118 -6.584 -7.234 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.200 -4.874 -8.874 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.928 -4.964 -9.146 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.293 -4.108 -6.823 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.558 -3.924 -6.653 1.00 0.91 H new ATOM 897 N LEU A 59 -0.948 -7.448 -9.570 1.00 0.81 N ATOM 898 CA LEU A 59 -0.764 -8.269 -10.775 1.00 0.87 C ATOM 899 C LEU A 59 -1.319 -9.693 -10.646 1.00 0.85 C ATOM 900 O LEU A 59 -1.939 -10.209 -11.572 1.00 0.96 O ATOM 901 CB LEU A 59 0.714 -8.327 -11.186 1.00 0.96 C ATOM 902 CG LEU A 59 1.774 -8.298 -10.072 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.481 -9.288 -8.977 1.00 1.54 C ATOM 904 CD2 LEU A 59 3.114 -8.636 -10.652 1.00 1.46 C ATOM 0 H LEU A 59 -0.130 -6.895 -9.314 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.345 -7.771 -11.552 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.864 -9.237 -11.766 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.908 -7.488 -11.854 1.00 0.96 H new ATOM 0 HG LEU A 59 1.763 -7.295 -9.645 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.258 -9.228 -8.215 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.515 -9.059 -8.528 1.00 1.54 H new ATOM 0 HD13 LEU A 59 1.458 -10.295 -9.394 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.867 -8.616 -9.864 1.00 1.46 H new ATOM 0 HD22 LEU A 59 3.078 -9.631 -11.095 1.00 1.46 H new ATOM 0 HD23 LEU A 59 3.373 -7.907 -11.420 1.00 1.46 H new ATOM 916 N ARG A 60 -1.105 -10.310 -9.498 1.00 0.83 N ATOM 917 CA ARG A 60 -1.497 -11.690 -9.286 1.00 0.90 C ATOM 918 C ARG A 60 -3.019 -11.858 -9.268 1.00 0.98 C ATOM 919 O ARG A 60 -3.559 -12.780 -9.883 1.00 1.15 O ATOM 920 CB ARG A 60 -0.885 -12.215 -7.986 1.00 1.03 C ATOM 921 CG ARG A 60 0.593 -12.545 -8.110 1.00 1.00 C ATOM 922 CD ARG A 60 1.236 -12.813 -6.759 1.00 1.07 C ATOM 923 NE ARG A 60 2.605 -13.305 -6.902 1.00 1.41 N ATOM 924 CZ ARG A 60 3.694 -12.537 -6.823 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.585 -11.234 -6.593 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.896 -13.078 -6.975 1.00 2.58 N ATOM 0 H ARG A 60 -0.658 -9.872 -8.693 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.118 -12.274 -10.124 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.020 -11.470 -7.202 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.425 -13.109 -7.673 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.716 -13.419 -8.749 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.109 -11.718 -8.598 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.238 -11.897 -6.168 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.641 -13.544 -6.211 1.00 1.07 H new ATOM 0 HE ARG A 60 2.737 -14.302 -7.074 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.664 -10.812 -6.475 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.422 -10.655 -6.534 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.986 -14.078 -7.152 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.730 -12.493 -6.915 1.00 2.58 H new ATOM 940 N TYR A 61 -3.710 -10.978 -8.547 1.00 1.04 N ATOM 941 CA TYR A 61 -5.166 -11.052 -8.447 1.00 1.26 C ATOM 942 C TYR A 61 -5.838 -10.189 -9.518 1.00 1.32 C ATOM 943 O TYR A 61 -7.060 -10.169 -9.623 1.00 1.59 O ATOM 944 CB TYR A 61 -5.651 -10.650 -7.041 1.00 1.52 C ATOM 945 CG TYR A 61 -5.869 -9.162 -6.837 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.825 -8.324 -6.474 1.00 2.70 C ATOM 947 CD2 TYR A 61 -7.131 -8.599 -7.004 1.00 2.84 C ATOM 948 CE1 TYR A 61 -5.030 -6.970 -6.287 1.00 3.67 C ATOM 949 CE2 TYR A 61 -7.341 -7.247 -6.820 1.00 3.86 C ATOM 950 CZ TYR A 61 -6.289 -6.437 -6.462 1.00 4.23 C ATOM 951 OH TYR A 61 -6.492 -5.090 -6.280 1.00 5.32 O ATOM 0 H TYR A 61 -3.288 -10.209 -8.026 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.453 -12.089 -8.618 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.586 -11.170 -6.833 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.923 -10.999 -6.309 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.836 -8.736 -6.335 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.961 -9.231 -7.283 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -4.206 -6.331 -6.005 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.327 -6.827 -6.957 1.00 3.86 H new ATOM 0 HH TYR A 61 -7.434 -4.876 -6.443 1.00 5.32 H new ATOM 961 N ARG A 62 -5.024 -9.469 -10.290 1.00 1.28 N ATOM 962 CA ARG A 62 -5.502 -8.500 -11.285 1.00 1.39 C ATOM 963 C ARG A 62 -6.679 -9.028 -12.098 1.00 1.07 C ATOM 964 O ARG A 62 -7.695 -8.353 -12.231 1.00 1.30 O ATOM 965 CB ARG A 62 -4.365 -8.117 -12.238 1.00 1.72 C ATOM 966 CG ARG A 62 -4.783 -7.146 -13.334 1.00 2.15 C ATOM 967 CD ARG A 62 -5.005 -5.744 -12.792 1.00 2.51 C ATOM 968 NE ARG A 62 -3.747 -5.111 -12.403 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.643 -4.139 -11.497 1.00 3.59 C ATOM 970 NH1 ARG A 62 -4.722 -3.672 -10.884 1.00 3.59 N ATOM 971 NH2 ARG A 62 -2.458 -3.618 -11.218 1.00 4.48 N ATOM 0 H ARG A 62 -4.007 -9.540 -10.245 1.00 1.28 H new ATOM 0 HA ARG A 62 -5.844 -7.625 -10.732 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -3.554 -7.672 -11.661 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -3.969 -9.022 -12.699 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -4.016 -7.119 -14.108 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.699 -7.503 -13.805 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -5.500 -5.135 -13.548 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -5.672 -5.788 -11.931 1.00 2.51 H new ATOM 0 HE ARG A 62 -2.892 -5.434 -12.855 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -5.641 -4.057 -11.105 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -4.633 -2.928 -10.192 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -1.625 -3.961 -11.696 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -2.378 -2.874 -10.525 1.00 4.48 H new ATOM 985 N ARG A 63 -6.538 -10.234 -12.626 1.00 0.98 N ATOM 986 CA ARG A 63 -7.550 -10.824 -13.499 1.00 1.19 C ATOM 987 C ARG A 63 -8.851 -11.131 -12.752 1.00 1.20 C ATOM 988 O ARG A 63 -9.872 -11.417 -13.372 1.00 1.45 O ATOM 989 CB ARG A 63 -7.000 -12.103 -14.127 1.00 1.61 C ATOM 990 CG ARG A 63 -6.765 -13.214 -13.120 1.00 2.18 C ATOM 991 CD ARG A 63 -5.915 -14.323 -13.703 1.00 2.52 C ATOM 992 NE ARG A 63 -4.532 -13.899 -13.910 1.00 3.12 N ATOM 993 CZ ARG A 63 -3.686 -14.508 -14.734 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.108 -15.508 -15.499 1.00 4.07 N ATOM 995 NH2 ARG A 63 -2.422 -14.107 -14.804 1.00 4.72 N ATOM 0 H ARG A 63 -5.726 -10.830 -12.465 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.784 -10.095 -14.275 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -7.696 -12.454 -14.889 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.062 -11.876 -14.633 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -6.276 -12.807 -12.235 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -7.723 -13.621 -12.796 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.934 -15.184 -13.035 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -6.342 -14.646 -14.653 1.00 2.52 H new ATOM 0 HE ARG A 63 -4.196 -13.088 -13.391 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.082 -15.809 -15.454 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -3.459 -15.975 -16.132 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -2.100 -13.331 -14.225 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -1.773 -14.575 -15.437 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.804 -11.096 -11.427 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.980 -11.363 -10.608 1.00 1.09 C ATOM 1011 C ALA A 64 -10.739 -10.083 -10.270 1.00 1.08 C ATOM 1012 O ALA A 64 -11.944 -10.119 -10.046 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.577 -12.075 -9.326 1.00 1.17 C ATOM 0 H ALA A 64 -7.960 -10.884 -10.894 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.644 -12.003 -11.189 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.464 -12.269 -8.723 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.092 -13.020 -9.572 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.886 -11.448 -8.763 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.024 -8.959 -10.248 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.562 -7.685 -9.751 1.00 1.22 C ATOM 1021 C PHE A 65 -11.932 -7.340 -10.343 1.00 1.19 C ATOM 1022 O PHE A 65 -12.851 -6.969 -9.615 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.571 -6.550 -10.035 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.084 -5.185 -9.667 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.194 -4.808 -8.339 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.459 -4.283 -10.650 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.668 -3.556 -7.999 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.933 -3.028 -10.315 1.00 2.59 C ATOM 1029 CZ PHE A 65 -11.038 -2.665 -8.987 1.00 2.81 C ATOM 0 H PHE A 65 -9.059 -8.901 -10.572 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.701 -7.801 -8.676 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.649 -6.741 -9.486 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.318 -6.559 -11.095 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -9.906 -5.500 -7.561 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -10.380 -4.564 -11.690 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -10.749 -3.274 -6.960 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -11.220 -2.333 -11.090 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.409 -1.686 -8.721 1.00 2.81 H new ATOM 1039 N SER A 66 -12.073 -7.480 -11.651 1.00 1.20 N ATOM 1040 CA SER A 66 -13.303 -7.082 -12.324 1.00 1.24 C ATOM 1041 C SER A 66 -14.464 -7.995 -11.924 1.00 1.13 C ATOM 1042 O SER A 66 -15.584 -7.534 -11.703 1.00 1.16 O ATOM 1043 CB SER A 66 -13.101 -7.094 -13.843 1.00 1.45 C ATOM 1044 OG SER A 66 -14.252 -6.625 -14.524 1.00 2.19 O ATOM 0 H SER A 66 -11.356 -7.864 -12.267 1.00 1.20 H new ATOM 0 HA SER A 66 -13.554 -6.068 -12.014 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.245 -6.471 -14.102 1.00 1.45 H new ATOM 0 HB3 SER A 66 -12.870 -8.107 -14.172 1.00 1.45 H new ATOM 0 HG SER A 66 -14.091 -6.644 -15.490 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.179 -9.286 -11.815 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.181 -10.273 -11.423 1.00 1.08 C ATOM 1052 C ASP A 67 -15.542 -10.129 -9.953 1.00 0.97 C ATOM 1053 O ASP A 67 -16.709 -10.248 -9.570 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.661 -11.696 -11.663 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.708 -12.123 -13.116 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -13.845 -11.683 -13.902 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -15.600 -12.920 -13.476 1.00 2.06 O ATOM 0 H ASP A 67 -13.255 -9.678 -11.994 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.067 -10.096 -12.033 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.633 -11.763 -11.307 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.251 -12.394 -11.069 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.531 -9.860 -9.134 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.683 -9.881 -7.687 1.00 0.85 C ATOM 1064 C LEU A 68 -15.635 -8.809 -7.167 1.00 0.76 C ATOM 1065 O LEU A 68 -16.161 -8.965 -6.082 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.320 -9.770 -6.986 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.614 -11.099 -6.678 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.755 -12.087 -7.821 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.146 -10.858 -6.369 1.00 1.56 C ATOM 0 H LEU A 68 -13.591 -9.623 -9.453 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.131 -10.845 -7.446 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.660 -9.166 -7.610 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.457 -9.228 -6.050 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.097 -11.534 -5.803 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.243 -13.014 -7.566 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.811 -12.292 -7.996 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.313 -11.665 -8.723 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.659 -11.809 -6.153 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.665 -10.391 -7.229 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.059 -10.201 -5.504 1.00 1.56 H new ATOM 1081 N THR A 69 -15.895 -7.750 -7.930 1.00 0.70 N ATOM 1082 CA THR A 69 -16.797 -6.694 -7.452 1.00 0.62 C ATOM 1083 C THR A 69 -18.167 -7.258 -7.103 1.00 0.63 C ATOM 1084 O THR A 69 -18.811 -6.825 -6.144 1.00 0.60 O ATOM 1085 CB THR A 69 -16.975 -5.562 -8.475 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.076 -6.094 -9.804 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.832 -4.578 -8.386 1.00 0.63 C ATOM 0 H THR A 69 -15.507 -7.597 -8.861 1.00 0.70 H new ATOM 0 HA THR A 69 -16.327 -6.281 -6.560 1.00 0.62 H new ATOM 0 HB THR A 69 -17.901 -5.035 -8.243 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.691 -5.457 -10.441 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.977 -3.784 -9.119 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.800 -4.147 -7.385 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.893 -5.092 -8.589 1.00 0.63 H new ATOM 1095 N SER A 70 -18.591 -8.245 -7.875 1.00 0.72 N ATOM 1096 CA SER A 70 -19.853 -8.915 -7.636 1.00 0.80 C ATOM 1097 C SER A 70 -19.738 -9.790 -6.393 1.00 0.76 C ATOM 1098 O SER A 70 -20.723 -10.067 -5.710 1.00 0.76 O ATOM 1099 CB SER A 70 -20.211 -9.772 -8.847 1.00 0.96 C ATOM 1100 OG SER A 70 -21.595 -10.079 -8.870 1.00 1.34 O ATOM 0 H SER A 70 -18.073 -8.600 -8.678 1.00 0.72 H new ATOM 0 HA SER A 70 -20.637 -8.174 -7.478 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.938 -9.245 -9.761 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.632 -10.695 -8.826 1.00 0.96 H new ATOM 0 HG SER A 70 -21.795 -10.627 -9.657 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.514 -10.196 -6.101 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.231 -11.060 -4.971 1.00 0.77 C ATOM 1108 C GLN A 71 -18.097 -10.232 -3.698 1.00 0.67 C ATOM 1109 O GLN A 71 -18.534 -10.655 -2.628 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.960 -11.865 -5.238 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.944 -12.503 -6.612 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.907 -13.595 -6.739 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.858 -13.506 -5.942 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -16.058 -14.524 -7.531 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.689 -9.935 -6.642 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.057 -11.758 -4.835 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.094 -11.211 -5.136 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.863 -12.643 -4.481 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.929 -12.917 -6.827 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.751 -11.736 -7.362 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.884 -14.555 -8.129 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.358 -15.263 -7.589 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.489 -9.050 -3.816 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.486 -8.089 -2.730 1.00 0.55 C ATOM 1125 C LEU A 72 -18.901 -7.595 -2.478 1.00 0.47 C ATOM 1126 O LEU A 72 -19.276 -7.311 -1.346 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.622 -6.870 -3.074 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.103 -7.005 -2.933 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.725 -7.511 -1.558 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.509 -7.870 -4.028 1.00 1.35 C ATOM 0 H LEU A 72 -16.995 -8.743 -4.654 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.083 -8.588 -1.849 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.838 -6.587 -4.104 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.944 -6.043 -2.442 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.676 -6.009 -3.048 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.641 -7.597 -1.487 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.084 -6.813 -0.802 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.178 -8.489 -1.393 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.430 -7.940 -3.891 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.946 -8.867 -3.981 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.723 -7.425 -5.000 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.686 -7.514 -3.553 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.025 -6.930 -3.497 1.00 0.48 C ATOM 1144 C HIS A 73 -20.881 -5.442 -3.239 1.00 0.43 C ATOM 1145 O HIS A 73 -21.603 -4.846 -2.440 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.903 -7.597 -2.429 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.252 -9.013 -2.755 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -21.726 -10.089 -2.083 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.070 -9.525 -3.702 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -22.197 -11.204 -2.606 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.018 -10.891 -3.592 1.00 2.62 N ATOM 0 H HIS A 73 -19.415 -7.848 -4.478 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.530 -7.099 -4.448 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.383 -7.569 -1.471 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.821 -7.021 -2.311 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.656 -8.962 -4.414 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -21.953 -12.205 -2.282 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.528 -11.555 -4.175 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.900 -4.880 -3.936 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.553 -3.474 -3.864 1.00 0.41 C ATOM 1162 C ILE A 74 -20.769 -2.579 -4.044 1.00 0.49 C ATOM 1163 O ILE A 74 -21.424 -2.581 -5.093 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.498 -3.170 -4.934 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.242 -3.978 -4.637 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.177 -1.691 -4.989 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.499 -3.505 -3.405 1.00 0.39 C ATOM 0 H ILE A 74 -19.312 -5.407 -4.582 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.151 -3.265 -2.873 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.895 -3.452 -5.909 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.515 -5.025 -4.508 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.574 -3.927 -5.497 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.426 -1.510 -5.758 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.081 -1.131 -5.226 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.792 -1.366 -4.022 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.615 -4.125 -3.253 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.195 -2.467 -3.539 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.151 -3.583 -2.535 1.00 0.39 H new ATOM 1179 N THR A 75 -21.056 -1.828 -3.002 1.00 0.38 N ATOM 1180 CA THR A 75 -22.249 -1.024 -2.924 1.00 0.40 C ATOM 1181 C THR A 75 -22.010 0.055 -1.845 1.00 0.37 C ATOM 1182 O THR A 75 -20.860 0.230 -1.439 1.00 0.34 O ATOM 1183 CB THR A 75 -23.447 -1.970 -2.602 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.650 -1.509 -3.228 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.668 -2.125 -1.104 1.00 0.46 C ATOM 0 H THR A 75 -20.459 -1.760 -2.178 1.00 0.38 H new ATOM 0 HA THR A 75 -22.485 -0.513 -3.857 1.00 0.40 H new ATOM 0 HB THR A 75 -23.190 -2.949 -3.006 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.386 -2.120 -3.012 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.512 -2.792 -0.928 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.772 -2.544 -0.646 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.878 -1.150 -0.664 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.040 0.845 -1.442 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.046 1.666 -0.224 1.00 0.37 C ATOM 1195 C PRO A 76 -22.186 1.134 0.932 1.00 0.35 C ATOM 1196 O PRO A 76 -21.758 -0.016 0.927 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.525 1.655 0.166 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.284 1.358 -1.092 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.275 1.094 -2.180 1.00 0.44 C ATOM 0 HA PRO A 76 -22.613 2.648 -0.416 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.722 0.900 0.927 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.825 2.616 0.585 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.933 0.493 -0.953 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.925 2.198 -1.360 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.558 0.237 -2.791 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.177 1.946 -2.852 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.980 2.020 1.920 1.00 0.36 N ATOM 1208 CA GLY A 77 -21.040 1.843 3.039 1.00 0.37 C ATOM 1209 C GLY A 77 -20.746 0.420 3.508 1.00 0.38 C ATOM 1210 O GLY A 77 -19.651 0.159 4.003 1.00 0.40 O ATOM 0 H GLY A 77 -22.480 2.908 1.963 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.094 2.304 2.757 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.426 2.403 3.891 1.00 0.37 H new ATOM 1214 N THR A 78 -21.686 -0.500 3.351 1.00 0.40 N ATOM 1215 CA THR A 78 -21.504 -1.874 3.794 1.00 0.42 C ATOM 1216 C THR A 78 -20.422 -2.605 2.994 1.00 0.38 C ATOM 1217 O THR A 78 -20.189 -3.798 3.196 1.00 0.40 O ATOM 1218 CB THR A 78 -22.822 -2.654 3.711 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.369 -2.566 2.386 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.811 -2.094 4.714 1.00 0.56 C ATOM 0 H THR A 78 -22.590 -0.317 2.916 1.00 0.40 H new ATOM 0 HA THR A 78 -21.176 -1.825 4.832 1.00 0.42 H new ATOM 0 HB THR A 78 -22.628 -3.702 3.942 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.209 -3.069 2.345 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.746 -2.650 4.652 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.400 -2.185 5.720 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.999 -1.043 4.492 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.736 -1.878 2.120 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.607 -2.420 1.390 1.00 0.31 C ATOM 1230 C ALA A 79 -17.433 -2.648 2.335 1.00 0.30 C ATOM 1231 O ALA A 79 -16.464 -3.319 1.989 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.212 -1.494 0.249 1.00 0.32 C ATOM 0 H ALA A 79 -19.948 -0.904 1.902 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.896 -3.379 0.960 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.363 -1.918 -0.287 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.053 -1.381 -0.435 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.937 -0.519 0.651 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.531 -2.098 3.545 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.519 -2.340 4.568 1.00 0.36 C ATOM 1240 C TYR A 80 -16.715 -3.732 5.152 1.00 0.36 C ATOM 1241 O TYR A 80 -15.826 -4.290 5.789 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.576 -1.277 5.674 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.636 -1.504 6.735 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.973 -1.223 6.491 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -17.289 -1.986 7.994 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.933 -1.413 7.464 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -18.245 -2.184 8.972 1.00 2.52 C ATOM 1248 CZ TYR A 80 -19.564 -1.894 8.703 1.00 3.12 C ATOM 1249 OH TYR A 80 -20.521 -2.080 9.676 1.00 4.13 O ATOM 0 H TYR A 80 -18.294 -1.488 3.837 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.534 -2.276 4.106 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.602 -1.230 6.161 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.749 -0.305 5.213 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -19.268 -0.849 5.522 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -16.255 -2.209 8.210 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.968 -1.186 7.256 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.959 -2.564 9.942 1.00 2.52 H new ATOM 0 HH TYR A 80 -20.097 -2.425 10.490 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.898 -4.277 4.919 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.210 -5.646 5.292 1.00 0.41 C ATOM 1261 C GLN A 81 -17.744 -6.595 4.197 1.00 0.41 C ATOM 1262 O GLN A 81 -17.565 -7.793 4.409 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.709 -5.793 5.532 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.144 -5.368 6.925 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.650 -5.318 7.082 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.288 -6.323 7.385 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.225 -4.137 6.908 1.00 0.79 N ATOM 0 H GLN A 81 -18.667 -3.783 4.467 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.689 -5.897 6.216 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.247 -5.198 4.794 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.994 -6.833 5.372 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.730 -6.062 7.657 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.728 -4.385 7.146 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.659 -3.326 6.657 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.233 -4.038 7.026 1.00 0.79 H new ATOM 1276 N SER A 82 -17.562 -6.029 3.026 1.00 0.39 N ATOM 1277 CA SER A 82 -16.985 -6.733 1.891 1.00 0.41 C ATOM 1278 C SER A 82 -15.469 -6.730 2.004 1.00 0.41 C ATOM 1279 O SER A 82 -14.824 -7.778 1.969 1.00 0.48 O ATOM 1280 CB SER A 82 -17.416 -6.038 0.607 1.00 0.41 C ATOM 1281 OG SER A 82 -18.801 -5.743 0.647 1.00 0.43 O ATOM 0 H SER A 82 -17.810 -5.060 2.827 1.00 0.39 H new ATOM 0 HA SER A 82 -17.333 -7.766 1.879 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.845 -5.119 0.474 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.198 -6.675 -0.250 1.00 0.41 H new ATOM 0 HG SER A 82 -19.298 -6.440 0.170 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.914 -5.535 2.166 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.489 -5.364 2.401 1.00 0.37 C ATOM 1289 C PHE A 83 -13.092 -6.023 3.717 1.00 0.38 C ATOM 1290 O PHE A 83 -11.917 -6.268 3.989 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.125 -3.877 2.386 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.651 -3.620 2.516 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.802 -3.848 1.446 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.115 -3.163 3.707 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.446 -3.624 1.561 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.760 -2.934 3.826 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.923 -3.165 2.752 1.00 1.18 C ATOM 0 H PHE A 83 -15.439 -4.661 2.138 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.932 -5.851 1.601 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.483 -3.433 1.457 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.647 -3.375 3.201 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.206 -4.205 0.511 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.764 -2.984 4.552 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.794 -3.808 0.720 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.353 -2.574 4.759 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.862 -2.987 2.844 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.093 -6.297 4.533 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.908 -7.043 5.767 1.00 0.48 C ATOM 1309 C GLU A 84 -13.233 -8.366 5.486 1.00 0.52 C ATOM 1310 O GLU A 84 -12.259 -8.727 6.130 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.249 -7.332 6.415 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.127 -8.066 7.728 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.434 -8.155 8.476 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.245 -9.048 8.159 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.658 -7.331 9.382 1.00 0.80 O ATOM 0 H GLU A 84 -15.056 -6.010 4.361 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.291 -6.439 6.432 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.777 -6.392 6.579 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.857 -7.924 5.730 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.752 -9.072 7.542 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.390 -7.561 8.353 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.785 -9.081 4.518 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.249 -10.360 4.073 1.00 0.65 C ATOM 1324 C GLN A 85 -11.765 -10.255 3.792 1.00 0.64 C ATOM 1325 O GLN A 85 -11.007 -11.200 4.000 1.00 0.71 O ATOM 1326 CB GLN A 85 -13.967 -10.795 2.804 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.455 -10.928 2.983 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.113 -11.695 1.864 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -15.500 -12.566 1.244 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.367 -11.394 1.611 1.00 1.62 N ATOM 0 H GLN A 85 -14.623 -8.789 4.015 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.404 -11.093 4.864 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -13.765 -10.072 2.014 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -13.560 -11.751 2.473 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -15.659 -11.429 3.929 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -15.899 -9.934 3.046 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -17.835 -10.665 2.150 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -17.872 -11.889 0.876 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.371 -9.082 3.346 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.005 -8.817 2.964 1.00 0.62 C ATOM 1341 C VAL A 86 -9.161 -8.529 4.186 1.00 0.55 C ATOM 1342 O VAL A 86 -8.141 -9.159 4.418 1.00 0.59 O ATOM 1343 CB VAL A 86 -9.921 -7.613 2.032 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -8.682 -7.741 1.182 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.182 -7.491 1.191 1.00 1.30 C ATOM 0 H VAL A 86 -11.995 -8.282 3.238 1.00 0.58 H new ATOM 0 HA VAL A 86 -9.633 -9.704 2.450 1.00 0.62 H new ATOM 0 HB VAL A 86 -9.849 -6.696 2.616 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -8.611 -6.885 0.511 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -7.802 -7.772 1.824 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -8.736 -8.658 0.596 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.099 -6.625 0.534 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.307 -8.392 0.590 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.045 -7.369 1.845 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.603 -7.581 4.987 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.874 -7.223 6.186 1.00 0.51 C ATOM 1357 C VAL A 87 -8.790 -8.437 7.108 1.00 0.56 C ATOM 1358 O VAL A 87 -7.883 -8.567 7.927 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.538 -6.030 6.904 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.861 -6.419 7.546 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.590 -5.431 7.918 1.00 0.85 C ATOM 0 H VAL A 87 -10.458 -7.048 4.831 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.866 -6.914 5.909 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.763 -5.272 6.153 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.295 -5.550 8.041 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.546 -6.779 6.778 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.692 -7.207 8.280 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.073 -4.590 8.416 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.323 -6.186 8.657 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.689 -5.084 7.413 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.741 -9.337 6.913 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.812 -10.595 7.635 1.00 0.71 C ATOM 1373 C ASN A 88 -8.827 -11.624 7.092 1.00 0.78 C ATOM 1374 O ASN A 88 -8.219 -12.369 7.863 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.225 -11.143 7.563 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.026 -10.810 8.805 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.066 -11.583 9.756 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.665 -9.652 8.807 1.00 0.73 N ATOM 0 H ASN A 88 -10.496 -9.211 6.239 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.540 -10.399 8.672 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.728 -10.735 6.687 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.188 -12.225 7.434 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.216 -9.375 9.620 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.607 -9.036 7.996 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.659 -11.670 5.770 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.717 -12.607 5.174 1.00 0.84 C ATOM 1387 C GLU A 89 -6.325 -12.108 5.435 1.00 0.82 C ATOM 1388 O GLU A 89 -5.392 -12.874 5.625 1.00 0.98 O ATOM 1389 CB GLU A 89 -7.949 -12.802 3.656 1.00 0.87 C ATOM 1390 CG GLU A 89 -7.992 -11.536 2.809 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.654 -10.962 2.430 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.624 -11.485 2.874 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.642 -9.979 1.671 1.00 2.87 O ATOM 0 H GLU A 89 -9.156 -11.078 5.104 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.867 -13.585 5.631 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.158 -13.445 3.269 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -8.889 -13.336 3.520 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.547 -11.750 1.896 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.553 -10.776 3.352 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.213 -10.802 5.476 1.00 0.69 N ATOM 1401 CA LEU A 90 -4.935 -10.159 5.590 1.00 0.64 C ATOM 1402 C LEU A 90 -4.319 -10.444 6.964 1.00 0.70 C ATOM 1403 O LEU A 90 -3.144 -10.790 7.094 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.108 -8.648 5.401 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.627 -8.025 4.075 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.171 -9.038 3.055 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.726 -7.177 3.475 1.00 1.28 C ATOM 0 H LEU A 90 -7.005 -10.161 5.431 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.268 -10.549 4.821 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.167 -8.416 5.514 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.584 -8.147 6.215 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.758 -7.417 4.327 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.848 -8.523 2.150 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.340 -9.614 3.461 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -4.995 -9.710 2.816 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.379 -6.740 2.539 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.601 -7.798 3.283 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -5.992 -6.381 4.170 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.145 -10.341 7.990 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.672 -10.365 9.369 1.00 0.82 C ATOM 1421 C PHE A 91 -4.850 -11.747 9.985 1.00 0.91 C ATOM 1422 O PHE A 91 -4.670 -11.939 11.186 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.418 -9.295 10.170 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.576 -9.789 10.999 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.741 -10.241 10.402 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -6.495 -9.792 12.382 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.800 -10.686 11.166 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -7.550 -10.236 13.151 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.705 -10.685 12.543 1.00 2.23 C ATOM 0 H PHE A 91 -6.156 -10.239 7.896 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.605 -10.145 9.390 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.707 -8.800 10.831 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.787 -8.540 9.476 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.821 -10.245 9.325 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.594 -9.442 12.864 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.703 -11.035 10.687 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -7.473 -10.232 14.228 1.00 1.75 H new ATOM 0 HZ PHE A 91 -9.532 -11.035 13.143 1.00 2.23 H new ATOM 1439 N ARG A 92 -5.185 -12.716 9.152 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.348 -14.092 9.620 1.00 1.11 C ATOM 1441 C ARG A 92 -4.028 -14.628 10.184 1.00 0.83 C ATOM 1442 O ARG A 92 -4.013 -15.550 10.995 1.00 0.90 O ATOM 1443 CB ARG A 92 -5.902 -14.991 8.503 1.00 1.53 C ATOM 1444 CG ARG A 92 -4.878 -15.814 7.731 1.00 1.62 C ATOM 1445 CD ARG A 92 -4.000 -14.960 6.840 1.00 2.21 C ATOM 1446 NE ARG A 92 -3.375 -15.750 5.784 1.00 3.27 N ATOM 1447 CZ ARG A 92 -2.117 -15.611 5.380 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -1.297 -14.785 6.015 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -1.679 -16.327 4.356 1.00 5.06 N ATOM 0 H ARG A 92 -5.350 -12.583 8.154 1.00 0.96 H new ATOM 0 HA ARG A 92 -6.078 -14.099 10.429 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.629 -15.674 8.942 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.442 -14.363 7.794 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -4.252 -16.362 8.435 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -5.396 -16.555 7.122 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -4.597 -14.164 6.395 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -3.228 -14.480 7.441 1.00 2.21 H new ATOM 0 HE ARG A 92 -3.945 -16.460 5.323 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -1.631 -14.252 6.818 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -0.332 -14.682 5.700 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -2.306 -16.979 3.884 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -0.715 -16.227 4.039 1.00 5.06 H new ATOM 1463 N ASP A 93 -2.921 -14.037 9.745 1.00 0.84 N ATOM 1464 CA ASP A 93 -1.617 -14.292 10.361 1.00 1.10 C ATOM 1465 C ASP A 93 -1.320 -13.197 11.374 1.00 1.31 C ATOM 1466 O ASP A 93 -0.652 -13.406 12.383 1.00 1.88 O ATOM 1467 CB ASP A 93 -0.515 -14.355 9.306 1.00 1.65 C ATOM 1468 CG ASP A 93 0.855 -14.541 9.926 1.00 2.40 C ATOM 1469 OD1 ASP A 93 1.166 -15.669 10.359 1.00 2.58 O ATOM 1470 OD2 ASP A 93 1.620 -13.558 9.985 1.00 3.12 O ATOM 0 H ASP A 93 -2.898 -13.379 8.966 1.00 0.84 H new ATOM 0 HA ASP A 93 -1.647 -15.258 10.866 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -0.717 -15.177 8.620 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -0.525 -13.438 8.717 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.840 -12.033 11.065 1.00 1.11 N ATOM 1476 CA GLY A 94 -1.938 -10.942 12.009 1.00 1.69 C ATOM 1477 C GLY A 94 -1.420 -9.634 11.463 1.00 1.62 C ATOM 1478 O GLY A 94 -2.021 -8.603 11.744 1.00 2.31 O ATOM 0 H GLY A 94 -2.212 -11.813 10.141 1.00 1.11 H new ATOM 0 HA2 GLY A 94 -2.980 -10.818 12.304 1.00 1.69 H new ATOM 0 HA3 GLY A 94 -1.380 -11.198 12.910 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.281 -9.676 10.750 1.00 0.85 N ATOM 1483 CA VAL A 95 0.133 -8.673 9.762 1.00 0.67 C ATOM 1484 C VAL A 95 1.587 -8.880 9.367 1.00 0.62 C ATOM 1485 O VAL A 95 2.456 -9.065 10.216 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.126 -7.225 10.220 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.932 -6.240 9.725 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.482 -6.811 9.720 1.00 1.06 C ATOM 0 H VAL A 95 0.395 -10.433 10.851 1.00 0.85 H new ATOM 0 HA VAL A 95 -0.493 -8.822 8.882 1.00 0.67 H new ATOM 0 HB VAL A 95 -0.079 -7.202 11.309 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.692 -5.238 10.082 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.910 -6.535 10.105 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.950 -6.242 8.635 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.688 -5.787 10.033 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.502 -6.869 8.632 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -2.241 -7.476 10.133 1.00 1.06 H new ATOM 1498 N ASN A 96 1.823 -8.893 8.076 1.00 0.76 N ATOM 1499 CA ASN A 96 3.165 -9.020 7.528 1.00 0.86 C ATOM 1500 C ASN A 96 3.566 -7.707 6.868 1.00 0.72 C ATOM 1501 O ASN A 96 2.724 -6.822 6.695 1.00 0.62 O ATOM 1502 CB ASN A 96 3.202 -10.153 6.495 1.00 1.17 C ATOM 1503 CG ASN A 96 2.390 -11.363 6.923 1.00 1.47 C ATOM 1504 OD1 ASN A 96 1.800 -12.048 6.089 1.00 2.12 O ATOM 1505 ND2 ASN A 96 2.336 -11.618 8.222 1.00 1.67 N ATOM 0 H ASN A 96 1.092 -8.816 7.369 1.00 0.76 H new ATOM 0 HA ASN A 96 3.864 -9.252 8.332 1.00 0.86 H new ATOM 0 HB2 ASN A 96 2.821 -9.784 5.543 1.00 1.17 H new ATOM 0 HB3 ASN A 96 4.236 -10.455 6.329 1.00 1.17 H new ATOM 0 HD21 ASN A 96 1.790 -12.408 8.564 1.00 1.67 H new ATOM 0 HD22 ASN A 96 2.841 -11.024 8.880 1.00 1.67 H new ATOM 1512 N TRP A 97 4.834 -7.581 6.495 1.00 0.77 N ATOM 1513 CA TRP A 97 5.304 -6.410 5.760 1.00 0.72 C ATOM 1514 C TRP A 97 4.473 -6.196 4.496 1.00 0.63 C ATOM 1515 O TRP A 97 3.848 -5.150 4.319 1.00 0.59 O ATOM 1516 CB TRP A 97 6.781 -6.563 5.384 1.00 0.86 C ATOM 1517 CG TRP A 97 7.720 -6.475 6.549 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.138 -5.336 7.179 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.373 -7.564 7.212 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.015 -5.652 8.189 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.170 -7.013 8.233 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.360 -8.952 7.043 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 9.946 -7.800 9.079 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.130 -9.732 7.886 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.912 -9.153 8.892 1.00 3.34 C ATOM 0 H TRP A 97 5.556 -8.275 6.689 1.00 0.77 H new ATOM 0 HA TRP A 97 5.192 -5.542 6.409 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.921 -7.524 4.889 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.043 -5.791 4.661 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.825 -4.335 6.921 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.476 -4.983 8.805 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.760 -9.406 6.269 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.553 -7.357 9.855 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.128 -10.805 7.766 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.502 -9.790 9.535 1.00 3.34 H new ATOM 1536 N GLY A 98 4.452 -7.210 3.635 1.00 0.69 N ATOM 1537 CA GLY A 98 3.696 -7.133 2.396 1.00 0.69 C ATOM 1538 C GLY A 98 2.195 -7.162 2.623 1.00 0.62 C ATOM 1539 O GLY A 98 1.409 -6.846 1.732 1.00 0.61 O ATOM 0 H GLY A 98 4.949 -8.090 3.775 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.962 -6.217 1.869 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.978 -7.965 1.751 1.00 0.69 H new ATOM 1543 N ARG A 99 1.803 -7.534 3.827 1.00 0.65 N ATOM 1544 CA ARG A 99 0.400 -7.678 4.178 1.00 0.67 C ATOM 1545 C ARG A 99 -0.291 -6.323 4.227 1.00 0.53 C ATOM 1546 O ARG A 99 -1.410 -6.163 3.742 1.00 0.55 O ATOM 1547 CB ARG A 99 0.299 -8.343 5.538 1.00 0.82 C ATOM 1548 CG ARG A 99 -1.068 -8.893 5.872 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.503 -9.910 4.842 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.595 -11.052 4.749 1.00 2.48 N ATOM 1551 CZ ARG A 99 -0.805 -12.101 3.956 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -1.904 -12.172 3.215 1.00 3.44 N ATOM 1553 NH2 ARG A 99 0.079 -13.089 3.922 1.00 4.24 N ATOM 0 H ARG A 99 2.446 -7.745 4.590 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.091 -8.287 3.419 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.024 -9.156 5.585 1.00 0.82 H new ATOM 0 HB3 ARG A 99 0.581 -7.620 6.303 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -1.048 -9.354 6.859 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -1.792 -8.079 5.915 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.502 -10.267 5.091 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -1.571 -9.426 3.868 1.00 1.50 H new ATOM 0 HE ARG A 99 0.247 -11.045 5.324 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -2.593 -11.421 3.251 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -2.060 -12.978 2.609 1.00 3.44 H new ATOM 0 HH21 ARG A 99 0.917 -13.044 4.502 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -0.079 -13.894 3.316 1.00 4.24 H new ATOM 1567 N ILE A 100 0.386 -5.354 4.822 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.163 -4.017 4.972 1.00 0.36 C ATOM 1569 C ILE A 100 -0.362 -3.366 3.612 1.00 0.33 C ATOM 1570 O ILE A 100 -1.371 -2.702 3.370 1.00 0.34 O ATOM 1571 CB ILE A 100 0.749 -3.149 5.855 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.827 -3.768 7.248 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.238 -1.716 5.929 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.799 -3.080 8.168 1.00 0.34 C ATOM 0 H ILE A 100 1.322 -5.470 5.211 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.134 -4.101 5.461 1.00 0.36 H new ATOM 0 HB ILE A 100 1.746 -3.116 5.415 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.164 -3.746 7.701 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.111 -4.816 7.154 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.902 -1.125 6.560 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.212 -1.287 4.927 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.766 -1.709 6.353 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.797 -3.578 9.138 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.800 -3.125 7.739 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.505 -2.038 8.295 1.00 0.34 H new ATOM 1586 N VAL A 101 0.594 -3.573 2.719 1.00 0.33 N ATOM 1587 CA VAL A 101 0.469 -3.082 1.359 1.00 0.35 C ATOM 1588 C VAL A 101 -0.705 -3.765 0.653 1.00 0.37 C ATOM 1589 O VAL A 101 -1.425 -3.135 -0.103 1.00 0.45 O ATOM 1590 CB VAL A 101 1.772 -3.253 0.540 1.00 0.46 C ATOM 1591 CG1 VAL A 101 2.820 -3.999 1.335 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.500 -3.939 -0.787 1.00 1.32 C ATOM 0 H VAL A 101 1.460 -4.076 2.912 1.00 0.33 H new ATOM 0 HA VAL A 101 0.277 -2.011 1.422 1.00 0.35 H new ATOM 0 HB VAL A 101 2.162 -2.258 0.325 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.724 -4.105 0.736 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.050 -3.444 2.244 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.442 -4.987 1.599 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.433 -4.045 -1.340 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.071 -4.925 -0.606 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.800 -3.340 -1.369 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.905 -5.051 0.907 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.044 -5.761 0.333 1.00 0.39 C ATOM 1604 C ALA A 102 -3.345 -5.119 0.785 1.00 0.35 C ATOM 1605 O ALA A 102 -4.244 -4.856 -0.018 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.016 -7.221 0.735 1.00 0.44 C ATOM 0 H ALA A 102 -0.302 -5.621 1.500 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.979 -5.698 -0.753 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.872 -7.735 0.298 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.095 -7.680 0.375 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.060 -7.300 1.821 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.413 -4.854 2.080 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.557 -4.202 2.691 1.00 0.34 C ATOM 1614 C PHE A 103 -4.818 -2.835 2.061 1.00 0.31 C ATOM 1615 O PHE A 103 -5.937 -2.537 1.646 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.310 -4.087 4.203 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.226 -3.135 4.926 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.473 -3.544 5.366 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.828 -1.829 5.177 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.306 -2.670 6.040 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.657 -0.951 5.848 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.898 -1.373 6.280 1.00 1.49 C ATOM 0 H PHE A 103 -2.671 -5.087 2.739 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.451 -4.800 2.518 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.413 -5.076 4.649 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.280 -3.770 4.365 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.799 -4.557 5.181 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.857 -1.495 4.843 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.276 -3.002 6.379 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -5.335 0.063 6.034 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.549 -0.690 6.805 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.780 -2.017 1.961 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.942 -0.665 1.449 1.00 0.40 C ATOM 1634 C PHE A 104 -4.092 -0.671 -0.078 1.00 0.39 C ATOM 1635 O PHE A 104 -4.619 0.276 -0.664 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.782 0.231 1.929 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.751 0.592 0.891 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -1.007 -0.380 0.254 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.521 1.915 0.571 1.00 1.79 C ATOM 1640 CE1 PHE A 104 -0.058 -0.044 -0.687 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.571 2.260 -0.369 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.160 1.279 -1.000 1.00 3.29 C ATOM 0 H PHE A 104 -2.826 -2.263 2.225 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.863 -0.241 1.849 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -3.203 1.153 2.329 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.277 -0.273 2.753 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.171 -1.420 0.497 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -2.091 2.690 1.062 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.514 -0.817 -1.178 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.401 3.299 -0.609 1.00 2.90 H new ATOM 0 HZ PHE A 104 0.902 1.546 -1.738 1.00 3.29 H new ATOM 1652 N SER A 105 -3.652 -1.758 -0.709 1.00 0.37 N ATOM 1653 CA SER A 105 -3.761 -1.908 -2.155 1.00 0.44 C ATOM 1654 C SER A 105 -5.194 -2.237 -2.545 1.00 0.40 C ATOM 1655 O SER A 105 -5.813 -1.517 -3.334 1.00 0.45 O ATOM 1656 CB SER A 105 -2.809 -2.998 -2.661 1.00 0.50 C ATOM 1657 OG SER A 105 -2.868 -3.122 -4.071 1.00 1.19 O ATOM 0 H SER A 105 -3.215 -2.550 -0.237 1.00 0.37 H new ATOM 0 HA SER A 105 -3.479 -0.963 -2.620 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.789 -2.762 -2.357 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.067 -3.951 -2.199 1.00 0.50 H new ATOM 0 HG SER A 105 -2.850 -2.231 -4.479 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.735 -3.309 -1.971 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.105 -3.704 -2.261 1.00 0.37 C ATOM 1665 C PHE A 106 -8.062 -2.648 -1.723 1.00 0.31 C ATOM 1666 O PHE A 106 -9.160 -2.476 -2.232 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.427 -5.072 -1.659 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.661 -5.699 -2.249 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.593 -6.389 -3.448 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.886 -5.590 -1.613 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.723 -6.962 -4.000 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.020 -6.160 -2.162 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.938 -6.845 -3.357 1.00 2.89 C ATOM 0 H PHE A 106 -5.248 -3.913 -1.309 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.222 -3.784 -3.342 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.579 -5.739 -1.812 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.559 -4.967 -0.582 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.645 -6.480 -3.958 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.957 -5.054 -0.678 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.655 -7.501 -4.934 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.970 -6.069 -1.656 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.823 -7.289 -3.788 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.625 -1.936 -0.692 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.390 -0.820 -0.176 1.00 0.28 C ATOM 1685 C GLY A 107 -8.495 0.301 -1.185 1.00 0.24 C ATOM 1686 O GLY A 107 -9.539 0.944 -1.309 1.00 0.27 O ATOM 0 H GLY A 107 -6.748 -2.114 -0.202 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.389 -1.159 0.096 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.921 -0.447 0.734 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.410 0.537 -1.909 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.437 1.507 -2.979 1.00 0.22 C ATOM 1692 C GLY A 108 -8.298 1.027 -4.127 1.00 0.22 C ATOM 1693 O GLY A 108 -8.982 1.812 -4.784 1.00 0.23 O ATOM 0 H GLY A 108 -6.512 0.073 -1.773 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.821 2.456 -2.604 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.423 1.691 -3.333 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.262 -0.279 -4.357 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.094 -0.912 -5.367 1.00 0.26 C ATOM 1699 C ALA A 109 -10.565 -0.851 -4.967 1.00 0.27 C ATOM 1700 O ALA A 109 -11.442 -0.694 -5.815 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.657 -2.354 -5.571 1.00 0.29 C ATOM 0 H ALA A 109 -7.657 -0.925 -3.850 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.975 -0.372 -6.306 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.286 -2.821 -6.329 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.617 -2.376 -5.897 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.754 -2.900 -4.633 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.805 -0.924 -3.658 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.155 -0.906 -3.091 1.00 0.28 C ATOM 1709 C LEU A 110 -12.823 0.404 -3.466 1.00 0.24 C ATOM 1710 O LEU A 110 -14.022 0.473 -3.754 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.064 -1.035 -1.564 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.131 -1.902 -0.875 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.514 -1.287 -0.970 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.134 -3.312 -1.449 1.00 1.12 C ATOM 0 H LEU A 110 -10.067 -0.998 -2.958 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.742 -1.737 -3.482 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.084 -1.442 -1.316 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.111 -0.034 -1.135 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.869 -1.953 0.182 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.235 -1.934 -0.470 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.511 -0.308 -0.490 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.792 -1.176 -2.018 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.896 -3.908 -0.947 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.351 -3.270 -2.516 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.157 -3.769 -1.295 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.007 1.447 -3.459 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.417 2.762 -3.898 1.00 0.19 C ATOM 1728 C CYS A 111 -12.892 2.708 -5.348 1.00 0.20 C ATOM 1729 O CYS A 111 -14.014 3.108 -5.653 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.243 3.725 -3.747 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.528 5.370 -4.412 1.00 0.22 S ATOM 0 H CYS A 111 -11.037 1.399 -3.146 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.247 3.113 -3.286 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.998 3.814 -2.689 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.372 3.294 -4.241 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.469 6.102 -4.228 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.049 2.173 -6.234 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.398 2.069 -7.648 1.00 0.22 C ATOM 1739 C VAL A 112 -13.643 1.221 -7.838 1.00 0.22 C ATOM 1740 O VAL A 112 -14.496 1.556 -8.652 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.257 1.477 -8.505 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.708 1.263 -9.941 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.061 2.396 -8.490 1.00 0.27 C ATOM 0 H VAL A 112 -11.126 1.808 -5.997 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.583 3.089 -7.986 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.983 0.514 -8.075 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.886 0.846 -10.522 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.552 0.573 -9.958 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.010 2.217 -10.373 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.265 1.967 -9.098 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.343 3.367 -8.896 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.709 2.519 -7.466 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.741 0.132 -7.087 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.917 -0.726 -7.132 1.00 0.28 C ATOM 1755 C GLU A 113 -16.183 0.084 -6.871 1.00 0.23 C ATOM 1756 O GLU A 113 -17.217 -0.131 -7.507 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.792 -1.854 -6.106 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.745 -2.898 -6.462 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.462 -3.874 -5.341 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.197 -4.878 -5.235 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.501 -3.646 -4.582 1.00 2.51 O ATOM 0 H GLU A 113 -13.018 -0.178 -6.438 1.00 0.23 H new ATOM 0 HA GLU A 113 -14.985 -1.163 -8.128 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.546 -1.423 -5.135 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.759 -2.345 -6.001 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.079 -3.452 -7.340 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.819 -2.393 -6.737 1.00 0.53 H new ATOM 1768 N SER A 114 -16.083 1.038 -5.959 1.00 0.18 N ATOM 1769 CA SER A 114 -17.208 1.885 -5.613 1.00 0.19 C ATOM 1770 C SER A 114 -17.448 2.891 -6.726 1.00 0.22 C ATOM 1771 O SER A 114 -18.578 3.159 -7.113 1.00 0.28 O ATOM 1772 CB SER A 114 -16.923 2.602 -4.293 1.00 0.18 C ATOM 1773 OG SER A 114 -16.673 1.668 -3.257 1.00 0.20 O ATOM 0 H SER A 114 -15.227 1.244 -5.443 1.00 0.18 H new ATOM 0 HA SER A 114 -18.104 1.276 -5.493 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.063 3.261 -4.410 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.772 3.231 -4.025 1.00 0.18 H new ATOM 0 HG SER A 114 -15.797 1.252 -3.396 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.358 3.384 -7.279 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.397 4.392 -8.323 1.00 0.27 C ATOM 1781 C VAL A 115 -16.949 3.789 -9.597 1.00 0.28 C ATOM 1782 O VAL A 115 -17.592 4.454 -10.410 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.978 4.925 -8.584 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.963 5.924 -9.715 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.417 5.536 -7.323 1.00 1.10 C ATOM 0 H VAL A 115 -15.415 3.096 -7.017 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.040 5.212 -8.002 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.348 4.087 -8.882 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.945 6.280 -9.872 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.326 5.448 -10.626 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.608 6.767 -9.465 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.412 5.911 -7.516 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.056 6.359 -7.002 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.378 4.780 -6.539 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.686 2.511 -9.731 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.095 1.724 -10.871 1.00 0.34 C ATOM 1797 C ASP A 116 -18.600 1.787 -11.065 1.00 0.35 C ATOM 1798 O ASP A 116 -19.089 2.062 -12.159 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.661 0.291 -10.620 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.860 -0.609 -11.822 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.009 -0.578 -12.735 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.849 -1.368 -11.850 1.00 0.60 O ATOM 0 H ASP A 116 -16.169 1.976 -9.033 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.633 2.116 -11.777 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.609 0.281 -10.336 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.223 -0.110 -9.776 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.323 1.544 -9.984 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.777 1.569 -10.007 1.00 0.35 C ATOM 1809 C LYS A 117 -21.286 2.986 -9.753 1.00 0.34 C ATOM 1810 O LYS A 117 -22.476 3.191 -9.501 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.342 0.627 -8.938 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.411 -0.515 -8.541 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.056 -1.407 -9.712 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.304 -2.643 -9.254 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.913 -3.509 -10.397 1.00 1.62 N ATOM 0 H LYS A 117 -18.923 1.325 -9.072 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.110 1.238 -10.991 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.580 1.210 -8.048 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.278 0.205 -9.303 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.498 -0.103 -8.112 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.886 -1.113 -7.763 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.965 -1.704 -10.234 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.447 -0.851 -10.424 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.412 -2.342 -8.704 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.927 -3.212 -8.564 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.137 -4.138 -10.107 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -19.729 -4.081 -10.694 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.599 -2.915 -11.191 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.368 3.951 -9.809 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.677 5.356 -9.553 1.00 0.33 C ATOM 1831 C GLU A 118 -21.195 5.539 -8.135 1.00 0.31 C ATOM 1832 O GLU A 118 -22.243 6.137 -7.895 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.662 5.895 -10.585 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.064 5.965 -11.977 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.053 6.435 -13.016 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.230 7.661 -13.163 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -22.649 5.579 -13.700 1.00 1.88 O ATOM 0 H GLU A 118 -19.388 3.779 -10.034 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.758 5.934 -9.649 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.547 5.259 -10.605 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.991 6.890 -10.284 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.208 6.639 -11.966 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -20.691 4.980 -12.257 1.00 0.49 H new ATOM 1844 N MET A 119 -20.433 4.997 -7.206 1.00 0.26 N ATOM 1845 CA MET A 119 -20.701 5.114 -5.784 1.00 0.26 C ATOM 1846 C MET A 119 -19.454 5.671 -5.128 1.00 0.25 C ATOM 1847 O MET A 119 -18.983 5.175 -4.110 1.00 0.23 O ATOM 1848 CB MET A 119 -21.030 3.745 -5.190 1.00 0.25 C ATOM 1849 CG MET A 119 -22.183 3.035 -5.873 1.00 0.28 C ATOM 1850 SD MET A 119 -22.341 1.330 -5.327 1.00 0.31 S ATOM 1851 CE MET A 119 -20.640 0.788 -5.492 1.00 0.29 C ATOM 0 H MET A 119 -19.597 4.454 -7.420 1.00 0.26 H new ATOM 0 HA MET A 119 -21.555 5.770 -5.614 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.143 3.113 -5.247 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.267 3.867 -4.133 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.111 3.569 -5.667 1.00 0.28 H new ATOM 0 HG3 MET A 119 -22.035 3.058 -6.953 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.618 -0.278 -5.720 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.158 1.341 -6.298 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.108 0.970 -4.558 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.921 6.713 -5.735 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.640 7.272 -5.337 1.00 0.31 C ATOM 1863 C GLN A 120 -17.730 7.932 -3.961 1.00 0.32 C ATOM 1864 O GLN A 120 -16.737 8.396 -3.419 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.157 8.255 -6.389 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.430 7.766 -7.791 1.00 0.36 C ATOM 1867 CD GLN A 120 -17.163 8.797 -8.860 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -16.268 9.630 -8.740 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -17.964 8.746 -9.907 1.00 0.55 N ATOM 0 H GLN A 120 -19.362 7.197 -6.517 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.914 6.462 -5.259 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.648 9.216 -6.239 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.087 8.421 -6.265 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.815 6.887 -7.985 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -18.470 7.448 -7.858 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.692 8.034 -9.958 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -17.855 9.419 -10.666 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.933 8.005 -3.410 1.00 0.32 N ATOM 1879 CA VAL A 121 -19.107 8.462 -2.035 1.00 0.35 C ATOM 1880 C VAL A 121 -18.311 7.584 -1.062 1.00 0.31 C ATOM 1881 O VAL A 121 -17.932 8.029 0.019 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.592 8.469 -1.611 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.373 9.506 -2.402 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.203 7.087 -1.785 1.00 0.38 C ATOM 0 H VAL A 121 -19.799 7.756 -3.888 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.732 9.485 -1.997 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.646 8.737 -0.556 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.416 9.494 -2.087 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.951 10.495 -2.222 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.312 9.274 -3.465 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.250 7.111 -1.481 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -21.135 6.788 -2.831 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.662 6.370 -1.167 1.00 0.38 H new ATOM 1894 N LEU A 122 -18.042 6.341 -1.466 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.264 5.415 -0.648 1.00 0.21 C ATOM 1896 C LEU A 122 -15.795 5.765 -0.709 1.00 0.19 C ATOM 1897 O LEU A 122 -15.055 5.483 0.221 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.448 3.962 -1.098 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.779 3.303 -0.737 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.123 3.566 0.716 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.890 3.776 -1.657 1.00 0.22 C ATOM 0 H LEU A 122 -18.353 5.954 -2.357 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.629 5.509 0.375 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.329 3.922 -2.181 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.644 3.366 -0.667 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.676 2.227 -0.873 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.074 3.090 0.957 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.340 3.157 1.355 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.203 4.640 0.882 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.825 3.291 -1.377 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -20.001 4.857 -1.568 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.643 3.520 -2.687 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.394 6.385 -1.807 1.00 0.19 N ATOM 1914 CA VAL A 123 -14.007 6.782 -2.028 1.00 0.20 C ATOM 1915 C VAL A 123 -13.408 7.452 -0.794 1.00 0.22 C ATOM 1916 O VAL A 123 -12.407 6.991 -0.241 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.932 7.744 -3.228 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.549 8.340 -3.401 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.367 7.021 -4.490 1.00 0.23 C ATOM 0 H VAL A 123 -16.021 6.629 -2.574 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.428 5.882 -2.233 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.610 8.575 -3.033 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.547 9.011 -4.260 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.278 8.897 -2.504 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.826 7.541 -3.564 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.313 7.704 -5.338 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.709 6.170 -4.667 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.392 6.669 -4.373 1.00 0.23 H new ATOM 1929 N SER A 124 -14.043 8.522 -0.357 1.00 0.24 N ATOM 1930 CA SER A 124 -13.560 9.303 0.758 1.00 0.28 C ATOM 1931 C SER A 124 -13.825 8.605 2.092 1.00 0.27 C ATOM 1932 O SER A 124 -13.181 8.901 3.101 1.00 0.33 O ATOM 1933 CB SER A 124 -14.255 10.649 0.704 1.00 0.36 C ATOM 1934 OG SER A 124 -15.274 10.648 -0.291 1.00 1.35 O ATOM 0 H SER A 124 -14.909 8.872 -0.767 1.00 0.24 H new ATOM 0 HA SER A 124 -12.479 9.425 0.685 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.689 10.879 1.677 1.00 0.36 H new ATOM 0 HB3 SER A 124 -13.528 11.431 0.487 1.00 0.36 H new ATOM 0 HG SER A 124 -15.183 11.446 -0.853 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.786 7.695 2.088 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.086 6.884 3.263 1.00 0.23 C ATOM 1942 C ARG A 125 -13.998 5.859 3.487 1.00 0.21 C ATOM 1943 O ARG A 125 -13.380 5.822 4.542 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.407 6.136 3.103 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.625 7.009 2.920 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.881 6.178 3.021 1.00 0.55 C ATOM 1947 NE ARG A 125 -20.098 6.963 2.867 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.293 6.542 3.269 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.401 5.398 3.936 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.372 7.276 3.034 1.00 2.67 N ATOM 0 H ARG A 125 -15.376 7.497 1.280 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.153 7.565 4.111 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.326 5.469 2.245 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.559 5.508 3.981 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.637 7.793 3.677 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.584 7.504 1.950 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.858 5.401 2.257 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.900 5.675 3.988 1.00 0.55 H new ATOM 0 HE ARG A 125 -20.030 7.882 2.429 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.568 4.845 4.138 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.317 5.073 4.246 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -22.286 8.166 2.544 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.288 6.950 3.344 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.785 5.026 2.479 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.830 3.931 2.555 1.00 0.19 C ATOM 1966 C ILE A 126 -11.486 4.396 3.102 1.00 0.20 C ATOM 1967 O ILE A 126 -10.965 3.804 4.043 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.646 3.271 1.173 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -13.994 2.728 0.684 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.611 2.159 1.247 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -13.988 2.227 -0.738 1.00 0.18 C ATOM 0 H ILE A 126 -14.270 5.091 1.584 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.235 3.192 3.246 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.286 4.016 0.464 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.304 1.915 1.341 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.743 3.515 0.775 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.494 1.705 0.263 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.656 2.572 1.572 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.940 1.402 1.959 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -14.981 1.862 -0.999 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.712 3.040 -1.409 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.266 1.416 -0.835 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.955 5.479 2.548 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.650 5.985 2.962 1.00 0.24 C ATOM 1985 C ALA A 127 -9.619 6.348 4.444 1.00 0.24 C ATOM 1986 O ALA A 127 -8.561 6.315 5.076 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.279 7.194 2.139 1.00 0.27 C ATOM 0 H ALA A 127 -11.406 6.023 1.813 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.926 5.187 2.798 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.304 7.564 2.455 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.238 6.918 1.085 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.027 7.974 2.281 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.779 6.682 4.991 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.889 7.079 6.382 1.00 0.22 C ATOM 1995 C ALA A 128 -10.537 5.918 7.281 1.00 0.23 C ATOM 1996 O ALA A 128 -9.528 5.933 7.985 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.304 7.551 6.682 1.00 0.23 C ATOM 0 H ALA A 128 -11.664 6.685 4.484 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.194 7.898 6.568 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.375 7.846 7.729 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.545 8.404 6.047 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -13.007 6.742 6.485 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.361 4.893 7.216 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.203 3.746 8.082 1.00 0.35 C ATOM 2005 C TRP A 129 -10.040 2.860 7.641 1.00 0.25 C ATOM 2006 O TRP A 129 -9.558 2.040 8.419 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.513 2.971 8.191 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.209 2.737 6.892 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.114 3.568 6.312 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -13.089 1.602 6.029 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -14.551 3.040 5.130 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -13.942 1.826 4.933 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -12.341 0.424 6.072 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -14.067 0.912 3.888 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -12.467 -0.480 5.037 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -13.324 -0.233 3.957 1.00 3.91 C ATOM 0 H TRP A 129 -12.148 4.832 6.570 1.00 0.25 H new ATOM 0 HA TRP A 129 -10.951 4.106 9.079 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.311 2.007 8.658 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -13.186 3.513 8.856 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.441 4.510 6.726 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -15.221 3.477 4.497 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -11.676 0.224 6.899 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -14.727 1.102 3.054 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -11.894 -1.395 5.060 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -13.399 -0.962 3.163 1.00 3.91 H new ATOM 2027 N MET A 130 -9.594 3.021 6.395 1.00 0.24 N ATOM 2028 CA MET A 130 -8.363 2.378 5.943 1.00 0.26 C ATOM 2029 C MET A 130 -7.179 2.884 6.749 1.00 0.25 C ATOM 2030 O MET A 130 -6.474 2.107 7.397 1.00 0.29 O ATOM 2031 CB MET A 130 -8.128 2.651 4.462 1.00 0.31 C ATOM 2032 CG MET A 130 -8.913 1.736 3.553 1.00 0.29 C ATOM 2033 SD MET A 130 -7.950 0.324 3.003 1.00 1.08 S ATOM 2034 CE MET A 130 -6.763 1.161 1.963 1.00 0.31 C ATOM 0 H MET A 130 -10.063 3.586 5.687 1.00 0.24 H new ATOM 0 HA MET A 130 -8.465 1.303 6.092 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.395 3.685 4.244 1.00 0.31 H new ATOM 0 HB3 MET A 130 -7.065 2.544 4.244 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.802 1.384 4.076 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.256 2.298 2.685 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.504 0.522 1.119 1.00 0.31 H new ATOM 0 HE2 MET A 130 -7.195 2.091 1.594 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.865 1.382 2.540 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.977 4.196 6.721 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.892 4.810 7.466 1.00 0.24 C ATOM 2046 C ALA A 131 -6.093 4.615 8.957 1.00 0.24 C ATOM 2047 O ALA A 131 -5.138 4.386 9.691 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.770 6.288 7.137 1.00 0.25 C ATOM 0 H ALA A 131 -7.551 4.852 6.191 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.964 4.320 7.172 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.950 6.722 7.709 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.573 6.409 6.072 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.700 6.796 7.394 1.00 0.25 H new ATOM 2054 N THR A 132 -7.341 4.704 9.401 1.00 0.26 N ATOM 2055 CA THR A 132 -7.663 4.471 10.800 1.00 0.29 C ATOM 2056 C THR A 132 -7.288 3.052 11.234 1.00 0.30 C ATOM 2057 O THR A 132 -6.736 2.855 12.316 1.00 0.32 O ATOM 2058 CB THR A 132 -9.152 4.709 11.086 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.491 6.076 10.818 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.470 4.373 12.534 1.00 0.40 C ATOM 0 H THR A 132 -8.142 4.935 8.814 1.00 0.26 H new ATOM 0 HA THR A 132 -7.074 5.186 11.375 1.00 0.29 H new ATOM 0 HB THR A 132 -9.740 4.061 10.436 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.548 6.215 9.850 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.529 4.546 12.724 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.234 3.326 12.725 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.875 5.005 13.193 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.595 2.063 10.400 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.244 0.686 10.717 1.00 0.32 C ATOM 2070 C TYR A 133 -5.733 0.557 10.849 1.00 0.32 C ATOM 2071 O TYR A 133 -5.236 -0.138 11.735 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.765 -0.289 9.659 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.644 -1.738 10.081 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.634 -2.338 10.849 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.537 -2.500 9.728 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.527 -3.655 11.249 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.421 -3.817 10.127 1.00 2.40 C ATOM 2078 CZ TYR A 133 -7.419 -4.390 10.888 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.306 -5.702 11.291 1.00 3.13 O ATOM 0 H TYR A 133 -8.080 2.188 9.511 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.717 0.428 11.664 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.810 -0.064 9.448 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.213 -0.139 8.731 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.502 -1.764 11.138 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.754 -2.055 9.132 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -9.308 -4.107 11.842 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.554 -4.395 9.845 1.00 2.40 H new ATOM 0 HH TYR A 133 -6.467 -6.077 10.952 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.005 1.238 9.973 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.559 1.294 10.090 1.00 0.30 C ATOM 2091 C LEU A 134 -3.203 1.971 11.412 1.00 0.32 C ATOM 2092 O LEU A 134 -2.441 1.432 12.201 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.938 2.044 8.892 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.429 1.823 8.663 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.995 2.397 7.319 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.605 2.445 9.779 1.00 0.88 C ATOM 0 H LEU A 134 -5.390 1.754 9.182 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.150 0.284 10.080 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.470 1.747 7.988 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.112 3.111 9.028 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.253 0.747 8.662 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.073 2.229 7.180 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.547 1.905 6.518 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.200 3.467 7.297 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.454 2.272 9.589 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.796 3.517 9.818 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.881 1.992 10.731 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.797 3.133 11.648 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.577 3.906 12.872 1.00 0.35 C ATOM 2110 C ASN A 135 -3.708 3.053 14.130 1.00 0.38 C ATOM 2111 O ASN A 135 -2.781 2.980 14.936 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.577 5.064 12.950 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.042 6.360 12.381 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.499 7.189 13.105 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.187 6.544 11.081 1.00 0.34 N ATOM 0 H ASN A 135 -4.448 3.571 10.996 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.556 4.286 12.827 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.484 4.787 12.413 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.858 5.222 13.991 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.842 7.399 10.645 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.644 5.831 10.513 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.856 2.409 14.295 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.135 1.662 15.515 1.00 0.42 C ATOM 2124 C ASP A 136 -4.428 0.314 15.529 1.00 0.40 C ATOM 2125 O ASP A 136 -3.756 -0.040 16.497 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.642 1.447 15.671 1.00 0.45 C ATOM 2127 CG ASP A 136 -6.981 0.522 16.825 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.073 1.005 17.971 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.167 -0.693 16.588 1.00 0.58 O ATOM 0 H ASP A 136 -5.606 2.388 13.604 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.757 2.252 16.350 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.129 2.410 15.826 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.044 1.032 14.747 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.577 -0.428 14.448 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.159 -1.817 14.417 1.00 0.38 C ATOM 2136 C HIS A 137 -2.729 -1.991 13.930 1.00 0.35 C ATOM 2137 O HIS A 137 -1.918 -2.646 14.585 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.109 -2.608 13.524 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.061 -3.473 14.289 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -6.967 -2.974 15.199 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.244 -4.814 14.278 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.666 -3.969 15.709 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.248 -5.096 15.168 1.00 1.34 N ATOM 0 H HIS A 137 -4.986 -0.091 13.577 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.193 -2.192 15.440 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.677 -1.913 12.905 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.525 -3.233 12.848 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -7.079 -1.989 15.440 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -5.700 -5.529 13.679 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -8.450 -3.876 16.446 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.413 -1.393 12.799 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.181 -1.722 12.109 1.00 0.29 C ATOM 2154 C LEU A 138 0.002 -0.918 12.608 1.00 0.27 C ATOM 2155 O LEU A 138 1.105 -1.436 12.651 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.368 -1.515 10.618 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.588 -2.224 10.049 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.713 -1.951 8.571 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.508 -3.715 10.324 1.00 1.20 C ATOM 0 H LEU A 138 -2.985 -0.684 12.341 1.00 0.32 H new ATOM 0 HA LEU A 138 -0.956 -2.768 12.317 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -1.453 -0.447 10.417 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.478 -1.868 10.097 1.00 0.30 H new ATOM 0 HG LEU A 138 -3.480 -1.837 10.540 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.591 -2.465 8.179 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.817 -0.879 8.407 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -1.822 -2.312 8.058 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.388 -4.209 9.911 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -1.611 -4.123 9.859 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.468 -3.885 11.400 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.228 0.331 12.985 1.00 0.30 N ATOM 2172 CA GLU A 139 0.855 1.232 13.377 1.00 0.31 C ATOM 2173 C GLU A 139 1.791 0.581 14.411 1.00 0.30 C ATOM 2174 O GLU A 139 3.004 0.558 14.201 1.00 0.30 O ATOM 2175 CB GLU A 139 0.302 2.560 13.909 1.00 0.38 C ATOM 2176 CG GLU A 139 1.325 3.684 13.899 1.00 0.40 C ATOM 2177 CD GLU A 139 0.838 4.931 14.610 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.059 5.702 14.020 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.244 5.151 15.770 1.00 0.61 O ATOM 0 H GLU A 139 -1.158 0.748 13.029 1.00 0.30 H new ATOM 0 HA GLU A 139 1.443 1.438 12.482 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.558 2.855 13.307 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.057 2.414 14.928 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.243 3.337 14.373 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.573 3.934 12.867 1.00 0.40 H new ATOM 2186 N PRO A 140 1.260 0.018 15.528 1.00 0.32 N ATOM 2187 CA PRO A 140 2.093 -0.678 16.519 1.00 0.34 C ATOM 2188 C PRO A 140 2.769 -1.916 15.929 1.00 0.32 C ATOM 2189 O PRO A 140 3.952 -2.163 16.161 1.00 0.34 O ATOM 2190 CB PRO A 140 1.104 -1.096 17.613 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.107 -0.258 17.395 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.162 0.014 15.923 1.00 0.36 C ATOM 0 HA PRO A 140 2.899 -0.040 16.882 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.865 -2.157 17.542 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.523 -0.930 18.605 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.006 -0.776 17.730 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.045 0.671 17.961 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.725 -0.754 15.392 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.643 0.968 15.707 1.00 0.36 H new ATOM 2200 N TRP A 141 1.997 -2.675 15.160 1.00 0.31 N ATOM 2201 CA TRP A 141 2.474 -3.890 14.504 1.00 0.32 C ATOM 2202 C TRP A 141 3.637 -3.564 13.571 1.00 0.31 C ATOM 2203 O TRP A 141 4.670 -4.222 13.593 1.00 0.36 O ATOM 2204 CB TRP A 141 1.313 -4.497 13.726 1.00 0.35 C ATOM 2205 CG TRP A 141 1.364 -5.982 13.624 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.006 -6.708 12.677 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.741 -6.924 14.505 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.797 -8.043 12.886 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.034 -8.206 14.012 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.039 -6.807 15.659 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.576 -9.365 14.628 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.493 -7.960 16.273 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.184 -9.224 15.757 1.00 1.20 C ATOM 0 H TRP A 141 1.017 -2.465 14.972 1.00 0.31 H new ATOM 0 HA TRP A 141 2.834 -4.603 15.246 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.377 -4.208 14.205 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.301 -4.074 12.721 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.597 -6.293 11.874 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.152 -8.797 12.298 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.282 -5.835 16.063 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.811 -10.341 14.230 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.096 -7.884 17.166 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -0.553 -10.106 16.260 1.00 1.20 H new ATOM 2224 N ILE A 142 3.453 -2.529 12.769 1.00 0.26 N ATOM 2225 CA ILE A 142 4.493 -1.996 11.897 1.00 0.26 C ATOM 2226 C ILE A 142 5.796 -1.797 12.657 1.00 0.29 C ATOM 2227 O ILE A 142 6.852 -2.266 12.232 1.00 0.32 O ATOM 2228 CB ILE A 142 4.018 -0.651 11.313 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.930 -0.907 10.281 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.170 0.134 10.712 1.00 0.28 C ATOM 2231 CD1 ILE A 142 2.016 0.268 10.055 1.00 0.26 C ATOM 0 H ILE A 142 2.567 -2.027 12.702 1.00 0.26 H new ATOM 0 HA ILE A 142 4.678 -2.709 11.094 1.00 0.26 H new ATOM 0 HB ILE A 142 3.610 -0.043 12.120 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.397 -1.179 9.334 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.334 -1.762 10.600 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.798 1.076 10.310 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.913 0.337 11.483 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.627 -0.447 9.911 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.268 0.008 9.306 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.519 0.528 10.990 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.599 1.120 9.705 1.00 0.26 H new ATOM 2243 N GLN A 143 5.705 -1.105 13.782 1.00 0.30 N ATOM 2244 CA GLN A 143 6.864 -0.828 14.621 1.00 0.35 C ATOM 2245 C GLN A 143 7.561 -2.123 15.053 1.00 0.39 C ATOM 2246 O GLN A 143 8.786 -2.169 15.153 1.00 0.43 O ATOM 2247 CB GLN A 143 6.429 -0.039 15.850 1.00 0.41 C ATOM 2248 CG GLN A 143 5.607 1.196 15.520 1.00 0.43 C ATOM 2249 CD GLN A 143 6.412 2.282 14.838 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.617 2.413 15.054 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.746 3.077 14.018 1.00 0.52 N ATOM 0 H GLN A 143 4.830 -0.720 14.139 1.00 0.30 H new ATOM 0 HA GLN A 143 7.575 -0.241 14.039 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.846 -0.690 16.502 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.314 0.263 16.410 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.776 0.910 14.876 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.176 1.594 16.439 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.747 2.933 13.867 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.231 3.834 13.536 1.00 0.52 H new ATOM 2260 N GLU A 144 6.775 -3.176 15.287 1.00 0.40 N ATOM 2261 CA GLU A 144 7.306 -4.481 15.680 1.00 0.47 C ATOM 2262 C GLU A 144 8.152 -5.090 14.572 1.00 0.48 C ATOM 2263 O GLU A 144 8.987 -5.964 14.808 1.00 0.55 O ATOM 2264 CB GLU A 144 6.148 -5.418 15.987 1.00 0.51 C ATOM 2265 CG GLU A 144 5.219 -4.888 17.049 1.00 0.52 C ATOM 2266 CD GLU A 144 5.801 -5.014 18.439 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.624 -6.076 19.068 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.450 -4.054 18.906 1.00 0.67 O ATOM 0 H GLU A 144 5.758 -3.148 15.210 1.00 0.40 H new ATOM 0 HA GLU A 144 7.935 -4.344 16.560 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.581 -5.595 15.073 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.544 -6.381 16.308 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.998 -3.841 16.844 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.274 -5.428 17.004 1.00 0.52 H new ATOM 2275 N ASN A 145 7.918 -4.622 13.366 1.00 0.44 N ATOM 2276 CA ASN A 145 8.547 -5.173 12.182 1.00 0.48 C ATOM 2277 C ASN A 145 9.539 -4.179 11.608 1.00 0.47 C ATOM 2278 O ASN A 145 10.071 -4.359 10.509 1.00 0.57 O ATOM 2279 CB ASN A 145 7.465 -5.535 11.170 1.00 0.49 C ATOM 2280 CG ASN A 145 6.619 -6.690 11.665 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.827 -7.842 11.282 1.00 0.93 O ATOM 2282 ND2 ASN A 145 5.684 -6.390 12.557 1.00 0.54 N ATOM 0 H ASN A 145 7.284 -3.846 13.176 1.00 0.44 H new ATOM 0 HA ASN A 145 9.101 -6.076 12.437 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.830 -4.668 10.986 1.00 0.49 H new ATOM 0 HB3 ASN A 145 7.927 -5.800 10.219 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.103 -7.128 12.954 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.546 -5.421 12.845 1.00 0.54 H new ATOM 2289 N GLY A 146 9.776 -3.129 12.373 1.00 0.42 N ATOM 2290 CA GLY A 146 10.783 -2.158 12.029 1.00 0.45 C ATOM 2291 C GLY A 146 10.204 -0.784 11.765 1.00 0.44 C ATOM 2292 O GLY A 146 10.701 0.217 12.280 1.00 0.56 O ATOM 0 H GLY A 146 9.278 -2.932 13.241 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.510 -2.092 12.839 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.321 -2.497 11.144 1.00 0.45 H new ATOM 2296 N GLY A 147 9.152 -0.734 10.967 1.00 0.36 N ATOM 2297 CA GLY A 147 8.551 0.533 10.614 1.00 0.36 C ATOM 2298 C GLY A 147 8.309 0.649 9.126 1.00 0.38 C ATOM 2299 O GLY A 147 8.575 -0.293 8.375 1.00 0.49 O ATOM 0 H GLY A 147 8.701 -1.551 10.555 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.606 0.647 11.145 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.200 1.346 10.940 1.00 0.36 H new ATOM 2303 N TRP A 148 7.812 1.800 8.698 1.00 0.35 N ATOM 2304 CA TRP A 148 7.524 2.036 7.297 1.00 0.37 C ATOM 2305 C TRP A 148 8.820 2.168 6.507 1.00 0.38 C ATOM 2306 O TRP A 148 8.931 1.677 5.384 1.00 0.40 O ATOM 2307 CB TRP A 148 6.674 3.295 7.144 1.00 0.39 C ATOM 2308 CG TRP A 148 5.350 3.216 7.838 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.244 2.543 7.412 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.988 3.842 9.074 1.00 1.45 C ATOM 2311 NE1 TRP A 148 3.215 2.713 8.306 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.648 3.504 9.337 1.00 1.25 C ATOM 2313 CE3 TRP A 148 5.668 4.653 9.985 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.977 3.950 10.471 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 5.001 5.095 11.111 1.00 3.57 C ATOM 2316 CH2 TRP A 148 3.667 4.742 11.345 1.00 3.32 C ATOM 0 H TRP A 148 7.600 2.589 9.309 1.00 0.35 H new ATOM 0 HA TRP A 148 6.965 1.187 6.903 1.00 0.37 H new ATOM 0 HB2 TRP A 148 7.229 4.147 7.536 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.508 3.483 6.083 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.185 1.961 6.504 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.280 2.315 8.217 1.00 0.52 H new ATOM 0 HE3 TRP A 148 6.698 4.930 9.812 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.947 3.680 10.654 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 5.517 5.723 11.822 1.00 3.57 H new ATOM 0 HH2 TRP A 148 3.173 5.103 12.235 1.00 3.32 H new ATOM 2327 N ASP A 149 9.807 2.811 7.124 1.00 0.42 N ATOM 2328 CA ASP A 149 11.123 2.982 6.511 1.00 0.47 C ATOM 2329 C ASP A 149 11.792 1.633 6.312 1.00 0.47 C ATOM 2330 O ASP A 149 12.558 1.443 5.370 1.00 0.52 O ATOM 2331 CB ASP A 149 12.022 3.863 7.385 1.00 0.56 C ATOM 2332 CG ASP A 149 11.541 5.294 7.486 1.00 1.23 C ATOM 2333 OD1 ASP A 149 10.671 5.577 8.337 1.00 1.96 O ATOM 2334 OD2 ASP A 149 12.041 6.147 6.726 1.00 1.72 O ATOM 0 H ASP A 149 9.721 3.224 8.052 1.00 0.42 H new ATOM 0 HA ASP A 149 10.980 3.466 5.545 1.00 0.47 H new ATOM 0 HB2 ASP A 149 12.077 3.434 8.386 1.00 0.56 H new ATOM 0 HB3 ASP A 149 13.033 3.855 6.978 1.00 0.56 H new ATOM 2339 N THR A 150 11.497 0.700 7.204 1.00 0.47 N ATOM 2340 CA THR A 150 12.058 -0.634 7.119 1.00 0.51 C ATOM 2341 C THR A 150 11.531 -1.386 5.900 1.00 0.50 C ATOM 2342 O THR A 150 12.287 -2.072 5.222 1.00 0.56 O ATOM 2343 CB THR A 150 11.761 -1.448 8.387 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.290 -0.772 9.531 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.363 -2.840 8.282 1.00 0.67 C ATOM 0 H THR A 150 10.871 0.845 7.996 1.00 0.47 H new ATOM 0 HA THR A 150 13.137 -0.514 7.019 1.00 0.51 H new ATOM 0 HB THR A 150 10.681 -1.546 8.494 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.946 -1.348 9.977 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.142 -3.401 9.190 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.936 -3.357 7.423 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.443 -2.761 8.158 1.00 0.67 H new ATOM 2353 N PHE A 151 10.244 -1.237 5.600 1.00 0.45 N ATOM 2354 CA PHE A 151 9.658 -1.941 4.464 1.00 0.47 C ATOM 2355 C PHE A 151 10.299 -1.435 3.180 1.00 0.48 C ATOM 2356 O PHE A 151 10.448 -2.163 2.199 1.00 0.55 O ATOM 2357 CB PHE A 151 8.142 -1.752 4.411 1.00 0.47 C ATOM 2358 CG PHE A 151 7.506 -2.494 3.273 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.374 -3.871 3.323 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.061 -1.822 2.147 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.806 -4.564 2.276 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.494 -2.511 1.095 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.366 -3.885 1.160 1.00 3.00 C ATOM 0 H PHE A 151 9.595 -0.645 6.119 1.00 0.45 H new ATOM 0 HA PHE A 151 9.850 -3.008 4.578 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.705 -2.091 5.350 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.915 -0.690 4.319 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.720 -4.409 4.193 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.159 -0.748 2.092 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.706 -5.638 2.330 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.151 -1.977 0.221 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.922 -4.426 0.338 1.00 3.00 H new ATOM 2373 N VAL A 152 10.679 -0.174 3.221 1.00 0.45 N ATOM 2374 CA VAL A 152 11.453 0.450 2.172 1.00 0.49 C ATOM 2375 C VAL A 152 12.780 -0.274 1.991 1.00 0.57 C ATOM 2376 O VAL A 152 13.176 -0.635 0.883 1.00 0.64 O ATOM 2377 CB VAL A 152 11.720 1.908 2.551 1.00 0.60 C ATOM 2378 CG1 VAL A 152 12.571 2.589 1.516 1.00 1.15 C ATOM 2379 CG2 VAL A 152 10.418 2.637 2.763 1.00 0.91 C ATOM 0 H VAL A 152 10.455 0.452 3.994 1.00 0.45 H new ATOM 0 HA VAL A 152 10.895 0.400 1.237 1.00 0.49 H new ATOM 0 HB VAL A 152 12.276 1.927 3.488 1.00 0.60 H new ATOM 0 HG11 VAL A 152 12.745 3.624 1.811 1.00 1.15 H new ATOM 0 HG12 VAL A 152 13.526 2.070 1.432 1.00 1.15 H new ATOM 0 HG13 VAL A 152 12.060 2.567 0.553 1.00 1.15 H new ATOM 0 HG21 VAL A 152 10.621 3.674 3.032 1.00 0.91 H new ATOM 0 HG22 VAL A 152 9.832 2.609 1.845 1.00 0.91 H new ATOM 0 HG23 VAL A 152 9.859 2.157 3.566 1.00 0.91 H new ATOM 2389 N GLU A 153 13.460 -0.466 3.100 1.00 0.59 N ATOM 2390 CA GLU A 153 14.712 -1.197 3.140 1.00 0.69 C ATOM 2391 C GLU A 153 14.549 -2.619 2.600 1.00 0.70 C ATOM 2392 O GLU A 153 15.493 -3.200 2.066 1.00 0.80 O ATOM 2393 CB GLU A 153 15.220 -1.229 4.578 1.00 0.76 C ATOM 2394 CG GLU A 153 15.444 0.161 5.141 1.00 0.80 C ATOM 2395 CD GLU A 153 16.710 0.800 4.613 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.680 1.362 3.499 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.745 0.736 5.310 1.00 1.58 O ATOM 0 H GLU A 153 13.158 -0.116 4.009 1.00 0.59 H new ATOM 0 HA GLU A 153 15.435 -0.690 2.501 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.502 -1.760 5.203 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.154 -1.790 4.619 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.591 0.792 4.893 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.494 0.106 6.228 1.00 0.80 H new ATOM 2404 N LEU A 154 13.347 -3.170 2.736 1.00 0.67 N ATOM 2405 CA LEU A 154 13.083 -4.537 2.308 1.00 0.72 C ATOM 2406 C LEU A 154 12.706 -4.591 0.832 1.00 0.74 C ATOM 2407 O LEU A 154 13.329 -5.310 0.052 1.00 0.83 O ATOM 2408 CB LEU A 154 11.962 -5.166 3.136 1.00 0.72 C ATOM 2409 CG LEU A 154 12.054 -4.968 4.649 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.104 -5.911 5.356 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.479 -5.157 5.149 1.00 1.14 C ATOM 0 H LEU A 154 12.542 -2.691 3.139 1.00 0.67 H new ATOM 0 HA LEU A 154 14.002 -5.103 2.461 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.011 -4.758 2.793 1.00 0.72 H new ATOM 0 HB3 LEU A 154 11.942 -6.236 2.930 1.00 0.72 H new ATOM 0 HG LEU A 154 11.763 -3.942 4.876 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.178 -5.762 6.433 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.083 -5.711 5.031 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.366 -6.941 5.114 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.508 -5.009 6.229 1.00 1.14 H new ATOM 0 HD22 LEU A 154 13.817 -6.166 4.912 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.133 -4.432 4.665 1.00 1.14 H new ATOM 2423 N TYR A 155 11.673 -3.847 0.448 1.00 0.69 N ATOM 2424 CA TYR A 155 11.222 -3.853 -0.935 1.00 0.78 C ATOM 2425 C TYR A 155 11.424 -2.479 -1.568 1.00 0.77 C ATOM 2426 O TYR A 155 11.960 -2.372 -2.672 1.00 1.15 O ATOM 2427 CB TYR A 155 9.747 -4.252 -0.995 1.00 0.86 C ATOM 2428 CG TYR A 155 9.252 -4.598 -2.383 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.716 -3.626 -3.219 1.00 2.24 C ATOM 2430 CD2 TYR A 155 9.317 -5.902 -2.855 1.00 1.83 C ATOM 2431 CE1 TYR A 155 8.264 -3.945 -4.485 1.00 3.16 C ATOM 2432 CE2 TYR A 155 8.866 -6.229 -4.119 1.00 2.65 C ATOM 2433 CZ TYR A 155 8.340 -5.247 -4.930 1.00 3.24 C ATOM 2434 OH TYR A 155 7.896 -5.569 -6.195 1.00 4.24 O ATOM 0 H TYR A 155 11.139 -3.239 1.069 1.00 0.69 H new ATOM 0 HA TYR A 155 11.811 -4.579 -1.495 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.588 -5.109 -0.341 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.145 -3.434 -0.601 1.00 0.86 H new ATOM 0 HD1 TYR A 155 8.652 -2.605 -2.874 1.00 2.24 H new ATOM 0 HD2 TYR A 155 9.728 -6.675 -2.222 1.00 1.83 H new ATOM 0 HE1 TYR A 155 7.853 -3.177 -5.123 1.00 3.16 H new ATOM 0 HE2 TYR A 155 8.925 -7.249 -4.470 1.00 2.65 H new ATOM 0 HH TYR A 155 7.494 -6.462 -6.183 1.00 4.24 H new ATOM 2444 N GLY A 156 11.062 -1.439 -0.822 1.00 0.66 N ATOM 2445 CA GLY A 156 11.224 -0.068 -1.283 1.00 0.64 C ATOM 2446 C GLY A 156 10.659 0.204 -2.655 1.00 0.78 C ATOM 2447 O GLY A 156 9.792 -0.514 -3.154 1.00 1.10 O ATOM 0 H GLY A 156 10.653 -1.523 0.109 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.745 0.601 -0.568 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.286 0.177 -1.287 1.00 0.64 H new ATOM 2451 N ASN A 157 11.143 1.275 -3.237 1.00 0.70 N ATOM 2452 CA ASN A 157 10.693 1.734 -4.518 1.00 0.80 C ATOM 2453 C ASN A 157 11.782 1.540 -5.556 1.00 1.14 C ATOM 2454 O ASN A 157 12.855 2.130 -5.454 1.00 1.29 O ATOM 2455 CB ASN A 157 10.314 3.206 -4.414 1.00 0.70 C ATOM 2456 CG ASN A 157 9.941 3.811 -5.751 1.00 0.77 C ATOM 2457 OD1 ASN A 157 8.669 3.748 -6.088 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 10.792 4.331 -6.473 1.00 0.76 N flip ATOM 0 H ASN A 157 11.871 1.857 -2.823 1.00 0.70 H new ATOM 0 HA ASN A 157 9.821 1.157 -4.827 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.476 3.313 -3.725 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.149 3.762 -3.989 1.00 0.70 H new ATOM 0 HD21 ASN A 157 11.767 4.359 -6.174 1.00 0.76 H new ATOM 0 HD22 ASN A 157 10.522 4.734 -7.370 1.00 0.76 H new ATOM 2969 N GLY B1005 -10.998 -13.353 0.412 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.788 -14.101 1.658 1.00 1.07 C ATOM 2971 C GLY B1005 -9.744 -15.214 1.548 1.00 1.05 C ATOM 2972 O GLY B1005 -9.049 -15.516 2.515 1.00 1.20 O ATOM 0 HA2 GLY B1005 -10.482 -13.406 2.440 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.736 -14.537 1.972 1.00 1.07 H new ATOM 2976 N ARG B1006 -9.652 -15.839 0.378 1.00 1.08 N ATOM 2977 CA ARG B1006 -8.614 -16.833 0.121 1.00 1.08 C ATOM 2978 C ARG B1006 -7.493 -16.249 -0.731 1.00 1.04 C ATOM 2979 O ARG B1006 -6.316 -16.388 -0.408 1.00 1.10 O ATOM 2980 CB ARG B1006 -9.190 -18.045 -0.608 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.322 -18.724 0.128 1.00 1.24 C ATOM 2982 CD ARG B1006 -9.891 -19.151 1.521 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.023 -19.474 2.383 1.00 1.88 N ATOM 2984 CZ ARG B1006 -10.932 -19.578 3.708 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -9.764 -19.376 4.310 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.006 -19.866 4.434 1.00 2.87 N ATOM 0 H ARG B1006 -10.283 -15.675 -0.407 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.217 -17.137 1.089 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -9.545 -17.731 -1.589 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -8.392 -18.769 -0.774 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.172 -18.046 0.199 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.656 -19.595 -0.436 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -9.237 -20.020 1.445 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -9.307 -18.352 1.978 1.00 1.55 H new ATOM 0 HE ARG B1006 -11.933 -19.628 1.948 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -8.939 -19.142 3.757 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -9.693 -19.455 5.324 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.907 -20.009 3.977 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -11.930 -19.944 5.448 1.00 2.87 H new ATOM 3000 N ALA B1007 -7.880 -15.590 -1.817 1.00 1.02 N ATOM 3001 CA ALA B1007 -6.940 -15.167 -2.851 1.00 1.05 C ATOM 3002 C ALA B1007 -5.913 -14.164 -2.344 1.00 1.02 C ATOM 3003 O ALA B1007 -4.717 -14.381 -2.480 1.00 1.31 O ATOM 3004 CB ALA B1007 -7.690 -14.577 -4.032 1.00 1.10 C ATOM 0 H ALA B1007 -8.849 -15.334 -2.006 1.00 1.02 H new ATOM 0 HA ALA B1007 -6.395 -16.059 -3.161 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -6.978 -14.265 -4.796 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -8.363 -15.327 -4.447 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -8.268 -13.714 -3.701 1.00 1.10 H new ATOM 3010 N LEU B1008 -6.382 -13.081 -1.750 1.00 0.84 N ATOM 3011 CA LEU B1008 -5.507 -11.968 -1.395 1.00 0.83 C ATOM 3012 C LEU B1008 -4.640 -12.367 -0.215 1.00 0.78 C ATOM 3013 O LEU B1008 -3.447 -12.062 -0.173 1.00 0.79 O ATOM 3014 CB LEU B1008 -6.350 -10.729 -1.091 1.00 0.90 C ATOM 3015 CG LEU B1008 -7.634 -10.677 -1.908 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -8.514 -9.507 -1.552 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -7.334 -10.665 -3.400 1.00 1.33 C ATOM 0 H LEU B1008 -7.362 -12.945 -1.502 1.00 0.84 H new ATOM 0 HA LEU B1008 -4.848 -11.723 -2.228 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -6.599 -10.715 -0.030 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -5.760 -9.835 -1.292 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.185 -11.583 -1.657 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -9.412 -9.527 -2.169 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -8.794 -9.569 -0.501 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.973 -8.578 -1.729 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -8.269 -10.628 -3.959 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -6.731 -9.790 -3.643 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -6.787 -11.569 -3.668 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.259 -13.072 0.732 1.00 0.78 N ATOM 3030 CA ALA B1009 -4.547 -13.717 1.813 1.00 0.78 C ATOM 3031 C ALA B1009 -3.357 -14.496 1.260 1.00 0.80 C ATOM 3032 O ALA B1009 -2.220 -14.363 1.710 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.460 -14.684 2.544 1.00 0.88 C ATOM 0 H ALA B1009 -6.270 -13.207 0.763 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.202 -12.947 2.503 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -4.910 -15.162 3.355 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.312 -14.141 2.954 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -5.815 -15.445 1.849 1.00 0.88 H new ATOM 3039 N ALA B1010 -3.665 -15.298 0.245 1.00 0.89 N ATOM 3040 CA ALA B1010 -2.719 -16.204 -0.385 1.00 0.94 C ATOM 3041 C ALA B1010 -1.645 -15.454 -1.171 1.00 0.92 C ATOM 3042 O ALA B1010 -0.449 -15.720 -1.023 1.00 0.92 O ATOM 3043 CB ALA B1010 -3.483 -17.140 -1.309 1.00 1.03 C ATOM 0 H ALA B1010 -4.597 -15.335 -0.168 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.209 -16.769 0.395 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -2.786 -17.826 -1.789 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.211 -17.708 -0.730 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.001 -16.557 -2.071 1.00 1.03 H new ATOM 3049 N PHE B1011 -2.076 -14.522 -2.010 1.00 0.93 N ATOM 3050 CA PHE B1011 -1.165 -13.781 -2.874 1.00 0.93 C ATOM 3051 C PHE B1011 -0.268 -12.852 -2.061 1.00 0.85 C ATOM 3052 O PHE B1011 0.833 -12.502 -2.492 1.00 0.89 O ATOM 3053 CB PHE B1011 -1.953 -12.990 -3.932 1.00 0.97 C ATOM 3054 CG PHE B1011 -2.588 -13.864 -4.985 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -1.820 -14.785 -5.676 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -3.946 -13.777 -5.282 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -2.379 -15.595 -6.639 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -4.508 -14.589 -6.247 1.00 1.32 C ATOM 3059 CZ PHE B1011 -3.723 -15.497 -6.926 1.00 1.46 C ATOM 0 H PHE B1011 -3.056 -14.260 -2.111 1.00 0.93 H new ATOM 0 HA PHE B1011 -0.523 -14.499 -3.385 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -2.730 -12.409 -3.436 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -1.284 -12.279 -4.416 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -0.766 -14.870 -5.456 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -4.565 -13.068 -4.753 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -1.764 -16.307 -7.169 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -5.562 -14.513 -6.470 1.00 1.32 H new ATOM 0 HZ PHE B1011 -4.162 -16.131 -7.682 1.00 1.46 H new ATOM 3069 N GLY B1012 -0.733 -12.484 -0.875 1.00 0.78 N ATOM 3070 CA GLY B1012 0.019 -11.592 -0.014 1.00 0.72 C ATOM 3071 C GLY B1012 1.291 -12.207 0.536 1.00 0.73 C ATOM 3072 O GLY B1012 2.227 -11.489 0.893 1.00 0.78 O ATOM 0 H GLY B1012 -1.627 -12.791 -0.491 1.00 0.78 H new ATOM 0 HA2 GLY B1012 0.273 -10.691 -0.572 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -0.615 -11.284 0.818 1.00 0.72 H new ATOM 3076 N ASP B1013 1.340 -13.533 0.604 1.00 0.78 N ATOM 3077 CA ASP B1013 2.516 -14.230 1.130 1.00 0.86 C ATOM 3078 C ASP B1013 3.722 -14.116 0.198 1.00 0.93 C ATOM 3079 O ASP B1013 4.808 -14.597 0.521 1.00 1.06 O ATOM 3080 CB ASP B1013 2.205 -15.708 1.388 1.00 0.98 C ATOM 3081 CG ASP B1013 1.520 -15.934 2.719 1.00 1.18 C ATOM 3082 OD1 ASP B1013 0.354 -15.533 2.869 1.00 1.90 O ATOM 3083 OD2 ASP B1013 2.156 -16.500 3.636 1.00 1.48 O ATOM 0 H ASP B1013 0.584 -14.148 0.304 1.00 0.78 H new ATOM 0 HA ASP B1013 2.771 -13.743 2.071 1.00 0.86 H new ATOM 0 HB2 ASP B1013 1.570 -16.087 0.587 1.00 0.98 H new ATOM 0 HB3 ASP B1013 3.132 -16.281 1.358 1.00 0.98 H new ATOM 3088 N CYS B1014 3.541 -13.478 -0.951 1.00 0.93 N ATOM 3089 CA CYS B1014 4.622 -13.340 -1.920 1.00 1.06 C ATOM 3090 C CYS B1014 5.126 -11.899 -2.011 1.00 1.08 C ATOM 3091 O CYS B1014 5.949 -11.578 -2.869 1.00 1.44 O ATOM 3092 CB CYS B1014 4.169 -13.815 -3.302 1.00 1.12 C ATOM 3093 SG CYS B1014 4.151 -15.628 -3.516 1.00 1.34 S ATOM 0 H CYS B1014 2.660 -13.049 -1.235 1.00 0.93 H new ATOM 0 HA CYS B1014 5.445 -13.965 -1.573 1.00 1.06 H new ATOM 0 HB2 CYS B1014 3.167 -13.430 -3.493 1.00 1.12 H new ATOM 0 HB3 CYS B1014 4.827 -13.380 -4.055 1.00 1.12 H new ATOM 0 HG CYS B1014 3.751 -15.919 -4.718 1.00 1.34 H new