USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1346 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.288 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.0935 F(o=-1.7,f=0.094) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 20 TYR OH : rot 72:sc= 3.58 USER MOD Single : A 22 CYS SG : rot -101:sc= -0.175! USER MOD Single : A 24 CYS SG : rot -80:sc= 0.519! USER MOD Single : A 26 CYS SG : rot -168:sc=0.000981 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 54:sc= -2.17 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.279 F(o=-1.4,f=-0.28) USER MOD Single : A 38 SER OG : rot -146:sc= -0.17 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.439 F(o=-1.4,f=0.44) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-6.2!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 165:sc= -1.82 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.94! C(o=-3.4!,f=-0.94!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5!) USER MOD Single : A 81 SER OG : rot -148:sc= -1.45! USER MOD Single : A 82 CYS SG : rot 11:sc= -1.66 USER MOD Single : A 86 HIS : no HD1:sc= -0.0749 X(o=-0.075,f=-0.24) USER MOD Single : A 88 SER OG : rot 164:sc= 0.656 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0655 X(o=-0.066,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -133:sc= -2.87! (180deg=-5.53!) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.768 F(o=-2.5,f=-0.77) USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -0.115 (180deg=-0.682) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0308 F(o=-0.56,f=-0.031) USER MOD Single : A 106 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.19) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0799 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 100:sc= -0.205 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.296 K(o=-0.3,f=-0.87) USER MOD Single : A 122 HIS :FLIP no HD1:sc= -0.31 F(o=-0.86,f=-0.31) USER MOD Single : A 127 HIS : no HD1:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 128 SER OG : rot 22:sc= 0.72 USER MOD Single : A 129 CYS SG : rot 51:sc= -1.72! USER MOD Single : A 130 LYS NZ :NH3+ -160:sc= 0.673 (180deg=-0.239) USER MOD Single : A 135 THR OG1 : rot 150:sc= -4.08! USER MOD Single : A 139 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.419 F(o=-1.8!,f=-0.42) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0478 USER MOD Single : A 148 GLN :FLIP amide:sc= -3.05! C(o=-5.6!,f=-3!) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -156:sc= -0.0587 (180deg=-0.647) USER MOD Single : A 156 TYR OH : rot 148:sc= -0.242 USER MOD Single : A 158 LYS NZ :NH3+ 164:sc= -0.0111 (180deg=-0.399) USER MOD Single : A 166 SER OG : rot 3:sc= 0.0626 USER MOD Single : A 170 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.055) USER MOD Single : A 171 SER OG : rot -147:sc= -0.852 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 -9.555 -9.006 -12.086 1.00 0.01 N ATOM 58 CA GLY A 5 -9.506 -8.583 -10.658 1.00 0.01 C ATOM 59 C GLY A 5 -10.805 -7.864 -10.288 1.00 0.01 C ATOM 60 O GLY A 5 -11.526 -7.383 -11.142 1.00 0.01 O ATOM 0 HA2 GLY A 5 -9.365 -9.452 -10.016 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.654 -7.923 -10.493 1.00 0.01 H new ATOM 64 N LYS A 6 -11.113 -7.788 -9.019 1.00 0.00 N ATOM 65 CA LYS A 6 -12.370 -7.102 -8.583 1.00 0.01 C ATOM 66 C LYS A 6 -12.148 -6.364 -7.261 1.00 0.01 C ATOM 67 O LYS A 6 -11.602 -6.897 -6.315 1.00 0.00 O ATOM 68 CB LYS A 6 -13.486 -8.133 -8.401 1.00 0.02 C ATOM 69 CG LYS A 6 -14.840 -7.427 -8.320 1.00 0.02 C ATOM 70 CD LYS A 6 -15.949 -8.477 -8.218 1.00 0.02 C ATOM 71 CE LYS A 6 -17.296 -7.788 -7.996 1.00 0.02 C ATOM 72 NZ LYS A 6 -18.298 -8.794 -7.542 1.00 0.02 N ATOM 0 H LYS A 6 -10.547 -8.172 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.653 -6.381 -9.350 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.482 -8.836 -9.234 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.313 -8.712 -7.494 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.868 -6.766 -7.454 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.992 -6.804 -9.201 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.982 -9.074 -9.129 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.740 -9.161 -7.396 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -17.195 -6.998 -7.252 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -17.632 -7.315 -8.919 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -19.215 -8.327 -7.391 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -18.401 -9.533 -8.267 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -17.978 -9.225 -6.651 1.00 0.02 H new ATOM 86 N ILE A 7 -12.602 -5.134 -7.197 1.00 0.02 N ATOM 87 CA ILE A 7 -12.471 -4.318 -5.950 1.00 0.00 C ATOM 88 C ILE A 7 -13.851 -3.735 -5.614 1.00 0.02 C ATOM 89 O ILE A 7 -14.582 -3.308 -6.489 1.00 0.01 O ATOM 90 CB ILE A 7 -11.433 -3.209 -6.159 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.461 -2.243 -4.971 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.740 -2.439 -7.439 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.233 -1.328 -5.027 1.00 0.02 C ATOM 0 H ILE A 7 -13.065 -4.655 -7.969 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.129 -4.935 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.445 -3.663 -6.239 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.373 -1.647 -4.995 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.469 -2.801 -4.035 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.997 -1.654 -7.578 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.711 -3.120 -8.289 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.731 -1.992 -7.366 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.253 -0.640 -4.182 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.327 -1.932 -4.982 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.245 -0.760 -5.957 1.00 0.02 H new ATOM 105 N SER A 8 -14.215 -3.718 -4.353 1.00 0.02 N ATOM 106 CA SER A 8 -15.551 -3.164 -3.943 1.00 0.02 C ATOM 107 C SER A 8 -15.361 -2.004 -2.961 1.00 0.01 C ATOM 108 O SER A 8 -14.678 -2.127 -1.966 1.00 0.02 O ATOM 109 CB SER A 8 -16.379 -4.256 -3.264 1.00 0.30 C ATOM 110 OG SER A 8 -16.290 -5.452 -4.024 1.00 0.39 O ATOM 0 H SER A 8 -13.642 -4.066 -3.584 1.00 0.02 H new ATOM 0 HA SER A 8 -16.068 -2.807 -4.834 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.015 -4.427 -2.251 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.419 -3.941 -3.180 1.00 0.30 H new ATOM 0 HG SER A 8 -16.818 -6.155 -3.591 1.00 0.39 H new ATOM 116 N PHE A 9 -15.992 -0.884 -3.234 1.00 0.02 N ATOM 117 CA PHE A 9 -15.899 0.305 -2.325 1.00 0.01 C ATOM 118 C PHE A 9 -17.255 0.502 -1.635 1.00 0.01 C ATOM 119 O PHE A 9 -18.290 0.337 -2.251 1.00 0.02 O ATOM 120 CB PHE A 9 -15.577 1.561 -3.146 1.00 0.02 C ATOM 121 CG PHE A 9 -14.476 1.274 -4.138 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.771 0.618 -5.339 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.163 1.680 -3.867 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.756 0.364 -6.267 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.147 1.429 -4.798 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.444 0.770 -5.998 1.00 0.02 C ATOM 0 H PHE A 9 -16.575 -0.742 -4.059 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.114 0.141 -1.587 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.470 1.898 -3.672 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.274 2.370 -2.481 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.784 0.308 -5.549 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.934 2.186 -2.941 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -13.985 -0.146 -7.191 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.135 1.743 -4.591 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.661 0.575 -6.715 1.00 0.02 H new ATOM 136 N TYR A 10 -17.262 0.847 -0.365 1.00 0.02 N ATOM 137 CA TYR A 10 -18.559 1.050 0.369 1.00 0.01 C ATOM 138 C TYR A 10 -18.609 2.474 0.932 1.00 0.02 C ATOM 139 O TYR A 10 -17.625 2.991 1.423 1.00 0.01 O ATOM 140 CB TYR A 10 -18.648 0.049 1.526 1.00 0.02 C ATOM 141 CG TYR A 10 -18.247 -1.329 1.048 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.902 -1.614 0.784 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.219 -2.322 0.875 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.529 -2.891 0.347 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.844 -3.600 0.438 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.500 -3.883 0.174 1.00 0.00 C ATOM 147 OH TYR A 10 -17.131 -5.141 -0.258 1.00 0.02 O ATOM 0 H TYR A 10 -16.424 0.997 0.196 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.393 0.897 -0.316 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.997 0.364 2.342 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.664 0.025 1.920 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.152 -0.849 0.917 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.257 -2.103 1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.491 -3.110 0.143 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.593 -4.366 0.305 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.926 -5.710 -0.325 1.00 0.02 H new ATOM 157 N GLU A 11 -19.739 3.125 0.835 1.00 0.00 N ATOM 158 CA GLU A 11 -19.831 4.527 1.332 1.00 0.02 C ATOM 159 C GLU A 11 -19.729 4.586 2.855 1.00 0.03 C ATOM 160 O GLU A 11 -19.295 5.583 3.400 1.00 0.03 O ATOM 161 CB GLU A 11 -21.167 5.134 0.905 1.00 0.00 C ATOM 162 CG GLU A 11 -21.253 5.156 -0.618 1.00 0.00 C ATOM 163 CD GLU A 11 -22.459 5.994 -1.049 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.241 6.356 -0.187 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.577 6.258 -2.234 1.00 0.02 O ATOM 0 H GLU A 11 -20.598 2.747 0.435 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.001 5.089 0.904 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.991 4.552 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.262 6.146 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.338 5.573 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.346 4.140 -1.002 1.00 0.00 H new ATOM 172 N ASP A 12 -20.114 3.543 3.558 1.00 0.02 N ATOM 173 CA ASP A 12 -20.026 3.568 5.054 1.00 0.01 C ATOM 174 C ASP A 12 -19.006 2.532 5.535 1.00 0.02 C ATOM 175 O ASP A 12 -18.518 1.713 4.783 1.00 0.02 O ATOM 176 CB ASP A 12 -21.394 3.243 5.663 1.00 0.01 C ATOM 177 CG ASP A 12 -22.483 4.006 4.907 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.135 4.798 4.047 1.00 0.03 O ATOM 179 OD2 ASP A 12 -23.645 3.786 5.200 1.00 0.02 O ATOM 0 H ASP A 12 -20.484 2.679 3.161 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.712 4.563 5.369 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.582 2.171 5.609 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.409 3.517 6.718 1.00 0.01 H new ATOM 184 N ARG A 13 -18.687 2.587 6.795 1.00 0.02 N ATOM 185 CA ARG A 13 -17.698 1.641 7.384 1.00 0.02 C ATOM 186 C ARG A 13 -18.333 0.260 7.584 1.00 0.00 C ATOM 187 O ARG A 13 -19.542 0.108 7.595 1.00 0.02 O ATOM 188 CB ARG A 13 -17.252 2.199 8.735 1.00 0.00 C ATOM 189 CG ARG A 13 -16.408 3.457 8.518 1.00 0.01 C ATOM 190 CD ARG A 13 -16.121 4.120 9.867 1.00 0.02 C ATOM 191 NE ARG A 13 -15.538 5.472 9.640 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.486 6.330 10.620 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.947 6.004 11.796 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.975 7.515 10.425 1.00 0.02 N ATOM 0 H ARG A 13 -19.076 3.260 7.455 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.846 1.533 6.713 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.122 2.434 9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.674 1.450 9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.473 3.199 8.022 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.934 4.152 7.864 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -17.040 4.201 10.448 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.431 3.507 10.446 1.00 0.02 H new ATOM 0 HE ARG A 13 -15.180 5.726 8.719 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -16.348 5.078 11.948 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.907 6.675 12.563 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.616 7.770 9.505 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.935 8.186 11.192 1.00 0.02 H new ATOM 208 N ASN A 14 -17.510 -0.746 7.741 1.00 0.02 N ATOM 209 CA ASN A 14 -18.017 -2.134 7.958 1.00 0.02 C ATOM 210 C ASN A 14 -18.814 -2.619 6.748 1.00 0.02 C ATOM 211 O ASN A 14 -19.742 -3.394 6.857 1.00 0.02 O ATOM 212 CB ASN A 14 -18.884 -2.156 9.221 1.00 0.26 C ATOM 213 CG ASN A 14 -19.045 -3.598 9.711 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.756 -3.889 10.950 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 -19.438 -4.468 8.959 1.00 0.46 N flip ATOM 0 H ASN A 14 -16.494 -0.662 7.728 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.171 -2.810 8.086 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.425 -1.546 9.999 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.861 -1.722 9.011 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -19.664 -4.241 7.991 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -19.542 -5.425 9.296 1.00 0.46 H new ATOM 222 N PHE A 15 -18.414 -2.176 5.589 1.00 0.02 N ATOM 223 CA PHE A 15 -19.082 -2.603 4.328 1.00 0.02 C ATOM 224 C PHE A 15 -20.586 -2.317 4.378 1.00 0.00 C ATOM 225 O PHE A 15 -21.391 -3.096 3.909 1.00 0.02 O ATOM 226 CB PHE A 15 -18.850 -4.112 4.118 1.00 0.02 C ATOM 227 CG PHE A 15 -17.515 -4.508 4.708 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.333 -4.245 4.004 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.461 -5.137 5.959 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.098 -4.610 4.553 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.228 -5.500 6.506 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.045 -5.238 5.803 1.00 0.02 C ATOM 0 H PHE A 15 -17.639 -1.525 5.460 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.655 -2.039 3.499 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.651 -4.682 4.589 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.873 -4.349 3.054 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.374 -3.761 3.039 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.373 -5.341 6.500 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.186 -4.407 4.012 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.187 -5.983 7.471 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.092 -5.521 6.225 1.00 0.02 H new ATOM 242 N GLN A 16 -20.963 -1.186 4.919 1.00 0.02 N ATOM 243 CA GLN A 16 -22.411 -0.812 4.979 1.00 0.02 C ATOM 244 C GLN A 16 -22.642 0.363 4.021 1.00 0.02 C ATOM 245 O GLN A 16 -21.707 1.000 3.576 1.00 0.02 O ATOM 246 CB GLN A 16 -22.762 -0.383 6.409 1.00 0.02 C ATOM 247 CG GLN A 16 -22.943 -1.624 7.287 1.00 0.00 C ATOM 248 CD GLN A 16 -23.176 -1.195 8.738 1.00 0.00 C ATOM 249 OE1 GLN A 16 -23.826 -0.090 8.984 1.00 0.02 O flip ATOM 250 NE2 GLN A 16 -22.761 -1.872 9.658 1.00 0.02 N flip ATOM 0 H GLN A 16 -20.326 -0.500 5.325 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.036 -1.658 4.694 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.972 0.250 6.814 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.676 0.210 6.407 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.788 -2.214 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.060 -2.260 7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.253 -2.736 9.467 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -22.921 -1.577 10.621 1.00 0.02 H new ATOM 259 N GLY A 17 -23.872 0.659 3.694 1.00 0.03 N ATOM 260 CA GLY A 17 -24.145 1.801 2.766 1.00 0.03 C ATOM 261 C GLY A 17 -24.143 1.332 1.305 1.00 0.02 C ATOM 262 O GLY A 17 -24.149 0.152 1.017 1.00 0.02 O ATOM 0 H GLY A 17 -24.699 0.163 4.027 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.109 2.248 3.007 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.391 2.576 2.904 1.00 0.03 H new ATOM 266 N ARG A 18 -24.126 2.260 0.383 1.00 0.00 N ATOM 267 CA ARG A 18 -24.113 1.896 -1.067 1.00 0.02 C ATOM 268 C ARG A 18 -22.756 1.282 -1.423 1.00 0.02 C ATOM 269 O ARG A 18 -21.729 1.674 -0.902 1.00 0.02 O ATOM 270 CB ARG A 18 -24.352 3.158 -1.903 1.00 0.79 C ATOM 271 CG ARG A 18 -24.764 2.766 -3.327 1.00 1.49 C ATOM 272 CD ARG A 18 -24.560 3.950 -4.276 1.00 1.42 C ATOM 273 NE ARG A 18 -25.018 5.220 -3.620 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.235 5.353 -3.161 1.00 2.35 C ATOM 275 NH1 ARG A 18 -27.141 4.447 -3.413 1.00 2.53 N ATOM 276 NH2 ARG A 18 -26.561 6.425 -2.490 1.00 2.76 N ATOM 0 H ARG A 18 -24.121 3.262 0.573 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.899 1.170 -1.276 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.130 3.768 -1.444 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.447 3.764 -1.930 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -24.174 1.914 -3.664 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.809 2.455 -3.340 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -23.508 4.031 -4.548 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -25.116 3.787 -5.199 1.00 1.42 H new ATOM 0 HE ARG A 18 -24.364 5.998 -3.530 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -26.902 3.628 -3.972 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -28.088 4.558 -3.051 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -25.867 7.155 -2.326 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.509 6.533 -2.130 1.00 2.76 H new ATOM 290 N ARG A 19 -22.749 0.299 -2.294 1.00 0.02 N ATOM 291 CA ARG A 19 -21.471 -0.380 -2.684 1.00 0.02 C ATOM 292 C ARG A 19 -21.251 -0.278 -4.199 1.00 0.02 C ATOM 293 O ARG A 19 -22.185 -0.255 -4.976 1.00 0.02 O ATOM 294 CB ARG A 19 -21.577 -1.860 -2.305 1.00 0.85 C ATOM 295 CG ARG A 19 -20.213 -2.542 -2.464 1.00 1.31 C ATOM 296 CD ARG A 19 -20.375 -4.057 -2.320 1.00 1.34 C ATOM 297 NE ARG A 19 -20.913 -4.621 -3.591 1.00 1.50 N ATOM 298 CZ ARG A 19 -20.850 -5.905 -3.813 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.314 -6.694 -2.922 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.320 -6.400 -4.924 1.00 1.89 N ATOM 0 H ARG A 19 -23.583 -0.065 -2.755 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.637 0.099 -2.170 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.923 -1.956 -1.276 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.315 -2.354 -2.937 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.787 -2.303 -3.439 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.518 -2.168 -1.712 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.415 -4.516 -2.084 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.049 -4.285 -1.494 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.330 -4.003 -4.287 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -19.945 -6.306 -2.054 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.264 -7.698 -3.094 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -21.738 -5.783 -5.621 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.270 -7.404 -5.096 1.00 1.89 H new ATOM 314 N TYR A 20 -20.007 -0.251 -4.615 1.00 0.02 N ATOM 315 CA TYR A 20 -19.683 -0.189 -6.078 1.00 0.02 C ATOM 316 C TYR A 20 -18.565 -1.191 -6.379 1.00 0.02 C ATOM 317 O TYR A 20 -17.564 -1.229 -5.695 1.00 0.02 O ATOM 318 CB TYR A 20 -19.243 1.228 -6.483 1.00 0.02 C ATOM 319 CG TYR A 20 -19.479 1.422 -7.970 1.00 0.01 C ATOM 320 CD1 TYR A 20 -20.786 1.385 -8.480 1.00 0.02 C ATOM 321 CD2 TYR A 20 -18.398 1.628 -8.838 1.00 0.01 C ATOM 322 CE1 TYR A 20 -21.009 1.551 -9.852 1.00 0.02 C ATOM 323 CE2 TYR A 20 -18.626 1.796 -10.210 1.00 0.02 C ATOM 324 CZ TYR A 20 -19.930 1.758 -10.716 1.00 0.02 C ATOM 325 OH TYR A 20 -20.149 1.921 -12.067 1.00 0.01 O ATOM 0 H TYR A 20 -19.195 -0.269 -3.999 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.575 -0.440 -6.652 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.802 1.971 -5.915 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.189 1.375 -6.248 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -21.621 1.228 -7.813 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -17.391 1.657 -8.450 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -22.015 1.519 -10.243 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -17.793 1.955 -10.879 1.00 0.02 H new ATOM 0 HH TYR A 20 -20.561 2.795 -12.228 1.00 0.01 H new ATOM 335 N ASP A 21 -18.730 -2.001 -7.394 1.00 0.01 N ATOM 336 CA ASP A 21 -17.683 -3.013 -7.753 1.00 0.02 C ATOM 337 C ASP A 21 -17.041 -2.631 -9.093 1.00 0.00 C ATOM 338 O ASP A 21 -17.715 -2.238 -10.024 1.00 0.01 O ATOM 339 CB ASP A 21 -18.351 -4.383 -7.881 1.00 0.12 C ATOM 340 CG ASP A 21 -19.662 -4.241 -8.656 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.592 -3.668 -8.112 1.00 1.12 O ATOM 342 OD2 ASP A 21 -19.715 -4.711 -9.780 1.00 0.56 O ATOM 0 H ASP A 21 -19.553 -2.006 -7.997 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.913 -3.043 -6.982 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.686 -5.077 -8.395 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.544 -4.799 -6.892 1.00 0.12 H new ATOM 347 N CYS A 22 -15.734 -2.740 -9.183 1.00 0.01 N ATOM 348 CA CYS A 22 -15.018 -2.381 -10.452 1.00 0.00 C ATOM 349 C CYS A 22 -14.086 -3.527 -10.859 1.00 0.02 C ATOM 350 O CYS A 22 -13.424 -4.130 -10.034 1.00 0.01 O ATOM 351 CB CYS A 22 -14.202 -1.108 -10.229 1.00 0.00 C ATOM 352 SG CYS A 22 -13.515 -0.553 -11.810 1.00 0.02 S ATOM 0 H CYS A 22 -15.130 -3.064 -8.428 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.745 -2.212 -11.246 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.832 -0.329 -9.800 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.399 -1.297 -9.517 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.268 -0.911 -11.891 1.00 0.02 H new ATOM 358 N ASP A 23 -14.038 -3.833 -12.135 1.00 0.01 N ATOM 359 CA ASP A 23 -13.164 -4.945 -12.634 1.00 0.02 C ATOM 360 C ASP A 23 -12.105 -4.396 -13.597 1.00 0.00 C ATOM 361 O ASP A 23 -11.429 -5.145 -14.273 1.00 0.02 O ATOM 362 CB ASP A 23 -14.034 -5.970 -13.365 1.00 0.16 C ATOM 363 CG ASP A 23 -15.222 -6.355 -12.481 1.00 0.17 C ATOM 364 OD1 ASP A 23 -15.052 -7.216 -11.634 1.00 0.17 O ATOM 365 OD2 ASP A 23 -16.284 -5.781 -12.668 1.00 0.20 O ATOM 0 H ASP A 23 -14.573 -3.355 -12.860 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.661 -5.415 -11.789 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.389 -5.555 -14.308 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -13.446 -6.855 -13.607 1.00 0.16 H new ATOM 370 N CYS A 24 -11.943 -3.099 -13.664 1.00 0.01 N ATOM 371 CA CYS A 24 -10.914 -2.520 -14.579 1.00 0.01 C ATOM 372 C CYS A 24 -10.571 -1.104 -14.102 1.00 0.01 C ATOM 373 O CYS A 24 -11.180 -0.592 -13.183 1.00 0.01 O ATOM 374 CB CYS A 24 -11.468 -2.465 -16.003 1.00 0.62 C ATOM 375 SG CYS A 24 -10.176 -1.880 -17.129 1.00 1.23 S ATOM 0 H CYS A 24 -12.478 -2.417 -13.126 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.017 -3.140 -14.571 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -11.813 -3.453 -16.309 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -12.330 -1.799 -16.044 1.00 0.62 H new ATOM 0 HG CYS A 24 -10.086 -0.585 -17.051 1.00 1.23 H new ATOM 381 N ASP A 25 -9.602 -0.459 -14.701 1.00 0.02 N ATOM 382 CA ASP A 25 -9.236 0.919 -14.260 1.00 0.01 C ATOM 383 C ASP A 25 -10.421 1.867 -14.450 1.00 0.02 C ATOM 384 O ASP A 25 -11.174 1.755 -15.397 1.00 0.00 O ATOM 385 CB ASP A 25 -8.065 1.422 -15.107 1.00 0.01 C ATOM 386 CG ASP A 25 -8.367 1.177 -16.588 1.00 0.01 C ATOM 387 OD1 ASP A 25 -9.490 0.807 -16.889 1.00 0.01 O ATOM 388 OD2 ASP A 25 -7.469 1.360 -17.394 1.00 0.01 O ATOM 0 H ASP A 25 -9.050 -0.827 -15.475 1.00 0.02 H new ATOM 0 HA ASP A 25 -8.960 0.892 -13.206 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -7.903 2.485 -14.929 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.148 0.907 -14.821 1.00 0.01 H new ATOM 393 N CYS A 26 -10.573 2.820 -13.563 1.00 0.01 N ATOM 394 CA CYS A 26 -11.687 3.816 -13.684 1.00 0.01 C ATOM 395 C CYS A 26 -11.116 5.221 -13.433 1.00 0.01 C ATOM 396 O CYS A 26 -10.561 5.494 -12.388 1.00 0.01 O ATOM 397 CB CYS A 26 -12.790 3.492 -12.663 1.00 0.01 C ATOM 398 SG CYS A 26 -14.417 3.846 -13.381 1.00 0.02 S ATOM 0 H CYS A 26 -9.968 2.953 -12.753 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.123 3.773 -14.682 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.732 2.443 -12.372 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.645 4.083 -11.758 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.320 3.816 -12.446 1.00 0.02 H new ATOM 404 N ALA A 27 -11.211 6.089 -14.403 1.00 0.01 N ATOM 405 CA ALA A 27 -10.633 7.456 -14.248 1.00 0.01 C ATOM 406 C ALA A 27 -11.515 8.347 -13.365 1.00 0.01 C ATOM 407 O ALA A 27 -11.061 9.353 -12.856 1.00 0.02 O ATOM 408 CB ALA A 27 -10.482 8.102 -15.625 1.00 0.24 C ATOM 0 H ALA A 27 -11.665 5.911 -15.299 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.661 7.357 -13.765 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.060 9.101 -15.514 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.819 7.494 -16.241 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.459 8.172 -16.103 1.00 0.24 H new ATOM 414 N ASP A 28 -12.766 8.013 -13.192 1.00 0.01 N ATOM 415 CA ASP A 28 -13.652 8.883 -12.352 1.00 0.02 C ATOM 416 C ASP A 28 -14.807 8.074 -11.752 1.00 0.01 C ATOM 417 O ASP A 28 -15.723 7.673 -12.442 1.00 0.02 O ATOM 418 CB ASP A 28 -14.220 10.010 -13.217 1.00 0.67 C ATOM 419 CG ASP A 28 -15.088 9.414 -14.323 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.561 8.653 -15.118 1.00 1.14 O ATOM 421 OD2 ASP A 28 -16.267 9.730 -14.359 1.00 0.87 O ATOM 0 H ASP A 28 -13.212 7.186 -13.589 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.059 9.296 -11.536 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -14.810 10.691 -12.604 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.409 10.594 -13.651 1.00 0.67 H new ATOM 426 N PHE A 29 -14.772 7.838 -10.461 1.00 0.02 N ATOM 427 CA PHE A 29 -15.857 7.066 -9.781 1.00 0.02 C ATOM 428 C PHE A 29 -16.871 8.044 -9.175 1.00 0.00 C ATOM 429 O PHE A 29 -17.749 7.661 -8.430 1.00 0.02 O ATOM 430 CB PHE A 29 -15.252 6.249 -8.621 1.00 2.87 C ATOM 431 CG PHE A 29 -14.642 4.945 -9.101 1.00 3.99 C ATOM 432 CD1 PHE A 29 -15.438 3.981 -9.740 1.00 4.52 C ATOM 433 CD2 PHE A 29 -13.283 4.683 -8.869 1.00 4.68 C ATOM 434 CE1 PHE A 29 -14.871 2.767 -10.148 1.00 5.75 C ATOM 435 CE2 PHE A 29 -12.725 3.468 -9.273 1.00 5.85 C ATOM 436 CZ PHE A 29 -13.517 2.510 -9.913 1.00 6.37 C ATOM 0 H PHE A 29 -14.025 8.154 -9.842 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.336 6.410 -10.508 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -14.488 6.843 -8.119 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -16.027 6.037 -7.884 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -16.486 4.175 -9.917 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -12.668 5.422 -8.377 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -15.481 2.028 -10.645 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -11.679 3.268 -9.091 1.00 5.85 H new ATOM 0 HZ PHE A 29 -13.083 1.572 -10.226 1.00 6.37 H new ATOM 446 N ARG A 30 -16.709 9.313 -9.436 1.00 0.01 N ATOM 447 CA ARG A 30 -17.609 10.329 -8.824 1.00 0.00 C ATOM 448 C ARG A 30 -19.071 10.120 -9.219 1.00 0.01 C ATOM 449 O ARG A 30 -19.963 10.462 -8.469 1.00 0.02 O ATOM 450 CB ARG A 30 -17.176 11.728 -9.262 1.00 0.32 C ATOM 451 CG ARG A 30 -15.803 12.047 -8.669 1.00 0.86 C ATOM 452 CD ARG A 30 -15.355 13.433 -9.137 1.00 1.62 C ATOM 453 NE ARG A 30 -15.241 13.445 -10.623 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.170 14.579 -11.263 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.206 15.705 -10.604 1.00 3.11 N ATOM 456 NH2 ARG A 30 -15.064 14.588 -12.565 1.00 3.02 N ATOM 0 H ARG A 30 -15.988 9.690 -10.050 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.531 10.220 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.136 11.784 -10.350 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.907 12.466 -8.932 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.849 12.016 -7.580 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.078 11.295 -8.979 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -16.071 14.187 -8.811 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.396 13.688 -8.686 1.00 1.62 H new ATOM 0 HE ARG A 30 -15.219 12.566 -11.140 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.290 15.699 -9.587 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.150 16.591 -11.106 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -15.037 13.708 -13.081 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -15.008 15.475 -13.066 1.00 3.02 H new ATOM 470 N SER A 31 -19.353 9.601 -10.384 1.00 0.02 N ATOM 471 CA SER A 31 -20.781 9.433 -10.785 1.00 0.02 C ATOM 472 C SER A 31 -21.410 8.205 -10.123 1.00 0.01 C ATOM 473 O SER A 31 -22.617 8.073 -10.070 1.00 0.02 O ATOM 474 CB SER A 31 -20.858 9.276 -12.304 1.00 0.37 C ATOM 475 OG SER A 31 -20.090 10.302 -12.920 1.00 0.88 O ATOM 0 H SER A 31 -18.665 9.289 -11.069 1.00 0.02 H new ATOM 0 HA SER A 31 -21.332 10.315 -10.460 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.482 8.297 -12.600 1.00 0.37 H new ATOM 0 HB3 SER A 31 -21.895 9.333 -12.635 1.00 0.37 H new ATOM 0 HG SER A 31 -20.135 10.204 -13.894 1.00 0.88 H new ATOM 481 N TYR A 32 -20.604 7.287 -9.649 1.00 0.01 N ATOM 482 CA TYR A 32 -21.150 6.038 -9.025 1.00 0.01 C ATOM 483 C TYR A 32 -20.973 6.067 -7.506 1.00 0.02 C ATOM 484 O TYR A 32 -21.643 5.356 -6.785 1.00 0.02 O ATOM 485 CB TYR A 32 -20.384 4.841 -9.589 1.00 0.02 C ATOM 486 CG TYR A 32 -20.801 4.607 -11.022 1.00 0.02 C ATOM 487 CD1 TYR A 32 -22.047 4.029 -11.301 1.00 0.01 C ATOM 488 CD2 TYR A 32 -19.945 4.967 -12.072 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.436 3.812 -12.627 1.00 0.00 C ATOM 490 CE2 TYR A 32 -20.336 4.748 -13.398 1.00 0.02 C ATOM 491 CZ TYR A 32 -21.582 4.171 -13.675 1.00 0.02 C ATOM 492 OH TYR A 32 -21.969 3.955 -14.982 1.00 0.02 O ATOM 0 H TYR A 32 -19.586 7.348 -9.667 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.214 5.963 -9.251 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.311 5.025 -9.537 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.585 3.952 -8.991 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.707 3.751 -10.492 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -18.985 5.413 -11.858 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.396 3.367 -12.842 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -19.677 5.024 -14.208 1.00 0.02 H new ATOM 0 HH TYR A 32 -21.262 4.261 -15.587 1.00 0.02 H new ATOM 502 N LEU A 33 -20.056 6.851 -7.009 1.00 0.02 N ATOM 503 CA LEU A 33 -19.819 6.882 -5.535 1.00 0.02 C ATOM 504 C LEU A 33 -19.345 8.277 -5.115 1.00 0.02 C ATOM 505 O LEU A 33 -18.416 8.827 -5.671 1.00 0.02 O ATOM 506 CB LEU A 33 -18.709 5.869 -5.218 1.00 1.66 C ATOM 507 CG LEU A 33 -18.763 5.463 -3.731 1.00 2.38 C ATOM 508 CD1 LEU A 33 -19.781 4.336 -3.517 1.00 3.32 C ATOM 509 CD2 LEU A 33 -17.383 4.980 -3.283 1.00 2.80 C ATOM 0 H LEU A 33 -19.461 7.471 -7.558 1.00 0.02 H new ATOM 0 HA LEU A 33 -20.738 6.640 -5.002 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -18.822 4.986 -5.847 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -17.736 6.302 -5.449 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.065 6.331 -3.145 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -19.805 4.063 -2.462 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -20.770 4.675 -3.827 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -19.493 3.468 -4.110 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -17.421 4.693 -2.232 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -17.086 4.120 -3.883 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -16.657 5.782 -3.414 1.00 2.80 H new ATOM 521 N SER A 34 -19.999 8.856 -4.139 1.00 0.02 N ATOM 522 CA SER A 34 -19.622 10.222 -3.675 1.00 0.02 C ATOM 523 C SER A 34 -18.514 10.160 -2.616 1.00 0.00 C ATOM 524 O SER A 34 -17.927 11.164 -2.269 1.00 0.01 O ATOM 525 CB SER A 34 -20.852 10.903 -3.077 1.00 0.02 C ATOM 526 OG SER A 34 -21.867 10.993 -4.067 1.00 0.02 O ATOM 0 H SER A 34 -20.784 8.435 -3.641 1.00 0.02 H new ATOM 0 HA SER A 34 -19.250 10.788 -4.529 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.214 10.337 -2.219 1.00 0.02 H new ATOM 0 HB3 SER A 34 -20.591 11.898 -2.715 1.00 0.02 H new ATOM 0 HG SER A 34 -22.658 11.428 -3.686 1.00 0.02 H new ATOM 532 N ARG A 35 -18.221 8.995 -2.095 1.00 0.02 N ATOM 533 CA ARG A 35 -17.154 8.871 -1.059 1.00 0.01 C ATOM 534 C ARG A 35 -16.904 7.381 -0.804 1.00 0.02 C ATOM 535 O ARG A 35 -17.722 6.545 -1.133 1.00 0.02 O ATOM 536 CB ARG A 35 -17.609 9.543 0.239 1.00 0.02 C ATOM 537 CG ARG A 35 -19.055 9.144 0.540 1.00 0.02 C ATOM 538 CD ARG A 35 -19.444 9.646 1.931 1.00 0.02 C ATOM 539 NE ARG A 35 -19.262 11.123 1.994 1.00 0.02 N ATOM 540 CZ ARG A 35 -19.801 11.806 2.966 1.00 0.02 C ATOM 541 NH1 ARG A 35 -20.502 11.196 3.881 1.00 0.00 N ATOM 542 NH2 ARG A 35 -19.636 13.099 3.022 1.00 0.02 N ATOM 0 H ARG A 35 -18.679 8.119 -2.346 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.240 9.356 -1.403 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -16.959 9.245 1.062 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.531 10.626 0.147 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.724 9.566 -0.211 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -19.162 8.060 0.490 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -20.481 9.387 2.146 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -18.830 9.160 2.690 1.00 0.02 H new ATOM 0 HE ARG A 35 -18.716 11.600 1.277 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -20.629 10.185 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.923 11.730 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.086 13.574 2.306 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.057 13.634 3.781 1.00 0.02 H new ATOM 556 N CYS A 36 -15.787 7.034 -0.216 1.00 0.02 N ATOM 557 CA CYS A 36 -15.485 5.595 0.064 1.00 0.02 C ATOM 558 C CYS A 36 -14.770 5.492 1.416 1.00 0.02 C ATOM 559 O CYS A 36 -13.684 6.017 1.566 1.00 0.02 O ATOM 560 CB CYS A 36 -14.572 5.058 -1.051 1.00 0.02 C ATOM 561 SG CYS A 36 -13.635 3.622 -0.469 1.00 0.02 S ATOM 0 H CYS A 36 -15.066 7.690 0.085 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.405 5.011 0.096 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -15.172 4.781 -1.918 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -13.886 5.840 -1.375 1.00 0.02 H new ATOM 0 HG CYS A 36 -14.455 2.732 0.006 1.00 0.02 H new ATOM 567 N ASN A 37 -15.356 4.853 2.411 1.00 0.02 N ATOM 568 CA ASN A 37 -14.676 4.771 3.750 1.00 0.01 C ATOM 569 C ASN A 37 -14.184 3.346 4.044 1.00 0.02 C ATOM 570 O ASN A 37 -13.595 3.080 5.075 1.00 0.02 O ATOM 571 CB ASN A 37 -15.654 5.194 4.849 1.00 0.02 C ATOM 572 CG ASN A 37 -15.998 6.676 4.684 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.601 7.075 3.597 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 -15.714 7.478 5.550 1.00 0.02 N flip ATOM 0 H ASN A 37 -16.264 4.391 2.354 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.814 5.438 3.729 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.561 4.591 4.795 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.213 5.019 5.830 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -15.243 7.166 6.399 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -15.947 8.464 5.428 1.00 0.02 H new ATOM 581 N SER A 38 -14.403 2.430 3.132 1.00 0.02 N ATOM 582 CA SER A 38 -13.934 1.024 3.331 1.00 0.02 C ATOM 583 C SER A 38 -13.794 0.362 1.956 1.00 0.01 C ATOM 584 O SER A 38 -14.440 0.749 1.001 1.00 0.02 O ATOM 585 CB SER A 38 -14.925 0.241 4.192 1.00 0.01 C ATOM 586 OG SER A 38 -14.967 0.806 5.495 1.00 0.02 O ATOM 0 H SER A 38 -14.890 2.598 2.252 1.00 0.02 H new ATOM 0 HA SER A 38 -12.973 1.028 3.846 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.917 0.267 3.740 1.00 0.01 H new ATOM 0 HB3 SER A 38 -14.628 -0.806 4.247 1.00 0.01 H new ATOM 0 HG SER A 38 -15.117 0.097 6.154 1.00 0.02 H new ATOM 592 N ILE A 39 -12.938 -0.627 1.838 1.00 0.02 N ATOM 593 CA ILE A 39 -12.744 -1.289 0.507 1.00 0.02 C ATOM 594 C ILE A 39 -12.445 -2.781 0.670 1.00 0.02 C ATOM 595 O ILE A 39 -11.776 -3.214 1.590 1.00 0.02 O ATOM 596 CB ILE A 39 -11.547 -0.639 -0.196 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.690 0.882 -0.132 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.495 -1.086 -1.661 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.609 1.547 -0.985 1.00 0.00 C ATOM 0 H ILE A 39 -12.370 -1.002 2.598 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.660 -1.171 -0.072 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.627 -0.944 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.677 1.178 -0.487 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.608 1.220 0.901 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.642 -0.620 -2.154 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.393 -2.170 -1.707 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.413 -0.786 -2.166 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.719 2.630 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.625 1.264 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.711 1.221 -2.020 1.00 0.00 H new ATOM 611 N ARG A 40 -12.897 -3.561 -0.281 1.00 0.02 N ATOM 612 CA ARG A 40 -12.617 -5.026 -0.286 1.00 0.02 C ATOM 613 C ARG A 40 -11.913 -5.362 -1.604 1.00 0.01 C ATOM 614 O ARG A 40 -12.451 -5.124 -2.667 1.00 0.02 O ATOM 615 CB ARG A 40 -13.913 -5.837 -0.192 1.00 0.01 C ATOM 616 CG ARG A 40 -13.579 -7.300 0.103 1.00 0.02 C ATOM 617 CD ARG A 40 -14.809 -8.170 -0.159 1.00 0.02 C ATOM 618 NE ARG A 40 -15.026 -8.292 -1.629 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.824 -9.212 -2.099 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.432 -10.028 -1.281 1.00 0.02 N ATOM 621 NH2 ARG A 40 -16.014 -9.317 -3.387 1.00 0.02 N ATOM 0 H ARG A 40 -13.459 -3.235 -1.068 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.997 -5.278 0.574 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.551 -5.433 0.594 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.470 -5.761 -1.126 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.749 -7.628 -0.523 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -13.258 -7.409 1.139 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -14.671 -9.157 0.282 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.687 -7.730 0.314 1.00 0.02 H new ATOM 0 HE ARG A 40 -14.550 -7.656 -2.268 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.283 -9.946 -0.275 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.056 -10.747 -1.648 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -15.539 -8.680 -4.026 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -16.638 -10.036 -3.754 1.00 0.02 H new ATOM 635 N VAL A 41 -10.745 -5.951 -1.552 1.00 0.02 N ATOM 636 CA VAL A 41 -10.042 -6.350 -2.812 1.00 0.01 C ATOM 637 C VAL A 41 -10.144 -7.870 -2.915 1.00 0.02 C ATOM 638 O VAL A 41 -9.632 -8.589 -2.079 1.00 0.02 O ATOM 639 CB VAL A 41 -8.580 -5.910 -2.761 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.901 -6.250 -4.091 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.524 -4.397 -2.547 1.00 0.00 C ATOM 0 H VAL A 41 -10.246 -6.174 -0.691 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.495 -5.875 -3.682 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.070 -6.423 -1.946 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.857 -5.937 -4.057 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.952 -7.325 -4.261 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.410 -5.730 -4.903 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.484 -4.073 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.031 -3.894 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.017 -4.144 -1.609 1.00 0.00 H new ATOM 651 N GLU A 42 -10.831 -8.359 -3.912 1.00 0.01 N ATOM 652 CA GLU A 42 -11.007 -9.834 -4.046 1.00 0.01 C ATOM 653 C GLU A 42 -9.802 -10.469 -4.736 1.00 0.02 C ATOM 654 O GLU A 42 -9.433 -11.587 -4.438 1.00 0.01 O ATOM 655 CB GLU A 42 -12.272 -10.121 -4.857 1.00 0.99 C ATOM 656 CG GLU A 42 -12.648 -11.596 -4.712 1.00 1.86 C ATOM 657 CD GLU A 42 -13.186 -11.851 -3.303 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.006 -11.067 -2.851 1.00 3.67 O ATOM 659 OE2 GLU A 42 -12.769 -12.826 -2.700 1.00 3.81 O ATOM 0 H GLU A 42 -11.278 -7.801 -4.639 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.097 -10.265 -3.049 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.090 -9.490 -4.509 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.106 -9.879 -5.907 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.400 -11.865 -5.454 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -11.777 -12.224 -4.899 1.00 1.86 H new ATOM 666 N GLY A 43 -9.180 -9.790 -5.658 1.00 0.01 N ATOM 667 CA GLY A 43 -8.011 -10.408 -6.340 1.00 0.02 C ATOM 668 C GLY A 43 -7.191 -9.352 -7.077 1.00 0.02 C ATOM 669 O GLY A 43 -7.710 -8.343 -7.512 1.00 0.02 O ATOM 0 H GLY A 43 -9.425 -8.849 -5.965 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.384 -10.916 -5.607 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.354 -11.165 -7.045 1.00 0.02 H new ATOM 673 N GLY A 44 -5.919 -9.582 -7.243 1.00 0.00 N ATOM 674 CA GLY A 44 -5.080 -8.592 -7.976 1.00 0.01 C ATOM 675 C GLY A 44 -4.627 -7.475 -7.034 1.00 0.01 C ATOM 676 O GLY A 44 -5.069 -7.378 -5.907 1.00 0.01 O ATOM 0 H GLY A 44 -5.425 -10.408 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.210 -9.090 -8.405 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.647 -8.169 -8.806 1.00 0.01 H new ATOM 680 N THR A 45 -3.770 -6.611 -7.518 1.00 0.01 N ATOM 681 CA THR A 45 -3.291 -5.451 -6.697 1.00 0.00 C ATOM 682 C THR A 45 -3.685 -4.163 -7.422 1.00 0.01 C ATOM 683 O THR A 45 -3.574 -4.077 -8.629 1.00 0.01 O ATOM 684 CB THR A 45 -1.767 -5.517 -6.555 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.408 -6.691 -5.841 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.268 -4.285 -5.798 1.00 1.48 C ATOM 0 H THR A 45 -3.376 -6.659 -8.458 1.00 0.01 H new ATOM 0 HA THR A 45 -3.738 -5.478 -5.703 1.00 0.00 H new ATOM 0 HB THR A 45 -1.312 -5.541 -7.545 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.433 -6.734 -5.752 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.184 -4.334 -5.698 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.541 -3.385 -6.348 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.723 -4.257 -4.808 1.00 1.48 H new ATOM 694 N TRP A 46 -4.212 -3.185 -6.717 1.00 0.02 N ATOM 695 CA TRP A 46 -4.681 -1.931 -7.400 1.00 0.01 C ATOM 696 C TRP A 46 -4.081 -0.672 -6.771 1.00 0.01 C ATOM 697 O TRP A 46 -3.735 -0.622 -5.608 1.00 0.01 O ATOM 698 CB TRP A 46 -6.202 -1.849 -7.282 1.00 0.00 C ATOM 699 CG TRP A 46 -6.825 -3.000 -8.003 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.715 -4.298 -7.640 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.652 -2.979 -9.201 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.420 -5.076 -8.541 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.016 -4.309 -9.522 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.117 -1.944 -10.034 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.814 -4.602 -10.628 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.919 -2.236 -11.148 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.266 -3.562 -11.445 1.00 0.01 C ATOM 0 H TRP A 46 -4.337 -3.200 -5.705 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.359 -1.978 -8.440 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.496 -1.862 -6.233 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.559 -0.908 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.166 -4.667 -6.786 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.491 -6.092 -8.487 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.855 -0.919 -9.815 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.080 -5.625 -10.851 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.271 -1.435 -11.781 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.882 -3.779 -12.305 1.00 0.01 H new ATOM 718 N ALA A 47 -4.029 0.368 -7.561 1.00 0.01 N ATOM 719 CA ALA A 47 -3.543 1.695 -7.085 1.00 0.01 C ATOM 720 C ALA A 47 -4.780 2.590 -7.036 1.00 0.01 C ATOM 721 O ALA A 47 -5.560 2.618 -7.965 1.00 0.01 O ATOM 722 CB ALA A 47 -2.513 2.261 -8.067 1.00 0.24 C ATOM 0 H ALA A 47 -4.311 0.351 -8.541 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.057 1.626 -6.112 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.164 3.230 -7.710 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.668 1.577 -8.142 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.973 2.379 -9.048 1.00 0.24 H new ATOM 728 N VAL A 48 -4.953 3.338 -5.971 1.00 0.01 N ATOM 729 CA VAL A 48 -6.132 4.259 -5.868 1.00 0.02 C ATOM 730 C VAL A 48 -5.640 5.705 -5.808 1.00 0.01 C ATOM 731 O VAL A 48 -4.630 5.993 -5.196 1.00 0.01 O ATOM 732 CB VAL A 48 -6.945 3.934 -4.613 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.500 2.512 -4.717 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.045 4.043 -3.381 1.00 0.65 C ATOM 0 H VAL A 48 -4.327 3.350 -5.166 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.770 4.127 -6.742 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.771 4.639 -4.523 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.079 2.281 -3.823 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.142 2.435 -5.595 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.675 1.805 -4.808 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.623 3.812 -2.486 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.218 3.338 -3.471 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.651 5.057 -3.307 1.00 0.65 H new ATOM 744 N TYR A 49 -6.343 6.615 -6.445 1.00 0.01 N ATOM 745 CA TYR A 49 -5.919 8.052 -6.439 1.00 0.01 C ATOM 746 C TYR A 49 -7.028 8.909 -5.828 1.00 0.01 C ATOM 747 O TYR A 49 -8.208 8.650 -5.988 1.00 0.02 O ATOM 748 CB TYR A 49 -5.646 8.505 -7.873 1.00 0.01 C ATOM 749 CG TYR A 49 -4.419 7.796 -8.398 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.476 6.428 -8.690 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.228 8.505 -8.596 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.341 5.769 -9.177 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.093 7.847 -9.083 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.150 6.479 -9.375 1.00 0.02 C ATOM 755 OH TYR A 49 -1.031 5.828 -9.856 1.00 0.01 O ATOM 0 H TYR A 49 -7.196 6.422 -6.971 1.00 0.01 H new ATOM 0 HA TYR A 49 -5.012 8.164 -5.846 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.506 8.284 -8.506 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.497 9.584 -7.903 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.395 5.881 -8.540 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.185 9.561 -8.373 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.384 4.713 -9.400 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.174 8.394 -9.233 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.291 6.465 -9.936 1.00 0.01 H new ATOM 765 N GLU A 50 -6.628 9.913 -5.094 1.00 0.01 N ATOM 766 CA GLU A 50 -7.601 10.799 -4.393 1.00 0.01 C ATOM 767 C GLU A 50 -8.455 11.595 -5.381 1.00 0.01 C ATOM 768 O GLU A 50 -9.600 11.887 -5.100 1.00 0.02 O ATOM 769 CB GLU A 50 -6.815 11.770 -3.512 1.00 0.02 C ATOM 770 CG GLU A 50 -7.783 12.543 -2.613 1.00 0.01 C ATOM 771 CD GLU A 50 -6.993 13.410 -1.631 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.251 14.263 -2.089 1.00 0.02 O ATOM 773 OE2 GLU A 50 -7.142 13.207 -0.437 1.00 0.01 O ATOM 0 H GLU A 50 -5.649 10.160 -4.949 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.272 10.180 -3.798 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -6.095 11.224 -2.903 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.247 12.463 -4.133 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.438 13.168 -3.220 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.422 11.848 -2.067 1.00 0.01 H new ATOM 780 N ARG A 51 -7.919 11.976 -6.520 1.00 0.02 N ATOM 781 CA ARG A 51 -8.724 12.786 -7.497 1.00 0.02 C ATOM 782 C ARG A 51 -8.733 12.075 -8.866 1.00 0.01 C ATOM 783 O ARG A 51 -7.860 11.274 -9.151 1.00 0.02 O ATOM 784 CB ARG A 51 -8.056 14.177 -7.629 1.00 0.02 C ATOM 785 CG ARG A 51 -8.736 15.182 -6.690 1.00 0.01 C ATOM 786 CD ARG A 51 -8.098 16.562 -6.869 1.00 0.02 C ATOM 787 NE ARG A 51 -6.632 16.466 -6.625 1.00 0.02 N ATOM 788 CZ ARG A 51 -5.844 17.434 -7.008 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.342 18.484 -7.602 1.00 0.02 N ATOM 790 NH2 ARG A 51 -4.560 17.350 -6.796 1.00 0.01 N ATOM 0 H ARG A 51 -6.966 11.763 -6.814 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.752 12.895 -7.152 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.995 14.104 -7.389 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -8.126 14.526 -8.659 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.803 15.232 -6.906 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.635 14.855 -5.655 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -8.286 16.934 -7.876 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -8.547 17.275 -6.177 1.00 0.02 H new ATOM 0 HE ARG A 51 -6.244 15.645 -6.159 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -7.347 18.548 -7.767 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -5.727 19.240 -7.901 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -4.172 16.529 -6.331 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -3.943 18.106 -7.095 1.00 0.01 H new ATOM 804 N PRO A 52 -9.718 12.367 -9.705 1.00 0.02 N ATOM 805 CA PRO A 52 -9.821 11.726 -11.049 1.00 0.02 C ATOM 806 C PRO A 52 -8.533 11.863 -11.868 1.00 0.01 C ATOM 807 O PRO A 52 -7.651 12.640 -11.567 1.00 0.02 O ATOM 808 CB PRO A 52 -10.998 12.488 -11.703 1.00 0.02 C ATOM 809 CG PRO A 52 -11.461 13.595 -10.737 1.00 0.01 C ATOM 810 CD PRO A 52 -10.797 13.349 -9.375 1.00 0.01 C ATOM 0 HA PRO A 52 -9.979 10.649 -10.989 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.687 12.921 -12.654 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.819 11.804 -11.917 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -11.185 14.576 -11.123 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.546 13.585 -10.639 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.392 14.268 -8.951 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.502 12.946 -8.648 1.00 0.01 H new ATOM 818 N ASN A 53 -8.468 11.112 -12.933 1.00 0.02 N ATOM 819 CA ASN A 53 -7.295 11.169 -13.847 1.00 0.02 C ATOM 820 C ASN A 53 -6.017 10.731 -13.136 1.00 0.01 C ATOM 821 O ASN A 53 -4.941 11.236 -13.389 1.00 0.01 O ATOM 822 CB ASN A 53 -7.137 12.600 -14.375 1.00 0.01 C ATOM 823 CG ASN A 53 -6.251 12.597 -15.624 1.00 0.02 C ATOM 824 OD1 ASN A 53 -6.772 12.920 -16.777 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 -5.077 12.296 -15.551 1.00 0.01 N flip ATOM 0 H ASN A 53 -9.192 10.450 -13.212 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.466 10.483 -14.677 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -8.114 13.020 -14.612 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.696 13.234 -13.606 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -4.670 12.044 -14.650 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -4.498 12.295 -16.390 1.00 0.01 H new ATOM 832 N PHE A 54 -6.135 9.765 -12.261 1.00 0.02 N ATOM 833 CA PHE A 54 -4.945 9.244 -11.537 1.00 0.01 C ATOM 834 C PHE A 54 -4.075 10.394 -11.029 1.00 0.01 C ATOM 835 O PHE A 54 -2.882 10.438 -11.251 1.00 0.02 O ATOM 836 CB PHE A 54 -4.138 8.346 -12.486 1.00 1.78 C ATOM 837 CG PHE A 54 -5.090 7.573 -13.376 1.00 2.32 C ATOM 838 CD1 PHE A 54 -6.005 6.677 -12.807 1.00 2.53 C ATOM 839 CD2 PHE A 54 -5.063 7.755 -14.767 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.888 5.964 -13.626 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.948 7.040 -15.585 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.861 6.145 -15.013 1.00 3.39 C ATOM 0 H PHE A 54 -7.016 9.313 -12.017 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.274 8.665 -10.674 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.465 8.951 -13.093 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.517 7.657 -11.913 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.029 6.537 -11.736 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.360 8.446 -15.207 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.592 5.273 -13.186 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.926 7.179 -16.656 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.544 5.595 -15.643 1.00 3.39 H new ATOM 852 N SER A 55 -4.687 11.330 -10.343 1.00 0.02 N ATOM 853 CA SER A 55 -3.932 12.506 -9.794 1.00 0.02 C ATOM 854 C SER A 55 -4.177 12.622 -8.286 1.00 0.01 C ATOM 855 O SER A 55 -5.092 12.028 -7.749 1.00 0.01 O ATOM 856 CB SER A 55 -4.417 13.783 -10.482 1.00 1.90 C ATOM 857 OG SER A 55 -4.424 13.585 -11.890 1.00 2.33 O ATOM 0 H SER A 55 -5.686 11.331 -10.137 1.00 0.02 H new ATOM 0 HA SER A 55 -2.867 12.367 -9.978 1.00 0.02 H new ATOM 0 HB2 SER A 55 -5.418 14.039 -10.134 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.766 14.618 -10.224 1.00 1.90 H new ATOM 0 HG SER A 55 -4.736 14.401 -12.334 1.00 2.33 H new ATOM 863 N GLY A 56 -3.356 13.371 -7.594 1.00 0.02 N ATOM 864 CA GLY A 56 -3.524 13.515 -6.118 1.00 0.02 C ATOM 865 C GLY A 56 -2.753 12.405 -5.396 1.00 0.02 C ATOM 866 O GLY A 56 -1.860 11.800 -5.956 1.00 0.00 O ATOM 0 H GLY A 56 -2.573 13.891 -7.991 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -3.162 14.491 -5.795 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.581 13.465 -5.857 1.00 0.02 H new ATOM 870 N HIS A 57 -3.068 12.147 -4.155 1.00 0.02 N ATOM 871 CA HIS A 57 -2.325 11.094 -3.400 1.00 0.02 C ATOM 872 C HIS A 57 -2.578 9.718 -4.023 1.00 0.01 C ATOM 873 O HIS A 57 -3.692 9.390 -4.377 1.00 0.01 O ATOM 874 CB HIS A 57 -2.793 11.093 -1.940 1.00 0.00 C ATOM 875 CG HIS A 57 -2.953 12.509 -1.465 1.00 0.01 C ATOM 876 ND1 HIS A 57 -4.184 13.031 -1.097 1.00 0.01 N ATOM 877 CD2 HIS A 57 -2.048 13.528 -1.291 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.989 14.310 -0.726 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.704 14.662 -0.826 1.00 0.01 N ATOM 0 H HIS A 57 -3.806 12.618 -3.631 1.00 0.02 H new ATOM 0 HA HIS A 57 -1.257 11.308 -3.444 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.739 10.559 -1.850 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.070 10.568 -1.315 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.988 13.459 -1.486 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -4.774 14.970 -0.389 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -2.292 15.569 -0.608 1.00 0.01 H new ATOM 887 N MET A 58 -1.545 8.908 -4.144 1.00 0.02 N ATOM 888 CA MET A 58 -1.701 7.536 -4.733 1.00 0.02 C ATOM 889 C MET A 58 -1.309 6.482 -3.690 1.00 0.01 C ATOM 890 O MET A 58 -0.335 6.628 -2.979 1.00 0.01 O ATOM 891 CB MET A 58 -0.784 7.407 -5.956 1.00 2.61 C ATOM 892 CG MET A 58 0.679 7.641 -5.551 1.00 3.46 C ATOM 893 SD MET A 58 1.401 6.085 -4.975 1.00 4.50 S ATOM 894 CE MET A 58 2.083 5.545 -6.563 1.00 5.01 C ATOM 0 H MET A 58 -0.595 9.143 -3.857 1.00 0.02 H new ATOM 0 HA MET A 58 -2.738 7.381 -5.031 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.892 6.416 -6.398 1.00 2.61 H new ATOM 0 HB3 MET A 58 -1.078 8.129 -6.717 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.245 8.025 -6.399 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.734 8.393 -4.764 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.584 4.585 -6.436 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.276 5.441 -7.289 1.00 5.01 H new ATOM 0 HE3 MET A 58 2.800 6.284 -6.921 1.00 5.01 H new ATOM 904 N TYR A 59 -2.074 5.423 -3.594 1.00 0.02 N ATOM 905 CA TYR A 59 -1.778 4.338 -2.599 1.00 0.01 C ATOM 906 C TYR A 59 -1.930 2.968 -3.271 1.00 0.01 C ATOM 907 O TYR A 59 -2.829 2.741 -4.057 1.00 0.02 O ATOM 908 CB TYR A 59 -2.768 4.426 -1.440 1.00 0.01 C ATOM 909 CG TYR A 59 -2.449 5.641 -0.602 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.505 5.550 0.427 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.095 6.858 -0.855 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.205 6.675 1.203 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.795 7.982 -0.077 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.852 7.891 0.951 1.00 0.01 C ATOM 915 OH TYR A 59 -1.553 9.002 1.711 1.00 0.01 O ATOM 0 H TYR A 59 -2.901 5.259 -4.168 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.759 4.460 -2.231 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.787 4.490 -1.821 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.712 3.524 -0.830 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.008 4.611 0.622 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.823 6.929 -1.649 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.475 6.606 1.996 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.293 8.921 -0.271 1.00 0.01 H new ATOM 0 HH TYR A 59 -1.897 9.805 1.266 1.00 0.01 H new ATOM 925 N ILE A 60 -1.049 2.050 -2.950 1.00 0.02 N ATOM 926 CA ILE A 60 -1.111 0.675 -3.538 1.00 0.01 C ATOM 927 C ILE A 60 -1.869 -0.250 -2.577 1.00 0.01 C ATOM 928 O ILE A 60 -1.607 -0.261 -1.390 1.00 0.01 O ATOM 929 CB ILE A 60 0.313 0.148 -3.738 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.175 1.225 -4.414 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.282 -1.105 -4.615 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.467 1.755 -5.666 1.00 1.72 C ATOM 0 H ILE A 60 -0.280 2.198 -2.297 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.626 0.706 -4.498 1.00 0.01 H new ATOM 0 HB ILE A 60 0.741 -0.101 -2.767 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.361 2.043 -3.718 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.146 0.809 -4.684 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.297 -1.477 -4.755 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.322 -1.873 -4.131 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.151 -0.860 -5.585 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.086 2.518 -6.138 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.304 0.936 -6.366 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.493 2.189 -5.385 1.00 1.72 H new ATOM 944 N LEU A 61 -2.831 -1.001 -3.072 1.00 0.01 N ATOM 945 CA LEU A 61 -3.638 -1.901 -2.177 1.00 0.01 C ATOM 946 C LEU A 61 -3.516 -3.381 -2.631 1.00 0.01 C ATOM 947 O LEU A 61 -4.044 -3.739 -3.667 1.00 0.00 O ATOM 948 CB LEU A 61 -5.125 -1.455 -2.266 1.00 0.01 C ATOM 949 CG LEU A 61 -5.620 -0.907 -0.915 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.953 -0.188 -1.119 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.821 -2.056 0.081 1.00 0.01 C ATOM 0 H LEU A 61 -3.092 -1.029 -4.058 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.269 -1.827 -1.154 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.233 -0.689 -3.034 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.744 -2.300 -2.568 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.876 -0.215 -0.521 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.306 0.201 -0.164 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.818 0.636 -1.819 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.686 -0.888 -1.519 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.171 -1.656 1.032 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.560 -2.754 -0.313 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.875 -2.576 0.232 1.00 0.01 H new ATOM 963 N PRO A 62 -2.867 -4.255 -1.871 1.00 0.02 N ATOM 964 CA PRO A 62 -2.791 -5.690 -2.270 1.00 0.01 C ATOM 965 C PRO A 62 -4.118 -6.402 -1.962 1.00 0.00 C ATOM 966 O PRO A 62 -4.977 -5.861 -1.296 1.00 0.02 O ATOM 967 CB PRO A 62 -1.644 -6.214 -1.391 1.00 1.47 C ATOM 968 CG PRO A 62 -1.442 -5.217 -0.235 1.00 1.29 C ATOM 969 CD PRO A 62 -2.161 -3.903 -0.599 1.00 0.82 C ATOM 0 HA PRO A 62 -2.619 -5.852 -3.334 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.882 -7.205 -1.004 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.729 -6.311 -1.975 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.843 -5.625 0.693 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.380 -5.036 -0.071 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.859 -3.594 0.179 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.458 -3.082 -0.740 1.00 0.82 H new ATOM 977 N GLN A 63 -4.299 -7.602 -2.446 1.00 0.02 N ATOM 978 CA GLN A 63 -5.576 -8.328 -2.181 1.00 0.00 C ATOM 979 C GLN A 63 -5.861 -8.374 -0.676 1.00 0.00 C ATOM 980 O GLN A 63 -4.960 -8.537 0.123 1.00 0.02 O ATOM 981 CB GLN A 63 -5.462 -9.756 -2.717 1.00 1.27 C ATOM 982 CG GLN A 63 -5.080 -9.715 -4.197 1.00 1.67 C ATOM 983 CD GLN A 63 -4.821 -11.137 -4.699 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.181 -11.313 -5.820 1.00 4.25 O flip ATOM 985 NE2 GLN A 63 -5.206 -12.098 -4.062 1.00 3.04 N flip ATOM 0 H GLN A 63 -3.620 -8.110 -3.012 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.392 -7.805 -2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.712 -10.309 -2.152 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.409 -10.281 -2.589 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -5.879 -9.254 -4.777 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.190 -9.101 -4.337 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -5.707 -11.961 -3.184 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -5.028 -13.042 -4.405 1.00 3.04 H new ATOM 994 N GLY A 64 -7.102 -8.237 -0.274 1.00 0.02 N ATOM 995 CA GLY A 64 -7.412 -8.284 1.186 1.00 0.01 C ATOM 996 C GLY A 64 -8.705 -7.518 1.492 1.00 0.02 C ATOM 997 O GLY A 64 -9.371 -7.007 0.612 1.00 0.02 O ATOM 0 H GLY A 64 -7.904 -8.096 -0.888 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.513 -9.320 1.508 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.586 -7.853 1.752 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.063 -7.445 2.751 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.314 -6.726 3.164 1.00 0.02 C ATOM 1003 C GLU A 65 -9.960 -5.585 4.123 1.00 0.02 C ATOM 1004 O GLU A 65 -9.239 -5.767 5.086 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.238 -7.718 3.878 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.445 -6.977 4.455 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.513 -7.991 4.873 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.280 -8.700 5.838 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.544 -8.040 4.223 1.00 0.71 O ATOM 0 H GLU A 65 -8.536 -7.858 3.521 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.811 -6.315 2.285 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.571 -8.486 3.180 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.695 -8.225 4.676 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.141 -6.378 5.313 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -12.852 -6.289 3.714 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.487 -4.410 3.866 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.227 -3.231 4.746 1.00 0.02 C ATOM 1018 C TYR A 66 -11.587 -2.702 5.250 1.00 0.02 C ATOM 1019 O TYR A 66 -12.256 -1.979 4.534 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.536 -2.152 3.912 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.219 -2.693 3.406 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.195 -3.568 2.312 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.022 -2.330 4.036 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -6.975 -4.077 1.849 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.803 -2.840 3.573 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.780 -3.713 2.480 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.579 -4.217 2.025 1.00 0.01 O ATOM 0 H TYR A 66 -11.096 -4.218 3.070 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.596 -3.502 5.592 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.170 -1.859 3.075 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.370 -1.259 4.514 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.117 -3.850 1.826 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.039 -1.656 4.880 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.956 -4.750 1.005 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.881 -2.559 4.060 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.847 -3.864 2.573 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.018 -3.063 6.448 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.341 -2.593 6.957 1.00 0.02 C ATOM 1039 C PRO A 67 -13.392 -1.087 7.261 1.00 0.02 C ATOM 1040 O PRO A 67 -14.433 -0.565 7.605 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.536 -3.436 8.236 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.244 -4.240 8.500 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.247 -3.957 7.360 1.00 0.01 C ATOM 0 HA PRO A 67 -14.128 -2.722 6.214 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.759 -2.789 9.085 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.384 -4.111 8.118 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.812 -3.957 9.460 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.466 -5.306 8.553 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.342 -3.474 7.727 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.938 -4.874 6.858 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.307 -0.372 7.123 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.354 1.094 7.398 1.00 0.01 C ATOM 1053 C GLU A 68 -11.194 1.759 6.655 1.00 0.03 C ATOM 1054 O GLU A 68 -10.207 1.137 6.321 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.204 1.359 8.901 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.462 0.897 9.644 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.468 1.487 11.056 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.475 2.091 11.429 1.00 2.02 O ATOM 1059 OE2 GLU A 68 -14.467 1.327 11.738 1.00 1.55 O ATOM 0 H GLU A 68 -11.398 -0.735 6.835 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.310 1.498 7.064 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.331 0.832 9.286 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -12.038 2.422 9.076 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.354 1.213 9.103 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.489 -0.192 9.693 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.341 3.020 6.357 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.292 3.737 5.580 1.00 0.02 C ATOM 1068 C TYR A 69 -8.942 3.747 6.306 1.00 0.01 C ATOM 1069 O TYR A 69 -7.901 3.618 5.694 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.762 5.165 5.285 1.00 0.02 C ATOM 1071 CG TYR A 69 -11.001 5.905 6.581 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.207 5.733 7.274 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -10.021 6.767 7.087 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.427 6.419 8.475 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.243 7.454 8.287 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.447 7.281 8.979 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.664 7.956 10.162 1.00 0.01 O ATOM 0 H TYR A 69 -12.147 3.587 6.620 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.140 3.203 4.642 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.013 5.688 4.690 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.678 5.141 4.695 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.966 5.072 6.882 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.093 6.902 6.552 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.354 6.283 9.012 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.485 8.117 8.678 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.884 8.511 10.370 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.946 3.911 7.602 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.662 3.930 8.361 1.00 0.02 C ATOM 1089 C GLN A 70 -6.917 2.601 8.181 1.00 0.01 C ATOM 1090 O GLN A 70 -5.713 2.521 8.328 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.962 4.133 9.847 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.814 5.389 10.031 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.992 5.673 11.524 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -8.284 6.482 12.088 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.916 5.038 12.191 1.00 0.02 N ATOM 0 H GLN A 70 -9.785 4.033 8.169 1.00 0.01 H new ATOM 0 HA GLN A 70 -7.040 4.742 7.985 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.486 3.264 10.245 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -7.031 4.227 10.407 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.337 6.239 9.543 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.786 5.254 9.558 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -10.511 4.358 11.717 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -10.044 5.221 13.186 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.638 1.559 7.857 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.990 0.231 7.657 1.00 0.02 C ATOM 1106 C ARG A 71 -6.152 0.277 6.380 1.00 0.01 C ATOM 1107 O ARG A 71 -5.271 -0.533 6.165 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.063 -0.857 7.532 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.947 -0.873 8.792 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.280 -1.703 9.896 1.00 1.04 C ATOM 1111 NE ARG A 71 -8.035 -3.087 9.400 1.00 1.67 N ATOM 1112 CZ ARG A 71 -7.218 -3.874 10.045 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -6.615 -3.445 11.121 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -7.003 -5.086 9.616 1.00 3.42 N ATOM 0 H ARG A 71 -8.649 1.572 7.722 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.352 0.001 8.510 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.677 -0.674 6.650 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.591 -1.830 7.396 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.112 0.146 9.142 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.925 -1.291 8.554 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.339 -1.241 10.195 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -8.917 -1.730 10.780 1.00 1.04 H new ATOM 0 HE ARG A 71 -8.505 -3.418 8.558 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -6.783 -2.496 11.456 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -5.976 -4.059 11.627 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -7.474 -5.420 8.775 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -6.364 -5.700 10.121 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.432 1.232 5.538 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.687 1.387 4.253 1.00 0.01 C ATOM 1130 C TRP A 72 -4.788 2.624 4.388 1.00 0.01 C ATOM 1131 O TRP A 72 -4.208 3.104 3.436 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.736 1.544 3.127 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.243 2.409 2.008 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.190 2.129 1.208 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.777 3.685 1.553 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.045 3.153 0.290 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -5.999 4.136 0.463 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.852 4.486 1.978 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.277 5.340 -0.183 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.135 5.699 1.329 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.347 6.125 0.251 1.00 0.02 C ATOM 0 H TRP A 72 -7.162 1.928 5.689 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.056 0.530 4.018 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.996 0.560 2.736 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.648 1.974 3.541 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.565 1.251 1.275 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.321 3.179 -0.428 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.464 4.166 2.809 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.668 5.664 -1.014 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -8.964 6.306 1.662 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.567 7.060 -0.243 1.00 0.02 H new ATOM 1152 N MET A 73 -4.674 3.129 5.584 1.00 0.02 N ATOM 1153 CA MET A 73 -3.824 4.330 5.827 1.00 0.02 C ATOM 1154 C MET A 73 -4.346 5.527 5.021 1.00 0.01 C ATOM 1155 O MET A 73 -3.627 6.464 4.740 1.00 0.02 O ATOM 1156 CB MET A 73 -2.377 4.030 5.419 1.00 0.02 C ATOM 1157 CG MET A 73 -1.986 2.629 5.892 1.00 0.01 C ATOM 1158 SD MET A 73 -0.184 2.462 5.855 1.00 0.01 S ATOM 1159 CE MET A 73 -0.126 0.658 5.736 1.00 0.01 C ATOM 0 H MET A 73 -5.138 2.758 6.413 1.00 0.02 H new ATOM 0 HA MET A 73 -3.862 4.576 6.888 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.273 4.101 4.336 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.706 4.771 5.853 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.357 2.458 6.902 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.445 1.876 5.252 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.913 0.329 5.699 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.615 0.220 6.606 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.641 0.336 4.831 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.601 5.494 4.653 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.180 6.620 3.869 1.00 0.02 C ATOM 1171 C GLY A 74 -6.085 7.910 4.680 1.00 0.01 C ATOM 1172 O GLY A 74 -6.263 7.914 5.882 1.00 0.01 O ATOM 0 H GLY A 74 -6.248 4.734 4.863 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.646 6.732 2.925 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.221 6.408 3.624 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.849 9.017 4.028 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.798 10.311 4.767 1.00 0.02 C ATOM 1178 C LEU A 75 -7.244 10.768 5.009 1.00 0.01 C ATOM 1179 O LEU A 75 -7.548 11.408 5.995 1.00 0.02 O ATOM 1180 CB LEU A 75 -5.032 11.356 3.938 1.00 0.55 C ATOM 1181 CG LEU A 75 -3.525 11.213 4.183 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.095 9.770 3.921 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -2.763 12.149 3.242 1.00 0.42 C ATOM 0 H LEU A 75 -5.690 9.081 3.022 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.280 10.193 5.718 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.251 11.224 2.878 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.360 12.360 4.209 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.302 11.475 5.217 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -2.024 9.672 4.096 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.635 9.102 4.592 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -3.319 9.505 2.888 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -1.692 12.047 3.416 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.989 11.888 2.208 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -3.065 13.179 3.431 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.138 10.409 4.122 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.575 10.762 4.267 1.00 0.02 C ATOM 1197 C ASN A 76 -10.356 9.737 3.440 1.00 0.02 C ATOM 1198 O ASN A 76 -9.791 8.766 2.978 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.824 12.178 3.741 1.00 0.02 C ATOM 1200 CG ASN A 76 -11.215 12.647 4.173 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -12.094 12.815 3.351 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -11.453 12.865 5.437 1.00 0.02 N ATOM 0 H ASN A 76 -7.921 9.872 3.283 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.888 10.743 5.311 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.064 12.859 4.125 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.745 12.192 2.654 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -12.377 13.177 5.736 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -10.715 12.724 6.127 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.637 9.917 3.250 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.420 8.913 2.456 1.00 0.01 C ATOM 1211 C ASP A 77 -12.607 9.396 1.015 1.00 0.01 C ATOM 1212 O ASP A 77 -13.586 9.063 0.375 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.798 8.726 3.096 1.00 0.01 C ATOM 1214 CG ASP A 77 -14.465 10.091 3.284 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -13.768 11.088 3.179 1.00 0.02 O ATOM 1216 OD2 ASP A 77 -15.662 10.116 3.527 1.00 0.01 O ATOM 0 H ASP A 77 -12.175 10.708 3.605 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.873 7.970 2.449 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.420 8.090 2.466 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.698 8.223 4.058 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.698 10.183 0.491 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.862 10.688 -0.911 1.00 0.01 C ATOM 1223 C ARG A 78 -11.082 9.818 -1.905 1.00 0.02 C ATOM 1224 O ARG A 78 -9.881 9.670 -1.812 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.366 12.134 -0.987 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.564 12.668 -2.406 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.338 14.182 -2.421 1.00 1.00 C ATOM 1228 NE ARG A 78 -11.695 14.725 -3.761 1.00 1.30 N ATOM 1229 CZ ARG A 78 -11.867 16.008 -3.919 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -11.720 16.814 -2.902 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -12.183 16.486 -5.090 1.00 3.20 N ATOM 0 H ARG A 78 -10.854 10.497 0.970 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.918 10.642 -1.177 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.910 12.754 -0.275 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -10.312 12.183 -0.712 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -10.869 12.180 -3.089 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.570 12.437 -2.755 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -11.944 14.658 -1.651 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -10.296 14.407 -2.191 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.805 14.094 -4.555 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -11.471 16.440 -1.986 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -11.854 17.818 -3.023 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -12.296 15.856 -5.884 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -12.317 17.490 -5.212 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.766 9.266 -2.874 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.098 8.423 -3.916 1.00 0.01 C ATOM 1247 C LEU A 79 -11.775 8.719 -5.254 1.00 0.01 C ATOM 1248 O LEU A 79 -12.970 8.555 -5.393 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.277 6.942 -3.573 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.408 6.582 -2.360 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.703 5.140 -1.942 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.910 6.733 -2.710 1.00 2.61 C ATOM 0 H LEU A 79 -12.775 9.364 -2.991 1.00 0.01 H new ATOM 0 HA LEU A 79 -10.032 8.647 -3.963 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.325 6.733 -3.356 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.999 6.325 -4.427 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.641 7.258 -1.537 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -10.089 4.878 -1.081 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.756 5.046 -1.679 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.474 4.467 -2.769 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.305 6.475 -1.841 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.661 6.067 -3.536 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.706 7.764 -3.000 1.00 2.61 H new ATOM 1264 N GLY A 80 -11.035 9.200 -6.228 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.650 9.562 -7.546 1.00 0.02 C ATOM 1266 C GLY A 80 -11.230 8.616 -8.678 1.00 0.02 C ATOM 1267 O GLY A 80 -11.882 8.569 -9.699 1.00 0.01 O ATOM 0 H GLY A 80 -10.029 9.357 -6.166 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.736 9.548 -7.451 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.366 10.582 -7.807 1.00 0.02 H new ATOM 1271 N SER A 81 -10.167 7.861 -8.549 1.00 0.01 N ATOM 1272 CA SER A 81 -9.788 6.960 -9.692 1.00 0.01 C ATOM 1273 C SER A 81 -8.954 5.777 -9.207 1.00 0.02 C ATOM 1274 O SER A 81 -8.312 5.826 -8.177 1.00 0.01 O ATOM 1275 CB SER A 81 -8.983 7.758 -10.716 1.00 0.01 C ATOM 1276 OG SER A 81 -8.359 6.858 -11.624 1.00 0.01 O ATOM 0 H SER A 81 -9.559 7.825 -7.731 1.00 0.01 H new ATOM 0 HA SER A 81 -10.701 6.575 -10.145 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.636 8.443 -11.256 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.231 8.365 -10.212 1.00 0.01 H new ATOM 0 HG SER A 81 -7.507 7.237 -11.927 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.957 4.700 -9.960 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.163 3.496 -9.559 1.00 0.01 C ATOM 1284 C CYS A 82 -7.624 2.765 -10.795 1.00 0.01 C ATOM 1285 O CYS A 82 -8.237 2.753 -11.843 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.047 2.543 -8.755 1.00 0.01 C ATOM 1287 SG CYS A 82 -8.006 1.328 -7.911 1.00 0.02 S ATOM 0 H CYS A 82 -9.475 4.605 -10.834 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.321 3.825 -8.950 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.636 3.102 -8.028 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.752 2.038 -9.416 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.761 1.693 -7.991 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.480 2.141 -10.664 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.877 1.388 -11.812 1.00 0.01 C ATOM 1295 C ARG A 83 -5.303 0.064 -11.304 1.00 0.01 C ATOM 1296 O ARG A 83 -4.768 -0.020 -10.217 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.726 2.198 -12.413 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.266 3.484 -13.040 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.151 4.170 -13.831 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.624 3.232 -14.863 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.877 3.682 -15.835 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.592 4.955 -15.903 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -2.414 2.860 -16.738 1.00 0.01 N ATOM 0 H ARG A 83 -5.932 2.120 -9.804 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.648 1.211 -12.562 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -3.997 2.439 -11.640 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.208 1.605 -13.167 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.106 3.257 -13.696 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.640 4.151 -12.263 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.531 5.074 -14.306 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.349 4.476 -13.159 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.847 2.238 -14.810 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.953 5.597 -15.197 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -2.009 5.307 -16.662 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -2.636 1.866 -16.684 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -1.831 3.212 -17.497 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.416 -0.980 -12.084 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.883 -2.303 -11.649 1.00 0.01 C ATOM 1319 C ALA A 84 -3.365 -2.349 -11.857 1.00 0.01 C ATOM 1320 O ALA A 84 -2.856 -2.006 -12.904 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.535 -3.413 -12.478 1.00 0.43 C ATOM 0 H ALA A 84 -5.855 -0.972 -13.005 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.109 -2.447 -10.592 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.146 -4.380 -12.161 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.615 -3.390 -12.331 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.309 -3.260 -13.533 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.645 -2.793 -10.858 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.160 -2.894 -10.972 1.00 0.01 C ATOM 1329 C VAL A 85 -0.790 -4.286 -11.489 1.00 0.01 C ATOM 1330 O VAL A 85 -1.172 -5.285 -10.911 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.527 -2.674 -9.596 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.989 -2.542 -9.743 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.092 -1.392 -8.978 1.00 1.12 C ATOM 0 H VAL A 85 -3.027 -3.092 -9.961 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.792 -2.136 -11.664 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.755 -3.523 -8.952 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.437 -2.385 -8.762 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.392 -3.453 -10.185 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.220 -1.693 -10.387 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.643 -1.232 -7.998 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.863 -0.545 -9.624 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.173 -1.485 -8.871 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.046 -4.374 -12.562 1.00 0.01 N ATOM 1344 CA HIS A 86 0.343 -5.716 -13.093 1.00 0.01 C ATOM 1345 C HIS A 86 1.710 -6.102 -12.524 1.00 0.01 C ATOM 1346 O HIS A 86 2.642 -5.326 -12.538 1.00 0.00 O ATOM 1347 CB HIS A 86 0.432 -5.654 -14.618 1.00 0.21 C ATOM 1348 CG HIS A 86 -0.951 -5.553 -15.198 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.961 -6.440 -14.860 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.507 -4.677 -16.097 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -3.062 -6.081 -15.545 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -2.840 -5.013 -16.315 1.00 1.71 N ATOM 0 H HIS A 86 0.308 -3.578 -13.092 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.402 -6.456 -12.801 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.029 -4.795 -14.923 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.934 -6.543 -15.000 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -0.989 -3.853 -16.564 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -4.010 -6.594 -15.480 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.504 -4.544 -16.931 1.00 1.71 H new ATOM 1360 N LEU A 87 1.830 -7.302 -12.019 1.00 0.01 N ATOM 1361 CA LEU A 87 3.130 -7.759 -11.439 1.00 0.01 C ATOM 1362 C LEU A 87 3.884 -8.561 -12.505 1.00 0.01 C ATOM 1363 O LEU A 87 3.301 -9.354 -13.219 1.00 0.01 O ATOM 1364 CB LEU A 87 2.844 -8.658 -10.216 1.00 0.67 C ATOM 1365 CG LEU A 87 1.564 -8.202 -9.505 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.352 -9.058 -8.255 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.688 -6.729 -9.098 1.00 1.34 C ATOM 0 H LEU A 87 1.078 -7.991 -11.983 1.00 0.01 H new ATOM 0 HA LEU A 87 3.731 -6.905 -11.127 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.741 -9.695 -10.535 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.685 -8.620 -9.524 1.00 0.67 H new ATOM 0 HG LEU A 87 0.716 -8.315 -10.180 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.443 -8.738 -7.745 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.258 -10.105 -8.543 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.204 -8.941 -7.585 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.775 -6.413 -8.594 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.536 -6.608 -8.423 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.842 -6.118 -9.987 1.00 1.34 H new ATOM 1379 N SER A 88 5.180 -8.376 -12.605 1.00 0.01 N ATOM 1380 CA SER A 88 5.996 -9.135 -13.603 1.00 0.01 C ATOM 1381 C SER A 88 6.921 -10.105 -12.867 1.00 0.01 C ATOM 1382 O SER A 88 7.677 -9.687 -12.012 1.00 0.01 O ATOM 1383 CB SER A 88 6.847 -8.163 -14.422 1.00 0.81 C ATOM 1384 OG SER A 88 7.973 -7.760 -13.653 1.00 1.08 O ATOM 0 H SER A 88 5.712 -7.723 -12.030 1.00 0.01 H new ATOM 0 HA SER A 88 5.329 -9.686 -14.267 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.175 -8.639 -15.346 1.00 0.81 H new ATOM 0 HB3 SER A 88 6.255 -7.293 -14.704 1.00 0.81 H new ATOM 0 HG SER A 88 8.643 -7.353 -14.242 1.00 1.08 H new ATOM 1390 N SER A 89 6.933 -11.371 -13.205 1.00 0.01 N ATOM 1391 CA SER A 89 7.886 -12.312 -12.533 1.00 0.01 C ATOM 1392 C SER A 89 9.007 -12.584 -13.536 1.00 0.01 C ATOM 1393 O SER A 89 9.237 -11.777 -14.416 1.00 0.01 O ATOM 1394 CB SER A 89 7.163 -13.615 -12.188 1.00 0.43 C ATOM 1395 OG SER A 89 6.154 -13.353 -11.222 1.00 1.26 O ATOM 0 H SER A 89 6.330 -11.792 -13.911 1.00 0.01 H new ATOM 0 HA SER A 89 8.281 -11.890 -11.609 1.00 0.01 H new ATOM 0 HB2 SER A 89 6.720 -14.046 -13.085 1.00 0.43 H new ATOM 0 HB3 SER A 89 7.873 -14.346 -11.800 1.00 0.43 H new ATOM 0 HG SER A 89 5.688 -14.187 -11.001 1.00 1.26 H new ATOM 1401 N GLY A 90 9.686 -13.704 -13.469 1.00 0.01 N ATOM 1402 CA GLY A 90 10.751 -13.989 -14.486 1.00 0.00 C ATOM 1403 C GLY A 90 12.011 -14.606 -13.870 1.00 0.00 C ATOM 1404 O GLY A 90 12.464 -15.645 -14.307 1.00 0.01 O ATOM 0 H GLY A 90 9.552 -14.427 -12.762 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.353 -14.666 -15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.017 -13.063 -14.996 1.00 0.00 H new ATOM 1408 N GLY A 91 12.591 -14.000 -12.864 1.00 0.00 N ATOM 1409 CA GLY A 91 13.814 -14.615 -12.273 1.00 0.00 C ATOM 1410 C GLY A 91 14.377 -13.773 -11.124 1.00 0.00 C ATOM 1411 O GLY A 91 13.881 -13.837 -10.019 1.00 0.01 O ATOM 0 H GLY A 91 12.279 -13.128 -12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.578 -15.615 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.574 -14.728 -13.046 1.00 0.00 H new ATOM 1415 N GLN A 92 15.423 -13.009 -11.355 1.00 1.80 N ATOM 1416 CA GLN A 92 16.031 -12.191 -10.249 1.00 2.31 C ATOM 1417 C GLN A 92 16.014 -10.702 -10.609 1.00 1.91 C ATOM 1418 O GLN A 92 16.602 -10.267 -11.581 1.00 2.31 O ATOM 1419 CB GLN A 92 17.469 -12.663 -10.025 1.00 2.11 C ATOM 1420 CG GLN A 92 18.069 -11.924 -8.827 1.00 2.86 C ATOM 1421 CD GLN A 92 19.462 -12.480 -8.528 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.598 -13.603 -8.089 1.00 3.99 O ATOM 1423 NE2 GLN A 92 20.509 -11.735 -8.748 1.00 4.43 N ATOM 0 H GLN A 92 15.882 -12.916 -12.261 1.00 1.80 H new ATOM 0 HA GLN A 92 15.450 -12.323 -9.336 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.486 -13.738 -9.848 1.00 2.11 H new ATOM 0 HB3 GLN A 92 18.067 -12.477 -10.917 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.130 -10.856 -9.038 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.425 -12.040 -7.955 1.00 2.86 H new ATOM 0 HE21 GLN A 92 20.395 -10.791 -9.117 1.00 4.43 H new ATOM 0 HE22 GLN A 92 21.442 -12.096 -8.551 1.00 4.43 H new ATOM 1432 N ALA A 93 15.330 -9.926 -9.810 1.00 0.01 N ATOM 1433 CA ALA A 93 15.255 -8.462 -10.084 1.00 0.01 C ATOM 1434 C ALA A 93 16.551 -7.788 -9.608 1.00 0.01 C ATOM 1435 O ALA A 93 16.991 -7.988 -8.493 1.00 0.01 O ATOM 1436 CB ALA A 93 14.056 -7.863 -9.340 1.00 2.99 C ATOM 0 H ALA A 93 14.822 -10.241 -8.983 1.00 0.01 H new ATOM 0 HA ALA A 93 15.133 -8.296 -11.154 1.00 0.01 H new ATOM 0 HB1 ALA A 93 14.001 -6.793 -9.540 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.139 -8.343 -9.681 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.174 -8.026 -8.269 1.00 2.99 H new ATOM 1442 N LYS A 94 17.168 -6.997 -10.453 1.00 0.00 N ATOM 1443 CA LYS A 94 18.445 -6.302 -10.076 1.00 0.01 C ATOM 1444 C LYS A 94 18.314 -4.808 -10.390 1.00 0.01 C ATOM 1445 O LYS A 94 17.713 -4.432 -11.376 1.00 0.01 O ATOM 1446 CB LYS A 94 19.585 -6.909 -10.900 1.00 2.49 C ATOM 1447 CG LYS A 94 20.906 -6.233 -10.523 1.00 3.43 C ATOM 1448 CD LYS A 94 22.081 -7.083 -11.019 1.00 4.11 C ATOM 1449 CE LYS A 94 22.013 -7.226 -12.542 1.00 5.23 C ATOM 1450 NZ LYS A 94 21.004 -8.263 -12.898 1.00 6.36 N ATOM 0 H LYS A 94 16.839 -6.800 -11.398 1.00 0.00 H new ATOM 0 HA LYS A 94 18.650 -6.426 -9.013 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.648 -7.982 -10.717 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.388 -6.778 -11.964 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.954 -5.237 -10.963 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.966 -6.108 -9.442 1.00 3.43 H new ATOM 0 HD2 LYS A 94 23.024 -6.619 -10.730 1.00 4.11 H new ATOM 0 HD3 LYS A 94 22.053 -8.067 -10.551 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.746 -6.272 -12.996 1.00 5.23 H new ATOM 0 HE3 LYS A 94 22.991 -7.504 -12.936 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 21.407 -8.911 -13.605 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 20.742 -8.799 -12.046 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 20.158 -7.804 -13.291 1.00 6.36 H new ATOM 1464 N ILE A 95 18.855 -3.951 -9.549 1.00 0.00 N ATOM 1465 CA ILE A 95 18.744 -2.471 -9.787 1.00 0.01 C ATOM 1466 C ILE A 95 20.129 -1.816 -9.711 1.00 0.01 C ATOM 1467 O ILE A 95 20.965 -2.185 -8.906 1.00 0.01 O ATOM 1468 CB ILE A 95 17.828 -1.868 -8.713 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.931 -0.339 -8.728 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.244 -2.389 -7.337 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.754 0.266 -7.958 1.00 1.09 C ATOM 0 H ILE A 95 19.369 -4.213 -8.708 1.00 0.00 H new ATOM 0 HA ILE A 95 18.329 -2.291 -10.779 1.00 0.01 H new ATOM 0 HB ILE A 95 16.799 -2.158 -8.922 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.873 -0.024 -8.278 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.931 0.025 -9.755 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.594 -1.961 -6.574 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.159 -3.476 -7.318 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.276 -2.102 -7.136 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.831 1.353 -7.971 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.818 -0.037 -8.427 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.774 -0.087 -6.927 1.00 1.09 H new ATOM 1483 N GLN A 96 20.347 -0.807 -10.525 1.00 0.01 N ATOM 1484 CA GLN A 96 21.641 -0.052 -10.502 1.00 0.01 C ATOM 1485 C GLN A 96 21.321 1.424 -10.240 1.00 0.01 C ATOM 1486 O GLN A 96 20.423 1.971 -10.850 1.00 0.00 O ATOM 1487 CB GLN A 96 22.366 -0.205 -11.842 1.00 0.53 C ATOM 1488 CG GLN A 96 21.375 -0.024 -12.986 1.00 0.82 C ATOM 1489 CD GLN A 96 22.113 -0.148 -14.320 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.126 0.867 -15.139 1.00 1.75 O flip ATOM 1491 NE2 GLN A 96 22.682 -1.179 -14.622 1.00 2.05 N flip ATOM 0 H GLN A 96 19.673 -0.471 -11.213 1.00 0.01 H new ATOM 0 HA GLN A 96 22.292 -0.442 -9.720 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.165 0.532 -11.920 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.832 -1.188 -11.904 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.587 -0.775 -12.922 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.893 0.951 -12.914 1.00 0.82 H new ATOM 0 HE21 GLN A 96 22.672 -1.973 -13.982 1.00 2.05 H new ATOM 0 HE22 GLN A 96 23.169 -1.250 -15.515 1.00 2.05 H new ATOM 1500 N VAL A 97 22.028 2.082 -9.349 1.00 0.01 N ATOM 1501 CA VAL A 97 21.739 3.530 -9.062 1.00 0.01 C ATOM 1502 C VAL A 97 23.004 4.371 -9.275 1.00 0.01 C ATOM 1503 O VAL A 97 24.108 3.922 -9.035 1.00 0.01 O ATOM 1504 CB VAL A 97 21.273 3.671 -7.610 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.928 2.964 -7.430 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.310 3.037 -6.682 1.00 1.03 C ATOM 0 H VAL A 97 22.793 1.680 -8.807 1.00 0.01 H new ATOM 0 HA VAL A 97 20.960 3.882 -9.738 1.00 0.01 H new ATOM 0 HB VAL A 97 21.160 4.727 -7.366 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.599 3.066 -6.396 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.189 3.414 -8.092 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.037 1.907 -7.674 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.981 3.136 -5.647 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.421 1.981 -6.928 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.268 3.542 -6.808 1.00 1.03 H new ATOM 1516 N PHE A 98 22.841 5.587 -9.758 1.00 0.01 N ATOM 1517 CA PHE A 98 24.023 6.476 -10.032 1.00 0.01 C ATOM 1518 C PHE A 98 23.947 7.768 -9.204 1.00 0.01 C ATOM 1519 O PHE A 98 22.892 8.323 -8.973 1.00 0.01 O ATOM 1520 CB PHE A 98 24.046 6.832 -11.519 1.00 0.25 C ATOM 1521 CG PHE A 98 24.272 5.577 -12.328 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.229 4.660 -12.503 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.525 5.330 -12.906 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.436 3.500 -13.254 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.732 4.168 -13.658 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.687 3.253 -13.832 1.00 0.69 C ATOM 0 H PHE A 98 21.935 6.003 -9.975 1.00 0.01 H new ATOM 0 HA PHE A 98 24.931 5.942 -9.754 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.105 7.300 -11.807 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.836 7.555 -11.720 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.264 4.849 -12.057 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.331 6.036 -12.771 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.630 2.793 -13.389 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.697 3.977 -14.104 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.846 2.356 -14.412 1.00 0.69 H new ATOM 1536 N GLU A 99 25.083 8.218 -8.735 1.00 0.01 N ATOM 1537 CA GLU A 99 25.130 9.447 -7.888 1.00 0.01 C ATOM 1538 C GLU A 99 24.759 10.708 -8.691 1.00 0.01 C ATOM 1539 O GLU A 99 24.201 11.638 -8.144 1.00 0.01 O ATOM 1540 CB GLU A 99 26.547 9.588 -7.297 1.00 0.01 C ATOM 1541 CG GLU A 99 26.808 11.021 -6.799 1.00 0.01 C ATOM 1542 CD GLU A 99 25.624 11.513 -5.963 1.00 0.01 C ATOM 1543 OE1 GLU A 99 25.036 10.703 -5.269 1.00 0.02 O ATOM 1544 OE2 GLU A 99 25.326 12.694 -6.032 1.00 0.01 O ATOM 0 H GLU A 99 25.989 7.781 -8.905 1.00 0.01 H new ATOM 0 HA GLU A 99 24.396 9.348 -7.088 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.670 8.886 -6.472 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.286 9.324 -8.053 1.00 0.01 H new ATOM 0 HG2 GLU A 99 27.720 11.046 -6.202 1.00 0.01 H new ATOM 0 HG3 GLU A 99 26.965 11.686 -7.648 1.00 0.01 H new ATOM 1551 N LYS A 100 25.062 10.762 -9.970 1.00 0.01 N ATOM 1552 CA LYS A 100 24.722 11.989 -10.779 1.00 0.01 C ATOM 1553 C LYS A 100 23.698 11.651 -11.865 1.00 0.01 C ATOM 1554 O LYS A 100 23.425 10.499 -12.151 1.00 0.01 O ATOM 1555 CB LYS A 100 25.984 12.551 -11.434 1.00 0.94 C ATOM 1556 CG LYS A 100 26.956 13.033 -10.354 1.00 1.63 C ATOM 1557 CD LYS A 100 28.031 13.917 -10.989 1.00 2.19 C ATOM 1558 CE LYS A 100 29.140 14.188 -9.969 1.00 2.84 C ATOM 1559 NZ LYS A 100 29.852 12.917 -9.657 1.00 3.18 N ATOM 0 H LYS A 100 25.527 10.017 -10.489 1.00 0.01 H new ATOM 0 HA LYS A 100 24.296 12.734 -10.107 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.458 11.785 -12.048 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.724 13.376 -12.097 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.417 13.591 -9.588 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.419 12.179 -9.859 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.445 13.427 -11.870 1.00 2.19 H new ATOM 0 HD3 LYS A 100 27.592 14.857 -11.323 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.842 14.922 -10.366 1.00 2.84 H new ATOM 0 HE3 LYS A 100 28.716 14.612 -9.059 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 30.805 13.132 -9.299 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 29.321 12.390 -8.934 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 29.928 12.341 -10.520 1.00 3.18 H new ATOM 1573 N GLY A 101 23.133 12.665 -12.465 1.00 0.01 N ATOM 1574 CA GLY A 101 22.109 12.455 -13.528 1.00 0.01 C ATOM 1575 C GLY A 101 22.736 11.818 -14.769 1.00 0.00 C ATOM 1576 O GLY A 101 23.936 11.822 -14.958 1.00 0.01 O ATOM 0 H GLY A 101 23.341 13.642 -12.260 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.311 11.816 -13.149 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.654 13.409 -13.794 1.00 0.01 H new ATOM 1580 N ASP A 102 21.904 11.288 -15.625 1.00 0.01 N ATOM 1581 CA ASP A 102 22.391 10.656 -16.882 1.00 0.00 C ATOM 1582 C ASP A 102 23.382 9.530 -16.581 1.00 0.00 C ATOM 1583 O ASP A 102 24.350 9.328 -17.286 1.00 0.01 O ATOM 1584 CB ASP A 102 23.064 11.717 -17.757 1.00 0.01 C ATOM 1585 CG ASP A 102 22.192 12.972 -17.801 1.00 0.01 C ATOM 1586 OD1 ASP A 102 21.070 12.871 -18.269 1.00 0.01 O ATOM 1587 OD2 ASP A 102 22.661 14.011 -17.368 1.00 0.01 O ATOM 0 H ASP A 102 20.892 11.267 -15.503 1.00 0.01 H new ATOM 0 HA ASP A 102 21.538 10.228 -17.409 1.00 0.00 H new ATOM 0 HB2 ASP A 102 24.049 11.960 -17.359 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.214 11.330 -18.765 1.00 0.01 H new ATOM 1592 N PHE A 103 23.115 8.775 -15.549 1.00 0.01 N ATOM 1593 CA PHE A 103 23.996 7.627 -15.197 1.00 0.01 C ATOM 1594 C PHE A 103 25.457 8.066 -15.083 1.00 0.00 C ATOM 1595 O PHE A 103 26.327 7.511 -15.726 1.00 0.01 O ATOM 1596 CB PHE A 103 23.876 6.554 -16.281 1.00 0.01 C ATOM 1597 CG PHE A 103 22.418 6.349 -16.624 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.586 5.636 -15.751 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.897 6.869 -17.816 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.236 5.446 -16.068 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.547 6.678 -18.132 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.717 5.967 -17.259 1.00 0.01 C ATOM 0 H PHE A 103 22.316 8.907 -14.929 1.00 0.01 H new ATOM 0 HA PHE A 103 23.680 7.232 -14.232 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.431 6.855 -17.169 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.314 5.619 -15.933 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.987 5.233 -14.833 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.537 7.417 -18.491 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.595 4.898 -15.394 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.146 7.080 -19.051 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.675 5.820 -17.504 1.00 0.01 H new ATOM 1612 N ASN A 104 25.739 9.038 -14.250 1.00 0.00 N ATOM 1613 CA ASN A 104 27.153 9.501 -14.063 1.00 0.01 C ATOM 1614 C ASN A 104 27.462 9.505 -12.565 1.00 0.01 C ATOM 1615 O ASN A 104 26.573 9.412 -11.742 1.00 0.01 O ATOM 1616 CB ASN A 104 27.312 10.920 -14.623 1.00 1.68 C ATOM 1617 CG ASN A 104 27.423 10.857 -16.148 1.00 2.31 C ATOM 1618 OD1 ASN A 104 26.512 11.437 -16.882 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 28.350 10.278 -16.678 1.00 2.38 N flip ATOM 0 H ASN A 104 25.048 9.534 -13.688 1.00 0.00 H new ATOM 0 HA ASN A 104 27.838 8.836 -14.589 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.459 11.534 -14.335 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.200 11.391 -14.202 1.00 1.68 H new ATOM 0 HD21 ASN A 104 29.062 9.825 -16.106 1.00 2.38 H new ATOM 0 HD22 ASN A 104 28.416 10.245 -17.695 1.00 2.38 H new ATOM 1626 N GLY A 105 28.713 9.603 -12.194 1.00 0.01 N ATOM 1627 CA GLY A 105 29.062 9.607 -10.743 1.00 0.01 C ATOM 1628 C GLY A 105 29.352 8.179 -10.292 1.00 0.01 C ATOM 1629 O GLY A 105 29.560 7.296 -11.102 1.00 0.01 O ATOM 0 H GLY A 105 29.505 9.680 -12.832 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.932 10.240 -10.568 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.241 10.025 -10.161 1.00 0.01 H new ATOM 1633 N GLN A 106 29.351 7.929 -9.013 1.00 0.01 N ATOM 1634 CA GLN A 106 29.608 6.546 -8.532 1.00 0.01 C ATOM 1635 C GLN A 106 28.349 5.710 -8.753 1.00 0.01 C ATOM 1636 O GLN A 106 27.239 6.195 -8.644 1.00 0.01 O ATOM 1637 CB GLN A 106 29.949 6.580 -7.040 1.00 0.01 C ATOM 1638 CG GLN A 106 30.502 5.218 -6.612 1.00 0.01 C ATOM 1639 CD GLN A 106 31.902 5.029 -7.199 1.00 0.01 C ATOM 1640 OE1 GLN A 106 32.860 5.595 -6.713 1.00 0.01 O ATOM 1641 NE2 GLN A 106 32.061 4.251 -8.234 1.00 0.01 N ATOM 0 H GLN A 106 29.184 8.621 -8.283 1.00 0.01 H new ATOM 0 HA GLN A 106 30.444 6.109 -9.078 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.683 7.361 -6.841 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.060 6.823 -6.458 1.00 0.01 H new ATOM 0 HG2 GLN A 106 30.540 5.155 -5.525 1.00 0.01 H new ATOM 0 HG3 GLN A 106 29.842 4.421 -6.955 1.00 0.01 H new ATOM 0 HE21 GLN A 106 31.257 3.775 -8.643 1.00 0.01 H new ATOM 0 HE22 GLN A 106 32.990 4.118 -8.634 1.00 0.01 H new ATOM 1650 N MET A 107 28.525 4.456 -9.084 1.00 0.01 N ATOM 1651 CA MET A 107 27.356 3.556 -9.338 1.00 0.01 C ATOM 1652 C MET A 107 27.339 2.426 -8.309 1.00 0.01 C ATOM 1653 O MET A 107 28.364 1.885 -7.938 1.00 0.01 O ATOM 1654 CB MET A 107 27.477 2.953 -10.740 1.00 0.00 C ATOM 1655 CG MET A 107 26.168 2.256 -11.112 1.00 0.01 C ATOM 1656 SD MET A 107 26.435 1.210 -12.564 1.00 0.01 S ATOM 1657 CE MET A 107 26.898 -0.297 -11.678 1.00 0.01 C ATOM 0 H MET A 107 29.437 4.012 -9.190 1.00 0.01 H new ATOM 0 HA MET A 107 26.435 4.133 -9.259 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.704 3.735 -11.465 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.302 2.241 -10.771 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.814 1.653 -10.276 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.396 2.996 -11.321 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.110 -1.090 -12.395 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.785 -0.106 -11.074 1.00 0.01 H new ATOM 0 HE3 MET A 107 26.078 -0.605 -11.030 1.00 0.01 H new ATOM 1667 N TYR A 108 26.166 2.053 -7.862 1.00 0.01 N ATOM 1668 CA TYR A 108 26.024 0.941 -6.872 1.00 0.00 C ATOM 1669 C TYR A 108 24.935 -0.017 -7.375 1.00 0.01 C ATOM 1670 O TYR A 108 23.900 0.399 -7.860 1.00 0.01 O ATOM 1671 CB TYR A 108 25.613 1.505 -5.511 1.00 0.54 C ATOM 1672 CG TYR A 108 26.789 2.207 -4.876 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.712 1.477 -4.117 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.956 3.586 -5.047 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.803 2.128 -3.528 1.00 1.76 C ATOM 1676 CE2 TYR A 108 28.047 4.237 -4.458 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.971 3.508 -3.699 1.00 1.82 C ATOM 1678 OH TYR A 108 30.045 4.150 -3.119 1.00 2.48 O ATOM 0 H TYR A 108 25.285 2.480 -8.147 1.00 0.01 H new ATOM 0 HA TYR A 108 26.973 0.416 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.783 2.201 -5.631 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.264 0.701 -4.863 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.583 0.413 -3.986 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.244 4.148 -5.633 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.515 1.566 -2.942 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.176 5.301 -4.589 1.00 1.51 H new ATOM 0 HH TYR A 108 30.012 5.105 -3.337 1.00 2.48 H new ATOM 1688 N GLU A 109 25.184 -1.299 -7.288 1.00 0.01 N ATOM 1689 CA GLU A 109 24.198 -2.319 -7.786 1.00 0.01 C ATOM 1690 C GLU A 109 23.727 -3.200 -6.628 1.00 0.01 C ATOM 1691 O GLU A 109 24.516 -3.669 -5.832 1.00 0.01 O ATOM 1692 CB GLU A 109 24.905 -3.171 -8.849 1.00 0.01 C ATOM 1693 CG GLU A 109 23.913 -4.156 -9.478 1.00 0.01 C ATOM 1694 CD GLU A 109 23.693 -5.344 -8.537 1.00 0.00 C ATOM 1695 OE1 GLU A 109 24.582 -6.176 -8.450 1.00 0.00 O ATOM 1696 OE2 GLU A 109 22.641 -5.401 -7.921 1.00 0.00 O ATOM 0 H GLU A 109 26.037 -1.691 -6.889 1.00 0.01 H new ATOM 0 HA GLU A 109 23.323 -1.829 -8.214 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.329 -2.527 -9.620 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.734 -3.716 -8.397 1.00 0.01 H new ATOM 0 HG2 GLU A 109 22.965 -3.656 -9.674 1.00 0.01 H new ATOM 0 HG3 GLU A 109 24.293 -4.506 -10.438 1.00 0.01 H new ATOM 1703 N THR A 110 22.436 -3.431 -6.522 1.00 0.01 N ATOM 1704 CA THR A 110 21.927 -4.283 -5.403 1.00 0.00 C ATOM 1705 C THR A 110 20.676 -5.064 -5.832 1.00 0.01 C ATOM 1706 O THR A 110 19.888 -4.627 -6.651 1.00 0.01 O ATOM 1707 CB THR A 110 21.575 -3.406 -4.199 1.00 1.21 C ATOM 1708 OG1 THR A 110 21.040 -4.217 -3.162 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.541 -2.359 -4.614 1.00 1.69 C ATOM 0 H THR A 110 21.723 -3.070 -7.156 1.00 0.01 H new ATOM 0 HA THR A 110 22.712 -4.990 -5.135 1.00 0.00 H new ATOM 0 HB THR A 110 22.474 -2.905 -3.840 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.816 -3.656 -2.390 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.291 -1.735 -3.756 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.952 -1.736 -5.408 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.642 -2.859 -4.974 1.00 1.69 H new ATOM 1717 N THR A 111 20.516 -6.230 -5.262 1.00 0.00 N ATOM 1718 CA THR A 111 19.344 -7.106 -5.581 1.00 0.01 C ATOM 1719 C THR A 111 18.395 -7.189 -4.376 1.00 0.01 C ATOM 1720 O THR A 111 17.503 -8.012 -4.351 1.00 0.01 O ATOM 1721 CB THR A 111 19.853 -8.508 -5.921 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.715 -8.961 -4.886 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.618 -8.468 -7.245 1.00 0.01 C ATOM 0 H THR A 111 21.160 -6.621 -4.575 1.00 0.00 H new ATOM 0 HA THR A 111 18.801 -6.685 -6.427 1.00 0.01 H new ATOM 0 HB THR A 111 19.007 -9.190 -6.014 1.00 0.01 H new ATOM 0 HG1 THR A 111 21.041 -9.860 -5.101 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.980 -9.467 -7.486 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.955 -8.121 -8.038 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.464 -7.787 -7.156 1.00 0.01 H new ATOM 1731 N GLU A 112 18.598 -6.372 -3.367 1.00 0.01 N ATOM 1732 CA GLU A 112 17.722 -6.437 -2.142 1.00 0.01 C ATOM 1733 C GLU A 112 17.012 -5.102 -1.885 1.00 0.01 C ATOM 1734 O GLU A 112 17.400 -4.065 -2.387 1.00 0.01 O ATOM 1735 CB GLU A 112 18.598 -6.770 -0.934 1.00 0.85 C ATOM 1736 CG GLU A 112 19.230 -8.149 -1.126 1.00 1.61 C ATOM 1737 CD GLU A 112 20.327 -8.359 -0.081 1.00 2.51 C ATOM 1738 OE1 GLU A 112 21.185 -7.498 0.029 1.00 3.21 O ATOM 1739 OE2 GLU A 112 20.294 -9.378 0.590 1.00 3.07 O ATOM 0 H GLU A 112 19.330 -5.663 -3.335 1.00 0.01 H new ATOM 0 HA GLU A 112 16.962 -7.202 -2.301 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.376 -6.015 -0.816 1.00 0.85 H new ATOM 0 HB3 GLU A 112 18.000 -6.756 -0.023 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.470 -8.925 -1.032 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.648 -8.232 -2.129 1.00 1.61 H new ATOM 1746 N ASP A 113 15.984 -5.130 -1.073 1.00 0.01 N ATOM 1747 CA ASP A 113 15.242 -3.877 -0.729 1.00 0.01 C ATOM 1748 C ASP A 113 16.161 -2.992 0.111 1.00 0.00 C ATOM 1749 O ASP A 113 17.066 -3.474 0.763 1.00 0.01 O ATOM 1750 CB ASP A 113 14.005 -4.231 0.098 1.00 0.01 C ATOM 1751 CG ASP A 113 12.942 -4.849 -0.811 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.311 -5.618 -1.682 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.776 -4.545 -0.618 1.00 0.00 O ATOM 0 H ASP A 113 15.624 -5.975 -0.630 1.00 0.01 H new ATOM 0 HA ASP A 113 14.937 -3.360 -1.639 1.00 0.01 H new ATOM 0 HB2 ASP A 113 14.272 -4.930 0.890 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.610 -3.338 0.582 1.00 0.01 H new ATOM 1758 N CYS A 114 15.916 -1.699 0.127 1.00 0.01 N ATOM 1759 CA CYS A 114 16.754 -0.773 0.961 1.00 0.01 C ATOM 1760 C CYS A 114 15.826 0.051 1.882 1.00 0.01 C ATOM 1761 O CYS A 114 15.087 0.887 1.392 1.00 0.01 O ATOM 1762 CB CYS A 114 17.505 0.189 0.039 1.00 0.01 C ATOM 1763 SG CYS A 114 18.768 1.074 0.988 1.00 0.01 S ATOM 0 H CYS A 114 15.171 -1.245 -0.402 1.00 0.01 H new ATOM 0 HA CYS A 114 17.461 -1.351 1.556 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.969 -0.362 -0.779 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.809 0.898 -0.409 1.00 0.01 H new ATOM 0 HG CYS A 114 19.928 0.522 0.787 1.00 0.01 H new ATOM 1769 N PRO A 115 15.856 -0.134 3.195 1.00 0.01 N ATOM 1770 CA PRO A 115 14.982 0.679 4.088 1.00 0.01 C ATOM 1771 C PRO A 115 15.525 2.105 4.243 1.00 0.01 C ATOM 1772 O PRO A 115 14.775 3.047 4.415 1.00 0.01 O ATOM 1773 CB PRO A 115 15.041 -0.102 5.413 1.00 0.01 C ATOM 1774 CG PRO A 115 16.264 -1.037 5.352 1.00 0.01 C ATOM 1775 CD PRO A 115 16.720 -1.141 3.882 1.00 0.01 C ATOM 0 HA PRO A 115 13.967 0.807 3.712 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.125 0.583 6.257 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.127 -0.677 5.559 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.071 -0.648 5.973 1.00 0.01 H new ATOM 0 HG3 PRO A 115 16.009 -2.023 5.741 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.779 -0.909 3.770 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.569 -2.144 3.482 1.00 0.01 H new ATOM 1783 N SER A 116 16.823 2.270 4.190 1.00 0.01 N ATOM 1784 CA SER A 116 17.420 3.632 4.334 1.00 0.02 C ATOM 1785 C SER A 116 18.595 3.760 3.364 1.00 0.01 C ATOM 1786 O SER A 116 19.633 3.147 3.531 1.00 0.00 O ATOM 1787 CB SER A 116 17.908 3.823 5.771 1.00 0.01 C ATOM 1788 OG SER A 116 16.851 3.515 6.670 1.00 0.01 O ATOM 0 H SER A 116 17.497 1.517 4.053 1.00 0.01 H new ATOM 0 HA SER A 116 16.674 4.394 4.108 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.765 3.178 5.965 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.241 4.850 5.921 1.00 0.01 H new ATOM 0 HG SER A 116 17.160 3.635 7.592 1.00 0.01 H new ATOM 1794 N ILE A 117 18.407 4.531 2.327 1.00 0.01 N ATOM 1795 CA ILE A 117 19.469 4.703 1.295 1.00 0.01 C ATOM 1796 C ILE A 117 20.709 5.360 1.899 1.00 0.01 C ATOM 1797 O ILE A 117 21.822 5.018 1.550 1.00 0.00 O ATOM 1798 CB ILE A 117 18.923 5.585 0.171 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.783 4.851 -0.538 1.00 1.44 C ATOM 1800 CG2 ILE A 117 20.033 5.892 -0.835 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.007 5.837 -1.412 1.00 1.83 C ATOM 0 H ILE A 117 17.551 5.056 2.149 1.00 0.01 H new ATOM 0 HA ILE A 117 19.752 3.724 0.908 1.00 0.01 H new ATOM 0 HB ILE A 117 18.554 6.520 0.593 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.182 4.042 -1.150 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.117 4.397 0.196 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.637 6.520 -1.633 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.846 6.414 -0.331 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.408 4.960 -1.259 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.195 5.314 -1.917 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.595 6.630 -0.788 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.677 6.270 -2.155 1.00 1.83 H new ATOM 1813 N MET A 118 20.534 6.314 2.769 1.00 0.02 N ATOM 1814 CA MET A 118 21.721 7.001 3.350 1.00 0.01 C ATOM 1815 C MET A 118 22.507 6.044 4.245 1.00 0.01 C ATOM 1816 O MET A 118 23.718 6.086 4.287 1.00 0.02 O ATOM 1817 CB MET A 118 21.282 8.227 4.158 1.00 0.24 C ATOM 1818 CG MET A 118 22.512 9.002 4.646 1.00 0.63 C ATOM 1819 SD MET A 118 23.176 8.211 6.134 1.00 1.20 S ATOM 1820 CE MET A 118 24.706 9.172 6.238 1.00 1.34 C ATOM 0 H MET A 118 19.629 6.646 3.101 1.00 0.02 H new ATOM 0 HA MET A 118 22.364 7.326 2.532 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.656 8.873 3.543 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.678 7.914 5.010 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.272 9.027 3.865 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.242 10.036 4.861 1.00 0.63 H new ATOM 0 HE1 MET A 118 25.284 8.844 7.102 1.00 1.34 H new ATOM 0 HE2 MET A 118 25.292 9.022 5.331 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.465 10.230 6.343 1.00 1.34 H new ATOM 1830 N GLU A 119 21.853 5.191 4.971 1.00 0.01 N ATOM 1831 CA GLU A 119 22.608 4.265 5.858 1.00 0.02 C ATOM 1832 C GLU A 119 23.345 3.215 5.023 1.00 0.02 C ATOM 1833 O GLU A 119 24.443 2.807 5.347 1.00 0.01 O ATOM 1834 CB GLU A 119 21.634 3.562 6.807 1.00 0.30 C ATOM 1835 CG GLU A 119 22.416 2.875 7.928 1.00 0.99 C ATOM 1836 CD GLU A 119 21.467 2.011 8.761 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.676 2.576 9.497 1.00 2.11 O ATOM 1838 OE2 GLU A 119 21.548 0.799 8.646 1.00 2.07 O ATOM 0 H GLU A 119 20.838 5.092 4.992 1.00 0.01 H new ATOM 0 HA GLU A 119 23.336 4.840 6.431 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.935 4.285 7.228 1.00 0.30 H new ATOM 0 HB3 GLU A 119 21.043 2.828 6.259 1.00 0.30 H new ATOM 0 HG2 GLU A 119 23.210 2.258 7.506 1.00 0.99 H new ATOM 0 HG3 GLU A 119 22.895 3.622 8.562 1.00 0.99 H new ATOM 1845 N GLN A 120 22.723 2.731 3.983 1.00 0.00 N ATOM 1846 CA GLN A 120 23.359 1.655 3.164 1.00 0.01 C ATOM 1847 C GLN A 120 24.408 2.205 2.193 1.00 0.01 C ATOM 1848 O GLN A 120 25.471 1.638 2.038 1.00 0.01 O ATOM 1849 CB GLN A 120 22.273 0.930 2.363 1.00 0.52 C ATOM 1850 CG GLN A 120 22.840 -0.377 1.801 1.00 1.07 C ATOM 1851 CD GLN A 120 23.009 -1.391 2.935 1.00 1.08 C ATOM 1852 OE1 GLN A 120 24.027 -1.413 3.600 1.00 0.98 O ATOM 1853 NE2 GLN A 120 22.049 -2.240 3.184 1.00 2.08 N ATOM 0 H GLN A 120 21.802 3.032 3.663 1.00 0.00 H new ATOM 0 HA GLN A 120 23.865 0.974 3.848 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.414 0.722 3.001 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.920 1.565 1.550 1.00 0.52 H new ATOM 0 HG2 GLN A 120 22.172 -0.777 1.038 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.800 -0.192 1.319 1.00 1.07 H new ATOM 0 HE21 GLN A 120 21.195 -2.222 2.627 1.00 2.08 H new ATOM 0 HE22 GLN A 120 22.153 -2.921 3.936 1.00 2.08 H new ATOM 1862 N PHE A 121 24.087 3.256 1.482 1.00 0.02 N ATOM 1863 CA PHE A 121 25.033 3.795 0.447 1.00 0.01 C ATOM 1864 C PHE A 121 25.643 5.136 0.853 1.00 0.01 C ATOM 1865 O PHE A 121 26.425 5.707 0.119 1.00 0.01 O ATOM 1866 CB PHE A 121 24.261 3.972 -0.858 1.00 0.01 C ATOM 1867 CG PHE A 121 23.672 2.644 -1.274 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.458 1.711 -1.960 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.339 2.346 -0.968 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.911 0.481 -2.342 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.792 1.115 -1.349 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.577 0.182 -2.035 1.00 0.01 C ATOM 0 H PHE A 121 23.209 3.768 1.571 1.00 0.02 H new ATOM 0 HA PHE A 121 25.854 3.087 0.336 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.469 4.709 -0.728 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.923 4.349 -1.637 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.487 1.940 -2.195 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.733 3.066 -0.438 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.517 -0.238 -2.873 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.763 0.885 -1.113 1.00 0.01 H new ATOM 0 HZ PHE A 121 22.155 -0.768 -2.328 1.00 0.01 H new ATOM 1882 N HIS A 122 25.302 5.658 1.995 1.00 0.01 N ATOM 1883 CA HIS A 122 25.879 6.969 2.399 1.00 0.01 C ATOM 1884 C HIS A 122 25.515 8.016 1.344 1.00 0.01 C ATOM 1885 O HIS A 122 26.258 8.944 1.089 1.00 0.02 O ATOM 1886 CB HIS A 122 27.402 6.840 2.524 1.00 0.01 C ATOM 1887 CG HIS A 122 27.745 5.511 3.141 1.00 0.01 C ATOM 1888 ND1 HIS A 122 28.116 4.310 2.588 1.00 0.01 N flip ATOM 1889 CD2 HIS A 122 27.727 5.307 4.511 1.00 0.01 C flip ATOM 1890 CE1 HIS A 122 28.324 3.374 3.596 1.00 0.00 C flip ATOM 1891 NE2 HIS A 122 28.075 4.026 4.736 1.00 0.01 N flip ATOM 0 H HIS A 122 24.654 5.239 2.662 1.00 0.01 H new ATOM 0 HA HIS A 122 25.476 7.277 3.364 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.867 6.928 1.542 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.797 7.650 3.137 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.479 6.042 5.262 1.00 0.01 H new ATOM 0 HE1 HIS A 122 28.622 2.342 3.482 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.141 3.605 5.663 1.00 0.01 H new ATOM 1899 N LEU A 123 24.366 7.863 0.728 1.00 0.01 N ATOM 1900 CA LEU A 123 23.919 8.836 -0.324 1.00 0.01 C ATOM 1901 C LEU A 123 22.723 9.618 0.211 1.00 0.02 C ATOM 1902 O LEU A 123 21.815 9.060 0.795 1.00 0.01 O ATOM 1903 CB LEU A 123 23.477 8.068 -1.578 1.00 0.01 C ATOM 1904 CG LEU A 123 24.685 7.416 -2.277 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.191 6.358 -3.273 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.490 8.473 -3.045 1.00 0.01 C ATOM 0 H LEU A 123 23.713 7.101 0.910 1.00 0.01 H new ATOM 0 HA LEU A 123 24.739 9.510 -0.573 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.753 7.301 -1.303 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.976 8.747 -2.268 1.00 0.01 H new ATOM 0 HG LEU A 123 25.319 6.955 -1.519 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.046 5.897 -3.768 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.624 5.594 -2.741 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.552 6.831 -4.019 1.00 0.01 H new ATOM 0 HD21 LEU A 123 26.341 7.998 -3.534 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.853 8.940 -3.797 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.848 9.233 -2.351 1.00 0.01 H new ATOM 1918 N ARG A 124 22.712 10.914 0.022 1.00 0.01 N ATOM 1919 CA ARG A 124 21.576 11.737 0.522 1.00 0.00 C ATOM 1920 C ARG A 124 20.513 11.882 -0.570 1.00 0.01 C ATOM 1921 O ARG A 124 19.359 12.148 -0.298 1.00 0.01 O ATOM 1922 CB ARG A 124 22.084 13.126 0.916 1.00 1.67 C ATOM 1923 CG ARG A 124 23.350 12.986 1.763 1.00 1.98 C ATOM 1924 CD ARG A 124 23.660 14.322 2.443 1.00 2.92 C ATOM 1925 NE ARG A 124 22.629 14.604 3.479 1.00 3.54 N ATOM 1926 CZ ARG A 124 22.841 15.524 4.378 1.00 4.57 C ATOM 1927 NH1 ARG A 124 23.958 16.200 4.371 1.00 5.25 N ATOM 1928 NH2 ARG A 124 21.935 15.769 5.287 1.00 5.32 N ATOM 0 H ARG A 124 23.445 11.436 -0.459 1.00 0.01 H new ATOM 0 HA ARG A 124 21.137 11.244 1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.295 13.714 0.023 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.316 13.660 1.476 1.00 1.67 H new ATOM 0 HG2 ARG A 124 23.214 12.207 2.513 1.00 1.98 H new ATOM 0 HG3 ARG A 124 24.188 12.682 1.136 1.00 1.98 H new ATOM 0 HD2 ARG A 124 24.649 14.289 2.899 1.00 2.92 H new ATOM 0 HD3 ARG A 124 23.676 15.123 1.704 1.00 2.92 H new ATOM 0 HE ARG A 124 21.756 14.077 3.486 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.666 16.008 3.662 1.00 5.25 H new ATOM 0 HH12 ARG A 124 24.123 16.920 5.075 1.00 5.25 H new ATOM 0 HH21 ARG A 124 21.063 15.241 5.293 1.00 5.32 H new ATOM 0 HH22 ARG A 124 22.100 16.489 5.991 1.00 5.32 H new ATOM 1942 N GLU A 125 20.901 11.730 -1.814 1.00 0.01 N ATOM 1943 CA GLU A 125 19.928 11.881 -2.936 1.00 0.01 C ATOM 1944 C GLU A 125 20.342 10.982 -4.109 1.00 0.01 C ATOM 1945 O GLU A 125 21.471 10.542 -4.201 1.00 0.01 O ATOM 1946 CB GLU A 125 19.928 13.335 -3.413 1.00 0.01 C ATOM 1947 CG GLU A 125 19.362 14.235 -2.312 1.00 0.01 C ATOM 1948 CD GLU A 125 19.136 15.643 -2.868 1.00 0.02 C ATOM 1949 OE1 GLU A 125 20.018 16.140 -3.549 1.00 0.01 O ATOM 1950 OE2 GLU A 125 18.083 16.201 -2.605 1.00 0.02 O ATOM 0 H GLU A 125 21.855 11.507 -2.099 1.00 0.01 H new ATOM 0 HA GLU A 125 18.935 11.597 -2.587 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.942 13.646 -3.666 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.330 13.431 -4.319 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.423 13.825 -1.939 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.051 14.272 -1.468 1.00 0.01 H new ATOM 1957 N ILE A 126 19.437 10.742 -5.022 1.00 0.01 N ATOM 1958 CA ILE A 126 19.756 9.910 -6.227 1.00 0.01 C ATOM 1959 C ILE A 126 19.213 10.651 -7.456 1.00 0.01 C ATOM 1960 O ILE A 126 18.086 11.106 -7.455 1.00 0.01 O ATOM 1961 CB ILE A 126 19.098 8.530 -6.090 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.900 7.719 -5.063 1.00 1.49 C ATOM 1963 CG2 ILE A 126 19.111 7.809 -7.447 1.00 2.17 C ATOM 1964 CD1 ILE A 126 19.230 6.371 -4.806 1.00 1.70 C ATOM 0 H ILE A 126 18.479 11.090 -4.986 1.00 0.01 H new ATOM 0 HA ILE A 126 20.831 9.760 -6.327 1.00 0.01 H new ATOM 0 HB ILE A 126 18.064 8.636 -5.763 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.916 7.564 -5.427 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.977 8.277 -4.130 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.643 6.830 -7.343 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.559 8.400 -8.178 1.00 2.17 H new ATOM 0 HG23 ILE A 126 20.140 7.685 -7.783 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.812 5.809 -4.075 1.00 1.70 H new ATOM 0 HD12 ILE A 126 18.223 6.533 -4.421 1.00 1.70 H new ATOM 0 HD13 ILE A 126 19.176 5.808 -5.738 1.00 1.70 H new ATOM 1976 N HIS A 127 20.018 10.821 -8.483 1.00 0.01 N ATOM 1977 CA HIS A 127 19.552 11.595 -9.686 1.00 0.01 C ATOM 1978 C HIS A 127 19.288 10.700 -10.902 1.00 0.01 C ATOM 1979 O HIS A 127 18.683 11.129 -11.865 1.00 0.01 O ATOM 1980 CB HIS A 127 20.597 12.650 -10.052 1.00 0.02 C ATOM 1981 CG HIS A 127 20.660 13.693 -8.970 1.00 0.01 C ATOM 1982 ND1 HIS A 127 20.062 14.936 -9.105 1.00 0.01 N ATOM 1983 CD2 HIS A 127 21.248 13.694 -7.726 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.300 15.627 -7.975 1.00 0.01 C ATOM 1985 NE2 HIS A 127 21.019 14.916 -7.102 1.00 0.02 N ATOM 0 H HIS A 127 20.970 10.461 -8.541 1.00 0.01 H new ATOM 0 HA HIS A 127 18.606 12.066 -9.417 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.573 12.182 -10.177 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.342 13.114 -11.005 1.00 0.02 H new ATOM 0 HD2 HIS A 127 21.803 12.872 -7.299 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.952 16.634 -7.796 1.00 0.01 H new ATOM 0 HE2 HIS A 127 21.333 15.207 -6.176 1.00 0.02 H new ATOM 1993 N SER A 128 19.697 9.461 -10.869 1.00 0.01 N ATOM 1994 CA SER A 128 19.421 8.558 -12.024 1.00 0.01 C ATOM 1995 C SER A 128 19.512 7.105 -11.548 1.00 0.01 C ATOM 1996 O SER A 128 20.205 6.799 -10.597 1.00 0.01 O ATOM 1997 CB SER A 128 20.454 8.808 -13.128 1.00 0.01 C ATOM 1998 OG SER A 128 20.071 9.957 -13.873 1.00 0.01 O ATOM 0 H SER A 128 20.208 9.036 -10.096 1.00 0.01 H new ATOM 0 HA SER A 128 18.424 8.754 -12.420 1.00 0.01 H new ATOM 0 HB2 SER A 128 21.442 8.955 -12.692 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.521 7.940 -13.784 1.00 0.01 H new ATOM 0 HG SER A 128 19.478 10.517 -13.329 1.00 0.01 H new ATOM 2004 N CYS A 129 18.811 6.209 -12.188 1.00 0.01 N ATOM 2005 CA CYS A 129 18.853 4.783 -11.758 1.00 0.01 C ATOM 2006 C CYS A 129 18.207 3.915 -12.838 1.00 0.00 C ATOM 2007 O CYS A 129 17.297 4.348 -13.518 1.00 0.01 O ATOM 2008 CB CYS A 129 18.092 4.620 -10.439 1.00 0.69 C ATOM 2009 SG CYS A 129 17.822 2.862 -10.108 1.00 1.22 S ATOM 0 H CYS A 129 18.211 6.403 -12.990 1.00 0.01 H new ATOM 0 HA CYS A 129 19.888 4.474 -11.612 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.657 5.071 -9.623 1.00 0.69 H new ATOM 0 HB3 CYS A 129 17.136 5.142 -10.492 1.00 0.69 H new ATOM 0 HG CYS A 129 18.948 2.222 -10.216 1.00 1.22 H new ATOM 2015 N LYS A 130 18.673 2.696 -13.009 1.00 0.01 N ATOM 2016 CA LYS A 130 18.085 1.800 -14.060 1.00 0.01 C ATOM 2017 C LYS A 130 17.539 0.524 -13.406 1.00 0.01 C ATOM 2018 O LYS A 130 18.268 -0.319 -12.912 1.00 0.01 O ATOM 2019 CB LYS A 130 19.175 1.445 -15.098 1.00 0.55 C ATOM 2020 CG LYS A 130 18.561 1.322 -16.509 1.00 0.80 C ATOM 2021 CD LYS A 130 18.474 2.707 -17.163 1.00 0.29 C ATOM 2022 CE LYS A 130 17.823 2.584 -18.541 1.00 0.33 C ATOM 2023 NZ LYS A 130 18.448 1.456 -19.286 1.00 1.41 N ATOM 0 H LYS A 130 19.433 2.285 -12.467 1.00 0.01 H new ATOM 0 HA LYS A 130 17.266 2.313 -14.563 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.949 2.213 -15.098 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.656 0.507 -14.822 1.00 0.55 H new ATOM 0 HG2 LYS A 130 19.169 0.658 -17.123 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.568 0.877 -16.445 1.00 0.80 H new ATOM 0 HD2 LYS A 130 17.893 3.381 -16.534 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.470 3.139 -17.258 1.00 0.29 H new ATOM 0 HE2 LYS A 130 16.751 2.415 -18.435 1.00 0.33 H new ATOM 0 HE3 LYS A 130 17.945 3.513 -19.097 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 18.270 1.571 -20.304 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 19.473 1.451 -19.112 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 18.038 0.557 -18.962 1.00 1.41 H new ATOM 2037 N VAL A 131 16.241 0.402 -13.415 1.00 0.01 N ATOM 2038 CA VAL A 131 15.546 -0.782 -12.834 1.00 0.01 C ATOM 2039 C VAL A 131 14.910 -1.558 -13.989 1.00 0.01 C ATOM 2040 O VAL A 131 14.166 -0.991 -14.765 1.00 0.01 O ATOM 2041 CB VAL A 131 14.452 -0.300 -11.866 1.00 0.01 C ATOM 2042 CG1 VAL A 131 14.112 -1.409 -10.864 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.952 0.935 -11.111 1.00 0.01 C ATOM 0 H VAL A 131 15.612 1.098 -13.815 1.00 0.01 H new ATOM 0 HA VAL A 131 16.245 -1.417 -12.289 1.00 0.01 H new ATOM 0 HB VAL A 131 13.557 -0.047 -12.434 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.337 -1.059 -10.183 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.753 -2.287 -11.401 1.00 0.01 H new ATOM 0 HG13 VAL A 131 15.004 -1.671 -10.295 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.179 1.279 -10.424 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.850 0.679 -10.548 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.184 1.727 -11.823 1.00 0.01 H new ATOM 2053 N VAL A 132 15.135 -2.850 -14.098 1.00 0.01 N ATOM 2054 CA VAL A 132 14.480 -3.636 -15.172 1.00 0.01 C ATOM 2055 C VAL A 132 13.846 -4.849 -14.509 1.00 0.00 C ATOM 2056 O VAL A 132 14.447 -5.889 -14.334 1.00 0.01 O ATOM 2057 CB VAL A 132 15.526 -4.095 -16.190 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.823 -4.666 -17.422 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.389 -2.901 -16.605 1.00 1.98 C ATOM 0 H VAL A 132 15.747 -3.386 -13.483 1.00 0.01 H new ATOM 0 HA VAL A 132 13.733 -3.037 -15.694 1.00 0.01 H new ATOM 0 HB VAL A 132 16.156 -4.863 -15.742 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.568 -4.993 -18.147 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.206 -5.515 -17.128 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.193 -3.898 -17.870 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.135 -3.226 -17.330 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.757 -2.134 -17.053 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.890 -2.492 -15.728 1.00 1.98 H new ATOM 2069 N GLU A 133 12.612 -4.699 -14.189 1.00 0.01 N ATOM 2070 CA GLU A 133 11.806 -5.790 -13.573 1.00 0.01 C ATOM 2071 C GLU A 133 10.387 -5.601 -14.091 1.00 0.01 C ATOM 2072 O GLU A 133 9.935 -6.286 -14.989 1.00 0.01 O ATOM 2073 CB GLU A 133 11.835 -5.662 -12.044 1.00 0.00 C ATOM 2074 CG GLU A 133 10.846 -6.648 -11.410 1.00 0.00 C ATOM 2075 CD GLU A 133 11.136 -8.067 -11.906 1.00 0.00 C ATOM 2076 OE1 GLU A 133 12.291 -8.458 -11.873 1.00 0.00 O ATOM 2077 OE2 GLU A 133 10.200 -8.737 -12.308 1.00 0.00 O ATOM 0 H GLU A 133 12.095 -3.831 -14.331 1.00 0.01 H new ATOM 0 HA GLU A 133 12.196 -6.775 -13.827 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.842 -5.858 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.581 -4.643 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.926 -6.609 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.824 -6.366 -11.664 1.00 0.00 H new ATOM 2084 N GLY A 134 9.684 -4.668 -13.517 1.00 0.01 N ATOM 2085 CA GLY A 134 8.286 -4.400 -13.941 1.00 0.01 C ATOM 2086 C GLY A 134 7.728 -3.286 -13.061 1.00 0.01 C ATOM 2087 O GLY A 134 7.609 -2.154 -13.484 1.00 0.01 O ATOM 0 H GLY A 134 10.024 -4.072 -12.762 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.256 -4.107 -14.990 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.680 -5.301 -13.844 1.00 0.01 H new ATOM 2091 N THR A 135 7.397 -3.600 -11.829 1.00 0.01 N ATOM 2092 CA THR A 135 6.854 -2.566 -10.890 1.00 0.01 C ATOM 2093 C THR A 135 7.753 -2.457 -9.645 1.00 0.01 C ATOM 2094 O THR A 135 7.938 -3.406 -8.911 1.00 0.01 O ATOM 2095 CB THR A 135 5.436 -2.959 -10.475 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.086 -2.262 -9.290 1.00 1.92 O ATOM 2097 CG2 THR A 135 5.365 -4.469 -10.231 1.00 2.30 C ATOM 0 H THR A 135 7.481 -4.536 -11.432 1.00 0.01 H new ATOM 0 HA THR A 135 6.833 -1.598 -11.391 1.00 0.01 H new ATOM 0 HB THR A 135 4.738 -2.697 -11.270 1.00 1.43 H new ATOM 0 HG1 THR A 135 4.118 -2.109 -9.274 1.00 1.92 H new ATOM 0 HG21 THR A 135 4.352 -4.743 -9.936 1.00 2.30 H new ATOM 0 HG22 THR A 135 5.632 -4.998 -11.146 1.00 2.30 H new ATOM 0 HG23 THR A 135 6.061 -4.742 -9.438 1.00 2.30 H new ATOM 2105 N TRP A 136 8.293 -1.290 -9.404 1.00 0.01 N ATOM 2106 CA TRP A 136 9.172 -1.056 -8.207 1.00 0.01 C ATOM 2107 C TRP A 136 8.592 0.148 -7.462 1.00 0.01 C ATOM 2108 O TRP A 136 8.006 1.011 -8.084 1.00 0.00 O ATOM 2109 CB TRP A 136 10.612 -0.759 -8.669 1.00 0.01 C ATOM 2110 CG TRP A 136 11.394 -2.034 -8.766 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.068 -3.092 -9.545 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.618 -2.401 -8.069 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.014 -4.085 -9.368 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.991 -3.707 -8.468 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.433 -1.733 -7.138 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.133 -4.326 -7.959 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.583 -2.356 -6.625 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.930 -3.649 -7.035 1.00 0.01 C ATOM 0 H TRP A 136 8.162 -0.470 -9.996 1.00 0.01 H new ATOM 0 HA TRP A 136 9.203 -1.932 -7.559 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.596 -0.258 -9.637 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.095 -0.079 -7.967 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.210 -3.151 -10.198 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.993 -4.987 -9.844 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.173 -0.735 -6.815 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.399 -5.323 -8.278 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.203 -1.835 -5.910 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.815 -4.123 -6.636 1.00 0.01 H new ATOM 2129 N ILE A 137 8.749 0.252 -6.153 1.00 0.01 N ATOM 2130 CA ILE A 137 8.191 1.446 -5.430 1.00 0.00 C ATOM 2131 C ILE A 137 9.305 2.199 -4.700 1.00 0.01 C ATOM 2132 O ILE A 137 10.139 1.625 -4.025 1.00 0.01 O ATOM 2133 CB ILE A 137 7.158 0.990 -4.397 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.099 0.119 -5.083 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.487 2.225 -3.786 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.135 -0.479 -4.046 1.00 1.69 C ATOM 0 H ILE A 137 9.232 -0.428 -5.566 1.00 0.01 H new ATOM 0 HA ILE A 137 7.726 2.103 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 137 7.648 0.411 -3.615 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.541 0.716 -5.804 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.585 -0.682 -5.640 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.749 1.910 -3.048 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.241 2.847 -3.303 1.00 1.37 H new ATOM 0 HG23 ILE A 137 5.994 2.797 -4.572 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.391 -1.094 -4.553 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.695 -1.094 -3.341 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.635 0.326 -3.508 1.00 1.69 H new ATOM 2148 N PHE A 138 9.291 3.497 -4.821 1.00 0.01 N ATOM 2149 CA PHE A 138 10.300 4.367 -4.137 1.00 0.01 C ATOM 2150 C PHE A 138 9.537 5.139 -3.052 1.00 0.01 C ATOM 2151 O PHE A 138 8.412 5.531 -3.268 1.00 0.00 O ATOM 2152 CB PHE A 138 10.898 5.354 -5.163 1.00 1.11 C ATOM 2153 CG PHE A 138 12.104 4.771 -5.895 1.00 1.11 C ATOM 2154 CD1 PHE A 138 12.295 3.383 -6.035 1.00 1.54 C ATOM 2155 CD2 PHE A 138 13.041 5.651 -6.447 1.00 1.46 C ATOM 2156 CE1 PHE A 138 13.416 2.895 -6.718 1.00 2.35 C ATOM 2157 CE2 PHE A 138 14.161 5.160 -7.130 1.00 2.01 C ATOM 2158 CZ PHE A 138 14.348 3.782 -7.263 1.00 2.49 C ATOM 0 H PHE A 138 8.606 4.008 -5.379 1.00 0.01 H new ATOM 0 HA PHE A 138 11.114 3.784 -3.707 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.133 5.627 -5.889 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.194 6.270 -4.652 1.00 1.11 H new ATOM 0 HD1 PHE A 138 11.577 2.694 -5.615 1.00 1.54 H new ATOM 0 HD2 PHE A 138 12.900 6.717 -6.346 1.00 1.46 H new ATOM 0 HE1 PHE A 138 13.561 1.830 -6.824 1.00 2.35 H new ATOM 0 HE2 PHE A 138 14.879 5.846 -7.553 1.00 2.01 H new ATOM 0 HZ PHE A 138 15.213 3.402 -7.787 1.00 2.49 H new ATOM 2168 N TYR A 139 10.126 5.370 -1.897 1.00 0.01 N ATOM 2169 CA TYR A 139 9.415 6.128 -0.811 1.00 0.01 C ATOM 2170 C TYR A 139 10.239 7.354 -0.411 1.00 0.01 C ATOM 2171 O TYR A 139 11.456 7.332 -0.428 1.00 0.01 O ATOM 2172 CB TYR A 139 9.226 5.227 0.410 1.00 0.01 C ATOM 2173 CG TYR A 139 8.418 4.010 0.025 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.013 2.983 -0.713 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.075 3.905 0.413 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.269 1.850 -1.064 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.331 2.772 0.060 1.00 0.02 C ATOM 2178 CZ TYR A 139 6.928 1.746 -0.680 1.00 0.02 C ATOM 2179 OH TYR A 139 6.196 0.630 -1.027 1.00 0.00 O ATOM 0 H TYR A 139 11.070 5.065 -1.660 1.00 0.01 H new ATOM 0 HA TYR A 139 8.441 6.449 -1.181 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.196 4.922 0.802 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.719 5.776 1.204 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.047 3.063 -1.013 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.614 4.697 0.984 1.00 0.01 H new ATOM 0 HE1 TYR A 139 8.731 1.056 -1.632 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.296 2.691 0.359 1.00 0.02 H new ATOM 0 HH TYR A 139 5.283 0.717 -0.681 1.00 0.00 H new ATOM 2189 N GLU A 140 9.581 8.442 -0.103 1.00 0.01 N ATOM 2190 CA GLU A 140 10.305 9.704 0.229 1.00 0.02 C ATOM 2191 C GLU A 140 10.934 9.651 1.627 1.00 0.01 C ATOM 2192 O GLU A 140 11.944 10.287 1.859 1.00 0.01 O ATOM 2193 CB GLU A 140 9.290 10.847 0.182 1.00 0.01 C ATOM 2194 CG GLU A 140 10.030 12.186 0.150 1.00 0.02 C ATOM 2195 CD GLU A 140 9.046 13.321 0.436 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.076 13.438 -0.296 1.00 0.02 O ATOM 2197 OE2 GLU A 140 9.278 14.055 1.383 1.00 0.01 O ATOM 0 H GLU A 140 8.564 8.510 -0.067 1.00 0.01 H new ATOM 0 HA GLU A 140 11.112 9.849 -0.490 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.656 10.749 -0.699 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.635 10.802 1.052 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.830 12.189 0.890 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.497 12.332 -0.824 1.00 0.02 H new ATOM 2204 N LEU A 141 10.367 8.922 2.564 1.00 0.01 N ATOM 2205 CA LEU A 141 10.964 8.867 3.946 1.00 0.02 C ATOM 2206 C LEU A 141 11.426 7.424 4.236 1.00 0.01 C ATOM 2207 O LEU A 141 10.911 6.483 3.659 1.00 0.01 O ATOM 2208 CB LEU A 141 9.878 9.284 4.960 1.00 0.57 C ATOM 2209 CG LEU A 141 9.823 10.822 5.086 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.451 11.248 5.617 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.907 11.320 6.053 1.00 1.24 C ATOM 0 H LEU A 141 9.522 8.365 2.435 1.00 0.01 H new ATOM 0 HA LEU A 141 11.819 9.539 4.023 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.908 8.904 4.641 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.090 8.840 5.933 1.00 0.57 H new ATOM 0 HG LEU A 141 9.993 11.256 4.100 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.416 12.334 5.705 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.675 10.914 4.928 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.285 10.799 6.596 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.854 12.406 6.130 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.748 10.878 7.037 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.889 11.030 5.679 1.00 1.24 H new ATOM 2223 N PRO A 142 12.391 7.241 5.124 1.00 0.01 N ATOM 2224 CA PRO A 142 12.893 5.874 5.446 1.00 0.01 C ATOM 2225 C PRO A 142 11.781 4.925 5.907 1.00 0.01 C ATOM 2226 O PRO A 142 10.679 5.320 6.229 1.00 0.01 O ATOM 2227 CB PRO A 142 13.913 6.141 6.577 1.00 0.01 C ATOM 2228 CG PRO A 142 13.847 7.633 6.949 1.00 0.02 C ATOM 2229 CD PRO A 142 13.050 8.364 5.857 1.00 0.01 C ATOM 0 HA PRO A 142 13.321 5.374 4.577 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.686 5.523 7.446 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.919 5.876 6.251 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.369 7.762 7.920 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.851 8.050 7.030 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.321 9.054 6.281 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.699 8.948 5.204 1.00 0.01 H new ATOM 2237 N ASN A 143 12.114 3.666 5.952 1.00 0.01 N ATOM 2238 CA ASN A 143 11.153 2.624 6.408 1.00 0.01 C ATOM 2239 C ASN A 143 9.900 2.605 5.531 1.00 0.01 C ATOM 2240 O ASN A 143 8.826 2.242 5.967 1.00 0.01 O ATOM 2241 CB ASN A 143 10.749 2.910 7.856 1.00 0.23 C ATOM 2242 CG ASN A 143 11.992 3.277 8.667 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.165 2.884 8.252 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 11.897 3.928 9.688 1.00 0.56 N flip ATOM 0 H ASN A 143 13.031 3.308 5.686 1.00 0.01 H new ATOM 0 HA ASN A 143 11.640 1.652 6.334 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.026 3.725 7.889 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.264 2.035 8.289 1.00 0.23 H new ATOM 0 HD21 ASN A 143 10.981 4.236 10.013 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.734 4.167 10.220 1.00 0.56 H new ATOM 2251 N TYR A 144 10.046 2.953 4.282 1.00 0.01 N ATOM 2252 CA TYR A 144 8.892 2.919 3.339 1.00 0.02 C ATOM 2253 C TYR A 144 7.745 3.811 3.838 1.00 0.01 C ATOM 2254 O TYR A 144 6.611 3.382 3.922 1.00 0.01 O ATOM 2255 CB TYR A 144 8.406 1.464 3.202 1.00 0.01 C ATOM 2256 CG TYR A 144 9.586 0.528 3.376 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.682 0.616 2.506 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.593 -0.417 4.413 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.779 -0.238 2.670 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.691 -1.269 4.577 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.784 -1.180 3.707 1.00 0.01 C ATOM 2262 OH TYR A 144 12.868 -2.020 3.870 1.00 0.01 O ATOM 0 H TYR A 144 10.926 3.263 3.870 1.00 0.01 H new ATOM 0 HA TYR A 144 9.213 3.300 2.370 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.643 1.250 3.951 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.946 1.312 2.226 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.680 1.344 1.708 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.751 -0.487 5.085 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.621 -0.171 1.997 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.695 -1.996 5.376 1.00 0.01 H new ATOM 0 HH TYR A 144 12.711 -2.611 4.636 1.00 0.01 H new ATOM 2272 N ARG A 145 8.037 5.050 4.163 1.00 0.02 N ATOM 2273 CA ARG A 145 6.965 5.985 4.654 1.00 0.01 C ATOM 2274 C ARG A 145 6.960 7.262 3.807 1.00 0.01 C ATOM 2275 O ARG A 145 7.891 7.530 3.070 1.00 0.01 O ATOM 2276 CB ARG A 145 7.246 6.364 6.113 1.00 0.01 C ATOM 2277 CG ARG A 145 7.316 5.100 6.986 1.00 0.02 C ATOM 2278 CD ARG A 145 5.904 4.624 7.345 1.00 0.01 C ATOM 2279 NE ARG A 145 5.996 3.516 8.336 1.00 0.01 N ATOM 2280 CZ ARG A 145 4.940 3.152 9.008 1.00 0.01 C ATOM 2281 NH1 ARG A 145 3.802 3.760 8.811 1.00 0.02 N ATOM 2282 NH2 ARG A 145 5.022 2.181 9.874 1.00 0.01 N ATOM 0 H ARG A 145 8.971 5.457 4.110 1.00 0.02 H new ATOM 0 HA ARG A 145 5.998 5.488 4.575 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.185 6.913 6.179 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.463 7.026 6.482 1.00 0.01 H new ATOM 0 HG2 ARG A 145 7.849 4.312 6.455 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.879 5.308 7.896 1.00 0.02 H new ATOM 0 HD2 ARG A 145 5.323 5.449 7.758 1.00 0.01 H new ATOM 0 HD3 ARG A 145 5.383 4.284 6.450 1.00 0.01 H new ATOM 0 HE ARG A 145 6.886 3.042 8.489 1.00 0.01 H new ATOM 0 HH11 ARG A 145 3.740 4.519 8.132 1.00 0.02 H new ATOM 0 HH12 ARG A 145 2.975 3.476 9.336 1.00 0.02 H new ATOM 0 HH21 ARG A 145 5.912 1.707 10.025 1.00 0.01 H new ATOM 0 HH22 ARG A 145 4.196 1.896 10.400 1.00 0.01 H new ATOM 2296 N GLY A 146 5.913 8.047 3.891 1.00 0.01 N ATOM 2297 CA GLY A 146 5.840 9.305 3.088 1.00 0.02 C ATOM 2298 C GLY A 146 5.214 9.020 1.719 1.00 0.01 C ATOM 2299 O GLY A 146 4.628 7.981 1.493 1.00 0.02 O ATOM 0 H GLY A 146 5.103 7.868 4.484 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.248 10.051 3.619 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.839 9.723 2.960 1.00 0.02 H new ATOM 2303 N ARG A 147 5.337 9.947 0.808 1.00 0.01 N ATOM 2304 CA ARG A 147 4.754 9.755 -0.550 1.00 0.01 C ATOM 2305 C ARG A 147 5.541 8.668 -1.279 1.00 0.01 C ATOM 2306 O ARG A 147 6.743 8.542 -1.131 1.00 0.01 O ATOM 2307 CB ARG A 147 4.852 11.066 -1.331 1.00 0.01 C ATOM 2308 CG ARG A 147 3.989 10.974 -2.591 1.00 0.01 C ATOM 2309 CD ARG A 147 4.040 12.304 -3.346 1.00 0.01 C ATOM 2310 NE ARG A 147 3.500 13.388 -2.478 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.710 14.638 -2.788 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.388 14.939 -3.863 1.00 0.01 N ATOM 2313 NH2 ARG A 147 3.242 15.589 -2.025 1.00 0.02 N ATOM 0 H ARG A 147 5.820 10.835 0.948 1.00 0.01 H new ATOM 0 HA ARG A 147 3.708 9.459 -0.467 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.520 11.898 -0.710 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.889 11.264 -1.601 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.346 10.167 -3.231 1.00 0.01 H new ATOM 0 HG3 ARG A 147 2.960 10.736 -2.323 1.00 0.01 H new ATOM 0 HD2 ARG A 147 5.066 12.532 -3.635 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.458 12.235 -4.265 1.00 0.01 H new ATOM 0 HE ARG A 147 2.966 13.153 -1.641 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.753 14.197 -4.460 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.552 15.916 -4.105 1.00 0.01 H new ATOM 0 HH21 ARG A 147 2.712 15.355 -1.186 1.00 0.02 H new ATOM 0 HH22 ARG A 147 3.407 16.566 -2.268 1.00 0.02 H new ATOM 2327 N GLN A 148 4.849 7.857 -2.045 1.00 0.01 N ATOM 2328 CA GLN A 148 5.510 6.732 -2.773 1.00 0.01 C ATOM 2329 C GLN A 148 5.427 6.961 -4.286 1.00 0.01 C ATOM 2330 O GLN A 148 4.476 7.528 -4.788 1.00 0.01 O ATOM 2331 CB GLN A 148 4.755 5.440 -2.416 1.00 0.00 C ATOM 2332 CG GLN A 148 4.320 5.482 -0.945 1.00 0.02 C ATOM 2333 CD GLN A 148 3.046 6.322 -0.803 1.00 0.02 C ATOM 2334 OE1 GLN A 148 2.089 6.190 -1.682 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 2.918 7.105 0.117 1.00 0.01 N flip ATOM 0 H GLN A 148 3.843 7.930 -2.197 1.00 0.01 H new ATOM 0 HA GLN A 148 6.560 6.665 -2.488 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.883 5.328 -3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.394 4.574 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 148 4.142 4.470 -0.580 1.00 0.02 H new ATOM 0 HG3 GLN A 148 5.116 5.906 -0.333 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.664 7.210 0.805 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.065 7.657 0.202 1.00 0.01 H new ATOM 2344 N TYR A 149 6.415 6.500 -5.011 1.00 0.01 N ATOM 2345 CA TYR A 149 6.423 6.651 -6.502 1.00 0.01 C ATOM 2346 C TYR A 149 6.580 5.265 -7.134 1.00 0.01 C ATOM 2347 O TYR A 149 7.383 4.470 -6.686 1.00 0.01 O ATOM 2348 CB TYR A 149 7.592 7.544 -6.926 1.00 0.01 C ATOM 2349 CG TYR A 149 7.643 8.764 -6.037 1.00 0.01 C ATOM 2350 CD1 TYR A 149 8.276 8.697 -4.790 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.056 9.963 -6.461 1.00 0.01 C ATOM 2352 CE1 TYR A 149 8.325 9.828 -3.968 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.104 11.096 -5.637 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.738 11.027 -4.392 1.00 0.01 C ATOM 2355 OH TYR A 149 7.788 12.143 -3.581 1.00 0.01 O ATOM 0 H TYR A 149 7.229 6.018 -4.629 1.00 0.01 H new ATOM 0 HA TYR A 149 5.491 7.109 -6.833 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.529 6.991 -6.857 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.475 7.844 -7.967 1.00 0.01 H new ATOM 0 HD1 TYR A 149 8.727 7.772 -4.462 1.00 0.01 H new ATOM 0 HD2 TYR A 149 6.567 10.015 -7.422 1.00 0.01 H new ATOM 0 HE1 TYR A 149 8.815 9.777 -3.007 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.652 12.021 -5.963 1.00 0.01 H new ATOM 0 HH TYR A 149 7.335 12.890 -4.024 1.00 0.01 H new ATOM 2365 N LEU A 150 5.817 4.949 -8.150 1.00 0.01 N ATOM 2366 CA LEU A 150 5.928 3.591 -8.778 1.00 0.01 C ATOM 2367 C LEU A 150 6.810 3.683 -10.029 1.00 0.01 C ATOM 2368 O LEU A 150 6.531 4.428 -10.948 1.00 0.01 O ATOM 2369 CB LEU A 150 4.508 3.115 -9.143 1.00 0.01 C ATOM 2370 CG LEU A 150 4.441 1.578 -9.169 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.980 1.134 -9.263 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.214 1.044 -10.378 1.00 0.01 C ATOM 0 H LEU A 150 5.124 5.567 -8.572 1.00 0.01 H new ATOM 0 HA LEU A 150 6.384 2.879 -8.090 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.791 3.503 -8.419 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.225 3.513 -10.117 1.00 0.01 H new ATOM 0 HG LEU A 150 4.886 1.184 -8.256 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.931 0.045 -9.282 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.430 1.507 -8.399 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.537 1.533 -10.175 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.163 -0.045 -10.391 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.775 1.439 -11.294 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.256 1.357 -10.311 1.00 0.01 H new ATOM 2384 N LEU A 151 7.874 2.919 -10.071 1.00 0.01 N ATOM 2385 CA LEU A 151 8.782 2.941 -11.258 1.00 0.01 C ATOM 2386 C LEU A 151 8.405 1.791 -12.197 1.00 0.01 C ATOM 2387 O LEU A 151 7.986 0.738 -11.759 1.00 0.01 O ATOM 2388 CB LEU A 151 10.232 2.767 -10.793 1.00 0.01 C ATOM 2389 CG LEU A 151 10.762 4.094 -10.238 1.00 0.01 C ATOM 2390 CD1 LEU A 151 9.966 4.489 -8.990 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.240 3.934 -9.874 1.00 0.01 C ATOM 0 H LEU A 151 8.153 2.277 -9.329 1.00 0.01 H new ATOM 0 HA LEU A 151 8.682 3.892 -11.782 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.288 1.994 -10.027 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.853 2.436 -11.625 1.00 0.01 H new ATOM 0 HG LEU A 151 10.652 4.873 -10.993 1.00 0.01 H new ATOM 0 HD11 LEU A 151 10.347 5.433 -8.599 1.00 0.01 H new ATOM 0 HD12 LEU A 151 8.914 4.602 -9.250 1.00 0.01 H new ATOM 0 HD13 LEU A 151 10.071 3.714 -8.231 1.00 0.01 H new ATOM 0 HD21 LEU A 151 12.621 4.876 -9.479 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.347 3.154 -9.120 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.806 3.658 -10.764 1.00 0.01 H new ATOM 2403 N ASP A 152 8.556 1.982 -13.485 1.00 0.01 N ATOM 2404 CA ASP A 152 8.207 0.903 -14.461 1.00 0.01 C ATOM 2405 C ASP A 152 9.492 0.260 -14.990 1.00 0.00 C ATOM 2406 O ASP A 152 10.315 -0.210 -14.231 1.00 0.01 O ATOM 2407 CB ASP A 152 7.427 1.514 -15.629 1.00 1.04 C ATOM 2408 CG ASP A 152 6.313 2.409 -15.085 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.303 1.872 -14.655 1.00 2.27 O ATOM 2410 OD2 ASP A 152 6.490 3.617 -15.106 1.00 1.57 O ATOM 0 H ASP A 152 8.908 2.843 -13.904 1.00 0.01 H new ATOM 0 HA ASP A 152 7.598 0.146 -13.968 1.00 0.01 H new ATOM 0 HB2 ASP A 152 8.097 2.094 -16.264 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.003 0.725 -16.250 1.00 1.04 H new ATOM 2415 N LYS A 153 9.671 0.231 -16.285 1.00 0.01 N ATOM 2416 CA LYS A 153 10.905 -0.387 -16.859 1.00 0.01 C ATOM 2417 C LYS A 153 11.310 0.365 -18.130 1.00 0.01 C ATOM 2418 O LYS A 153 11.592 -0.232 -19.151 1.00 0.01 O ATOM 2419 CB LYS A 153 10.625 -1.852 -17.204 1.00 0.38 C ATOM 2420 CG LYS A 153 9.306 -1.952 -17.972 1.00 0.71 C ATOM 2421 CD LYS A 153 9.146 -3.367 -18.529 1.00 0.72 C ATOM 2422 CE LYS A 153 7.822 -3.469 -19.288 1.00 1.09 C ATOM 2423 NZ LYS A 153 7.770 -4.762 -20.025 1.00 1.84 N ATOM 0 H LYS A 153 9.017 0.608 -16.970 1.00 0.01 H new ATOM 0 HA LYS A 153 11.713 -0.330 -16.130 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.439 -2.257 -17.804 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.574 -2.448 -16.293 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.471 -1.712 -17.314 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.290 -1.226 -18.785 1.00 0.71 H new ATOM 0 HD2 LYS A 153 9.977 -3.604 -19.193 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.169 -4.094 -17.717 1.00 0.72 H new ATOM 0 HE2 LYS A 153 6.986 -3.401 -18.592 1.00 1.09 H new ATOM 0 HE3 LYS A 153 7.725 -2.637 -19.985 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.870 -4.831 -20.541 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 8.560 -4.809 -20.699 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 7.844 -5.550 -19.350 1.00 1.84 H new ATOM 2437 N LYS A 154 11.342 1.673 -18.070 1.00 0.00 N ATOM 2438 CA LYS A 154 11.730 2.490 -19.265 1.00 0.01 C ATOM 2439 C LYS A 154 13.064 3.182 -18.988 1.00 0.01 C ATOM 2440 O LYS A 154 13.803 2.793 -18.106 1.00 0.00 O ATOM 2441 CB LYS A 154 10.655 3.551 -19.521 1.00 0.39 C ATOM 2442 CG LYS A 154 9.296 2.872 -19.707 1.00 0.48 C ATOM 2443 CD LYS A 154 8.212 3.936 -19.878 1.00 0.97 C ATOM 2444 CE LYS A 154 6.921 3.278 -20.365 1.00 1.44 C ATOM 2445 NZ LYS A 154 7.112 2.781 -21.756 1.00 2.28 N ATOM 0 H LYS A 154 11.114 2.216 -17.237 1.00 0.00 H new ATOM 0 HA LYS A 154 11.824 1.844 -20.138 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.612 4.249 -18.685 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.907 4.132 -20.408 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.320 2.219 -20.580 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.071 2.244 -18.845 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.037 4.447 -18.931 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.539 4.692 -20.592 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.650 2.453 -19.706 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.100 3.995 -20.333 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 6.189 2.713 -22.230 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.722 3.441 -22.280 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 7.559 1.842 -21.731 1.00 2.28 H new ATOM 2459 N GLU A 155 13.373 4.211 -19.738 1.00 0.01 N ATOM 2460 CA GLU A 155 14.659 4.948 -19.533 1.00 0.01 C ATOM 2461 C GLU A 155 14.364 6.301 -18.882 1.00 0.01 C ATOM 2462 O GLU A 155 13.888 7.215 -19.525 1.00 0.01 O ATOM 2463 CB GLU A 155 15.331 5.173 -20.893 1.00 0.01 C ATOM 2464 CG GLU A 155 15.254 3.887 -21.721 1.00 0.01 C ATOM 2465 CD GLU A 155 15.869 2.734 -20.929 1.00 0.01 C ATOM 2466 OE1 GLU A 155 15.142 2.103 -20.180 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.055 2.502 -21.085 1.00 0.01 O ATOM 0 H GLU A 155 12.786 4.575 -20.488 1.00 0.01 H new ATOM 0 HA GLU A 155 15.320 4.368 -18.889 1.00 0.01 H new ATOM 0 HB2 GLU A 155 14.839 5.989 -21.423 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.372 5.466 -20.752 1.00 0.01 H new ATOM 0 HG2 GLU A 155 14.216 3.661 -21.966 1.00 0.01 H new ATOM 0 HG3 GLU A 155 15.783 4.017 -22.665 1.00 0.01 H new ATOM 2474 N TYR A 156 14.639 6.437 -17.610 1.00 0.00 N ATOM 2475 CA TYR A 156 14.370 7.733 -16.912 1.00 0.01 C ATOM 2476 C TYR A 156 15.664 8.547 -16.832 1.00 0.01 C ATOM 2477 O TYR A 156 16.601 8.173 -16.155 1.00 0.01 O ATOM 2478 CB TYR A 156 13.843 7.442 -15.506 1.00 0.01 C ATOM 2479 CG TYR A 156 12.617 6.567 -15.601 1.00 0.00 C ATOM 2480 CD1 TYR A 156 12.755 5.186 -15.782 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.340 7.136 -15.505 1.00 0.01 C ATOM 2482 CE1 TYR A 156 11.618 4.374 -15.868 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.203 6.324 -15.592 1.00 0.01 C ATOM 2484 CZ TYR A 156 10.342 4.942 -15.774 1.00 0.01 C ATOM 2485 OH TYR A 156 9.220 4.142 -15.857 1.00 0.01 O ATOM 0 H TYR A 156 15.039 5.706 -17.022 1.00 0.00 H new ATOM 0 HA TYR A 156 13.626 8.307 -17.464 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.612 6.947 -14.913 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.599 8.374 -14.997 1.00 0.01 H new ATOM 0 HD1 TYR A 156 13.739 4.747 -15.855 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.233 8.201 -15.364 1.00 0.01 H new ATOM 0 HE1 TYR A 156 11.725 3.308 -16.007 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.219 6.763 -15.519 1.00 0.01 H new ATOM 0 HH TYR A 156 8.506 4.521 -15.302 1.00 0.01 H new ATOM 2495 N ARG A 157 15.742 9.640 -17.547 1.00 0.01 N ATOM 2496 CA ARG A 157 16.998 10.449 -17.540 1.00 0.01 C ATOM 2497 C ARG A 157 16.927 11.575 -16.507 1.00 0.00 C ATOM 2498 O ARG A 157 17.946 12.058 -16.057 1.00 0.01 O ATOM 2499 CB ARG A 157 17.202 11.060 -18.928 1.00 0.01 C ATOM 2500 CG ARG A 157 18.577 11.728 -18.995 1.00 0.01 C ATOM 2501 CD ARG A 157 18.845 12.194 -20.427 1.00 0.00 C ATOM 2502 NE ARG A 157 17.912 13.303 -20.770 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.142 14.049 -21.817 1.00 0.01 C ATOM 2504 NH1 ARG A 157 19.185 13.820 -22.566 1.00 0.01 N ATOM 2505 NH2 ARG A 157 17.327 15.024 -22.115 1.00 0.01 N ATOM 0 H ARG A 157 14.993 10.007 -18.134 1.00 0.01 H new ATOM 0 HA ARG A 157 17.829 9.794 -17.279 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.124 10.287 -19.692 1.00 0.01 H new ATOM 0 HB3 ARG A 157 16.420 11.791 -19.133 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.615 12.576 -18.311 1.00 0.01 H new ATOM 0 HG3 ARG A 157 19.350 11.028 -18.678 1.00 0.01 H new ATOM 0 HD2 ARG A 157 19.877 12.530 -20.525 1.00 0.00 H new ATOM 0 HD3 ARG A 157 18.712 11.365 -21.122 1.00 0.00 H new ATOM 0 HE ARG A 157 17.094 13.480 -20.187 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.822 13.058 -22.334 1.00 0.01 H new ATOM 0 HH12 ARG A 157 19.364 14.403 -23.384 1.00 0.01 H new ATOM 0 HH21 ARG A 157 16.511 15.203 -21.530 1.00 0.01 H new ATOM 0 HH22 ARG A 157 17.506 15.607 -22.933 1.00 0.01 H new ATOM 2519 N LYS A 158 15.748 11.995 -16.111 1.00 0.01 N ATOM 2520 CA LYS A 158 15.628 13.088 -15.087 1.00 0.01 C ATOM 2521 C LYS A 158 14.702 12.600 -13.955 1.00 0.01 C ATOM 2522 O LYS A 158 13.848 11.770 -14.186 1.00 0.01 O ATOM 2523 CB LYS A 158 15.014 14.325 -15.761 1.00 0.58 C ATOM 2524 CG LYS A 158 16.106 15.118 -16.485 1.00 0.97 C ATOM 2525 CD LYS A 158 15.463 16.229 -17.317 1.00 1.44 C ATOM 2526 CE LYS A 158 16.555 17.077 -17.972 1.00 2.13 C ATOM 2527 NZ LYS A 158 17.326 16.238 -18.932 1.00 2.54 N ATOM 0 H LYS A 158 14.860 11.628 -16.453 1.00 0.01 H new ATOM 0 HA LYS A 158 16.606 13.342 -14.677 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.244 14.020 -16.469 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.529 14.954 -15.014 1.00 0.58 H new ATOM 0 HG2 LYS A 158 16.800 15.546 -15.761 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.685 14.456 -17.129 1.00 0.97 H new ATOM 0 HD2 LYS A 158 14.816 15.797 -18.081 1.00 1.44 H new ATOM 0 HD3 LYS A 158 14.834 16.854 -16.683 1.00 1.44 H new ATOM 0 HE2 LYS A 158 16.109 17.926 -18.491 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.221 17.483 -17.211 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 17.875 16.852 -19.566 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 17.973 15.615 -18.407 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.669 15.660 -19.493 1.00 2.54 H new ATOM 2541 N PRO A 159 14.831 13.119 -12.753 1.00 0.01 N ATOM 2542 CA PRO A 159 13.926 12.691 -11.646 1.00 0.02 C ATOM 2543 C PRO A 159 12.462 12.988 -12.010 1.00 0.01 C ATOM 2544 O PRO A 159 11.570 12.230 -11.681 1.00 0.01 O ATOM 2545 CB PRO A 159 14.416 13.551 -10.462 1.00 0.41 C ATOM 2546 CG PRO A 159 15.430 14.581 -11.001 1.00 0.70 C ATOM 2547 CD PRO A 159 15.857 14.142 -12.411 1.00 0.28 C ATOM 0 HA PRO A 159 13.955 11.623 -11.429 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.576 14.058 -9.987 1.00 0.41 H new ATOM 0 HB3 PRO A 159 14.880 12.922 -9.702 1.00 0.41 H new ATOM 0 HG2 PRO A 159 14.983 15.575 -11.031 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.297 14.641 -10.343 1.00 0.70 H new ATOM 0 HD2 PRO A 159 15.851 14.974 -13.115 1.00 0.28 H new ATOM 0 HD3 PRO A 159 16.864 13.725 -12.419 1.00 0.28 H new ATOM 2555 N VAL A 160 12.205 14.075 -12.675 1.00 0.01 N ATOM 2556 CA VAL A 160 10.797 14.399 -13.044 1.00 0.02 C ATOM 2557 C VAL A 160 10.252 13.297 -13.954 1.00 0.02 C ATOM 2558 O VAL A 160 9.057 13.142 -14.100 1.00 0.02 O ATOM 2559 CB VAL A 160 10.764 15.739 -13.780 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.327 16.063 -14.189 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.291 16.840 -12.857 1.00 0.74 C ATOM 0 H VAL A 160 12.904 14.753 -12.980 1.00 0.01 H new ATOM 0 HA VAL A 160 10.183 14.466 -12.146 1.00 0.02 H new ATOM 0 HB VAL A 160 11.390 15.679 -14.671 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.305 17.018 -14.713 1.00 0.86 H new ATOM 0 HG12 VAL A 160 8.950 15.279 -14.846 1.00 0.86 H new ATOM 0 HG13 VAL A 160 8.700 16.123 -13.299 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.268 17.796 -13.381 1.00 0.74 H new ATOM 0 HG22 VAL A 160 10.665 16.899 -11.967 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.316 16.611 -12.565 1.00 0.74 H new ATOM 2571 N ASP A 161 11.107 12.532 -14.570 1.00 0.00 N ATOM 2572 CA ASP A 161 10.604 11.454 -15.465 1.00 0.01 C ATOM 2573 C ASP A 161 9.848 10.396 -14.650 1.00 0.01 C ATOM 2574 O ASP A 161 9.104 9.604 -15.192 1.00 0.01 O ATOM 2575 CB ASP A 161 11.779 10.792 -16.186 1.00 0.00 C ATOM 2576 CG ASP A 161 12.525 11.838 -17.016 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.136 12.992 -16.965 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.472 11.467 -17.690 1.00 0.00 O ATOM 0 H ASP A 161 12.122 12.604 -14.495 1.00 0.00 H new ATOM 0 HA ASP A 161 9.926 11.894 -16.196 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.455 10.338 -15.461 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.419 9.991 -16.831 1.00 0.00 H new ATOM 2583 N TRP A 162 10.014 10.391 -13.346 1.00 0.01 N ATOM 2584 CA TRP A 162 9.280 9.393 -12.497 1.00 0.01 C ATOM 2585 C TRP A 162 8.042 10.065 -11.896 1.00 0.01 C ATOM 2586 O TRP A 162 7.389 9.515 -11.032 1.00 0.01 O ATOM 2587 CB TRP A 162 10.166 8.893 -11.350 1.00 0.01 C ATOM 2588 CG TRP A 162 11.239 7.988 -11.873 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.036 6.894 -12.647 1.00 0.01 C ATOM 2590 CD2 TRP A 162 12.677 8.075 -11.658 1.00 0.01 C ATOM 2591 NE1 TRP A 162 12.262 6.313 -12.927 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.302 7.004 -12.340 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.490 8.974 -10.947 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 14.686 6.832 -12.316 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 14.884 8.804 -10.920 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.481 7.735 -11.605 1.00 0.01 C ATOM 0 H TRP A 162 10.622 11.031 -12.835 1.00 0.01 H new ATOM 0 HA TRP A 162 8.999 8.547 -13.124 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.617 9.741 -10.834 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.558 8.361 -10.618 1.00 0.01 H new ATOM 0 HD1 TRP A 162 10.077 6.535 -12.989 1.00 0.01 H new ATOM 0 HE1 TRP A 162 12.381 5.476 -13.498 1.00 0.01 H new ATOM 0 HE3 TRP A 162 13.040 9.801 -10.418 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.140 6.006 -12.843 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.499 9.500 -10.369 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.554 7.610 -11.583 1.00 0.01 H new ATOM 2607 N GLY A 163 7.690 11.229 -12.363 1.00 0.02 N ATOM 2608 CA GLY A 163 6.468 11.901 -11.837 1.00 0.01 C ATOM 2609 C GLY A 163 6.752 12.605 -10.506 1.00 0.01 C ATOM 2610 O GLY A 163 5.847 13.031 -9.817 1.00 0.01 O ATOM 0 H GLY A 163 8.194 11.744 -13.085 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.107 12.627 -12.566 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.675 11.165 -11.700 1.00 0.01 H new ATOM 2614 N ALA A 164 7.999 12.711 -10.127 1.00 0.01 N ATOM 2615 CA ALA A 164 8.339 13.366 -8.825 1.00 0.02 C ATOM 2616 C ALA A 164 8.784 14.809 -9.064 1.00 0.01 C ATOM 2617 O ALA A 164 9.476 15.113 -10.014 1.00 0.02 O ATOM 2618 CB ALA A 164 9.506 12.612 -8.187 1.00 0.01 C ATOM 0 H ALA A 164 8.799 12.372 -10.662 1.00 0.01 H new ATOM 0 HA ALA A 164 7.461 13.352 -8.179 1.00 0.02 H new ATOM 0 HB1 ALA A 164 9.765 13.079 -7.237 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.219 11.575 -8.015 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.368 12.644 -8.854 1.00 0.01 H new ATOM 2624 N ALA A 165 8.384 15.699 -8.195 1.00 0.02 N ATOM 2625 CA ALA A 165 8.766 17.131 -8.345 1.00 0.01 C ATOM 2626 C ALA A 165 10.141 17.377 -7.715 1.00 0.02 C ATOM 2627 O ALA A 165 10.720 18.433 -7.879 1.00 0.01 O ATOM 2628 CB ALA A 165 7.735 18.018 -7.646 1.00 0.59 C ATOM 0 H ALA A 165 7.804 15.492 -7.382 1.00 0.02 H new ATOM 0 HA ALA A 165 8.803 17.373 -9.407 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.019 19.064 -7.759 1.00 0.59 H new ATOM 0 HB2 ALA A 165 6.754 17.858 -8.094 1.00 0.59 H new ATOM 0 HB3 ALA A 165 7.696 17.765 -6.587 1.00 0.59 H new ATOM 2634 N SER A 166 10.680 16.416 -7.002 1.00 0.01 N ATOM 2635 CA SER A 166 12.027 16.602 -6.374 1.00 0.01 C ATOM 2636 C SER A 166 12.794 15.261 -6.416 1.00 0.02 C ATOM 2637 O SER A 166 12.183 14.212 -6.365 1.00 0.01 O ATOM 2638 CB SER A 166 11.851 17.038 -4.919 1.00 0.72 C ATOM 2639 OG SER A 166 11.376 18.378 -4.886 1.00 0.87 O ATOM 0 H SER A 166 10.245 15.510 -6.828 1.00 0.01 H new ATOM 0 HA SER A 166 12.585 17.364 -6.918 1.00 0.01 H new ATOM 0 HB2 SER A 166 11.148 16.378 -4.412 1.00 0.72 H new ATOM 0 HB3 SER A 166 12.799 16.963 -4.387 1.00 0.72 H new ATOM 0 HG SER A 166 11.226 18.695 -5.801 1.00 0.87 H new ATOM 2645 N PRO A 167 14.115 15.270 -6.493 1.00 0.02 N ATOM 2646 CA PRO A 167 14.891 13.992 -6.517 1.00 0.01 C ATOM 2647 C PRO A 167 14.992 13.339 -5.130 1.00 0.01 C ATOM 2648 O PRO A 167 15.872 12.535 -4.884 1.00 0.01 O ATOM 2649 CB PRO A 167 16.273 14.478 -6.978 1.00 0.38 C ATOM 2650 CG PRO A 167 16.367 15.970 -6.630 1.00 0.35 C ATOM 2651 CD PRO A 167 14.932 16.521 -6.570 1.00 0.22 C ATOM 0 HA PRO A 167 14.435 13.230 -7.149 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.064 13.916 -6.481 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.397 14.324 -8.050 1.00 0.38 H new ATOM 0 HG2 PRO A 167 16.872 16.110 -5.674 1.00 0.35 H new ATOM 0 HG3 PRO A 167 16.951 16.503 -7.380 1.00 0.35 H new ATOM 0 HD2 PRO A 167 14.778 17.162 -5.702 1.00 0.22 H new ATOM 0 HD3 PRO A 167 14.686 17.114 -7.451 1.00 0.22 H new ATOM 2659 N ALA A 168 14.145 13.706 -4.207 1.00 0.01 N ATOM 2660 CA ALA A 168 14.264 13.125 -2.836 1.00 0.01 C ATOM 2661 C ALA A 168 13.610 11.743 -2.748 1.00 0.01 C ATOM 2662 O ALA A 168 12.440 11.558 -3.013 1.00 0.02 O ATOM 2663 CB ALA A 168 13.578 14.055 -1.834 1.00 0.18 C ATOM 0 H ALA A 168 13.385 14.374 -4.338 1.00 0.01 H new ATOM 0 HA ALA A 168 15.325 13.020 -2.608 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.662 13.635 -0.832 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.057 15.034 -1.859 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.525 14.160 -2.096 1.00 0.18 H new ATOM 2669 N ILE A 169 14.399 10.783 -2.339 1.00 0.01 N ATOM 2670 CA ILE A 169 13.925 9.375 -2.165 1.00 0.01 C ATOM 2671 C ILE A 169 14.739 8.774 -1.019 1.00 0.01 C ATOM 2672 O ILE A 169 15.951 8.856 -1.018 1.00 0.01 O ATOM 2673 CB ILE A 169 14.188 8.548 -3.434 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.530 9.189 -4.677 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.650 7.129 -3.239 1.00 2.24 C ATOM 2676 CD1 ILE A 169 11.988 9.127 -4.620 1.00 3.99 C ATOM 0 H ILE A 169 15.384 10.921 -2.111 1.00 0.01 H new ATOM 0 HA ILE A 169 12.854 9.364 -1.963 1.00 0.01 H new ATOM 0 HB ILE A 169 15.264 8.519 -3.603 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.847 10.229 -4.758 1.00 2.75 H new ATOM 0 HG13 ILE A 169 13.879 8.678 -5.574 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.836 6.542 -4.139 1.00 2.24 H new ATOM 0 HG22 ILE A 169 14.152 6.663 -2.391 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.578 7.170 -3.048 1.00 2.24 H new ATOM 0 HD11 ILE A 169 11.572 9.590 -5.515 1.00 3.99 H new ATOM 0 HD12 ILE A 169 11.667 8.087 -4.567 1.00 3.99 H new ATOM 0 HD13 ILE A 169 11.635 9.661 -3.738 1.00 3.99 H new ATOM 2688 N GLN A 170 14.096 8.198 -0.028 1.00 0.01 N ATOM 2689 CA GLN A 170 14.845 7.622 1.138 1.00 0.01 C ATOM 2690 C GLN A 170 14.751 6.091 1.199 1.00 0.02 C ATOM 2691 O GLN A 170 15.529 5.466 1.894 1.00 0.01 O ATOM 2692 CB GLN A 170 14.274 8.208 2.432 1.00 2.62 C ATOM 2693 CG GLN A 170 14.602 9.703 2.505 1.00 3.39 C ATOM 2694 CD GLN A 170 16.074 9.889 2.880 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.413 9.938 4.045 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.968 9.994 1.936 1.00 5.17 N ATOM 0 H GLN A 170 13.082 8.102 0.024 1.00 0.01 H new ATOM 0 HA GLN A 170 15.897 7.882 1.016 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.195 8.060 2.466 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.694 7.690 3.294 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.398 10.177 1.545 1.00 3.39 H new ATOM 0 HG3 GLN A 170 13.964 10.190 3.243 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.684 9.953 0.957 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.952 10.117 2.176 1.00 5.17 H new ATOM 2705 N SER A 171 13.843 5.446 0.507 1.00 0.01 N ATOM 2706 CA SER A 171 13.798 3.950 0.603 1.00 0.01 C ATOM 2707 C SER A 171 13.096 3.370 -0.630 1.00 0.01 C ATOM 2708 O SER A 171 12.364 4.051 -1.318 1.00 0.01 O ATOM 2709 CB SER A 171 13.035 3.542 1.864 1.00 0.01 C ATOM 2710 OG SER A 171 13.134 2.136 2.035 1.00 0.02 O ATOM 0 H SER A 171 13.148 5.874 -0.105 1.00 0.01 H new ATOM 0 HA SER A 171 14.816 3.563 0.651 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.445 4.056 2.734 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.989 3.838 1.782 1.00 0.01 H new ATOM 0 HG SER A 171 12.311 1.798 2.446 1.00 0.02 H new ATOM 2716 N PHE A 172 13.304 2.103 -0.906 1.00 0.01 N ATOM 2717 CA PHE A 172 12.632 1.472 -2.089 1.00 0.01 C ATOM 2718 C PHE A 172 12.413 -0.024 -1.835 1.00 0.01 C ATOM 2719 O PHE A 172 13.125 -0.652 -1.066 1.00 0.01 O ATOM 2720 CB PHE A 172 13.477 1.677 -3.354 1.00 1.06 C ATOM 2721 CG PHE A 172 14.756 0.871 -3.288 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.735 -0.510 -3.539 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.968 1.507 -2.992 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.923 -1.248 -3.490 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.156 0.767 -2.948 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.133 -0.610 -3.195 1.00 1.92 C ATOM 0 H PHE A 172 13.907 1.481 -0.367 1.00 0.01 H new ATOM 0 HA PHE A 172 11.663 1.949 -2.237 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.902 1.382 -4.232 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.715 2.734 -3.469 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.802 -1.003 -3.770 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.986 2.569 -2.797 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.906 -2.311 -3.680 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.091 1.259 -2.723 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.049 -1.181 -3.158 1.00 1.92 H new ATOM 2736 N ARG A 173 11.409 -0.601 -2.459 1.00 0.01 N ATOM 2737 CA ARG A 173 11.115 -2.053 -2.240 1.00 0.01 C ATOM 2738 C ARG A 173 10.605 -2.696 -3.534 1.00 0.01 C ATOM 2739 O ARG A 173 9.965 -2.065 -4.357 1.00 0.01 O ATOM 2740 CB ARG A 173 10.012 -2.192 -1.181 1.00 0.01 C ATOM 2741 CG ARG A 173 10.552 -1.848 0.206 1.00 0.01 C ATOM 2742 CD ARG A 173 9.518 -2.261 1.257 1.00 0.01 C ATOM 2743 NE ARG A 173 9.526 -3.744 1.409 1.00 0.01 N ATOM 2744 CZ ARG A 173 8.948 -4.295 2.440 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.359 -3.548 3.333 1.00 0.01 N ATOM 2746 NH2 ARG A 173 8.955 -5.593 2.578 1.00 0.01 N ATOM 0 H ARG A 173 10.782 -0.127 -3.110 1.00 0.01 H new ATOM 0 HA ARG A 173 12.032 -2.546 -1.917 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.179 -1.533 -1.427 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.624 -3.211 -1.184 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.495 -2.365 0.382 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.756 -0.780 0.277 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.745 -1.786 2.212 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.526 -1.921 0.959 1.00 0.01 H new ATOM 0 HE ARG A 173 9.983 -4.327 0.708 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.351 -2.534 3.224 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.907 -3.978 4.140 1.00 0.01 H new ATOM 0 HH21 ARG A 173 9.413 -6.178 1.879 1.00 0.01 H new ATOM 0 HH22 ARG A 173 8.503 -6.023 3.385 1.00 0.01 H new ATOM 2760 N ARG A 174 10.870 -3.967 -3.696 1.00 0.01 N ATOM 2761 CA ARG A 174 10.396 -4.700 -4.904 1.00 0.01 C ATOM 2762 C ARG A 174 8.998 -5.263 -4.627 1.00 0.01 C ATOM 2763 O ARG A 174 8.699 -5.684 -3.527 1.00 0.01 O ATOM 2764 CB ARG A 174 11.346 -5.856 -5.216 1.00 0.01 C ATOM 2765 CG ARG A 174 11.387 -6.819 -4.027 1.00 0.01 C ATOM 2766 CD ARG A 174 12.509 -7.839 -4.229 1.00 0.01 C ATOM 2767 NE ARG A 174 12.708 -8.609 -2.970 1.00 0.01 N ATOM 2768 CZ ARG A 174 13.393 -9.719 -2.988 1.00 0.01 C ATOM 2769 NH1 ARG A 174 13.896 -10.157 -4.108 1.00 0.01 N ATOM 2770 NH2 ARG A 174 13.575 -10.388 -1.884 1.00 0.01 N ATOM 0 H ARG A 174 11.401 -4.533 -3.034 1.00 0.01 H new ATOM 0 HA ARG A 174 10.367 -4.018 -5.754 1.00 0.01 H new ATOM 0 HB2 ARG A 174 11.015 -6.381 -6.112 1.00 0.01 H new ATOM 0 HB3 ARG A 174 12.346 -5.474 -5.422 1.00 0.01 H new ATOM 0 HG2 ARG A 174 11.549 -6.264 -3.103 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.430 -7.331 -3.928 1.00 0.01 H new ATOM 0 HD2 ARG A 174 12.258 -8.515 -5.046 1.00 0.01 H new ATOM 0 HD3 ARG A 174 13.432 -7.331 -4.508 1.00 0.01 H new ATOM 0 HE ARG A 174 12.309 -8.269 -2.095 1.00 0.01 H new ATOM 0 HH11 ARG A 174 13.754 -9.632 -4.971 1.00 0.01 H new ATOM 0 HH12 ARG A 174 14.432 -11.025 -4.122 1.00 0.01 H new ATOM 0 HH21 ARG A 174 13.182 -10.043 -1.008 1.00 0.01 H new ATOM 0 HH22 ARG A 174 14.110 -11.256 -1.896 1.00 0.01 H new ATOM 2784 N ILE A 175 8.148 -5.296 -5.624 1.00 0.01 N ATOM 2785 CA ILE A 175 6.776 -5.862 -5.416 1.00 0.01 C ATOM 2786 C ILE A 175 6.757 -7.325 -5.862 1.00 0.00 C ATOM 2787 O ILE A 175 7.194 -7.651 -6.948 1.00 0.01 O ATOM 2788 CB ILE A 175 5.733 -5.082 -6.224 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.969 -3.571 -6.060 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.335 -5.444 -5.708 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.764 -2.781 -6.598 1.00 3.04 C ATOM 0 H ILE A 175 8.341 -4.958 -6.567 1.00 0.01 H new ATOM 0 HA ILE A 175 6.530 -5.785 -4.357 1.00 0.01 H new ATOM 0 HB ILE A 175 5.818 -5.340 -7.280 1.00 1.52 H new ATOM 0 HG12 ILE A 175 6.128 -3.333 -5.008 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.873 -3.277 -6.594 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.584 -4.895 -6.276 1.00 1.75 H new ATOM 0 HG22 ILE A 175 4.169 -6.515 -5.828 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.257 -5.180 -4.653 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.945 -1.713 -6.475 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.624 -3.006 -7.655 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.868 -3.063 -6.045 1.00 3.04 H new ATOM 2803 N VAL A 176 6.256 -8.210 -5.036 1.00 0.01 N ATOM 2804 CA VAL A 176 6.208 -9.658 -5.409 1.00 0.00 C ATOM 2805 C VAL A 176 4.847 -10.243 -5.028 1.00 0.01 C ATOM 2806 O VAL A 176 4.241 -9.847 -4.051 1.00 0.00 O ATOM 2807 CB VAL A 176 7.300 -10.417 -4.653 1.00 1.38 C ATOM 2808 CG1 VAL A 176 7.365 -11.860 -5.159 1.00 1.88 C ATOM 2809 CG2 VAL A 176 8.650 -9.736 -4.887 1.00 1.89 C ATOM 0 H VAL A 176 5.876 -7.991 -4.115 1.00 0.01 H new ATOM 0 HA VAL A 176 6.364 -9.755 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 176 7.070 -10.415 -3.588 1.00 1.38 H new ATOM 0 HG11 VAL A 176 8.143 -12.400 -4.620 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.404 -12.347 -4.993 1.00 1.88 H new ATOM 0 HG13 VAL A 176 7.594 -11.862 -6.225 1.00 1.88 H new ATOM 0 HG21 VAL A 176 9.428 -10.277 -4.348 1.00 1.89 H new ATOM 0 HG22 VAL A 176 8.878 -9.737 -5.953 1.00 1.89 H new ATOM 0 HG23 VAL A 176 8.606 -8.708 -4.527 1.00 1.89 H new ATOM 2819 N GLU A 177 4.358 -11.182 -5.792 1.00 0.01 N ATOM 2820 CA GLU A 177 3.038 -11.795 -5.477 1.00 0.01 C ATOM 2821 C GLU A 177 3.067 -12.366 -4.058 1.00 0.01 C ATOM 2822 CB GLU A 177 2.745 -12.918 -6.474 1.00 2.15 C ATOM 2823 CG GLU A 177 3.932 -13.883 -6.521 1.00 3.19 C ATOM 2824 CD GLU A 177 3.637 -15.007 -7.519 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.690 -14.746 -8.709 1.00 4.89 O ATOM 2826 OE2 GLU A 177 3.365 -16.111 -7.073 1.00 4.77 O ATOM 0 H GLU A 177 4.819 -11.552 -6.624 1.00 0.01 H new ATOM 0 HA GLU A 177 2.259 -11.036 -5.547 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.841 -13.451 -6.181 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.563 -12.501 -7.464 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.836 -13.350 -6.814 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.115 -14.300 -5.531 1.00 3.19 H new