USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=42 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 Set 1.1: A 106 GLN : amide:sc= -3.2! C(o=-5.1!,f=-6.4!) USER MOD Set 1.2: A 108 TYR OH : rot -177:sc= -1.9! USER MOD Set 2.1: A 88 SER OG : rot 37:sc= 0.373 USER MOD Set 2.2: A 135 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 69 TYR OH : rot 30:sc= 0.738 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.861 K(o=1.6,f=0.13!) USER MOD Set 4.1: A 22 CYS SG : rot 136:sc= -2.68! USER MOD Set 4.2: A 26 CYS SG : rot -158:sc= -2.22! 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= -0.239 USER MOD Single : A 14 ASN : amide:sc= -0.932 K(o=-0.93,f=-1.7) USER MOD Single : A 16 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.82) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -81:sc= 0.801 USER MOD Single : A 31 SER OG : rot -23:sc= 0.208 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 38:sc= -1.98 USER MOD Single : A 37 ASN :FLIP amide:sc= 0.133 F(o=-0.7,f=0.13) USER MOD Single : A 38 SER OG : rot -163:sc= -1.31 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 : amide:sc= -0.312 X(o=-0.31,f=-0.11) USER MOD Single : A 55 SER OG : rot 180:sc= -0.148 USER MOD Single : A 57 HIS : no HE2:sc= -0.522 K(o=-0.52,f=-6.7!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 110:sc= -1.29 USER MOD Single : A 63 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.69) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0705 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -3! C(o=-3.5!,f=-3!) USER MOD Single : A 81 SER OG : rot -141:sc= -1.79 USER MOD Single : A 82 CYS SG : rot -15:sc= -0.679! USER MOD Single : A 86 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=-0.48) USER MOD Single : A 89 SER OG : rot 180:sc=-0.00956 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= -2 (180deg=-4.28!) USER MOD Single : A 96 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= -1.49 (180deg=-2.14) USER MOD Single : A 104 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.2!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 150:sc= -0.252 USER MOD Single : A 116 SER OG : rot 172:sc= 0.0575 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.15) USER MOD Single : A 122 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.37) USER MOD Single : A 127 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 128 SER OG : rot -106:sc= -0.601! USER MOD Single : A 129 CYS SG : rot 48:sc= -1.25 USER MOD Single : A 130 LYS NZ :NH3+ -117:sc= -1.03 (180deg=-2.94!) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.519 USER MOD Single : A 143 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.037) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.49) USER MOD Single : A 149 TYR OH : rot 30:sc= -0.484 USER MOD Single : A 153 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0619) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.6!) USER MOD Single : A 171 SER OG : rot 51:sc= 0.568 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.712 -11.764 1.512 1.00 0.01 N ATOM 58 CA GLY A 5 13.534 -10.760 0.427 1.00 0.01 C ATOM 59 C GLY A 5 14.680 -9.749 0.484 1.00 0.01 C ATOM 60 O GLY A 5 15.309 -9.568 1.507 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.518 -11.255 -0.544 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.577 -10.250 0.540 1.00 0.01 H new ATOM 64 N LYS A 6 14.967 -9.088 -0.606 1.00 0.00 N ATOM 65 CA LYS A 6 16.086 -8.094 -0.602 1.00 0.01 C ATOM 66 C LYS A 6 15.785 -6.954 -1.572 1.00 0.01 C ATOM 67 O LYS A 6 15.343 -7.166 -2.692 1.00 0.00 O ATOM 68 CB LYS A 6 17.400 -8.769 -1.001 1.00 0.02 C ATOM 69 CG LYS A 6 18.576 -7.851 -0.657 1.00 0.02 C ATOM 70 CD LYS A 6 19.844 -8.357 -1.351 1.00 0.02 C ATOM 71 CE LYS A 6 20.217 -9.738 -0.802 1.00 0.02 C ATOM 72 NZ LYS A 6 21.631 -10.047 -1.160 1.00 0.02 N ATOM 0 H LYS A 6 14.479 -9.191 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 6 16.183 -7.692 0.406 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.504 -9.721 -0.480 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.398 -8.989 -2.069 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.359 -6.831 -0.974 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.726 -7.825 0.422 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.683 -8.414 -2.427 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.663 -7.657 -1.188 1.00 0.02 H new ATOM 0 HE2 LYS A 6 20.092 -9.757 0.281 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.552 -10.497 -1.213 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.886 -10.984 -0.788 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.736 -10.045 -2.195 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 22.259 -9.328 -0.747 1.00 0.02 H new ATOM 86 N ILE A 7 16.046 -5.742 -1.135 1.00 0.02 N ATOM 87 CA ILE A 7 15.811 -4.530 -1.983 1.00 0.00 C ATOM 88 C ILE A 7 17.071 -3.654 -1.967 1.00 0.02 C ATOM 89 O ILE A 7 17.709 -3.492 -0.947 1.00 0.01 O ATOM 90 CB ILE A 7 14.597 -3.770 -1.443 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.355 -2.511 -2.280 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.847 -3.373 0.007 1.00 0.01 C ATOM 93 CD1 ILE A 7 12.993 -1.915 -1.908 1.00 0.02 C ATOM 0 H ILE A 7 16.419 -5.540 -0.207 1.00 0.02 H new ATOM 0 HA ILE A 7 15.606 -4.816 -3.014 1.00 0.00 H new ATOM 0 HB ILE A 7 13.719 -4.414 -1.500 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.146 -1.783 -2.101 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.381 -2.755 -3.342 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.982 -2.832 0.390 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.010 -4.269 0.607 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.728 -2.734 0.063 1.00 0.01 H new ATOM 0 HD11 ILE A 7 12.814 -1.018 -2.501 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.209 -2.645 -2.110 1.00 0.02 H new ATOM 0 HD13 ILE A 7 12.986 -1.658 -0.849 1.00 0.02 H new ATOM 105 N SER A 8 17.430 -3.085 -3.096 1.00 0.02 N ATOM 106 CA SER A 8 18.651 -2.208 -3.164 1.00 0.02 C ATOM 107 C SER A 8 18.264 -0.803 -3.643 1.00 0.01 C ATOM 108 O SER A 8 17.592 -0.639 -4.640 1.00 0.02 O ATOM 109 CB SER A 8 19.675 -2.804 -4.135 1.00 0.30 C ATOM 110 OG SER A 8 19.716 -4.216 -3.964 1.00 0.39 O ATOM 0 H SER A 8 16.929 -3.190 -3.978 1.00 0.02 H new ATOM 0 HA SER A 8 19.088 -2.146 -2.167 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.406 -2.558 -5.162 1.00 0.30 H new ATOM 0 HB3 SER A 8 20.660 -2.375 -3.952 1.00 0.30 H new ATOM 0 HG SER A 8 20.369 -4.602 -4.585 1.00 0.39 H new ATOM 116 N PHE A 9 18.707 0.213 -2.934 1.00 0.02 N ATOM 117 CA PHE A 9 18.402 1.627 -3.327 1.00 0.01 C ATOM 118 C PHE A 9 19.688 2.305 -3.824 1.00 0.01 C ATOM 119 O PHE A 9 20.751 2.111 -3.263 1.00 0.02 O ATOM 120 CB PHE A 9 17.881 2.394 -2.106 1.00 0.02 C ATOM 121 CG PHE A 9 16.871 1.558 -1.361 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.298 0.659 -0.377 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.505 1.690 -1.644 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.360 -0.109 0.321 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.568 0.923 -0.944 1.00 0.02 C ATOM 126 CZ PHE A 9 14.996 0.022 0.039 1.00 0.02 C ATOM 0 H PHE A 9 19.273 0.119 -2.091 1.00 0.02 H new ATOM 0 HA PHE A 9 17.650 1.629 -4.116 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.710 2.650 -1.446 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.425 3.332 -2.423 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.351 0.558 -0.157 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.176 2.384 -2.403 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.689 -0.804 1.079 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.515 1.026 -1.161 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.273 -0.572 0.579 1.00 0.02 H new ATOM 136 N TYR A 10 19.602 3.099 -4.870 1.00 0.02 N ATOM 137 CA TYR A 10 20.823 3.793 -5.411 1.00 0.01 C ATOM 138 C TYR A 10 20.594 5.311 -5.405 1.00 0.02 C ATOM 139 O TYR A 10 19.517 5.791 -5.710 1.00 0.01 O ATOM 140 CB TYR A 10 21.070 3.334 -6.853 1.00 0.02 C ATOM 141 CG TYR A 10 20.945 1.829 -6.946 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.685 1.221 -6.863 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.089 1.041 -7.132 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.572 -0.170 -6.959 1.00 0.02 C ATOM 145 CE2 TYR A 10 21.974 -0.349 -7.227 1.00 0.02 C ATOM 146 CZ TYR A 10 20.716 -0.956 -7.144 1.00 0.00 C ATOM 147 OH TYR A 10 20.603 -2.328 -7.241 1.00 0.02 O ATOM 0 H TYR A 10 18.738 3.297 -5.374 1.00 0.02 H new ATOM 0 HA TYR A 10 21.684 3.547 -4.789 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.353 3.809 -7.522 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.063 3.645 -7.177 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.801 1.826 -6.725 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.060 1.508 -7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.601 -0.638 -6.890 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.857 -0.955 -7.365 1.00 0.02 H new ATOM 0 HH TYR A 10 21.492 -2.721 -7.369 1.00 0.02 H new ATOM 157 N GLU A 11 21.586 6.073 -5.021 1.00 0.00 N ATOM 158 CA GLU A 11 21.405 7.551 -4.954 1.00 0.02 C ATOM 159 C GLU A 11 21.269 8.173 -6.347 1.00 0.03 C ATOM 160 O GLU A 11 20.651 9.209 -6.492 1.00 0.03 O ATOM 161 CB GLU A 11 22.610 8.179 -4.253 1.00 0.00 C ATOM 162 CG GLU A 11 22.708 7.639 -2.828 1.00 0.00 C ATOM 163 CD GLU A 11 23.707 8.481 -2.030 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.815 8.661 -2.508 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.346 8.932 -0.954 1.00 0.01 O ATOM 0 H GLU A 11 22.510 5.735 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 11 20.487 7.746 -4.399 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.523 7.952 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.510 9.264 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.729 7.666 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.026 6.597 -2.844 1.00 0.00 H new ATOM 172 N ASP A 12 21.832 7.574 -7.376 1.00 0.02 N ATOM 173 CA ASP A 12 21.716 8.170 -8.749 1.00 0.01 C ATOM 174 C ASP A 12 20.887 7.254 -9.653 1.00 0.02 C ATOM 175 O ASP A 12 20.570 6.132 -9.310 1.00 0.02 O ATOM 176 CB ASP A 12 23.109 8.335 -9.360 1.00 0.01 C ATOM 177 CG ASP A 12 24.034 9.017 -8.351 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.536 9.469 -7.331 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.224 9.077 -8.615 1.00 0.02 O ATOM 0 H ASP A 12 22.363 6.705 -7.324 1.00 0.02 H new ATOM 0 HA ASP A 12 21.228 9.141 -8.667 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.513 7.362 -9.639 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.049 8.928 -10.272 1.00 0.01 H new ATOM 184 N ARG A 13 20.533 7.746 -10.806 1.00 0.02 N ATOM 185 CA ARG A 13 19.714 6.951 -11.766 1.00 0.02 C ATOM 186 C ARG A 13 20.593 5.890 -12.438 1.00 0.00 C ATOM 187 O ARG A 13 21.800 6.011 -12.500 1.00 0.02 O ATOM 188 CB ARG A 13 19.150 7.902 -12.835 1.00 0.00 C ATOM 189 CG ARG A 13 17.920 8.658 -12.301 1.00 0.01 C ATOM 190 CD ARG A 13 18.351 9.762 -11.332 1.00 0.02 C ATOM 191 NE ARG A 13 19.341 10.659 -11.993 1.00 0.03 N ATOM 192 CZ ARG A 13 19.616 11.823 -11.472 1.00 0.02 C ATOM 193 NH1 ARG A 13 19.027 12.201 -10.370 1.00 0.02 N ATOM 194 NH2 ARG A 13 20.480 12.609 -12.052 1.00 0.02 N ATOM 0 H ARG A 13 20.780 8.681 -11.130 1.00 0.02 H new ATOM 0 HA ARG A 13 18.899 6.456 -11.238 1.00 0.02 H new ATOM 0 HB2 ARG A 13 19.918 8.615 -13.136 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.876 7.335 -13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.363 9.092 -13.132 1.00 0.01 H new ATOM 0 HG3 ARG A 13 17.249 7.963 -11.796 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.482 10.337 -11.013 1.00 0.02 H new ATOM 0 HD3 ARG A 13 18.788 9.321 -10.436 1.00 0.02 H new ATOM 0 HE ARG A 13 19.803 10.363 -12.853 1.00 0.03 H new ATOM 0 HH11 ARG A 13 18.352 11.586 -9.916 1.00 0.02 H new ATOM 0 HH12 ARG A 13 19.242 13.111 -9.963 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.941 12.314 -12.913 1.00 0.02 H new ATOM 0 HH22 ARG A 13 20.695 13.519 -11.645 1.00 0.02 H new ATOM 208 N ASN A 14 19.976 4.859 -12.954 1.00 0.02 N ATOM 209 CA ASN A 14 20.732 3.776 -13.650 1.00 0.02 C ATOM 210 C ASN A 14 21.628 3.015 -12.667 1.00 0.02 C ATOM 211 O ASN A 14 22.717 2.587 -12.995 1.00 0.02 O ATOM 212 CB ASN A 14 21.563 4.392 -14.780 1.00 0.26 C ATOM 213 CG ASN A 14 20.770 5.525 -15.434 1.00 0.12 C ATOM 214 OD1 ASN A 14 20.989 6.683 -15.142 1.00 0.74 O ATOM 215 ND2 ASN A 14 19.850 5.236 -16.315 1.00 0.46 N ATOM 0 H ASN A 14 18.966 4.720 -12.922 1.00 0.02 H new ATOM 0 HA ASN A 14 20.027 3.059 -14.070 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.506 4.773 -14.387 1.00 0.26 H new ATOM 0 HB3 ASN A 14 21.810 3.632 -15.521 1.00 0.26 H new ATOM 0 HD21 ASN A 14 19.315 5.983 -16.758 1.00 0.46 H new ATOM 0 HD22 ASN A 14 19.666 4.263 -16.560 1.00 0.46 H new ATOM 222 N PHE A 15 21.144 2.867 -11.456 1.00 0.02 N ATOM 223 CA PHE A 15 21.882 2.143 -10.373 1.00 0.02 C ATOM 224 C PHE A 15 23.320 2.643 -10.248 1.00 0.00 C ATOM 225 O PHE A 15 24.251 1.877 -10.104 1.00 0.02 O ATOM 226 CB PHE A 15 21.860 0.620 -10.608 1.00 0.02 C ATOM 227 CG PHE A 15 22.193 0.284 -12.042 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.171 0.196 -12.996 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.522 0.059 -12.418 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.480 -0.117 -14.326 1.00 0.02 C ATOM 231 CE2 PHE A 15 23.830 -0.253 -13.748 1.00 0.02 C ATOM 232 CZ PHE A 15 22.809 -0.341 -14.701 1.00 0.02 C ATOM 0 H PHE A 15 20.237 3.231 -11.166 1.00 0.02 H new ATOM 0 HA PHE A 15 21.369 2.353 -9.434 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.575 0.136 -9.943 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.875 0.225 -10.358 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.145 0.369 -12.706 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.310 0.126 -11.683 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.692 -0.185 -15.062 1.00 0.02 H new ATOM 0 HE2 PHE A 15 24.856 -0.426 -14.038 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.047 -0.582 -15.726 1.00 0.02 H new ATOM 242 N GLN A 16 23.489 3.938 -10.271 1.00 0.02 N ATOM 243 CA GLN A 16 24.846 4.548 -10.121 1.00 0.02 C ATOM 244 C GLN A 16 24.883 5.299 -8.785 1.00 0.02 C ATOM 245 O GLN A 16 23.856 5.540 -8.173 1.00 0.02 O ATOM 246 CB GLN A 16 25.091 5.534 -11.268 1.00 0.02 C ATOM 247 CG GLN A 16 25.475 4.762 -12.533 1.00 0.00 C ATOM 248 CD GLN A 16 25.407 5.697 -13.743 1.00 0.00 C ATOM 249 OE1 GLN A 16 24.843 5.351 -14.761 1.00 0.02 O ATOM 250 NE2 GLN A 16 25.960 6.878 -13.674 1.00 0.02 N ATOM 0 H GLN A 16 22.732 4.612 -10.389 1.00 0.02 H new ATOM 0 HA GLN A 16 25.616 3.776 -10.145 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.195 6.127 -11.449 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.885 6.231 -10.999 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.481 4.354 -12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.801 3.917 -12.675 1.00 0.00 H new ATOM 0 HE21 GLN A 16 26.434 7.170 -12.819 1.00 0.02 H new ATOM 0 HE22 GLN A 16 25.918 7.508 -14.475 1.00 0.02 H new ATOM 259 N GLY A 17 26.044 5.670 -8.315 1.00 0.03 N ATOM 260 CA GLY A 17 26.118 6.405 -7.016 1.00 0.03 C ATOM 261 C GLY A 17 26.245 5.420 -5.847 1.00 0.02 C ATOM 262 O GLY A 17 26.482 4.242 -6.034 1.00 0.02 O ATOM 0 H GLY A 17 26.940 5.498 -8.770 1.00 0.03 H new ATOM 0 HA2 GLY A 17 26.972 7.082 -7.023 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.226 7.018 -6.887 1.00 0.03 H new ATOM 266 N ARG A 18 26.076 5.897 -4.641 1.00 0.00 N ATOM 267 CA ARG A 18 26.170 5.003 -3.451 1.00 0.02 C ATOM 268 C ARG A 18 24.969 4.054 -3.447 1.00 0.02 C ATOM 269 O ARG A 18 23.872 4.419 -3.831 1.00 0.02 O ATOM 270 CB ARG A 18 26.167 5.859 -2.180 1.00 0.79 C ATOM 271 CG ARG A 18 26.415 4.971 -0.953 1.00 1.49 C ATOM 272 CD ARG A 18 27.828 4.359 -0.999 1.00 1.42 C ATOM 273 NE ARG A 18 27.773 3.032 -1.674 1.00 2.07 N ATOM 274 CZ ARG A 18 28.873 2.462 -2.085 1.00 2.35 C ATOM 275 NH1 ARG A 18 30.022 3.055 -1.904 1.00 2.53 N ATOM 276 NH2 ARG A 18 28.825 1.299 -2.673 1.00 2.76 N ATOM 0 H ARG A 18 25.876 6.874 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 18 27.090 4.420 -3.488 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.938 6.627 -2.246 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.212 6.374 -2.080 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.298 5.559 -0.043 1.00 1.49 H new ATOM 0 HG3 ARG A 18 25.670 4.176 -0.917 1.00 1.49 H new ATOM 0 HD2 ARG A 18 28.506 5.023 -1.534 1.00 1.42 H new ATOM 0 HD3 ARG A 18 28.221 4.249 0.012 1.00 1.42 H new ATOM 0 HE ARG A 18 26.875 2.569 -1.815 1.00 2.07 H new ATOM 0 HH11 ARG A 18 30.060 3.963 -1.442 1.00 2.53 H new ATOM 0 HH12 ARG A 18 30.882 2.610 -2.225 1.00 2.53 H new ATOM 0 HH21 ARG A 18 27.928 0.834 -2.812 1.00 2.76 H new ATOM 0 HH22 ARG A 18 29.685 0.854 -2.994 1.00 2.76 H new ATOM 290 N ARG A 19 25.176 2.823 -3.039 1.00 0.02 N ATOM 291 CA ARG A 19 24.070 1.815 -3.028 1.00 0.02 C ATOM 292 C ARG A 19 23.876 1.253 -1.616 1.00 0.02 C ATOM 293 O ARG A 19 24.810 1.128 -0.849 1.00 0.02 O ATOM 294 CB ARG A 19 24.459 0.662 -3.962 1.00 0.85 C ATOM 295 CG ARG A 19 23.283 -0.309 -4.132 1.00 1.31 C ATOM 296 CD ARG A 19 23.765 -1.570 -4.854 1.00 1.34 C ATOM 297 NE ARG A 19 24.753 -1.190 -5.904 1.00 1.50 N ATOM 298 CZ ARG A 19 25.515 -2.102 -6.446 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.413 -3.347 -6.067 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.377 -1.769 -7.366 1.00 1.89 N ATOM 0 H ARG A 19 26.075 2.472 -2.710 1.00 0.02 H new ATOM 0 HA ARG A 19 23.145 2.290 -3.354 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.756 1.057 -4.934 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.321 0.132 -3.556 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.869 -0.570 -3.158 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.484 0.166 -4.701 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.220 -2.259 -4.142 1.00 1.34 H new ATOM 0 HD3 ARG A 19 22.920 -2.090 -5.305 1.00 1.34 H new ATOM 0 HE ARG A 19 24.834 -0.217 -6.199 1.00 1.50 H new ATOM 0 HH11 ARG A 19 24.738 -3.608 -5.348 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.008 -4.059 -6.490 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.456 -0.796 -7.662 1.00 1.89 H new ATOM 0 HH22 ARG A 19 26.972 -2.481 -7.789 1.00 1.89 H new ATOM 314 N TYR A 20 22.665 0.869 -1.295 1.00 0.02 N ATOM 315 CA TYR A 20 22.385 0.256 0.045 1.00 0.02 C ATOM 316 C TYR A 20 21.480 -0.963 -0.140 1.00 0.02 C ATOM 317 O TYR A 20 20.481 -0.895 -0.821 1.00 0.02 O ATOM 318 CB TYR A 20 21.709 1.261 0.991 1.00 0.02 C ATOM 319 CG TYR A 20 21.934 0.804 2.419 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.248 -0.312 2.917 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.849 1.480 3.235 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.473 -0.746 4.228 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.075 1.042 4.546 1.00 0.02 C ATOM 324 CZ TYR A 20 22.388 -0.070 5.042 1.00 0.02 C ATOM 325 OH TYR A 20 22.614 -0.500 6.334 1.00 0.01 O ATOM 0 H TYR A 20 21.852 0.954 -1.906 1.00 0.02 H new ATOM 0 HA TYR A 20 23.333 -0.042 0.493 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.123 2.258 0.843 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.642 1.324 0.777 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.545 -0.838 2.288 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.381 2.339 2.854 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.940 -1.603 4.612 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.781 1.564 5.175 1.00 0.02 H new ATOM 0 HH TYR A 20 23.279 0.080 6.760 1.00 0.01 H new ATOM 335 N ASP A 21 21.813 -2.068 0.474 1.00 0.01 N ATOM 336 CA ASP A 21 20.969 -3.301 0.354 1.00 0.02 C ATOM 337 C ASP A 21 20.258 -3.538 1.690 1.00 0.00 C ATOM 338 O ASP A 21 20.842 -3.398 2.748 1.00 0.01 O ATOM 339 CB ASP A 21 21.880 -4.491 0.042 1.00 0.12 C ATOM 340 CG ASP A 21 23.006 -4.559 1.076 1.00 0.41 C ATOM 341 OD1 ASP A 21 23.572 -3.521 1.375 1.00 1.12 O ATOM 342 OD2 ASP A 21 23.283 -5.647 1.552 1.00 0.56 O ATOM 0 H ASP A 21 22.641 -2.173 1.060 1.00 0.01 H new ATOM 0 HA ASP A 21 20.232 -3.185 -0.441 1.00 0.02 H new ATOM 0 HB2 ASP A 21 21.304 -5.416 0.055 1.00 0.12 H new ATOM 0 HB3 ASP A 21 22.298 -4.390 -0.960 1.00 0.12 H new ATOM 347 N CYS A 22 18.986 -3.869 1.642 1.00 0.01 N ATOM 348 CA CYS A 22 18.202 -4.088 2.900 1.00 0.00 C ATOM 349 C CYS A 22 17.499 -5.447 2.850 1.00 0.02 C ATOM 350 O CYS A 22 16.955 -5.840 1.831 1.00 0.01 O ATOM 351 CB CYS A 22 17.158 -2.982 3.020 1.00 0.00 C ATOM 352 SG CYS A 22 16.021 -3.375 4.365 1.00 0.02 S ATOM 0 H CYS A 22 18.456 -3.997 0.780 1.00 0.01 H new ATOM 0 HA CYS A 22 18.873 -4.070 3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.645 -2.026 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.610 -2.881 2.083 1.00 0.00 H new ATOM 0 HG CYS A 22 15.802 -2.308 5.074 1.00 0.02 H new ATOM 358 N ASP A 23 17.514 -6.171 3.948 1.00 0.01 N ATOM 359 CA ASP A 23 16.862 -7.518 3.999 1.00 0.02 C ATOM 360 C ASP A 23 15.755 -7.548 5.068 1.00 0.00 C ATOM 361 O ASP A 23 15.242 -8.599 5.399 1.00 0.02 O ATOM 362 CB ASP A 23 17.923 -8.569 4.340 1.00 0.16 C ATOM 363 CG ASP A 23 17.311 -9.967 4.226 1.00 0.17 C ATOM 364 OD1 ASP A 23 17.350 -10.520 3.139 1.00 0.20 O ATOM 365 OD2 ASP A 23 16.811 -10.458 5.226 1.00 0.17 O ATOM 0 H ASP A 23 17.956 -5.880 4.820 1.00 0.01 H new ATOM 0 HA ASP A 23 16.413 -7.731 3.029 1.00 0.02 H new ATOM 0 HB2 ASP A 23 18.773 -8.476 3.664 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.300 -8.407 5.350 1.00 0.16 H new ATOM 370 N CYS A 24 15.372 -6.416 5.612 1.00 0.01 N ATOM 371 CA CYS A 24 14.291 -6.417 6.650 1.00 0.01 C ATOM 372 C CYS A 24 13.684 -5.009 6.751 1.00 0.01 C ATOM 373 O CYS A 24 14.157 -4.084 6.129 1.00 0.01 O ATOM 374 CB CYS A 24 14.880 -6.821 8.003 1.00 0.62 C ATOM 375 SG CYS A 24 13.537 -7.191 9.160 1.00 1.23 S ATOM 0 H CYS A 24 15.757 -5.499 5.385 1.00 0.01 H new ATOM 0 HA CYS A 24 13.515 -7.129 6.369 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.524 -7.693 7.886 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.502 -6.016 8.396 1.00 0.62 H new ATOM 0 HG CYS A 24 13.072 -6.082 9.654 1.00 1.23 H new ATOM 381 N ASP A 25 12.637 -4.827 7.516 1.00 0.02 N ATOM 382 CA ASP A 25 12.017 -3.469 7.627 1.00 0.01 C ATOM 383 C ASP A 25 12.997 -2.469 8.250 1.00 0.02 C ATOM 384 O ASP A 25 13.772 -2.804 9.125 1.00 0.00 O ATOM 385 CB ASP A 25 10.776 -3.560 8.518 1.00 0.01 C ATOM 386 CG ASP A 25 11.169 -4.108 9.890 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.936 -5.055 9.928 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.698 -3.571 10.878 1.00 0.01 O ATOM 0 H ASP A 25 12.185 -5.557 8.067 1.00 0.02 H new ATOM 0 HA ASP A 25 11.752 -3.126 6.627 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.320 -2.576 8.625 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.031 -4.208 8.056 1.00 0.01 H new ATOM 393 N CYS A 26 12.940 -1.227 7.821 1.00 0.01 N ATOM 394 CA CYS A 26 13.834 -0.170 8.396 1.00 0.01 C ATOM 395 C CYS A 26 13.000 1.095 8.666 1.00 0.01 C ATOM 396 O CYS A 26 12.396 1.650 7.769 1.00 0.01 O ATOM 397 CB CYS A 26 14.968 0.138 7.415 1.00 0.01 C ATOM 398 SG CYS A 26 15.459 -1.386 6.575 1.00 0.02 S ATOM 0 H CYS A 26 12.307 -0.900 7.091 1.00 0.01 H new ATOM 0 HA CYS A 26 14.272 -0.520 9.331 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.643 0.880 6.686 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.819 0.565 7.946 1.00 0.01 H new ATOM 0 HG CYS A 26 16.670 -1.260 6.120 1.00 0.02 H new ATOM 404 N ALA A 27 12.930 1.519 9.904 1.00 0.01 N ATOM 405 CA ALA A 27 12.096 2.714 10.257 1.00 0.01 C ATOM 406 C ALA A 27 12.785 4.034 9.884 1.00 0.01 C ATOM 407 O ALA A 27 12.141 5.061 9.784 1.00 0.02 O ATOM 408 CB ALA A 27 11.812 2.704 11.760 1.00 0.24 C ATOM 0 H ALA A 27 13.416 1.088 10.690 1.00 0.01 H new ATOM 0 HA ALA A 27 11.169 2.650 9.687 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.206 3.571 12.022 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.274 1.793 12.023 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.753 2.741 12.308 1.00 0.24 H new ATOM 414 N ASP A 28 14.079 4.038 9.705 1.00 0.01 N ATOM 415 CA ASP A 28 14.775 5.322 9.362 1.00 0.02 C ATOM 416 C ASP A 28 16.066 5.027 8.597 1.00 0.01 C ATOM 417 O ASP A 28 17.038 4.560 9.157 1.00 0.02 O ATOM 418 CB ASP A 28 15.102 6.088 10.647 1.00 0.67 C ATOM 419 CG ASP A 28 16.012 5.233 11.531 1.00 0.90 C ATOM 420 OD1 ASP A 28 16.075 4.036 11.301 1.00 0.87 O ATOM 421 OD2 ASP A 28 16.632 5.790 12.422 1.00 1.14 O ATOM 0 H ASP A 28 14.683 3.219 9.779 1.00 0.01 H new ATOM 0 HA ASP A 28 14.120 5.927 8.736 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.592 7.031 10.406 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.184 6.333 11.181 1.00 0.67 H new ATOM 426 N PHE A 29 16.076 5.285 7.312 1.00 0.02 N ATOM 427 CA PHE A 29 17.287 5.018 6.470 1.00 0.02 C ATOM 428 C PHE A 29 18.031 6.335 6.175 1.00 0.00 C ATOM 429 O PHE A 29 18.941 6.381 5.372 1.00 0.02 O ATOM 430 CB PHE A 29 16.813 4.358 5.144 1.00 2.87 C ATOM 431 CG PHE A 29 17.388 2.961 4.992 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.293 2.050 6.049 1.00 4.68 C ATOM 433 CD2 PHE A 29 18.007 2.582 3.795 1.00 4.52 C ATOM 434 CE1 PHE A 29 17.820 0.762 5.912 1.00 5.85 C ATOM 435 CE2 PHE A 29 18.533 1.294 3.657 1.00 5.75 C ATOM 436 CZ PHE A 29 18.439 0.384 4.717 1.00 6.37 C ATOM 0 H PHE A 29 15.284 5.676 6.802 1.00 0.02 H new ATOM 0 HA PHE A 29 17.974 4.355 6.996 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.724 4.310 5.127 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.118 4.974 4.298 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.812 2.341 6.971 1.00 4.68 H new ATOM 0 HD2 PHE A 29 18.078 3.285 2.978 1.00 4.52 H new ATOM 0 HE1 PHE A 29 17.749 0.059 6.729 1.00 5.85 H new ATOM 0 HE2 PHE A 29 19.011 1.001 2.734 1.00 5.75 H new ATOM 0 HZ PHE A 29 18.845 -0.611 4.611 1.00 6.37 H new ATOM 446 N ARG A 30 17.604 7.409 6.781 1.00 0.01 N ATOM 447 CA ARG A 30 18.233 8.733 6.511 1.00 0.00 C ATOM 448 C ARG A 30 19.719 8.751 6.885 1.00 0.01 C ATOM 449 O ARG A 30 20.492 9.488 6.306 1.00 0.02 O ATOM 450 CB ARG A 30 17.513 9.816 7.318 1.00 0.32 C ATOM 451 CG ARG A 30 16.104 10.020 6.758 1.00 0.86 C ATOM 452 CD ARG A 30 15.424 11.175 7.495 1.00 1.62 C ATOM 453 NE ARG A 30 16.250 12.409 7.357 1.00 2.25 N ATOM 454 CZ ARG A 30 15.736 13.574 7.642 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.500 13.660 8.051 1.00 3.11 N ATOM 456 NH2 ARG A 30 16.459 14.653 7.520 1.00 3.02 N ATOM 0 H ARG A 30 16.840 7.426 7.457 1.00 0.01 H new ATOM 0 HA ARG A 30 18.146 8.923 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.460 9.527 8.368 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.072 10.750 7.272 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.153 10.235 5.690 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.520 9.107 6.873 1.00 0.86 H new ATOM 0 HD2 ARG A 30 14.428 11.344 7.087 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.299 10.925 8.548 1.00 1.62 H new ATOM 0 HE ARG A 30 17.217 12.342 7.040 1.00 2.25 H new ATOM 0 HH11 ARG A 30 13.935 12.816 8.148 1.00 3.11 H new ATOM 0 HH12 ARG A 30 14.099 14.571 8.274 1.00 3.11 H new ATOM 0 HH21 ARG A 30 17.426 14.586 7.202 1.00 3.02 H new ATOM 0 HH22 ARG A 30 16.057 15.564 7.743 1.00 3.02 H new ATOM 470 N SER A 31 20.139 7.982 7.855 1.00 0.02 N ATOM 471 CA SER A 31 21.578 8.016 8.256 1.00 0.02 C ATOM 472 C SER A 31 22.443 7.245 7.259 1.00 0.01 C ATOM 473 O SER A 31 23.649 7.383 7.239 1.00 0.02 O ATOM 474 CB SER A 31 21.726 7.384 9.640 1.00 0.37 C ATOM 475 OG SER A 31 23.080 7.485 10.059 1.00 0.88 O ATOM 0 H SER A 31 19.553 7.336 8.384 1.00 0.02 H new ATOM 0 HA SER A 31 21.910 9.054 8.273 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.074 7.887 10.354 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.419 6.338 9.610 1.00 0.37 H new ATOM 0 HG SER A 31 23.659 7.577 9.274 1.00 0.88 H new ATOM 481 N TYR A 32 21.840 6.410 6.456 1.00 0.01 N ATOM 482 CA TYR A 32 22.626 5.590 5.478 1.00 0.01 C ATOM 483 C TYR A 32 22.439 6.121 4.058 1.00 0.02 C ATOM 484 O TYR A 32 23.227 5.843 3.177 1.00 0.02 O ATOM 485 CB TYR A 32 22.118 4.151 5.535 1.00 0.02 C ATOM 486 CG TYR A 32 22.454 3.552 6.881 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.783 3.234 7.192 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.441 3.317 7.819 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.096 2.679 8.440 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.754 2.762 9.064 1.00 0.02 C ATOM 491 CZ TYR A 32 23.083 2.444 9.375 1.00 0.02 C ATOM 492 OH TYR A 32 23.390 1.897 10.604 1.00 0.02 O ATOM 0 H TYR A 32 20.832 6.257 6.432 1.00 0.01 H new ATOM 0 HA TYR A 32 23.684 5.641 5.737 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.040 4.128 5.373 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.573 3.562 4.739 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.565 3.417 6.470 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.417 3.565 7.581 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.120 2.433 8.680 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.972 2.579 9.786 1.00 0.02 H new ATOM 0 HH TYR A 32 22.571 1.801 11.133 1.00 0.02 H new ATOM 502 N LEU A 33 21.386 6.849 3.814 1.00 0.02 N ATOM 503 CA LEU A 33 21.135 7.354 2.428 1.00 0.02 C ATOM 504 C LEU A 33 20.397 8.696 2.494 1.00 0.02 C ATOM 505 O LEU A 33 19.385 8.832 3.154 1.00 0.02 O ATOM 506 CB LEU A 33 20.236 6.329 1.710 1.00 1.66 C ATOM 507 CG LEU A 33 20.420 6.430 0.182 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.647 5.623 -0.266 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.178 5.875 -0.520 1.00 2.80 C ATOM 0 H LEU A 33 20.689 7.117 4.508 1.00 0.02 H new ATOM 0 HA LEU A 33 22.078 7.488 1.899 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.481 5.322 2.046 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.192 6.506 1.970 1.00 1.66 H new ATOM 0 HG LEU A 33 20.564 7.478 -0.082 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.762 5.705 -1.347 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.538 6.014 0.224 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.513 4.576 0.006 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.308 5.946 -1.600 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.038 4.831 -0.240 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.303 6.452 -0.221 1.00 2.80 H new ATOM 521 N SER A 34 20.919 9.692 1.826 1.00 0.02 N ATOM 522 CA SER A 34 20.285 11.040 1.852 1.00 0.02 C ATOM 523 C SER A 34 19.212 11.165 0.767 1.00 0.00 C ATOM 524 O SER A 34 18.433 12.099 0.766 1.00 0.01 O ATOM 525 CB SER A 34 21.359 12.104 1.621 1.00 0.02 C ATOM 526 OG SER A 34 21.784 12.056 0.266 1.00 0.02 O ATOM 0 H SER A 34 21.765 9.626 1.259 1.00 0.02 H new ATOM 0 HA SER A 34 19.812 11.181 2.824 1.00 0.02 H new ATOM 0 HB2 SER A 34 20.964 13.093 1.855 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.206 11.933 2.286 1.00 0.02 H new ATOM 0 HG SER A 34 22.471 12.738 0.114 1.00 0.02 H new ATOM 532 N ARG A 35 19.154 10.244 -0.162 1.00 0.02 N ATOM 533 CA ARG A 35 18.129 10.317 -1.245 1.00 0.01 C ATOM 534 C ARG A 35 18.185 9.016 -2.056 1.00 0.02 C ATOM 535 O ARG A 35 19.159 8.288 -2.007 1.00 0.02 O ATOM 536 CB ARG A 35 18.428 11.504 -2.166 1.00 0.02 C ATOM 537 CG ARG A 35 19.863 11.398 -2.687 1.00 0.02 C ATOM 538 CD ARG A 35 20.224 12.669 -3.455 1.00 0.02 C ATOM 539 NE ARG A 35 19.046 13.116 -4.253 1.00 0.02 N ATOM 540 CZ ARG A 35 19.016 14.321 -4.753 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.016 15.135 -4.555 1.00 0.00 N ATOM 542 NH2 ARG A 35 17.983 14.711 -5.450 1.00 0.02 N ATOM 0 H ARG A 35 19.778 9.439 -0.216 1.00 0.02 H new ATOM 0 HA ARG A 35 17.139 10.449 -0.809 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.727 11.516 -3.001 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.295 12.441 -1.624 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.553 11.255 -1.855 1.00 0.02 H new ATOM 0 HG3 ARG A 35 19.962 10.528 -3.336 1.00 0.02 H new ATOM 0 HD2 ARG A 35 20.526 13.453 -2.761 1.00 0.02 H new ATOM 0 HD3 ARG A 35 21.073 12.481 -4.113 1.00 0.02 H new ATOM 0 HE ARG A 35 18.264 12.480 -4.408 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.822 14.830 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 35 19.992 16.077 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.201 14.074 -5.603 1.00 0.02 H new ATOM 0 HH22 ARG A 35 17.958 15.653 -5.841 1.00 0.02 H new ATOM 556 N CYS A 36 17.156 8.716 -2.808 1.00 0.02 N ATOM 557 CA CYS A 36 17.150 7.464 -3.630 1.00 0.02 C ATOM 558 C CYS A 36 16.437 7.742 -4.957 1.00 0.02 C ATOM 559 O CYS A 36 15.271 8.087 -4.958 1.00 0.02 O ATOM 560 CB CYS A 36 16.396 6.370 -2.874 1.00 0.02 C ATOM 561 SG CYS A 36 16.031 5.001 -3.997 1.00 0.02 S ATOM 0 H CYS A 36 16.315 9.287 -2.889 1.00 0.02 H new ATOM 0 HA CYS A 36 18.173 7.141 -3.820 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.994 6.016 -2.034 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.471 6.771 -2.460 1.00 0.02 H new ATOM 0 HG CYS A 36 17.032 4.826 -4.808 1.00 0.02 H new ATOM 567 N ASN A 37 17.110 7.637 -6.088 1.00 0.02 N ATOM 568 CA ASN A 37 16.429 7.945 -7.394 1.00 0.01 C ATOM 569 C ASN A 37 16.199 6.678 -8.228 1.00 0.02 C ATOM 570 O ASN A 37 15.644 6.725 -9.308 1.00 0.02 O ATOM 571 CB ASN A 37 17.284 8.924 -8.202 1.00 0.02 C ATOM 572 CG ASN A 37 17.347 10.269 -7.475 1.00 0.01 C ATOM 573 OD1 ASN A 37 16.599 11.256 -7.888 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 18.084 10.426 -6.522 1.00 0.02 N flip ATOM 0 H ASN A 37 18.088 7.355 -6.162 1.00 0.02 H new ATOM 0 HA ASN A 37 15.459 8.385 -7.165 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.289 8.523 -8.334 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.861 9.057 -9.198 1.00 0.02 H new ATOM 0 HD21 ASN A 37 18.669 9.656 -6.198 1.00 0.02 H new ATOM 0 HD22 ASN A 37 18.117 11.328 -6.046 1.00 0.02 H new ATOM 581 N SER A 38 16.602 5.542 -7.723 1.00 0.02 N ATOM 582 CA SER A 38 16.391 4.261 -8.464 1.00 0.02 C ATOM 583 C SER A 38 16.380 3.118 -7.451 1.00 0.01 C ATOM 584 O SER A 38 16.938 3.224 -6.375 1.00 0.02 O ATOM 585 CB SER A 38 17.502 4.042 -9.488 1.00 0.01 C ATOM 586 OG SER A 38 17.280 4.887 -10.608 1.00 0.02 O ATOM 0 H SER A 38 17.072 5.445 -6.823 1.00 0.02 H new ATOM 0 HA SER A 38 15.443 4.299 -9.001 1.00 0.02 H new ATOM 0 HB2 SER A 38 18.472 4.258 -9.041 1.00 0.01 H new ATOM 0 HB3 SER A 38 17.522 2.999 -9.803 1.00 0.01 H new ATOM 0 HG SER A 38 17.811 4.569 -11.368 1.00 0.02 H new ATOM 592 N ILE A 39 15.720 2.030 -7.768 1.00 0.02 N ATOM 593 CA ILE A 39 15.645 0.892 -6.796 1.00 0.02 C ATOM 594 C ILE A 39 15.633 -0.450 -7.530 1.00 0.02 C ATOM 595 O ILE A 39 15.052 -0.608 -8.587 1.00 0.02 O ATOM 596 CB ILE A 39 14.341 1.011 -5.999 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.193 2.443 -5.476 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.364 0.039 -4.819 1.00 0.01 C ATOM 599 CD1 ILE A 39 12.976 2.537 -4.555 1.00 0.00 C ATOM 0 H ILE A 39 15.233 1.880 -8.652 1.00 0.02 H new ATOM 0 HA ILE A 39 16.515 0.935 -6.141 1.00 0.02 H new ATOM 0 HB ILE A 39 13.500 0.769 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.093 2.737 -4.935 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.083 3.135 -6.311 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.435 0.128 -4.256 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.468 -0.981 -5.190 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.206 0.276 -4.169 1.00 0.01 H new ATOM 0 HD11 ILE A 39 12.877 3.558 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.078 2.262 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.104 1.858 -3.712 1.00 0.00 H new ATOM 611 N ARG A 40 16.231 -1.442 -6.920 1.00 0.02 N ATOM 612 CA ARG A 40 16.233 -2.820 -7.496 1.00 0.02 C ATOM 613 C ARG A 40 15.618 -3.758 -6.454 1.00 0.01 C ATOM 614 O ARG A 40 16.112 -3.865 -5.351 1.00 0.02 O ATOM 615 CB ARG A 40 17.657 -3.288 -7.814 1.00 0.01 C ATOM 616 CG ARG A 40 17.601 -4.535 -8.699 1.00 0.02 C ATOM 617 CD ARG A 40 19.023 -5.006 -9.015 1.00 0.02 C ATOM 618 NE ARG A 40 19.606 -5.666 -7.813 1.00 0.02 N ATOM 619 CZ ARG A 40 20.680 -6.398 -7.925 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.240 -6.557 -9.092 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.192 -6.974 -6.872 1.00 0.02 N ATOM 0 H ARG A 40 16.726 -1.353 -6.033 1.00 0.02 H new ATOM 0 HA ARG A 40 15.663 -2.825 -8.425 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.207 -2.495 -8.320 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.193 -3.508 -6.891 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.049 -5.327 -8.194 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.067 -4.314 -9.623 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.009 -5.701 -9.854 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.640 -4.159 -9.313 1.00 0.02 H new ATOM 0 HE ARG A 40 19.165 -5.545 -6.901 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.838 -6.109 -9.916 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.080 -7.129 -9.181 1.00 0.02 H new ATOM 0 HH21 ARG A 40 20.752 -6.852 -5.960 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.032 -7.546 -6.961 1.00 0.02 H new ATOM 635 N VAL A 41 14.583 -4.476 -6.803 1.00 0.02 N ATOM 636 CA VAL A 41 13.985 -5.450 -5.843 1.00 0.01 C ATOM 637 C VAL A 41 14.397 -6.841 -6.310 1.00 0.02 C ATOM 638 O VAL A 41 14.019 -7.278 -7.377 1.00 0.02 O ATOM 639 CB VAL A 41 12.466 -5.308 -5.823 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.894 -6.211 -4.727 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.106 -3.853 -5.508 1.00 0.00 C ATOM 0 H VAL A 41 14.125 -4.430 -7.713 1.00 0.02 H new ATOM 0 HA VAL A 41 14.337 -5.269 -4.827 1.00 0.01 H new ATOM 0 HB VAL A 41 12.054 -5.593 -6.791 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.808 -6.115 -4.706 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.163 -7.247 -4.932 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.303 -5.914 -3.761 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.022 -3.742 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.514 -3.580 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.526 -3.200 -6.273 1.00 0.00 H new ATOM 651 N GLU A 42 15.202 -7.521 -5.534 1.00 0.01 N ATOM 652 CA GLU A 42 15.678 -8.871 -5.949 1.00 0.01 C ATOM 653 C GLU A 42 14.658 -9.929 -5.553 1.00 0.02 C ATOM 654 O GLU A 42 14.481 -10.912 -6.246 1.00 0.01 O ATOM 655 CB GLU A 42 17.022 -9.174 -5.277 1.00 0.99 C ATOM 656 CG GLU A 42 17.724 -10.316 -6.018 1.00 1.86 C ATOM 657 CD GLU A 42 19.037 -10.659 -5.308 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.108 -10.456 -4.107 1.00 3.67 O ATOM 659 OE2 GLU A 42 19.948 -11.117 -5.978 1.00 3.81 O ATOM 0 H GLU A 42 15.549 -7.198 -4.631 1.00 0.01 H new ATOM 0 HA GLU A 42 15.803 -8.885 -7.032 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.651 -8.284 -5.282 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.864 -9.447 -4.234 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.077 -11.193 -6.052 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.922 -10.026 -7.050 1.00 1.86 H new ATOM 666 N GLY A 43 13.986 -9.761 -4.447 1.00 0.01 N ATOM 667 CA GLY A 43 12.997 -10.799 -4.050 1.00 0.02 C ATOM 668 C GLY A 43 12.027 -10.251 -3.011 1.00 0.02 C ATOM 669 O GLY A 43 12.389 -9.421 -2.200 1.00 0.02 O ATOM 0 H GLY A 43 14.076 -8.967 -3.813 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.445 -11.137 -4.927 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.517 -11.668 -3.647 1.00 0.02 H new ATOM 673 N GLY A 44 10.813 -10.735 -3.011 1.00 0.00 N ATOM 674 CA GLY A 44 9.819 -10.261 -2.005 1.00 0.01 C ATOM 675 C GLY A 44 9.128 -8.987 -2.502 1.00 0.01 C ATOM 676 O GLY A 44 9.514 -8.399 -3.492 1.00 0.01 O ATOM 0 H GLY A 44 10.467 -11.438 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.077 -11.038 -1.822 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.317 -10.066 -1.055 1.00 0.01 H new ATOM 680 N THR A 45 8.121 -8.552 -1.789 1.00 0.01 N ATOM 681 CA THR A 45 7.390 -7.297 -2.157 1.00 0.00 C ATOM 682 C THR A 45 7.555 -6.309 -1.002 1.00 0.01 C ATOM 683 O THR A 45 7.478 -6.692 0.145 1.00 0.01 O ATOM 684 CB THR A 45 5.903 -7.626 -2.356 1.00 0.73 C ATOM 685 OG1 THR A 45 5.755 -8.440 -3.511 1.00 0.88 O ATOM 686 CG2 THR A 45 5.095 -6.335 -2.532 1.00 1.48 C ATOM 0 H THR A 45 7.767 -9.019 -0.954 1.00 0.01 H new ATOM 0 HA THR A 45 7.784 -6.868 -3.079 1.00 0.00 H new ATOM 0 HB THR A 45 5.533 -8.157 -1.479 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.808 -8.654 -3.641 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.042 -6.581 -2.672 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.207 -5.712 -1.645 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.460 -5.793 -3.404 1.00 1.48 H new ATOM 694 N TRP A 46 7.862 -5.060 -1.277 1.00 0.02 N ATOM 695 CA TRP A 46 8.110 -4.085 -0.157 1.00 0.01 C ATOM 696 C TRP A 46 7.260 -2.823 -0.287 1.00 0.01 C ATOM 697 O TRP A 46 6.885 -2.394 -1.359 1.00 0.01 O ATOM 698 CB TRP A 46 9.585 -3.680 -0.180 1.00 0.00 C ATOM 699 CG TRP A 46 10.435 -4.878 0.093 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.629 -5.904 -0.767 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.207 -5.191 1.286 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.471 -6.829 -0.175 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.855 -6.434 1.090 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.409 -4.525 2.509 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.673 -6.997 2.072 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.230 -5.087 3.499 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.860 -6.320 3.281 1.00 0.01 C ATOM 0 H TRP A 46 7.951 -4.675 -2.217 1.00 0.02 H new ATOM 0 HA TRP A 46 7.841 -4.576 0.778 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.841 -3.253 -1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.773 -2.909 0.568 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.198 -5.988 -1.754 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.771 -7.697 -0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.929 -3.574 2.687 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.157 -7.947 1.899 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.377 -4.567 4.434 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.490 -6.747 4.047 1.00 0.01 H new ATOM 718 N ALA A 47 7.018 -2.199 0.838 1.00 0.01 N ATOM 719 CA ALA A 47 6.267 -0.912 0.882 1.00 0.01 C ATOM 720 C ALA A 47 7.301 0.150 1.247 1.00 0.01 C ATOM 721 O ALA A 47 8.078 -0.026 2.165 1.00 0.01 O ATOM 722 CB ALA A 47 5.168 -0.979 1.946 1.00 0.24 C ATOM 0 H ALA A 47 7.319 -2.540 1.751 1.00 0.01 H new ATOM 0 HA ALA A 47 5.780 -0.690 -0.068 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.626 -0.034 1.969 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.477 -1.787 1.705 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.617 -1.164 2.922 1.00 0.24 H new ATOM 728 N VAL A 48 7.304 1.260 0.550 1.00 0.01 N ATOM 729 CA VAL A 48 8.274 2.358 0.864 1.00 0.02 C ATOM 730 C VAL A 48 7.502 3.620 1.250 1.00 0.01 C ATOM 731 O VAL A 48 6.444 3.891 0.714 1.00 0.01 O ATOM 732 CB VAL A 48 9.157 2.642 -0.352 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.816 1.344 -0.819 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.301 3.214 -1.484 1.00 0.65 C ATOM 0 H VAL A 48 6.673 1.455 -0.227 1.00 0.01 H new ATOM 0 HA VAL A 48 8.909 2.051 1.695 1.00 0.02 H new ATOM 0 HB VAL A 48 9.927 3.363 -0.079 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.445 1.547 -1.686 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.427 0.936 -0.014 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.046 0.622 -1.091 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.931 3.416 -2.350 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.530 2.494 -1.757 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.832 4.140 -1.153 1.00 0.65 H new ATOM 744 N TYR A 49 8.024 4.383 2.183 1.00 0.01 N ATOM 745 CA TYR A 49 7.326 5.635 2.629 1.00 0.01 C ATOM 746 C TYR A 49 8.229 6.849 2.395 1.00 0.01 C ATOM 747 O TYR A 49 9.442 6.779 2.473 1.00 0.02 O ATOM 748 CB TYR A 49 6.983 5.520 4.116 1.00 0.01 C ATOM 749 CG TYR A 49 5.888 4.490 4.299 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.163 3.134 4.087 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.601 4.891 4.685 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.152 2.179 4.259 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.591 3.936 4.857 1.00 0.01 C ATOM 754 CZ TYR A 49 3.867 2.581 4.644 1.00 0.02 C ATOM 755 OH TYR A 49 2.873 1.638 4.814 1.00 0.01 O ATOM 0 H TYR A 49 8.907 4.192 2.657 1.00 0.01 H new ATOM 0 HA TYR A 49 6.409 5.763 2.053 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.868 5.232 4.684 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.657 6.486 4.502 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.154 2.824 3.791 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.388 5.937 4.850 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.364 1.133 4.095 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.600 4.245 5.154 1.00 0.01 H new ATOM 0 HH TYR A 49 2.042 2.083 5.083 1.00 0.01 H new ATOM 765 N GLU A 50 7.623 7.954 2.047 1.00 0.01 N ATOM 766 CA GLU A 50 8.389 9.194 1.726 1.00 0.01 C ATOM 767 C GLU A 50 9.103 9.761 2.957 1.00 0.01 C ATOM 768 O GLU A 50 10.162 10.344 2.832 1.00 0.02 O ATOM 769 CB GLU A 50 7.411 10.241 1.192 1.00 0.02 C ATOM 770 CG GLU A 50 8.195 11.395 0.565 1.00 0.01 C ATOM 771 CD GLU A 50 7.224 12.480 0.101 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.187 12.628 0.727 1.00 0.01 O ATOM 773 OE2 GLU A 50 7.534 13.149 -0.872 1.00 0.02 O ATOM 0 H GLU A 50 6.610 8.050 1.970 1.00 0.01 H new ATOM 0 HA GLU A 50 9.149 8.946 0.985 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.749 9.792 0.452 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.781 10.612 2.000 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.898 11.807 1.289 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.782 11.033 -0.279 1.00 0.01 H new ATOM 780 N ARG A 51 8.532 9.635 4.134 1.00 0.02 N ATOM 781 CA ARG A 51 9.191 10.214 5.355 1.00 0.02 C ATOM 782 C ARG A 51 9.412 9.101 6.397 1.00 0.01 C ATOM 783 O ARG A 51 8.748 8.080 6.361 1.00 0.02 O ATOM 784 CB ARG A 51 8.249 11.297 5.934 1.00 0.02 C ATOM 785 CG ARG A 51 8.646 12.683 5.412 1.00 0.01 C ATOM 786 CD ARG A 51 7.564 13.698 5.785 1.00 0.02 C ATOM 787 NE ARG A 51 7.952 15.044 5.277 1.00 0.02 N ATOM 788 CZ ARG A 51 7.065 15.997 5.213 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.837 15.772 5.594 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.404 17.175 4.766 1.00 0.01 N ATOM 0 H ARG A 51 7.645 9.160 4.303 1.00 0.02 H new ATOM 0 HA ARG A 51 10.157 10.650 5.100 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.218 11.078 5.656 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.295 11.284 7.023 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.603 12.983 5.838 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.774 12.653 4.330 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.606 13.398 5.359 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.436 13.729 6.867 1.00 0.02 H new ATOM 0 HE ARG A 51 8.912 15.220 4.979 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.572 14.851 5.942 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.143 16.518 5.544 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.363 17.350 4.467 1.00 0.01 H new ATOM 0 HH22 ARG A 51 6.710 17.921 4.716 1.00 0.01 H new ATOM 804 N PRO A 52 10.343 9.296 7.322 1.00 0.02 N ATOM 805 CA PRO A 52 10.633 8.270 8.365 1.00 0.02 C ATOM 806 C PRO A 52 9.378 7.831 9.125 1.00 0.01 C ATOM 807 O PRO A 52 8.352 8.480 9.105 1.00 0.02 O ATOM 808 CB PRO A 52 11.638 8.993 9.291 1.00 0.02 C ATOM 809 CG PRO A 52 11.827 10.433 8.775 1.00 0.01 C ATOM 810 CD PRO A 52 11.170 10.539 7.390 1.00 0.01 C ATOM 0 HA PRO A 52 11.021 7.343 7.943 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.269 9.003 10.317 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.592 8.465 9.301 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.376 11.146 9.465 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.887 10.678 8.712 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.559 11.437 7.299 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.912 10.576 6.592 1.00 0.01 H new ATOM 818 N ASN A 53 9.497 6.730 9.822 1.00 0.02 N ATOM 819 CA ASN A 53 8.367 6.208 10.640 1.00 0.02 C ATOM 820 C ASN A 53 7.179 5.815 9.762 1.00 0.01 C ATOM 821 O ASN A 53 6.031 5.976 10.128 1.00 0.01 O ATOM 822 CB ASN A 53 7.941 7.281 11.649 1.00 0.01 C ATOM 823 CG ASN A 53 7.146 6.634 12.787 1.00 0.02 C ATOM 824 OD1 ASN A 53 6.030 7.027 13.065 1.00 0.02 O ATOM 825 ND2 ASN A 53 7.678 5.649 13.458 1.00 0.01 N ATOM 0 H ASN A 53 10.344 6.163 9.858 1.00 0.02 H new ATOM 0 HA ASN A 53 8.701 5.313 11.165 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.820 7.787 12.049 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.334 8.039 11.154 1.00 0.01 H new ATOM 0 HD21 ASN A 53 7.157 5.208 14.216 1.00 0.01 H new ATOM 0 HD22 ASN A 53 8.615 5.320 13.224 1.00 0.01 H new ATOM 832 N PHE A 54 7.458 5.269 8.607 1.00 0.02 N ATOM 833 CA PHE A 54 6.373 4.823 7.691 1.00 0.01 C ATOM 834 C PHE A 54 5.281 5.888 7.579 1.00 0.01 C ATOM 835 O PHE A 54 4.107 5.620 7.752 1.00 0.02 O ATOM 836 CB PHE A 54 5.778 3.515 8.221 1.00 1.78 C ATOM 837 CG PHE A 54 6.893 2.632 8.738 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.865 2.149 7.853 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.959 2.298 10.096 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.900 1.332 8.326 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.994 1.482 10.569 1.00 3.32 C ATOM 842 CZ PHE A 54 8.963 0.999 9.684 1.00 3.39 C ATOM 0 H PHE A 54 8.404 5.112 8.258 1.00 0.02 H new ATOM 0 HA PHE A 54 6.791 4.664 6.697 1.00 0.01 H new ATOM 0 HB2 PHE A 54 5.064 3.723 9.018 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.231 3.004 7.429 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.817 2.407 6.805 1.00 2.53 H new ATOM 0 HD2 PHE A 54 6.211 2.670 10.780 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.649 0.959 7.643 1.00 3.03 H new ATOM 0 HE2 PHE A 54 8.044 1.226 11.617 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.761 0.369 10.049 1.00 3.39 H new ATOM 852 N SER A 55 5.680 7.102 7.290 1.00 0.02 N ATOM 853 CA SER A 55 4.697 8.227 7.155 1.00 0.02 C ATOM 854 C SER A 55 4.874 8.911 5.797 1.00 0.01 C ATOM 855 O SER A 55 5.870 8.727 5.125 1.00 0.01 O ATOM 856 CB SER A 55 4.951 9.244 8.268 1.00 1.90 C ATOM 857 OG SER A 55 4.116 10.377 8.066 1.00 2.33 O ATOM 0 H SER A 55 6.654 7.366 7.140 1.00 0.02 H new ATOM 0 HA SER A 55 3.683 7.835 7.230 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.747 8.796 9.240 1.00 1.90 H new ATOM 0 HB3 SER A 55 5.999 9.545 8.270 1.00 1.90 H new ATOM 0 HG SER A 55 4.274 11.031 8.778 1.00 2.33 H new ATOM 863 N GLY A 56 3.904 9.683 5.371 1.00 0.02 N ATOM 864 CA GLY A 56 4.006 10.362 4.044 1.00 0.02 C ATOM 865 C GLY A 56 3.442 9.447 2.948 1.00 0.02 C ATOM 866 O GLY A 56 2.695 8.530 3.224 1.00 0.00 O ATOM 0 H GLY A 56 3.045 9.872 5.887 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.456 11.303 4.063 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.046 10.605 3.828 1.00 0.02 H new ATOM 870 N HIS A 57 3.768 9.698 1.707 1.00 0.02 N ATOM 871 CA HIS A 57 3.219 8.850 0.604 1.00 0.02 C ATOM 872 C HIS A 57 3.737 7.415 0.732 1.00 0.01 C ATOM 873 O HIS A 57 4.894 7.195 1.031 1.00 0.01 O ATOM 874 CB HIS A 57 3.656 9.426 -0.745 1.00 0.00 C ATOM 875 CG HIS A 57 3.194 10.853 -0.852 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.899 11.903 -0.284 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.100 11.418 -1.457 1.00 0.01 C ATOM 878 CE1 HIS A 57 3.226 13.036 -0.557 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.121 12.797 -1.270 1.00 0.01 N ATOM 0 H HIS A 57 4.388 10.451 1.409 1.00 0.02 H new ATOM 0 HA HIS A 57 2.131 8.843 0.670 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.741 9.375 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.236 8.834 -1.559 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.769 11.830 0.244 1.00 0.01 H new ATOM 0 HD2 HIS A 57 1.338 10.875 -1.997 1.00 0.01 H new ATOM 0 HE1 HIS A 57 3.541 14.019 -0.239 1.00 0.02 H new ATOM 887 N MET A 58 2.885 6.439 0.497 1.00 0.02 N ATOM 888 CA MET A 58 3.306 5.000 0.593 1.00 0.02 C ATOM 889 C MET A 58 3.109 4.318 -0.766 1.00 0.01 C ATOM 890 O MET A 58 2.124 4.538 -1.442 1.00 0.01 O ATOM 891 CB MET A 58 2.445 4.295 1.647 1.00 2.61 C ATOM 892 CG MET A 58 0.962 4.370 1.256 1.00 3.46 C ATOM 893 SD MET A 58 0.564 3.005 0.135 1.00 4.50 S ATOM 894 CE MET A 58 0.053 1.811 1.395 1.00 5.01 C ATOM 0 H MET A 58 1.908 6.580 0.241 1.00 0.02 H new ATOM 0 HA MET A 58 4.357 4.943 0.877 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.752 3.253 1.740 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.596 4.760 2.621 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.337 4.317 2.147 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.750 5.324 0.774 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.240 0.878 0.914 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.883 1.623 2.076 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.792 2.212 1.954 1.00 5.01 H new ATOM 904 N TYR A 59 4.052 3.503 -1.175 1.00 0.02 N ATOM 905 CA TYR A 59 3.948 2.804 -2.501 1.00 0.01 C ATOM 906 C TYR A 59 4.337 1.326 -2.350 1.00 0.01 C ATOM 907 O TYR A 59 5.273 0.982 -1.658 1.00 0.02 O ATOM 908 CB TYR A 59 4.902 3.464 -3.499 1.00 0.01 C ATOM 909 CG TYR A 59 4.331 4.789 -3.945 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.364 4.828 -4.956 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.770 5.979 -3.349 1.00 0.01 C ATOM 912 CE1 TYR A 59 2.833 6.055 -5.371 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.240 7.205 -3.765 1.00 0.01 C ATOM 914 CZ TYR A 59 3.273 7.244 -4.776 1.00 0.01 C ATOM 915 OH TYR A 59 2.749 8.455 -5.183 1.00 0.01 O ATOM 0 H TYR A 59 4.897 3.289 -0.645 1.00 0.02 H new ATOM 0 HA TYR A 59 2.921 2.876 -2.858 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.879 3.614 -3.039 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.051 2.813 -4.360 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.027 3.911 -5.416 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.517 5.950 -2.569 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.085 6.085 -6.149 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.577 8.122 -3.306 1.00 0.01 H new ATOM 0 HH TYR A 59 2.184 8.822 -4.472 1.00 0.01 H new ATOM 925 N ILE A 60 3.617 0.455 -3.020 1.00 0.02 N ATOM 926 CA ILE A 60 3.919 -1.010 -2.967 1.00 0.01 C ATOM 927 C ILE A 60 4.833 -1.357 -4.150 1.00 0.01 C ATOM 928 O ILE A 60 4.564 -0.973 -5.272 1.00 0.01 O ATOM 929 CB ILE A 60 2.615 -1.808 -3.095 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.555 -1.252 -2.131 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.881 -3.282 -2.783 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.071 -1.269 -0.689 1.00 1.72 C ATOM 0 H ILE A 60 2.822 0.703 -3.609 1.00 0.02 H new ATOM 0 HA ILE A 60 4.403 -1.257 -2.022 1.00 0.01 H new ATOM 0 HB ILE A 60 2.242 -1.717 -4.115 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.295 -0.233 -2.417 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.644 -1.846 -2.203 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.953 -3.847 -2.875 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.616 -3.676 -3.485 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.264 -3.375 -1.767 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.305 -0.871 -0.024 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.307 -2.293 -0.399 1.00 1.72 H new ATOM 0 HD13 ILE A 60 2.969 -0.655 -0.617 1.00 1.72 H new ATOM 944 N LEU A 61 5.926 -2.048 -3.908 1.00 0.01 N ATOM 945 CA LEU A 61 6.881 -2.386 -5.022 1.00 0.01 C ATOM 946 C LEU A 61 7.064 -3.926 -5.152 1.00 0.01 C ATOM 947 O LEU A 61 7.678 -4.539 -4.298 1.00 0.00 O ATOM 948 CB LEU A 61 8.253 -1.731 -4.689 1.00 0.01 C ATOM 949 CG LEU A 61 8.597 -0.623 -5.701 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.731 0.241 -5.150 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.049 -1.253 -7.022 1.00 0.01 C ATOM 0 H LEU A 61 6.199 -2.393 -2.988 1.00 0.01 H new ATOM 0 HA LEU A 61 6.485 -2.012 -5.966 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.226 -1.313 -3.683 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.034 -2.491 -4.697 1.00 0.01 H new ATOM 0 HG LEU A 61 7.713 -0.008 -5.870 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.973 1.025 -5.868 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.419 0.694 -4.209 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.611 -0.379 -4.979 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.292 -0.466 -7.736 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.931 -1.870 -6.848 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.247 -1.872 -7.423 1.00 0.01 H new ATOM 963 N PRO A 62 6.582 -4.560 -6.217 1.00 0.02 N ATOM 964 CA PRO A 62 6.793 -6.027 -6.388 1.00 0.01 C ATOM 965 C PRO A 62 8.222 -6.313 -6.887 1.00 0.00 C ATOM 966 O PRO A 62 8.947 -5.411 -7.258 1.00 0.02 O ATOM 967 CB PRO A 62 5.744 -6.388 -7.449 1.00 1.47 C ATOM 968 CG PRO A 62 5.329 -5.088 -8.162 1.00 1.29 C ATOM 969 CD PRO A 62 5.795 -3.897 -7.302 1.00 0.82 C ATOM 0 HA PRO A 62 6.688 -6.602 -5.468 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.154 -7.102 -8.164 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.879 -6.862 -6.985 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.778 -5.039 -9.154 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.248 -5.058 -8.299 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.405 -3.198 -7.875 1.00 0.82 H new ATOM 0 HD3 PRO A 62 4.953 -3.332 -6.903 1.00 0.82 H new ATOM 977 N GLN A 63 8.634 -7.553 -6.894 1.00 0.02 N ATOM 978 CA GLN A 63 10.015 -7.881 -7.362 1.00 0.00 C ATOM 979 C GLN A 63 10.271 -7.288 -8.752 1.00 0.00 C ATOM 980 O GLN A 63 9.402 -7.293 -9.601 1.00 0.02 O ATOM 981 CB GLN A 63 10.172 -9.401 -7.427 1.00 1.27 C ATOM 982 CG GLN A 63 9.862 -10.005 -6.057 1.00 1.67 C ATOM 983 CD GLN A 63 9.932 -11.531 -6.147 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.847 -12.077 -6.732 1.00 4.25 O ATOM 985 NE2 GLN A 63 8.996 -12.245 -5.587 1.00 3.04 N ATOM 0 H GLN A 63 8.076 -8.353 -6.596 1.00 0.02 H new ATOM 0 HA GLN A 63 10.734 -7.455 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.500 -9.815 -8.179 1.00 1.27 H new ATOM 0 HB3 GLN A 63 11.187 -9.660 -7.729 1.00 1.27 H new ATOM 0 HG2 GLN A 63 10.574 -9.640 -5.317 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.871 -9.694 -5.726 1.00 1.67 H new ATOM 0 HE21 GLN A 63 8.229 -11.786 -5.096 1.00 3.04 H new ATOM 0 HE22 GLN A 63 9.031 -13.263 -5.639 1.00 3.04 H new ATOM 994 N GLY A 64 11.458 -6.783 -9.002 1.00 0.02 N ATOM 995 CA GLY A 64 11.743 -6.205 -10.354 1.00 0.01 C ATOM 996 C GLY A 64 12.859 -5.157 -10.278 1.00 0.02 C ATOM 997 O GLY A 64 13.433 -4.908 -9.235 1.00 0.02 O ATOM 0 H GLY A 64 12.231 -6.746 -8.338 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.032 -7.001 -11.040 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.838 -5.750 -10.757 1.00 0.01 H new ATOM 1001 N GLU A 65 13.172 -4.542 -11.393 1.00 0.02 N ATOM 1002 CA GLU A 65 14.253 -3.503 -11.429 1.00 0.02 C ATOM 1003 C GLU A 65 13.670 -2.165 -11.887 1.00 0.02 C ATOM 1004 O GLU A 65 12.975 -2.079 -12.881 1.00 0.02 O ATOM 1005 CB GLU A 65 15.329 -3.946 -12.422 1.00 0.77 C ATOM 1006 CG GLU A 65 16.431 -2.888 -12.490 1.00 0.49 C ATOM 1007 CD GLU A 65 17.619 -3.438 -13.281 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.871 -4.629 -13.180 1.00 0.96 O ATOM 1009 OE2 GLU A 65 18.256 -2.663 -13.975 1.00 0.71 O ATOM 0 H GLU A 65 12.720 -4.717 -12.291 1.00 0.02 H new ATOM 0 HA GLU A 65 14.682 -3.387 -10.434 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.749 -4.904 -12.115 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.890 -4.092 -13.409 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.052 -1.983 -12.965 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.747 -2.612 -11.484 1.00 0.49 H new ATOM 1016 N TYR A 66 13.970 -1.113 -11.162 1.00 0.02 N ATOM 1017 CA TYR A 66 13.474 0.249 -11.520 1.00 0.02 C ATOM 1018 C TYR A 66 14.698 1.168 -11.711 1.00 0.02 C ATOM 1019 O TYR A 66 15.261 1.638 -10.739 1.00 0.02 O ATOM 1020 CB TYR A 66 12.625 0.767 -10.359 1.00 0.01 C ATOM 1021 CG TYR A 66 11.427 -0.138 -10.193 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.555 -1.349 -9.502 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.193 0.229 -10.739 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.446 -2.191 -9.357 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.084 -0.614 -10.597 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.210 -1.823 -9.905 1.00 0.02 C ATOM 1027 OH TYR A 66 8.117 -2.654 -9.763 1.00 0.01 O ATOM 0 H TYR A 66 14.548 -1.145 -10.323 1.00 0.02 H new ATOM 0 HA TYR A 66 12.879 0.226 -12.433 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.213 0.788 -9.441 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.302 1.790 -10.554 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.508 -1.633 -9.081 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.095 1.164 -11.271 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.543 -3.124 -8.823 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.132 -0.331 -11.021 1.00 0.02 H new ATOM 0 HH TYR A 66 7.339 -2.249 -10.201 1.00 0.01 H new ATOM 1037 N PRO A 67 15.142 1.407 -12.936 1.00 0.01 N ATOM 1038 CA PRO A 67 16.345 2.260 -13.160 1.00 0.02 C ATOM 1039 C PRO A 67 16.112 3.754 -12.876 1.00 0.02 C ATOM 1040 O PRO A 67 17.035 4.544 -12.944 1.00 0.02 O ATOM 1041 CB PRO A 67 16.667 2.011 -14.648 1.00 0.02 C ATOM 1042 CG PRO A 67 15.481 1.256 -15.283 1.00 0.02 C ATOM 1043 CD PRO A 67 14.501 0.852 -14.165 1.00 0.01 C ATOM 0 HA PRO A 67 17.156 2.003 -12.478 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.834 2.957 -15.163 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.583 1.429 -14.745 1.00 0.02 H new ATOM 0 HG2 PRO A 67 14.979 1.888 -16.016 1.00 0.02 H new ATOM 0 HG3 PRO A 67 15.835 0.372 -15.813 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.509 1.273 -14.327 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.382 -0.230 -14.104 1.00 0.01 H new ATOM 1051 N GLU A 68 14.915 4.155 -12.540 1.00 0.01 N ATOM 1052 CA GLU A 68 14.682 5.601 -12.243 1.00 0.01 C ATOM 1053 C GLU A 68 13.435 5.714 -11.368 1.00 0.03 C ATOM 1054 O GLU A 68 12.581 4.852 -11.353 1.00 0.02 O ATOM 1055 CB GLU A 68 14.458 6.381 -13.544 1.00 0.69 C ATOM 1056 CG GLU A 68 15.764 6.466 -14.338 1.00 1.09 C ATOM 1057 CD GLU A 68 15.629 7.532 -15.428 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.716 8.702 -15.096 1.00 2.02 O ATOM 1059 OE2 GLU A 68 15.437 7.161 -16.575 1.00 1.55 O ATOM 0 H GLU A 68 14.096 3.553 -12.458 1.00 0.01 H new ATOM 0 HA GLU A 68 15.551 6.016 -11.732 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.690 5.891 -14.143 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.095 7.384 -13.318 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.591 6.713 -13.673 1.00 1.09 H new ATOM 0 HG3 GLU A 68 15.993 5.499 -14.786 1.00 1.09 H new ATOM 1066 N TYR A 69 13.354 6.765 -10.602 1.00 0.02 N ATOM 1067 CA TYR A 69 12.204 6.924 -9.674 1.00 0.02 C ATOM 1068 C TYR A 69 10.867 6.951 -10.421 1.00 0.01 C ATOM 1069 O TYR A 69 9.884 6.399 -9.969 1.00 0.01 O ATOM 1070 CB TYR A 69 12.389 8.196 -8.842 1.00 0.02 C ATOM 1071 CG TYR A 69 12.400 9.407 -9.747 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.568 9.759 -10.434 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.242 10.181 -9.894 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.577 10.883 -11.268 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.251 11.306 -10.728 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.420 11.657 -11.415 1.00 0.02 C ATOM 1077 OH TYR A 69 12.432 12.765 -12.237 1.00 0.01 O ATOM 0 H TYR A 69 14.037 7.522 -10.579 1.00 0.02 H new ATOM 0 HA TYR A 69 12.179 6.059 -9.011 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.584 8.284 -8.113 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.322 8.142 -8.282 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.462 9.163 -10.320 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.341 9.910 -9.364 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.478 11.153 -11.799 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.358 11.902 -10.841 1.00 0.02 H new ATOM 0 HH TYR A 69 13.072 12.625 -12.966 1.00 0.01 H new ATOM 1087 N GLN A 70 10.820 7.594 -11.558 1.00 0.01 N ATOM 1088 CA GLN A 70 9.552 7.658 -12.337 1.00 0.02 C ATOM 1089 C GLN A 70 9.084 6.243 -12.711 1.00 0.01 C ATOM 1090 O GLN A 70 7.918 6.002 -12.951 1.00 0.02 O ATOM 1091 CB GLN A 70 9.792 8.459 -13.618 1.00 0.01 C ATOM 1092 CG GLN A 70 10.312 9.853 -13.260 1.00 0.01 C ATOM 1093 CD GLN A 70 10.365 10.718 -14.519 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.985 10.283 -15.587 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.826 11.937 -14.441 1.00 0.02 N ATOM 0 H GLN A 70 11.611 8.080 -11.981 1.00 0.01 H new ATOM 0 HA GLN A 70 8.785 8.138 -11.729 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.512 7.943 -14.253 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.866 8.540 -14.187 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.663 10.315 -12.516 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.304 9.779 -12.815 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.146 12.305 -13.545 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.866 12.521 -15.276 1.00 0.02 H new ATOM 1104 N ARG A 71 9.997 5.304 -12.758 1.00 0.01 N ATOM 1105 CA ARG A 71 9.608 3.905 -13.113 1.00 0.02 C ATOM 1106 C ARG A 71 8.803 3.304 -11.958 1.00 0.01 C ATOM 1107 O ARG A 71 8.094 2.329 -12.112 1.00 0.02 O ATOM 1108 CB ARG A 71 10.864 3.060 -13.362 1.00 0.34 C ATOM 1109 CG ARG A 71 10.488 1.755 -14.092 1.00 0.72 C ATOM 1110 CD ARG A 71 10.441 1.985 -15.608 1.00 1.04 C ATOM 1111 NE ARG A 71 10.215 0.682 -16.295 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.854 0.660 -17.549 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.696 1.778 -18.203 1.00 2.54 N ATOM 1114 NH2 ARG A 71 9.655 -0.480 -18.150 1.00 3.42 N ATOM 0 H ARG A 71 10.989 5.445 -12.567 1.00 0.01 H new ATOM 0 HA ARG A 71 9.003 3.913 -14.020 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.580 3.626 -13.958 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.350 2.829 -12.414 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.215 0.977 -13.858 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.519 1.401 -13.741 1.00 0.72 H new ATOM 0 HD2 ARG A 71 9.643 2.684 -15.857 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.375 2.432 -15.949 1.00 1.04 H new ATOM 0 HE ARG A 71 10.342 -0.192 -15.785 1.00 1.67 H new ATOM 0 HH11 ARG A 71 9.855 2.670 -17.734 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.414 1.760 -19.183 1.00 2.54 H new ATOM 0 HH21 ARG A 71 9.781 -1.354 -17.640 1.00 3.42 H new ATOM 0 HH22 ARG A 71 9.373 -0.497 -19.130 1.00 3.42 H new ATOM 1128 N TRP A 72 8.920 3.896 -10.801 1.00 0.02 N ATOM 1129 CA TRP A 72 8.187 3.409 -9.594 1.00 0.01 C ATOM 1130 C TRP A 72 7.076 4.426 -9.290 1.00 0.01 C ATOM 1131 O TRP A 72 6.433 4.393 -8.264 1.00 0.02 O ATOM 1132 CB TRP A 72 9.218 3.284 -8.444 1.00 0.02 C ATOM 1133 CG TRP A 72 8.640 3.634 -7.106 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.644 2.966 -6.481 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.036 4.712 -6.210 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.391 3.580 -5.267 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.226 4.659 -5.054 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.007 5.726 -6.293 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.372 5.578 -4.015 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.159 6.651 -5.248 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.342 6.578 -4.112 1.00 0.02 C ATOM 0 H TRP A 72 9.505 4.715 -10.637 1.00 0.02 H new ATOM 0 HA TRP A 72 7.721 2.434 -9.736 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.600 2.264 -8.414 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.067 3.936 -8.650 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.131 2.097 -6.866 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.675 3.273 -4.609 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.639 5.793 -7.166 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.739 5.517 -3.142 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.910 7.424 -5.320 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.462 7.294 -3.313 1.00 0.02 H new ATOM 1152 N MET A 73 6.855 5.329 -10.205 1.00 0.02 N ATOM 1153 CA MET A 73 5.799 6.364 -10.020 1.00 0.02 C ATOM 1154 C MET A 73 6.096 7.215 -8.779 1.00 0.01 C ATOM 1155 O MET A 73 5.218 7.824 -8.202 1.00 0.02 O ATOM 1156 CB MET A 73 4.432 5.688 -9.865 1.00 0.02 C ATOM 1157 CG MET A 73 4.283 4.575 -10.905 1.00 0.01 C ATOM 1158 SD MET A 73 4.644 5.230 -12.555 1.00 0.01 S ATOM 1159 CE MET A 73 4.797 3.637 -13.402 1.00 0.01 C ATOM 0 H MET A 73 7.368 5.394 -11.084 1.00 0.02 H new ATOM 0 HA MET A 73 5.787 7.012 -10.897 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.332 5.276 -8.861 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.637 6.423 -9.989 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.961 3.754 -10.673 1.00 0.01 H new ATOM 0 HG3 MET A 73 3.271 4.171 -10.877 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.023 3.805 -14.455 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.600 3.058 -12.946 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.860 3.087 -13.315 1.00 0.01 H new ATOM 1169 N GLY A 74 7.336 7.253 -8.367 1.00 0.02 N ATOM 1170 CA GLY A 74 7.701 8.056 -7.168 1.00 0.02 C ATOM 1171 C GLY A 74 7.350 9.523 -7.412 1.00 0.01 C ATOM 1172 O GLY A 74 7.497 10.030 -8.506 1.00 0.01 O ATOM 0 H GLY A 74 8.111 6.761 -8.811 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.169 7.684 -6.292 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.766 7.955 -6.960 1.00 0.02 H new ATOM 1176 N LEU A 75 6.931 10.223 -6.393 1.00 0.02 N ATOM 1177 CA LEU A 75 6.624 11.670 -6.571 1.00 0.02 C ATOM 1178 C LEU A 75 7.951 12.441 -6.541 1.00 0.01 C ATOM 1179 O LEU A 75 8.109 13.455 -7.192 1.00 0.02 O ATOM 1180 CB LEU A 75 5.704 12.150 -5.444 1.00 0.55 C ATOM 1181 CG LEU A 75 4.572 11.140 -5.237 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.643 11.639 -4.129 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.778 10.984 -6.538 1.00 0.42 C ATOM 0 H LEU A 75 6.789 9.858 -5.451 1.00 0.02 H new ATOM 0 HA LEU A 75 6.114 11.839 -7.520 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.273 12.267 -4.522 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.291 13.128 -5.690 1.00 0.55 H new ATOM 0 HG LEU A 75 4.993 10.176 -4.953 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.836 10.921 -3.980 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.207 11.748 -3.203 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.223 12.604 -4.414 1.00 0.98 H new ATOM 0 HD21 LEU A 75 2.973 10.265 -6.389 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.356 11.947 -6.824 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.440 10.629 -7.328 1.00 0.42 H new ATOM 1195 N ASN A 76 8.916 11.941 -5.810 1.00 0.01 N ATOM 1196 CA ASN A 76 10.257 12.579 -5.731 1.00 0.02 C ATOM 1197 C ASN A 76 11.238 11.482 -5.306 1.00 0.02 C ATOM 1198 O ASN A 76 10.878 10.321 -5.267 1.00 0.02 O ATOM 1199 CB ASN A 76 10.240 13.708 -4.697 1.00 0.02 C ATOM 1200 CG ASN A 76 11.561 14.480 -4.761 1.00 0.02 C ATOM 1201 OD1 ASN A 76 12.192 14.761 -3.655 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 12.023 14.830 -5.830 1.00 0.02 N flip ATOM 0 H ASN A 76 8.822 11.093 -5.251 1.00 0.01 H new ATOM 0 HA ASN A 76 10.547 13.013 -6.688 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.404 14.380 -4.891 1.00 0.02 H new ATOM 0 HB3 ASN A 76 10.094 13.298 -3.698 1.00 0.02 H new ATOM 0 HD21 ASN A 76 11.530 14.610 -6.695 1.00 0.02 H new ATOM 0 HD22 ASN A 76 12.904 15.343 -5.861 1.00 0.02 H new ATOM 1209 N ASP A 77 12.468 11.809 -5.000 1.00 0.01 N ATOM 1210 CA ASP A 77 13.446 10.742 -4.598 1.00 0.01 C ATOM 1211 C ASP A 77 13.576 10.670 -3.073 1.00 0.01 C ATOM 1212 O ASP A 77 14.617 10.313 -2.558 1.00 0.01 O ATOM 1213 CB ASP A 77 14.818 11.067 -5.194 1.00 0.01 C ATOM 1214 CG ASP A 77 15.174 12.525 -4.895 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.293 12.859 -3.727 1.00 0.01 O ATOM 1216 OD2 ASP A 77 15.324 13.283 -5.838 1.00 0.02 O ATOM 0 H ASP A 77 12.839 12.759 -5.010 1.00 0.01 H new ATOM 0 HA ASP A 77 13.084 9.783 -4.969 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.575 10.404 -4.775 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.808 10.898 -6.271 1.00 0.01 H new ATOM 1221 N ARG A 78 12.547 11.021 -2.338 1.00 0.01 N ATOM 1222 CA ARG A 78 12.650 10.987 -0.842 1.00 0.01 C ATOM 1223 C ARG A 78 12.065 9.685 -0.278 1.00 0.02 C ATOM 1224 O ARG A 78 10.914 9.369 -0.490 1.00 0.02 O ATOM 1225 CB ARG A 78 11.898 12.185 -0.256 1.00 0.43 C ATOM 1226 CG ARG A 78 12.661 13.473 -0.572 1.00 0.80 C ATOM 1227 CD ARG A 78 11.787 14.680 -0.230 1.00 1.00 C ATOM 1228 NE ARG A 78 12.564 15.934 -0.450 1.00 1.30 N ATOM 1229 CZ ARG A 78 11.943 17.079 -0.519 1.00 2.30 C ATOM 1230 NH1 ARG A 78 10.646 17.125 -0.398 1.00 2.72 N ATOM 1231 NH2 ARG A 78 12.620 18.176 -0.709 1.00 3.20 N ATOM 0 H ARG A 78 11.646 11.328 -2.705 1.00 0.01 H new ATOM 0 HA ARG A 78 13.703 11.035 -0.565 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.892 12.235 -0.672 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.792 12.068 0.823 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.588 13.508 -0.000 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.935 13.496 -1.627 1.00 0.80 H new ATOM 0 HD2 ARG A 78 10.891 14.681 -0.850 1.00 1.00 H new ATOM 0 HD3 ARG A 78 11.457 14.621 0.807 1.00 1.00 H new ATOM 0 HE ARG A 78 13.579 15.896 -0.546 1.00 1.30 H new ATOM 0 HH11 ARG A 78 10.117 16.266 -0.249 1.00 2.72 H new ATOM 0 HH12 ARG A 78 10.160 18.020 -0.452 1.00 2.72 H new ATOM 0 HH21 ARG A 78 13.635 18.139 -0.804 1.00 3.20 H new ATOM 0 HH22 ARG A 78 12.135 19.072 -0.763 1.00 3.20 H new ATOM 1245 N LEU A 79 12.853 8.947 0.462 1.00 0.01 N ATOM 1246 CA LEU A 79 12.368 7.672 1.085 1.00 0.01 C ATOM 1247 C LEU A 79 12.993 7.575 2.480 1.00 0.01 C ATOM 1248 O LEU A 79 14.199 7.575 2.618 1.00 0.02 O ATOM 1249 CB LEU A 79 12.826 6.477 0.243 1.00 1.04 C ATOM 1250 CG LEU A 79 12.075 6.456 -1.097 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.634 5.326 -1.968 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.565 6.233 -0.860 1.00 2.61 C ATOM 0 H LEU A 79 13.826 9.175 0.665 1.00 0.01 H new ATOM 0 HA LEU A 79 11.280 7.665 1.142 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.900 6.537 0.066 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.644 5.549 0.785 1.00 1.04 H new ATOM 0 HG LEU A 79 12.212 7.413 -1.601 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.105 5.305 -2.921 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.696 5.495 -2.146 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.499 4.372 -1.458 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.044 6.220 -1.818 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.413 5.281 -0.352 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.170 7.040 -0.243 1.00 2.61 H new ATOM 1264 N GLY A 80 12.192 7.537 3.522 1.00 0.02 N ATOM 1265 CA GLY A 80 12.752 7.495 4.915 1.00 0.02 C ATOM 1266 C GLY A 80 12.573 6.123 5.580 1.00 0.02 C ATOM 1267 O GLY A 80 13.247 5.818 6.543 1.00 0.01 O ATOM 0 H GLY A 80 11.173 7.533 3.468 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.813 7.745 4.884 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.263 8.256 5.523 1.00 0.02 H new ATOM 1271 N SER A 81 11.690 5.285 5.100 1.00 0.01 N ATOM 1272 CA SER A 81 11.518 3.949 5.755 1.00 0.01 C ATOM 1273 C SER A 81 10.934 2.946 4.769 1.00 0.02 C ATOM 1274 O SER A 81 10.287 3.301 3.802 1.00 0.01 O ATOM 1275 CB SER A 81 10.576 4.075 6.949 1.00 0.01 C ATOM 1276 OG SER A 81 11.002 5.144 7.770 1.00 0.01 O ATOM 0 H SER A 81 11.088 5.462 4.296 1.00 0.01 H new ATOM 0 HA SER A 81 12.495 3.600 6.089 1.00 0.01 H new ATOM 0 HB2 SER A 81 9.556 4.249 6.605 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.566 3.146 7.519 1.00 0.01 H new ATOM 0 HG SER A 81 10.888 4.899 8.712 1.00 0.01 H new ATOM 1282 N CYS A 82 11.163 1.683 5.019 1.00 0.02 N ATOM 1283 CA CYS A 82 10.627 0.623 4.113 1.00 0.01 C ATOM 1284 C CYS A 82 10.234 -0.610 4.934 1.00 0.01 C ATOM 1285 O CYS A 82 10.846 -0.920 5.936 1.00 0.01 O ATOM 1286 CB CYS A 82 11.694 0.235 3.088 1.00 0.01 C ATOM 1287 SG CYS A 82 12.415 1.732 2.370 1.00 0.02 S ATOM 0 H CYS A 82 11.700 1.339 5.815 1.00 0.02 H new ATOM 0 HA CYS A 82 9.748 1.006 3.594 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.471 -0.363 3.565 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.253 -0.381 2.304 1.00 0.01 H new ATOM 0 HG CYS A 82 11.655 2.752 2.638 1.00 0.02 H new ATOM 1293 N ARG A 83 9.222 -1.320 4.505 1.00 0.01 N ATOM 1294 CA ARG A 83 8.778 -2.544 5.247 1.00 0.01 C ATOM 1295 C ARG A 83 8.472 -3.655 4.244 1.00 0.01 C ATOM 1296 O ARG A 83 7.936 -3.418 3.180 1.00 0.01 O ATOM 1297 CB ARG A 83 7.494 -2.238 6.022 1.00 0.01 C ATOM 1298 CG ARG A 83 7.751 -1.102 7.015 1.00 0.01 C ATOM 1299 CD ARG A 83 6.607 -1.036 8.028 1.00 0.01 C ATOM 1300 NE ARG A 83 6.560 -2.304 8.809 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.871 -2.366 9.914 1.00 0.01 C ATOM 1302 NH1 ARG A 83 5.217 -1.318 10.337 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.834 -3.477 10.599 1.00 0.01 N ATOM 0 H ARG A 83 8.680 -1.105 3.668 1.00 0.01 H new ATOM 0 HA ARG A 83 9.567 -2.852 5.933 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.699 -1.958 5.331 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.157 -3.129 6.552 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.698 -1.264 7.531 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.835 -0.154 6.484 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.750 -0.189 8.699 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.660 -0.879 7.513 1.00 0.01 H new ATOM 0 HE ARG A 83 7.068 -3.125 8.479 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.245 -0.450 9.803 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.678 -1.368 11.202 1.00 0.01 H new ATOM 0 HH21 ARG A 83 6.344 -4.296 10.270 1.00 0.01 H new ATOM 0 HH22 ARG A 83 5.295 -3.525 11.464 1.00 0.01 H new ATOM 1317 N ALA A 84 8.811 -4.872 4.576 1.00 0.01 N ATOM 1318 CA ALA A 84 8.543 -6.001 3.646 1.00 0.01 C ATOM 1319 C ALA A 84 7.070 -6.398 3.744 1.00 0.01 C ATOM 1320 O ALA A 84 6.528 -6.585 4.815 1.00 0.00 O ATOM 1321 CB ALA A 84 9.411 -7.202 4.029 1.00 0.43 C ATOM 0 H ALA A 84 9.263 -5.131 5.453 1.00 0.01 H new ATOM 0 HA ALA A 84 8.777 -5.692 2.627 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.212 -8.027 3.346 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.463 -6.925 3.967 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.177 -7.510 5.048 1.00 0.43 H new ATOM 1327 N VAL A 85 6.432 -6.544 2.618 1.00 0.01 N ATOM 1328 CA VAL A 85 5.001 -6.951 2.598 1.00 0.01 C ATOM 1329 C VAL A 85 4.928 -8.475 2.528 1.00 0.01 C ATOM 1330 O VAL A 85 5.481 -9.083 1.632 1.00 0.01 O ATOM 1331 CB VAL A 85 4.309 -6.347 1.375 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.805 -6.588 1.471 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.573 -4.841 1.329 1.00 1.12 C ATOM 0 H VAL A 85 6.847 -6.397 1.698 1.00 0.01 H new ATOM 0 HA VAL A 85 4.501 -6.594 3.499 1.00 0.01 H new ATOM 0 HB VAL A 85 4.700 -6.815 0.472 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.311 -6.158 0.600 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.610 -7.660 1.506 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.418 -6.119 2.376 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.079 -4.412 0.457 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.182 -4.375 2.234 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.646 -4.662 1.264 1.00 1.12 H new ATOM 1343 N HIS A 86 4.250 -9.107 3.446 1.00 0.01 N ATOM 1344 CA HIS A 86 4.148 -10.594 3.404 1.00 0.01 C ATOM 1345 C HIS A 86 2.892 -10.975 2.626 1.00 0.01 C ATOM 1346 O HIS A 86 1.819 -10.455 2.861 1.00 0.00 O ATOM 1347 CB HIS A 86 4.043 -11.138 4.831 1.00 0.21 C ATOM 1348 CG HIS A 86 5.345 -10.909 5.551 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.554 -10.813 4.881 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.641 -10.755 6.883 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.514 -10.611 5.802 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.012 -10.568 7.039 1.00 1.71 N ATOM 0 H HIS A 86 3.763 -8.659 4.222 1.00 0.01 H new ATOM 0 HA HIS A 86 5.030 -11.014 2.921 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.230 -10.643 5.362 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.809 -12.202 4.810 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.920 -10.776 7.687 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.563 -10.497 5.569 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.523 -10.428 7.911 1.00 1.71 H new ATOM 1360 N LEU A 87 3.019 -11.883 1.695 1.00 0.01 N ATOM 1361 CA LEU A 87 1.840 -12.314 0.889 1.00 0.01 C ATOM 1362 C LEU A 87 1.274 -13.588 1.517 1.00 0.01 C ATOM 1363 O LEU A 87 2.010 -14.472 1.904 1.00 0.01 O ATOM 1364 CB LEU A 87 2.296 -12.604 -0.556 1.00 0.67 C ATOM 1365 CG LEU A 87 3.446 -11.670 -0.950 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.822 -11.920 -2.412 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.011 -10.211 -0.779 1.00 1.34 C ATOM 0 H LEU A 87 3.895 -12.348 1.457 1.00 0.01 H new ATOM 0 HA LEU A 87 1.078 -11.535 0.874 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.616 -13.642 -0.642 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.459 -12.471 -1.242 1.00 0.67 H new ATOM 0 HG LEU A 87 4.306 -11.866 -0.310 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.640 -11.257 -2.696 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.136 -12.957 -2.535 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.959 -11.724 -3.048 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.832 -9.551 -1.060 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.150 -10.011 -1.417 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.741 -10.031 0.262 1.00 1.34 H new ATOM 1379 N SER A 88 -0.029 -13.700 1.596 1.00 0.01 N ATOM 1380 CA SER A 88 -0.664 -14.924 2.168 1.00 0.01 C ATOM 1381 C SER A 88 -1.362 -15.686 1.045 1.00 0.01 C ATOM 1382 O SER A 88 -2.204 -15.130 0.370 1.00 0.01 O ATOM 1383 CB SER A 88 -1.696 -14.524 3.224 1.00 0.81 C ATOM 1384 OG SER A 88 -2.567 -13.542 2.680 1.00 1.08 O ATOM 0 H SER A 88 -0.686 -12.985 1.284 1.00 0.01 H new ATOM 0 HA SER A 88 0.098 -15.552 2.630 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.266 -15.397 3.541 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.195 -14.132 4.109 1.00 0.81 H new ATOM 0 HG SER A 88 -2.735 -13.741 1.735 1.00 1.08 H new ATOM 1390 N SER A 89 -1.086 -16.952 0.856 1.00 0.01 N ATOM 1391 CA SER A 89 -1.814 -17.721 -0.201 1.00 0.01 C ATOM 1392 C SER A 89 -2.845 -18.571 0.530 1.00 0.01 C ATOM 1393 O SER A 89 -3.225 -18.236 1.634 1.00 0.01 O ATOM 1394 CB SER A 89 -0.836 -18.626 -0.956 1.00 0.43 C ATOM 1395 OG SER A 89 -0.413 -19.678 -0.098 1.00 1.26 O ATOM 0 H SER A 89 -0.393 -17.484 1.383 1.00 0.01 H new ATOM 0 HA SER A 89 -2.283 -17.056 -0.927 1.00 0.01 H new ATOM 0 HB2 SER A 89 -1.314 -19.036 -1.845 1.00 0.43 H new ATOM 0 HB3 SER A 89 0.024 -18.049 -1.295 1.00 0.43 H new ATOM 0 HG SER A 89 0.212 -20.261 -0.578 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.286 -19.674 -0.017 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.267 -20.532 0.722 1.00 0.00 C ATOM 1403 C GLY A 90 -5.403 -21.011 -0.179 1.00 0.00 C ATOM 1404 O GLY A 90 -5.711 -22.186 -0.212 1.00 0.01 O ATOM 0 H GLY A 90 -3.013 -20.018 -0.937 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.749 -21.395 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.681 -19.970 1.559 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.038 -20.137 -0.918 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.140 -20.610 -1.798 1.00 0.00 C ATOM 1410 C GLY A 91 -7.799 -19.458 -2.567 1.00 0.00 C ATOM 1411 O GLY A 91 -7.288 -19.020 -3.578 1.00 0.01 O ATOM 0 H GLY A 91 -5.844 -19.136 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.750 -21.341 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.892 -21.120 -1.195 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.932 -18.972 -2.111 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.635 -17.854 -2.835 1.00 2.31 C ATOM 1417 C GLN A 92 -9.795 -16.636 -1.920 1.00 1.91 C ATOM 1418 O GLN A 92 -10.384 -16.701 -0.860 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.001 -18.357 -3.304 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.617 -17.344 -4.270 1.00 2.86 C ATOM 1421 CD GLN A 92 -12.921 -17.906 -4.839 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.601 -18.673 -4.188 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.302 -17.554 -6.037 1.00 4.43 N ATOM 0 H GLN A 92 -9.403 -19.300 -1.268 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.042 -17.546 -3.696 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.895 -19.324 -3.795 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.659 -18.505 -2.448 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.809 -16.404 -3.753 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -10.919 -17.126 -5.079 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.732 -16.910 -6.585 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.170 -17.923 -6.425 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.227 -15.527 -2.329 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.293 -14.292 -1.491 1.00 0.01 C ATOM 1434 C ALA A 93 -10.744 -13.798 -1.415 1.00 0.01 C ATOM 1435 O ALA A 93 -11.451 -13.801 -2.402 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.415 -13.212 -2.127 1.00 2.99 C ATOM 0 H ALA A 93 -8.720 -15.425 -3.208 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.937 -14.510 -0.484 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.457 -12.306 -1.522 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.385 -13.565 -2.181 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.777 -12.994 -3.132 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.217 -13.420 -0.234 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.664 -12.975 -0.101 1.00 0.01 C ATOM 1444 C LYS A 94 -12.820 -11.671 0.711 1.00 0.01 C ATOM 1445 O LYS A 94 -12.302 -11.523 1.832 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.469 -14.081 0.586 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.967 -13.801 0.433 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.774 -15.001 0.949 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.416 -15.289 2.414 1.00 5.23 C ATOM 1450 NZ LYS A 94 -14.188 -16.134 2.467 1.00 6.36 N ATOM 0 H LYS A 94 -10.676 -13.400 0.630 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.033 -12.781 -1.108 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.224 -15.048 0.148 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.205 -14.133 1.642 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.237 -12.903 0.988 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.206 -13.613 -0.614 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -16.841 -14.796 0.861 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.566 -15.879 0.337 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -15.251 -14.354 2.950 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -16.243 -15.798 2.909 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -14.376 -16.984 3.036 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -13.918 -16.416 1.503 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -13.412 -15.592 2.899 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.567 -10.726 0.142 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.820 -9.410 0.815 1.00 0.01 C ATOM 1466 C ILE A 95 -15.325 -9.064 0.780 1.00 0.01 C ATOM 1467 O ILE A 95 -15.990 -9.246 -0.223 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.026 -8.325 0.061 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.559 -6.924 0.403 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.165 -8.554 -1.447 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.559 -5.859 -0.059 1.00 1.09 C ATOM 0 H ILE A 95 -14.011 -10.824 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.505 -9.465 1.857 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.980 -8.389 0.361 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.523 -6.764 -0.080 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.723 -6.840 1.477 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.605 -7.789 -1.984 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.773 -9.538 -1.703 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.217 -8.498 -1.728 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.943 -4.869 0.186 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.605 -6.013 0.444 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.417 -5.936 -1.137 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.835 -8.491 1.860 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.270 -8.035 1.906 1.00 0.01 C ATOM 1485 C GLN A 96 -17.271 -6.545 2.278 1.00 0.01 C ATOM 1486 O GLN A 96 -16.510 -6.133 3.128 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.077 -8.860 2.923 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.210 -9.234 4.117 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.092 -9.862 5.198 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -19.151 -9.357 5.503 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -17.694 -10.951 5.796 1.00 2.05 N ATOM 0 H GLN A 96 -15.310 -8.320 2.717 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.745 -8.181 0.936 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.942 -8.288 3.259 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.458 -9.763 2.446 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.432 -9.934 3.812 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.707 -8.350 4.509 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -16.803 -11.377 5.540 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.274 -11.377 6.519 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.105 -5.726 1.669 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.117 -4.258 2.008 1.00 0.01 C ATOM 1502 C VAL A 97 -19.516 -3.810 2.460 1.00 0.01 C ATOM 1503 O VAL A 97 -20.526 -4.321 2.012 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.707 -3.461 0.770 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.352 -3.961 0.270 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.759 -3.647 -0.326 1.00 1.03 C ATOM 0 H VAL A 97 -18.776 -6.009 0.954 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.418 -4.080 2.825 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.632 -2.404 1.024 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.058 -3.394 -0.613 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.604 -3.829 1.052 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.426 -5.018 0.014 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.468 -3.079 -1.210 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.834 -4.704 -0.582 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.725 -3.291 0.032 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.569 -2.860 3.375 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.879 -2.359 3.913 1.00 0.01 C ATOM 1518 C PHE A 98 -21.047 -0.856 3.621 1.00 0.01 C ATOM 1519 O PHE A 98 -20.112 -0.065 3.728 1.00 0.01 O ATOM 1520 CB PHE A 98 -20.904 -2.584 5.435 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.336 -4.000 5.757 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.495 -5.077 5.445 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.568 -4.233 6.382 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.888 -6.383 5.756 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.958 -5.540 6.696 1.00 0.73 C ATOM 1526 CZ PHE A 98 -22.117 -6.614 6.384 1.00 0.69 C ATOM 0 H PHE A 98 -18.747 -2.407 3.775 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.694 -2.900 3.432 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -19.915 -2.396 5.852 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.587 -1.874 5.902 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.544 -4.899 4.965 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.217 -3.404 6.622 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -20.242 -7.214 5.511 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.907 -5.719 7.179 1.00 0.73 H new ATOM 0 HZ PHE A 98 -22.417 -7.622 6.628 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.249 -0.479 3.249 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.545 0.946 2.913 1.00 0.01 C ATOM 1538 C GLU A 99 -22.481 1.850 4.151 1.00 0.01 C ATOM 1539 O GLU A 99 -22.116 3.004 4.048 1.00 0.01 O ATOM 1540 CB GLU A 99 -23.946 1.038 2.304 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.192 2.463 1.805 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.506 2.510 1.025 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.508 2.077 1.565 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -25.489 2.978 -0.101 1.00 0.02 O ATOM 0 H GLU A 99 -23.046 -1.110 3.164 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.790 1.287 2.204 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.043 0.331 1.480 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.696 0.767 3.047 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.232 3.153 2.648 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.367 2.784 1.169 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.833 1.351 5.317 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.792 2.207 6.554 1.00 0.01 C ATOM 1553 C LYS A 100 -21.739 1.668 7.520 1.00 0.01 C ATOM 1554 O LYS A 100 -21.216 0.589 7.346 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.158 2.206 7.243 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.232 2.667 6.255 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.621 2.412 6.847 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.748 3.119 8.200 1.00 2.84 C ATOM 1559 NZ LYS A 100 -26.095 4.456 8.129 1.00 3.18 N ATOM 0 H LYS A 100 -23.146 0.392 5.466 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.537 3.227 6.266 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.391 1.206 7.609 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.140 2.866 8.110 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.108 3.728 6.037 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.125 2.133 5.311 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -27.389 2.774 6.164 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.783 1.341 6.970 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.799 3.230 8.466 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -26.283 2.517 8.981 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -26.507 5.082 8.850 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -25.074 4.353 8.301 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -26.248 4.867 7.186 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.417 2.426 8.528 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.382 1.989 9.508 1.00 0.01 C ATOM 1575 C GLY A 101 -20.883 0.815 10.357 1.00 0.00 C ATOM 1576 O GLY A 101 -22.055 0.481 10.368 1.00 0.01 O ATOM 0 H GLY A 101 -21.830 3.339 8.718 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.476 1.697 8.978 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.117 2.823 10.157 1.00 0.01 H new ATOM 1580 N ASP A 102 -19.976 0.212 11.086 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.319 -0.925 11.991 1.00 0.00 C ATOM 1582 C ASP A 102 -21.064 -2.031 11.247 1.00 0.00 C ATOM 1583 O ASP A 102 -21.970 -2.651 11.767 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.182 -0.408 13.143 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.496 0.794 13.797 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.298 1.783 13.111 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -20.182 0.707 14.974 1.00 0.01 O ATOM 0 H ASP A 102 -18.989 0.468 11.090 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.391 -1.348 12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.167 -0.121 12.773 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.335 -1.197 13.879 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.656 -2.303 10.042 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.288 -3.391 9.250 1.00 0.01 C ATOM 1594 C PHE A 103 -22.803 -3.219 9.195 1.00 0.00 C ATOM 1595 O PHE A 103 -23.550 -4.153 9.413 1.00 0.01 O ATOM 1596 CB PHE A 103 -20.950 -4.738 9.894 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.485 -4.754 10.277 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.504 -4.581 9.292 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.106 -4.942 11.614 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.151 -4.594 9.641 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.751 -4.956 11.963 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.773 -4.783 10.977 1.00 0.01 C ATOM 0 H PHE A 103 -19.901 -1.811 9.565 1.00 0.01 H new ATOM 0 HA PHE A 103 -20.903 -3.352 8.231 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.570 -4.899 10.776 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.166 -5.551 9.200 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.794 -4.437 8.262 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.861 -5.076 12.375 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.396 -4.458 8.881 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.460 -5.100 12.993 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.727 -4.795 11.246 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.263 -2.037 8.874 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.734 -1.784 8.762 1.00 0.01 C ATOM 1614 C ASN A 104 -25.031 -1.283 7.347 1.00 0.01 C ATOM 1615 O ASN A 104 -24.140 -0.896 6.618 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.153 -0.715 9.775 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.137 -1.313 11.182 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -24.095 -1.409 11.799 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -26.254 -1.720 11.718 1.00 2.38 N ATOM 0 H ASN A 104 -22.676 -1.225 8.682 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.286 -2.702 8.964 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.475 0.137 9.722 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.150 -0.344 9.537 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -26.253 -2.120 12.656 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -27.128 -1.639 11.199 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.274 -1.300 6.942 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.618 -0.832 5.566 1.00 0.01 C ATOM 1628 C GLY A 105 -26.593 -2.020 4.605 1.00 0.01 C ATOM 1629 O GLY A 105 -26.613 -3.161 5.021 1.00 0.01 O ATOM 0 H GLY A 105 -27.065 -1.617 7.503 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.605 -0.369 5.564 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -25.908 -0.072 5.240 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.540 -1.774 3.326 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.503 -2.903 2.355 1.00 0.01 C ATOM 1635 C GLN A 106 -25.100 -3.515 2.350 1.00 0.01 C ATOM 1636 O GLN A 106 -24.099 -2.828 2.463 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.836 -2.379 0.956 1.00 0.01 C ATOM 1638 CG GLN A 106 -26.914 -3.552 -0.024 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.580 -3.090 -1.320 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -27.373 -1.978 -1.759 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.377 -3.904 -1.956 1.00 0.01 N ATOM 0 H GLN A 106 -26.521 -0.842 2.911 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.232 -3.661 2.642 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.785 -1.842 0.973 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.075 -1.670 0.631 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -25.914 -3.933 -0.232 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -27.482 -4.371 0.417 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -28.551 -4.839 -1.587 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -28.826 -3.605 -2.822 1.00 0.01 H new ATOM 1650 N MET A 107 -25.032 -4.819 2.223 1.00 0.01 N ATOM 1651 CA MET A 107 -23.716 -5.532 2.211 1.00 0.01 C ATOM 1652 C MET A 107 -23.508 -6.211 0.857 1.00 0.01 C ATOM 1653 O MET A 107 -24.429 -6.735 0.261 1.00 0.01 O ATOM 1654 CB MET A 107 -23.713 -6.604 3.311 1.00 0.00 C ATOM 1655 CG MET A 107 -22.471 -7.499 3.184 1.00 0.01 C ATOM 1656 SD MET A 107 -22.800 -8.827 1.998 1.00 0.01 S ATOM 1657 CE MET A 107 -23.550 -9.991 3.162 1.00 0.01 C ATOM 0 H MET A 107 -25.845 -5.427 2.126 1.00 0.01 H new ATOM 0 HA MET A 107 -22.915 -4.813 2.385 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.727 -6.128 4.291 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.615 -7.211 3.238 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.616 -6.908 2.856 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.213 -7.921 4.155 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.835 -10.901 2.634 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.832 -10.236 3.945 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.435 -9.539 3.609 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.290 -6.222 0.385 1.00 0.01 N ATOM 1668 CA TYR A 108 -21.966 -6.885 -0.917 1.00 0.00 C ATOM 1669 C TYR A 108 -20.733 -7.771 -0.711 1.00 0.01 C ATOM 1670 O TYR A 108 -19.779 -7.390 -0.057 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.663 -5.823 -1.974 1.00 0.54 C ATOM 1672 CG TYR A 108 -22.955 -5.180 -2.429 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.806 -5.864 -3.309 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.300 -3.901 -1.977 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -24.998 -5.267 -3.735 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.493 -3.305 -2.404 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.342 -3.989 -3.284 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.517 -3.402 -3.706 1.00 2.48 O ATOM 0 H TYR A 108 -21.491 -5.793 0.853 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.811 -7.486 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -20.993 -5.067 -1.564 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.151 -6.276 -2.823 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.542 -6.851 -3.658 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.646 -3.374 -1.299 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.653 -5.794 -4.413 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.759 -2.318 -2.055 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.581 -2.497 -3.336 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.770 -8.968 -1.244 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.634 -9.933 -1.074 1.00 0.01 C ATOM 1690 C GLU A 109 -19.012 -10.248 -2.435 1.00 0.01 C ATOM 1691 O GLU A 109 -19.704 -10.499 -3.402 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.194 -11.215 -0.452 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.040 -12.100 0.018 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.600 -13.332 0.727 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.317 -13.157 1.698 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.305 -14.430 0.288 1.00 0.00 O ATOM 0 H GLU A 109 -21.549 -9.324 -1.798 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.865 -9.503 -0.433 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.844 -10.970 0.388 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.803 -11.750 -1.181 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.430 -12.403 -0.833 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.391 -11.542 0.693 1.00 0.01 H new ATOM 1703 N THR A 110 -17.702 -10.233 -2.529 1.00 0.01 N ATOM 1704 CA THR A 110 -17.058 -10.529 -3.844 1.00 0.00 C ATOM 1705 C THR A 110 -15.689 -11.190 -3.654 1.00 0.01 C ATOM 1706 O THR A 110 -14.973 -10.948 -2.690 1.00 0.01 O ATOM 1707 CB THR A 110 -16.880 -9.230 -4.636 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.320 -9.525 -5.908 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.947 -8.287 -3.877 1.00 1.69 C ATOM 0 H THR A 110 -17.061 -10.031 -1.762 1.00 0.01 H new ATOM 0 HA THR A 110 -17.705 -11.216 -4.389 1.00 0.00 H new ATOM 0 HB THR A 110 -17.850 -8.751 -4.765 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.207 -8.695 -6.416 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.823 -7.364 -4.444 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.376 -8.059 -2.901 1.00 1.69 H new ATOM 0 HG23 THR A 110 -14.976 -8.765 -3.744 1.00 1.69 H new ATOM 1717 N THR A 111 -15.341 -12.031 -4.599 1.00 0.00 N ATOM 1718 CA THR A 111 -14.037 -12.758 -4.572 1.00 0.01 C ATOM 1719 C THR A 111 -13.168 -12.304 -5.751 1.00 0.01 C ATOM 1720 O THR A 111 -12.139 -12.888 -6.030 1.00 0.01 O ATOM 1721 CB THR A 111 -14.295 -14.266 -4.685 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.225 -14.510 -5.729 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.860 -14.787 -3.361 1.00 0.01 C ATOM 0 H THR A 111 -15.924 -12.247 -5.408 1.00 0.00 H new ATOM 0 HA THR A 111 -13.521 -12.541 -3.637 1.00 0.01 H new ATOM 0 HB THR A 111 -13.360 -14.780 -4.907 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.389 -15.473 -5.803 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.044 -15.858 -3.440 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.144 -14.600 -2.561 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.795 -14.274 -3.138 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.599 -11.288 -6.468 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.827 -10.810 -7.668 1.00 0.01 C ATOM 1733 C GLU A 112 -12.444 -9.334 -7.523 1.00 0.01 C ATOM 1734 O GLU A 112 -13.003 -8.614 -6.721 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.696 -10.976 -8.918 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.014 -12.459 -9.124 1.00 1.61 C ATOM 1737 CD GLU A 112 -12.751 -13.197 -9.567 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -11.892 -12.563 -10.156 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -12.663 -14.386 -9.308 1.00 3.07 O ATOM 0 H GLU A 112 -14.454 -10.767 -6.274 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.915 -11.401 -7.751 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.619 -10.406 -8.811 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.177 -10.580 -9.790 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -14.395 -12.892 -8.199 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.796 -12.573 -9.875 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.507 -8.877 -8.314 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.094 -7.446 -8.256 1.00 0.01 C ATOM 1748 C ASP A 113 -12.229 -6.562 -8.792 1.00 0.00 C ATOM 1749 O ASP A 113 -13.030 -6.988 -9.599 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.847 -7.252 -9.127 1.00 0.01 C ATOM 1751 CG ASP A 113 -9.960 -8.121 -10.382 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.062 -8.537 -10.697 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -8.939 -8.357 -11.005 1.00 0.00 O ATOM 0 H ASP A 113 -11.008 -9.440 -9.002 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.875 -7.168 -7.225 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.745 -6.203 -9.406 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -8.953 -7.521 -8.565 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.279 -5.323 -8.362 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.334 -4.376 -8.854 1.00 0.01 C ATOM 1760 C CYS A 114 -12.650 -3.106 -9.408 1.00 0.01 C ATOM 1761 O CYS A 114 -12.045 -2.378 -8.646 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.227 -3.977 -7.680 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.426 -2.742 -8.232 1.00 0.01 S ATOM 0 H CYS A 114 -11.629 -4.923 -7.685 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.927 -4.854 -9.634 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.744 -4.853 -7.288 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.621 -3.575 -6.868 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.517 -2.855 -7.534 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.739 -2.803 -10.698 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.096 -1.564 -11.230 1.00 0.01 C ATOM 1771 C PRO A 115 -12.897 -0.305 -10.861 1.00 0.01 C ATOM 1772 O PRO A 115 -12.334 0.755 -10.657 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.107 -1.817 -12.747 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.149 -2.914 -13.029 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.451 -3.644 -11.708 1.00 0.01 C ATOM 0 HA PRO A 115 -11.101 -1.382 -10.825 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.358 -0.903 -13.286 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.121 -2.129 -13.090 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.060 -2.477 -13.438 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.770 -3.615 -13.773 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.522 -3.696 -11.510 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.079 -4.668 -11.717 1.00 0.01 H new ATOM 1783 N SER A 116 -14.200 -0.408 -10.791 1.00 0.01 N ATOM 1784 CA SER A 116 -15.040 0.783 -10.448 1.00 0.02 C ATOM 1785 C SER A 116 -16.195 0.338 -9.552 1.00 0.01 C ATOM 1786 O SER A 116 -17.115 -0.335 -9.980 1.00 0.00 O ATOM 1787 CB SER A 116 -15.587 1.407 -11.733 1.00 0.01 C ATOM 1788 OG SER A 116 -16.085 0.380 -12.579 1.00 0.01 O ATOM 0 H SER A 116 -14.722 -1.269 -10.957 1.00 0.01 H new ATOM 0 HA SER A 116 -14.438 1.523 -9.922 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.380 2.116 -11.497 1.00 0.01 H new ATOM 0 HB3 SER A 116 -14.802 1.965 -12.243 1.00 0.01 H new ATOM 0 HG SER A 116 -16.546 0.782 -13.345 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.129 0.693 -8.297 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.184 0.284 -7.330 1.00 0.01 C ATOM 1796 C ILE A 117 -18.529 0.913 -7.689 1.00 0.01 C ATOM 1797 O ILE A 117 -19.558 0.284 -7.561 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.768 0.733 -5.931 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.521 -0.044 -5.512 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.896 0.462 -4.934 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.925 0.586 -4.257 1.00 1.83 C ATOM 0 H ILE A 117 -15.378 1.256 -7.897 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.295 -0.800 -7.365 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.557 1.802 -5.942 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.776 -1.087 -5.322 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.788 -0.037 -6.318 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.588 0.786 -3.940 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.788 1.012 -5.235 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.117 -0.605 -4.916 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.035 0.031 -3.959 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.655 1.622 -4.463 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.659 0.556 -3.451 1.00 1.83 H new ATOM 1813 N MET A 118 -18.543 2.151 -8.103 1.00 0.02 N ATOM 1814 CA MET A 118 -19.848 2.790 -8.423 1.00 0.01 C ATOM 1815 C MET A 118 -20.467 2.115 -9.642 1.00 0.01 C ATOM 1816 O MET A 118 -21.659 1.925 -9.711 1.00 0.02 O ATOM 1817 CB MET A 118 -19.658 4.284 -8.696 1.00 0.24 C ATOM 1818 CG MET A 118 -21.024 4.973 -8.724 1.00 0.63 C ATOM 1819 SD MET A 118 -20.814 6.706 -9.200 1.00 1.20 S ATOM 1820 CE MET A 118 -22.568 7.095 -9.413 1.00 1.34 C ATOM 0 H MET A 118 -17.720 2.739 -8.232 1.00 0.02 H new ATOM 0 HA MET A 118 -20.515 2.674 -7.569 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.030 4.729 -7.924 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.146 4.429 -9.647 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.684 4.468 -9.430 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.496 4.908 -7.744 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.676 8.137 -9.713 1.00 1.34 H new ATOM 0 HE2 MET A 118 -22.993 6.450 -10.182 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.094 6.932 -8.472 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.683 1.736 -10.605 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.269 1.071 -11.798 1.00 0.02 C ATOM 1832 C GLU A 119 -20.778 -0.323 -11.418 1.00 0.02 C ATOM 1833 O GLU A 119 -21.781 -0.786 -11.922 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.201 0.942 -12.885 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.865 0.549 -14.208 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.817 0.525 -15.321 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -17.660 0.289 -15.015 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -19.189 0.743 -16.464 1.00 2.07 O ATOM 0 H GLU A 119 -18.670 1.855 -10.620 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.101 1.669 -12.170 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.667 1.886 -13.000 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.464 0.192 -12.599 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.333 -0.431 -14.114 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.656 1.258 -14.454 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.061 -1.016 -10.575 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.467 -2.406 -10.211 1.00 0.01 C ATOM 1847 C GLN A 120 -21.577 -2.435 -9.154 1.00 0.01 C ATOM 1848 O GLN A 120 -22.521 -3.194 -9.264 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.248 -3.156 -9.671 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.549 -4.655 -9.614 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.561 -5.228 -11.034 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -20.471 -5.941 -11.408 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -18.581 -4.943 -11.846 1.00 2.08 N ATOM 0 H GLN A 120 -19.211 -0.680 -10.122 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.856 -2.881 -11.112 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.384 -2.973 -10.310 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.994 -2.788 -8.677 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.798 -5.165 -9.011 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.512 -4.825 -9.134 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -17.817 -4.345 -11.533 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -18.579 -5.319 -12.794 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.435 -1.674 -8.095 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.444 -1.723 -6.982 1.00 0.01 C ATOM 1864 C PHE A 121 -23.266 -0.438 -6.872 1.00 0.01 C ATOM 1865 O PHE A 121 -24.139 -0.331 -6.033 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.698 -1.957 -5.667 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.916 -3.245 -5.758 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.534 -4.461 -5.444 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.574 -3.223 -6.153 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.808 -5.656 -5.527 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.849 -4.418 -6.236 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.466 -5.634 -5.923 1.00 0.01 C ATOM 0 H PHE A 121 -20.665 -1.020 -7.951 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.142 -2.532 -7.197 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.025 -1.124 -5.464 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.405 -2.005 -4.839 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.570 -4.478 -5.138 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.097 -2.284 -6.394 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.284 -6.595 -5.285 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.813 -4.401 -6.542 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.907 -6.556 -5.987 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.008 0.538 -7.693 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.786 1.807 -7.605 1.00 0.01 C ATOM 1884 C HIS A 122 -23.574 2.449 -6.228 1.00 0.01 C ATOM 1885 O HIS A 122 -24.466 3.068 -5.682 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.272 1.504 -7.832 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.407 0.431 -8.876 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -24.937 0.595 -10.170 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.957 -0.826 -8.834 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.208 -0.534 -10.847 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.830 -1.435 -10.079 1.00 0.01 N ATOM 0 H HIS A 122 -22.294 0.515 -8.421 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.444 2.505 -8.369 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.735 1.181 -6.900 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.794 2.406 -8.152 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -26.418 -1.274 -7.966 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -24.954 -0.694 -11.885 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -26.144 -2.368 -10.348 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.393 2.304 -5.665 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.107 2.906 -4.314 1.00 0.01 C ATOM 1901 C LEU A 123 -21.055 4.007 -4.462 1.00 0.02 C ATOM 1902 O LEU A 123 -20.082 3.857 -5.172 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.570 1.827 -3.370 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.487 0.605 -3.400 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -21.885 -0.501 -2.532 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.875 0.982 -2.862 1.00 0.01 C ATOM 0 H LEU A 123 -21.614 1.795 -6.082 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.027 3.323 -3.905 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -20.561 1.542 -3.666 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -21.506 2.219 -2.355 1.00 0.01 H new ATOM 0 HG LEU A 123 -22.585 0.252 -4.427 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -22.537 -1.374 -2.551 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -20.903 -0.773 -2.919 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.786 -0.145 -1.507 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -24.524 0.107 -2.886 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -23.783 1.338 -1.836 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -24.304 1.769 -3.482 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.254 5.124 -3.807 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.275 6.247 -3.916 1.00 0.00 C ATOM 1920 C ARG A 124 -19.204 6.154 -2.820 1.00 0.01 C ATOM 1921 O ARG A 124 -18.134 6.714 -2.943 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.017 7.577 -3.774 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.130 7.653 -4.820 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.928 8.943 -4.622 1.00 2.92 C ATOM 1925 NE ARG A 124 -23.711 8.851 -3.357 1.00 3.54 N ATOM 1926 CZ ARG A 124 -24.229 9.927 -2.830 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -24.066 11.082 -3.414 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -24.910 9.847 -1.720 1.00 5.32 N ATOM 0 H ARG A 124 -22.054 5.306 -3.201 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.786 6.184 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.438 7.666 -2.772 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.324 8.408 -3.904 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.704 7.627 -5.823 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.788 6.788 -4.730 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -22.254 9.799 -4.584 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.598 9.103 -5.467 1.00 2.92 H new ATOM 0 HE ARG A 124 -23.842 7.947 -2.903 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.534 11.144 -4.282 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -24.471 11.923 -3.003 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -25.038 8.944 -1.264 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -25.315 10.688 -1.308 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.489 5.476 -1.733 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.488 5.381 -0.622 1.00 0.01 C ATOM 1944 C GLU A 125 -18.630 4.040 0.107 1.00 0.01 C ATOM 1945 O GLU A 125 -19.629 3.360 -0.013 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.744 6.509 0.380 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.488 7.858 -0.294 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.430 8.957 0.768 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.105 8.817 1.775 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.709 9.919 0.557 1.00 0.01 O ATOM 0 H GLU A 125 -20.368 4.986 -1.567 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.485 5.461 -1.042 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.771 6.461 0.743 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.093 6.394 1.247 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.552 7.826 -0.851 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.279 8.073 -1.012 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.637 3.667 0.879 1.00 0.01 N ATOM 1958 CA ILE A 126 -17.692 2.382 1.651 1.00 0.01 C ATOM 1959 C ILE A 126 -17.377 2.718 3.110 1.00 0.01 C ATOM 1960 O ILE A 126 -16.387 3.368 3.380 1.00 0.01 O ATOM 1961 CB ILE A 126 -16.604 1.434 1.132 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -16.743 1.233 -0.396 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.705 0.088 1.862 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -17.784 0.153 -0.721 1.00 1.70 C ATOM 0 H ILE A 126 -16.780 4.204 1.009 1.00 0.01 H new ATOM 0 HA ILE A 126 -18.670 1.912 1.548 1.00 0.01 H new ATOM 0 HB ILE A 126 -15.626 1.874 1.328 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -17.033 2.174 -0.864 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -15.778 0.951 -0.818 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -15.931 -0.585 1.493 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.570 0.244 2.932 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.686 -0.352 1.680 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.860 0.034 -1.802 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -17.480 -0.793 -0.272 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -18.753 0.449 -0.320 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.227 2.352 4.055 1.00 0.01 N ATOM 1977 CA HIS A 127 -17.954 2.756 5.484 1.00 0.01 C ATOM 1978 C HIS A 127 -17.471 1.594 6.358 1.00 0.01 C ATOM 1979 O HIS A 127 -16.912 1.814 7.414 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.217 3.372 6.094 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.451 4.740 5.510 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.401 5.890 6.279 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.740 5.153 4.233 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.654 6.932 5.468 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.867 6.539 4.209 1.00 0.02 N ATOM 0 H HIS A 127 -19.075 1.806 3.905 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.146 3.487 5.458 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.076 2.731 5.898 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.112 3.442 7.177 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.852 4.502 3.378 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.682 7.961 5.794 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.077 7.128 3.403 1.00 0.02 H new ATOM 1993 N SER A 128 -17.622 0.370 5.937 1.00 0.01 N ATOM 1994 CA SER A 128 -17.096 -0.758 6.773 1.00 0.01 C ATOM 1995 C SER A 128 -16.872 -1.957 5.857 1.00 0.01 C ATOM 1996 O SER A 128 -17.461 -2.060 4.803 1.00 0.01 O ATOM 1997 CB SER A 128 -18.092 -1.107 7.890 1.00 0.01 C ATOM 1998 OG SER A 128 -19.411 -0.860 7.440 1.00 0.01 O ATOM 0 H SER A 128 -18.078 0.099 5.066 1.00 0.01 H new ATOM 0 HA SER A 128 -16.158 -0.471 7.248 1.00 0.01 H new ATOM 0 HB2 SER A 128 -17.983 -2.154 8.175 1.00 0.01 H new ATOM 0 HB3 SER A 128 -17.882 -0.511 8.778 1.00 0.01 H new ATOM 0 HG SER A 128 -19.755 -0.047 7.865 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.002 -2.856 6.217 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.742 -4.006 5.316 1.00 0.01 C ATOM 2006 C CYS A 129 -15.039 -5.113 6.086 1.00 0.00 C ATOM 2007 O CYS A 129 -14.246 -4.863 6.973 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.845 -3.535 4.170 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.120 -4.953 3.312 1.00 1.22 S ATOM 0 H CYS A 129 -15.467 -2.844 7.085 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.684 -4.389 4.923 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.425 -2.935 3.469 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.054 -2.894 4.559 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.049 -5.825 3.054 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.316 -6.344 5.740 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.659 -7.489 6.432 1.00 0.01 C ATOM 2017 C LYS A 130 -13.915 -8.325 5.392 1.00 0.01 C ATOM 2018 O LYS A 130 -14.491 -8.980 4.553 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.713 -8.351 7.165 1.00 0.55 C ATOM 2020 CG LYS A 130 -16.957 -7.507 7.469 1.00 0.80 C ATOM 2021 CD LYS A 130 -17.970 -8.337 8.274 1.00 0.29 C ATOM 2022 CE LYS A 130 -17.392 -8.699 9.654 1.00 0.33 C ATOM 2023 NZ LYS A 130 -16.679 -10.007 9.564 1.00 1.41 N ATOM 0 H LYS A 130 -15.972 -6.605 5.004 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.955 -7.116 7.176 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -15.986 -9.208 6.550 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.294 -8.744 8.091 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -16.675 -6.617 8.031 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -17.411 -7.165 6.539 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -18.895 -7.774 8.397 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -18.220 -9.246 7.728 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -16.706 -7.921 9.989 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -18.192 -8.758 10.392 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.151 -10.703 10.176 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -16.695 -10.344 8.580 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -15.693 -9.887 9.873 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.623 -8.296 5.471 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.764 -9.076 4.548 1.00 0.01 C ATOM 2039 C VAL A 131 -11.171 -10.180 5.383 1.00 0.01 C ATOM 2040 O VAL A 131 -10.464 -9.903 6.340 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.637 -8.186 4.013 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.786 -8.974 3.018 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.231 -6.961 3.316 1.00 0.01 C ATOM 0 H VAL A 131 -12.109 -7.746 6.159 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.328 -9.460 3.698 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.014 -7.861 4.846 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.986 -8.338 2.640 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.355 -9.842 3.516 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.410 -9.305 2.188 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.426 -6.332 2.938 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.860 -7.284 2.486 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.832 -6.393 4.027 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.369 -11.431 5.017 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.702 -12.512 5.809 1.00 0.01 C ATOM 2055 C VAL A 132 -10.348 -13.641 4.859 1.00 0.00 C ATOM 2056 O VAL A 132 -10.894 -14.721 4.941 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.665 -13.032 6.878 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.917 -13.969 7.825 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.234 -11.855 7.673 1.00 1.98 C ATOM 0 H VAL A 132 -11.943 -11.739 4.232 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.806 -12.127 6.295 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.480 -13.573 6.397 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.603 -14.340 8.587 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.513 -14.809 7.261 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.101 -13.427 8.304 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.920 -12.228 8.434 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.420 -11.312 8.153 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.769 -11.185 6.999 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.433 -13.413 3.977 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.019 -14.476 3.025 1.00 0.01 C ATOM 2071 C GLU A 133 -8.066 -13.819 2.027 1.00 0.01 C ATOM 2072 O GLU A 133 -8.499 -13.025 1.209 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.267 -15.083 2.321 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.458 -16.556 2.726 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.435 -17.425 1.991 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.466 -16.877 1.495 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.643 -18.626 1.934 1.00 0.00 O ATOM 0 H GLU A 133 -8.944 -12.525 3.869 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.520 -15.301 3.533 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.155 -14.510 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.152 -15.010 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.337 -16.666 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.469 -16.883 2.484 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.797 -14.121 2.085 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.836 -13.488 1.131 1.00 0.01 C ATOM 2086 C GLY A 134 -5.658 -12.006 1.485 1.00 0.01 C ATOM 2087 O GLY A 134 -6.169 -11.533 2.480 1.00 0.01 O ATOM 0 H GLY A 134 -6.383 -14.776 2.749 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.875 -14.000 1.174 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.204 -13.586 0.110 1.00 0.01 H new ATOM 2091 N THR A 135 -4.931 -11.269 0.673 1.00 0.01 N ATOM 2092 CA THR A 135 -4.707 -9.807 0.945 1.00 0.01 C ATOM 2093 C THR A 135 -5.423 -8.971 -0.124 1.00 0.01 C ATOM 2094 O THR A 135 -5.508 -9.363 -1.272 1.00 0.01 O ATOM 2095 CB THR A 135 -3.204 -9.510 0.905 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.505 -10.514 1.628 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.933 -8.142 1.533 1.00 2.30 C ATOM 0 H THR A 135 -4.480 -11.619 -0.172 1.00 0.01 H new ATOM 0 HA THR A 135 -5.104 -9.553 1.928 1.00 0.01 H new ATOM 0 HB THR A 135 -2.863 -9.504 -0.130 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.543 -10.326 1.602 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.864 -7.933 1.503 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.468 -7.373 0.976 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.274 -8.143 2.568 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.945 -7.827 0.251 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.679 -6.954 -0.727 1.00 0.01 C ATOM 2107 C TRP A 136 -6.156 -5.515 -0.655 1.00 0.01 C ATOM 2108 O TRP A 136 -5.815 -5.014 0.396 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.174 -6.966 -0.395 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.772 -8.272 -0.810 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.688 -9.425 -0.107 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.546 -8.579 -2.006 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.362 -10.418 -0.793 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.906 -9.946 -1.971 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.967 -7.814 -3.109 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.655 -10.533 -2.991 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.720 -8.402 -4.138 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.063 -9.759 -4.078 1.00 0.01 C ATOM 0 H TRP A 136 -5.895 -7.456 1.200 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.518 -7.339 -1.734 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.320 -6.811 0.674 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.677 -6.146 -0.907 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.177 -9.549 0.837 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.447 -11.381 -0.469 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.709 -6.767 -3.165 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.917 -11.579 -2.940 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -11.037 -7.805 -4.980 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.643 -10.206 -4.872 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.131 -4.829 -1.772 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.676 -3.401 -1.786 1.00 0.00 C ATOM 2131 C ILE A 137 -6.860 -2.542 -2.229 1.00 0.01 C ATOM 2132 O ILE A 137 -7.599 -2.912 -3.114 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.536 -3.220 -2.798 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.415 -4.221 -2.503 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.977 -1.794 -2.695 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.223 -3.939 -3.425 1.00 1.69 C ATOM 0 H ILE A 137 -6.408 -5.199 -2.681 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.322 -3.114 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.922 -3.392 -3.803 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.108 -4.143 -1.460 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.773 -5.239 -2.655 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.168 -1.668 -3.414 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.769 -1.076 -2.910 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.597 -1.624 -1.688 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.425 -4.651 -3.216 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.535 -4.039 -4.464 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.860 -2.926 -3.251 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.019 -1.380 -1.635 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.132 -0.451 -2.035 1.00 0.01 C ATOM 2150 C PHE A 138 -7.485 0.777 -2.689 1.00 0.01 C ATOM 2151 O PHE A 138 -6.454 1.237 -2.246 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.981 -0.081 -0.776 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.839 1.382 -0.347 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -9.230 2.422 -1.205 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.336 1.691 0.925 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -9.110 3.756 -0.797 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.221 3.027 1.332 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.606 4.057 0.472 1.00 2.49 C ATOM 0 H PHE A 138 -6.422 -1.032 -0.885 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.815 -0.914 -2.747 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.031 -0.290 -0.982 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.685 -0.724 0.053 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.625 2.192 -2.184 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.036 0.897 1.593 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -9.407 4.553 -1.463 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.834 3.260 2.313 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.515 5.086 0.787 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.088 1.313 -3.727 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.524 2.522 -4.410 1.00 0.01 C ATOM 2170 C TYR A 139 -8.567 3.643 -4.386 1.00 0.01 C ATOM 2171 O TYR A 139 -9.763 3.395 -4.446 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.176 2.175 -5.859 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.430 0.861 -5.899 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -7.140 -0.342 -5.987 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -5.033 0.845 -5.848 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.450 -1.560 -6.022 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.343 -0.373 -5.884 1.00 0.02 C ATOM 2178 CZ TYR A 139 -5.053 -1.576 -5.972 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.373 -2.777 -6.009 1.00 0.00 O ATOM 0 H TYR A 139 -8.955 0.960 -4.133 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.622 2.850 -3.893 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.085 2.107 -6.456 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.566 2.965 -6.297 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -8.219 -0.331 -6.028 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.485 1.773 -5.781 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.998 -2.488 -6.088 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.264 -0.384 -5.844 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.409 -2.608 -5.966 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.124 4.866 -4.234 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.072 6.015 -4.118 1.00 0.02 C ATOM 2191 C GLU A 140 -9.705 6.373 -5.468 1.00 0.01 C ATOM 2192 O GLU A 140 -10.821 6.853 -5.500 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.281 7.219 -3.608 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.240 8.375 -3.315 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.462 9.540 -2.701 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.792 9.320 -1.705 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -8.549 10.631 -3.235 1.00 0.01 O ATOM 0 H GLU A 140 -7.137 5.119 -4.185 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.878 5.740 -3.437 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.732 6.951 -2.705 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.544 7.524 -4.351 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.731 8.696 -4.234 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.024 8.047 -2.632 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.031 6.167 -6.579 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.638 6.526 -7.906 1.00 0.02 C ATOM 2206 C LEU A 141 -9.839 5.238 -8.732 1.00 0.01 C ATOM 2207 O LEU A 141 -9.126 4.266 -8.546 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.670 7.473 -8.646 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.870 8.927 -8.167 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.598 9.738 -8.434 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.041 9.583 -8.911 1.00 1.24 C ATOM 0 H LEU A 141 -8.093 5.769 -6.625 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.601 7.017 -7.765 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.640 7.163 -8.468 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.840 7.411 -9.721 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.087 8.910 -7.099 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.743 10.764 -8.095 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.762 9.292 -7.895 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.383 9.736 -9.503 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.167 10.607 -8.560 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.835 9.589 -9.981 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.954 9.019 -8.721 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.797 5.225 -9.646 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.057 4.014 -10.477 1.00 0.01 C ATOM 2225 C PRO A 142 -9.803 3.519 -11.209 1.00 0.01 C ATOM 2226 O PRO A 142 -8.800 4.196 -11.315 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.134 4.502 -11.473 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.367 6.005 -11.235 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.682 6.398 -9.916 1.00 0.01 C ATOM 0 HA PRO A 142 -11.370 3.159 -9.878 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.810 4.326 -12.499 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.061 3.947 -11.332 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.961 6.588 -12.062 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.434 6.221 -11.187 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.112 7.322 -10.015 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.404 6.554 -9.115 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.901 2.330 -11.733 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.777 1.726 -12.499 1.00 0.01 C ATOM 2239 C ASN A 143 -7.521 1.611 -11.634 1.00 0.01 C ATOM 2240 O ASN A 143 -6.409 1.656 -12.120 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.473 2.600 -13.717 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.781 2.983 -14.411 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -9.950 4.109 -14.836 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -10.718 2.086 -14.546 1.00 0.56 N ATOM 0 H ASN A 143 -10.730 1.740 -11.661 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.071 0.725 -12.814 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.936 3.497 -13.409 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.825 2.063 -14.410 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -11.594 2.329 -15.009 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -10.575 1.141 -14.189 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.702 1.425 -10.355 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.543 1.260 -9.433 1.00 0.02 C ATOM 2253 C TYR A 144 -5.605 2.473 -9.504 1.00 0.01 C ATOM 2254 O TYR A 144 -4.413 2.331 -9.691 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.774 -0.017 -9.818 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.740 -1.032 -10.394 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.837 -1.457 -9.635 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.544 -1.543 -11.685 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.735 -2.390 -10.162 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.445 -2.476 -12.214 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.541 -2.899 -11.452 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.429 -3.815 -11.972 1.00 0.01 O ATOM 0 H TYR A 144 -8.616 1.380 -9.904 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.915 1.180 -8.411 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.999 0.218 -10.547 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.273 -0.431 -8.943 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.990 -1.064 -8.641 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.698 -1.217 -12.272 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.579 -2.718 -9.574 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.294 -2.869 -13.209 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.149 -4.065 -12.877 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.138 3.663 -9.348 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.278 4.896 -9.399 1.00 0.01 C ATOM 2274 C ARG A 145 -5.476 5.716 -8.122 1.00 0.01 C ATOM 2275 O ARG A 145 -6.418 5.506 -7.384 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.684 5.755 -10.604 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.564 4.941 -11.904 1.00 0.02 C ATOM 2278 CD ARG A 145 -4.113 4.946 -12.402 1.00 0.01 C ATOM 2279 NE ARG A 145 -3.655 6.351 -12.598 1.00 0.01 N ATOM 2280 CZ ARG A 145 -2.382 6.611 -12.728 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -1.511 5.640 -12.690 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -1.981 7.840 -12.898 1.00 0.01 N ATOM 0 H ARG A 145 -7.130 3.836 -9.188 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.233 4.598 -9.489 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.708 6.107 -10.480 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.048 6.639 -10.660 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -5.893 3.916 -11.731 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.219 5.362 -12.667 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -3.469 4.440 -11.682 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -4.038 4.395 -13.339 1.00 0.01 H new ATOM 0 HE ARG A 145 -4.336 7.109 -12.631 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -1.825 4.678 -12.559 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -0.517 5.843 -12.792 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -2.662 8.599 -12.929 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -0.986 8.043 -12.999 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.587 6.636 -7.840 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.714 7.461 -6.602 1.00 0.02 C ATOM 2298 C GLY A 146 -4.001 6.767 -5.439 1.00 0.01 C ATOM 2299 O GLY A 146 -3.223 5.854 -5.624 1.00 0.02 O ATOM 0 H GLY A 146 -3.775 6.851 -8.418 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.283 8.449 -6.767 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.766 7.609 -6.359 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.263 7.205 -4.239 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.606 6.588 -3.050 1.00 0.01 C ATOM 2305 C ARG A 147 -4.125 5.162 -2.882 1.00 0.01 C ATOM 2306 O ARG A 147 -5.285 4.869 -3.112 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.945 7.412 -1.807 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.022 7.008 -0.656 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.505 7.663 0.639 1.00 0.01 C ATOM 2310 NE ARG A 147 -3.872 9.082 0.368 1.00 0.02 N ATOM 2311 CZ ARG A 147 -4.585 9.749 1.235 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.979 9.171 2.336 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -4.906 10.992 1.000 1.00 0.02 N ATOM 0 H ARG A 147 -4.907 7.968 -4.029 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.525 6.568 -3.186 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.832 8.475 -2.021 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.986 7.252 -1.525 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.013 5.924 -0.546 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.999 7.315 -0.872 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -4.365 7.122 1.034 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.723 7.616 1.397 1.00 0.01 H new ATOM 0 HE ARG A 147 -3.566 9.532 -0.495 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -4.730 8.199 2.519 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -5.536 9.691 3.014 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -4.600 11.444 0.138 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -5.463 11.512 1.678 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.241 4.267 -2.510 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.605 2.826 -2.347 1.00 0.01 C ATOM 2329 C GLN A 148 -3.371 2.406 -0.886 1.00 0.01 C ATOM 2330 O GLN A 148 -2.482 2.905 -0.224 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.684 2.002 -3.272 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.299 2.832 -4.508 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.863 1.903 -5.646 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -2.269 2.075 -6.777 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.045 0.918 -5.390 1.00 0.01 N ATOM 0 H GLN A 148 -2.264 4.480 -2.309 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.652 2.660 -2.602 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.786 1.702 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.190 1.087 -3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.146 3.439 -4.827 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.491 3.519 -4.258 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.703 0.773 -4.440 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.748 0.294 -6.140 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.158 1.484 -0.392 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.997 0.999 1.020 1.00 0.01 C ATOM 2346 C TYR A 149 -3.920 -0.536 1.015 1.00 0.01 C ATOM 2347 O TYR A 149 -4.596 -1.189 0.245 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.204 1.471 1.863 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.726 2.200 3.104 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.391 3.557 3.032 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.605 1.512 4.317 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.934 4.227 4.174 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.151 2.183 5.460 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.813 3.540 5.386 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.357 4.199 6.509 1.00 0.01 O ATOM 0 H TYR A 149 -4.915 1.039 -0.910 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.083 1.403 1.455 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.837 2.129 1.268 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.814 0.614 2.149 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.485 4.087 2.096 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.862 0.464 4.372 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.675 5.274 4.119 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.062 1.654 6.397 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.609 5.145 6.458 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.105 -1.113 1.861 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.986 -2.608 1.895 1.00 0.01 C ATOM 2367 C LEU A 150 -3.887 -3.158 3.004 1.00 0.01 C ATOM 2368 O LEU A 150 -3.746 -2.814 4.161 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.518 -2.974 2.162 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.316 -4.514 2.067 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.041 -4.824 1.424 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -1.352 -5.148 3.466 1.00 0.01 C ATOM 0 H LEU A 150 -2.516 -0.617 2.530 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.298 -3.041 0.945 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.874 -2.471 1.440 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.223 -2.623 3.151 1.00 0.01 H new ATOM 0 HG LEU A 150 -2.121 -4.926 1.459 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.175 -5.904 1.361 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.076 -4.395 0.423 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.838 -4.394 2.031 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.209 -6.225 3.381 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -0.556 -4.724 4.078 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -2.316 -4.946 3.933 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.820 -4.013 2.654 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.749 -4.602 3.668 1.00 0.01 C ATOM 2386 C LEU A 151 -5.379 -6.062 3.941 1.00 0.01 C ATOM 2387 O LEU A 151 -5.156 -6.834 3.029 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.179 -4.547 3.128 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.470 -3.152 2.567 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.953 -3.056 2.196 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.131 -2.087 3.621 1.00 0.01 C ATOM 0 H LEU A 151 -4.978 -4.330 1.697 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.671 -4.033 4.594 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.312 -5.297 2.348 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.887 -4.784 3.922 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.860 -2.982 1.680 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.165 -2.064 1.796 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.189 -3.809 1.444 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.562 -3.227 3.084 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.340 -1.096 3.217 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.737 -2.251 4.512 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.075 -2.157 3.883 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.347 -6.451 5.189 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.025 -7.870 5.541 1.00 0.01 C ATOM 2405 C ASP A 152 -6.306 -8.547 6.030 1.00 0.00 C ATOM 2406 O ASP A 152 -7.331 -7.910 6.171 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.981 -7.892 6.659 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.755 -9.333 7.117 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.365 -10.142 6.290 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -3.973 -9.604 8.287 1.00 1.57 O ATOM 0 H ASP A 152 -5.531 -5.843 5.987 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.630 -8.394 4.671 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.045 -7.460 6.305 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.317 -7.281 7.497 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.269 -9.826 6.293 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.502 -10.513 6.775 1.00 0.01 C ATOM 2417 C LYS A 153 -7.965 -9.835 8.071 1.00 0.01 C ATOM 2418 O LYS A 153 -7.639 -10.273 9.156 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.200 -11.993 7.040 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.808 -12.126 7.665 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.646 -13.528 8.258 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.237 -13.682 8.834 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.134 -12.918 10.109 1.00 1.84 N ATOM 0 H LYS A 153 -5.446 -10.420 6.196 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.286 -10.445 6.021 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -7.952 -12.415 7.707 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.248 -12.557 6.109 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.041 -11.948 6.911 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.673 -11.373 8.442 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.389 -13.692 9.039 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -5.820 -14.281 7.490 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -4.018 -14.735 9.010 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -3.499 -13.318 8.119 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -3.241 -13.156 10.585 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -4.157 -11.898 9.906 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.933 -13.165 10.727 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.695 -8.747 7.967 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.150 -8.013 9.199 1.00 0.01 C ATOM 2439 C LYS A 154 -10.619 -7.588 9.090 1.00 0.01 C ATOM 2440 O LYS A 154 -11.235 -7.658 8.042 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.280 -6.760 9.385 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.870 -7.155 9.867 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.846 -7.296 11.395 1.00 0.97 C ATOM 2444 CE LYS A 154 -5.415 -7.578 11.858 1.00 1.44 C ATOM 2445 NZ LYS A 154 -5.417 -7.888 13.315 1.00 2.28 N ATOM 0 H LYS A 154 -8.996 -8.334 7.084 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.051 -8.684 10.052 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.211 -6.214 8.444 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.745 -6.090 10.109 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.571 -8.095 9.404 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.147 -6.401 9.554 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.217 -6.383 11.861 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.507 -8.105 11.707 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -4.998 -8.415 11.298 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.780 -6.714 11.660 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -4.445 -8.080 13.630 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -5.798 -7.077 13.842 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -6.009 -8.724 13.491 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.166 -7.109 10.183 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.582 -6.623 10.204 1.00 0.01 C ATOM 2461 C GLU A 155 -12.567 -5.106 10.438 1.00 0.01 C ATOM 2462 O GLU A 155 -12.239 -4.646 11.514 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.342 -7.307 11.344 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.337 -8.820 11.124 1.00 0.01 C ATOM 2465 CD GLU A 155 -11.939 -9.372 11.402 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -11.414 -9.088 12.465 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -11.417 -10.070 10.547 1.00 0.01 O ATOM 0 H GLU A 155 -10.681 -7.034 11.077 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.073 -6.855 9.259 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -12.878 -7.066 12.301 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.367 -6.938 11.385 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -14.065 -9.296 11.781 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -13.633 -9.050 10.101 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.906 -4.321 9.441 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.897 -2.831 9.612 1.00 0.01 C ATOM 2476 C TYR A 156 -14.319 -2.321 9.860 1.00 0.01 C ATOM 2477 O TYR A 156 -15.182 -2.444 9.014 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.327 -2.192 8.346 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.890 -2.618 8.170 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.870 -1.926 8.834 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.575 -3.701 7.339 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.536 -2.318 8.670 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.240 -4.092 7.175 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.221 -3.399 7.840 1.00 0.01 C ATOM 2485 OH TYR A 156 -6.904 -3.784 7.677 1.00 0.01 O ATOM 0 H TYR A 156 -13.188 -4.647 8.517 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.279 -2.565 10.470 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.915 -2.491 7.478 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.390 -1.106 8.414 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.112 -1.090 9.473 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.361 -4.234 6.825 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.750 -1.786 9.185 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -8.997 -4.928 6.536 1.00 0.01 H new ATOM 0 HH TYR A 156 -6.860 -4.552 7.069 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.583 -1.783 11.023 1.00 0.01 N ATOM 2496 CA ARG A 157 -15.967 -1.312 11.335 1.00 0.01 C ATOM 2497 C ARG A 157 -16.146 0.175 11.006 1.00 0.00 C ATOM 2498 O ARG A 157 -17.247 0.614 10.742 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.240 -1.526 12.825 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.086 -0.941 13.644 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.457 -0.954 15.129 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.236 -0.720 15.948 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.347 -0.395 17.206 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.529 -0.270 17.747 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.276 -0.191 17.925 1.00 0.01 N ATOM 0 H ARG A 157 -13.901 -1.649 11.770 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.666 -1.883 10.724 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.178 -1.048 13.106 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.348 -2.590 13.037 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.178 -1.522 13.480 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.876 0.078 13.320 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.200 -0.184 15.336 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.908 -1.911 15.394 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.313 -0.814 15.525 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.366 -0.427 17.186 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.615 -0.016 18.731 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.352 -0.286 17.503 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.363 0.063 18.909 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.093 0.961 11.013 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.227 2.422 10.691 1.00 0.01 C ATOM 2521 C LYS A 158 -14.249 2.768 9.553 1.00 0.01 C ATOM 2522 O LYS A 158 -13.224 2.134 9.418 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.868 3.237 11.943 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.071 3.290 12.891 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.630 3.843 14.247 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.827 3.871 15.199 1.00 2.13 C ATOM 2527 NZ LYS A 158 -16.416 4.486 16.493 1.00 2.54 N ATOM 0 H LYS A 158 -14.144 0.654 11.228 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.246 2.653 10.382 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.014 2.786 12.449 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.573 4.247 11.658 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.854 3.919 12.467 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.495 2.293 13.014 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -14.835 3.224 14.663 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.223 4.847 14.128 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.644 4.440 14.756 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.197 2.859 15.366 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -17.229 4.506 17.142 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -15.649 3.925 16.916 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -16.083 5.457 16.326 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.524 3.779 8.755 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.582 4.157 7.663 1.00 0.02 C ATOM 2543 C PRO A 159 -12.217 4.560 8.237 1.00 0.01 C ATOM 2544 O PRO A 159 -11.185 4.184 7.717 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.307 5.341 6.995 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.466 5.767 7.912 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.756 4.606 8.876 1.00 0.28 C ATOM 0 HA PRO A 159 -13.361 3.350 6.965 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.618 6.172 6.841 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.684 5.053 6.014 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.202 6.667 8.467 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.352 6.004 7.323 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.913 4.954 9.897 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.649 4.051 8.587 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.189 5.320 9.292 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.878 5.723 9.867 1.00 0.02 C ATOM 2557 C VAL A 160 -10.121 4.461 10.290 1.00 0.02 C ATOM 2558 O VAL A 160 -8.916 4.469 10.429 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.111 6.619 11.086 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.779 7.213 11.544 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.070 7.752 10.707 1.00 0.74 C ATOM 0 H VAL A 160 -13.011 5.678 9.779 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.296 6.273 9.127 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.543 6.029 11.895 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.944 7.851 12.412 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.094 6.408 11.811 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.347 7.804 10.736 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.238 8.392 11.573 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.636 8.341 9.899 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.020 7.330 10.378 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.814 3.373 10.485 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.110 2.126 10.884 1.00 0.01 C ATOM 2573 C ASP A 161 -9.191 1.674 9.746 1.00 0.01 C ATOM 2574 O ASP A 161 -8.295 0.877 9.937 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.133 1.026 11.179 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.441 -0.137 11.893 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.237 -0.063 12.070 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.126 -1.081 12.249 1.00 0.00 O ATOM 0 H ASP A 161 -11.826 3.295 10.386 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.518 2.317 11.779 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.938 1.420 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.587 0.678 10.251 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.395 2.202 8.562 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.521 1.834 7.407 1.00 0.01 C ATOM 2585 C TRP A 162 -7.409 2.887 7.301 1.00 0.01 C ATOM 2586 O TRP A 162 -6.664 2.908 6.341 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.344 1.883 6.089 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.704 0.528 5.542 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -8.964 -0.614 5.602 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.899 0.191 4.784 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.649 -1.621 4.942 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.845 -1.172 4.424 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.021 0.939 4.387 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.867 -1.773 3.689 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.051 0.340 3.649 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.974 -1.012 3.299 1.00 0.01 C ATOM 0 H TRP A 162 -10.132 2.874 8.347 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.116 0.833 7.557 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.260 2.447 6.265 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.774 2.428 5.336 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.003 -0.717 6.084 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.310 -2.579 4.850 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.090 1.984 4.653 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.804 -2.818 3.423 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.908 0.925 3.349 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.769 -1.468 2.728 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.271 3.749 8.264 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.190 4.764 8.178 1.00 0.01 C ATOM 2609 C GLY A 163 -6.590 5.858 7.186 1.00 0.01 C ATOM 2610 O GLY A 163 -5.783 6.665 6.774 1.00 0.01 O ATOM 0 H GLY A 163 -7.854 3.796 9.100 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.007 5.199 9.160 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.260 4.293 7.860 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.837 5.862 6.775 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.308 6.873 5.778 1.00 0.02 C ATOM 2616 C ALA A 164 -9.037 8.012 6.487 1.00 0.01 C ATOM 2617 O ALA A 164 -9.760 7.810 7.443 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.297 6.194 4.831 1.00 0.01 C ATOM 0 H ALA A 164 -8.551 5.205 7.090 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.450 7.270 5.236 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.652 6.917 4.096 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.802 5.369 4.319 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.143 5.812 5.402 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.847 9.211 6.011 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.517 10.387 6.628 1.00 0.01 C ATOM 2626 C ALA A 165 -10.926 10.547 6.049 1.00 0.02 C ATOM 2627 O ALA A 165 -11.709 11.341 6.532 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.714 11.654 6.335 1.00 0.59 C ATOM 0 H ALA A 165 -8.250 9.427 5.213 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.578 10.231 7.705 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.210 12.512 6.789 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.711 11.553 6.749 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.648 11.802 5.257 1.00 0.59 H new ATOM 2634 N SER A 166 -11.271 9.797 5.028 1.00 0.01 N ATOM 2635 CA SER A 166 -12.643 9.901 4.435 1.00 0.01 C ATOM 2636 C SER A 166 -13.095 8.494 3.983 1.00 0.02 C ATOM 2637 O SER A 166 -12.268 7.681 3.624 1.00 0.01 O ATOM 2638 CB SER A 166 -12.602 10.836 3.225 1.00 0.72 C ATOM 2639 OG SER A 166 -12.374 12.166 3.670 1.00 0.87 O ATOM 0 H SER A 166 -10.659 9.115 4.579 1.00 0.01 H new ATOM 0 HA SER A 166 -13.341 10.297 5.173 1.00 0.01 H new ATOM 0 HB2 SER A 166 -11.812 10.529 2.539 1.00 0.72 H new ATOM 0 HB3 SER A 166 -13.541 10.780 2.675 1.00 0.72 H new ATOM 0 HG SER A 166 -12.345 12.769 2.898 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.382 8.192 3.982 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.852 6.842 3.536 1.00 0.01 C ATOM 2647 C PRO A 167 -14.822 6.683 2.008 1.00 0.01 C ATOM 2648 O PRO A 167 -15.532 5.865 1.448 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.300 6.834 4.050 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.731 8.298 4.214 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.457 9.136 4.420 1.00 0.22 C ATOM 0 HA PRO A 167 -14.228 6.029 3.907 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -16.954 6.316 3.349 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.368 6.304 5.000 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.275 8.638 3.333 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.403 8.407 5.065 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.468 10.047 3.821 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.333 9.440 5.460 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.046 7.479 1.323 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.031 7.380 -0.166 1.00 0.01 C ATOM 2661 C ALA A 168 -13.117 6.245 -0.643 1.00 0.01 C ATOM 2662 O ALA A 168 -11.940 6.182 -0.346 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.531 8.701 -0.752 1.00 0.18 C ATOM 0 H ALA A 168 -13.429 8.186 1.723 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.046 7.169 -0.503 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.518 8.635 -1.840 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.195 9.509 -0.446 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.523 8.902 -0.389 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.707 5.355 -1.396 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.987 4.176 -1.964 1.00 0.01 C ATOM 2671 C ILE A 169 -13.638 3.886 -3.317 1.00 0.01 C ATOM 2672 O ILE A 169 -14.842 3.739 -3.401 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.170 2.986 -1.001 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.518 3.347 0.348 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.550 1.681 -1.577 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.444 2.116 1.255 1.00 3.99 C ATOM 0 H ILE A 169 -14.694 5.399 -1.650 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.919 4.355 -2.089 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.235 2.797 -0.866 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.516 3.743 0.180 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.093 4.133 0.838 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.699 0.865 -0.870 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -13.033 1.435 -2.522 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.483 1.828 -1.743 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -11.981 2.390 2.203 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.450 1.738 1.438 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.849 1.342 0.770 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.870 3.849 -4.387 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.468 3.619 -5.746 1.00 0.01 C ATOM 2690 C GLN A 170 -13.036 2.288 -6.374 1.00 0.02 C ATOM 2691 O GLN A 170 -13.676 1.834 -7.303 1.00 0.01 O ATOM 2692 CB GLN A 170 -13.050 4.758 -6.677 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.542 6.091 -6.109 1.00 3.39 C ATOM 2694 CD GLN A 170 -15.068 6.159 -6.209 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.660 5.538 -7.071 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.734 6.890 -5.356 1.00 5.17 N ATOM 0 H GLN A 170 -11.857 3.968 -4.377 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.550 3.585 -5.617 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.965 4.775 -6.784 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.466 4.599 -7.672 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.231 6.192 -5.069 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -13.094 6.919 -6.658 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.237 7.411 -4.633 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.751 6.940 -5.413 1.00 5.17 H new ATOM 2705 N SER A 171 -11.989 1.636 -5.937 1.00 0.01 N ATOM 2706 CA SER A 171 -11.625 0.344 -6.612 1.00 0.01 C ATOM 2707 C SER A 171 -10.782 -0.521 -5.674 1.00 0.01 C ATOM 2708 O SER A 171 -10.176 -0.034 -4.743 1.00 0.01 O ATOM 2709 CB SER A 171 -10.826 0.646 -7.879 1.00 0.01 C ATOM 2710 OG SER A 171 -10.511 -0.576 -8.536 1.00 0.02 O ATOM 0 H SER A 171 -11.385 1.926 -5.168 1.00 0.01 H new ATOM 0 HA SER A 171 -12.537 -0.195 -6.868 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.403 1.291 -8.542 1.00 0.01 H new ATOM 0 HB3 SER A 171 -9.912 1.184 -7.627 1.00 0.01 H new ATOM 0 HG SER A 171 -11.325 -1.112 -8.638 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.711 -1.809 -5.929 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.871 -2.692 -5.056 1.00 0.01 C ATOM 2718 C PHE A 172 -9.391 -3.924 -5.836 1.00 0.01 C ATOM 2719 O PHE A 172 -9.999 -4.338 -6.803 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.648 -3.120 -3.801 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.019 -3.659 -4.149 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.150 -4.912 -4.760 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.164 -2.914 -3.830 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.423 -5.416 -5.056 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.435 -3.421 -4.123 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.564 -4.672 -4.737 1.00 1.92 C ATOM 0 H PHE A 172 -11.192 -2.281 -6.694 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.998 -2.122 -4.739 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.082 -3.882 -3.265 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.752 -2.268 -3.129 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.270 -5.489 -5.003 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.064 -1.948 -3.358 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.524 -6.381 -5.531 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.316 -2.847 -3.875 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.545 -5.063 -4.965 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.285 -4.505 -5.430 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.739 -5.698 -6.158 1.00 0.01 C ATOM 2738 C ARG A 173 -7.120 -6.690 -5.167 1.00 0.01 C ATOM 2739 O ARG A 173 -6.617 -6.322 -4.124 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.632 -5.247 -7.122 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.228 -4.524 -8.329 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.112 -3.792 -9.080 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.879 -4.629 -9.088 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.907 -4.352 -9.912 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -4.013 -3.339 -10.729 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.828 -5.086 -9.919 1.00 0.01 N ATOM 0 H ARG A 173 -7.736 -4.204 -4.625 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.557 -6.173 -6.700 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.938 -4.587 -6.603 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.059 -6.112 -7.456 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.719 -5.238 -8.990 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.989 -3.815 -8.004 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.426 -3.581 -10.102 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.909 -2.833 -8.604 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.795 -5.419 -8.448 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.856 -2.765 -10.723 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.253 -3.122 -11.374 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.745 -5.877 -9.280 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.068 -4.869 -10.564 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.143 -7.953 -5.508 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.545 -8.994 -4.622 1.00 0.01 C ATOM 2762 C ARG A 174 -5.058 -9.150 -4.961 1.00 0.01 C ATOM 2763 O ARG A 174 -4.670 -9.092 -6.110 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.245 -10.333 -4.854 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.019 -10.786 -6.298 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.977 -11.931 -6.629 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.556 -12.576 -7.905 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.033 -13.745 -8.231 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.878 -14.346 -7.440 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.664 -14.313 -9.346 1.00 0.01 N ATOM 0 H ARG A 174 -7.555 -8.310 -6.370 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.665 -8.693 -3.581 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.858 -11.082 -4.162 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.312 -10.236 -4.655 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.181 -9.953 -6.981 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.987 -11.111 -6.431 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.978 -12.663 -5.822 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.996 -11.553 -6.718 1.00 0.01 H new ATOM 0 HE ARG A 174 -6.896 -12.104 -8.522 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -9.165 -13.902 -6.568 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.252 -15.260 -7.694 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.002 -13.843 -9.963 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.037 -15.227 -9.600 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.223 -9.368 -3.974 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.763 -9.550 -4.262 1.00 0.01 C ATOM 2786 C ILE A 175 -2.463 -11.044 -4.401 1.00 0.00 C ATOM 2787 O ILE A 175 -2.807 -11.831 -3.542 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.898 -8.980 -3.130 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.374 -7.571 -2.756 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.445 -8.910 -3.604 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.409 -6.963 -1.727 1.00 3.04 C ATOM 0 H ILE A 175 -4.484 -9.428 -2.990 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.528 -9.019 -5.184 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.980 -9.625 -2.255 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.418 -6.942 -3.645 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.383 -7.613 -2.345 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.179 -8.506 -2.807 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.099 -9.910 -3.864 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.379 -8.264 -4.479 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.746 -5.961 -1.460 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.387 -7.589 -0.835 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.408 -6.907 -2.155 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.823 -11.443 -5.473 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.495 -12.892 -5.670 1.00 0.00 C ATOM 2805 C VAL A 176 -0.055 -13.032 -6.168 1.00 0.01 C ATOM 2806 O VAL A 176 0.444 -12.199 -6.898 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.438 -13.492 -6.715 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.310 -12.716 -8.026 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.066 -14.956 -6.951 1.00 1.89 C ATOM 0 H VAL A 176 -1.512 -10.826 -6.223 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.610 -13.415 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.466 -13.429 -6.357 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.982 -13.144 -8.769 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.573 -11.672 -7.858 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.283 -12.778 -8.387 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.736 -15.386 -7.695 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -1.038 -15.017 -7.310 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -2.158 -15.510 -6.017 1.00 1.89 H new ATOM 2819 N GLU A 177 0.615 -14.082 -5.781 1.00 0.01 N ATOM 2820 CA GLU A 177 2.024 -14.281 -6.230 1.00 0.01 C ATOM 2821 C GLU A 177 2.089 -14.181 -7.756 1.00 0.01 C ATOM 2822 CB GLU A 177 2.513 -15.662 -5.786 1.00 2.15 C ATOM 2823 CG GLU A 177 2.564 -15.720 -4.257 1.00 3.19 C ATOM 2824 CD GLU A 177 3.122 -17.074 -3.817 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.051 -18.005 -4.602 1.00 4.89 O ATOM 2826 OE2 GLU A 177 3.612 -17.158 -2.704 1.00 4.77 O ATOM 0 H GLU A 177 0.248 -14.813 -5.172 1.00 0.01 H new ATOM 0 HA GLU A 177 2.659 -13.514 -5.787 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.846 -16.435 -6.168 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.501 -15.860 -6.201 1.00 2.15 H new ATOM 0 HG2 GLU A 177 3.190 -14.914 -3.872 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.566 -15.574 -3.843 1.00 3.19 H new