USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 15 GLN : amide:sc= 0.323 K(o=-0.58,f=-6.2) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.809 K(o=-0.58,f=-6.8) USER MOD Set 1.3: A 61 GLN : amide:sc= -1.72! C(o=-0.58!,f=-5.9!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.16 (180deg=-0.669) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00152 (180deg=-0.111) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.017) USER MOD Single : A 5 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -2.62! F(o=-3.6,f=-2.6!) USER MOD Single : A 9 MET CE :methyl 162:sc= -0.129 (180deg=-0.602) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -142:sc= 0 (180deg=-0.951) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.07) USER MOD Single : A 33 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.78) USER MOD Single : A 36 GLN : amide:sc= 0.477 K(o=0.48,f=-0.36) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0763 USER MOD Single : A 38 SER OG : rot -13:sc= 0.316 USER MOD Single : A 41 MET CE :methyl -137:sc= -0.0213 (180deg=-2.24!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.045 (180deg=-0.345) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 85:sc= -4.49! USER MOD Single : A 64 GLN : amide:sc= 0.0393 X(o=0.039,f=-0.15) USER MOD Single : A 68 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.4) USER MOD Single : A 71 THR OG1 : rot 148:sc= 0.651 USER MOD Single : A 73 MET CE :methyl 164:sc= -0.075 (180deg=-0.491) USER MOD Single : A 77 SER OG : rot -17:sc= 0.0792 USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 83 ASN : amide:sc= -0.307 X(o=-0.31,f=0.084) USER MOD Single : A 84 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.37) USER MOD Single : A 85 HIS : no HE2:sc= 0.0014 X(o=0.0014,f=-0.14) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.335 -2.082 3.252 1.00 73.22 N ATOM 2 CA MET A 1 -0.167 -3.198 2.291 1.00 15.13 C ATOM 3 C MET A 1 0.717 -2.765 1.123 1.00 45.32 C ATOM 4 O MET A 1 0.349 -1.865 0.367 1.00 32.32 O ATOM 5 CB MET A 1 -1.531 -3.659 1.753 1.00 22.50 C ATOM 6 CG MET A 1 -2.474 -4.208 2.815 1.00 70.23 C ATOM 7 SD MET A 1 -4.066 -4.712 2.131 1.00 24.24 S ATOM 8 CE MET A 1 -4.693 -3.152 1.505 1.00 64.32 C ATOM 0 H1 MET A 1 -0.792 -2.435 4.117 1.00 73.22 H new ATOM 0 H2 MET A 1 0.597 -1.685 3.489 1.00 73.22 H new ATOM 0 H3 MET A 1 -0.928 -1.342 2.825 1.00 73.22 H new ATOM 0 HA MET A 1 0.308 -4.027 2.816 1.00 15.13 H new ATOM 0 HB2 MET A 1 -2.014 -2.818 1.255 1.00 22.50 H new ATOM 0 HB3 MET A 1 -1.369 -4.427 0.997 1.00 22.50 H new ATOM 0 HG2 MET A 1 -2.006 -5.062 3.305 1.00 70.23 H new ATOM 0 HG3 MET A 1 -2.635 -3.449 3.581 1.00 70.23 H new ATOM 0 HE1 MET A 1 -5.774 -3.217 1.383 1.00 64.32 H new ATOM 0 HE2 MET A 1 -4.455 -2.355 2.210 1.00 64.32 H new ATOM 0 HE3 MET A 1 -4.231 -2.935 0.542 1.00 64.32 H new ATOM 20 N ALA A 2 1.877 -3.404 0.981 1.00 54.21 N ATOM 21 CA ALA A 2 2.808 -3.097 -0.103 1.00 14.23 C ATOM 22 C ALA A 2 3.857 -4.197 -0.233 1.00 44.12 C ATOM 23 O ALA A 2 3.855 -5.153 0.545 1.00 53.24 O ATOM 24 CB ALA A 2 3.480 -1.749 0.144 1.00 73.44 C ATOM 0 H ALA A 2 2.196 -4.143 1.608 1.00 54.21 H new ATOM 0 HA ALA A 2 2.248 -3.042 -1.037 1.00 14.23 H new ATOM 0 HB1 ALA A 2 4.171 -1.532 -0.671 1.00 73.44 H new ATOM 0 HB2 ALA A 2 2.721 -0.968 0.194 1.00 73.44 H new ATOM 0 HB3 ALA A 2 4.028 -1.783 1.085 1.00 73.44 H new ATOM 30 N HIS A 3 4.728 -4.059 -1.233 1.00 41.44 N ATOM 31 CA HIS A 3 5.869 -4.959 -1.425 1.00 1.43 C ATOM 32 C HIS A 3 5.433 -6.419 -1.533 1.00 4.31 C ATOM 33 O HIS A 3 5.971 -7.300 -0.855 1.00 2.31 O ATOM 34 CB HIS A 3 6.890 -4.782 -0.290 1.00 5.12 C ATOM 35 CG HIS A 3 7.514 -3.423 -0.262 1.00 63.14 C ATOM 36 ND1 HIS A 3 7.682 -2.689 0.893 1.00 24.54 N ATOM 37 CD2 HIS A 3 8.023 -2.668 -1.261 1.00 72.24 C ATOM 38 CE1 HIS A 3 8.264 -1.542 0.600 1.00 45.21 C ATOM 39 NE2 HIS A 3 8.484 -1.505 -0.700 1.00 10.03 N ATOM 0 H HIS A 3 4.664 -3.320 -1.934 1.00 41.44 H new ATOM 0 HA HIS A 3 6.342 -4.691 -2.370 1.00 1.43 H new ATOM 0 HB2 HIS A 3 6.398 -4.968 0.665 1.00 5.12 H new ATOM 0 HB3 HIS A 3 7.674 -5.532 -0.396 1.00 5.12 H new ATOM 0 HD2 HIS A 3 8.060 -2.932 -2.308 1.00 72.24 H new ATOM 0 HE1 HIS A 3 8.518 -0.765 1.305 1.00 45.21 H new ATOM 0 HE2 HIS A 3 8.925 -0.737 -1.205 1.00 10.03 H new ATOM 48 N HIS A 4 4.458 -6.679 -2.395 1.00 40.34 N ATOM 49 CA HIS A 4 4.024 -8.045 -2.657 1.00 51.01 C ATOM 50 C HIS A 4 5.043 -8.776 -3.528 1.00 53.23 C ATOM 51 O HIS A 4 4.928 -8.802 -4.756 1.00 0.34 O ATOM 52 CB HIS A 4 2.632 -8.078 -3.305 1.00 50.20 C ATOM 53 CG HIS A 4 1.512 -7.833 -2.336 1.00 33.32 C ATOM 54 ND1 HIS A 4 0.213 -7.598 -2.726 1.00 30.31 N ATOM 55 CD2 HIS A 4 1.500 -7.826 -0.980 1.00 2.31 C ATOM 56 CE1 HIS A 4 -0.548 -7.458 -1.659 1.00 13.25 C ATOM 57 NE2 HIS A 4 0.207 -7.594 -0.581 1.00 22.43 N ATOM 0 H HIS A 4 3.955 -5.965 -2.922 1.00 40.34 H new ATOM 0 HA HIS A 4 3.955 -8.560 -1.699 1.00 51.01 H new ATOM 0 HB2 HIS A 4 2.590 -7.327 -4.094 1.00 50.20 H new ATOM 0 HB3 HIS A 4 2.485 -9.048 -3.780 1.00 50.20 H new ATOM 0 HD2 HIS A 4 2.351 -7.976 -0.333 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -1.611 -7.265 -1.664 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -0.117 -7.536 0.384 1.00 22.43 H new ATOM 66 N HIS A 5 6.074 -9.311 -2.881 1.00 52.40 N ATOM 67 CA HIS A 5 7.042 -10.185 -3.542 1.00 51.23 C ATOM 68 C HIS A 5 6.341 -11.451 -4.023 1.00 25.42 C ATOM 69 O HIS A 5 5.981 -12.308 -3.218 1.00 52.12 O ATOM 70 CB HIS A 5 8.204 -10.523 -2.590 1.00 11.32 C ATOM 71 CG HIS A 5 7.768 -10.890 -1.199 1.00 24.41 C ATOM 72 ND1 HIS A 5 7.616 -9.961 -0.194 1.00 1.43 N ATOM 73 CD2 HIS A 5 7.444 -12.087 -0.653 1.00 64.02 C ATOM 74 CE1 HIS A 5 7.218 -10.569 0.909 1.00 33.02 C ATOM 75 NE2 HIS A 5 7.103 -11.860 0.660 1.00 22.00 N ATOM 0 H HIS A 5 6.263 -9.154 -1.891 1.00 52.40 H new ATOM 0 HA HIS A 5 7.462 -9.668 -4.405 1.00 51.23 H new ATOM 0 HB2 HIS A 5 8.776 -11.350 -3.011 1.00 11.32 H new ATOM 0 HB3 HIS A 5 8.876 -9.667 -2.535 1.00 11.32 H new ATOM 0 HD2 HIS A 5 7.452 -13.043 -1.156 1.00 64.02 H new ATOM 0 HE1 HIS A 5 7.020 -10.090 1.856 1.00 33.02 H new ATOM 0 HE2 HIS A 5 6.810 -12.571 1.330 1.00 22.00 H new ATOM 84 N HIS A 6 6.154 -11.555 -5.339 1.00 34.21 N ATOM 85 CA HIS A 6 5.282 -12.570 -5.940 1.00 74.21 C ATOM 86 C HIS A 6 3.821 -12.276 -5.595 1.00 71.31 C ATOM 87 O HIS A 6 3.532 -11.441 -4.735 1.00 5.52 O ATOM 88 CB HIS A 6 5.662 -14.002 -5.515 1.00 64.32 C ATOM 89 CG HIS A 6 6.907 -14.522 -6.168 1.00 13.35 C ATOM 90 ND1 HIS A 6 6.928 -15.020 -7.452 1.00 0.10 N ATOM 91 CD2 HIS A 6 8.176 -14.632 -5.706 1.00 40.24 C ATOM 92 CE1 HIS A 6 8.150 -15.416 -7.750 1.00 55.12 C ATOM 93 NE2 HIS A 6 8.929 -15.192 -6.710 1.00 52.24 N ATOM 0 H HIS A 6 6.601 -10.940 -6.019 1.00 34.21 H new ATOM 0 HA HIS A 6 5.417 -12.517 -7.020 1.00 74.21 H new ATOM 0 HB2 HIS A 6 5.794 -14.026 -4.433 1.00 64.32 H new ATOM 0 HB3 HIS A 6 4.834 -14.671 -5.750 1.00 64.32 H new ATOM 0 HD2 HIS A 6 8.530 -14.335 -4.730 1.00 40.24 H new ATOM 0 HE1 HIS A 6 8.461 -15.851 -8.688 1.00 55.12 H new ATOM 0 HE2 HIS A 6 9.926 -15.400 -6.659 1.00 52.24 H new ATOM 102 N HIS A 7 2.903 -12.957 -6.271 1.00 31.13 N ATOM 103 CA HIS A 7 1.477 -12.697 -6.099 1.00 13.43 C ATOM 104 C HIS A 7 1.000 -13.190 -4.730 1.00 13.23 C ATOM 105 O HIS A 7 0.671 -12.391 -3.857 1.00 24.42 O ATOM 106 CB HIS A 7 0.673 -13.369 -7.223 1.00 45.10 C ATOM 107 CG HIS A 7 -0.791 -13.041 -7.202 1.00 22.34 C ATOM 108 ND1 HIS A 7 -1.772 -13.975 -6.943 1.00 12.53 N ATOM 109 CD2 HIS A 7 -1.439 -11.874 -7.430 1.00 21.41 C ATOM 110 CE1 HIS A 7 -2.955 -13.396 -7.014 1.00 22.12 C ATOM 111 NE2 HIS A 7 -2.783 -12.121 -7.306 1.00 52.52 N ATOM 0 H HIS A 7 3.120 -13.693 -6.943 1.00 31.13 H new ATOM 0 HA HIS A 7 1.314 -11.621 -6.150 1.00 13.43 H new ATOM 0 HB2 HIS A 7 1.089 -13.068 -8.184 1.00 45.10 H new ATOM 0 HB3 HIS A 7 0.795 -14.450 -7.147 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -0.982 -10.924 -7.666 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -3.906 -13.884 -6.859 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -3.527 -11.432 -7.421 1.00 52.52 H new ATOM 120 N HIS A 8 0.986 -14.509 -4.554 1.00 52.21 N ATOM 121 CA HIS A 8 0.550 -15.149 -3.304 1.00 10.20 C ATOM 122 C HIS A 8 1.122 -16.562 -3.239 1.00 44.12 C ATOM 123 O HIS A 8 1.736 -17.031 -4.201 1.00 2.14 O ATOM 124 CB HIS A 8 -0.991 -15.224 -3.205 1.00 2.10 C ATOM 125 CG HIS A 8 -1.673 -13.950 -2.791 1.00 65.54 C ATOM 126 ND1 HIS A 8 -1.274 -12.949 -1.969 1.00 13.43 N flip ATOM 127 CD2 HIS A 8 -2.948 -13.622 -3.190 1.00 64.25 C flip ATOM 128 CE1 HIS A 8 -2.305 -12.045 -1.886 1.00 71.44 C flip ATOM 129 NE2 HIS A 8 -3.300 -12.478 -2.638 1.00 64.15 N flip ATOM 0 H HIS A 8 1.277 -15.171 -5.273 1.00 52.21 H new ATOM 0 HA HIS A 8 0.914 -14.546 -2.472 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -1.386 -15.529 -4.174 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -1.255 -16.006 -2.493 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -3.565 -14.211 -3.853 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -2.302 -11.135 -1.305 1.00 71.44 H new ATOM 0 HE2 HIS A 8 -4.194 -12.005 -2.770 1.00 64.15 H new ATOM 138 N MET A 9 0.925 -17.243 -2.111 1.00 12.25 N ATOM 139 CA MET A 9 1.313 -18.650 -1.996 1.00 2.23 C ATOM 140 C MET A 9 0.128 -19.550 -2.352 1.00 52.43 C ATOM 141 O MET A 9 0.285 -20.549 -3.058 1.00 54.21 O ATOM 142 CB MET A 9 1.849 -18.976 -0.591 1.00 51.52 C ATOM 143 CG MET A 9 0.862 -18.737 0.546 1.00 71.54 C ATOM 144 SD MET A 9 1.496 -19.312 2.137 1.00 31.53 S ATOM 145 CE MET A 9 2.997 -18.340 2.279 1.00 44.51 C ATOM 0 H MET A 9 0.503 -16.849 -1.270 1.00 12.25 H new ATOM 0 HA MET A 9 2.123 -18.839 -2.701 1.00 2.23 H new ATOM 0 HB2 MET A 9 2.158 -20.021 -0.570 1.00 51.52 H new ATOM 0 HB3 MET A 9 2.741 -18.376 -0.410 1.00 51.52 H new ATOM 0 HG2 MET A 9 0.637 -17.673 0.611 1.00 71.54 H new ATOM 0 HG3 MET A 9 -0.075 -19.248 0.324 1.00 71.54 H new ATOM 0 HE1 MET A 9 3.329 -18.333 3.317 1.00 44.51 H new ATOM 0 HE2 MET A 9 3.774 -18.777 1.652 1.00 44.51 H new ATOM 0 HE3 MET A 9 2.801 -17.318 1.954 1.00 44.51 H new ATOM 155 N GLY A 10 -1.062 -19.176 -1.880 1.00 33.52 N ATOM 156 CA GLY A 10 -2.274 -19.902 -2.228 1.00 73.32 C ATOM 157 C GLY A 10 -2.505 -21.133 -1.364 1.00 21.22 C ATOM 158 O GLY A 10 -1.744 -22.099 -1.425 1.00 31.32 O ATOM 0 H GLY A 10 -1.208 -18.379 -1.260 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -3.130 -19.234 -2.133 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -2.221 -20.205 -3.274 1.00 73.32 H new ATOM 162 N THR A 11 -3.563 -21.088 -0.560 1.00 23.20 N ATOM 163 CA THR A 11 -3.975 -22.205 0.288 1.00 64.11 C ATOM 164 C THR A 11 -5.482 -22.070 0.557 1.00 2.14 C ATOM 165 O THR A 11 -6.098 -21.118 0.074 1.00 24.42 O ATOM 166 CB THR A 11 -3.171 -22.208 1.622 1.00 61.21 C ATOM 167 OG1 THR A 11 -1.768 -22.089 1.343 1.00 21.55 O ATOM 168 CG2 THR A 11 -3.403 -23.485 2.423 1.00 2.40 C ATOM 0 H THR A 11 -4.165 -20.269 -0.477 1.00 23.20 H new ATOM 0 HA THR A 11 -3.772 -23.151 -0.214 1.00 64.11 H new ATOM 0 HB THR A 11 -3.519 -21.361 2.214 1.00 61.21 H new ATOM 0 HG1 THR A 11 -1.266 -22.090 2.185 1.00 21.55 H new ATOM 0 HG21 THR A 11 -2.824 -23.446 3.346 1.00 2.40 H new ATOM 0 HG22 THR A 11 -4.462 -23.577 2.663 1.00 2.40 H new ATOM 0 HG23 THR A 11 -3.089 -24.346 1.834 1.00 2.40 H new ATOM 176 N LEU A 12 -6.086 -23.016 1.282 1.00 10.11 N ATOM 177 CA LEU A 12 -7.491 -22.892 1.675 1.00 62.34 C ATOM 178 C LEU A 12 -7.768 -23.672 2.966 1.00 50.51 C ATOM 179 O LEU A 12 -7.937 -23.077 4.032 1.00 4.12 O ATOM 180 CB LEU A 12 -8.420 -23.360 0.542 1.00 73.43 C ATOM 181 CG LEU A 12 -9.921 -23.115 0.779 1.00 43.20 C ATOM 182 CD1 LEU A 12 -10.208 -21.625 0.950 1.00 34.05 C ATOM 183 CD2 LEU A 12 -10.751 -23.696 -0.364 1.00 2.42 C ATOM 0 H LEU A 12 -5.629 -23.868 1.606 1.00 10.11 H new ATOM 0 HA LEU A 12 -7.696 -21.839 1.866 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -8.127 -22.854 -0.378 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -8.263 -24.427 0.383 1.00 73.43 H new ATOM 0 HG LEU A 12 -10.205 -23.623 1.700 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -11.275 -21.477 1.116 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -9.651 -21.243 1.806 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -9.903 -21.090 0.050 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -11.809 -23.512 -0.176 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -10.461 -23.222 -1.302 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -10.576 -24.770 -0.431 1.00 2.42 H new ATOM 195 N GLU A 13 -7.809 -25.000 2.878 1.00 11.24 N ATOM 196 CA GLU A 13 -8.056 -25.830 4.055 1.00 2.42 C ATOM 197 C GLU A 13 -6.739 -26.211 4.722 1.00 25.54 C ATOM 198 O GLU A 13 -6.108 -27.203 4.350 1.00 43.43 O ATOM 199 CB GLU A 13 -8.850 -27.099 3.700 1.00 52.23 C ATOM 200 CG GLU A 13 -10.134 -26.834 2.915 1.00 2.02 C ATOM 201 CD GLU A 13 -9.967 -27.046 1.418 1.00 23.10 C ATOM 202 OE1 GLU A 13 -9.016 -26.492 0.833 1.00 31.04 O ATOM 203 OE2 GLU A 13 -10.773 -27.791 0.825 1.00 20.54 O ATOM 0 H GLU A 13 -7.676 -25.521 2.011 1.00 11.24 H new ATOM 0 HA GLU A 13 -8.656 -25.242 4.750 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -8.211 -27.763 3.117 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -9.102 -27.626 4.620 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -10.922 -27.491 3.284 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -10.461 -25.810 3.098 1.00 2.02 H new ATOM 210 N ALA A 14 -6.317 -25.397 5.681 1.00 34.40 N ATOM 211 CA ALA A 14 -5.121 -25.674 6.471 1.00 21.23 C ATOM 212 C ALA A 14 -5.191 -24.924 7.796 1.00 55.24 C ATOM 213 O ALA A 14 -4.989 -23.708 7.840 1.00 61.00 O ATOM 214 CB ALA A 14 -3.859 -25.287 5.703 1.00 34.11 C ATOM 0 H ALA A 14 -6.791 -24.530 5.934 1.00 34.40 H new ATOM 0 HA ALA A 14 -5.077 -26.745 6.671 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -2.982 -25.503 6.313 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -3.807 -25.859 4.777 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -3.886 -24.222 5.471 1.00 34.11 H new ATOM 220 N GLN A 15 -5.514 -25.646 8.866 1.00 62.31 N ATOM 221 CA GLN A 15 -5.601 -25.052 10.200 1.00 61.21 C ATOM 222 C GLN A 15 -4.251 -24.512 10.642 1.00 41.33 C ATOM 223 O GLN A 15 -4.160 -23.426 11.216 1.00 55.20 O ATOM 224 CB GLN A 15 -6.114 -26.077 11.225 1.00 32.53 C ATOM 225 CG GLN A 15 -7.552 -26.525 10.988 1.00 2.10 C ATOM 226 CD GLN A 15 -8.027 -27.551 12.007 1.00 32.43 C ATOM 227 OE1 GLN A 15 -7.580 -27.558 13.156 1.00 73.03 O ATOM 228 NE2 GLN A 15 -8.928 -28.429 11.592 1.00 54.22 N ATOM 0 H GLN A 15 -5.720 -26.644 8.837 1.00 62.31 H new ATOM 0 HA GLN A 15 -6.309 -24.225 10.148 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -5.464 -26.952 11.205 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -6.038 -25.646 12.223 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -8.209 -25.656 11.022 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -7.635 -26.949 9.987 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -9.274 -28.391 10.633 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -9.276 -29.143 12.231 1.00 54.22 H new ATOM 237 N THR A 16 -3.211 -25.282 10.355 1.00 54.24 N ATOM 238 CA THR A 16 -1.847 -24.946 10.760 1.00 21.43 C ATOM 239 C THR A 16 -1.789 -24.719 12.281 1.00 75.24 C ATOM 240 O THR A 16 -0.916 -24.017 12.803 1.00 55.04 O ATOM 241 CB THR A 16 -1.348 -23.693 9.990 1.00 2.14 C ATOM 242 OG1 THR A 16 -1.694 -23.826 8.600 1.00 30.03 O ATOM 243 CG2 THR A 16 0.167 -23.525 10.114 1.00 42.53 C ATOM 0 H THR A 16 -3.285 -26.157 9.836 1.00 54.24 H new ATOM 0 HA THR A 16 -1.188 -25.778 10.512 1.00 21.43 H new ATOM 0 HB THR A 16 -1.825 -22.814 10.423 1.00 2.14 H new ATOM 0 HG1 THR A 16 -1.383 -23.037 8.109 1.00 30.03 H new ATOM 0 HG21 THR A 16 0.481 -22.638 9.563 1.00 42.53 H new ATOM 0 HG22 THR A 16 0.436 -23.414 11.164 1.00 42.53 H new ATOM 0 HG23 THR A 16 0.665 -24.403 9.703 1.00 42.53 H new ATOM 251 N GLN A 17 -2.720 -25.364 12.983 1.00 13.34 N ATOM 252 CA GLN A 17 -2.876 -25.203 14.422 1.00 34.33 C ATOM 253 C GLN A 17 -1.664 -25.766 15.156 1.00 53.31 C ATOM 254 O GLN A 17 -1.127 -25.141 16.076 1.00 40.31 O ATOM 255 CB GLN A 17 -4.157 -25.924 14.880 1.00 1.43 C ATOM 256 CG GLN A 17 -4.494 -25.732 16.355 1.00 44.23 C ATOM 257 CD GLN A 17 -4.803 -24.285 16.709 1.00 62.21 C ATOM 258 OE1 GLN A 17 -5.284 -23.517 15.873 1.00 74.11 O ATOM 259 NE2 GLN A 17 -4.547 -23.909 17.951 1.00 32.34 N ATOM 0 H GLN A 17 -3.387 -26.013 12.566 1.00 13.34 H new ATOM 0 HA GLN A 17 -2.954 -24.141 14.656 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -4.994 -25.569 14.279 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -4.051 -26.990 14.680 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -5.352 -26.354 16.610 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -3.657 -26.078 16.962 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -4.149 -24.574 18.613 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -4.748 -22.954 18.246 1.00 32.34 H new ATOM 268 N GLY A 18 -1.229 -26.943 14.722 1.00 74.42 N ATOM 269 CA GLY A 18 -0.142 -27.637 15.384 1.00 12.00 C ATOM 270 C GLY A 18 -0.616 -28.311 16.657 1.00 35.14 C ATOM 271 O GLY A 18 -1.577 -29.084 16.620 1.00 43.04 O ATOM 0 H GLY A 18 -1.615 -27.433 13.915 1.00 74.42 H new ATOM 0 HA2 GLY A 18 0.281 -28.382 14.710 1.00 12.00 H new ATOM 0 HA3 GLY A 18 0.655 -26.931 15.618 1.00 12.00 H new ATOM 275 N PRO A 19 0.030 -28.038 17.805 1.00 2.43 N ATOM 276 CA PRO A 19 -0.383 -28.580 19.100 1.00 73.41 C ATOM 277 C PRO A 19 -1.570 -27.807 19.684 1.00 73.01 C ATOM 278 O PRO A 19 -1.639 -26.579 19.569 1.00 12.24 O ATOM 279 CB PRO A 19 0.874 -28.408 19.987 1.00 61.45 C ATOM 280 CG PRO A 19 1.941 -27.859 19.084 1.00 2.54 C ATOM 281 CD PRO A 19 1.220 -27.194 17.945 1.00 51.13 C ATOM 0 HA PRO A 19 -0.718 -29.615 19.027 1.00 73.41 H new ATOM 0 HB2 PRO A 19 0.677 -27.729 20.817 1.00 61.45 H new ATOM 0 HB3 PRO A 19 1.180 -29.360 20.420 1.00 61.45 H new ATOM 0 HG2 PRO A 19 2.572 -27.147 19.615 1.00 2.54 H new ATOM 0 HG3 PRO A 19 2.593 -28.654 18.722 1.00 2.54 H new ATOM 0 HD2 PRO A 19 0.962 -26.160 18.173 1.00 51.13 H new ATOM 0 HD3 PRO A 19 1.820 -27.180 17.035 1.00 51.13 H new ATOM 289 N GLY A 20 -2.503 -28.529 20.301 1.00 44.34 N ATOM 290 CA GLY A 20 -3.654 -27.899 20.930 1.00 15.12 C ATOM 291 C GLY A 20 -4.715 -27.484 19.923 1.00 30.50 C ATOM 292 O GLY A 20 -4.805 -26.310 19.552 1.00 30.22 O ATOM 0 H GLY A 20 -2.482 -29.546 20.377 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -4.092 -28.589 21.651 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -3.324 -27.022 21.487 1.00 15.12 H new ATOM 296 N SER A 21 -5.509 -28.452 19.467 1.00 5.35 N ATOM 297 CA SER A 21 -6.611 -28.183 18.548 1.00 13.22 C ATOM 298 C SER A 21 -7.772 -27.529 19.298 1.00 35.21 C ATOM 299 O SER A 21 -8.376 -28.144 20.182 1.00 61.22 O ATOM 300 CB SER A 21 -7.073 -29.487 17.887 1.00 65.31 C ATOM 301 OG SER A 21 -5.990 -30.138 17.240 1.00 31.31 O ATOM 0 H SER A 21 -5.407 -29.434 19.722 1.00 5.35 H new ATOM 0 HA SER A 21 -6.267 -27.499 17.772 1.00 13.22 H new ATOM 0 HB2 SER A 21 -7.503 -30.148 18.639 1.00 65.31 H new ATOM 0 HB3 SER A 21 -7.859 -29.274 17.163 1.00 65.31 H new ATOM 0 HG SER A 21 -6.307 -30.968 16.827 1.00 31.31 H new ATOM 307 N MET A 22 -8.062 -26.276 18.961 1.00 40.34 N ATOM 308 CA MET A 22 -9.144 -25.536 19.606 1.00 11.43 C ATOM 309 C MET A 22 -10.500 -26.031 19.112 1.00 25.31 C ATOM 310 O MET A 22 -10.879 -25.795 17.965 1.00 73.35 O ATOM 311 CB MET A 22 -9.003 -24.033 19.337 1.00 14.10 C ATOM 312 CG MET A 22 -10.112 -23.191 19.959 1.00 73.13 C ATOM 313 SD MET A 22 -10.222 -23.405 21.745 1.00 12.04 S ATOM 314 CE MET A 22 -11.609 -22.338 22.137 1.00 34.42 C ATOM 0 H MET A 22 -7.562 -25.750 18.244 1.00 40.34 H new ATOM 0 HA MET A 22 -9.080 -25.706 20.681 1.00 11.43 H new ATOM 0 HB2 MET A 22 -8.042 -23.693 19.722 1.00 14.10 H new ATOM 0 HB3 MET A 22 -8.992 -23.865 18.260 1.00 14.10 H new ATOM 0 HG2 MET A 22 -9.936 -22.139 19.733 1.00 73.13 H new ATOM 0 HG3 MET A 22 -11.066 -23.459 19.505 1.00 73.13 H new ATOM 0 HE1 MET A 22 -11.421 -21.829 23.082 1.00 34.42 H new ATOM 0 HE2 MET A 22 -11.735 -21.599 21.345 1.00 34.42 H new ATOM 0 HE3 MET A 22 -12.516 -22.937 22.222 1.00 34.42 H new ATOM 324 N ASP A 23 -11.218 -26.723 19.987 1.00 74.42 N ATOM 325 CA ASP A 23 -12.541 -27.257 19.665 1.00 12.13 C ATOM 326 C ASP A 23 -13.628 -26.310 20.167 1.00 74.30 C ATOM 327 O ASP A 23 -13.797 -26.121 21.375 1.00 71.42 O ATOM 328 CB ASP A 23 -12.717 -28.653 20.278 1.00 21.15 C ATOM 329 CG ASP A 23 -14.074 -29.289 19.983 1.00 3.10 C ATOM 330 OD1 ASP A 23 -14.675 -28.997 18.926 1.00 33.13 O ATOM 331 OD2 ASP A 23 -14.540 -30.107 20.807 1.00 40.20 O ATOM 0 H ASP A 23 -10.905 -26.931 20.935 1.00 74.42 H new ATOM 0 HA ASP A 23 -12.630 -27.344 18.582 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -11.930 -29.307 19.902 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -12.585 -28.585 21.358 1.00 21.15 H new ATOM 336 N ASP A 24 -14.349 -25.716 19.227 1.00 42.31 N ATOM 337 CA ASP A 24 -15.397 -24.740 19.530 1.00 42.05 C ATOM 338 C ASP A 24 -16.390 -24.704 18.362 1.00 40.34 C ATOM 339 O ASP A 24 -16.229 -25.456 17.398 1.00 21.12 O ATOM 340 CB ASP A 24 -14.761 -23.354 19.770 1.00 70.42 C ATOM 341 CG ASP A 24 -15.704 -22.352 20.432 1.00 43.13 C ATOM 342 OD1 ASP A 24 -15.730 -22.284 21.680 1.00 14.53 O ATOM 343 OD2 ASP A 24 -16.415 -21.625 19.712 1.00 1.13 O ATOM 0 H ASP A 24 -14.227 -25.894 18.230 1.00 42.31 H new ATOM 0 HA ASP A 24 -15.932 -25.024 20.436 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -13.876 -23.474 20.395 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -14.425 -22.948 18.816 1.00 70.42 H new ATOM 348 N GLU A 25 -17.409 -23.849 18.447 1.00 43.24 N ATOM 349 CA GLU A 25 -18.415 -23.735 17.390 1.00 32.13 C ATOM 350 C GLU A 25 -17.750 -23.418 16.050 1.00 71.11 C ATOM 351 O GLU A 25 -16.863 -22.563 15.973 1.00 11.21 O ATOM 352 CB GLU A 25 -19.445 -22.656 17.751 1.00 24.04 C ATOM 353 CG GLU A 25 -20.177 -22.918 19.065 1.00 41.52 C ATOM 354 CD GLU A 25 -20.889 -24.264 19.086 1.00 11.45 C ATOM 355 OE1 GLU A 25 -21.992 -24.369 18.510 1.00 25.03 O ATOM 356 OE2 GLU A 25 -20.345 -25.228 19.672 1.00 40.34 O ATOM 0 H GLU A 25 -17.560 -23.224 19.239 1.00 43.24 H new ATOM 0 HA GLU A 25 -18.932 -24.690 17.297 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -18.941 -21.692 17.813 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.177 -22.582 16.947 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -19.463 -22.877 19.888 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -20.905 -22.124 19.235 1.00 41.52 H new ATOM 363 N LEU A 26 -18.181 -24.111 14.999 1.00 21.21 N ATOM 364 CA LEU A 26 -17.519 -24.034 13.697 1.00 15.43 C ATOM 365 C LEU A 26 -18.015 -22.854 12.862 1.00 11.11 C ATOM 366 O LEU A 26 -19.198 -22.498 12.889 1.00 33.23 O ATOM 367 CB LEU A 26 -17.701 -25.343 12.909 1.00 3.44 C ATOM 368 CG LEU A 26 -16.985 -26.579 13.488 1.00 42.43 C ATOM 369 CD1 LEU A 26 -17.634 -27.038 14.793 1.00 63.11 C ATOM 370 CD2 LEU A 26 -16.956 -27.715 12.467 1.00 21.13 C ATOM 0 H LEU A 26 -18.988 -24.734 15.023 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.459 -23.879 13.896 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.767 -25.561 12.844 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.346 -25.185 11.891 1.00 3.44 H new ATOM 0 HG LEU A 26 -15.957 -26.293 13.712 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -17.105 -27.911 15.175 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -17.584 -26.234 15.527 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -18.677 -27.297 14.609 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.446 -28.577 12.897 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -17.976 -27.992 12.202 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -16.425 -27.387 11.573 1.00 21.13 H new ATOM 382 N TYR A 27 -17.079 -22.262 12.128 1.00 5.01 N ATOM 383 CA TYR A 27 -17.342 -21.195 11.175 1.00 1.23 C ATOM 384 C TYR A 27 -16.796 -21.602 9.811 1.00 21.45 C ATOM 385 O TYR A 27 -15.814 -22.349 9.728 1.00 35.30 O ATOM 386 CB TYR A 27 -16.661 -19.886 11.619 1.00 52.12 C ATOM 387 CG TYR A 27 -17.413 -19.094 12.672 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.804 -19.673 13.873 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.723 -17.753 12.460 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.484 -18.944 14.829 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.401 -17.018 13.410 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.780 -17.617 14.592 1.00 13.21 C ATOM 393 OH TYR A 27 -19.455 -16.888 15.541 1.00 30.44 O ATOM 0 H TYR A 27 -16.093 -22.519 12.182 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.418 -21.029 11.122 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.669 -20.123 12.004 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.519 -19.253 10.743 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.572 -20.711 14.062 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.427 -17.280 11.535 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.782 -19.410 15.757 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.634 -15.979 13.229 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.583 -15.971 15.219 1.00 30.44 H new ATOM 403 N PHE A 28 -17.441 -21.126 8.759 1.00 71.32 N ATOM 404 CA PHE A 28 -16.955 -21.302 7.396 1.00 10.14 C ATOM 405 C PHE A 28 -16.440 -19.977 6.861 1.00 42.44 C ATOM 406 O PHE A 28 -16.643 -18.930 7.478 1.00 44.14 O ATOM 407 CB PHE A 28 -18.077 -21.831 6.477 1.00 40.34 C ATOM 408 CG PHE A 28 -17.906 -23.272 6.078 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.683 -23.727 5.619 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.959 -24.171 6.160 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.514 -25.041 5.249 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.787 -25.492 5.792 1.00 21.32 C ATOM 413 CZ PHE A 28 -17.566 -25.925 5.336 1.00 60.33 C ATOM 0 H PHE A 28 -18.316 -20.606 8.823 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.146 -22.032 7.410 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -19.035 -21.715 6.985 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.117 -21.217 5.577 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.851 -23.042 5.550 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.922 -23.836 6.515 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.554 -25.380 4.889 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -19.613 -26.184 5.863 1.00 21.32 H new ATOM 0 HZ PHE A 28 -17.431 -26.957 5.046 1.00 60.33 H new ATOM 423 N VAL A 29 -15.776 -20.027 5.714 1.00 31.31 N ATOM 424 CA VAL A 29 -15.365 -18.824 5.018 1.00 3.35 C ATOM 425 C VAL A 29 -16.385 -18.564 3.915 1.00 63.31 C ATOM 426 O VAL A 29 -16.839 -19.503 3.278 1.00 22.10 O ATOM 427 CB VAL A 29 -13.939 -19.002 4.439 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.578 -17.878 3.473 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.911 -19.113 5.569 1.00 71.30 C ATOM 0 H VAL A 29 -15.511 -20.894 5.247 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.330 -17.972 5.697 1.00 3.35 H new ATOM 0 HB VAL A 29 -13.924 -19.931 3.869 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.571 -18.038 3.088 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.286 -17.869 2.644 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.619 -16.922 3.995 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -11.915 -19.238 5.144 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.936 -18.207 6.174 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.149 -19.974 6.194 1.00 71.30 H new ATOM 439 N VAL A 30 -16.799 -17.319 3.719 1.00 64.44 N ATOM 440 CA VAL A 30 -17.847 -17.016 2.746 1.00 74.31 C ATOM 441 C VAL A 30 -17.534 -15.760 1.949 1.00 41.10 C ATOM 442 O VAL A 30 -16.693 -14.937 2.351 1.00 44.12 O ATOM 443 CB VAL A 30 -19.232 -16.852 3.419 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.659 -18.149 4.096 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.227 -15.691 4.413 1.00 64.13 C ATOM 0 H VAL A 30 -16.431 -16.507 4.215 1.00 64.44 H new ATOM 0 HA VAL A 30 -17.880 -17.869 2.068 1.00 74.31 H new ATOM 0 HB VAL A 30 -19.960 -16.620 2.641 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.635 -18.012 4.563 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.721 -18.944 3.353 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.928 -18.420 4.857 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.212 -15.599 4.870 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.483 -15.878 5.188 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -18.982 -14.766 3.891 1.00 64.13 H new ATOM 455 N ARG A 31 -18.223 -15.627 0.814 1.00 74.21 N ATOM 456 CA ARG A 31 -18.043 -14.481 -0.082 1.00 61.34 C ATOM 457 C ARG A 31 -19.140 -14.458 -1.146 1.00 65.32 C ATOM 458 O ARG A 31 -19.915 -15.410 -1.257 1.00 35.24 O ATOM 459 CB ARG A 31 -16.679 -14.586 -0.776 1.00 41.42 C ATOM 460 CG ARG A 31 -16.582 -15.817 -1.667 1.00 24.13 C ATOM 461 CD ARG A 31 -15.248 -15.931 -2.386 1.00 34.43 C ATOM 462 NE ARG A 31 -15.243 -17.096 -3.271 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.163 -17.618 -3.841 1.00 70.33 C ATOM 464 NH1 ARG A 31 -12.963 -17.091 -3.634 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.296 -18.679 -4.627 1.00 53.34 N ATOM 0 H ARG A 31 -18.915 -16.303 0.491 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.096 -13.565 0.507 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.508 -13.691 -1.375 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -15.892 -14.621 -0.023 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -16.738 -16.709 -1.061 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.384 -15.788 -2.405 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.061 -15.026 -2.964 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.441 -16.016 -1.658 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.139 -17.542 -3.465 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -12.862 -16.275 -3.031 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.142 -17.502 -4.078 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -15.219 -19.083 -4.787 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.475 -19.091 -5.071 1.00 53.34 H new ATOM 479 N ASN A 32 -19.221 -13.363 -1.905 1.00 2.23 N ATOM 480 CA ASN A 32 -20.014 -13.334 -3.139 1.00 31.43 C ATOM 481 C ASN A 32 -19.654 -12.107 -3.976 1.00 1.13 C ATOM 482 O ASN A 32 -19.499 -11.016 -3.438 1.00 32.34 O ATOM 483 CB ASN A 32 -21.515 -13.299 -2.811 1.00 44.45 C ATOM 484 CG ASN A 32 -21.982 -11.938 -2.318 1.00 22.14 C ATOM 485 OD1 ASN A 32 -22.532 -11.140 -3.081 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.728 -11.645 -1.054 1.00 21.21 N ATOM 0 H ASN A 32 -18.749 -12.485 -1.689 1.00 2.23 H new ATOM 0 HA ASN A 32 -19.789 -14.237 -3.707 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.083 -13.572 -3.701 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -21.733 -14.049 -2.051 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -21.989 -10.733 -0.680 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -21.271 -12.331 -0.453 1.00 21.21 H new ATOM 493 N ASN A 33 -19.577 -12.305 -5.297 1.00 42.50 N ATOM 494 CA ASN A 33 -19.365 -11.233 -6.296 1.00 1.24 C ATOM 495 C ASN A 33 -18.295 -10.187 -5.891 1.00 14.24 C ATOM 496 O ASN A 33 -18.111 -9.183 -6.585 1.00 32.20 O ATOM 497 CB ASN A 33 -20.711 -10.539 -6.583 1.00 73.12 C ATOM 498 CG ASN A 33 -20.686 -9.690 -7.846 1.00 2.33 C ATOM 499 OD1 ASN A 33 -20.386 -8.495 -7.808 1.00 42.53 O ATOM 500 ND2 ASN A 33 -21.008 -10.298 -8.979 1.00 65.15 N ATOM 0 H ASN A 33 -19.661 -13.231 -5.717 1.00 42.50 H new ATOM 0 HA ASN A 33 -18.975 -11.713 -7.193 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.491 -11.295 -6.676 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -20.977 -9.909 -5.734 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -21.012 -9.775 -9.855 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -21.251 -11.289 -8.975 1.00 65.15 H new ATOM 507 N GLU A 34 -17.559 -10.437 -4.809 1.00 12.12 N ATOM 508 CA GLU A 34 -16.686 -9.419 -4.218 1.00 15.25 C ATOM 509 C GLU A 34 -15.206 -9.770 -4.376 1.00 55.43 C ATOM 510 O GLU A 34 -14.356 -8.882 -4.455 1.00 11.43 O ATOM 511 CB GLU A 34 -17.051 -9.226 -2.733 1.00 31.40 C ATOM 512 CG GLU A 34 -16.899 -10.481 -1.876 1.00 45.21 C ATOM 513 CD GLU A 34 -17.588 -10.355 -0.519 1.00 55.45 C ATOM 514 OE1 GLU A 34 -17.233 -9.438 0.255 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.501 -11.162 -0.231 1.00 52.32 O ATOM 0 H GLU A 34 -17.548 -11.334 -4.323 1.00 12.12 H new ATOM 0 HA GLU A 34 -16.845 -8.483 -4.753 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.423 -8.439 -2.317 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.082 -8.879 -2.667 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.314 -11.334 -2.412 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.839 -10.686 -1.723 1.00 45.21 H new ATOM 522 N GLY A 35 -14.901 -11.064 -4.413 1.00 13.30 N ATOM 523 CA GLY A 35 -13.522 -11.512 -4.571 1.00 3.53 C ATOM 524 C GLY A 35 -12.755 -11.550 -3.258 1.00 21.20 C ATOM 525 O GLY A 35 -11.769 -12.278 -3.133 1.00 11.05 O ATOM 0 H GLY A 35 -15.586 -11.816 -4.336 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -13.518 -12.507 -5.017 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.008 -10.849 -5.267 1.00 3.53 H new ATOM 529 N GLN A 36 -13.212 -10.771 -2.278 1.00 72.42 N ATOM 530 CA GLN A 36 -12.608 -10.770 -0.946 1.00 74.31 C ATOM 531 C GLN A 36 -13.261 -11.844 -0.076 1.00 21.04 C ATOM 532 O GLN A 36 -14.229 -12.482 -0.493 1.00 51.11 O ATOM 533 CB GLN A 36 -12.725 -9.383 -0.290 1.00 41.20 C ATOM 534 CG GLN A 36 -14.148 -8.836 -0.238 1.00 14.33 C ATOM 535 CD GLN A 36 -14.258 -7.488 0.465 1.00 24.11 C ATOM 536 OE1 GLN A 36 -13.320 -6.687 0.465 1.00 61.54 O ATOM 537 NE2 GLN A 36 -15.415 -7.220 1.052 1.00 51.11 N ATOM 0 H GLN A 36 -14.000 -10.132 -2.382 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.547 -10.999 -1.044 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -12.331 -9.439 0.725 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.097 -8.680 -0.837 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -14.528 -8.738 -1.255 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -14.787 -9.556 0.273 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -16.169 -7.907 1.032 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -15.552 -6.326 1.524 1.00 51.11 H new ATOM 546 N TYR A 37 -12.728 -12.046 1.125 1.00 44.03 N ATOM 547 CA TYR A 37 -13.178 -13.134 1.993 1.00 31.33 C ATOM 548 C TYR A 37 -13.796 -12.625 3.282 1.00 72.14 C ATOM 549 O TYR A 37 -13.438 -11.557 3.780 1.00 73.10 O ATOM 550 CB TYR A 37 -12.004 -14.060 2.332 1.00 65.43 C ATOM 551 CG TYR A 37 -11.659 -15.016 1.218 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.588 -15.954 0.806 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.428 -14.976 0.579 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.304 -16.840 -0.216 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.132 -15.855 -0.448 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.073 -16.787 -0.841 1.00 11.32 C ATOM 557 OH TYR A 37 -10.784 -17.663 -1.863 1.00 0.35 O ATOM 0 H TYR A 37 -11.984 -11.472 1.521 1.00 44.03 H new ATOM 0 HA TYR A 37 -13.944 -13.681 1.444 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.128 -13.455 2.566 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.247 -14.630 3.229 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.552 -15.995 1.291 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.691 -14.249 0.887 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.039 -17.569 -0.524 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.171 -15.813 -0.939 1.00 24.44 H new ATOM 0 HH TYR A 37 -9.878 -17.492 -2.194 1.00 0.35 H new ATOM 567 N SER A 38 -14.728 -13.409 3.813 1.00 71.15 N ATOM 568 CA SER A 38 -15.245 -13.198 5.154 1.00 73.51 C ATOM 569 C SER A 38 -15.539 -14.550 5.805 1.00 12.10 C ATOM 570 O SER A 38 -15.275 -15.590 5.206 1.00 11.10 O ATOM 571 CB SER A 38 -16.494 -12.307 5.122 1.00 52.44 C ATOM 572 OG SER A 38 -17.511 -12.865 4.304 1.00 71.45 O ATOM 0 H SER A 38 -15.143 -14.204 3.326 1.00 71.15 H new ATOM 0 HA SER A 38 -14.495 -12.680 5.752 1.00 73.51 H new ATOM 0 HB2 SER A 38 -16.873 -12.174 6.135 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.227 -11.318 4.749 1.00 52.44 H new ATOM 0 HG SER A 38 -17.134 -13.588 3.760 1.00 71.45 H new ATOM 578 N VAL A 39 -16.043 -14.541 7.038 1.00 63.03 N ATOM 579 CA VAL A 39 -16.386 -15.780 7.740 1.00 5.30 C ATOM 580 C VAL A 39 -17.867 -15.803 8.110 1.00 14.12 C ATOM 581 O VAL A 39 -18.544 -14.771 8.072 1.00 3.12 O ATOM 582 CB VAL A 39 -15.515 -15.996 9.002 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.073 -16.311 8.596 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.573 -14.776 9.923 1.00 24.42 C ATOM 0 H VAL A 39 -16.223 -13.691 7.572 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.180 -16.601 7.053 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.912 -16.846 9.558 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.468 -16.461 9.490 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.055 -17.216 7.989 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.668 -15.480 8.019 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.953 -14.954 10.802 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.204 -13.900 9.390 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.603 -14.604 10.235 1.00 24.42 H new ATOM 594 N TRP A 40 -18.357 -16.983 8.474 1.00 31.10 N ATOM 595 CA TRP A 40 -19.789 -17.212 8.658 1.00 74.31 C ATOM 596 C TRP A 40 -20.031 -18.315 9.683 1.00 25.31 C ATOM 597 O TRP A 40 -19.405 -19.373 9.626 1.00 1.51 O ATOM 598 CB TRP A 40 -20.392 -17.579 7.295 1.00 25.04 C ATOM 599 CG TRP A 40 -21.834 -18.003 7.299 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.920 -17.262 7.668 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.342 -19.266 6.857 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.070 -17.996 7.489 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.739 -19.223 6.989 1.00 73.33 C ATOM 604 CE3 TRP A 40 -21.749 -20.431 6.363 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.552 -20.289 6.643 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -22.560 -21.497 6.021 1.00 51.14 C ATOM 607 CH2 TRP A 40 -23.951 -21.418 6.158 1.00 71.21 C ATOM 0 H TRP A 40 -17.778 -17.804 8.649 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.268 -16.311 9.040 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.290 -16.719 6.633 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -19.799 -18.386 6.864 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.882 -16.250 8.044 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.016 -17.676 7.696 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -20.677 -20.497 6.250 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.625 -20.231 6.752 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -22.114 -22.405 5.642 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -24.561 -22.264 5.876 1.00 71.21 H new ATOM 618 N MET A 41 -20.928 -18.049 10.625 1.00 15.53 N ATOM 619 CA MET A 41 -21.288 -19.013 11.662 1.00 1.22 C ATOM 620 C MET A 41 -22.035 -20.193 11.046 1.00 72.33 C ATOM 621 O MET A 41 -23.012 -20.000 10.322 1.00 71.32 O ATOM 622 CB MET A 41 -22.158 -18.335 12.734 1.00 42.31 C ATOM 623 CG MET A 41 -22.682 -19.283 13.809 1.00 31.15 C ATOM 624 SD MET A 41 -21.367 -20.047 14.778 1.00 32.11 S ATOM 625 CE MET A 41 -22.323 -21.086 15.881 1.00 73.30 C ATOM 0 H MET A 41 -21.426 -17.162 10.693 1.00 15.53 H new ATOM 0 HA MET A 41 -20.376 -19.382 12.132 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.576 -17.547 13.213 1.00 42.31 H new ATOM 0 HB3 MET A 41 -23.006 -17.853 12.246 1.00 42.31 H new ATOM 0 HG2 MET A 41 -23.346 -18.734 14.477 1.00 31.15 H new ATOM 0 HG3 MET A 41 -23.279 -20.064 13.337 1.00 31.15 H new ATOM 0 HE1 MET A 41 -21.919 -21.013 16.891 1.00 73.30 H new ATOM 0 HE2 MET A 41 -23.362 -20.757 15.881 1.00 73.30 H new ATOM 0 HE3 MET A 41 -22.270 -22.121 15.543 1.00 73.30 H new ATOM 635 N ASP A 42 -21.568 -21.406 11.322 1.00 51.30 N ATOM 636 CA ASP A 42 -22.211 -22.612 10.801 1.00 11.42 C ATOM 637 C ASP A 42 -23.477 -22.907 11.606 1.00 34.45 C ATOM 638 O ASP A 42 -23.625 -22.435 12.734 1.00 34.15 O ATOM 639 CB ASP A 42 -21.241 -23.803 10.859 1.00 70.44 C ATOM 640 CG ASP A 42 -21.707 -24.996 10.034 1.00 62.11 C ATOM 641 OD1 ASP A 42 -22.555 -25.774 10.518 1.00 14.52 O ATOM 642 OD2 ASP A 42 -21.220 -25.163 8.895 1.00 62.33 O ATOM 0 H ASP A 42 -20.748 -21.582 11.902 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.486 -22.450 9.759 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.262 -23.483 10.503 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -21.118 -24.113 11.897 1.00 70.44 H new ATOM 647 N GLY A 43 -24.385 -23.688 11.030 1.00 43.50 N ATOM 648 CA GLY A 43 -25.656 -23.965 11.680 1.00 3.14 C ATOM 649 C GLY A 43 -26.752 -23.032 11.205 1.00 31.24 C ATOM 650 O GLY A 43 -27.753 -22.831 11.893 1.00 3.04 O ATOM 0 H GLY A 43 -24.264 -24.136 10.122 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.947 -24.997 11.482 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.540 -23.868 12.759 1.00 3.14 H new ATOM 654 N ARG A 44 -26.547 -22.443 10.030 1.00 4.12 N ATOM 655 CA ARG A 44 -27.547 -21.590 9.389 1.00 32.44 C ATOM 656 C ARG A 44 -27.426 -21.708 7.872 1.00 64.22 C ATOM 657 O ARG A 44 -26.578 -22.449 7.372 1.00 52.23 O ATOM 658 CB ARG A 44 -27.378 -20.124 9.834 1.00 0.23 C ATOM 659 CG ARG A 44 -25.945 -19.614 9.758 1.00 25.34 C ATOM 660 CD ARG A 44 -25.828 -18.156 10.195 1.00 30.41 C ATOM 661 NE ARG A 44 -26.614 -17.256 9.344 1.00 65.32 N ATOM 662 CZ ARG A 44 -26.208 -16.047 8.954 1.00 41.11 C ATOM 663 NH1 ARG A 44 -25.019 -15.581 9.318 1.00 33.33 N ATOM 664 NH2 ARG A 44 -26.992 -15.301 8.196 1.00 23.54 N ATOM 0 H ARG A 44 -25.684 -22.543 9.495 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.540 -21.921 9.693 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -28.011 -19.491 9.212 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -27.735 -20.023 10.859 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -25.307 -20.233 10.389 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -25.579 -19.716 8.737 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -26.163 -18.060 11.228 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -24.781 -17.854 10.170 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.530 -17.576 9.030 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -24.405 -16.149 9.902 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -24.719 -14.655 9.014 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -27.907 -15.650 7.910 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -26.683 -14.376 7.897 1.00 23.54 H new ATOM 678 N SER A 45 -28.284 -21.002 7.148 1.00 20.53 N ATOM 679 CA SER A 45 -28.203 -20.945 5.693 1.00 5.15 C ATOM 680 C SER A 45 -27.743 -19.559 5.262 1.00 72.32 C ATOM 681 O SER A 45 -27.937 -18.576 5.982 1.00 4.10 O ATOM 682 CB SER A 45 -29.564 -21.284 5.065 1.00 43.33 C ATOM 683 OG SER A 45 -30.030 -22.557 5.496 1.00 24.12 O ATOM 0 H SER A 45 -29.049 -20.457 7.547 1.00 20.53 H new ATOM 0 HA SER A 45 -27.479 -21.682 5.346 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.292 -20.518 5.334 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.478 -21.275 3.978 1.00 43.33 H new ATOM 0 HG SER A 45 -30.898 -22.745 5.082 1.00 24.12 H new ATOM 689 N LEU A 46 -27.124 -19.492 4.096 1.00 30.11 N ATOM 690 CA LEU A 46 -26.527 -18.261 3.606 1.00 41.30 C ATOM 691 C LEU A 46 -27.406 -17.645 2.518 1.00 52.25 C ATOM 692 O LEU A 46 -27.822 -18.344 1.591 1.00 65.25 O ATOM 693 CB LEU A 46 -25.126 -18.569 3.062 1.00 31.30 C ATOM 694 CG LEU A 46 -24.127 -17.408 3.057 1.00 40.51 C ATOM 695 CD1 LEU A 46 -24.040 -16.740 4.425 1.00 14.34 C ATOM 696 CD2 LEU A 46 -22.758 -17.922 2.642 1.00 11.43 C ATOM 0 H LEU A 46 -27.021 -20.286 3.464 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.446 -17.541 4.420 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -24.702 -19.382 3.651 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.229 -18.935 2.041 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.474 -16.660 2.344 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -23.322 -15.921 4.385 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -25.020 -16.351 4.703 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.716 -17.470 5.167 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -22.046 -17.097 2.638 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -22.426 -18.684 3.347 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -22.819 -18.354 1.643 1.00 11.43 H new ATOM 708 N PRO A 47 -27.734 -16.342 2.648 1.00 40.22 N ATOM 709 CA PRO A 47 -28.504 -15.595 1.644 1.00 35.22 C ATOM 710 C PRO A 47 -28.103 -15.932 0.199 1.00 3.22 C ATOM 711 O PRO A 47 -26.912 -15.969 -0.139 1.00 43.43 O ATOM 712 CB PRO A 47 -28.164 -14.141 1.978 1.00 55.23 C ATOM 713 CG PRO A 47 -27.940 -14.135 3.457 1.00 33.22 C ATOM 714 CD PRO A 47 -27.400 -15.501 3.818 1.00 72.34 C ATOM 0 HA PRO A 47 -29.568 -15.830 1.685 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -27.275 -13.809 1.441 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -28.976 -13.470 1.697 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.235 -13.353 3.739 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -28.870 -13.933 3.989 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.325 -15.471 3.993 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.861 -15.884 4.729 1.00 72.34 H new ATOM 722 N ALA A 48 -29.112 -16.174 -0.641 1.00 24.10 N ATOM 723 CA ALA A 48 -28.899 -16.527 -2.042 1.00 45.31 C ATOM 724 C ALA A 48 -27.958 -15.538 -2.723 1.00 10.30 C ATOM 725 O ALA A 48 -28.155 -14.321 -2.653 1.00 50.42 O ATOM 726 CB ALA A 48 -30.231 -16.592 -2.779 1.00 71.43 C ATOM 0 H ALA A 48 -30.094 -16.131 -0.369 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.431 -17.511 -2.076 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.057 -16.856 -3.822 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -30.867 -17.346 -2.315 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -30.723 -15.621 -2.728 1.00 71.43 H new ATOM 732 N GLY A 49 -26.931 -16.073 -3.368 1.00 61.20 N ATOM 733 CA GLY A 49 -25.912 -15.253 -3.994 1.00 60.31 C ATOM 734 C GLY A 49 -24.578 -15.431 -3.304 1.00 71.01 C ATOM 735 O GLY A 49 -23.524 -15.397 -3.945 1.00 13.20 O ATOM 0 H GLY A 49 -26.784 -17.077 -3.470 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -25.820 -15.520 -5.047 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.209 -14.205 -3.956 1.00 60.31 H new ATOM 739 N TRP A 50 -24.629 -15.638 -1.986 1.00 52.24 N ATOM 740 CA TRP A 50 -23.426 -15.888 -1.199 1.00 31.12 C ATOM 741 C TRP A 50 -22.950 -17.319 -1.408 1.00 32.34 C ATOM 742 O TRP A 50 -23.729 -18.191 -1.798 1.00 34.24 O ATOM 743 CB TRP A 50 -23.692 -15.635 0.292 1.00 51.44 C ATOM 744 CG TRP A 50 -23.963 -14.194 0.619 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.064 -13.464 0.275 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.113 -13.312 1.362 1.00 52.50 C ATOM 747 NE1 TRP A 50 -24.947 -12.182 0.753 1.00 1.04 N ATOM 748 CE2 TRP A 50 -23.760 -12.063 1.422 1.00 0.44 C ATOM 749 CE3 TRP A 50 -21.866 -13.457 1.977 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.203 -10.967 2.076 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.316 -12.367 2.627 1.00 43.03 C ATOM 752 CH2 TRP A 50 -21.983 -11.136 2.670 1.00 53.43 C ATOM 0 H TRP A 50 -25.493 -15.637 -1.444 1.00 52.24 H new ATOM 0 HA TRP A 50 -22.648 -15.202 -1.533 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.544 -16.237 0.608 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -22.831 -15.974 0.869 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -25.904 -13.840 -0.290 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -25.634 -11.439 0.629 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.343 -14.401 1.945 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -23.716 -10.017 2.113 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.355 -12.467 3.110 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -21.524 -10.303 3.183 1.00 53.43 H new ATOM 763 N GLU A 51 -21.671 -17.557 -1.149 1.00 31.52 N ATOM 764 CA GLU A 51 -21.096 -18.883 -1.294 1.00 65.54 C ATOM 765 C GLU A 51 -20.154 -19.174 -0.136 1.00 44.41 C ATOM 766 O GLU A 51 -19.566 -18.247 0.457 1.00 23.22 O ATOM 767 CB GLU A 51 -20.352 -19.016 -2.629 1.00 21.21 C ATOM 768 CG GLU A 51 -19.096 -18.160 -2.720 1.00 31.04 C ATOM 769 CD GLU A 51 -18.453 -18.208 -4.095 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.034 -17.644 -5.043 1.00 74.23 O ATOM 771 OE2 GLU A 51 -17.367 -18.818 -4.237 1.00 2.31 O ATOM 0 H GLU A 51 -21.012 -16.844 -0.836 1.00 31.52 H new ATOM 0 HA GLU A 51 -21.908 -19.610 -1.284 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.080 -20.061 -2.780 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.027 -18.742 -3.440 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.346 -17.128 -2.476 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.376 -18.498 -1.975 1.00 31.04 H new ATOM 778 N THR A 52 -20.017 -20.462 0.159 1.00 32.54 N ATOM 779 CA THR A 52 -19.202 -20.952 1.261 1.00 63.35 C ATOM 780 C THR A 52 -17.908 -21.572 0.736 1.00 21.15 C ATOM 781 O THR A 52 -17.851 -22.043 -0.404 1.00 10.23 O ATOM 782 CB THR A 52 -19.981 -21.999 2.087 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.528 -22.995 1.213 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.112 -21.350 2.876 1.00 41.04 C ATOM 0 H THR A 52 -20.476 -21.204 -0.369 1.00 32.54 H new ATOM 0 HA THR A 52 -18.956 -20.106 1.902 1.00 63.35 H new ATOM 0 HB THR A 52 -19.286 -22.458 2.790 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.020 -23.658 1.740 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.642 -22.113 3.447 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.700 -20.607 3.558 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.805 -20.866 2.188 1.00 41.04 H new ATOM 792 N VAL A 53 -16.882 -21.573 1.581 1.00 23.41 N ATOM 793 CA VAL A 53 -15.540 -22.010 1.212 1.00 22.34 C ATOM 794 C VAL A 53 -14.698 -22.294 2.457 1.00 44.25 C ATOM 795 O VAL A 53 -15.030 -21.858 3.583 1.00 74.21 O ATOM 796 CB VAL A 53 -14.790 -20.959 0.325 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.031 -21.210 -1.166 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.202 -19.531 0.695 1.00 31.43 C ATOM 0 H VAL A 53 -16.960 -21.267 2.551 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.667 -22.923 0.630 1.00 22.34 H new ATOM 0 HB VAL A 53 -13.724 -21.074 0.521 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.496 -20.463 -1.752 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.671 -22.204 -1.430 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.098 -21.142 -1.379 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.666 -18.822 0.064 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.275 -19.411 0.545 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -14.959 -19.341 1.740 1.00 31.43 H new ATOM 808 N GLY A 54 -13.616 -23.041 2.242 1.00 3.04 N ATOM 809 CA GLY A 54 -12.655 -23.313 3.288 1.00 22.23 C ATOM 810 C GLY A 54 -12.950 -24.595 4.033 1.00 33.01 C ATOM 811 O GLY A 54 -13.342 -25.600 3.438 1.00 72.20 O ATOM 0 H GLY A 54 -13.390 -23.467 1.343 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.657 -23.372 2.853 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.647 -22.482 3.993 1.00 22.23 H new ATOM 815 N GLU A 55 -12.759 -24.548 5.336 1.00 4.43 N ATOM 816 CA GLU A 55 -12.999 -25.681 6.217 1.00 31.03 C ATOM 817 C GLU A 55 -13.639 -25.164 7.497 1.00 24.14 C ATOM 818 O GLU A 55 -13.181 -24.158 8.045 1.00 23.13 O ATOM 819 CB GLU A 55 -11.674 -26.388 6.528 1.00 24.22 C ATOM 820 CG GLU A 55 -11.732 -27.361 7.703 1.00 31.31 C ATOM 821 CD GLU A 55 -10.358 -27.867 8.109 1.00 15.13 C ATOM 822 OE1 GLU A 55 -9.438 -27.034 8.275 1.00 72.41 O ATOM 823 OE2 GLU A 55 -10.193 -29.092 8.276 1.00 54.04 O ATOM 0 H GLU A 55 -12.429 -23.714 5.822 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.664 -26.400 5.738 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -11.350 -26.931 5.640 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.915 -25.634 6.735 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -12.201 -26.869 8.555 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -12.364 -28.209 7.438 1.00 31.31 H new ATOM 830 N PRO A 56 -14.708 -25.817 7.985 1.00 15.13 N ATOM 831 CA PRO A 56 -15.422 -25.344 9.166 1.00 1.52 C ATOM 832 C PRO A 56 -14.582 -25.530 10.426 1.00 72.40 C ATOM 833 O PRO A 56 -14.307 -26.658 10.849 1.00 53.12 O ATOM 834 CB PRO A 56 -16.688 -26.203 9.183 1.00 31.21 C ATOM 835 CG PRO A 56 -16.285 -27.470 8.512 1.00 3.01 C ATOM 836 CD PRO A 56 -15.290 -27.071 7.454 1.00 64.45 C ATOM 0 HA PRO A 56 -15.647 -24.278 9.137 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -17.031 -26.385 10.201 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.506 -25.715 8.653 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.842 -28.166 9.224 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -17.147 -27.971 8.070 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -14.529 -27.837 7.309 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.771 -26.913 6.489 1.00 64.45 H new ATOM 844 N ALA A 57 -14.170 -24.414 11.009 1.00 33.55 N ATOM 845 CA ALA A 57 -13.234 -24.415 12.134 1.00 55.44 C ATOM 846 C ALA A 57 -13.597 -23.328 13.137 1.00 31.23 C ATOM 847 O ALA A 57 -14.492 -22.528 12.891 1.00 52.10 O ATOM 848 CB ALA A 57 -11.809 -24.211 11.623 1.00 52.45 C ATOM 0 H ALA A 57 -14.471 -23.483 10.720 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.296 -25.379 12.639 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.117 -24.213 12.465 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.549 -25.018 10.938 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.743 -23.256 11.101 1.00 52.45 H new ATOM 854 N THR A 58 -12.898 -23.291 14.263 1.00 61.34 N ATOM 855 CA THR A 58 -13.170 -22.294 15.292 1.00 41.54 C ATOM 856 C THR A 58 -12.872 -20.879 14.767 1.00 53.23 C ATOM 857 O THR A 58 -12.107 -20.711 13.810 1.00 72.34 O ATOM 858 CB THR A 58 -12.351 -22.578 16.575 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.780 -21.717 17.640 1.00 12.31 O ATOM 860 CG2 THR A 58 -10.856 -22.387 16.338 1.00 4.31 C ATOM 0 H THR A 58 -12.141 -23.937 14.488 1.00 61.34 H new ATOM 0 HA THR A 58 -14.228 -22.355 15.546 1.00 41.54 H new ATOM 0 HB THR A 58 -12.525 -23.618 16.852 1.00 32.00 H new ATOM 0 HG1 THR A 58 -12.256 -21.907 18.446 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.312 -22.595 17.259 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.521 -23.070 15.557 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.665 -21.360 16.028 1.00 4.31 H new ATOM 868 N LYS A 59 -13.487 -19.876 15.401 1.00 20.01 N ATOM 869 CA LYS A 59 -13.360 -18.468 15.003 1.00 44.32 C ATOM 870 C LYS A 59 -11.906 -18.097 14.693 1.00 75.31 C ATOM 871 O LYS A 59 -11.606 -17.562 13.622 1.00 55.41 O ATOM 872 CB LYS A 59 -13.904 -17.568 16.126 1.00 22.43 C ATOM 873 CG LYS A 59 -13.774 -16.067 15.866 1.00 75.31 C ATOM 874 CD LYS A 59 -14.616 -15.607 14.678 1.00 22.03 C ATOM 875 CE LYS A 59 -14.589 -14.089 14.526 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.162 -13.395 15.714 1.00 44.44 N ATOM 0 H LYS A 59 -14.091 -20.018 16.210 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.940 -18.318 14.093 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.956 -17.805 16.285 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.380 -17.809 17.051 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -14.078 -15.519 16.758 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.728 -15.822 15.683 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.243 -16.072 13.765 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.645 -15.942 14.809 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.561 -13.759 14.375 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.150 -13.804 13.636 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.391 -12.412 15.465 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -16.027 -13.885 16.019 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -14.468 -13.403 16.489 1.00 44.44 H new ATOM 890 N GLN A 60 -11.015 -18.407 15.632 1.00 12.52 N ATOM 891 CA GLN A 60 -9.592 -18.086 15.498 1.00 60.11 C ATOM 892 C GLN A 60 -8.997 -18.661 14.207 1.00 73.42 C ATOM 893 O GLN A 60 -8.298 -17.963 13.472 1.00 12.21 O ATOM 894 CB GLN A 60 -8.817 -18.605 16.718 1.00 71.20 C ATOM 895 CG GLN A 60 -9.141 -17.857 18.010 1.00 21.32 C ATOM 896 CD GLN A 60 -8.512 -18.496 19.240 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.376 -18.195 19.607 1.00 72.30 O ATOM 898 NE2 GLN A 60 -9.260 -19.371 19.897 1.00 42.31 N ATOM 0 H GLN A 60 -11.254 -18.884 16.501 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.500 -17.001 15.447 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.038 -19.663 16.855 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -7.748 -18.526 16.520 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -8.794 -16.827 17.924 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -10.223 -17.819 18.140 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -10.197 -19.595 19.561 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -8.899 -19.821 20.738 1.00 42.31 H new ATOM 907 N GLN A 61 -9.298 -19.922 13.924 1.00 11.51 N ATOM 908 CA GLN A 61 -8.746 -20.596 12.750 1.00 25.23 C ATOM 909 C GLN A 61 -9.367 -20.056 11.462 1.00 25.12 C ATOM 910 O GLN A 61 -8.715 -20.010 10.417 1.00 72.45 O ATOM 911 CB GLN A 61 -8.965 -22.109 12.846 1.00 32.13 C ATOM 912 CG GLN A 61 -8.173 -22.776 13.967 1.00 4.10 C ATOM 913 CD GLN A 61 -8.412 -24.272 14.043 1.00 71.32 C ATOM 914 OE1 GLN A 61 -9.495 -24.757 13.719 1.00 3.32 O ATOM 915 NE2 GLN A 61 -7.403 -25.015 14.468 1.00 15.31 N ATOM 0 H GLN A 61 -9.920 -20.500 14.489 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.675 -20.396 12.723 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.027 -22.304 12.998 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.689 -22.568 11.896 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -7.110 -22.589 13.816 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.444 -22.320 14.919 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.520 -24.575 14.728 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -7.508 -26.027 14.536 1.00 15.31 H new ATOM 924 N CYS A 62 -10.630 -19.650 11.542 1.00 12.43 N ATOM 925 CA CYS A 62 -11.343 -19.122 10.384 1.00 63.15 C ATOM 926 C CYS A 62 -10.773 -17.764 9.960 1.00 45.14 C ATOM 927 O CYS A 62 -10.499 -17.547 8.777 1.00 24.33 O ATOM 928 CB CYS A 62 -12.844 -19.031 10.687 1.00 43.44 C ATOM 929 SG CYS A 62 -13.599 -20.632 11.029 1.00 5.43 S ATOM 0 H CYS A 62 -11.182 -19.677 12.399 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.205 -19.806 9.546 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -12.996 -18.375 11.544 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.352 -18.571 9.839 1.00 43.44 H new ATOM 0 HG CYS A 62 -13.432 -20.931 12.283 1.00 5.43 H new ATOM 935 N LEU A 63 -10.570 -16.856 10.918 1.00 32.10 N ATOM 936 CA LEU A 63 -9.980 -15.553 10.605 1.00 54.21 C ATOM 937 C LEU A 63 -8.521 -15.710 10.189 1.00 45.12 C ATOM 938 O LEU A 63 -8.034 -15.000 9.308 1.00 0.30 O ATOM 939 CB LEU A 63 -10.123 -14.560 11.778 1.00 51.43 C ATOM 940 CG LEU A 63 -9.637 -15.038 13.166 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.132 -14.830 13.335 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.406 -14.329 14.283 1.00 43.32 C ATOM 0 H LEU A 63 -10.801 -16.995 11.902 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.533 -15.134 9.764 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.577 -13.652 11.522 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.174 -14.286 11.863 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.834 -16.108 13.233 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.825 -15.177 14.322 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.599 -15.394 12.570 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.898 -13.770 13.234 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -10.048 -14.680 15.251 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.249 -13.253 14.207 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.470 -14.548 14.188 1.00 43.32 H new ATOM 954 N GLN A 64 -7.833 -16.652 10.822 1.00 23.35 N ATOM 955 CA GLN A 64 -6.448 -16.946 10.485 1.00 61.05 C ATOM 956 C GLN A 64 -6.356 -17.406 9.036 1.00 42.03 C ATOM 957 O GLN A 64 -5.479 -16.974 8.285 1.00 43.03 O ATOM 958 CB GLN A 64 -5.895 -18.036 11.413 1.00 61.12 C ATOM 959 CG GLN A 64 -4.424 -18.378 11.171 1.00 33.54 C ATOM 960 CD GLN A 64 -3.959 -19.566 11.997 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.500 -19.411 13.128 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.078 -20.760 11.436 1.00 60.21 N ATOM 0 H GLN A 64 -8.214 -17.226 11.574 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.855 -16.041 10.614 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.016 -17.713 12.447 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.492 -18.940 11.289 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.274 -18.594 10.113 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.809 -17.511 11.410 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.464 -20.846 10.496 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -3.784 -21.594 11.944 1.00 60.21 H new ATOM 971 N ARG A 65 -7.293 -18.272 8.651 1.00 40.34 N ATOM 972 CA ARG A 65 -7.308 -18.884 7.353 1.00 13.52 C ATOM 973 C ARG A 65 -7.417 -17.849 6.236 1.00 14.24 C ATOM 974 O ARG A 65 -6.579 -17.813 5.339 1.00 44.41 O ATOM 975 CB ARG A 65 -8.502 -19.822 7.337 1.00 2.22 C ATOM 976 CG ARG A 65 -8.484 -20.841 6.239 1.00 23.32 C ATOM 977 CD ARG A 65 -9.590 -21.845 6.452 1.00 54.45 C ATOM 978 NE ARG A 65 -9.550 -22.446 7.792 1.00 65.22 N ATOM 979 CZ ARG A 65 -9.406 -23.755 8.022 1.00 14.34 C ATOM 980 NH1 ARG A 65 -9.206 -24.590 7.012 1.00 74.43 N ATOM 981 NH2 ARG A 65 -9.442 -24.228 9.260 1.00 73.25 N ATOM 0 H ARG A 65 -8.066 -18.562 9.250 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.376 -19.420 7.174 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.552 -20.341 8.294 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.412 -19.228 7.248 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.607 -20.350 5.274 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.520 -21.348 6.218 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -10.553 -21.357 6.304 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -9.513 -22.632 5.701 1.00 54.45 H new ATOM 0 HE ARG A 65 -9.638 -21.826 8.597 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -9.162 -24.234 6.057 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -9.096 -25.588 7.190 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -9.580 -23.592 10.045 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -9.331 -25.228 9.427 1.00 73.25 H new ATOM 995 N ILE A 66 -8.427 -16.984 6.322 1.00 5.32 N ATOM 996 CA ILE A 66 -8.682 -15.998 5.271 1.00 74.32 C ATOM 997 C ILE A 66 -7.529 -15.012 5.138 1.00 34.13 C ATOM 998 O ILE A 66 -7.227 -14.536 4.037 1.00 70.50 O ATOM 999 CB ILE A 66 -10.006 -15.231 5.498 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -10.094 -14.683 6.927 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -11.195 -16.135 5.203 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.308 -13.812 7.158 1.00 42.21 C ATOM 0 H ILE A 66 -9.080 -16.945 7.105 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.772 -16.560 4.341 1.00 74.32 H new ATOM 0 HB ILE A 66 -10.026 -14.383 4.813 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -10.115 -15.517 7.628 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -9.195 -14.106 7.144 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -12.121 -15.583 5.367 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -11.150 -16.469 4.166 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -11.167 -17.001 5.865 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.310 -13.457 8.189 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -11.278 -12.959 6.480 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -12.212 -14.392 6.972 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.877 -14.720 6.256 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.701 -13.865 6.252 1.00 71.01 C ATOM 1016 C GLU A 67 -4.564 -14.518 5.468 1.00 51.43 C ATOM 1017 O GLU A 67 -3.777 -13.832 4.829 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.271 -13.546 7.689 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.200 -12.561 8.392 1.00 14.42 C ATOM 1020 CD GLU A 67 -6.087 -11.148 7.838 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.712 -10.862 6.797 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -5.378 -10.314 8.448 1.00 43.23 O ATOM 0 H GLU A 67 -7.145 -15.064 7.178 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.952 -12.927 5.756 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.232 -14.472 8.263 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.261 -13.136 7.676 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.230 -12.905 8.292 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -5.970 -12.548 9.457 1.00 14.42 H new ATOM 1029 N GLN A 68 -4.497 -15.847 5.506 1.00 2.11 N ATOM 1030 CA GLN A 68 -3.478 -16.592 4.756 1.00 35.25 C ATOM 1031 C GLN A 68 -3.954 -16.864 3.323 1.00 3.20 C ATOM 1032 O GLN A 68 -3.326 -17.616 2.577 1.00 2.44 O ATOM 1033 CB GLN A 68 -3.146 -17.918 5.462 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.770 -17.764 6.934 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.594 -16.826 7.168 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.691 -16.708 6.340 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.597 -16.150 8.310 1.00 13.54 N ATOM 0 H GLN A 68 -5.134 -16.433 6.046 1.00 2.11 H new ATOM 0 HA GLN A 68 -2.575 -15.983 4.715 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -4.006 -18.583 5.386 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -2.322 -18.401 4.936 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -3.635 -17.393 7.484 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.528 -18.745 7.343 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -2.362 -16.273 8.973 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.834 -15.508 8.524 1.00 13.54 H new ATOM 1046 N LEU A 69 -5.081 -16.265 2.956 1.00 70.13 N ATOM 1047 CA LEU A 69 -5.632 -16.397 1.603 1.00 22.31 C ATOM 1048 C LEU A 69 -5.365 -15.132 0.790 1.00 33.43 C ATOM 1049 O LEU A 69 -4.726 -15.166 -0.263 1.00 63.24 O ATOM 1050 CB LEU A 69 -7.145 -16.669 1.638 1.00 23.42 C ATOM 1051 CG LEU A 69 -7.591 -17.891 2.458 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -9.078 -18.176 2.256 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -6.755 -19.117 2.112 1.00 42.22 C ATOM 0 H LEU A 69 -5.638 -15.678 3.578 1.00 70.13 H new ATOM 0 HA LEU A 69 -5.136 -17.245 1.131 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -7.644 -15.786 2.038 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -7.495 -16.796 0.614 1.00 23.42 H new ATOM 0 HG LEU A 69 -7.432 -17.659 3.511 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -9.366 -19.045 2.848 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -9.661 -17.312 2.574 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -9.270 -18.375 1.202 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -7.092 -19.966 2.706 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -6.868 -19.348 1.053 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -5.706 -18.915 2.329 1.00 42.22 H new ATOM 1065 N TRP A 70 -5.939 -14.029 1.270 1.00 4.00 N ATOM 1066 CA TRP A 70 -5.815 -12.721 0.628 1.00 33.32 C ATOM 1067 C TRP A 70 -4.542 -12.002 1.088 1.00 14.11 C ATOM 1068 O TRP A 70 -3.750 -11.507 0.280 1.00 5.44 O ATOM 1069 CB TRP A 70 -7.057 -11.879 0.965 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.124 -10.552 0.258 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.530 -9.382 0.642 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.845 -10.259 -0.946 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -6.835 -8.384 -0.254 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.639 -8.897 -1.235 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -8.640 -11.018 -1.811 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.203 -8.278 -2.347 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -9.198 -10.401 -2.916 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.977 -9.044 -3.176 1.00 22.44 C ATOM 0 H TRP A 70 -6.505 -14.018 2.118 1.00 4.00 H new ATOM 0 HA TRP A 70 -5.745 -12.859 -0.451 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -7.949 -12.454 0.716 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -7.081 -11.705 2.041 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -5.912 -9.259 1.519 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -6.514 -7.418 -0.196 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -8.815 -12.066 -1.620 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.036 -7.230 -2.548 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -9.815 -10.977 -3.590 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -9.426 -8.592 -4.048 1.00 22.44 H new ATOM 1089 N THR A 71 -4.374 -11.958 2.401 1.00 54.12 N ATOM 1090 CA THR A 71 -3.338 -11.171 3.049 1.00 14.01 C ATOM 1091 C THR A 71 -2.008 -11.935 3.152 1.00 15.51 C ATOM 1092 O THR A 71 -0.978 -11.347 3.489 1.00 20.13 O ATOM 1093 CB THR A 71 -3.821 -10.739 4.457 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.176 -10.270 4.371 1.00 21.02 O ATOM 1095 CG2 THR A 71 -2.942 -9.637 5.029 1.00 55.35 C ATOM 0 H THR A 71 -4.962 -12.475 3.054 1.00 54.12 H new ATOM 0 HA THR A 71 -3.153 -10.290 2.435 1.00 14.01 H new ATOM 0 HB THR A 71 -3.761 -11.603 5.119 1.00 13.44 H new ATOM 0 HG1 THR A 71 -5.647 -10.476 5.205 1.00 21.02 H new ATOM 0 HG21 THR A 71 -3.307 -9.356 6.017 1.00 55.35 H new ATOM 0 HG22 THR A 71 -1.916 -9.995 5.110 1.00 55.35 H new ATOM 0 HG23 THR A 71 -2.973 -8.769 4.371 1.00 55.35 H new ATOM 1103 N ASP A 72 -2.048 -13.241 2.850 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.925 -14.165 3.097 1.00 73.31 C ATOM 1105 C ASP A 72 0.428 -13.557 2.740 1.00 64.32 C ATOM 1106 O ASP A 72 1.419 -13.759 3.453 1.00 42.51 O ATOM 1107 CB ASP A 72 -1.101 -15.455 2.291 1.00 14.44 C ATOM 1108 CG ASP A 72 -1.151 -15.210 0.790 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -2.059 -14.487 0.342 1.00 33.45 O ATOM 1110 OD2 ASP A 72 -0.281 -15.730 0.055 1.00 35.04 O ATOM 0 H ASP A 72 -2.860 -13.690 2.427 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.937 -14.375 4.166 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -0.279 -16.134 2.517 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -2.019 -15.951 2.604 1.00 14.44 H new ATOM 1115 N MET A 73 0.473 -12.824 1.632 1.00 3.33 N ATOM 1116 CA MET A 73 1.698 -12.151 1.220 1.00 42.30 C ATOM 1117 C MET A 73 1.967 -10.965 2.144 1.00 21.21 C ATOM 1118 O MET A 73 1.668 -9.811 1.812 1.00 61.04 O ATOM 1119 CB MET A 73 1.612 -11.700 -0.244 1.00 75.02 C ATOM 1120 CG MET A 73 2.913 -11.122 -0.784 1.00 60.21 C ATOM 1121 SD MET A 73 4.301 -12.264 -0.618 1.00 34.12 S ATOM 1122 CE MET A 73 3.711 -13.673 -1.560 1.00 71.41 C ATOM 0 H MET A 73 -0.320 -12.682 1.007 1.00 3.33 H new ATOM 0 HA MET A 73 2.529 -12.853 1.297 1.00 42.30 H new ATOM 0 HB2 MET A 73 1.319 -12.550 -0.860 1.00 75.02 H new ATOM 0 HB3 MET A 73 0.825 -10.952 -0.339 1.00 75.02 H new ATOM 0 HG2 MET A 73 2.783 -10.864 -1.835 1.00 60.21 H new ATOM 0 HG3 MET A 73 3.143 -10.197 -0.255 1.00 60.21 H new ATOM 0 HE1 MET A 73 4.547 -14.333 -1.789 1.00 71.41 H new ATOM 0 HE2 MET A 73 2.969 -14.217 -0.975 1.00 71.41 H new ATOM 0 HE3 MET A 73 3.258 -13.326 -2.488 1.00 71.41 H new ATOM 1132 N VAL A 74 2.490 -11.277 3.324 1.00 33.41 N ATOM 1133 CA VAL A 74 2.763 -10.283 4.351 1.00 45.22 C ATOM 1134 C VAL A 74 4.112 -9.593 4.101 1.00 1.21 C ATOM 1135 O VAL A 74 5.108 -10.256 3.802 1.00 54.40 O ATOM 1136 CB VAL A 74 2.744 -10.934 5.766 1.00 10.10 C ATOM 1137 CG1 VAL A 74 3.764 -12.069 5.865 1.00 23.42 C ATOM 1138 CG2 VAL A 74 2.981 -9.888 6.858 1.00 71.12 C ATOM 0 H VAL A 74 2.737 -12.229 3.595 1.00 33.41 H new ATOM 0 HA VAL A 74 1.978 -9.529 4.305 1.00 45.22 H new ATOM 0 HB VAL A 74 1.753 -11.361 5.921 1.00 10.10 H new ATOM 0 HG11 VAL A 74 3.728 -12.504 6.864 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.529 -12.835 5.126 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.763 -11.678 5.676 1.00 23.42 H new ATOM 0 HG21 VAL A 74 2.962 -10.371 7.835 1.00 71.12 H new ATOM 0 HG22 VAL A 74 3.951 -9.416 6.705 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.198 -9.131 6.813 1.00 71.12 H new ATOM 1148 N PRO A 75 4.155 -8.246 4.188 1.00 55.42 N ATOM 1149 CA PRO A 75 5.401 -7.481 4.050 1.00 60.35 C ATOM 1150 C PRO A 75 6.275 -7.598 5.304 1.00 72.13 C ATOM 1151 O PRO A 75 6.156 -8.562 6.065 1.00 1.32 O ATOM 1152 CB PRO A 75 4.918 -6.024 3.848 1.00 71.04 C ATOM 1153 CG PRO A 75 3.427 -6.097 3.713 1.00 45.31 C ATOM 1154 CD PRO A 75 3.002 -7.359 4.408 1.00 22.00 C ATOM 0 HA PRO A 75 6.021 -7.842 3.229 1.00 60.35 H new ATOM 0 HB2 PRO A 75 5.203 -5.398 4.694 1.00 71.04 H new ATOM 0 HB3 PRO A 75 5.369 -5.583 2.959 1.00 71.04 H new ATOM 0 HG2 PRO A 75 2.953 -5.226 4.165 1.00 45.31 H new ATOM 0 HG3 PRO A 75 3.132 -6.113 2.664 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.813 -7.194 5.469 1.00 22.00 H new ATOM 0 HD3 PRO A 75 2.087 -7.769 3.981 1.00 22.00 H new ATOM 1162 N ALA A 76 7.133 -6.600 5.527 1.00 51.25 N ATOM 1163 CA ALA A 76 8.033 -6.574 6.686 1.00 24.45 C ATOM 1164 C ALA A 76 7.275 -6.773 8.006 1.00 43.13 C ATOM 1165 O ALA A 76 7.870 -7.135 9.025 1.00 43.44 O ATOM 1166 CB ALA A 76 8.811 -5.261 6.720 1.00 60.32 C ATOM 0 H ALA A 76 7.225 -5.790 4.914 1.00 51.25 H new ATOM 0 HA ALA A 76 8.730 -7.405 6.578 1.00 24.45 H new ATOM 0 HB1 ALA A 76 9.475 -5.254 7.584 1.00 60.32 H new ATOM 0 HB2 ALA A 76 9.401 -5.164 5.808 1.00 60.32 H new ATOM 0 HB3 ALA A 76 8.113 -4.426 6.792 1.00 60.32 H new ATOM 1172 N SER A 77 5.959 -6.550 7.974 1.00 71.53 N ATOM 1173 CA SER A 77 5.106 -6.689 9.155 1.00 24.45 C ATOM 1174 C SER A 77 5.191 -8.102 9.747 1.00 52.41 C ATOM 1175 O SER A 77 4.777 -8.329 10.886 1.00 1.13 O ATOM 1176 CB SER A 77 3.651 -6.351 8.799 1.00 43.23 C ATOM 1177 OG SER A 77 2.824 -6.319 9.954 1.00 75.44 O ATOM 0 H SER A 77 5.457 -6.269 7.132 1.00 71.53 H new ATOM 0 HA SER A 77 5.464 -5.989 9.910 1.00 24.45 H new ATOM 0 HB2 SER A 77 3.614 -5.384 8.297 1.00 43.23 H new ATOM 0 HB3 SER A 77 3.267 -7.090 8.096 1.00 43.23 H new ATOM 0 HG SER A 77 3.277 -6.776 10.693 1.00 75.44 H new ATOM 1183 N VAL A 78 5.721 -9.048 8.975 1.00 50.43 N ATOM 1184 CA VAL A 78 5.913 -10.412 9.460 1.00 1.34 C ATOM 1185 C VAL A 78 6.917 -10.438 10.616 1.00 72.15 C ATOM 1186 O VAL A 78 6.724 -11.152 11.601 1.00 61.33 O ATOM 1187 CB VAL A 78 6.390 -11.362 8.323 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.714 -10.891 7.719 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.500 -12.801 8.827 1.00 22.14 C ATOM 0 H VAL A 78 6.024 -8.895 8.013 1.00 50.43 H new ATOM 0 HA VAL A 78 4.947 -10.769 9.818 1.00 1.34 H new ATOM 0 HB VAL A 78 5.640 -11.335 7.532 1.00 12.41 H new ATOM 0 HG11 VAL A 78 8.018 -11.577 6.928 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.589 -9.891 7.304 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.480 -10.869 8.494 1.00 13.13 H new ATOM 0 HG21 VAL A 78 6.835 -13.446 8.015 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.218 -12.846 9.646 1.00 22.14 H new ATOM 0 HG23 VAL A 78 5.526 -13.138 9.180 1.00 22.14 H new ATOM 1199 N ARG A 79 7.963 -9.619 10.505 1.00 61.45 N ATOM 1200 CA ARG A 79 9.019 -9.571 11.517 1.00 14.22 C ATOM 1201 C ARG A 79 8.500 -8.969 12.816 1.00 51.30 C ATOM 1202 O ARG A 79 9.093 -9.154 13.880 1.00 43.03 O ATOM 1203 CB ARG A 79 10.219 -8.759 11.017 1.00 63.44 C ATOM 1204 CG ARG A 79 10.931 -9.364 9.811 1.00 63.40 C ATOM 1205 CD ARG A 79 12.183 -8.571 9.457 1.00 74.44 C ATOM 1206 NE ARG A 79 12.873 -9.109 8.283 1.00 53.13 N ATOM 1207 CZ ARG A 79 14.180 -8.960 8.051 1.00 42.11 C ATOM 1208 NH1 ARG A 79 14.937 -8.283 8.909 1.00 73.33 N ATOM 1209 NH2 ARG A 79 14.728 -9.475 6.954 1.00 64.44 N ATOM 0 H ARG A 79 8.102 -8.979 9.723 1.00 61.45 H new ATOM 0 HA ARG A 79 9.340 -10.595 11.706 1.00 14.22 H new ATOM 0 HB2 ARG A 79 9.881 -7.756 10.758 1.00 63.44 H new ATOM 0 HB3 ARG A 79 10.936 -8.654 11.831 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.201 -10.398 10.025 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.254 -9.381 8.957 1.00 63.40 H new ATOM 0 HD2 ARG A 79 11.911 -7.532 9.270 1.00 74.44 H new ATOM 0 HD3 ARG A 79 12.864 -8.574 10.308 1.00 74.44 H new ATOM 0 HE ARG A 79 12.322 -9.629 7.600 1.00 53.13 H new ATOM 0 HH11 ARG A 79 14.520 -7.876 9.746 1.00 73.33 H new ATOM 0 HH12 ARG A 79 15.935 -8.170 8.730 1.00 73.33 H new ATOM 0 HH21 ARG A 79 14.150 -9.986 6.287 1.00 64.44 H new ATOM 0 HH22 ARG A 79 15.726 -9.359 6.780 1.00 64.44 H new ATOM 1223 N GLU A 80 7.400 -8.235 12.721 1.00 45.44 N ATOM 1224 CA GLU A 80 6.797 -7.607 13.887 1.00 22.12 C ATOM 1225 C GLU A 80 6.331 -8.668 14.879 1.00 4.33 C ATOM 1226 O GLU A 80 6.391 -8.464 16.087 1.00 13.03 O ATOM 1227 CB GLU A 80 5.626 -6.710 13.465 1.00 62.53 C ATOM 1228 CG GLU A 80 6.008 -5.629 12.456 1.00 73.11 C ATOM 1229 CD GLU A 80 6.949 -4.571 13.020 1.00 33.40 C ATOM 1230 OE1 GLU A 80 8.103 -4.908 13.372 1.00 51.44 O ATOM 1231 OE2 GLU A 80 6.546 -3.392 13.108 1.00 33.42 O ATOM 0 H GLU A 80 6.906 -8.060 11.846 1.00 45.44 H new ATOM 0 HA GLU A 80 7.547 -6.985 14.375 1.00 22.12 H new ATOM 0 HB2 GLU A 80 4.840 -7.332 13.036 1.00 62.53 H new ATOM 0 HB3 GLU A 80 5.207 -6.234 14.352 1.00 62.53 H new ATOM 0 HG2 GLU A 80 6.480 -6.100 11.593 1.00 73.11 H new ATOM 0 HG3 GLU A 80 5.101 -5.142 12.097 1.00 73.11 H new ATOM 1238 N HIS A 81 5.888 -9.809 14.356 1.00 54.53 N ATOM 1239 CA HIS A 81 5.427 -10.907 15.198 1.00 0.23 C ATOM 1240 C HIS A 81 6.491 -12.002 15.292 1.00 2.25 C ATOM 1241 O HIS A 81 6.619 -12.661 16.323 1.00 34.22 O ATOM 1242 CB HIS A 81 4.118 -11.487 14.649 1.00 32.20 C ATOM 1243 CG HIS A 81 3.476 -12.494 15.561 1.00 2.42 C ATOM 1244 ND1 HIS A 81 3.069 -13.745 15.144 1.00 13.53 N ATOM 1245 CD2 HIS A 81 3.167 -12.427 16.882 1.00 0.35 C ATOM 1246 CE1 HIS A 81 2.542 -14.400 16.165 1.00 43.44 C ATOM 1247 NE2 HIS A 81 2.588 -13.624 17.228 1.00 2.53 N ATOM 0 H HIS A 81 5.839 -9.996 13.354 1.00 54.53 H new ATOM 0 HA HIS A 81 5.246 -10.516 16.199 1.00 0.23 H new ATOM 0 HB2 HIS A 81 3.416 -10.672 14.470 1.00 32.20 H new ATOM 0 HB3 HIS A 81 4.314 -11.956 13.685 1.00 32.20 H new ATOM 0 HD2 HIS A 81 3.344 -11.588 17.539 1.00 0.35 H new ATOM 0 HE1 HIS A 81 2.141 -15.402 16.132 1.00 43.44 H new ATOM 0 HE2 HIS A 81 2.249 -13.871 18.158 1.00 2.53 H new ATOM 1256 N LEU A 82 7.241 -12.200 14.204 1.00 52.02 N ATOM 1257 CA LEU A 82 8.290 -13.224 14.153 1.00 15.11 C ATOM 1258 C LEU A 82 9.654 -12.593 13.879 1.00 65.10 C ATOM 1259 O LEU A 82 9.950 -12.213 12.745 1.00 73.43 O ATOM 1260 CB LEU A 82 8.000 -14.276 13.060 1.00 12.10 C ATOM 1261 CG LEU A 82 6.717 -15.116 13.232 1.00 72.24 C ATOM 1262 CD1 LEU A 82 6.589 -15.627 14.665 1.00 41.43 C ATOM 1263 CD2 LEU A 82 5.475 -14.328 12.809 1.00 53.35 C ATOM 0 H LEU A 82 7.141 -11.662 13.343 1.00 52.02 H new ATOM 0 HA LEU A 82 8.301 -13.715 15.126 1.00 15.11 H new ATOM 0 HB2 LEU A 82 7.945 -13.763 12.100 1.00 12.10 H new ATOM 0 HB3 LEU A 82 8.849 -14.958 13.009 1.00 12.10 H new ATOM 0 HG LEU A 82 6.793 -15.982 12.574 1.00 72.24 H new ATOM 0 HD11 LEU A 82 5.677 -16.216 14.761 1.00 41.43 H new ATOM 0 HD12 LEU A 82 7.450 -16.249 14.908 1.00 41.43 H new ATOM 0 HD13 LEU A 82 6.548 -14.781 15.351 1.00 41.43 H new ATOM 0 HD21 LEU A 82 4.588 -14.948 12.942 1.00 53.35 H new ATOM 0 HD22 LEU A 82 5.387 -13.431 13.422 1.00 53.35 H new ATOM 0 HD23 LEU A 82 5.564 -14.043 11.761 1.00 53.35 H new ATOM 1275 N ASN A 83 10.484 -12.479 14.912 1.00 23.21 N ATOM 1276 CA ASN A 83 11.852 -11.992 14.741 1.00 34.30 C ATOM 1277 C ASN A 83 12.805 -13.180 14.618 1.00 64.54 C ATOM 1278 O ASN A 83 12.550 -14.244 15.183 1.00 24.35 O ATOM 1279 CB ASN A 83 12.269 -11.083 15.907 1.00 5.33 C ATOM 1280 CG ASN A 83 13.652 -10.475 15.706 1.00 13.22 C ATOM 1281 OD1 ASN A 83 13.802 -9.441 15.054 1.00 20.11 O ATOM 1282 ND2 ASN A 83 14.672 -11.102 16.276 1.00 42.20 N ATOM 0 H ASN A 83 10.236 -12.716 15.873 1.00 23.21 H new ATOM 0 HA ASN A 83 11.898 -11.397 13.829 1.00 34.30 H new ATOM 0 HB2 ASN A 83 11.537 -10.283 16.020 1.00 5.33 H new ATOM 0 HB3 ASN A 83 12.259 -11.658 16.833 1.00 5.33 H new ATOM 0 HD21 ASN A 83 15.617 -10.730 16.181 1.00 42.20 H new ATOM 0 HD22 ASN A 83 14.512 -11.957 16.809 1.00 42.20 H new ATOM 1289 N GLN A 84 13.898 -12.994 13.878 1.00 54.12 N ATOM 1290 CA GLN A 84 14.823 -14.089 13.581 1.00 32.44 C ATOM 1291 C GLN A 84 15.415 -14.674 14.867 1.00 35.52 C ATOM 1292 O GLN A 84 15.470 -15.892 15.038 1.00 62.41 O ATOM 1293 CB GLN A 84 15.941 -13.605 12.644 1.00 74.55 C ATOM 1294 CG GLN A 84 16.782 -14.732 12.055 1.00 74.02 C ATOM 1295 CD GLN A 84 15.950 -15.709 11.240 1.00 54.40 C ATOM 1296 OE1 GLN A 84 15.434 -16.697 11.762 1.00 71.43 O ATOM 1297 NE2 GLN A 84 15.802 -15.433 9.955 1.00 3.04 N ATOM 0 H GLN A 84 14.165 -12.097 13.473 1.00 54.12 H new ATOM 0 HA GLN A 84 14.264 -14.879 13.079 1.00 32.44 H new ATOM 0 HB2 GLN A 84 15.497 -13.032 11.830 1.00 74.55 H new ATOM 0 HB3 GLN A 84 16.594 -12.926 13.193 1.00 74.55 H new ATOM 0 HG2 GLN A 84 17.562 -14.308 11.423 1.00 74.02 H new ATOM 0 HG3 GLN A 84 17.282 -15.269 12.861 1.00 74.02 H new ATOM 0 HE21 GLN A 84 16.245 -14.605 9.557 1.00 3.04 H new ATOM 0 HE22 GLN A 84 15.245 -16.048 9.362 1.00 3.04 H new ATOM 1306 N HIS A 85 15.853 -13.796 15.764 1.00 50.13 N ATOM 1307 CA HIS A 85 16.373 -14.214 17.068 1.00 23.14 C ATOM 1308 C HIS A 85 15.244 -14.187 18.099 1.00 22.41 C ATOM 1309 O HIS A 85 14.329 -13.367 17.997 1.00 2.45 O ATOM 1310 CB HIS A 85 17.525 -13.295 17.506 1.00 52.30 C ATOM 1311 CG HIS A 85 18.229 -13.747 18.755 1.00 34.32 C ATOM 1312 ND1 HIS A 85 17.827 -13.385 20.024 1.00 73.50 N ATOM 1313 CD2 HIS A 85 19.325 -14.530 18.920 1.00 52.32 C ATOM 1314 CE1 HIS A 85 18.644 -13.922 20.913 1.00 52.11 C ATOM 1315 NE2 HIS A 85 19.560 -14.619 20.269 1.00 52.35 N ATOM 0 H HIS A 85 15.859 -12.787 15.614 1.00 50.13 H new ATOM 0 HA HIS A 85 16.761 -15.230 16.990 1.00 23.14 H new ATOM 0 HB2 HIS A 85 18.251 -13.229 16.696 1.00 52.30 H new ATOM 0 HB3 HIS A 85 17.134 -12.290 17.666 1.00 52.30 H new ATOM 0 HD1 HIS A 85 17.024 -12.795 20.242 1.00 73.50 H new ATOM 0 HD2 HIS A 85 19.904 -14.996 18.136 1.00 52.32 H new ATOM 0 HE1 HIS A 85 18.574 -13.809 21.985 1.00 52.11 H new ATOM 1324 N SER A 86 15.310 -15.084 19.082 1.00 2.41 N ATOM 1325 CA SER A 86 14.269 -15.201 20.103 1.00 53.33 C ATOM 1326 C SER A 86 14.067 -13.873 20.840 1.00 3.22 C ATOM 1327 O SER A 86 15.010 -13.313 21.411 1.00 51.12 O ATOM 1328 CB SER A 86 14.623 -16.318 21.102 1.00 53.13 C ATOM 1329 OG SER A 86 13.553 -16.571 21.999 1.00 2.23 O ATOM 0 H SER A 86 16.079 -15.745 19.193 1.00 2.41 H new ATOM 0 HA SER A 86 13.334 -15.457 19.604 1.00 53.33 H new ATOM 0 HB2 SER A 86 14.867 -17.231 20.558 1.00 53.13 H new ATOM 0 HB3 SER A 86 15.512 -16.036 21.665 1.00 53.13 H new ATOM 0 HG SER A 86 13.808 -17.286 22.619 1.00 2.23 H new ATOM 1335 N GLY A 87 12.834 -13.376 20.807 1.00 74.42 N ATOM 1336 CA GLY A 87 12.493 -12.134 21.476 1.00 31.33 C ATOM 1337 C GLY A 87 11.005 -12.042 21.760 1.00 32.32 C ATOM 1338 O GLY A 87 10.202 -12.631 21.036 1.00 53.13 O ATOM 0 H GLY A 87 12.055 -13.820 20.321 1.00 74.42 H new ATOM 0 HA2 GLY A 87 13.048 -12.060 22.411 1.00 31.33 H new ATOM 0 HA3 GLY A 87 12.798 -11.291 20.857 1.00 31.33 H new ATOM 1342 N PRO A 88 10.605 -11.303 22.812 1.00 70.20 N ATOM 1343 CA PRO A 88 9.195 -11.167 23.198 1.00 73.53 C ATOM 1344 C PRO A 88 8.461 -10.097 22.387 1.00 3.41 C ATOM 1345 O PRO A 88 7.354 -9.684 22.741 1.00 45.03 O ATOM 1346 CB PRO A 88 9.296 -10.757 24.670 1.00 5.34 C ATOM 1347 CG PRO A 88 10.557 -9.958 24.746 1.00 11.52 C ATOM 1348 CD PRO A 88 11.498 -10.549 23.720 1.00 42.10 C ATOM 0 HA PRO A 88 8.625 -12.079 23.022 1.00 73.53 H new ATOM 0 HB2 PRO A 88 8.433 -10.168 24.979 1.00 5.34 H new ATOM 0 HB3 PRO A 88 9.337 -11.628 25.324 1.00 5.34 H new ATOM 0 HG2 PRO A 88 10.364 -8.906 24.536 1.00 11.52 H new ATOM 0 HG3 PRO A 88 10.990 -10.009 25.745 1.00 11.52 H new ATOM 0 HD2 PRO A 88 12.047 -9.773 23.187 1.00 42.10 H new ATOM 0 HD3 PRO A 88 12.238 -11.201 24.185 1.00 42.10 H new ATOM 1356 N GLY A 89 9.081 -9.658 21.295 1.00 45.11 N ATOM 1357 CA GLY A 89 8.496 -8.630 20.454 1.00 73.43 C ATOM 1358 C GLY A 89 7.363 -9.165 19.599 1.00 22.31 C ATOM 1359 O GLY A 89 7.514 -9.332 18.387 1.00 11.13 O ATOM 0 H GLY A 89 9.987 -10.001 20.976 1.00 45.11 H new ATOM 0 HA2 GLY A 89 8.125 -7.819 21.080 1.00 73.43 H new ATOM 0 HA3 GLY A 89 9.267 -8.208 19.810 1.00 73.43 H new ATOM 1363 N ILE A 90 6.230 -9.451 20.232 1.00 5.14 N ATOM 1364 CA ILE A 90 5.056 -9.948 19.522 1.00 21.42 C ATOM 1365 C ILE A 90 4.127 -8.793 19.146 1.00 23.35 C ATOM 1366 O ILE A 90 3.277 -8.370 19.930 1.00 33.33 O ATOM 1367 CB ILE A 90 4.293 -11.024 20.345 1.00 44.04 C ATOM 1368 CG1 ILE A 90 4.056 -10.545 21.792 1.00 14.02 C ATOM 1369 CG2 ILE A 90 5.061 -12.348 20.325 1.00 43.22 C ATOM 1370 CD1 ILE A 90 3.305 -11.537 22.658 1.00 22.10 C ATOM 0 H ILE A 90 6.099 -9.347 21.238 1.00 5.14 H new ATOM 0 HA ILE A 90 5.405 -10.428 18.607 1.00 21.42 H new ATOM 0 HB ILE A 90 3.318 -11.184 19.885 1.00 44.04 H new ATOM 0 HG12 ILE A 90 5.019 -10.332 22.255 1.00 14.02 H new ATOM 0 HG13 ILE A 90 3.500 -9.608 21.766 1.00 14.02 H new ATOM 0 HG21 ILE A 90 4.516 -13.093 20.905 1.00 43.22 H new ATOM 0 HG22 ILE A 90 5.164 -12.693 19.296 1.00 43.22 H new ATOM 0 HG23 ILE A 90 6.050 -12.202 20.760 1.00 43.22 H new ATOM 0 HD11 ILE A 90 3.180 -11.124 23.659 1.00 22.10 H new ATOM 0 HD12 ILE A 90 2.326 -11.733 22.221 1.00 22.10 H new ATOM 0 HD13 ILE A 90 3.869 -12.468 22.717 1.00 22.10 H new ATOM 1382 N ASP A 91 4.323 -8.273 17.939 1.00 1.23 N ATOM 1383 CA ASP A 91 3.545 -7.140 17.433 1.00 74.51 C ATOM 1384 C ASP A 91 2.640 -7.589 16.276 1.00 2.04 C ATOM 1385 O ASP A 91 2.756 -8.722 15.795 1.00 62.54 O ATOM 1386 CB ASP A 91 4.495 -6.011 16.993 1.00 44.12 C ATOM 1387 CG ASP A 91 3.771 -4.756 16.523 1.00 15.41 C ATOM 1388 OD1 ASP A 91 3.083 -4.118 17.342 1.00 43.31 O ATOM 1389 OD2 ASP A 91 3.891 -4.403 15.333 1.00 24.45 O ATOM 0 H ASP A 91 5.022 -8.621 17.283 1.00 1.23 H new ATOM 0 HA ASP A 91 2.904 -6.759 18.228 1.00 74.51 H new ATOM 0 HB2 ASP A 91 5.150 -5.753 17.825 1.00 44.12 H new ATOM 0 HB3 ASP A 91 5.132 -6.376 16.188 1.00 44.12 H new ATOM 1394 N TYR A 92 1.747 -6.698 15.846 1.00 33.23 N ATOM 1395 CA TYR A 92 0.727 -7.014 14.842 1.00 55.10 C ATOM 1396 C TYR A 92 1.333 -7.518 13.525 1.00 54.42 C ATOM 1397 O TYR A 92 2.285 -6.937 12.993 1.00 72.11 O ATOM 1398 CB TYR A 92 -0.141 -5.778 14.570 1.00 14.33 C ATOM 1399 CG TYR A 92 -0.818 -5.226 15.810 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -2.070 -5.685 16.203 1.00 74.10 C ATOM 1401 CD2 TYR A 92 -0.204 -4.248 16.587 1.00 64.52 C ATOM 1402 CE1 TYR A 92 -2.690 -5.184 17.333 1.00 61.43 C ATOM 1403 CE2 TYR A 92 -0.816 -3.745 17.716 1.00 43.34 C ATOM 1404 CZ TYR A 92 -2.058 -4.216 18.086 1.00 34.30 C ATOM 1405 OH TYR A 92 -2.673 -3.713 19.212 1.00 4.12 O ATOM 0 H TYR A 92 1.709 -5.736 16.183 1.00 33.23 H new ATOM 0 HA TYR A 92 0.116 -7.820 15.249 1.00 55.10 H new ATOM 0 HB2 TYR A 92 0.480 -4.999 14.128 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -0.903 -6.034 13.834 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -2.566 -6.444 15.617 1.00 74.10 H new ATOM 0 HD2 TYR A 92 0.769 -3.876 16.301 1.00 64.52 H new ATOM 0 HE1 TYR A 92 -3.664 -5.549 17.625 1.00 61.43 H new ATOM 0 HE2 TYR A 92 -0.325 -2.986 18.307 1.00 43.34 H new ATOM 0 HH TYR A 92 -2.094 -3.041 19.628 1.00 4.12 H new ATOM 1415 N ALA A 93 0.747 -8.590 13.002 1.00 11.13 N ATOM 1416 CA ALA A 93 1.151 -9.178 11.728 1.00 53.10 C ATOM 1417 C ALA A 93 -0.096 -9.552 10.926 1.00 2.23 C ATOM 1418 O ALA A 93 -1.157 -8.955 11.121 1.00 73.52 O ATOM 1419 CB ALA A 93 2.035 -10.397 11.971 1.00 75.12 C ATOM 0 H ALA A 93 -0.027 -9.079 13.452 1.00 11.13 H new ATOM 0 HA ALA A 93 1.730 -8.454 11.155 1.00 53.10 H new ATOM 0 HB1 ALA A 93 2.331 -10.828 11.015 1.00 75.12 H new ATOM 0 HB2 ALA A 93 2.925 -10.097 12.525 1.00 75.12 H new ATOM 0 HB3 ALA A 93 1.482 -11.138 12.548 1.00 75.12 H new ATOM 1425 N VAL A 94 0.032 -10.507 10.006 1.00 65.13 N ATOM 1426 CA VAL A 94 -1.121 -11.001 9.259 1.00 73.34 C ATOM 1427 C VAL A 94 -2.024 -11.828 10.190 1.00 64.21 C ATOM 1428 O VAL A 94 -1.578 -12.820 10.769 1.00 24.50 O ATOM 1429 CB VAL A 94 -0.689 -11.823 8.008 1.00 52.51 C ATOM 1430 CG1 VAL A 94 0.239 -12.979 8.376 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.909 -12.332 7.245 1.00 41.25 C ATOM 0 H VAL A 94 0.917 -10.951 9.762 1.00 65.13 H new ATOM 0 HA VAL A 94 -1.686 -10.145 8.889 1.00 73.34 H new ATOM 0 HB VAL A 94 -0.129 -11.151 7.358 1.00 52.51 H new ATOM 0 HG11 VAL A 94 0.515 -13.525 7.474 1.00 75.41 H new ATOM 0 HG12 VAL A 94 1.138 -12.587 8.852 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -0.273 -13.651 9.065 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.582 -12.903 6.376 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -2.505 -12.972 7.896 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.512 -11.485 6.917 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.286 -11.387 10.309 1.00 64.15 N ATOM 1442 CA ARG A 95 -4.258 -11.866 11.317 1.00 53.51 C ATOM 1443 C ARG A 95 -3.868 -11.384 12.722 1.00 63.34 C ATOM 1444 O ARG A 95 -2.693 -11.540 13.117 1.00 22.32 O ATOM 1445 CB ARG A 95 -4.498 -13.406 11.266 1.00 22.34 C ATOM 1446 CG ARG A 95 -3.609 -14.273 12.175 1.00 23.40 C ATOM 1447 CD ARG A 95 -4.313 -14.706 13.465 1.00 44.34 C ATOM 1448 NE ARG A 95 -4.636 -13.579 14.347 1.00 74.54 N ATOM 1449 CZ ARG A 95 -4.227 -13.475 15.613 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -3.483 -14.431 16.153 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -4.561 -12.413 16.333 1.00 42.22 N ATOM 1452 OXT ARG A 95 -4.754 -10.859 13.431 1.00 0.00 O ATOM 0 H ARG A 95 -3.673 -10.670 9.695 1.00 64.15 H new ATOM 0 HA ARG A 95 -5.220 -11.421 11.061 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.539 -13.597 11.525 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -4.360 -13.738 10.237 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -3.292 -15.159 11.625 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -2.707 -13.716 12.429 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -5.231 -15.236 13.211 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -3.676 -15.409 14.002 1.00 44.34 H new ATOM 0 HE ARG A 95 -5.210 -12.826 13.968 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -3.222 -15.248 15.600 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -3.171 -14.349 17.121 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -5.131 -11.675 15.919 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -4.248 -12.334 17.301 1.00 42.22 H new TER 1466 ARG A 95