USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 833 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 51 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 0 X(o=0,f=0.21) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -151:sc= 0.0432 (180deg=0) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.122 K(o=-0.079,f=-1.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 4 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.28) USER MOD Single : A 6 SER OG : rot -58:sc= 0.898 USER MOD Single : A 7 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.8) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.013 (180deg=-0.176) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -0.12 K(o=-0.12,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0533) USER MOD Single : A 28 LYS NZ :NH3+ -121:sc= -0.173 (180deg=-0.79) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -52:sc= -0.0131 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 40:sc= 0.0703 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 42:sc= 0.479 USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.0064 (180deg=-0.934) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 59 CYS SG : rot -41:sc= 0.569 USER MOD Single : A 61 SER OG : rot -140:sc= -0.0328 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.035 K(o=-0.035,f=-2.1!) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00475) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.07) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.5) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00735 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.040 0.312 -3.236 1.00 30.21 N ATOM 2 CA MET A 1 -1.354 0.378 -4.521 1.00 71.35 C ATOM 3 C MET A 1 -2.298 0.004 -5.661 1.00 4.03 C ATOM 4 O MET A 1 -2.159 -1.058 -6.268 1.00 52.12 O ATOM 5 CB MET A 1 -0.139 -0.551 -4.524 1.00 13.13 C ATOM 6 CG MET A 1 0.714 -0.433 -5.777 1.00 74.01 C ATOM 7 SD MET A 1 2.208 -1.440 -5.697 1.00 51.12 S ATOM 8 CE MET A 1 3.302 -0.504 -6.762 1.00 4.35 C ATOM 0 H1 MET A 1 -1.379 0.570 -2.476 1.00 30.21 H new ATOM 0 H2 MET A 1 -2.842 0.974 -3.236 1.00 30.21 H new ATOM 0 H3 MET A 1 -2.389 -0.655 -3.078 1.00 30.21 H new ATOM 0 HA MET A 1 -1.018 1.404 -4.672 1.00 71.35 H new ATOM 0 HB2 MET A 1 0.478 -0.332 -3.653 1.00 13.13 H new ATOM 0 HB3 MET A 1 -0.480 -1.581 -4.422 1.00 13.13 H new ATOM 0 HG2 MET A 1 0.124 -0.733 -6.643 1.00 74.01 H new ATOM 0 HG3 MET A 1 0.991 0.611 -5.926 1.00 74.01 H new ATOM 0 HE1 MET A 1 4.271 -1.001 -6.815 1.00 4.35 H new ATOM 0 HE2 MET A 1 2.871 -0.441 -7.761 1.00 4.35 H new ATOM 0 HE3 MET A 1 3.431 0.500 -6.359 1.00 4.35 H new ATOM 18 N GLN A 2 -3.254 0.882 -5.944 1.00 31.21 N ATOM 19 CA GLN A 2 -4.220 0.642 -7.009 1.00 22.54 C ATOM 20 C GLN A 2 -4.758 1.957 -7.563 1.00 22.20 C ATOM 21 O GLN A 2 -4.749 2.978 -6.878 1.00 41.42 O ATOM 22 CB GLN A 2 -5.375 -0.219 -6.495 1.00 73.10 C ATOM 23 CG GLN A 2 -6.083 0.372 -5.286 1.00 71.54 C ATOM 24 CD GLN A 2 -7.368 -0.359 -4.949 1.00 54.43 C ATOM 25 OE1 GLN A 2 -8.254 -0.504 -5.792 1.00 43.20 O ATOM 26 NE2 GLN A 2 -7.477 -0.824 -3.710 1.00 11.44 N ATOM 0 H GLN A 2 -3.380 1.766 -5.451 1.00 31.21 H new ATOM 0 HA GLN A 2 -3.711 0.111 -7.813 1.00 22.54 H new ATOM 0 HB2 GLN A 2 -6.099 -0.358 -7.298 1.00 73.10 H new ATOM 0 HB3 GLN A 2 -4.994 -1.207 -6.236 1.00 73.10 H new ATOM 0 HG2 GLN A 2 -5.414 0.339 -4.426 1.00 71.54 H new ATOM 0 HG3 GLN A 2 -6.306 1.422 -5.477 1.00 71.54 H new ATOM 0 HE21 GLN A 2 -6.718 -0.682 -3.043 1.00 11.44 H new ATOM 0 HE22 GLN A 2 -8.319 -1.324 -3.425 1.00 11.44 H new ATOM 35 N GLU A 3 -5.225 1.922 -8.808 1.00 10.34 N ATOM 36 CA GLU A 3 -5.766 3.113 -9.453 1.00 43.41 C ATOM 37 C GLU A 3 -7.106 2.811 -10.117 1.00 1.34 C ATOM 38 O GLU A 3 -7.170 2.071 -11.098 1.00 34.43 O ATOM 39 CB GLU A 3 -4.779 3.650 -10.491 1.00 24.20 C ATOM 40 CG GLU A 3 -4.916 5.141 -10.748 1.00 74.43 C ATOM 41 CD GLU A 3 -6.098 5.473 -11.639 1.00 5.12 C ATOM 42 OE1 GLU A 3 -6.171 4.923 -12.758 1.00 2.03 O ATOM 43 OE2 GLU A 3 -6.949 6.284 -11.218 1.00 32.11 O ATOM 0 H GLU A 3 -5.239 1.084 -9.389 1.00 10.34 H new ATOM 0 HA GLU A 3 -5.924 3.871 -8.686 1.00 43.41 H new ATOM 0 HB2 GLU A 3 -3.763 3.440 -10.157 1.00 24.20 H new ATOM 0 HB3 GLU A 3 -4.924 3.114 -11.429 1.00 24.20 H new ATOM 0 HG2 GLU A 3 -5.025 5.661 -9.797 1.00 74.43 H new ATOM 0 HG3 GLU A 3 -4.001 5.512 -11.211 1.00 74.43 H new ATOM 50 N GLN A 4 -8.172 3.389 -9.574 1.00 60.23 N ATOM 51 CA GLN A 4 -9.511 3.180 -10.113 1.00 65.40 C ATOM 52 C GLN A 4 -9.589 3.636 -11.566 1.00 75.21 C ATOM 53 O GLN A 4 -9.472 4.825 -11.862 1.00 20.22 O ATOM 54 CB GLN A 4 -10.545 3.932 -9.273 1.00 41.43 C ATOM 55 CG GLN A 4 -10.918 3.218 -7.985 1.00 55.44 C ATOM 56 CD GLN A 4 -12.304 3.589 -7.493 1.00 53.14 C ATOM 57 OE1 GLN A 4 -13.276 3.543 -8.248 1.00 40.00 O ATOM 58 NE2 GLN A 4 -12.401 3.960 -6.222 1.00 35.22 N ATOM 0 H GLN A 4 -8.135 4.005 -8.762 1.00 60.23 H new ATOM 0 HA GLN A 4 -9.729 2.113 -10.074 1.00 65.40 H new ATOM 0 HB2 GLN A 4 -10.154 4.920 -9.031 1.00 41.43 H new ATOM 0 HB3 GLN A 4 -11.445 4.082 -9.869 1.00 41.43 H new ATOM 0 HG2 GLN A 4 -10.869 2.141 -8.144 1.00 55.44 H new ATOM 0 HG3 GLN A 4 -10.186 3.460 -7.215 1.00 55.44 H new ATOM 0 HE21 GLN A 4 -11.569 3.983 -5.633 1.00 35.22 H new ATOM 0 HE22 GLN A 4 -13.308 4.222 -5.835 1.00 35.22 H new ATOM 67 N VAL A 5 -9.789 2.681 -12.471 1.00 11.41 N ATOM 68 CA VAL A 5 -9.884 2.985 -13.893 1.00 40.23 C ATOM 69 C VAL A 5 -11.284 2.696 -14.424 1.00 44.52 C ATOM 70 O VAL A 5 -11.460 2.381 -15.601 1.00 35.51 O ATOM 71 CB VAL A 5 -8.861 2.174 -14.710 1.00 2.11 C ATOM 72 CG1 VAL A 5 -7.455 2.710 -14.487 1.00 71.13 C ATOM 73 CG2 VAL A 5 -8.940 0.699 -14.348 1.00 70.41 C ATOM 0 H VAL A 5 -9.888 1.692 -12.243 1.00 11.41 H new ATOM 0 HA VAL A 5 -9.667 4.047 -14.005 1.00 40.23 H new ATOM 0 HB VAL A 5 -9.102 2.279 -15.768 1.00 2.11 H new ATOM 0 HG11 VAL A 5 -6.745 2.125 -15.072 1.00 71.13 H new ATOM 0 HG12 VAL A 5 -7.410 3.753 -14.799 1.00 71.13 H new ATOM 0 HG13 VAL A 5 -7.201 2.636 -13.430 1.00 71.13 H new ATOM 0 HG21 VAL A 5 -8.210 0.141 -14.935 1.00 70.41 H new ATOM 0 HG22 VAL A 5 -8.725 0.573 -13.287 1.00 70.41 H new ATOM 0 HG23 VAL A 5 -9.941 0.325 -14.563 1.00 70.41 H new ATOM 83 N SER A 6 -12.278 2.810 -13.548 1.00 63.22 N ATOM 84 CA SER A 6 -13.663 2.558 -13.928 1.00 71.41 C ATOM 85 C SER A 6 -13.824 1.149 -14.492 1.00 14.41 C ATOM 86 O SER A 6 -14.500 0.947 -15.500 1.00 65.32 O ATOM 87 CB SER A 6 -14.127 3.588 -14.960 1.00 3.43 C ATOM 88 OG SER A 6 -15.477 3.368 -15.329 1.00 61.11 O ATOM 0 H SER A 6 -12.150 3.075 -12.571 1.00 63.22 H new ATOM 0 HA SER A 6 -14.280 2.646 -13.034 1.00 71.41 H new ATOM 0 HB2 SER A 6 -14.018 4.592 -14.551 1.00 3.43 H new ATOM 0 HB3 SER A 6 -13.492 3.533 -15.844 1.00 3.43 H new ATOM 0 HG SER A 6 -15.574 2.463 -15.692 1.00 61.11 H new ATOM 94 N ASN A 7 -13.200 0.179 -13.832 1.00 42.30 N ATOM 95 CA ASN A 7 -13.273 -1.210 -14.267 1.00 33.43 C ATOM 96 C ASN A 7 -13.984 -2.069 -13.227 1.00 15.11 C ATOM 97 O ASN A 7 -13.886 -1.818 -12.025 1.00 32.20 O ATOM 98 CB ASN A 7 -11.868 -1.760 -14.524 1.00 71.42 C ATOM 99 CG ASN A 7 -11.892 -3.186 -15.041 1.00 74.51 C ATOM 100 OD1 ASN A 7 -12.861 -3.616 -15.667 1.00 52.34 O ATOM 101 ND2 ASN A 7 -10.822 -3.928 -14.779 1.00 42.54 N ATOM 0 H ASN A 7 -12.638 0.330 -12.994 1.00 42.30 H new ATOM 0 HA ASN A 7 -13.845 -1.245 -15.194 1.00 33.43 H new ATOM 0 HB2 ASN A 7 -11.358 -1.123 -15.246 1.00 71.42 H new ATOM 0 HB3 ASN A 7 -11.291 -1.721 -13.600 1.00 71.42 H new ATOM 0 HD21 ASN A 7 -10.781 -4.895 -15.100 1.00 42.54 H new ATOM 0 HD22 ASN A 7 -10.041 -3.531 -14.257 1.00 42.54 H new ATOM 108 N VAL A 8 -14.703 -3.085 -13.696 1.00 51.13 N ATOM 109 CA VAL A 8 -15.431 -3.982 -12.806 1.00 62.13 C ATOM 110 C VAL A 8 -14.825 -5.381 -12.821 1.00 1.24 C ATOM 111 O VAL A 8 -13.838 -5.633 -13.513 1.00 63.32 O ATOM 112 CB VAL A 8 -16.917 -4.075 -13.197 1.00 14.22 C ATOM 113 CG1 VAL A 8 -17.641 -2.780 -12.857 1.00 61.31 C ATOM 114 CG2 VAL A 8 -17.060 -4.402 -14.675 1.00 74.41 C ATOM 0 H VAL A 8 -14.797 -3.307 -14.687 1.00 51.13 H new ATOM 0 HA VAL A 8 -15.352 -3.565 -11.802 1.00 62.13 H new ATOM 0 HB VAL A 8 -17.375 -4.881 -12.624 1.00 14.22 H new ATOM 0 HG11 VAL A 8 -18.690 -2.864 -13.141 1.00 61.31 H new ATOM 0 HG12 VAL A 8 -17.569 -2.593 -11.786 1.00 61.31 H new ATOM 0 HG13 VAL A 8 -17.184 -1.954 -13.401 1.00 61.31 H new ATOM 0 HG21 VAL A 8 -18.117 -4.464 -14.933 1.00 74.41 H new ATOM 0 HG22 VAL A 8 -16.587 -3.620 -15.268 1.00 74.41 H new ATOM 0 HG23 VAL A 8 -16.579 -5.357 -14.884 1.00 74.41 H new ATOM 124 N ARG A 9 -15.421 -6.286 -12.053 1.00 60.22 N ATOM 125 CA ARG A 9 -14.939 -7.660 -11.977 1.00 71.21 C ATOM 126 C ARG A 9 -16.105 -8.640 -11.868 1.00 51.22 C ATOM 127 O ARG A 9 -17.098 -8.366 -11.194 1.00 24.44 O ATOM 128 CB ARG A 9 -14.004 -7.829 -10.779 1.00 5.13 C ATOM 129 CG ARG A 9 -12.767 -6.948 -10.843 1.00 64.22 C ATOM 130 CD ARG A 9 -12.939 -5.684 -10.014 1.00 61.32 C ATOM 131 NE ARG A 9 -11.658 -5.143 -9.570 1.00 15.41 N ATOM 132 CZ ARG A 9 -11.536 -4.009 -8.888 1.00 33.13 C ATOM 133 NH1 ARG A 9 -12.613 -3.301 -8.574 1.00 72.34 N ATOM 134 NH2 ARG A 9 -10.336 -3.581 -8.517 1.00 34.50 N ATOM 0 H ARG A 9 -16.239 -6.093 -11.474 1.00 60.22 H new ATOM 0 HA ARG A 9 -14.389 -7.877 -12.892 1.00 71.21 H new ATOM 0 HB2 ARG A 9 -14.554 -7.603 -9.865 1.00 5.13 H new ATOM 0 HB3 ARG A 9 -13.694 -8.872 -10.715 1.00 5.13 H new ATOM 0 HG2 ARG A 9 -11.903 -7.506 -10.483 1.00 64.22 H new ATOM 0 HG3 ARG A 9 -12.563 -6.680 -11.880 1.00 64.22 H new ATOM 0 HD2 ARG A 9 -13.465 -4.933 -10.603 1.00 61.32 H new ATOM 0 HD3 ARG A 9 -13.561 -5.902 -9.146 1.00 61.32 H new ATOM 0 HE ARG A 9 -10.810 -5.664 -9.795 1.00 15.41 H new ATOM 0 HH11 ARG A 9 -13.538 -3.627 -8.856 1.00 72.34 H new ATOM 0 HH12 ARG A 9 -12.517 -2.431 -8.050 1.00 72.34 H new ATOM 0 HH21 ARG A 9 -9.505 -4.123 -8.755 1.00 34.50 H new ATOM 0 HH22 ARG A 9 -10.244 -2.710 -7.994 1.00 34.50 H new ATOM 148 N ALA A 10 -15.976 -9.781 -12.537 1.00 11.44 N ATOM 149 CA ALA A 10 -17.017 -10.801 -12.513 1.00 54.44 C ATOM 150 C ALA A 10 -16.578 -12.016 -11.702 1.00 51.54 C ATOM 151 O ALA A 10 -15.534 -12.610 -11.972 1.00 1.20 O ATOM 152 CB ALA A 10 -17.381 -11.215 -13.931 1.00 33.10 C ATOM 0 H ALA A 10 -15.162 -10.022 -13.102 1.00 11.44 H new ATOM 0 HA ALA A 10 -17.897 -10.375 -12.032 1.00 54.44 H new ATOM 0 HB1 ALA A 10 -18.159 -11.977 -13.899 1.00 33.10 H new ATOM 0 HB2 ALA A 10 -17.745 -10.347 -14.481 1.00 33.10 H new ATOM 0 HB3 ALA A 10 -16.500 -11.617 -14.430 1.00 33.10 H new ATOM 158 N ARG A 11 -17.381 -12.377 -10.707 1.00 31.13 N ATOM 159 CA ARG A 11 -17.073 -13.520 -9.855 1.00 50.32 C ATOM 160 C ARG A 11 -17.863 -14.751 -10.290 1.00 20.11 C ATOM 161 O ARG A 11 -19.055 -14.868 -10.006 1.00 44.44 O ATOM 162 CB ARG A 11 -17.384 -13.192 -8.394 1.00 32.43 C ATOM 163 CG ARG A 11 -16.451 -12.156 -7.790 1.00 15.42 C ATOM 164 CD ARG A 11 -15.244 -12.807 -7.134 1.00 25.11 C ATOM 165 NE ARG A 11 -14.531 -11.882 -6.258 1.00 22.01 N ATOM 166 CZ ARG A 11 -13.398 -12.187 -5.632 1.00 74.13 C ATOM 167 NH1 ARG A 11 -12.854 -13.386 -5.786 1.00 60.13 N ATOM 168 NH2 ARG A 11 -12.809 -11.291 -4.851 1.00 34.42 N ATOM 0 H ARG A 11 -18.249 -11.896 -10.471 1.00 31.13 H new ATOM 0 HA ARG A 11 -16.010 -13.738 -9.953 1.00 50.32 H new ATOM 0 HB2 ARG A 11 -18.410 -12.830 -8.322 1.00 32.43 H new ATOM 0 HB3 ARG A 11 -17.327 -14.107 -7.805 1.00 32.43 H new ATOM 0 HG2 ARG A 11 -16.117 -11.469 -8.567 1.00 15.42 H new ATOM 0 HG3 ARG A 11 -16.992 -11.564 -7.052 1.00 15.42 H new ATOM 0 HD2 ARG A 11 -15.568 -13.674 -6.558 1.00 25.11 H new ATOM 0 HD3 ARG A 11 -14.565 -13.172 -7.905 1.00 25.11 H new ATOM 0 HE ARG A 11 -14.923 -10.951 -6.118 1.00 22.01 H new ATOM 0 HH11 ARG A 11 -13.304 -14.077 -6.386 1.00 60.13 H new ATOM 0 HH12 ARG A 11 -11.985 -13.617 -5.305 1.00 60.13 H new ATOM 0 HH21 ARG A 11 -13.225 -10.368 -4.730 1.00 34.42 H new ATOM 0 HH22 ARG A 11 -11.940 -11.525 -4.371 1.00 34.42 H new ATOM 182 N ILE A 12 -17.190 -15.666 -10.980 1.00 43.03 N ATOM 183 CA ILE A 12 -17.829 -16.887 -11.454 1.00 64.34 C ATOM 184 C ILE A 12 -17.593 -18.042 -10.486 1.00 54.33 C ATOM 185 O ILE A 12 -16.497 -18.203 -9.950 1.00 45.13 O ATOM 186 CB ILE A 12 -17.311 -17.288 -12.848 1.00 75.41 C ATOM 187 CG1 ILE A 12 -17.565 -16.164 -13.854 1.00 52.44 C ATOM 188 CG2 ILE A 12 -17.975 -18.578 -13.308 1.00 44.11 C ATOM 189 CD1 ILE A 12 -16.723 -16.271 -15.105 1.00 44.45 C ATOM 0 H ILE A 12 -16.203 -15.585 -11.223 1.00 43.03 H new ATOM 0 HA ILE A 12 -18.897 -16.680 -11.517 1.00 64.34 H new ATOM 0 HB ILE A 12 -16.236 -17.457 -12.785 1.00 75.41 H new ATOM 0 HG12 ILE A 12 -18.619 -16.169 -14.133 1.00 52.44 H new ATOM 0 HG13 ILE A 12 -17.367 -15.206 -13.374 1.00 52.44 H new ATOM 0 HG21 ILE A 12 -17.599 -18.849 -14.295 1.00 44.11 H new ATOM 0 HG22 ILE A 12 -17.748 -19.376 -12.601 1.00 44.11 H new ATOM 0 HG23 ILE A 12 -19.054 -18.434 -13.358 1.00 44.11 H new ATOM 0 HD11 ILE A 12 -16.956 -15.441 -15.772 1.00 44.45 H new ATOM 0 HD12 ILE A 12 -15.667 -16.236 -14.837 1.00 44.45 H new ATOM 0 HD13 ILE A 12 -16.938 -17.213 -15.609 1.00 44.45 H new ATOM 201 N TYR A 13 -18.631 -18.842 -10.266 1.00 31.12 N ATOM 202 CA TYR A 13 -18.538 -19.982 -9.362 1.00 10.51 C ATOM 203 C TYR A 13 -19.285 -21.187 -9.925 1.00 1.23 C ATOM 204 O TYR A 13 -20.399 -21.060 -10.435 1.00 45.52 O ATOM 205 CB TYR A 13 -19.102 -19.616 -7.987 1.00 60.03 C ATOM 206 CG TYR A 13 -19.224 -20.795 -7.049 1.00 2.20 C ATOM 207 CD1 TYR A 13 -18.102 -21.513 -6.655 1.00 34.41 C ATOM 208 CD2 TYR A 13 -20.462 -21.190 -6.555 1.00 64.42 C ATOM 209 CE1 TYR A 13 -18.209 -22.593 -5.799 1.00 50.11 C ATOM 210 CE2 TYR A 13 -20.578 -22.266 -5.698 1.00 32.04 C ATOM 211 CZ TYR A 13 -19.449 -22.965 -5.323 1.00 53.30 C ATOM 212 OH TYR A 13 -19.560 -24.037 -4.469 1.00 21.42 O ATOM 0 H TYR A 13 -19.546 -18.722 -10.701 1.00 31.12 H new ATOM 0 HA TYR A 13 -17.486 -20.246 -9.258 1.00 10.51 H new ATOM 0 HB2 TYR A 13 -18.460 -18.863 -7.529 1.00 60.03 H new ATOM 0 HB3 TYR A 13 -20.084 -19.162 -8.116 1.00 60.03 H new ATOM 0 HD1 TYR A 13 -17.129 -21.222 -7.024 1.00 34.41 H new ATOM 0 HD2 TYR A 13 -21.348 -20.646 -6.847 1.00 64.42 H new ATOM 0 HE1 TYR A 13 -17.327 -23.142 -5.505 1.00 50.11 H new ATOM 0 HE2 TYR A 13 -21.547 -22.559 -5.323 1.00 32.04 H new ATOM 0 HH TYR A 13 -20.501 -24.166 -4.226 1.00 21.42 H new ATOM 222 N LYS A 14 -18.664 -22.357 -9.829 1.00 4.13 N ATOM 223 CA LYS A 14 -19.268 -23.588 -10.327 1.00 0.22 C ATOM 224 C LYS A 14 -20.228 -24.176 -9.298 1.00 62.53 C ATOM 225 O LYS A 14 -20.086 -23.972 -8.093 1.00 15.22 O ATOM 226 CB LYS A 14 -18.182 -24.610 -10.670 1.00 60.44 C ATOM 227 CG LYS A 14 -17.548 -25.256 -9.452 1.00 30.52 C ATOM 228 CD LYS A 14 -16.442 -26.222 -9.845 1.00 30.40 C ATOM 229 CE LYS A 14 -17.006 -27.564 -10.291 1.00 51.34 C ATOM 230 NZ LYS A 14 -15.930 -28.515 -10.682 1.00 23.43 N ATOM 0 H LYS A 14 -17.742 -22.479 -9.411 1.00 4.13 H new ATOM 0 HA LYS A 14 -19.831 -23.349 -11.229 1.00 0.22 H new ATOM 0 HB2 LYS A 14 -18.613 -25.388 -11.300 1.00 60.44 H new ATOM 0 HB3 LYS A 14 -17.405 -24.119 -11.256 1.00 60.44 H new ATOM 0 HG2 LYS A 14 -17.142 -24.483 -8.799 1.00 30.52 H new ATOM 0 HG3 LYS A 14 -18.311 -25.787 -8.882 1.00 30.52 H new ATOM 0 HD2 LYS A 14 -15.849 -25.789 -10.651 1.00 30.40 H new ATOM 0 HD3 LYS A 14 -15.770 -26.371 -9.000 1.00 30.40 H new ATOM 0 HE2 LYS A 14 -17.597 -27.996 -9.483 1.00 51.34 H new ATOM 0 HE3 LYS A 14 -17.681 -27.412 -11.134 1.00 51.34 H new ATOM 0 HZ1 LYS A 14 -16.293 -29.173 -11.401 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.124 -27.986 -11.072 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -15.620 -29.052 -9.847 1.00 23.43 H new ATOM 244 N PRO A 15 -21.227 -24.928 -9.783 1.00 55.03 N ATOM 245 CA PRO A 15 -22.230 -25.564 -8.922 1.00 44.33 C ATOM 246 C PRO A 15 -21.644 -26.703 -8.096 1.00 3.15 C ATOM 247 O PRO A 15 -20.503 -27.115 -8.307 1.00 52.44 O ATOM 248 CB PRO A 15 -23.262 -26.101 -9.917 1.00 30.22 C ATOM 249 CG PRO A 15 -22.503 -26.295 -11.184 1.00 70.20 C ATOM 250 CD PRO A 15 -21.457 -25.214 -11.209 1.00 72.54 C ATOM 0 HA PRO A 15 -22.643 -24.867 -8.193 1.00 44.33 H new ATOM 0 HB2 PRO A 15 -23.697 -27.038 -9.569 1.00 30.22 H new ATOM 0 HB3 PRO A 15 -24.084 -25.398 -10.052 1.00 30.22 H new ATOM 0 HG2 PRO A 15 -22.044 -27.283 -11.217 1.00 70.20 H new ATOM 0 HG3 PRO A 15 -23.162 -26.221 -12.049 1.00 70.20 H new ATOM 0 HD2 PRO A 15 -20.545 -25.549 -11.704 1.00 72.54 H new ATOM 0 HD3 PRO A 15 -21.805 -24.331 -11.745 1.00 72.54 H new ATOM 258 N ALA A 16 -22.432 -27.209 -7.153 1.00 21.34 N ATOM 259 CA ALA A 16 -21.991 -28.304 -6.296 1.00 12.41 C ATOM 260 C ALA A 16 -22.170 -29.650 -6.988 1.00 63.21 C ATOM 261 O ALA A 16 -23.052 -29.814 -7.832 1.00 13.04 O ATOM 262 CB ALA A 16 -22.753 -28.280 -4.978 1.00 31.34 C ATOM 0 H ALA A 16 -23.378 -26.879 -6.963 1.00 21.34 H new ATOM 0 HA ALA A 16 -20.929 -28.169 -6.093 1.00 12.41 H new ATOM 0 HB1 ALA A 16 -22.415 -29.102 -4.347 1.00 31.34 H new ATOM 0 HB2 ALA A 16 -22.570 -27.333 -4.469 1.00 31.34 H new ATOM 0 HB3 ALA A 16 -23.820 -28.387 -5.173 1.00 31.34 H new ATOM 268 N LYS A 17 -21.326 -30.612 -6.629 1.00 53.33 N ATOM 269 CA LYS A 17 -21.391 -31.945 -7.215 1.00 64.23 C ATOM 270 C LYS A 17 -22.700 -32.637 -6.852 1.00 32.02 C ATOM 271 O LYS A 17 -23.262 -33.383 -7.652 1.00 23.43 O ATOM 272 CB LYS A 17 -20.205 -32.790 -6.743 1.00 12.35 C ATOM 273 CG LYS A 17 -19.828 -33.902 -7.706 1.00 52.23 C ATOM 274 CD LYS A 17 -20.591 -35.181 -7.407 1.00 54.21 C ATOM 275 CE LYS A 17 -19.927 -35.980 -6.297 1.00 13.34 C ATOM 276 NZ LYS A 17 -18.652 -36.603 -6.747 1.00 64.22 N ATOM 0 H LYS A 17 -20.589 -30.493 -5.934 1.00 53.33 H new ATOM 0 HA LYS A 17 -21.346 -31.841 -8.299 1.00 64.23 H new ATOM 0 HB2 LYS A 17 -19.342 -32.140 -6.596 1.00 12.35 H new ATOM 0 HB3 LYS A 17 -20.444 -33.226 -5.773 1.00 12.35 H new ATOM 0 HG2 LYS A 17 -20.034 -33.585 -8.728 1.00 52.23 H new ATOM 0 HG3 LYS A 17 -18.757 -34.093 -7.641 1.00 52.23 H new ATOM 0 HD2 LYS A 17 -21.614 -34.937 -7.119 1.00 54.21 H new ATOM 0 HD3 LYS A 17 -20.650 -35.790 -8.309 1.00 54.21 H new ATOM 0 HE2 LYS A 17 -19.731 -35.327 -5.447 1.00 13.34 H new ATOM 0 HE3 LYS A 17 -20.609 -36.757 -5.952 1.00 13.34 H new ATOM 0 HZ1 LYS A 17 -18.380 -37.356 -6.083 1.00 64.22 H new ATOM 0 HZ2 LYS A 17 -18.780 -37.008 -7.696 1.00 64.22 H new ATOM 0 HZ3 LYS A 17 -17.904 -35.881 -6.777 1.00 64.22 H new ATOM 290 N SER A 18 -23.181 -32.384 -5.639 1.00 1.42 N ATOM 291 CA SER A 18 -24.424 -32.984 -5.168 1.00 2.05 C ATOM 292 C SER A 18 -25.559 -31.966 -5.183 1.00 43.54 C ATOM 293 O SER A 18 -25.707 -31.167 -4.256 1.00 72.44 O ATOM 294 CB SER A 18 -24.241 -33.541 -3.755 1.00 13.14 C ATOM 295 OG SER A 18 -23.377 -32.719 -2.989 1.00 43.04 O ATOM 0 H SER A 18 -22.729 -31.767 -4.964 1.00 1.42 H new ATOM 0 HA SER A 18 -24.684 -33.800 -5.842 1.00 2.05 H new ATOM 0 HB2 SER A 18 -25.210 -33.614 -3.262 1.00 13.14 H new ATOM 0 HB3 SER A 18 -23.834 -34.551 -3.809 1.00 13.14 H new ATOM 0 HG SER A 18 -23.278 -33.096 -2.090 1.00 43.04 H new ATOM 301 N THR A 19 -26.361 -31.998 -6.244 1.00 35.24 N ATOM 302 CA THR A 19 -27.483 -31.080 -6.382 1.00 11.53 C ATOM 303 C THR A 19 -28.798 -31.835 -6.534 1.00 1.14 C ATOM 304 O THR A 19 -28.841 -32.909 -7.134 1.00 51.12 O ATOM 305 CB THR A 19 -27.298 -30.145 -7.593 1.00 24.03 C ATOM 306 OG1 THR A 19 -26.571 -30.821 -8.625 1.00 42.14 O ATOM 307 CG2 THR A 19 -26.558 -28.878 -7.191 1.00 42.02 C ATOM 0 H THR A 19 -26.253 -32.651 -7.020 1.00 35.24 H new ATOM 0 HA THR A 19 -27.515 -30.482 -5.471 1.00 11.53 H new ATOM 0 HB THR A 19 -28.284 -29.867 -7.965 1.00 24.03 H new ATOM 0 HG1 THR A 19 -26.459 -30.222 -9.392 1.00 42.14 H new ATOM 0 HG21 THR A 19 -26.439 -28.234 -8.062 1.00 42.02 H new ATOM 0 HG22 THR A 19 -27.128 -28.351 -6.425 1.00 42.02 H new ATOM 0 HG23 THR A 19 -25.576 -29.140 -6.797 1.00 42.02 H new ATOM 315 N MET A 20 -29.868 -31.268 -5.987 1.00 11.21 N ATOM 316 CA MET A 20 -31.185 -31.889 -6.064 1.00 73.25 C ATOM 317 C MET A 20 -32.168 -30.989 -6.806 1.00 1.40 C ATOM 318 O MET A 20 -33.362 -30.980 -6.507 1.00 53.12 O ATOM 319 CB MET A 20 -31.712 -32.192 -4.660 1.00 53.13 C ATOM 320 CG MET A 20 -32.696 -33.352 -4.618 1.00 50.32 C ATOM 321 SD MET A 20 -31.876 -34.957 -4.610 1.00 22.45 S ATOM 322 CE MET A 20 -32.537 -35.667 -3.104 1.00 51.44 C ATOM 0 H MET A 20 -29.849 -30.380 -5.486 1.00 11.21 H new ATOM 0 HA MET A 20 -31.087 -32.823 -6.617 1.00 73.25 H new ATOM 0 HB2 MET A 20 -30.870 -32.416 -4.005 1.00 53.13 H new ATOM 0 HB3 MET A 20 -32.197 -31.300 -4.262 1.00 53.13 H new ATOM 0 HG2 MET A 20 -33.320 -33.262 -3.729 1.00 50.32 H new ATOM 0 HG3 MET A 20 -33.360 -33.292 -5.480 1.00 50.32 H new ATOM 0 HE1 MET A 20 -32.122 -36.665 -2.960 1.00 51.44 H new ATOM 0 HE2 MET A 20 -32.269 -35.036 -2.256 1.00 51.44 H new ATOM 0 HE3 MET A 20 -33.622 -35.733 -3.179 1.00 51.44 H new ATOM 332 N GLN A 21 -31.658 -30.232 -7.772 1.00 64.34 N ATOM 333 CA GLN A 21 -32.492 -29.327 -8.555 1.00 32.51 C ATOM 334 C GLN A 21 -32.208 -29.478 -10.045 1.00 61.21 C ATOM 335 O GLN A 21 -31.056 -29.622 -10.457 1.00 10.20 O ATOM 336 CB GLN A 21 -32.256 -27.880 -8.122 1.00 41.32 C ATOM 337 CG GLN A 21 -32.929 -27.520 -6.808 1.00 52.12 C ATOM 338 CD GLN A 21 -34.353 -27.034 -6.995 1.00 44.14 C ATOM 339 OE1 GLN A 21 -35.231 -27.793 -7.404 1.00 42.52 O ATOM 340 NE2 GLN A 21 -34.588 -25.761 -6.696 1.00 73.31 N ATOM 0 H GLN A 21 -30.672 -30.227 -8.031 1.00 64.34 H new ATOM 0 HA GLN A 21 -33.535 -29.587 -8.375 1.00 32.51 H new ATOM 0 HB2 GLN A 21 -31.184 -27.707 -8.030 1.00 41.32 H new ATOM 0 HB3 GLN A 21 -32.621 -27.212 -8.902 1.00 41.32 H new ATOM 0 HG2 GLN A 21 -32.930 -28.392 -6.154 1.00 52.12 H new ATOM 0 HG3 GLN A 21 -32.348 -26.746 -6.307 1.00 52.12 H new ATOM 0 HE21 GLN A 21 -33.829 -25.168 -6.360 1.00 73.31 H new ATOM 0 HE22 GLN A 21 -35.527 -25.377 -6.803 1.00 73.31 H new ATOM 349 N SER A 22 -33.265 -29.444 -10.851 1.00 31.34 N ATOM 350 CA SER A 22 -33.129 -29.582 -12.296 1.00 33.21 C ATOM 351 C SER A 22 -33.565 -28.303 -13.006 1.00 73.33 C ATOM 352 O SER A 22 -32.982 -27.912 -14.017 1.00 12.05 O ATOM 353 CB SER A 22 -33.960 -30.765 -12.798 1.00 0.11 C ATOM 354 OG SER A 22 -33.296 -31.993 -12.554 1.00 23.11 O ATOM 0 H SER A 22 -34.225 -29.322 -10.527 1.00 31.34 H new ATOM 0 HA SER A 22 -32.078 -29.764 -12.522 1.00 33.21 H new ATOM 0 HB2 SER A 22 -34.931 -30.768 -12.303 1.00 0.11 H new ATOM 0 HB3 SER A 22 -34.147 -30.655 -13.866 1.00 0.11 H new ATOM 0 HG SER A 22 -33.847 -32.734 -12.882 1.00 23.11 H new ATOM 360 N GLY A 23 -34.595 -27.658 -12.469 1.00 11.42 N ATOM 361 CA GLY A 23 -35.093 -26.431 -13.063 1.00 52.24 C ATOM 362 C GLY A 23 -35.931 -26.684 -14.300 1.00 50.13 C ATOM 363 O GLY A 23 -35.397 -26.951 -15.377 1.00 64.04 O ATOM 0 H GLY A 23 -35.094 -27.963 -11.633 1.00 11.42 H new ATOM 0 HA2 GLY A 23 -35.690 -25.891 -12.328 1.00 52.24 H new ATOM 0 HA3 GLY A 23 -34.251 -25.789 -13.323 1.00 52.24 H new ATOM 367 N HIS A 24 -37.249 -26.601 -14.148 1.00 15.14 N ATOM 368 CA HIS A 24 -38.164 -26.825 -15.262 1.00 44.54 C ATOM 369 C HIS A 24 -38.424 -25.526 -16.020 1.00 3.21 C ATOM 370 O HIS A 24 -38.307 -25.477 -17.245 1.00 11.32 O ATOM 371 CB HIS A 24 -39.483 -27.407 -14.757 1.00 14.32 C ATOM 372 CG HIS A 24 -40.281 -28.095 -15.822 1.00 54.04 C ATOM 373 ND1 HIS A 24 -40.130 -27.827 -17.166 1.00 72.35 N ATOM 374 CD2 HIS A 24 -41.241 -29.046 -15.735 1.00 24.23 C ATOM 375 CE1 HIS A 24 -40.963 -28.582 -17.859 1.00 35.20 C ATOM 376 NE2 HIS A 24 -41.648 -29.332 -17.014 1.00 3.22 N ATOM 0 H HIS A 24 -37.707 -26.380 -13.264 1.00 15.14 H new ATOM 0 HA HIS A 24 -37.700 -27.537 -15.944 1.00 44.54 H new ATOM 0 HB2 HIS A 24 -39.275 -28.116 -13.956 1.00 14.32 H new ATOM 0 HB3 HIS A 24 -40.083 -26.606 -14.326 1.00 14.32 H new ATOM 0 HD1 HIS A 24 -39.477 -27.151 -17.563 1.00 72.35 H new ATOM 0 HD2 HIS A 24 -41.617 -29.496 -14.828 1.00 24.23 H new ATOM 0 HE1 HIS A 24 -41.067 -28.586 -18.934 1.00 35.20 H new ATOM 384 N SER A 25 -38.777 -24.478 -15.284 1.00 51.20 N ATOM 385 CA SER A 25 -39.058 -23.180 -15.888 1.00 31.04 C ATOM 386 C SER A 25 -37.903 -22.211 -15.656 1.00 62.22 C ATOM 387 O SER A 25 -38.112 -21.040 -15.342 1.00 41.12 O ATOM 388 CB SER A 25 -40.350 -22.597 -15.314 1.00 51.13 C ATOM 389 OG SER A 25 -41.489 -23.165 -15.938 1.00 64.14 O ATOM 0 H SER A 25 -38.875 -24.501 -14.269 1.00 51.20 H new ATOM 0 HA SER A 25 -39.178 -23.325 -16.962 1.00 31.04 H new ATOM 0 HB2 SER A 25 -40.390 -22.781 -14.240 1.00 51.13 H new ATOM 0 HB3 SER A 25 -40.357 -21.516 -15.452 1.00 51.13 H new ATOM 0 HG SER A 25 -42.302 -22.776 -15.552 1.00 64.14 H new ATOM 395 N LYS A 26 -36.681 -22.710 -15.813 1.00 42.41 N ATOM 396 CA LYS A 26 -35.489 -21.890 -15.623 1.00 34.31 C ATOM 397 C LYS A 26 -34.233 -22.655 -16.027 1.00 72.01 C ATOM 398 O LYS A 26 -34.159 -23.875 -15.871 1.00 14.13 O ATOM 399 CB LYS A 26 -35.380 -21.444 -14.163 1.00 32.11 C ATOM 400 CG LYS A 26 -35.324 -22.598 -13.177 1.00 4.42 C ATOM 401 CD LYS A 26 -35.475 -22.115 -11.744 1.00 42.42 C ATOM 402 CE LYS A 26 -35.954 -23.229 -10.827 1.00 52.14 C ATOM 403 NZ LYS A 26 -37.402 -23.523 -11.021 1.00 4.43 N ATOM 0 H LYS A 26 -36.490 -23.678 -16.071 1.00 42.41 H new ATOM 0 HA LYS A 26 -35.578 -21.010 -16.260 1.00 34.31 H new ATOM 0 HB2 LYS A 26 -34.486 -20.832 -14.045 1.00 32.11 H new ATOM 0 HB3 LYS A 26 -36.234 -20.811 -13.921 1.00 32.11 H new ATOM 0 HG2 LYS A 26 -36.115 -23.312 -13.406 1.00 4.42 H new ATOM 0 HG3 LYS A 26 -34.376 -23.125 -13.286 1.00 4.42 H new ATOM 0 HD2 LYS A 26 -34.519 -21.733 -11.385 1.00 42.42 H new ATOM 0 HD3 LYS A 26 -36.182 -21.286 -11.711 1.00 42.42 H new ATOM 0 HE2 LYS A 26 -35.372 -24.131 -11.016 1.00 52.14 H new ATOM 0 HE3 LYS A 26 -35.776 -22.947 -9.789 1.00 52.14 H new ATOM 0 HZ1 LYS A 26 -37.742 -24.121 -10.241 1.00 4.43 H new ATOM 0 HZ2 LYS A 26 -37.938 -22.632 -11.034 1.00 4.43 H new ATOM 0 HZ3 LYS A 26 -37.537 -24.021 -11.924 1.00 4.43 H new ATOM 417 N LEU A 27 -33.247 -21.932 -16.546 1.00 54.15 N ATOM 418 CA LEU A 27 -31.993 -22.543 -16.972 1.00 1.54 C ATOM 419 C LEU A 27 -30.801 -21.852 -16.316 1.00 53.20 C ATOM 420 O LEU A 27 -30.350 -20.801 -16.771 1.00 52.41 O ATOM 421 CB LEU A 27 -31.860 -22.475 -18.495 1.00 34.12 C ATOM 422 CG LEU A 27 -32.501 -23.623 -19.275 1.00 42.20 C ATOM 423 CD1 LEU A 27 -32.615 -23.267 -20.749 1.00 32.31 C ATOM 424 CD2 LEU A 27 -31.699 -24.903 -19.094 1.00 75.42 C ATOM 0 H LEU A 27 -33.292 -20.922 -16.682 1.00 54.15 H new ATOM 0 HA LEU A 27 -32.002 -23.587 -16.660 1.00 1.54 H new ATOM 0 HB2 LEU A 27 -32.301 -21.539 -18.837 1.00 34.12 H new ATOM 0 HB3 LEU A 27 -30.800 -22.439 -18.746 1.00 34.12 H new ATOM 0 HG LEU A 27 -33.505 -23.788 -18.883 1.00 42.20 H new ATOM 0 HD11 LEU A 27 -33.073 -24.095 -21.289 1.00 32.31 H new ATOM 0 HD12 LEU A 27 -33.232 -22.375 -20.861 1.00 32.31 H new ATOM 0 HD13 LEU A 27 -31.622 -23.075 -21.155 1.00 32.31 H new ATOM 0 HD21 LEU A 27 -32.170 -25.710 -19.656 1.00 75.42 H new ATOM 0 HD22 LEU A 27 -30.683 -24.751 -19.459 1.00 75.42 H new ATOM 0 HD23 LEU A 27 -31.669 -25.167 -18.037 1.00 75.42 H new ATOM 436 N LYS A 28 -30.294 -22.451 -15.244 1.00 0.23 N ATOM 437 CA LYS A 28 -29.152 -21.898 -14.526 1.00 44.41 C ATOM 438 C LYS A 28 -28.385 -22.994 -13.794 1.00 71.32 C ATOM 439 O LYS A 28 -28.932 -23.673 -12.926 1.00 33.32 O ATOM 440 CB LYS A 28 -29.618 -20.834 -13.529 1.00 34.11 C ATOM 441 CG LYS A 28 -30.817 -21.261 -12.699 1.00 5.02 C ATOM 442 CD LYS A 28 -30.813 -20.600 -11.331 1.00 20.51 C ATOM 443 CE LYS A 28 -30.118 -21.469 -10.294 1.00 71.33 C ATOM 444 NZ LYS A 28 -30.821 -22.767 -10.098 1.00 14.34 N ATOM 0 H LYS A 28 -30.656 -23.321 -14.853 1.00 0.23 H new ATOM 0 HA LYS A 28 -28.485 -21.438 -15.255 1.00 44.41 H new ATOM 0 HB2 LYS A 28 -28.793 -20.588 -12.860 1.00 34.11 H new ATOM 0 HB3 LYS A 28 -29.869 -19.924 -14.073 1.00 34.11 H new ATOM 0 HG2 LYS A 28 -31.736 -21.003 -13.226 1.00 5.02 H new ATOM 0 HG3 LYS A 28 -30.811 -22.345 -12.580 1.00 5.02 H new ATOM 0 HD2 LYS A 28 -30.311 -19.635 -11.394 1.00 20.51 H new ATOM 0 HD3 LYS A 28 -31.838 -20.406 -11.016 1.00 20.51 H new ATOM 0 HE2 LYS A 28 -29.091 -21.656 -10.606 1.00 71.33 H new ATOM 0 HE3 LYS A 28 -30.071 -20.935 -9.345 1.00 71.33 H new ATOM 0 HZ1 LYS A 28 -31.111 -22.858 -9.103 1.00 14.34 H new ATOM 0 HZ2 LYS A 28 -31.662 -22.802 -10.708 1.00 14.34 H new ATOM 0 HZ3 LYS A 28 -30.181 -23.549 -10.345 1.00 14.34 H new ATOM 458 N ALA A 29 -27.116 -23.160 -14.149 1.00 10.23 N ATOM 459 CA ALA A 29 -26.273 -24.172 -13.523 1.00 52.02 C ATOM 460 C ALA A 29 -25.068 -23.536 -12.839 1.00 20.14 C ATOM 461 O ALA A 29 -24.614 -24.008 -11.796 1.00 51.14 O ATOM 462 CB ALA A 29 -25.818 -25.191 -14.557 1.00 23.53 C ATOM 0 H ALA A 29 -26.648 -22.607 -14.867 1.00 10.23 H new ATOM 0 HA ALA A 29 -26.863 -24.681 -12.761 1.00 52.02 H new ATOM 0 HB1 ALA A 29 -25.189 -25.941 -14.077 1.00 23.53 H new ATOM 0 HB2 ALA A 29 -26.689 -25.676 -14.998 1.00 23.53 H new ATOM 0 HB3 ALA A 29 -25.249 -24.687 -15.338 1.00 23.53 H new ATOM 468 N TRP A 30 -24.555 -22.463 -13.430 1.00 73.53 N ATOM 469 CA TRP A 30 -23.402 -21.764 -12.876 1.00 42.30 C ATOM 470 C TRP A 30 -23.828 -20.472 -12.188 1.00 40.32 C ATOM 471 O TRP A 30 -24.952 -20.003 -12.366 1.00 32.13 O ATOM 472 CB TRP A 30 -22.387 -21.457 -13.980 1.00 33.53 C ATOM 473 CG TRP A 30 -21.499 -22.619 -14.309 1.00 23.23 C ATOM 474 CD1 TRP A 30 -21.862 -23.777 -14.936 1.00 42.31 C ATOM 475 CD2 TRP A 30 -20.100 -22.736 -14.025 1.00 11.31 C ATOM 476 NE1 TRP A 30 -20.772 -24.606 -15.060 1.00 55.12 N ATOM 477 CE2 TRP A 30 -19.680 -23.990 -14.509 1.00 22.21 C ATOM 478 CE3 TRP A 30 -19.162 -21.903 -13.410 1.00 42.11 C ATOM 479 CZ2 TRP A 30 -18.363 -24.429 -14.396 1.00 53.32 C ATOM 480 CZ3 TRP A 30 -17.855 -22.339 -13.299 1.00 13.25 C ATOM 481 CH2 TRP A 30 -17.465 -23.593 -13.790 1.00 53.13 C ATOM 0 H TRP A 30 -24.919 -22.058 -14.293 1.00 73.53 H new ATOM 0 HA TRP A 30 -22.937 -22.413 -12.134 1.00 42.30 H new ATOM 0 HB2 TRP A 30 -22.921 -21.150 -14.880 1.00 33.53 H new ATOM 0 HB3 TRP A 30 -21.770 -20.613 -13.672 1.00 33.53 H new ATOM 0 HD1 TRP A 30 -22.858 -24.007 -15.283 1.00 42.31 H new ATOM 0 HE1 TRP A 30 -20.776 -25.530 -15.492 1.00 55.12 H new ATOM 0 HE3 TRP A 30 -19.453 -20.936 -13.028 1.00 42.11 H new ATOM 0 HZ2 TRP A 30 -18.061 -25.395 -14.773 1.00 53.32 H new ATOM 0 HZ3 TRP A 30 -17.122 -21.703 -12.826 1.00 13.25 H new ATOM 0 HH2 TRP A 30 -16.436 -23.905 -13.688 1.00 53.13 H new ATOM 492 N LYS A 31 -22.923 -19.899 -11.402 1.00 22.05 N ATOM 493 CA LYS A 31 -23.204 -18.659 -10.687 1.00 64.25 C ATOM 494 C LYS A 31 -22.254 -17.550 -11.128 1.00 53.33 C ATOM 495 O LYS A 31 -21.113 -17.811 -11.509 1.00 51.14 O ATOM 496 CB LYS A 31 -23.083 -18.879 -9.178 1.00 0.42 C ATOM 497 CG LYS A 31 -23.396 -17.639 -8.357 1.00 23.45 C ATOM 498 CD LYS A 31 -23.765 -17.996 -6.926 1.00 74.43 C ATOM 499 CE LYS A 31 -23.463 -16.853 -5.970 1.00 23.24 C ATOM 500 NZ LYS A 31 -22.082 -16.942 -5.419 1.00 62.22 N ATOM 0 H LYS A 31 -21.988 -20.274 -11.244 1.00 22.05 H new ATOM 0 HA LYS A 31 -24.224 -18.355 -10.923 1.00 64.25 H new ATOM 0 HB2 LYS A 31 -23.758 -19.682 -8.881 1.00 0.42 H new ATOM 0 HB3 LYS A 31 -22.071 -19.212 -8.947 1.00 0.42 H new ATOM 0 HG2 LYS A 31 -22.532 -16.975 -8.356 1.00 23.45 H new ATOM 0 HG3 LYS A 31 -24.218 -17.093 -8.820 1.00 23.45 H new ATOM 0 HD2 LYS A 31 -24.825 -18.245 -6.874 1.00 74.43 H new ATOM 0 HD3 LYS A 31 -23.214 -18.884 -6.618 1.00 74.43 H new ATOM 0 HE2 LYS A 31 -23.586 -15.903 -6.489 1.00 23.24 H new ATOM 0 HE3 LYS A 31 -24.182 -16.864 -5.151 1.00 23.24 H new ATOM 0 HZ1 LYS A 31 -21.914 -16.145 -4.772 1.00 62.22 H new ATOM 0 HZ2 LYS A 31 -21.972 -17.837 -4.902 1.00 62.22 H new ATOM 0 HZ3 LYS A 31 -21.394 -16.905 -6.198 1.00 62.22 H new ATOM 514 N LEU A 32 -22.733 -16.312 -11.073 1.00 61.12 N ATOM 515 CA LEU A 32 -21.927 -15.162 -11.466 1.00 1.52 C ATOM 516 C LEU A 32 -22.300 -13.929 -10.648 1.00 55.00 C ATOM 517 O LEU A 32 -23.476 -13.587 -10.527 1.00 50.20 O ATOM 518 CB LEU A 32 -22.108 -14.871 -12.956 1.00 64.31 C ATOM 519 CG LEU A 32 -21.195 -13.795 -13.546 1.00 72.43 C ATOM 520 CD1 LEU A 32 -21.719 -12.408 -13.208 1.00 34.41 C ATOM 521 CD2 LEU A 32 -19.771 -13.967 -13.041 1.00 5.23 C ATOM 0 H LEU A 32 -23.675 -16.079 -10.760 1.00 61.12 H new ATOM 0 HA LEU A 32 -20.881 -15.402 -11.273 1.00 1.52 H new ATOM 0 HB2 LEU A 32 -21.949 -15.797 -13.508 1.00 64.31 H new ATOM 0 HB3 LEU A 32 -23.143 -14.573 -13.124 1.00 64.31 H new ATOM 0 HG LEU A 32 -21.189 -13.905 -14.630 1.00 72.43 H new ATOM 0 HD11 LEU A 32 -21.057 -11.655 -13.636 1.00 34.41 H new ATOM 0 HD12 LEU A 32 -22.721 -12.287 -13.620 1.00 34.41 H new ATOM 0 HD13 LEU A 32 -21.755 -12.287 -12.125 1.00 34.41 H new ATOM 0 HD21 LEU A 32 -19.136 -13.193 -13.472 1.00 5.23 H new ATOM 0 HD22 LEU A 32 -19.758 -13.884 -11.954 1.00 5.23 H new ATOM 0 HD23 LEU A 32 -19.397 -14.948 -13.335 1.00 5.23 H new ATOM 533 N GLU A 33 -21.292 -13.267 -10.089 1.00 61.35 N ATOM 534 CA GLU A 33 -21.516 -12.072 -9.285 1.00 71.22 C ATOM 535 C GLU A 33 -20.596 -10.937 -9.727 1.00 31.31 C ATOM 536 O GLU A 33 -19.395 -10.955 -9.457 1.00 32.23 O ATOM 537 CB GLU A 33 -21.290 -12.379 -7.803 1.00 12.31 C ATOM 538 CG GLU A 33 -22.573 -12.645 -7.034 1.00 1.41 C ATOM 539 CD GLU A 33 -23.080 -11.416 -6.303 1.00 71.40 C ATOM 540 OE1 GLU A 33 -23.352 -10.399 -6.973 1.00 53.41 O ATOM 541 OE2 GLU A 33 -23.205 -11.473 -5.062 1.00 11.25 O ATOM 0 H GLU A 33 -20.313 -13.538 -10.178 1.00 61.35 H new ATOM 0 HA GLU A 33 -22.549 -11.756 -9.430 1.00 71.22 H new ATOM 0 HB2 GLU A 33 -20.637 -13.248 -7.716 1.00 12.31 H new ATOM 0 HB3 GLU A 33 -20.768 -11.541 -7.342 1.00 12.31 H new ATOM 0 HG2 GLU A 33 -23.340 -12.995 -7.725 1.00 1.41 H new ATOM 0 HG3 GLU A 33 -22.402 -13.446 -6.315 1.00 1.41 H new ATOM 548 N PHE A 34 -21.169 -9.952 -10.409 1.00 45.04 N ATOM 549 CA PHE A 34 -20.401 -8.809 -10.891 1.00 5.20 C ATOM 550 C PHE A 34 -20.383 -7.689 -9.854 1.00 24.44 C ATOM 551 O PHE A 34 -21.379 -7.443 -9.175 1.00 50.20 O ATOM 552 CB PHE A 34 -20.987 -8.292 -12.206 1.00 55.34 C ATOM 553 CG PHE A 34 -22.307 -7.594 -12.041 1.00 71.22 C ATOM 554 CD1 PHE A 34 -23.481 -8.322 -11.930 1.00 42.11 C ATOM 555 CD2 PHE A 34 -22.374 -6.211 -11.996 1.00 12.22 C ATOM 556 CE1 PHE A 34 -24.697 -7.682 -11.779 1.00 11.22 C ATOM 557 CE2 PHE A 34 -23.587 -5.566 -11.844 1.00 11.51 C ATOM 558 CZ PHE A 34 -24.749 -6.303 -11.734 1.00 54.25 C ATOM 0 H PHE A 34 -22.162 -9.921 -10.641 1.00 45.04 H new ATOM 0 HA PHE A 34 -19.376 -9.138 -11.062 1.00 5.20 H new ATOM 0 HB2 PHE A 34 -20.277 -7.605 -12.666 1.00 55.34 H new ATOM 0 HB3 PHE A 34 -21.111 -9.129 -12.893 1.00 55.34 H new ATOM 0 HD1 PHE A 34 -23.446 -9.401 -11.962 1.00 42.11 H new ATOM 0 HD2 PHE A 34 -21.468 -5.630 -12.081 1.00 12.22 H new ATOM 0 HE1 PHE A 34 -25.605 -8.260 -11.696 1.00 11.22 H new ATOM 0 HE2 PHE A 34 -23.626 -4.487 -11.811 1.00 11.51 H new ATOM 0 HZ PHE A 34 -25.698 -5.801 -11.613 1.00 54.25 H new ATOM 568 N GLU A 35 -19.242 -7.017 -9.739 1.00 54.43 N ATOM 569 CA GLU A 35 -19.094 -5.925 -8.784 1.00 13.22 C ATOM 570 C GLU A 35 -20.137 -4.838 -9.034 1.00 21.15 C ATOM 571 O GLU A 35 -20.716 -4.736 -10.114 1.00 74.23 O ATOM 572 CB GLU A 35 -17.688 -5.328 -8.872 1.00 50.12 C ATOM 573 CG GLU A 35 -16.739 -5.843 -7.803 1.00 74.53 C ATOM 574 CD GLU A 35 -16.839 -7.344 -7.610 1.00 23.13 C ATOM 575 OE1 GLU A 35 -16.814 -8.074 -8.622 1.00 74.42 O ATOM 576 OE2 GLU A 35 -16.940 -7.788 -6.447 1.00 53.23 O ATOM 0 H GLU A 35 -18.408 -7.209 -10.294 1.00 54.43 H new ATOM 0 HA GLU A 35 -19.248 -6.328 -7.783 1.00 13.22 H new ATOM 0 HB2 GLU A 35 -17.270 -5.549 -9.854 1.00 50.12 H new ATOM 0 HB3 GLU A 35 -17.758 -4.243 -8.792 1.00 50.12 H new ATOM 0 HG2 GLU A 35 -15.716 -5.582 -8.074 1.00 74.53 H new ATOM 0 HG3 GLU A 35 -16.955 -5.344 -6.859 1.00 74.53 H new ATOM 583 N PRO A 36 -20.381 -4.007 -8.009 1.00 21.41 N ATOM 584 CA PRO A 36 -21.353 -2.914 -8.092 1.00 14.40 C ATOM 585 C PRO A 36 -20.889 -1.794 -9.018 1.00 71.42 C ATOM 586 O PRO A 36 -21.650 -0.878 -9.329 1.00 10.14 O ATOM 587 CB PRO A 36 -21.445 -2.411 -6.649 1.00 51.20 C ATOM 588 CG PRO A 36 -20.141 -2.783 -6.034 1.00 32.11 C ATOM 589 CD PRO A 36 -19.726 -4.071 -6.692 1.00 71.03 C ATOM 0 HA PRO A 36 -22.306 -3.247 -8.504 1.00 14.40 H new ATOM 0 HB2 PRO A 36 -21.606 -1.333 -6.615 1.00 51.20 H new ATOM 0 HB3 PRO A 36 -22.278 -2.874 -6.121 1.00 51.20 H new ATOM 0 HG2 PRO A 36 -19.396 -2.004 -6.197 1.00 32.11 H new ATOM 0 HG3 PRO A 36 -20.240 -2.909 -4.956 1.00 32.11 H new ATOM 0 HD2 PRO A 36 -18.642 -4.144 -6.785 1.00 71.03 H new ATOM 0 HD3 PRO A 36 -20.056 -4.939 -6.121 1.00 71.03 H new ATOM 597 N SER A 37 -19.638 -1.875 -9.455 1.00 25.13 N ATOM 598 CA SER A 37 -19.071 -0.866 -10.343 1.00 33.52 C ATOM 599 C SER A 37 -19.072 0.506 -9.677 1.00 21.23 C ATOM 600 O SER A 37 -19.083 1.537 -10.352 1.00 31.43 O ATOM 601 CB SER A 37 -19.860 -0.809 -11.654 1.00 23.45 C ATOM 602 OG SER A 37 -19.103 -0.186 -12.677 1.00 60.12 O ATOM 0 H SER A 37 -18.996 -2.629 -9.209 1.00 25.13 H new ATOM 0 HA SER A 37 -18.040 -1.145 -10.559 1.00 33.52 H new ATOM 0 HB2 SER A 37 -20.133 -1.818 -11.962 1.00 23.45 H new ATOM 0 HB3 SER A 37 -20.789 -0.261 -11.499 1.00 23.45 H new ATOM 0 HG SER A 37 -18.773 0.680 -12.358 1.00 60.12 H new ATOM 608 N CYS A 38 -19.059 0.511 -8.349 1.00 11.11 N ATOM 609 CA CYS A 38 -19.059 1.756 -7.588 1.00 43.14 C ATOM 610 C CYS A 38 -20.333 2.554 -7.850 1.00 61.50 C ATOM 611 O CYS A 38 -20.325 3.784 -7.823 1.00 13.14 O ATOM 612 CB CYS A 38 -17.833 2.598 -7.949 1.00 41.33 C ATOM 613 SG CYS A 38 -17.264 3.681 -6.618 1.00 64.21 S ATOM 0 H CYS A 38 -19.048 -0.333 -7.776 1.00 11.11 H new ATOM 0 HA CYS A 38 -19.020 1.505 -6.528 1.00 43.14 H new ATOM 0 HB2 CYS A 38 -17.019 1.932 -8.234 1.00 41.33 H new ATOM 0 HB3 CYS A 38 -18.068 3.206 -8.823 1.00 41.33 H new ATOM 0 HG CYS A 38 -16.223 4.350 -7.018 1.00 64.21 H new ATOM 619 N THR A 39 -21.427 1.843 -8.106 1.00 22.02 N ATOM 620 CA THR A 39 -22.708 2.483 -8.375 1.00 11.00 C ATOM 621 C THR A 39 -23.864 1.514 -8.152 1.00 15.13 C ATOM 622 O THR A 39 -23.666 0.301 -8.093 1.00 5.52 O ATOM 623 CB THR A 39 -22.775 3.021 -9.817 1.00 32.44 C ATOM 624 OG1 THR A 39 -22.006 2.185 -10.688 1.00 33.43 O ATOM 625 CG2 THR A 39 -22.256 4.449 -9.886 1.00 21.32 C ATOM 0 H THR A 39 -21.451 0.824 -8.133 1.00 22.02 H new ATOM 0 HA THR A 39 -22.797 3.317 -7.679 1.00 11.00 H new ATOM 0 HB THR A 39 -23.817 3.015 -10.136 1.00 32.44 H new ATOM 0 HG1 THR A 39 -22.055 2.533 -11.603 1.00 33.43 H new ATOM 0 HG21 THR A 39 -22.313 4.808 -10.914 1.00 21.32 H new ATOM 0 HG22 THR A 39 -22.863 5.088 -9.245 1.00 21.32 H new ATOM 0 HG23 THR A 39 -21.220 4.476 -9.549 1.00 21.32 H new ATOM 633 N GLN A 40 -25.070 2.058 -8.028 1.00 42.24 N ATOM 634 CA GLN A 40 -26.258 1.240 -7.812 1.00 52.41 C ATOM 635 C GLN A 40 -27.230 1.372 -8.981 1.00 22.13 C ATOM 636 O GLN A 40 -28.435 1.531 -8.784 1.00 23.41 O ATOM 637 CB GLN A 40 -26.951 1.646 -6.509 1.00 73.44 C ATOM 638 CG GLN A 40 -26.041 1.585 -5.292 1.00 75.24 C ATOM 639 CD GLN A 40 -26.777 1.879 -4.000 1.00 32.22 C ATOM 640 OE1 GLN A 40 -27.633 2.763 -3.947 1.00 11.41 O ATOM 641 NE2 GLN A 40 -26.447 1.138 -2.949 1.00 23.15 N ATOM 0 H GLN A 40 -25.251 3.061 -8.073 1.00 42.24 H new ATOM 0 HA GLN A 40 -25.944 0.199 -7.740 1.00 52.41 H new ATOM 0 HB2 GLN A 40 -27.337 2.660 -6.613 1.00 73.44 H new ATOM 0 HB3 GLN A 40 -27.808 0.993 -6.344 1.00 73.44 H new ATOM 0 HG2 GLN A 40 -25.588 0.596 -5.231 1.00 75.24 H new ATOM 0 HG3 GLN A 40 -25.228 2.301 -5.414 1.00 75.24 H new ATOM 0 HE21 GLN A 40 -25.732 0.416 -3.038 1.00 23.15 H new ATOM 0 HE22 GLN A 40 -26.909 1.290 -2.052 1.00 23.15 H new ATOM 650 N TYR A 41 -26.697 1.303 -10.195 1.00 52.24 N ATOM 651 CA TYR A 41 -27.518 1.417 -11.396 1.00 30.11 C ATOM 652 C TYR A 41 -28.000 0.046 -11.858 1.00 21.21 C ATOM 653 O TYR A 41 -27.453 -0.535 -12.797 1.00 75.10 O ATOM 654 CB TYR A 41 -26.728 2.097 -12.516 1.00 31.31 C ATOM 655 CG TYR A 41 -27.601 2.743 -13.567 1.00 41.11 C ATOM 656 CD1 TYR A 41 -28.552 3.695 -13.220 1.00 10.23 C ATOM 657 CD2 TYR A 41 -27.475 2.403 -14.909 1.00 12.14 C ATOM 658 CE1 TYR A 41 -29.353 4.287 -14.177 1.00 11.25 C ATOM 659 CE2 TYR A 41 -28.271 2.992 -15.872 1.00 23.21 C ATOM 660 CZ TYR A 41 -29.208 3.933 -15.501 1.00 72.01 C ATOM 661 OH TYR A 41 -30.003 4.522 -16.457 1.00 73.45 O ATOM 0 H TYR A 41 -25.702 1.169 -10.375 1.00 52.24 H new ATOM 0 HA TYR A 41 -28.389 2.025 -11.154 1.00 30.11 H new ATOM 0 HB2 TYR A 41 -26.076 2.855 -12.081 1.00 31.31 H new ATOM 0 HB3 TYR A 41 -26.084 1.359 -12.994 1.00 31.31 H new ATOM 0 HD1 TYR A 41 -28.667 3.977 -12.184 1.00 10.23 H new ATOM 0 HD2 TYR A 41 -26.743 1.666 -15.204 1.00 12.14 H new ATOM 0 HE1 TYR A 41 -30.089 5.023 -13.889 1.00 11.25 H new ATOM 0 HE2 TYR A 41 -28.160 2.717 -16.910 1.00 23.21 H new ATOM 0 HH TYR A 41 -29.774 4.163 -17.340 1.00 73.45 H new ATOM 671 N THR A 42 -29.028 -0.468 -11.192 1.00 14.13 N ATOM 672 CA THR A 42 -29.585 -1.771 -11.532 1.00 74.23 C ATOM 673 C THR A 42 -31.104 -1.707 -11.648 1.00 71.13 C ATOM 674 O THR A 42 -31.791 -1.321 -10.703 1.00 33.02 O ATOM 675 CB THR A 42 -29.206 -2.835 -10.485 1.00 71.11 C ATOM 676 OG1 THR A 42 -29.403 -2.316 -9.165 1.00 51.14 O ATOM 677 CG2 THR A 42 -27.759 -3.269 -10.655 1.00 5.24 C ATOM 0 H THR A 42 -29.493 -0.001 -10.413 1.00 14.13 H new ATOM 0 HA THR A 42 -29.161 -2.053 -12.496 1.00 74.23 H new ATOM 0 HB THR A 42 -29.848 -3.703 -10.632 1.00 71.11 H new ATOM 0 HG1 THR A 42 -30.226 -1.784 -9.142 1.00 51.14 H new ATOM 0 HG21 THR A 42 -27.514 -4.021 -9.905 1.00 5.24 H new ATOM 0 HG22 THR A 42 -27.620 -3.691 -11.650 1.00 5.24 H new ATOM 0 HG23 THR A 42 -27.104 -2.407 -10.532 1.00 5.24 H new ATOM 685 N GLU A 43 -31.622 -2.088 -12.812 1.00 24.23 N ATOM 686 CA GLU A 43 -33.061 -2.073 -13.049 1.00 44.10 C ATOM 687 C GLU A 43 -33.463 -3.176 -14.025 1.00 43.31 C ATOM 688 O GLU A 43 -33.841 -2.920 -15.168 1.00 42.12 O ATOM 689 CB GLU A 43 -33.495 -0.712 -13.594 1.00 54.54 C ATOM 690 CG GLU A 43 -33.851 0.293 -12.510 1.00 44.22 C ATOM 691 CD GLU A 43 -34.172 1.665 -13.069 1.00 51.30 C ATOM 692 OE1 GLU A 43 -34.523 1.753 -14.265 1.00 32.13 O ATOM 693 OE2 GLU A 43 -34.074 2.652 -12.311 1.00 11.12 O ATOM 0 H GLU A 43 -31.067 -2.410 -13.605 1.00 24.23 H new ATOM 0 HA GLU A 43 -33.563 -2.253 -12.098 1.00 44.10 H new ATOM 0 HB2 GLU A 43 -32.692 -0.303 -14.207 1.00 54.54 H new ATOM 0 HB3 GLU A 43 -34.357 -0.850 -14.247 1.00 54.54 H new ATOM 0 HG2 GLU A 43 -34.708 -0.075 -11.946 1.00 44.22 H new ATOM 0 HG3 GLU A 43 -33.020 0.376 -11.809 1.00 44.22 H new ATOM 700 N PRO A 44 -33.378 -4.433 -13.564 1.00 43.53 N ATOM 701 CA PRO A 44 -33.729 -5.599 -14.378 1.00 62.34 C ATOM 702 C PRO A 44 -35.227 -5.692 -14.644 1.00 75.14 C ATOM 703 O PRO A 44 -35.997 -4.824 -14.229 1.00 30.24 O ATOM 704 CB PRO A 44 -33.263 -6.781 -13.525 1.00 23.35 C ATOM 705 CG PRO A 44 -33.286 -6.270 -12.126 1.00 72.40 C ATOM 706 CD PRO A 44 -32.936 -4.810 -12.212 1.00 22.32 C ATOM 0 HA PRO A 44 -33.268 -5.560 -15.365 1.00 62.34 H new ATOM 0 HB2 PRO A 44 -33.924 -7.640 -13.644 1.00 23.35 H new ATOM 0 HB3 PRO A 44 -32.263 -7.106 -13.811 1.00 23.35 H new ATOM 0 HG2 PRO A 44 -34.269 -6.410 -11.676 1.00 72.40 H new ATOM 0 HG3 PRO A 44 -32.571 -6.807 -11.503 1.00 72.40 H new ATOM 0 HD2 PRO A 44 -33.447 -4.228 -11.445 1.00 22.32 H new ATOM 0 HD3 PRO A 44 -31.867 -4.644 -12.078 1.00 22.32 H new ATOM 714 N LEU A 45 -35.637 -6.750 -15.337 1.00 41.33 N ATOM 715 CA LEU A 45 -37.045 -6.956 -15.656 1.00 61.45 C ATOM 716 C LEU A 45 -37.485 -8.369 -15.289 1.00 23.33 C ATOM 717 O LEU A 45 -36.691 -9.310 -15.335 1.00 52.55 O ATOM 718 CB LEU A 45 -37.292 -6.705 -17.145 1.00 1.41 C ATOM 719 CG LEU A 45 -38.704 -6.255 -17.524 1.00 64.22 C ATOM 720 CD1 LEU A 45 -38.678 -5.443 -18.810 1.00 13.44 C ATOM 721 CD2 LEU A 45 -39.625 -7.458 -17.670 1.00 10.30 C ATOM 0 H LEU A 45 -35.014 -7.477 -15.688 1.00 41.33 H new ATOM 0 HA LEU A 45 -37.632 -6.248 -15.071 1.00 61.45 H new ATOM 0 HB2 LEU A 45 -36.587 -5.948 -17.487 1.00 1.41 H new ATOM 0 HB3 LEU A 45 -37.066 -7.621 -17.690 1.00 1.41 H new ATOM 0 HG LEU A 45 -39.090 -5.621 -16.726 1.00 64.22 H new ATOM 0 HD11 LEU A 45 -39.691 -5.131 -19.064 1.00 13.44 H new ATOM 0 HD12 LEU A 45 -38.051 -4.562 -18.671 1.00 13.44 H new ATOM 0 HD13 LEU A 45 -38.273 -6.053 -19.617 1.00 13.44 H new ATOM 0 HD21 LEU A 45 -40.625 -7.120 -17.940 1.00 10.30 H new ATOM 0 HD22 LEU A 45 -39.242 -8.117 -18.449 1.00 10.30 H new ATOM 0 HD23 LEU A 45 -39.668 -8.000 -16.725 1.00 10.30 H new ATOM 733 N MET A 46 -38.756 -8.512 -14.925 1.00 4.55 N ATOM 734 CA MET A 46 -39.301 -9.811 -14.552 1.00 74.41 C ATOM 735 C MET A 46 -40.809 -9.852 -14.779 1.00 34.23 C ATOM 736 O MET A 46 -41.444 -8.819 -14.982 1.00 73.12 O ATOM 737 CB MET A 46 -38.985 -10.121 -13.088 1.00 33.15 C ATOM 738 CG MET A 46 -38.892 -11.608 -12.787 1.00 15.52 C ATOM 739 SD MET A 46 -38.103 -11.948 -11.201 1.00 51.24 S ATOM 740 CE MET A 46 -37.044 -13.325 -11.638 1.00 62.34 C ATOM 0 H MET A 46 -39.426 -7.744 -14.881 1.00 4.55 H new ATOM 0 HA MET A 46 -38.835 -10.567 -15.183 1.00 74.41 H new ATOM 0 HB2 MET A 46 -38.042 -9.645 -12.820 1.00 33.15 H new ATOM 0 HB3 MET A 46 -39.756 -9.679 -12.457 1.00 33.15 H new ATOM 0 HG2 MET A 46 -39.893 -12.039 -12.790 1.00 15.52 H new ATOM 0 HG3 MET A 46 -38.331 -12.101 -13.581 1.00 15.52 H new ATOM 0 HE1 MET A 46 -36.488 -13.650 -10.758 1.00 62.34 H new ATOM 0 HE2 MET A 46 -37.653 -14.150 -12.007 1.00 62.34 H new ATOM 0 HE3 MET A 46 -36.345 -13.014 -12.415 1.00 62.34 H new ATOM 750 N ASN A 47 -41.377 -11.055 -14.742 1.00 45.32 N ATOM 751 CA ASN A 47 -42.810 -11.229 -14.945 1.00 34.25 C ATOM 752 C ASN A 47 -43.471 -11.800 -13.694 1.00 21.35 C ATOM 753 O ASN A 47 -44.493 -11.293 -13.233 1.00 10.44 O ATOM 754 CB ASN A 47 -43.068 -12.152 -16.137 1.00 55.02 C ATOM 755 CG ASN A 47 -42.186 -13.385 -16.117 1.00 62.32 C ATOM 756 OD1 ASN A 47 -42.524 -14.393 -15.496 1.00 62.25 O ATOM 757 ND2 ASN A 47 -41.049 -13.309 -16.797 1.00 65.51 N ATOM 0 H ASN A 47 -40.866 -11.922 -14.573 1.00 45.32 H new ATOM 0 HA ASN A 47 -43.244 -10.251 -15.150 1.00 34.25 H new ATOM 0 HB2 ASN A 47 -44.114 -12.457 -16.136 1.00 55.02 H new ATOM 0 HB3 ASN A 47 -42.897 -11.602 -17.062 1.00 55.02 H new ATOM 0 HD21 ASN A 47 -40.414 -14.107 -16.820 1.00 65.51 H new ATOM 0 HD22 ASN A 47 -40.810 -12.453 -17.297 1.00 65.51 H new ATOM 764 N TRP A 48 -42.879 -12.857 -13.149 1.00 73.43 N ATOM 765 CA TRP A 48 -43.409 -13.497 -11.951 1.00 51.00 C ATOM 766 C TRP A 48 -43.357 -12.548 -10.758 1.00 23.32 C ATOM 767 O TRP A 48 -42.281 -12.237 -10.246 1.00 2.04 O ATOM 768 CB TRP A 48 -42.625 -14.772 -11.638 1.00 25.30 C ATOM 769 CG TRP A 48 -43.417 -15.784 -10.866 1.00 41.14 C ATOM 770 CD1 TRP A 48 -43.214 -16.170 -9.572 1.00 52.34 C ATOM 771 CD2 TRP A 48 -44.537 -16.539 -11.342 1.00 11.22 C ATOM 772 NE1 TRP A 48 -44.141 -17.120 -9.215 1.00 3.44 N ATOM 773 CE2 TRP A 48 -44.964 -17.362 -10.281 1.00 65.01 C ATOM 774 CE3 TRP A 48 -45.222 -16.597 -12.559 1.00 35.03 C ATOM 775 CZ2 TRP A 48 -46.043 -18.233 -10.404 1.00 61.34 C ATOM 776 CZ3 TRP A 48 -46.293 -17.463 -12.679 1.00 22.44 C ATOM 777 CH2 TRP A 48 -46.696 -18.271 -11.607 1.00 25.11 C ATOM 0 H TRP A 48 -42.032 -13.289 -13.518 1.00 73.43 H new ATOM 0 HA TRP A 48 -44.451 -13.757 -12.140 1.00 51.00 H new ATOM 0 HB2 TRP A 48 -42.288 -15.221 -12.572 1.00 25.30 H new ATOM 0 HB3 TRP A 48 -41.732 -14.510 -11.070 1.00 25.30 H new ATOM 0 HD1 TRP A 48 -42.440 -15.786 -8.925 1.00 52.34 H new ATOM 0 HE1 TRP A 48 -44.205 -17.572 -8.303 1.00 3.44 H new ATOM 0 HE3 TRP A 48 -44.920 -15.977 -13.390 1.00 35.03 H new ATOM 0 HZ2 TRP A 48 -46.354 -18.857 -9.579 1.00 61.34 H new ATOM 0 HZ3 TRP A 48 -46.829 -17.518 -13.615 1.00 22.44 H new ATOM 0 HH2 TRP A 48 -47.538 -18.936 -11.732 1.00 25.11 H new ATOM 788 N THR A 49 -44.525 -12.090 -10.320 1.00 31.52 N ATOM 789 CA THR A 49 -44.611 -11.175 -9.189 1.00 34.24 C ATOM 790 C THR A 49 -43.953 -11.771 -7.949 1.00 14.24 C ATOM 791 O THR A 49 -44.156 -12.941 -7.627 1.00 75.01 O ATOM 792 CB THR A 49 -46.075 -10.825 -8.860 1.00 13.05 C ATOM 793 OG1 THR A 49 -46.832 -12.023 -8.654 1.00 22.34 O ATOM 794 CG2 THR A 49 -46.701 -10.011 -9.982 1.00 11.44 C ATOM 0 H THR A 49 -45.425 -12.338 -10.731 1.00 31.52 H new ATOM 0 HA THR A 49 -44.083 -10.266 -9.477 1.00 34.24 H new ATOM 0 HB THR A 49 -46.086 -10.228 -7.948 1.00 13.05 H new ATOM 0 HG1 THR A 49 -47.761 -11.791 -8.444 1.00 22.34 H new ATOM 0 HG21 THR A 49 -47.734 -9.776 -9.728 1.00 11.44 H new ATOM 0 HG22 THR A 49 -46.141 -9.086 -10.117 1.00 11.44 H new ATOM 0 HG23 THR A 49 -46.677 -10.588 -10.907 1.00 11.44 H new ATOM 802 N GLY A 50 -43.162 -10.957 -7.256 1.00 52.30 N ATOM 803 CA GLY A 50 -42.487 -11.421 -6.059 1.00 32.25 C ATOM 804 C GLY A 50 -43.454 -11.906 -4.997 1.00 52.12 C ATOM 805 O GLY A 50 -44.609 -11.480 -4.959 1.00 63.44 O ATOM 0 H GLY A 50 -42.977 -9.985 -7.503 1.00 52.30 H new ATOM 0 HA2 GLY A 50 -41.805 -12.230 -6.321 1.00 32.25 H new ATOM 0 HA3 GLY A 50 -41.881 -10.612 -5.651 1.00 32.25 H new ATOM 809 N SER A 51 -42.984 -12.801 -4.133 1.00 61.41 N ATOM 810 CA SER A 51 -43.818 -13.348 -3.070 1.00 72.35 C ATOM 811 C SER A 51 -44.183 -12.269 -2.055 1.00 43.14 C ATOM 812 O SER A 51 -45.336 -12.157 -1.639 1.00 20.03 O ATOM 813 CB SER A 51 -43.096 -14.501 -2.369 1.00 3.42 C ATOM 814 OG SER A 51 -43.708 -14.805 -1.127 1.00 51.02 O ATOM 0 H SER A 51 -42.030 -13.162 -4.149 1.00 61.41 H new ATOM 0 HA SER A 51 -44.737 -13.724 -3.520 1.00 72.35 H new ATOM 0 HB2 SER A 51 -43.106 -15.383 -3.009 1.00 3.42 H new ATOM 0 HB3 SER A 51 -42.051 -14.236 -2.208 1.00 3.42 H new ATOM 0 HG SER A 51 -43.230 -15.546 -0.699 1.00 51.02 H new ATOM 820 N HIS A 52 -43.191 -11.475 -1.663 1.00 14.03 N ATOM 821 CA HIS A 52 -43.407 -10.404 -0.697 1.00 44.12 C ATOM 822 C HIS A 52 -43.140 -9.041 -1.330 1.00 2.30 C ATOM 823 O HIS A 52 -42.786 -8.085 -0.641 1.00 11.53 O ATOM 824 CB HIS A 52 -42.504 -10.598 0.522 1.00 53.11 C ATOM 825 CG HIS A 52 -43.041 -11.584 1.514 1.00 54.31 C ATOM 826 ND1 HIS A 52 -43.718 -11.209 2.656 1.00 1.02 N ATOM 827 CD2 HIS A 52 -43.001 -12.936 1.528 1.00 52.11 C ATOM 828 CE1 HIS A 52 -44.068 -12.289 3.330 1.00 35.35 C ATOM 829 NE2 HIS A 52 -43.645 -13.351 2.668 1.00 51.11 N ATOM 0 H HIS A 52 -42.231 -11.553 -1.999 1.00 14.03 H new ATOM 0 HA HIS A 52 -44.449 -10.440 -0.378 1.00 44.12 H new ATOM 0 HB2 HIS A 52 -41.522 -10.930 0.187 1.00 53.11 H new ATOM 0 HB3 HIS A 52 -42.364 -9.637 1.017 1.00 53.11 H new ATOM 0 HD2 HIS A 52 -42.547 -13.571 0.782 1.00 52.11 H new ATOM 0 HE1 HIS A 52 -44.609 -12.302 4.265 1.00 35.35 H new ATOM 0 HE2 HIS A 52 -43.775 -14.321 2.956 1.00 51.11 H new ATOM 837 N ASP A 53 -43.312 -8.961 -2.645 1.00 23.32 N ATOM 838 CA ASP A 53 -43.091 -7.716 -3.370 1.00 42.42 C ATOM 839 C ASP A 53 -41.714 -7.139 -3.053 1.00 73.41 C ATOM 840 O ASP A 53 -41.526 -5.922 -3.039 1.00 22.42 O ATOM 841 CB ASP A 53 -44.176 -6.697 -3.021 1.00 11.50 C ATOM 842 CG ASP A 53 -45.543 -7.109 -3.532 1.00 55.42 C ATOM 843 OD1 ASP A 53 -46.128 -8.055 -2.964 1.00 51.12 O ATOM 844 OD2 ASP A 53 -46.028 -6.484 -4.498 1.00 12.24 O ATOM 0 H ASP A 53 -43.604 -9.744 -3.230 1.00 23.32 H new ATOM 0 HA ASP A 53 -43.138 -7.934 -4.437 1.00 42.42 H new ATOM 0 HB2 ASP A 53 -44.218 -6.572 -1.939 1.00 11.50 H new ATOM 0 HB3 ASP A 53 -43.910 -5.728 -3.444 1.00 11.50 H new ATOM 849 N THR A 54 -40.753 -8.022 -2.799 1.00 3.14 N ATOM 850 CA THR A 54 -39.395 -7.601 -2.480 1.00 25.54 C ATOM 851 C THR A 54 -38.392 -8.187 -3.468 1.00 4.31 C ATOM 852 O THR A 54 -38.180 -9.399 -3.511 1.00 55.10 O ATOM 853 CB THR A 54 -38.996 -8.023 -1.053 1.00 31.43 C ATOM 854 OG1 THR A 54 -39.182 -9.434 -0.889 1.00 44.13 O ATOM 855 CG2 THR A 54 -39.822 -7.274 -0.017 1.00 63.43 C ATOM 0 H THR A 54 -40.890 -9.033 -2.808 1.00 3.14 H new ATOM 0 HA THR A 54 -39.377 -6.513 -2.548 1.00 25.54 H new ATOM 0 HB THR A 54 -37.945 -7.776 -0.905 1.00 31.43 H new ATOM 0 HG1 THR A 54 -38.867 -9.901 -1.691 1.00 44.13 H new ATOM 0 HG21 THR A 54 -39.523 -7.588 0.983 1.00 63.43 H new ATOM 0 HG22 THR A 54 -39.656 -6.202 -0.125 1.00 63.43 H new ATOM 0 HG23 THR A 54 -40.879 -7.495 -0.166 1.00 63.43 H new ATOM 863 N LYS A 55 -37.775 -7.317 -4.262 1.00 34.01 N ATOM 864 CA LYS A 55 -36.791 -7.746 -5.250 1.00 35.11 C ATOM 865 C LYS A 55 -35.416 -7.166 -4.937 1.00 14.52 C ATOM 866 O LYS A 55 -35.028 -6.136 -5.488 1.00 31.33 O ATOM 867 CB LYS A 55 -37.230 -7.321 -6.653 1.00 3.40 C ATOM 868 CG LYS A 55 -36.554 -8.106 -7.765 1.00 51.20 C ATOM 869 CD LYS A 55 -36.852 -7.508 -9.129 1.00 53.33 C ATOM 870 CE LYS A 55 -38.131 -8.080 -9.722 1.00 4.03 C ATOM 871 NZ LYS A 55 -39.339 -7.361 -9.230 1.00 71.54 N ATOM 0 H LYS A 55 -37.939 -6.311 -4.240 1.00 34.01 H new ATOM 0 HA LYS A 55 -36.723 -8.833 -5.211 1.00 35.11 H new ATOM 0 HB2 LYS A 55 -38.310 -7.442 -6.739 1.00 3.40 H new ATOM 0 HB3 LYS A 55 -37.016 -6.261 -6.786 1.00 3.40 H new ATOM 0 HG2 LYS A 55 -35.477 -8.119 -7.600 1.00 51.20 H new ATOM 0 HG3 LYS A 55 -36.893 -9.142 -7.739 1.00 51.20 H new ATOM 0 HD2 LYS A 55 -36.943 -6.425 -9.041 1.00 53.33 H new ATOM 0 HD3 LYS A 55 -36.018 -7.704 -9.803 1.00 53.33 H new ATOM 0 HE2 LYS A 55 -38.088 -8.016 -10.809 1.00 4.03 H new ATOM 0 HE3 LYS A 55 -38.208 -9.137 -9.468 1.00 4.03 H new ATOM 0 HZ1 LYS A 55 -40.074 -7.373 -9.966 1.00 71.54 H new ATOM 0 HZ2 LYS A 55 -39.698 -7.831 -8.374 1.00 71.54 H new ATOM 0 HZ3 LYS A 55 -39.090 -6.376 -9.006 1.00 71.54 H new ATOM 885 N GLN A 56 -34.686 -7.832 -4.050 1.00 30.53 N ATOM 886 CA GLN A 56 -33.353 -7.383 -3.665 1.00 41.43 C ATOM 887 C GLN A 56 -32.303 -8.434 -4.005 1.00 65.54 C ATOM 888 O GLN A 56 -31.581 -8.909 -3.131 1.00 4.23 O ATOM 889 CB GLN A 56 -33.310 -7.069 -2.168 1.00 42.24 C ATOM 890 CG GLN A 56 -33.874 -8.180 -1.297 1.00 51.12 C ATOM 891 CD GLN A 56 -33.333 -8.142 0.118 1.00 31.23 C ATOM 892 OE1 GLN A 56 -34.022 -7.722 1.048 1.00 51.42 O ATOM 893 NE2 GLN A 56 -32.093 -8.585 0.290 1.00 0.24 N ATOM 0 H GLN A 56 -34.995 -8.685 -3.584 1.00 30.53 H new ATOM 0 HA GLN A 56 -33.128 -6.477 -4.227 1.00 41.43 H new ATOM 0 HB2 GLN A 56 -32.278 -6.877 -1.875 1.00 42.24 H new ATOM 0 HB3 GLN A 56 -33.870 -6.153 -1.981 1.00 42.24 H new ATOM 0 HG2 GLN A 56 -34.961 -8.099 -1.269 1.00 51.12 H new ATOM 0 HG3 GLN A 56 -33.638 -9.145 -1.747 1.00 51.12 H new ATOM 0 HE21 GLN A 56 -31.557 -8.924 -0.509 1.00 0.24 H new ATOM 0 HE22 GLN A 56 -31.676 -8.586 1.221 1.00 0.24 H new ATOM 902 N GLN A 57 -32.225 -8.793 -5.283 1.00 64.24 N ATOM 903 CA GLN A 57 -31.263 -9.790 -5.740 1.00 15.41 C ATOM 904 C GLN A 57 -29.995 -9.123 -6.261 1.00 33.03 C ATOM 905 O GLN A 57 -30.055 -8.183 -7.053 1.00 33.15 O ATOM 906 CB GLN A 57 -31.881 -10.663 -6.832 1.00 73.11 C ATOM 907 CG GLN A 57 -30.855 -11.406 -7.671 1.00 23.44 C ATOM 908 CD GLN A 57 -31.302 -12.809 -8.034 1.00 62.12 C ATOM 909 OE1 GLN A 57 -31.480 -13.662 -7.163 1.00 42.43 O ATOM 910 NE2 GLN A 57 -31.487 -13.056 -9.325 1.00 44.33 N ATOM 0 H GLN A 57 -32.816 -8.408 -6.020 1.00 64.24 H new ATOM 0 HA GLN A 57 -30.998 -10.419 -4.890 1.00 15.41 H new ATOM 0 HB2 GLN A 57 -32.553 -11.387 -6.370 1.00 73.11 H new ATOM 0 HB3 GLN A 57 -32.488 -10.037 -7.486 1.00 73.11 H new ATOM 0 HG2 GLN A 57 -30.662 -10.843 -8.584 1.00 23.44 H new ATOM 0 HG3 GLN A 57 -29.914 -11.459 -7.124 1.00 23.44 H new ATOM 0 HE21 GLN A 57 -31.328 -12.320 -10.013 1.00 44.33 H new ATOM 0 HE22 GLN A 57 -31.788 -13.982 -9.629 1.00 44.33 H new ATOM 919 N VAL A 58 -28.845 -9.617 -5.811 1.00 55.03 N ATOM 920 CA VAL A 58 -27.562 -9.071 -6.233 1.00 45.23 C ATOM 921 C VAL A 58 -26.763 -10.095 -7.032 1.00 14.23 C ATOM 922 O VAL A 58 -25.931 -9.736 -7.865 1.00 41.43 O ATOM 923 CB VAL A 58 -26.723 -8.610 -5.025 1.00 53.05 C ATOM 924 CG1 VAL A 58 -27.280 -7.318 -4.450 1.00 45.44 C ATOM 925 CG2 VAL A 58 -26.676 -9.699 -3.964 1.00 73.52 C ATOM 0 H VAL A 58 -28.777 -10.394 -5.154 1.00 55.03 H new ATOM 0 HA VAL A 58 -27.778 -8.210 -6.866 1.00 45.23 H new ATOM 0 HB VAL A 58 -25.705 -8.419 -5.363 1.00 53.05 H new ATOM 0 HG11 VAL A 58 -26.675 -7.008 -3.598 1.00 45.44 H new ATOM 0 HG12 VAL A 58 -27.257 -6.540 -5.213 1.00 45.44 H new ATOM 0 HG13 VAL A 58 -28.308 -7.478 -4.126 1.00 45.44 H new ATOM 0 HG21 VAL A 58 -26.080 -9.357 -3.118 1.00 73.52 H new ATOM 0 HG22 VAL A 58 -27.688 -9.923 -3.628 1.00 73.52 H new ATOM 0 HG23 VAL A 58 -26.226 -10.598 -4.385 1.00 73.52 H new ATOM 935 N CYS A 59 -27.023 -11.371 -6.771 1.00 24.12 N ATOM 936 CA CYS A 59 -26.327 -12.449 -7.465 1.00 75.34 C ATOM 937 C CYS A 59 -26.996 -12.755 -8.802 1.00 51.24 C ATOM 938 O CYS A 59 -28.220 -12.690 -8.926 1.00 62.30 O ATOM 939 CB CYS A 59 -26.299 -13.708 -6.597 1.00 0.41 C ATOM 940 SG CYS A 59 -25.731 -13.424 -4.904 1.00 54.22 S ATOM 0 H CYS A 59 -27.710 -11.684 -6.085 1.00 24.12 H new ATOM 0 HA CYS A 59 -25.304 -12.124 -7.656 1.00 75.34 H new ATOM 0 HB2 CYS A 59 -27.300 -14.137 -6.566 1.00 0.41 H new ATOM 0 HB3 CYS A 59 -25.650 -14.447 -7.068 1.00 0.41 H new ATOM 0 HG CYS A 59 -24.725 -12.600 -4.916 1.00 54.22 H new ATOM 946 N LEU A 60 -26.185 -13.087 -9.801 1.00 42.31 N ATOM 947 CA LEU A 60 -26.697 -13.400 -11.131 1.00 11.23 C ATOM 948 C LEU A 60 -26.391 -14.847 -11.504 1.00 60.01 C ATOM 949 O LEU A 60 -25.236 -15.273 -11.480 1.00 72.54 O ATOM 950 CB LEU A 60 -26.091 -12.454 -12.169 1.00 12.42 C ATOM 951 CG LEU A 60 -26.190 -12.905 -13.626 1.00 45.11 C ATOM 952 CD1 LEU A 60 -27.640 -13.149 -14.012 1.00 40.12 C ATOM 953 CD2 LEU A 60 -25.557 -11.873 -14.548 1.00 4.13 C ATOM 0 H LEU A 60 -25.170 -13.146 -9.715 1.00 42.31 H new ATOM 0 HA LEU A 60 -27.779 -13.268 -11.118 1.00 11.23 H new ATOM 0 HB2 LEU A 60 -26.579 -11.484 -12.076 1.00 12.42 H new ATOM 0 HB3 LEU A 60 -25.039 -12.306 -11.926 1.00 12.42 H new ATOM 0 HG LEU A 60 -25.644 -13.842 -13.734 1.00 45.11 H new ATOM 0 HD11 LEU A 60 -27.691 -13.469 -15.053 1.00 40.12 H new ATOM 0 HD12 LEU A 60 -28.061 -13.925 -13.373 1.00 40.12 H new ATOM 0 HD13 LEU A 60 -28.209 -12.228 -13.888 1.00 40.12 H new ATOM 0 HD21 LEU A 60 -25.637 -12.211 -15.581 1.00 4.13 H new ATOM 0 HD22 LEU A 60 -26.074 -10.920 -14.437 1.00 4.13 H new ATOM 0 HD23 LEU A 60 -24.506 -11.748 -14.287 1.00 4.13 H new ATOM 965 N SER A 61 -27.433 -15.596 -11.851 1.00 23.03 N ATOM 966 CA SER A 61 -27.275 -16.996 -12.229 1.00 53.32 C ATOM 967 C SER A 61 -27.147 -17.139 -13.742 1.00 4.02 C ATOM 968 O SER A 61 -27.708 -16.350 -14.502 1.00 71.14 O ATOM 969 CB SER A 61 -28.464 -17.818 -11.727 1.00 43.14 C ATOM 970 OG SER A 61 -29.669 -17.406 -12.350 1.00 70.10 O ATOM 0 H SER A 61 -28.395 -15.257 -11.878 1.00 23.03 H new ATOM 0 HA SER A 61 -26.361 -17.371 -11.767 1.00 53.32 H new ATOM 0 HB2 SER A 61 -28.290 -18.875 -11.928 1.00 43.14 H new ATOM 0 HB3 SER A 61 -28.554 -17.710 -10.646 1.00 43.14 H new ATOM 0 HG SER A 61 -30.394 -17.405 -11.691 1.00 70.10 H new ATOM 976 N PHE A 62 -26.402 -18.152 -14.173 1.00 72.22 N ATOM 977 CA PHE A 62 -26.198 -18.400 -15.596 1.00 3.44 C ATOM 978 C PHE A 62 -26.350 -19.883 -15.916 1.00 72.52 C ATOM 979 O PHE A 62 -26.176 -20.740 -15.049 1.00 35.30 O ATOM 980 CB PHE A 62 -24.812 -17.913 -16.025 1.00 50.41 C ATOM 981 CG PHE A 62 -24.806 -16.503 -16.541 1.00 40.25 C ATOM 982 CD1 PHE A 62 -25.397 -16.192 -17.755 1.00 52.30 C ATOM 983 CD2 PHE A 62 -24.208 -15.487 -15.812 1.00 62.21 C ATOM 984 CE1 PHE A 62 -25.393 -14.895 -18.233 1.00 55.41 C ATOM 985 CE2 PHE A 62 -24.201 -14.188 -16.285 1.00 1.10 C ATOM 986 CZ PHE A 62 -24.794 -13.892 -17.497 1.00 43.42 C ATOM 0 H PHE A 62 -25.930 -18.814 -13.558 1.00 72.22 H new ATOM 0 HA PHE A 62 -26.958 -17.848 -16.149 1.00 3.44 H new ATOM 0 HB2 PHE A 62 -24.132 -17.984 -15.176 1.00 50.41 H new ATOM 0 HB3 PHE A 62 -24.426 -18.576 -16.799 1.00 50.41 H new ATOM 0 HD1 PHE A 62 -25.867 -16.973 -18.335 1.00 52.30 H new ATOM 0 HD2 PHE A 62 -23.742 -15.713 -14.864 1.00 62.21 H new ATOM 0 HE1 PHE A 62 -25.858 -14.666 -19.181 1.00 55.41 H new ATOM 0 HE2 PHE A 62 -23.732 -13.405 -15.707 1.00 1.10 H new ATOM 0 HZ PHE A 62 -24.789 -12.878 -17.868 1.00 43.42 H new ATOM 996 N THR A 63 -26.676 -20.181 -17.171 1.00 13.24 N ATOM 997 CA THR A 63 -26.854 -21.560 -17.608 1.00 2.54 C ATOM 998 C THR A 63 -25.561 -22.355 -17.461 1.00 43.55 C ATOM 999 O THR A 63 -25.544 -23.427 -16.857 1.00 43.13 O ATOM 1000 CB THR A 63 -27.322 -21.629 -19.074 1.00 34.05 C ATOM 1001 OG1 THR A 63 -28.054 -20.445 -19.410 1.00 62.14 O ATOM 1002 CG2 THR A 63 -28.195 -22.852 -19.306 1.00 32.31 C ATOM 0 H THR A 63 -26.822 -19.485 -17.902 1.00 13.24 H new ATOM 0 HA THR A 63 -27.621 -21.997 -16.969 1.00 2.54 H new ATOM 0 HB THR A 63 -26.440 -21.705 -19.711 1.00 34.05 H new ATOM 0 HG1 THR A 63 -28.347 -20.495 -20.344 1.00 62.14 H new ATOM 0 HG21 THR A 63 -28.513 -22.879 -20.348 1.00 32.31 H new ATOM 0 HG22 THR A 63 -27.627 -23.753 -19.076 1.00 32.31 H new ATOM 0 HG23 THR A 63 -29.072 -22.801 -18.660 1.00 32.31 H new ATOM 1010 N THR A 64 -24.478 -21.821 -18.018 1.00 1.31 N ATOM 1011 CA THR A 64 -23.180 -22.480 -17.950 1.00 1.40 C ATOM 1012 C THR A 64 -22.053 -21.462 -17.816 1.00 71.04 C ATOM 1013 O THR A 64 -22.287 -20.255 -17.849 1.00 53.32 O ATOM 1014 CB THR A 64 -22.926 -23.350 -19.195 1.00 62.34 C ATOM 1015 OG1 THR A 64 -22.993 -22.546 -20.377 1.00 71.13 O ATOM 1016 CG2 THR A 64 -23.944 -24.478 -19.284 1.00 3.30 C ATOM 0 H THR A 64 -24.475 -20.934 -18.521 1.00 1.31 H new ATOM 0 HA THR A 64 -23.195 -23.119 -17.067 1.00 1.40 H new ATOM 0 HB THR A 64 -21.931 -23.786 -19.109 1.00 62.34 H new ATOM 0 HG1 THR A 64 -22.829 -23.107 -21.164 1.00 71.13 H new ATOM 0 HG21 THR A 64 -23.745 -25.079 -20.171 1.00 3.30 H new ATOM 0 HG22 THR A 64 -23.870 -25.106 -18.396 1.00 3.30 H new ATOM 0 HG23 THR A 64 -24.948 -24.058 -19.348 1.00 3.30 H new ATOM 1024 N ARG A 65 -20.829 -21.958 -17.668 1.00 13.20 N ATOM 1025 CA ARG A 65 -19.665 -21.092 -17.529 1.00 4.41 C ATOM 1026 C ARG A 65 -19.420 -20.302 -18.812 1.00 45.41 C ATOM 1027 O ARG A 65 -18.965 -19.159 -18.770 1.00 54.12 O ATOM 1028 CB ARG A 65 -18.425 -21.917 -17.181 1.00 61.44 C ATOM 1029 CG ARG A 65 -18.130 -23.024 -18.181 1.00 40.44 C ATOM 1030 CD ARG A 65 -17.041 -22.613 -19.160 1.00 75.32 C ATOM 1031 NE ARG A 65 -16.249 -23.755 -19.609 1.00 31.31 N ATOM 1032 CZ ARG A 65 -15.057 -23.642 -20.183 1.00 20.13 C ATOM 1033 NH1 ARG A 65 -14.521 -22.445 -20.377 1.00 53.10 N ATOM 1034 NH2 ARG A 65 -14.396 -24.729 -20.563 1.00 72.23 N ATOM 0 H ARG A 65 -20.618 -22.956 -17.641 1.00 13.20 H new ATOM 0 HA ARG A 65 -19.862 -20.388 -16.720 1.00 4.41 H new ATOM 0 HB2 ARG A 65 -17.562 -21.253 -17.121 1.00 61.44 H new ATOM 0 HB3 ARG A 65 -18.557 -22.357 -16.193 1.00 61.44 H new ATOM 0 HG2 ARG A 65 -17.822 -23.924 -17.649 1.00 40.44 H new ATOM 0 HG3 ARG A 65 -19.039 -23.273 -18.729 1.00 40.44 H new ATOM 0 HD2 ARG A 65 -17.495 -22.125 -20.023 1.00 75.32 H new ATOM 0 HD3 ARG A 65 -16.386 -21.881 -18.687 1.00 75.32 H new ATOM 0 HE ARG A 65 -16.632 -24.691 -19.474 1.00 31.31 H new ATOM 0 HH11 ARG A 65 -15.024 -21.607 -20.085 1.00 53.10 H new ATOM 0 HH12 ARG A 65 -13.605 -22.362 -20.818 1.00 53.10 H new ATOM 0 HH21 ARG A 65 -14.804 -25.652 -20.414 1.00 72.23 H new ATOM 0 HH22 ARG A 65 -13.480 -24.641 -21.004 1.00 72.23 H new ATOM 1048 N GLU A 66 -19.722 -20.921 -19.949 1.00 25.20 N ATOM 1049 CA GLU A 66 -19.533 -20.276 -21.243 1.00 3.54 C ATOM 1050 C GLU A 66 -20.155 -18.882 -21.253 1.00 1.23 C ATOM 1051 O GLU A 66 -19.519 -17.908 -21.660 1.00 35.24 O ATOM 1052 CB GLU A 66 -20.145 -21.128 -22.357 1.00 4.52 C ATOM 1053 CG GLU A 66 -19.861 -20.598 -23.753 1.00 75.21 C ATOM 1054 CD GLU A 66 -20.840 -21.125 -24.786 1.00 1.14 C ATOM 1055 OE1 GLU A 66 -22.004 -20.674 -24.785 1.00 43.43 O ATOM 1056 OE2 GLU A 66 -20.439 -21.988 -25.595 1.00 34.44 O ATOM 0 H GLU A 66 -20.098 -21.868 -20.000 1.00 25.20 H new ATOM 0 HA GLU A 66 -18.462 -20.178 -21.418 1.00 3.54 H new ATOM 0 HB2 GLU A 66 -19.761 -22.145 -22.278 1.00 4.52 H new ATOM 0 HB3 GLU A 66 -21.224 -21.183 -22.210 1.00 4.52 H new ATOM 0 HG2 GLU A 66 -19.903 -19.509 -23.740 1.00 75.21 H new ATOM 0 HG3 GLU A 66 -18.847 -20.874 -24.044 1.00 75.21 H new ATOM 1063 N LEU A 67 -21.401 -18.794 -20.801 1.00 22.12 N ATOM 1064 CA LEU A 67 -22.111 -17.520 -20.757 1.00 61.12 C ATOM 1065 C LEU A 67 -21.463 -16.571 -19.755 1.00 42.51 C ATOM 1066 O LEU A 67 -21.299 -15.381 -20.029 1.00 12.10 O ATOM 1067 CB LEU A 67 -23.578 -17.744 -20.390 1.00 33.43 C ATOM 1068 CG LEU A 67 -24.598 -17.458 -21.493 1.00 32.23 C ATOM 1069 CD1 LEU A 67 -24.652 -18.612 -22.482 1.00 72.23 C ATOM 1070 CD2 LEU A 67 -25.973 -17.200 -20.894 1.00 31.51 C ATOM 0 H LEU A 67 -21.941 -19.589 -20.460 1.00 22.12 H new ATOM 0 HA LEU A 67 -22.056 -17.067 -21.747 1.00 61.12 H new ATOM 0 HB2 LEU A 67 -23.698 -18.780 -20.072 1.00 33.43 H new ATOM 0 HB3 LEU A 67 -23.817 -17.117 -19.531 1.00 33.43 H new ATOM 0 HG LEU A 67 -24.284 -16.562 -22.029 1.00 32.23 H new ATOM 0 HD11 LEU A 67 -25.383 -18.391 -23.260 1.00 72.23 H new ATOM 0 HD12 LEU A 67 -23.670 -18.749 -22.935 1.00 72.23 H new ATOM 0 HD13 LEU A 67 -24.941 -19.525 -21.961 1.00 72.23 H new ATOM 0 HD21 LEU A 67 -26.686 -16.998 -21.693 1.00 31.51 H new ATOM 0 HD22 LEU A 67 -26.296 -18.077 -20.333 1.00 31.51 H new ATOM 0 HD23 LEU A 67 -25.923 -16.340 -20.226 1.00 31.51 H new ATOM 1082 N ALA A 68 -21.094 -17.104 -18.595 1.00 51.42 N ATOM 1083 CA ALA A 68 -20.460 -16.303 -17.554 1.00 62.44 C ATOM 1084 C ALA A 68 -19.231 -15.578 -18.092 1.00 14.24 C ATOM 1085 O ALA A 68 -19.080 -14.371 -17.903 1.00 2.10 O ATOM 1086 CB ALA A 68 -20.082 -17.182 -16.371 1.00 73.10 C ATOM 0 H ALA A 68 -21.223 -18.086 -18.352 1.00 51.42 H new ATOM 0 HA ALA A 68 -21.175 -15.551 -17.220 1.00 62.44 H new ATOM 0 HB1 ALA A 68 -19.610 -16.572 -15.601 1.00 73.10 H new ATOM 0 HB2 ALA A 68 -20.979 -17.650 -15.964 1.00 73.10 H new ATOM 0 HB3 ALA A 68 -19.387 -17.955 -16.699 1.00 73.10 H new ATOM 1092 N ILE A 69 -18.357 -16.322 -18.760 1.00 4.13 N ATOM 1093 CA ILE A 69 -17.141 -15.748 -19.324 1.00 21.00 C ATOM 1094 C ILE A 69 -17.446 -14.942 -20.582 1.00 43.00 C ATOM 1095 O ILE A 69 -16.809 -13.924 -20.849 1.00 11.30 O ATOM 1096 CB ILE A 69 -16.109 -16.839 -19.664 1.00 42.11 C ATOM 1097 CG1 ILE A 69 -15.663 -17.565 -18.392 1.00 63.13 C ATOM 1098 CG2 ILE A 69 -14.911 -16.232 -20.381 1.00 14.20 C ATOM 1099 CD1 ILE A 69 -16.116 -19.007 -18.330 1.00 42.13 C ATOM 0 H ILE A 69 -18.467 -17.323 -18.924 1.00 4.13 H new ATOM 0 HA ILE A 69 -16.722 -15.087 -18.565 1.00 21.00 H new ATOM 0 HB ILE A 69 -16.577 -17.565 -20.330 1.00 42.11 H new ATOM 0 HG12 ILE A 69 -14.576 -17.531 -18.326 1.00 63.13 H new ATOM 0 HG13 ILE A 69 -16.052 -17.033 -17.524 1.00 63.13 H new ATOM 0 HG21 ILE A 69 -14.191 -17.016 -20.614 1.00 14.20 H new ATOM 0 HG22 ILE A 69 -15.242 -15.757 -21.304 1.00 14.20 H new ATOM 0 HG23 ILE A 69 -14.441 -15.488 -19.738 1.00 14.20 H new ATOM 0 HD11 ILE A 69 -15.765 -19.459 -17.403 1.00 42.13 H new ATOM 0 HD12 ILE A 69 -17.205 -19.048 -18.364 1.00 42.13 H new ATOM 0 HD13 ILE A 69 -15.705 -19.554 -19.179 1.00 42.13 H new ATOM 1111 N ALA A 70 -18.425 -15.406 -21.351 1.00 70.05 N ATOM 1112 CA ALA A 70 -18.817 -14.726 -22.580 1.00 35.43 C ATOM 1113 C ALA A 70 -19.424 -13.359 -22.282 1.00 2.03 C ATOM 1114 O ALA A 70 -19.384 -12.456 -23.117 1.00 65.53 O ATOM 1115 CB ALA A 70 -19.801 -15.582 -23.365 1.00 42.32 C ATOM 0 H ALA A 70 -18.961 -16.249 -21.145 1.00 70.05 H new ATOM 0 HA ALA A 70 -17.922 -14.573 -23.183 1.00 35.43 H new ATOM 0 HB1 ALA A 70 -20.086 -15.063 -24.280 1.00 42.32 H new ATOM 0 HB2 ALA A 70 -19.334 -16.534 -23.618 1.00 42.32 H new ATOM 0 HB3 ALA A 70 -20.689 -15.763 -22.760 1.00 42.32 H new ATOM 1121 N TYR A 71 -19.985 -13.214 -21.086 1.00 4.03 N ATOM 1122 CA TYR A 71 -20.601 -11.957 -20.679 1.00 74.41 C ATOM 1123 C TYR A 71 -19.549 -10.967 -20.188 1.00 62.11 C ATOM 1124 O TYR A 71 -19.480 -9.833 -20.660 1.00 63.53 O ATOM 1125 CB TYR A 71 -21.636 -12.205 -19.580 1.00 63.24 C ATOM 1126 CG TYR A 71 -22.450 -10.981 -19.228 1.00 34.44 C ATOM 1127 CD1 TYR A 71 -22.902 -10.114 -20.216 1.00 24.24 C ATOM 1128 CD2 TYR A 71 -22.769 -10.691 -17.906 1.00 71.53 C ATOM 1129 CE1 TYR A 71 -23.645 -8.995 -19.898 1.00 51.42 C ATOM 1130 CE2 TYR A 71 -23.514 -9.575 -17.580 1.00 44.30 C ATOM 1131 CZ TYR A 71 -23.948 -8.729 -18.579 1.00 14.33 C ATOM 1132 OH TYR A 71 -24.690 -7.615 -18.258 1.00 61.14 O ATOM 0 H TYR A 71 -20.026 -13.951 -20.382 1.00 4.03 H new ATOM 0 HA TYR A 71 -21.099 -11.528 -21.549 1.00 74.41 H new ATOM 0 HB2 TYR A 71 -22.310 -13.000 -19.900 1.00 63.24 H new ATOM 0 HB3 TYR A 71 -21.125 -12.561 -18.685 1.00 63.24 H new ATOM 0 HD1 TYR A 71 -22.668 -10.319 -21.250 1.00 24.24 H new ATOM 0 HD2 TYR A 71 -22.428 -11.350 -17.121 1.00 71.53 H new ATOM 0 HE1 TYR A 71 -23.987 -8.331 -20.678 1.00 51.42 H new ATOM 0 HE2 TYR A 71 -23.756 -9.366 -16.548 1.00 44.30 H new ATOM 0 HH TYR A 71 -24.816 -7.574 -17.287 1.00 61.14 H new ATOM 1142 N ALA A 72 -18.731 -11.407 -19.237 1.00 43.21 N ATOM 1143 CA ALA A 72 -17.681 -10.562 -18.683 1.00 63.12 C ATOM 1144 C ALA A 72 -16.753 -10.049 -19.780 1.00 61.12 C ATOM 1145 O ALA A 72 -16.443 -8.858 -19.839 1.00 35.14 O ATOM 1146 CB ALA A 72 -16.887 -11.326 -17.634 1.00 72.12 C ATOM 0 H ALA A 72 -18.776 -12.343 -18.835 1.00 43.21 H new ATOM 0 HA ALA A 72 -18.154 -9.701 -18.210 1.00 63.12 H new ATOM 0 HB1 ALA A 72 -16.106 -10.683 -17.229 1.00 72.12 H new ATOM 0 HB2 ALA A 72 -17.553 -11.639 -16.830 1.00 72.12 H new ATOM 0 HB3 ALA A 72 -16.432 -12.205 -18.091 1.00 72.12 H new ATOM 1152 N VAL A 73 -16.312 -10.954 -20.648 1.00 72.44 N ATOM 1153 CA VAL A 73 -15.421 -10.593 -21.743 1.00 51.44 C ATOM 1154 C VAL A 73 -16.094 -9.615 -22.700 1.00 1.11 C ATOM 1155 O VAL A 73 -15.433 -8.773 -23.309 1.00 73.20 O ATOM 1156 CB VAL A 73 -14.969 -11.836 -22.532 1.00 23.33 C ATOM 1157 CG1 VAL A 73 -14.085 -11.433 -23.703 1.00 74.43 C ATOM 1158 CG2 VAL A 73 -14.244 -12.812 -21.618 1.00 23.00 C ATOM 0 H VAL A 73 -16.558 -11.943 -20.614 1.00 72.44 H new ATOM 0 HA VAL A 73 -14.548 -10.118 -21.296 1.00 51.44 H new ATOM 0 HB VAL A 73 -15.853 -12.334 -22.930 1.00 23.33 H new ATOM 0 HG11 VAL A 73 -13.775 -12.324 -24.249 1.00 74.43 H new ATOM 0 HG12 VAL A 73 -14.642 -10.775 -24.370 1.00 74.43 H new ATOM 0 HG13 VAL A 73 -13.204 -10.911 -23.331 1.00 74.43 H new ATOM 0 HG21 VAL A 73 -13.932 -13.684 -22.192 1.00 23.00 H new ATOM 0 HG22 VAL A 73 -13.367 -12.326 -21.190 1.00 23.00 H new ATOM 0 HG23 VAL A 73 -14.913 -13.125 -20.817 1.00 23.00 H new ATOM 1168 N ALA A 74 -17.411 -9.731 -22.826 1.00 42.04 N ATOM 1169 CA ALA A 74 -18.174 -8.855 -23.707 1.00 33.24 C ATOM 1170 C ALA A 74 -17.860 -7.389 -23.429 1.00 23.11 C ATOM 1171 O ALA A 74 -17.924 -6.548 -24.327 1.00 64.51 O ATOM 1172 CB ALA A 74 -19.665 -9.116 -23.549 1.00 32.21 C ATOM 0 H ALA A 74 -17.972 -10.423 -22.329 1.00 42.04 H new ATOM 0 HA ALA A 74 -17.885 -9.073 -24.735 1.00 33.24 H new ATOM 0 HB1 ALA A 74 -20.222 -8.455 -24.213 1.00 32.21 H new ATOM 0 HB2 ALA A 74 -19.882 -10.153 -23.804 1.00 32.21 H new ATOM 0 HB3 ALA A 74 -19.960 -8.927 -22.517 1.00 32.21 H new ATOM 1178 N HIS A 75 -17.521 -7.087 -22.180 1.00 2.14 N ATOM 1179 CA HIS A 75 -17.197 -5.721 -21.784 1.00 1.12 C ATOM 1180 C HIS A 75 -15.782 -5.641 -21.219 1.00 5.14 C ATOM 1181 O HIS A 75 -15.465 -4.746 -20.434 1.00 54.20 O ATOM 1182 CB HIS A 75 -18.201 -5.215 -20.750 1.00 54.21 C ATOM 1183 CG HIS A 75 -19.436 -4.619 -21.355 1.00 20.05 C ATOM 1184 ND1 HIS A 75 -19.835 -4.869 -22.651 1.00 22.22 N ATOM 1185 CD2 HIS A 75 -20.363 -3.782 -20.832 1.00 5.24 C ATOM 1186 CE1 HIS A 75 -20.952 -4.210 -22.900 1.00 2.44 C ATOM 1187 NE2 HIS A 75 -21.293 -3.543 -21.812 1.00 43.34 N ATOM 0 H HIS A 75 -17.463 -7.770 -21.424 1.00 2.14 H new ATOM 0 HA HIS A 75 -17.252 -5.089 -22.671 1.00 1.12 H new ATOM 0 HB2 HIS A 75 -18.488 -6.041 -20.099 1.00 54.21 H new ATOM 0 HB3 HIS A 75 -17.717 -4.467 -20.121 1.00 54.21 H new ATOM 0 HD2 HIS A 75 -20.369 -3.378 -19.830 1.00 5.24 H new ATOM 0 HE1 HIS A 75 -21.494 -4.215 -23.834 1.00 2.44 H new ATOM 0 HE2 HIS A 75 -22.115 -2.947 -21.716 1.00 43.34 H new ATOM 1195 N LYS A 76 -14.935 -6.582 -21.620 1.00 42.24 N ATOM 1196 CA LYS A 76 -13.553 -6.618 -21.155 1.00 13.14 C ATOM 1197 C LYS A 76 -13.491 -6.564 -19.632 1.00 14.35 C ATOM 1198 O LYS A 76 -12.776 -5.741 -19.060 1.00 11.21 O ATOM 1199 CB LYS A 76 -12.762 -5.452 -21.750 1.00 44.31 C ATOM 1200 CG LYS A 76 -12.315 -5.687 -23.183 1.00 32.43 C ATOM 1201 CD LYS A 76 -13.375 -5.244 -24.177 1.00 65.23 C ATOM 1202 CE LYS A 76 -13.343 -3.738 -24.391 1.00 1.02 C ATOM 1203 NZ LYS A 76 -12.231 -3.329 -25.293 1.00 54.33 N ATOM 0 H LYS A 76 -15.181 -7.331 -22.267 1.00 42.24 H new ATOM 0 HA LYS A 76 -13.108 -7.556 -21.487 1.00 13.14 H new ATOM 0 HB2 LYS A 76 -13.375 -4.552 -21.713 1.00 44.31 H new ATOM 0 HB3 LYS A 76 -11.885 -5.266 -21.131 1.00 44.31 H new ATOM 0 HG2 LYS A 76 -11.389 -5.143 -23.370 1.00 32.43 H new ATOM 0 HG3 LYS A 76 -12.098 -6.745 -23.329 1.00 32.43 H new ATOM 0 HD2 LYS A 76 -13.218 -5.751 -25.129 1.00 65.23 H new ATOM 0 HD3 LYS A 76 -14.360 -5.541 -23.817 1.00 65.23 H new ATOM 0 HE2 LYS A 76 -14.293 -3.411 -24.814 1.00 1.02 H new ATOM 0 HE3 LYS A 76 -13.233 -3.237 -23.429 1.00 1.02 H new ATOM 0 HZ1 LYS A 76 -12.274 -2.302 -25.454 1.00 54.33 H new ATOM 0 HZ2 LYS A 76 -11.320 -3.572 -24.854 1.00 54.33 H new ATOM 0 HZ3 LYS A 76 -12.321 -3.826 -26.202 1.00 54.33 H new ATOM 1217 N ILE A 77 -14.242 -7.446 -18.981 1.00 74.43 N ATOM 1218 CA ILE A 77 -14.270 -7.499 -17.525 1.00 41.02 C ATOM 1219 C ILE A 77 -13.462 -8.682 -17.004 1.00 11.24 C ATOM 1220 O ILE A 77 -13.522 -9.780 -17.556 1.00 33.41 O ATOM 1221 CB ILE A 77 -15.711 -7.601 -16.992 1.00 21.20 C ATOM 1222 CG1 ILE A 77 -16.550 -6.426 -17.499 1.00 33.43 C ATOM 1223 CG2 ILE A 77 -15.712 -7.643 -15.471 1.00 73.45 C ATOM 1224 CD1 ILE A 77 -18.034 -6.598 -17.264 1.00 60.22 C ATOM 0 H ILE A 77 -14.839 -8.134 -19.439 1.00 74.43 H new ATOM 0 HA ILE A 77 -13.825 -6.571 -17.167 1.00 41.02 H new ATOM 0 HB ILE A 77 -16.155 -8.526 -17.361 1.00 21.20 H new ATOM 0 HG12 ILE A 77 -16.216 -5.512 -17.007 1.00 33.43 H new ATOM 0 HG13 ILE A 77 -16.372 -6.297 -18.567 1.00 33.43 H new ATOM 0 HG21 ILE A 77 -16.738 -7.715 -15.110 1.00 73.45 H new ATOM 0 HG22 ILE A 77 -15.146 -8.510 -15.131 1.00 73.45 H new ATOM 0 HG23 ILE A 77 -15.253 -6.734 -15.082 1.00 73.45 H new ATOM 0 HD11 ILE A 77 -18.566 -5.728 -17.648 1.00 60.22 H new ATOM 0 HD12 ILE A 77 -18.383 -7.493 -17.779 1.00 60.22 H new ATOM 0 HD13 ILE A 77 -18.224 -6.697 -16.195 1.00 60.22 H new ATOM 1236 N ASP A 78 -12.708 -8.450 -15.934 1.00 25.53 N ATOM 1237 CA ASP A 78 -11.889 -9.499 -15.335 1.00 41.42 C ATOM 1238 C ASP A 78 -12.760 -10.529 -14.624 1.00 71.01 C ATOM 1239 O ASP A 78 -13.288 -10.270 -13.541 1.00 50.14 O ATOM 1240 CB ASP A 78 -10.888 -8.892 -14.350 1.00 22.13 C ATOM 1241 CG ASP A 78 -9.637 -8.380 -15.036 1.00 60.12 C ATOM 1242 OD1 ASP A 78 -9.216 -8.998 -16.036 1.00 3.11 O ATOM 1243 OD2 ASP A 78 -9.080 -7.362 -14.574 1.00 31.44 O ATOM 0 H ASP A 78 -12.647 -7.547 -15.464 1.00 25.53 H new ATOM 0 HA ASP A 78 -11.343 -10.001 -16.134 1.00 41.42 H new ATOM 0 HB2 ASP A 78 -11.364 -8.073 -13.811 1.00 22.13 H new ATOM 0 HB3 ASP A 78 -10.611 -9.642 -13.609 1.00 22.13 H new ATOM 1248 N TYR A 79 -12.908 -11.697 -15.239 1.00 70.12 N ATOM 1249 CA TYR A 79 -13.719 -12.765 -14.667 1.00 64.23 C ATOM 1250 C TYR A 79 -12.841 -13.806 -13.979 1.00 71.12 C ATOM 1251 O TYR A 79 -11.763 -14.148 -14.467 1.00 14.21 O ATOM 1252 CB TYR A 79 -14.562 -13.432 -15.756 1.00 35.13 C ATOM 1253 CG TYR A 79 -13.741 -14.140 -16.809 1.00 32.53 C ATOM 1254 CD1 TYR A 79 -13.260 -15.426 -16.594 1.00 32.40 C ATOM 1255 CD2 TYR A 79 -13.446 -13.524 -18.018 1.00 4.22 C ATOM 1256 CE1 TYR A 79 -12.509 -16.078 -17.553 1.00 45.25 C ATOM 1257 CE2 TYR A 79 -12.697 -14.167 -18.984 1.00 21.44 C ATOM 1258 CZ TYR A 79 -12.230 -15.443 -18.747 1.00 32.45 C ATOM 1259 OH TYR A 79 -11.482 -16.088 -19.706 1.00 1.14 O ATOM 0 H TYR A 79 -12.477 -11.928 -16.134 1.00 70.12 H new ATOM 0 HA TYR A 79 -14.382 -12.325 -13.922 1.00 64.23 H new ATOM 0 HB2 TYR A 79 -15.238 -14.150 -15.292 1.00 35.13 H new ATOM 0 HB3 TYR A 79 -15.182 -12.676 -16.238 1.00 35.13 H new ATOM 0 HD1 TYR A 79 -13.477 -15.924 -15.661 1.00 32.40 H new ATOM 0 HD2 TYR A 79 -13.809 -12.524 -18.206 1.00 4.22 H new ATOM 0 HE1 TYR A 79 -12.143 -17.077 -17.370 1.00 45.25 H new ATOM 0 HE2 TYR A 79 -12.478 -13.674 -19.919 1.00 21.44 H new ATOM 0 HH TYR A 79 -11.377 -15.505 -20.486 1.00 1.14 H new ATOM 1269 N THR A 80 -13.311 -14.307 -12.841 1.00 35.23 N ATOM 1270 CA THR A 80 -12.571 -15.308 -12.083 1.00 51.23 C ATOM 1271 C THR A 80 -13.413 -16.558 -11.854 1.00 71.11 C ATOM 1272 O THR A 80 -14.504 -16.488 -11.288 1.00 34.41 O ATOM 1273 CB THR A 80 -12.111 -14.756 -10.721 1.00 1.24 C ATOM 1274 OG1 THR A 80 -11.446 -15.781 -9.975 1.00 43.30 O ATOM 1275 CG2 THR A 80 -13.295 -14.229 -9.923 1.00 31.04 C ATOM 0 H THR A 80 -14.201 -14.036 -12.424 1.00 35.23 H new ATOM 0 HA THR A 80 -11.694 -15.568 -12.676 1.00 51.23 H new ATOM 0 HB THR A 80 -11.419 -13.933 -10.903 1.00 1.24 H new ATOM 0 HG1 THR A 80 -11.155 -15.421 -9.111 1.00 43.30 H new ATOM 0 HG21 THR A 80 -12.946 -13.844 -8.965 1.00 31.04 H new ATOM 0 HG22 THR A 80 -13.782 -13.428 -10.480 1.00 31.04 H new ATOM 0 HG23 THR A 80 -14.007 -15.037 -9.752 1.00 31.04 H new ATOM 1283 N VAL A 81 -12.900 -17.701 -12.296 1.00 1.11 N ATOM 1284 CA VAL A 81 -13.605 -18.968 -12.137 1.00 4.51 C ATOM 1285 C VAL A 81 -13.286 -19.609 -10.791 1.00 63.31 C ATOM 1286 O VAL A 81 -12.122 -19.843 -10.463 1.00 74.20 O ATOM 1287 CB VAL A 81 -13.243 -19.956 -13.263 1.00 11.14 C ATOM 1288 CG1 VAL A 81 -13.780 -19.464 -14.598 1.00 60.02 C ATOM 1289 CG2 VAL A 81 -11.737 -20.162 -13.326 1.00 74.43 C ATOM 0 H VAL A 81 -11.999 -17.776 -12.767 1.00 1.11 H new ATOM 0 HA VAL A 81 -14.671 -18.746 -12.187 1.00 4.51 H new ATOM 0 HB VAL A 81 -13.709 -20.917 -13.044 1.00 11.14 H new ATOM 0 HG11 VAL A 81 -13.515 -20.174 -15.381 1.00 60.02 H new ATOM 0 HG12 VAL A 81 -14.865 -19.373 -14.543 1.00 60.02 H new ATOM 0 HG13 VAL A 81 -13.346 -18.491 -14.829 1.00 60.02 H new ATOM 0 HG21 VAL A 81 -11.499 -20.862 -14.126 1.00 74.43 H new ATOM 0 HG22 VAL A 81 -11.247 -19.208 -13.521 1.00 74.43 H new ATOM 0 HG23 VAL A 81 -11.385 -20.563 -12.376 1.00 74.43 H new ATOM 1299 N LEU A 82 -14.327 -19.891 -10.016 1.00 10.33 N ATOM 1300 CA LEU A 82 -14.159 -20.506 -8.703 1.00 44.23 C ATOM 1301 C LEU A 82 -14.649 -21.950 -8.713 1.00 13.22 C ATOM 1302 O LEU A 82 -15.816 -22.216 -8.999 1.00 72.21 O ATOM 1303 CB LEU A 82 -14.915 -19.705 -7.642 1.00 62.34 C ATOM 1304 CG LEU A 82 -14.190 -18.480 -7.083 1.00 14.40 C ATOM 1305 CD1 LEU A 82 -12.875 -18.886 -6.437 1.00 31.14 C ATOM 1306 CD2 LEU A 82 -13.952 -17.453 -8.182 1.00 32.23 C ATOM 0 H LEU A 82 -15.296 -19.704 -10.273 1.00 10.33 H new ATOM 0 HA LEU A 82 -13.096 -20.504 -8.461 1.00 44.23 H new ATOM 0 HB2 LEU A 82 -15.863 -19.378 -8.069 1.00 62.34 H new ATOM 0 HB3 LEU A 82 -15.152 -20.372 -6.813 1.00 62.34 H new ATOM 0 HG LEU A 82 -14.821 -18.026 -6.319 1.00 14.40 H new ATOM 0 HD11 LEU A 82 -12.374 -18.001 -6.045 1.00 31.14 H new ATOM 0 HD12 LEU A 82 -13.070 -19.583 -5.622 1.00 31.14 H new ATOM 0 HD13 LEU A 82 -12.237 -19.365 -7.180 1.00 31.14 H new ATOM 0 HD21 LEU A 82 -13.435 -16.588 -7.766 1.00 32.23 H new ATOM 0 HD22 LEU A 82 -13.342 -17.897 -8.969 1.00 32.23 H new ATOM 0 HD23 LEU A 82 -14.909 -17.138 -8.599 1.00 32.23 H new ATOM 1318 N GLN A 83 -13.752 -22.876 -8.394 1.00 31.52 N ATOM 1319 CA GLN A 83 -14.094 -24.294 -8.365 1.00 14.53 C ATOM 1320 C GLN A 83 -13.662 -24.931 -7.047 1.00 42.13 C ATOM 1321 O GLN A 83 -12.662 -24.530 -6.452 1.00 12.53 O ATOM 1322 CB GLN A 83 -13.439 -25.024 -9.537 1.00 44.13 C ATOM 1323 CG GLN A 83 -13.650 -24.336 -10.876 1.00 60.15 C ATOM 1324 CD GLN A 83 -13.489 -25.282 -12.050 1.00 22.51 C ATOM 1325 OE1 GLN A 83 -13.594 -26.500 -11.900 1.00 22.12 O ATOM 1326 NE2 GLN A 83 -13.231 -24.726 -13.228 1.00 43.22 N ATOM 0 H GLN A 83 -12.783 -22.671 -8.152 1.00 31.52 H new ATOM 0 HA GLN A 83 -15.177 -24.382 -8.453 1.00 14.53 H new ATOM 0 HB2 GLN A 83 -12.369 -25.112 -9.348 1.00 44.13 H new ATOM 0 HB3 GLN A 83 -13.837 -26.037 -9.592 1.00 44.13 H new ATOM 0 HG2 GLN A 83 -14.648 -23.898 -10.902 1.00 60.15 H new ATOM 0 HG3 GLN A 83 -12.939 -23.516 -10.975 1.00 60.15 H new ATOM 0 HE21 GLN A 83 -13.152 -23.712 -13.307 1.00 43.22 H new ATOM 0 HE22 GLN A 83 -13.112 -25.313 -14.054 1.00 43.22 H new ATOM 1335 N ASP A 84 -14.421 -25.925 -6.600 1.00 40.21 N ATOM 1336 CA ASP A 84 -14.116 -26.618 -5.354 1.00 54.13 C ATOM 1337 C ASP A 84 -13.547 -28.006 -5.629 1.00 43.24 C ATOM 1338 O ASP A 84 -13.937 -28.985 -4.996 1.00 34.30 O ATOM 1339 CB ASP A 84 -15.372 -26.732 -4.488 1.00 14.35 C ATOM 1340 CG ASP A 84 -15.054 -27.114 -3.055 1.00 55.04 C ATOM 1341 OD1 ASP A 84 -13.891 -26.939 -2.640 1.00 10.14 O ATOM 1342 OD2 ASP A 84 -15.971 -27.589 -2.351 1.00 42.42 O ATOM 0 H ASP A 84 -15.252 -26.269 -7.082 1.00 40.21 H new ATOM 0 HA ASP A 84 -13.366 -26.036 -4.819 1.00 54.13 H new ATOM 0 HB2 ASP A 84 -15.904 -25.781 -4.498 1.00 14.35 H new ATOM 0 HB3 ASP A 84 -16.041 -27.476 -4.920 1.00 14.35 H new ATOM 1347 N ASN A 85 -12.621 -28.081 -6.581 1.00 34.32 N ATOM 1348 CA ASN A 85 -11.998 -29.350 -6.942 1.00 71.32 C ATOM 1349 C ASN A 85 -10.841 -29.131 -7.911 1.00 23.45 C ATOM 1350 O ASN A 85 -10.914 -29.470 -9.093 1.00 35.33 O ATOM 1351 CB ASN A 85 -13.032 -30.289 -7.568 1.00 21.23 C ATOM 1352 CG ASN A 85 -12.633 -31.748 -7.451 1.00 44.23 C ATOM 1353 OD1 ASN A 85 -13.145 -32.476 -6.601 1.00 21.41 O ATOM 1354 ND2 ASN A 85 -11.715 -32.181 -8.307 1.00 2.25 N ATOM 0 H ASN A 85 -12.286 -27.279 -7.115 1.00 34.32 H new ATOM 0 HA ASN A 85 -11.606 -29.806 -6.033 1.00 71.32 H new ATOM 0 HB2 ASN A 85 -13.996 -30.139 -7.083 1.00 21.23 H new ATOM 0 HB3 ASN A 85 -13.161 -30.034 -8.620 1.00 21.23 H new ATOM 0 HD21 ASN A 85 -11.407 -33.153 -8.276 1.00 2.25 H new ATOM 0 HD22 ASN A 85 -11.318 -31.542 -8.995 1.00 2.25 H new ATOM 1361 N PRO A 86 -9.745 -28.551 -7.402 1.00 25.04 N ATOM 1362 CA PRO A 86 -8.549 -28.274 -8.204 1.00 2.03 C ATOM 1363 C PRO A 86 -7.810 -29.548 -8.601 1.00 40.11 C ATOM 1364 O PRO A 86 -7.540 -30.407 -7.761 1.00 45.11 O ATOM 1365 CB PRO A 86 -7.684 -27.423 -7.271 1.00 41.44 C ATOM 1366 CG PRO A 86 -8.120 -27.804 -5.899 1.00 11.51 C ATOM 1367 CD PRO A 86 -9.586 -28.120 -6.002 1.00 51.51 C ATOM 0 HA PRO A 86 -8.795 -27.782 -9.145 1.00 2.03 H new ATOM 0 HB2 PRO A 86 -6.623 -27.626 -7.420 1.00 41.44 H new ATOM 0 HB3 PRO A 86 -7.834 -26.359 -7.453 1.00 41.44 H new ATOM 0 HG2 PRO A 86 -7.560 -28.666 -5.537 1.00 11.51 H new ATOM 0 HG3 PRO A 86 -7.945 -26.991 -5.194 1.00 11.51 H new ATOM 0 HD2 PRO A 86 -9.878 -28.905 -5.304 1.00 51.51 H new ATOM 0 HD3 PRO A 86 -10.202 -27.249 -5.777 1.00 51.51 H new ATOM 1375 N ARG A 87 -7.484 -29.663 -9.884 1.00 13.22 N ATOM 1376 CA ARG A 87 -6.777 -30.831 -10.391 1.00 63.42 C ATOM 1377 C ARG A 87 -5.460 -30.428 -11.048 1.00 13.41 C ATOM 1378 O ARG A 87 -5.413 -29.494 -11.849 1.00 72.10 O ATOM 1379 CB ARG A 87 -7.650 -31.586 -11.397 1.00 5.42 C ATOM 1380 CG ARG A 87 -7.161 -32.995 -11.690 1.00 72.30 C ATOM 1381 CD ARG A 87 -8.253 -33.843 -12.322 1.00 74.10 C ATOM 1382 NE ARG A 87 -7.959 -35.271 -12.234 1.00 43.31 N ATOM 1383 CZ ARG A 87 -8.875 -36.221 -12.381 1.00 4.22 C ATOM 1384 NH1 ARG A 87 -10.138 -35.898 -12.623 1.00 42.21 N ATOM 1385 NH2 ARG A 87 -8.529 -37.499 -12.287 1.00 22.03 N ATOM 0 H ARG A 87 -7.699 -28.960 -10.591 1.00 13.22 H new ATOM 0 HA ARG A 87 -6.557 -31.485 -9.547 1.00 63.42 H new ATOM 0 HB2 ARG A 87 -8.670 -31.636 -11.015 1.00 5.42 H new ATOM 0 HB3 ARG A 87 -7.687 -31.022 -12.329 1.00 5.42 H new ATOM 0 HG2 ARG A 87 -6.301 -32.951 -12.358 1.00 72.30 H new ATOM 0 HG3 ARG A 87 -6.824 -33.464 -10.766 1.00 72.30 H new ATOM 0 HD2 ARG A 87 -9.203 -33.638 -11.828 1.00 74.10 H new ATOM 0 HD3 ARG A 87 -8.371 -33.561 -13.368 1.00 74.10 H new ATOM 0 HE ARG A 87 -6.997 -35.554 -12.049 1.00 43.31 H new ATOM 0 HH11 ARG A 87 -10.408 -34.917 -12.697 1.00 42.21 H new ATOM 0 HH12 ARG A 87 -10.839 -36.630 -12.735 1.00 42.21 H new ATOM 0 HH21 ARG A 87 -7.558 -37.752 -12.102 1.00 22.03 H new ATOM 0 HH22 ARG A 87 -9.234 -38.228 -12.400 1.00 22.03 H new ATOM 1399 N THR A 88 -4.390 -31.138 -10.702 1.00 42.23 N ATOM 1400 CA THR A 88 -3.072 -30.853 -11.255 1.00 70.33 C ATOM 1401 C THR A 88 -2.880 -31.544 -12.600 1.00 20.11 C ATOM 1402 O THR A 88 -3.299 -32.688 -12.786 1.00 45.01 O ATOM 1403 CB THR A 88 -1.952 -31.298 -10.297 1.00 3.00 C ATOM 1404 OG1 THR A 88 -2.082 -32.693 -10.005 1.00 35.12 O ATOM 1405 CG2 THR A 88 -1.998 -30.498 -9.003 1.00 44.21 C ATOM 0 H THR A 88 -4.411 -31.915 -10.041 1.00 42.23 H new ATOM 0 HA THR A 88 -3.013 -29.773 -11.392 1.00 70.33 H new ATOM 0 HB THR A 88 -0.994 -31.117 -10.785 1.00 3.00 H new ATOM 0 HG1 THR A 88 -1.365 -32.968 -9.396 1.00 35.12 H new ATOM 0 HG21 THR A 88 -1.198 -30.830 -8.342 1.00 44.21 H new ATOM 0 HG22 THR A 88 -1.869 -29.439 -9.225 1.00 44.21 H new ATOM 0 HG23 THR A 88 -2.960 -30.652 -8.514 1.00 44.21 H new ATOM 1413 N ILE A 89 -2.243 -30.845 -13.534 1.00 25.52 N ATOM 1414 CA ILE A 89 -1.993 -31.394 -14.861 1.00 23.33 C ATOM 1415 C ILE A 89 -0.670 -32.150 -14.903 1.00 64.13 C ATOM 1416 O ILE A 89 0.321 -31.724 -14.309 1.00 15.40 O ATOM 1417 CB ILE A 89 -1.975 -30.289 -15.933 1.00 11.43 C ATOM 1418 CG1 ILE A 89 -3.234 -29.427 -15.829 1.00 11.10 C ATOM 1419 CG2 ILE A 89 -1.858 -30.900 -17.321 1.00 63.25 C ATOM 1420 CD1 ILE A 89 -3.081 -28.241 -14.901 1.00 24.54 C ATOM 0 H ILE A 89 -1.891 -29.898 -13.396 1.00 25.52 H new ATOM 0 HA ILE A 89 -2.809 -32.084 -15.076 1.00 23.33 H new ATOM 0 HB ILE A 89 -1.107 -29.652 -15.763 1.00 11.43 H new ATOM 0 HG12 ILE A 89 -3.502 -29.068 -16.823 1.00 11.10 H new ATOM 0 HG13 ILE A 89 -4.061 -30.046 -15.480 1.00 11.10 H new ATOM 0 HG21 ILE A 89 -1.847 -30.106 -18.068 1.00 63.25 H new ATOM 0 HG22 ILE A 89 -0.935 -31.475 -17.389 1.00 63.25 H new ATOM 0 HG23 ILE A 89 -2.709 -31.557 -17.502 1.00 63.25 H new ATOM 0 HD11 ILE A 89 -4.012 -27.675 -14.877 1.00 24.54 H new ATOM 0 HD12 ILE A 89 -2.844 -28.593 -13.897 1.00 24.54 H new ATOM 0 HD13 ILE A 89 -2.276 -27.599 -15.260 1.00 24.54 H new ATOM 1432 N VAL A 90 -0.659 -33.275 -15.612 1.00 23.35 N ATOM 1433 CA VAL A 90 0.544 -34.090 -15.734 1.00 44.21 C ATOM 1434 C VAL A 90 1.009 -34.168 -17.184 1.00 3.04 C ATOM 1435 O VAL A 90 0.795 -35.162 -17.878 1.00 21.23 O ATOM 1436 CB VAL A 90 0.313 -35.516 -15.203 1.00 63.40 C ATOM 1437 CG1 VAL A 90 -0.909 -36.139 -15.860 1.00 13.30 C ATOM 1438 CG2 VAL A 90 1.546 -36.376 -15.431 1.00 25.35 C ATOM 0 H VAL A 90 -1.470 -33.642 -16.110 1.00 23.35 H new ATOM 0 HA VAL A 90 1.315 -33.608 -15.133 1.00 44.21 H new ATOM 0 HB VAL A 90 0.131 -35.460 -14.130 1.00 63.40 H new ATOM 0 HG11 VAL A 90 -1.056 -37.147 -15.472 1.00 13.30 H new ATOM 0 HG12 VAL A 90 -1.788 -35.534 -15.641 1.00 13.30 H new ATOM 0 HG13 VAL A 90 -0.759 -36.184 -16.939 1.00 13.30 H new ATOM 0 HG21 VAL A 90 1.364 -37.381 -15.049 1.00 25.35 H new ATOM 0 HG22 VAL A 90 1.762 -36.427 -16.498 1.00 25.35 H new ATOM 0 HG23 VAL A 90 2.397 -35.938 -14.909 1.00 25.35 H new ATOM 1448 N PRO A 91 1.662 -33.095 -17.655 1.00 61.24 N ATOM 1449 CA PRO A 91 2.172 -33.018 -19.028 1.00 12.42 C ATOM 1450 C PRO A 91 3.349 -33.958 -19.262 1.00 21.03 C ATOM 1451 O PRO A 91 3.914 -34.510 -18.317 1.00 22.20 O ATOM 1452 CB PRO A 91 2.618 -31.560 -19.158 1.00 23.10 C ATOM 1453 CG PRO A 91 2.917 -31.128 -17.764 1.00 33.20 C ATOM 1454 CD PRO A 91 1.952 -31.874 -16.885 1.00 22.15 C ATOM 0 HA PRO A 91 1.421 -33.316 -19.760 1.00 12.42 H new ATOM 0 HB2 PRO A 91 3.497 -31.471 -19.797 1.00 23.10 H new ATOM 0 HB3 PRO A 91 1.836 -30.945 -19.604 1.00 23.10 H new ATOM 0 HG2 PRO A 91 3.948 -31.359 -17.496 1.00 33.20 H new ATOM 0 HG3 PRO A 91 2.793 -30.051 -17.654 1.00 33.20 H new ATOM 0 HD2 PRO A 91 2.390 -32.106 -15.914 1.00 22.15 H new ATOM 0 HD3 PRO A 91 1.049 -31.294 -16.697 1.00 22.15 H new ATOM 1462 N LYS A 92 3.715 -34.137 -20.527 1.00 33.23 N ATOM 1463 CA LYS A 92 4.827 -35.009 -20.886 1.00 74.45 C ATOM 1464 C LYS A 92 5.839 -34.271 -21.755 1.00 41.31 C ATOM 1465 O LYS A 92 5.475 -33.638 -22.747 1.00 1.34 O ATOM 1466 CB LYS A 92 4.312 -36.247 -21.624 1.00 61.43 C ATOM 1467 CG LYS A 92 5.398 -37.257 -21.949 1.00 22.25 C ATOM 1468 CD LYS A 92 4.828 -38.493 -22.625 1.00 42.00 C ATOM 1469 CE LYS A 92 5.866 -39.598 -22.733 1.00 34.43 C ATOM 1470 NZ LYS A 92 6.136 -40.238 -21.415 1.00 42.12 N ATOM 0 H LYS A 92 3.257 -33.689 -21.321 1.00 33.23 H new ATOM 0 HA LYS A 92 5.323 -35.321 -19.967 1.00 74.45 H new ATOM 0 HB2 LYS A 92 3.548 -36.731 -21.015 1.00 61.43 H new ATOM 0 HB3 LYS A 92 3.830 -35.933 -22.550 1.00 61.43 H new ATOM 0 HG2 LYS A 92 6.142 -36.796 -22.599 1.00 22.25 H new ATOM 0 HG3 LYS A 92 5.912 -37.547 -21.033 1.00 22.25 H new ATOM 0 HD2 LYS A 92 3.968 -38.854 -22.060 1.00 42.00 H new ATOM 0 HD3 LYS A 92 4.469 -38.231 -23.620 1.00 42.00 H new ATOM 0 HE2 LYS A 92 5.520 -40.353 -23.439 1.00 34.43 H new ATOM 0 HE3 LYS A 92 6.793 -39.187 -23.134 1.00 34.43 H new ATOM 0 HZ1 LYS A 92 6.730 -41.081 -21.553 1.00 42.12 H new ATOM 0 HZ2 LYS A 92 6.630 -39.564 -20.796 1.00 42.12 H new ATOM 0 HZ3 LYS A 92 5.237 -40.517 -20.974 1.00 42.12 H new ATOM 1484 N SER A 93 7.111 -34.356 -21.378 1.00 34.03 N ATOM 1485 CA SER A 93 8.175 -33.694 -22.122 1.00 14.44 C ATOM 1486 C SER A 93 9.067 -34.715 -22.821 1.00 14.31 C ATOM 1487 O SER A 93 8.929 -35.921 -22.613 1.00 11.35 O ATOM 1488 CB SER A 93 9.015 -32.823 -21.185 1.00 64.24 C ATOM 1489 OG SER A 93 9.598 -31.737 -21.884 1.00 31.22 O ATOM 0 H SER A 93 7.429 -34.877 -20.561 1.00 34.03 H new ATOM 0 HA SER A 93 7.714 -33.061 -22.881 1.00 14.44 H new ATOM 0 HB2 SER A 93 8.389 -32.445 -20.376 1.00 64.24 H new ATOM 0 HB3 SER A 93 9.798 -33.427 -20.727 1.00 64.24 H new ATOM 0 HG SER A 93 10.128 -31.195 -21.263 1.00 31.22 H new ATOM 1495 N TYR A 94 9.979 -34.224 -23.652 1.00 1.25 N ATOM 1496 CA TYR A 94 10.892 -35.093 -24.384 1.00 32.44 C ATOM 1497 C TYR A 94 11.989 -34.281 -25.067 1.00 14.33 C ATOM 1498 O TYR A 94 11.715 -33.462 -25.944 1.00 72.11 O ATOM 1499 CB TYR A 94 10.126 -35.912 -25.425 1.00 50.33 C ATOM 1500 CG TYR A 94 9.153 -35.093 -26.242 1.00 40.11 C ATOM 1501 CD1 TYR A 94 7.869 -34.835 -25.778 1.00 13.35 C ATOM 1502 CD2 TYR A 94 9.518 -34.575 -27.479 1.00 21.20 C ATOM 1503 CE1 TYR A 94 6.976 -34.087 -26.521 1.00 24.33 C ATOM 1504 CE2 TYR A 94 8.633 -33.825 -28.229 1.00 53.10 C ATOM 1505 CZ TYR A 94 7.363 -33.585 -27.746 1.00 53.34 C ATOM 1506 OH TYR A 94 6.478 -32.838 -28.489 1.00 74.55 O ATOM 0 H TYR A 94 10.106 -33.229 -23.836 1.00 1.25 H new ATOM 0 HA TYR A 94 11.359 -35.771 -23.669 1.00 32.44 H new ATOM 0 HB2 TYR A 94 10.840 -36.389 -26.096 1.00 50.33 H new ATOM 0 HB3 TYR A 94 9.582 -36.709 -24.919 1.00 50.33 H new ATOM 0 HD1 TYR A 94 7.563 -35.226 -24.819 1.00 13.35 H new ATOM 0 HD2 TYR A 94 10.511 -34.762 -27.861 1.00 21.20 H new ATOM 0 HE1 TYR A 94 5.982 -33.897 -26.145 1.00 24.33 H new ATOM 0 HE2 TYR A 94 8.933 -33.429 -29.188 1.00 53.10 H new ATOM 0 HH TYR A 94 6.907 -32.559 -29.325 1.00 74.55 H new ATOM 1516 N ALA A 95 13.231 -34.514 -24.657 1.00 35.33 N ATOM 1517 CA ALA A 95 14.370 -33.807 -25.229 1.00 11.04 C ATOM 1518 C ALA A 95 15.215 -34.736 -26.094 1.00 33.52 C ATOM 1519 O ALA A 95 14.869 -35.900 -26.292 1.00 71.53 O ATOM 1520 CB ALA A 95 15.219 -33.194 -24.126 1.00 42.51 C ATOM 0 H ALA A 95 13.474 -35.187 -23.930 1.00 35.33 H new ATOM 0 HA ALA A 95 13.988 -33.008 -25.865 1.00 11.04 H new ATOM 0 HB1 ALA A 95 16.066 -32.669 -24.568 1.00 42.51 H new ATOM 0 HB2 ALA A 95 14.616 -32.491 -23.551 1.00 42.51 H new ATOM 0 HB3 ALA A 95 15.584 -33.982 -23.467 1.00 42.51 H new ATOM 1526 N ASP A 96 16.323 -34.214 -26.607 1.00 65.21 N ATOM 1527 CA ASP A 96 17.218 -34.997 -27.451 1.00 1.43 C ATOM 1528 C ASP A 96 16.492 -35.496 -28.697 1.00 21.04 C ATOM 1529 O ASP A 96 16.819 -36.551 -29.237 1.00 24.14 O ATOM 1530 CB ASP A 96 17.786 -36.182 -26.667 1.00 44.11 C ATOM 1531 CG ASP A 96 19.082 -36.700 -27.260 1.00 30.30 C ATOM 1532 OD1 ASP A 96 19.840 -35.888 -27.829 1.00 75.02 O ATOM 1533 OD2 ASP A 96 19.337 -37.919 -27.155 1.00 0.41 O ATOM 0 H ASP A 96 16.623 -33.251 -26.453 1.00 65.21 H new ATOM 0 HA ASP A 96 18.039 -34.352 -27.765 1.00 1.43 H new ATOM 0 HB2 ASP A 96 17.957 -35.882 -25.633 1.00 44.11 H new ATOM 0 HB3 ASP A 96 17.051 -36.987 -26.648 1.00 44.11 H new ATOM 1538 N ASN A 97 15.504 -34.729 -29.147 1.00 15.34 N ATOM 1539 CA ASN A 97 14.730 -35.095 -30.327 1.00 43.43 C ATOM 1540 C ASN A 97 15.429 -34.628 -31.601 1.00 72.42 C ATOM 1541 O ASN A 97 15.941 -33.510 -31.667 1.00 64.13 O ATOM 1542 CB ASN A 97 13.328 -34.489 -30.251 1.00 54.43 C ATOM 1543 CG ASN A 97 12.350 -35.386 -29.517 1.00 14.05 C ATOM 1544 OD1 ASN A 97 11.225 -35.598 -29.970 1.00 33.50 O ATOM 1545 ND2 ASN A 97 12.775 -35.915 -28.376 1.00 25.42 N ATOM 0 H ASN A 97 15.221 -33.851 -28.712 1.00 15.34 H new ATOM 0 HA ASN A 97 14.648 -36.182 -30.355 1.00 43.43 H new ATOM 0 HB2 ASN A 97 13.379 -33.523 -29.748 1.00 54.43 H new ATOM 0 HB3 ASN A 97 12.960 -34.304 -31.260 1.00 54.43 H new ATOM 0 HD21 ASN A 97 12.161 -36.525 -27.837 1.00 25.42 H new ATOM 0 HD22 ASN A 97 13.716 -35.712 -28.039 1.00 25.42 H new ATOM 1552 N PHE A 98 15.446 -35.492 -32.610 1.00 23.54 N ATOM 1553 CA PHE A 98 16.082 -35.170 -33.882 1.00 4.42 C ATOM 1554 C PHE A 98 15.173 -35.535 -35.052 1.00 61.31 C ATOM 1555 O PHE A 98 14.567 -36.607 -35.073 1.00 4.21 O ATOM 1556 CB PHE A 98 17.418 -35.906 -34.010 1.00 15.31 C ATOM 1557 CG PHE A 98 18.421 -35.182 -34.863 1.00 72.42 C ATOM 1558 CD1 PHE A 98 19.078 -34.061 -34.383 1.00 11.34 C ATOM 1559 CD2 PHE A 98 18.706 -35.624 -36.144 1.00 61.33 C ATOM 1560 CE1 PHE A 98 20.002 -33.394 -35.165 1.00 32.21 C ATOM 1561 CE2 PHE A 98 19.630 -34.962 -36.930 1.00 71.35 C ATOM 1562 CZ PHE A 98 20.277 -33.845 -36.441 1.00 4.21 C ATOM 0 H PHE A 98 15.026 -36.421 -32.572 1.00 23.54 H new ATOM 0 HA PHE A 98 16.264 -34.096 -33.907 1.00 4.42 H new ATOM 0 HB2 PHE A 98 17.839 -36.055 -33.016 1.00 15.31 H new ATOM 0 HB3 PHE A 98 17.240 -36.895 -34.432 1.00 15.31 H new ATOM 0 HD1 PHE A 98 18.866 -33.704 -33.386 1.00 11.34 H new ATOM 0 HD2 PHE A 98 18.201 -36.496 -36.533 1.00 61.33 H new ATOM 0 HE1 PHE A 98 20.508 -32.522 -34.779 1.00 32.21 H new ATOM 0 HE2 PHE A 98 19.846 -35.318 -37.926 1.00 71.35 H new ATOM 0 HZ PHE A 98 20.997 -33.325 -37.055 1.00 4.21 H new ATOM 1572 N THR A 99 15.082 -34.635 -36.027 1.00 1.13 N ATOM 1573 CA THR A 99 14.248 -34.860 -37.200 1.00 40.32 C ATOM 1574 C THR A 99 15.088 -35.275 -38.402 1.00 42.52 C ATOM 1575 O THR A 99 16.313 -35.156 -38.386 1.00 63.34 O ATOM 1576 CB THR A 99 13.439 -33.601 -37.564 1.00 1.40 C ATOM 1577 OG1 THR A 99 14.223 -32.427 -37.321 1.00 13.43 O ATOM 1578 CG2 THR A 99 12.152 -33.532 -36.757 1.00 15.22 C ATOM 0 H THR A 99 15.577 -33.743 -36.026 1.00 1.13 H new ATOM 0 HA THR A 99 13.559 -35.666 -36.947 1.00 40.32 H new ATOM 0 HB THR A 99 13.183 -33.655 -38.622 1.00 1.40 H new ATOM 0 HG1 THR A 99 13.702 -31.631 -37.557 1.00 13.43 H new ATOM 0 HG21 THR A 99 11.598 -32.634 -37.032 1.00 15.22 H new ATOM 0 HG22 THR A 99 11.544 -34.412 -36.966 1.00 15.22 H new ATOM 0 HG23 THR A 99 12.390 -33.500 -35.694 1.00 15.22 H new ATOM 1586 N LYS A 100 14.422 -35.761 -39.444 1.00 11.05 N ATOM 1587 CA LYS A 100 15.108 -36.193 -40.657 1.00 34.04 C ATOM 1588 C LYS A 100 14.116 -36.404 -41.796 1.00 22.24 C ATOM 1589 O LYS A 100 13.848 -37.529 -42.217 1.00 41.11 O ATOM 1590 CB LYS A 100 15.884 -37.485 -40.396 1.00 23.34 C ATOM 1591 CG LYS A 100 16.740 -37.928 -41.570 1.00 30.24 C ATOM 1592 CD LYS A 100 17.491 -39.213 -41.259 1.00 71.02 C ATOM 1593 CE LYS A 100 17.870 -39.957 -42.531 1.00 3.12 C ATOM 1594 NZ LYS A 100 16.785 -40.870 -42.983 1.00 73.31 N ATOM 0 H LYS A 100 13.408 -35.866 -39.473 1.00 11.05 H new ATOM 0 HA LYS A 100 15.808 -35.409 -40.948 1.00 34.04 H new ATOM 0 HB2 LYS A 100 16.523 -37.345 -39.524 1.00 23.34 H new ATOM 0 HB3 LYS A 100 15.179 -38.279 -40.151 1.00 23.34 H new ATOM 0 HG2 LYS A 100 16.109 -38.077 -42.446 1.00 30.24 H new ATOM 0 HG3 LYS A 100 17.451 -37.141 -41.820 1.00 30.24 H new ATOM 0 HD2 LYS A 100 18.391 -38.981 -40.689 1.00 71.02 H new ATOM 0 HD3 LYS A 100 16.873 -39.855 -40.631 1.00 71.02 H new ATOM 0 HE2 LYS A 100 18.092 -39.238 -43.320 1.00 3.12 H new ATOM 0 HE3 LYS A 100 18.780 -40.532 -42.358 1.00 3.12 H new ATOM 0 HZ1 LYS A 100 17.082 -41.358 -43.852 1.00 73.31 H new ATOM 0 HZ2 LYS A 100 16.590 -41.572 -42.241 1.00 73.31 H new ATOM 0 HZ3 LYS A 100 15.924 -40.319 -43.173 1.00 73.31 H new ATOM 1608 N PRO A 101 13.558 -35.297 -42.309 1.00 11.23 N ATOM 1609 CA PRO A 101 12.589 -35.336 -43.408 1.00 13.24 C ATOM 1610 C PRO A 101 13.228 -35.744 -44.730 1.00 62.54 C ATOM 1611 O PRO A 101 12.641 -36.497 -45.508 1.00 5.30 O ATOM 1612 CB PRO A 101 12.080 -33.894 -43.482 1.00 71.01 C ATOM 1613 CG PRO A 101 13.184 -33.072 -42.913 1.00 4.13 C ATOM 1614 CD PRO A 101 13.830 -33.923 -41.855 1.00 13.25 C ATOM 0 HA PRO A 101 11.804 -36.072 -43.234 1.00 13.24 H new ATOM 0 HB2 PRO A 101 11.860 -33.604 -44.510 1.00 71.01 H new ATOM 0 HB3 PRO A 101 11.159 -33.770 -42.912 1.00 71.01 H new ATOM 0 HG2 PRO A 101 13.903 -32.796 -43.685 1.00 4.13 H new ATOM 0 HG3 PRO A 101 12.801 -32.144 -42.488 1.00 4.13 H new ATOM 0 HD2 PRO A 101 14.900 -33.729 -41.781 1.00 13.25 H new ATOM 0 HD3 PRO A 101 13.403 -33.733 -40.870 1.00 13.25 H new ATOM 1622 N ARG A 102 14.434 -35.243 -44.979 1.00 30.54 N ATOM 1623 CA ARG A 102 15.152 -35.556 -46.208 1.00 21.52 C ATOM 1624 C ARG A 102 14.283 -35.281 -47.431 1.00 15.11 C ATOM 1625 O ARG A 102 14.142 -36.132 -48.310 1.00 5.52 O ATOM 1626 CB ARG A 102 15.598 -37.020 -46.205 1.00 44.35 C ATOM 1627 CG ARG A 102 16.724 -37.314 -47.183 1.00 35.53 C ATOM 1628 CD ARG A 102 18.056 -36.788 -46.675 1.00 22.53 C ATOM 1629 NE ARG A 102 18.734 -37.754 -45.814 1.00 31.13 N ATOM 1630 CZ ARG A 102 19.975 -37.598 -45.367 1.00 10.22 C ATOM 1631 NH1 ARG A 102 20.671 -36.519 -45.698 1.00 42.24 N ATOM 1632 NH2 ARG A 102 20.523 -38.521 -44.586 1.00 52.02 N ATOM 0 H ARG A 102 14.934 -34.619 -44.346 1.00 30.54 H new ATOM 0 HA ARG A 102 16.032 -34.915 -46.258 1.00 21.52 H new ATOM 0 HB2 ARG A 102 15.921 -37.291 -45.200 1.00 44.35 H new ATOM 0 HB3 ARG A 102 14.744 -37.652 -46.447 1.00 44.35 H new ATOM 0 HG2 ARG A 102 16.795 -38.390 -47.345 1.00 35.53 H new ATOM 0 HG3 ARG A 102 16.497 -36.860 -48.148 1.00 35.53 H new ATOM 0 HD2 ARG A 102 18.697 -36.546 -47.523 1.00 22.53 H new ATOM 0 HD3 ARG A 102 17.893 -35.862 -46.123 1.00 22.53 H new ATOM 0 HE ARG A 102 18.226 -38.595 -45.541 1.00 31.13 H new ATOM 0 HH11 ARG A 102 20.254 -35.807 -46.297 1.00 42.24 H new ATOM 0 HH12 ARG A 102 21.624 -36.401 -45.354 1.00 42.24 H new ATOM 0 HH21 ARG A 102 19.991 -39.352 -44.328 1.00 52.02 H new ATOM 0 HH22 ARG A 102 21.476 -38.399 -44.244 1.00 52.02 H new ATOM 1646 N ASP A 103 13.699 -34.088 -47.479 1.00 64.41 N ATOM 1647 CA ASP A 103 12.843 -33.701 -48.594 1.00 63.22 C ATOM 1648 C ASP A 103 13.678 -33.321 -49.814 1.00 11.51 C ATOM 1649 O ASP A 103 14.634 -32.553 -49.708 1.00 64.34 O ATOM 1650 CB ASP A 103 11.944 -32.531 -48.192 1.00 51.34 C ATOM 1651 CG ASP A 103 12.732 -31.273 -47.885 1.00 71.20 C ATOM 1652 OD1 ASP A 103 13.213 -31.138 -46.740 1.00 15.31 O ATOM 1653 OD2 ASP A 103 12.870 -30.424 -48.790 1.00 64.21 O ATOM 0 H ASP A 103 13.803 -33.373 -46.759 1.00 64.41 H new ATOM 0 HA ASP A 103 12.219 -34.556 -48.855 1.00 63.22 H new ATOM 0 HB2 ASP A 103 11.238 -32.326 -48.997 1.00 51.34 H new ATOM 0 HB3 ASP A 103 11.358 -32.811 -47.317 1.00 51.34 H new ATOM 1658 N MET A 104 13.309 -33.863 -50.970 1.00 21.15 N ATOM 1659 CA MET A 104 14.024 -33.581 -52.208 1.00 65.13 C ATOM 1660 C MET A 104 13.765 -32.151 -52.672 1.00 4.20 C ATOM 1661 O MET A 104 14.669 -31.471 -53.159 1.00 43.05 O ATOM 1662 CB MET A 104 13.605 -34.567 -53.301 1.00 5.20 C ATOM 1663 CG MET A 104 12.143 -34.448 -53.698 1.00 32.42 C ATOM 1664 SD MET A 104 11.583 -35.835 -54.705 1.00 73.13 S ATOM 1665 CE MET A 104 9.805 -35.640 -54.592 1.00 24.10 C ATOM 0 H MET A 104 12.519 -34.500 -51.075 1.00 21.15 H new ATOM 0 HA MET A 104 15.091 -33.695 -52.015 1.00 65.13 H new ATOM 0 HB2 MET A 104 14.227 -34.406 -54.182 1.00 5.20 H new ATOM 0 HB3 MET A 104 13.798 -35.583 -52.956 1.00 5.20 H new ATOM 0 HG2 MET A 104 11.530 -34.386 -52.799 1.00 32.42 H new ATOM 0 HG3 MET A 104 11.995 -33.520 -54.250 1.00 32.42 H new ATOM 0 HE1 MET A 104 9.315 -36.427 -55.166 1.00 24.10 H new ATOM 0 HE2 MET A 104 9.497 -35.707 -53.548 1.00 24.10 H new ATOM 0 HE3 MET A 104 9.519 -34.667 -54.993 1.00 24.10 H new TER 1675 MET A 104