USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 877 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 63 TYR OH : rot -32:sc= 1.36 USER MOD Set 1.2: A 65 CYS SG : rot 170:sc= 0.703 USER MOD Set 1.3: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.584 X(o=-1.1,f=-0.74) USER MOD Set 2.2: A 78 ASN : amide:sc= -0.556 X(o=-1.1,f=-0.74) USER MOD Set 3.1: A 33 ASN : amide:sc= 0 X(o=-0.077,f=-0.55) USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= -0.0775 USER MOD Set 4.1: A 23 THR OG1 : rot -63:sc= 0.563 USER MOD Set 4.2: A 43 LYS NZ :NH3+ -140:sc= 0.138 (180deg=-1.9) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.64) USER MOD Single : A 11 CYS SG : rot -67:sc= 0.616 USER MOD Single : A 16 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0126) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.0243 (180deg=-0.251) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -1.13 (180deg=-1.75!) USER MOD Single : A 45 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.3!) USER MOD Single : A 58 CYS SG : rot 101:sc= -0.378 USER MOD Single : A 67 ASN : amide:sc= -0.874 K(o=-0.87,f=-2.9!) USER MOD Single : A 70 GLN : amide:sc= -0.885 K(o=-0.89,f=-2) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 80:sc= 0.849 USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 89 SER OG : rot -179:sc= -0.0299 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -128:sc= -0.148 (180deg=-0.366) USER MOD Single : A 102 THR OG1 : rot 147:sc= -1.09 USER MOD Single : A 109 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-1.1) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.962 -1.065 -0.498 1.00 14.30 N ATOM 19 CA ALA A 2 3.663 -2.256 -0.960 1.00 42.21 C ATOM 20 C ALA A 2 3.788 -3.287 0.156 1.00 30.22 C ATOM 21 O ALA A 2 3.964 -2.935 1.322 1.00 22.35 O ATOM 22 CB ALA A 2 5.039 -1.884 -1.494 1.00 75.33 C ATOM 0 HA ALA A 2 3.080 -2.701 -1.766 1.00 42.21 H new ATOM 0 HB1 ALA A 2 5.552 -2.783 -1.836 1.00 75.33 H new ATOM 0 HB2 ALA A 2 4.930 -1.189 -2.327 1.00 75.33 H new ATOM 0 HB3 ALA A 2 5.621 -1.413 -0.702 1.00 75.33 H new ATOM 28 N SER A 3 3.695 -4.562 -0.209 1.00 12.11 N ATOM 29 CA SER A 3 3.793 -5.645 0.763 1.00 52.50 C ATOM 30 C SER A 3 2.528 -5.728 1.613 1.00 63.05 C ATOM 31 O SER A 3 1.779 -6.700 1.536 1.00 74.40 O ATOM 32 CB SER A 3 5.013 -5.441 1.663 1.00 21.31 C ATOM 33 OG SER A 3 5.459 -6.673 2.204 1.00 14.01 O ATOM 0 H SER A 3 3.552 -4.870 -1.171 1.00 12.11 H new ATOM 0 HA SER A 3 3.905 -6.582 0.217 1.00 52.50 H new ATOM 0 HB2 SER A 3 5.818 -4.979 1.091 1.00 21.31 H new ATOM 0 HB3 SER A 3 4.762 -4.755 2.472 1.00 21.31 H new ATOM 0 HG SER A 3 6.241 -6.516 2.774 1.00 14.01 H new ATOM 39 N GLY A 4 2.299 -4.700 2.423 1.00 15.54 N ATOM 40 CA GLY A 4 1.125 -4.675 3.276 1.00 33.24 C ATOM 41 C GLY A 4 -0.139 -4.329 2.514 1.00 61.20 C ATOM 42 O GLY A 4 -0.806 -3.341 2.820 1.00 25.23 O ATOM 0 H GLY A 4 2.905 -3.884 2.504 1.00 15.54 H new ATOM 0 HA2 GLY A 4 1.004 -5.649 3.751 1.00 33.24 H new ATOM 0 HA3 GLY A 4 1.275 -3.948 4.074 1.00 33.24 H new ATOM 46 N MET A 5 -0.468 -5.144 1.517 1.00 53.21 N ATOM 47 CA MET A 5 -1.661 -4.918 0.708 1.00 4.21 C ATOM 48 C MET A 5 -2.892 -4.743 1.592 1.00 43.24 C ATOM 49 O MET A 5 -2.978 -5.321 2.674 1.00 73.42 O ATOM 50 CB MET A 5 -1.875 -6.083 -0.260 1.00 3.01 C ATOM 51 CG MET A 5 -1.835 -7.446 0.412 1.00 63.14 C ATOM 52 SD MET A 5 -3.431 -7.930 1.097 1.00 3.32 S ATOM 53 CE MET A 5 -2.923 -8.669 2.648 1.00 52.13 C ATOM 0 H MET A 5 0.074 -5.966 1.250 1.00 53.21 H new ATOM 0 HA MET A 5 -1.513 -4.002 0.136 1.00 4.21 H new ATOM 0 HB2 MET A 5 -2.837 -5.960 -0.757 1.00 3.01 H new ATOM 0 HB3 MET A 5 -1.109 -6.046 -1.035 1.00 3.01 H new ATOM 0 HG2 MET A 5 -1.513 -8.194 -0.312 1.00 63.14 H new ATOM 0 HG3 MET A 5 -1.091 -7.432 1.209 1.00 63.14 H new ATOM 0 HE1 MET A 5 -3.802 -9.019 3.190 1.00 52.13 H new ATOM 0 HE2 MET A 5 -2.260 -9.511 2.450 1.00 52.13 H new ATOM 0 HE3 MET A 5 -2.397 -7.927 3.249 1.00 52.13 H new ATOM 63 N GLY A 6 -3.842 -3.940 1.122 1.00 33.15 N ATOM 64 CA GLY A 6 -5.055 -3.703 1.883 1.00 33.31 C ATOM 65 C GLY A 6 -6.305 -4.095 1.119 1.00 25.43 C ATOM 66 O GLY A 6 -6.871 -3.287 0.384 1.00 41.22 O ATOM 0 H GLY A 6 -3.793 -3.450 0.229 1.00 33.15 H new ATOM 0 HA2 GLY A 6 -5.011 -4.266 2.815 1.00 33.31 H new ATOM 0 HA3 GLY A 6 -5.112 -2.648 2.150 1.00 33.31 H new ATOM 70 N VAL A 7 -6.735 -5.341 1.292 1.00 72.12 N ATOM 71 CA VAL A 7 -7.925 -5.840 0.612 1.00 11.54 C ATOM 72 C VAL A 7 -9.193 -5.248 1.219 1.00 24.42 C ATOM 73 O VAL A 7 -9.567 -5.579 2.345 1.00 41.34 O ATOM 74 CB VAL A 7 -8.006 -7.376 0.678 1.00 74.34 C ATOM 75 CG1 VAL A 7 -6.952 -8.005 -0.220 1.00 72.54 C ATOM 76 CG2 VAL A 7 -7.852 -7.857 2.113 1.00 71.14 C ATOM 0 H VAL A 7 -6.277 -6.023 1.897 1.00 72.12 H new ATOM 0 HA VAL A 7 -7.847 -5.532 -0.431 1.00 11.54 H new ATOM 0 HB VAL A 7 -8.987 -7.686 0.319 1.00 74.34 H new ATOM 0 HG11 VAL A 7 -7.024 -9.091 -0.160 1.00 72.54 H new ATOM 0 HG12 VAL A 7 -7.114 -7.686 -1.250 1.00 72.54 H new ATOM 0 HG13 VAL A 7 -5.961 -7.689 0.106 1.00 72.54 H new ATOM 0 HG21 VAL A 7 -7.912 -8.945 2.140 1.00 71.14 H new ATOM 0 HG22 VAL A 7 -6.886 -7.537 2.502 1.00 71.14 H new ATOM 0 HG23 VAL A 7 -8.648 -7.434 2.726 1.00 71.14 H new ATOM 86 N ASP A 8 -9.850 -4.373 0.466 1.00 5.03 N ATOM 87 CA ASP A 8 -11.077 -3.736 0.929 1.00 51.00 C ATOM 88 C ASP A 8 -12.300 -4.382 0.286 1.00 33.20 C ATOM 89 O ASP A 8 -12.179 -5.142 -0.674 1.00 73.20 O ATOM 90 CB ASP A 8 -11.050 -2.240 0.614 1.00 55.41 C ATOM 91 CG ASP A 8 -11.844 -1.423 1.615 1.00 51.13 C ATOM 92 OD1 ASP A 8 -12.491 -2.028 2.495 1.00 21.41 O ATOM 93 OD2 ASP A 8 -11.818 -0.178 1.518 1.00 24.42 O ATOM 0 H ASP A 8 -9.553 -4.089 -0.468 1.00 5.03 H new ATOM 0 HA ASP A 8 -11.143 -3.871 2.009 1.00 51.00 H new ATOM 0 HB2 ASP A 8 -10.017 -1.892 0.604 1.00 55.41 H new ATOM 0 HB3 ASP A 8 -11.452 -2.075 -0.386 1.00 55.41 H new ATOM 98 N GLU A 9 -13.477 -4.075 0.823 1.00 2.12 N ATOM 99 CA GLU A 9 -14.721 -4.628 0.302 1.00 15.13 C ATOM 100 C GLU A 9 -14.954 -4.181 -1.138 1.00 73.42 C ATOM 101 O GLU A 9 -15.791 -4.742 -1.845 1.00 42.42 O ATOM 102 CB GLU A 9 -15.901 -4.200 1.177 1.00 13.15 C ATOM 103 CG GLU A 9 -15.919 -2.713 1.491 1.00 72.25 C ATOM 104 CD GLU A 9 -17.253 -2.249 2.044 1.00 61.55 C ATOM 105 OE1 GLU A 9 -18.262 -2.341 1.313 1.00 65.03 O ATOM 106 OE2 GLU A 9 -17.288 -1.795 3.206 1.00 71.00 O ATOM 0 H GLU A 9 -13.595 -3.447 1.618 1.00 2.12 H new ATOM 0 HA GLU A 9 -14.641 -5.715 0.319 1.00 15.13 H new ATOM 0 HB2 GLU A 9 -16.831 -4.468 0.675 1.00 13.15 H new ATOM 0 HB3 GLU A 9 -15.871 -4.760 2.112 1.00 13.15 H new ATOM 0 HG2 GLU A 9 -15.133 -2.488 2.212 1.00 72.25 H new ATOM 0 HG3 GLU A 9 -15.690 -2.151 0.585 1.00 72.25 H new ATOM 113 N ASN A 10 -14.208 -3.168 -1.565 1.00 41.04 N ATOM 114 CA ASN A 10 -14.333 -2.645 -2.921 1.00 12.41 C ATOM 115 C ASN A 10 -13.822 -3.655 -3.943 1.00 50.15 C ATOM 116 O ASN A 10 -14.544 -4.042 -4.863 1.00 70.11 O ATOM 117 CB ASN A 10 -13.561 -1.330 -3.056 1.00 34.51 C ATOM 118 CG ASN A 10 -14.143 -0.227 -2.193 1.00 72.14 C ATOM 119 OD1 ASN A 10 -15.140 0.399 -2.555 1.00 64.23 O ATOM 120 ND2 ASN A 10 -13.521 0.017 -1.046 1.00 34.54 N ATOM 0 H ASN A 10 -13.511 -2.693 -0.992 1.00 41.04 H new ATOM 0 HA ASN A 10 -15.389 -2.460 -3.117 1.00 12.41 H new ATOM 0 HB2 ASN A 10 -12.520 -1.493 -2.779 1.00 34.51 H new ATOM 0 HB3 ASN A 10 -13.568 -1.013 -4.099 1.00 34.51 H new ATOM 0 HD21 ASN A 10 -13.866 0.748 -0.424 1.00 34.54 H new ATOM 0 HD22 ASN A 10 -12.698 -0.527 -0.786 1.00 34.54 H new ATOM 127 N CYS A 11 -12.574 -4.078 -3.776 1.00 50.10 N ATOM 128 CA CYS A 11 -11.966 -5.043 -4.684 1.00 65.44 C ATOM 129 C CYS A 11 -12.938 -6.172 -5.010 1.00 15.04 C ATOM 130 O CYS A 11 -12.900 -6.745 -6.098 1.00 65.15 O ATOM 131 CB CYS A 11 -10.687 -5.617 -4.071 1.00 52.40 C ATOM 132 SG CYS A 11 -10.975 -6.903 -2.833 1.00 42.04 S ATOM 0 H CYS A 11 -11.964 -3.768 -3.020 1.00 50.10 H new ATOM 0 HA CYS A 11 -11.716 -4.525 -5.610 1.00 65.44 H new ATOM 0 HB2 CYS A 11 -10.067 -6.027 -4.868 1.00 52.40 H new ATOM 0 HB3 CYS A 11 -10.121 -4.806 -3.612 1.00 52.40 H new ATOM 0 HG CYS A 11 -11.545 -6.380 -1.788 1.00 42.04 H new ATOM 138 N VAL A 12 -13.810 -6.488 -4.057 1.00 53.31 N ATOM 139 CA VAL A 12 -14.793 -7.548 -4.242 1.00 34.45 C ATOM 140 C VAL A 12 -15.861 -7.139 -5.250 1.00 63.23 C ATOM 141 O VAL A 12 -16.117 -7.850 -6.221 1.00 62.53 O ATOM 142 CB VAL A 12 -15.475 -7.919 -2.911 1.00 73.22 C ATOM 143 CG1 VAL A 12 -16.568 -8.953 -3.141 1.00 4.43 C ATOM 144 CG2 VAL A 12 -14.449 -8.429 -1.911 1.00 20.31 C ATOM 0 H VAL A 12 -13.855 -6.025 -3.149 1.00 53.31 H new ATOM 0 HA VAL A 12 -14.254 -8.416 -4.621 1.00 34.45 H new ATOM 0 HB VAL A 12 -15.937 -7.023 -2.497 1.00 73.22 H new ATOM 0 HG11 VAL A 12 -17.038 -9.203 -2.190 1.00 4.43 H new ATOM 0 HG12 VAL A 12 -17.317 -8.546 -3.820 1.00 4.43 H new ATOM 0 HG13 VAL A 12 -16.133 -9.852 -3.578 1.00 4.43 H new ATOM 0 HG21 VAL A 12 -14.948 -8.686 -0.977 1.00 20.31 H new ATOM 0 HG22 VAL A 12 -13.956 -9.313 -2.315 1.00 20.31 H new ATOM 0 HG23 VAL A 12 -13.706 -7.653 -1.724 1.00 20.31 H new ATOM 154 N ALA A 13 -16.480 -5.987 -5.014 1.00 32.54 N ATOM 155 CA ALA A 13 -17.518 -5.482 -5.903 1.00 14.41 C ATOM 156 C ALA A 13 -17.064 -5.524 -7.358 1.00 23.22 C ATOM 157 O ALA A 13 -17.862 -5.776 -8.260 1.00 71.23 O ATOM 158 CB ALA A 13 -17.905 -4.063 -5.510 1.00 21.40 C ATOM 0 H ALA A 13 -16.280 -5.386 -4.214 1.00 32.54 H new ATOM 0 HA ALA A 13 -18.391 -6.127 -5.804 1.00 14.41 H new ATOM 0 HB1 ALA A 13 -18.681 -3.698 -6.182 1.00 21.40 H new ATOM 0 HB2 ALA A 13 -18.280 -4.058 -4.487 1.00 21.40 H new ATOM 0 HB3 ALA A 13 -17.031 -3.415 -5.579 1.00 21.40 H new ATOM 164 N ARG A 14 -15.777 -5.276 -7.578 1.00 41.42 N ATOM 165 CA ARG A 14 -15.217 -5.284 -8.924 1.00 42.22 C ATOM 166 C ARG A 14 -15.507 -6.607 -9.626 1.00 34.20 C ATOM 167 O ARG A 14 -16.121 -6.635 -10.693 1.00 14.42 O ATOM 168 CB ARG A 14 -13.707 -5.042 -8.873 1.00 31.11 C ATOM 169 CG ARG A 14 -13.327 -3.571 -8.839 1.00 44.04 C ATOM 170 CD ARG A 14 -13.967 -2.857 -7.660 1.00 15.51 C ATOM 171 NE ARG A 14 -15.307 -2.369 -7.977 1.00 71.14 N ATOM 172 CZ ARG A 14 -16.138 -1.862 -7.073 1.00 71.44 C ATOM 173 NH1 ARG A 14 -15.769 -1.777 -5.803 1.00 2.41 N ATOM 174 NH2 ARG A 14 -17.341 -1.440 -7.440 1.00 13.41 N ATOM 0 H ARG A 14 -15.103 -5.067 -6.842 1.00 41.42 H new ATOM 0 HA ARG A 14 -15.688 -4.481 -9.491 1.00 42.22 H new ATOM 0 HB2 ARG A 14 -13.298 -5.535 -7.991 1.00 31.11 H new ATOM 0 HB3 ARG A 14 -13.243 -5.508 -9.742 1.00 31.11 H new ATOM 0 HG2 ARG A 14 -12.243 -3.476 -8.778 1.00 44.04 H new ATOM 0 HG3 ARG A 14 -13.638 -3.092 -9.768 1.00 44.04 H new ATOM 0 HD2 ARG A 14 -14.021 -3.537 -6.810 1.00 15.51 H new ATOM 0 HD3 ARG A 14 -13.338 -2.019 -7.359 1.00 15.51 H new ATOM 0 HE ARG A 14 -15.622 -2.420 -8.946 1.00 71.14 H new ATOM 0 HH11 ARG A 14 -14.845 -2.101 -5.518 1.00 2.41 H new ATOM 0 HH12 ARG A 14 -16.409 -1.387 -5.111 1.00 2.41 H new ATOM 0 HH21 ARG A 14 -17.628 -1.505 -8.417 1.00 13.41 H new ATOM 0 HH22 ARG A 14 -17.979 -1.051 -6.746 1.00 13.41 H new ATOM 188 N PHE A 15 -15.062 -7.703 -9.020 1.00 4.40 N ATOM 189 CA PHE A 15 -15.272 -9.030 -9.587 1.00 52.51 C ATOM 190 C PHE A 15 -16.758 -9.374 -9.629 1.00 12.44 C ATOM 191 O PHE A 15 -17.213 -10.104 -10.508 1.00 45.01 O ATOM 192 CB PHE A 15 -14.516 -10.081 -8.773 1.00 32.34 C ATOM 193 CG PHE A 15 -15.122 -11.453 -8.856 1.00 65.44 C ATOM 194 CD1 PHE A 15 -14.786 -12.311 -9.892 1.00 2.04 C ATOM 195 CD2 PHE A 15 -16.026 -11.886 -7.900 1.00 3.32 C ATOM 196 CE1 PHE A 15 -15.342 -13.574 -9.971 1.00 51.44 C ATOM 197 CE2 PHE A 15 -16.585 -13.148 -7.974 1.00 40.41 C ATOM 198 CZ PHE A 15 -16.242 -13.993 -9.011 1.00 2.11 C ATOM 0 H PHE A 15 -14.553 -7.698 -8.136 1.00 4.40 H new ATOM 0 HA PHE A 15 -14.889 -9.027 -10.607 1.00 52.51 H new ATOM 0 HB2 PHE A 15 -13.484 -10.126 -9.122 1.00 32.34 H new ATOM 0 HB3 PHE A 15 -14.486 -9.768 -7.729 1.00 32.34 H new ATOM 0 HD1 PHE A 15 -14.082 -11.989 -10.645 1.00 2.04 H new ATOM 0 HD2 PHE A 15 -16.297 -11.229 -7.087 1.00 3.32 H new ATOM 0 HE1 PHE A 15 -15.073 -14.233 -10.783 1.00 51.44 H new ATOM 0 HE2 PHE A 15 -17.289 -13.473 -7.222 1.00 40.41 H new ATOM 0 HZ PHE A 15 -16.677 -14.980 -9.071 1.00 2.11 H new ATOM 208 N ASN A 16 -17.510 -8.842 -8.670 1.00 4.20 N ATOM 209 CA ASN A 16 -18.944 -9.093 -8.596 1.00 33.05 C ATOM 210 C ASN A 16 -19.681 -8.379 -9.725 1.00 1.55 C ATOM 211 O ASN A 16 -20.832 -8.693 -10.023 1.00 55.33 O ATOM 212 CB ASN A 16 -19.494 -8.635 -7.243 1.00 22.20 C ATOM 213 CG ASN A 16 -21.003 -8.761 -7.159 1.00 63.33 C ATOM 214 OD1 ASN A 16 -21.541 -9.865 -7.075 1.00 62.54 O ATOM 215 ND2 ASN A 16 -21.693 -7.627 -7.182 1.00 72.21 N ATOM 0 H ASN A 16 -17.150 -8.235 -7.934 1.00 4.20 H new ATOM 0 HA ASN A 16 -19.105 -10.166 -8.702 1.00 33.05 H new ATOM 0 HB2 ASN A 16 -19.038 -9.227 -6.449 1.00 22.20 H new ATOM 0 HB3 ASN A 16 -19.209 -7.597 -7.070 1.00 22.20 H new ATOM 0 HD21 ASN A 16 -22.711 -7.649 -7.129 1.00 72.21 H new ATOM 0 HD22 ASN A 16 -21.205 -6.734 -7.253 1.00 72.21 H new ATOM 222 N GLU A 17 -19.007 -7.417 -10.348 1.00 14.32 N ATOM 223 CA GLU A 17 -19.599 -6.658 -11.444 1.00 3.24 C ATOM 224 C GLU A 17 -19.493 -7.427 -12.757 1.00 70.13 C ATOM 225 O GLU A 17 -20.463 -7.531 -13.509 1.00 14.01 O ATOM 226 CB GLU A 17 -18.912 -5.297 -11.580 1.00 70.30 C ATOM 227 CG GLU A 17 -19.310 -4.304 -10.502 1.00 11.34 C ATOM 228 CD GLU A 17 -20.070 -3.114 -11.056 1.00 63.10 C ATOM 229 OE1 GLU A 17 -19.428 -2.226 -11.655 1.00 23.22 O ATOM 230 OE2 GLU A 17 -21.307 -3.072 -10.891 1.00 1.21 O ATOM 0 H GLU A 17 -18.052 -7.145 -10.113 1.00 14.32 H new ATOM 0 HA GLU A 17 -20.654 -6.504 -11.218 1.00 3.24 H new ATOM 0 HB2 GLU A 17 -17.832 -5.440 -11.549 1.00 70.30 H new ATOM 0 HB3 GLU A 17 -19.150 -4.875 -12.556 1.00 70.30 H new ATOM 0 HG2 GLU A 17 -19.926 -4.809 -9.758 1.00 11.34 H new ATOM 0 HG3 GLU A 17 -18.415 -3.952 -9.989 1.00 11.34 H new ATOM 237 N LEU A 18 -18.309 -7.964 -13.028 1.00 25.23 N ATOM 238 CA LEU A 18 -18.074 -8.724 -14.251 1.00 33.12 C ATOM 239 C LEU A 18 -18.687 -10.118 -14.152 1.00 3.42 C ATOM 240 O LEU A 18 -18.919 -10.779 -15.164 1.00 13.11 O ATOM 241 CB LEU A 18 -16.574 -8.833 -14.528 1.00 2.53 C ATOM 242 CG LEU A 18 -15.706 -9.292 -13.355 1.00 53.13 C ATOM 243 CD1 LEU A 18 -15.158 -10.687 -13.612 1.00 21.04 C ATOM 244 CD2 LEU A 18 -14.572 -8.307 -13.113 1.00 62.03 C ATOM 0 H LEU A 18 -17.496 -7.887 -12.417 1.00 25.23 H new ATOM 0 HA LEU A 18 -18.551 -8.194 -15.075 1.00 33.12 H new ATOM 0 HB2 LEU A 18 -16.427 -9.527 -15.356 1.00 2.53 H new ATOM 0 HB3 LEU A 18 -16.215 -7.859 -14.861 1.00 2.53 H new ATOM 0 HG LEU A 18 -16.327 -9.327 -12.460 1.00 53.13 H new ATOM 0 HD11 LEU A 18 -14.543 -10.998 -12.767 1.00 21.04 H new ATOM 0 HD12 LEU A 18 -15.985 -11.386 -13.735 1.00 21.04 H new ATOM 0 HD13 LEU A 18 -14.552 -10.679 -14.518 1.00 21.04 H new ATOM 0 HD21 LEU A 18 -13.965 -8.650 -12.275 1.00 62.03 H new ATOM 0 HD22 LEU A 18 -13.952 -8.240 -14.007 1.00 62.03 H new ATOM 0 HD23 LEU A 18 -14.986 -7.325 -12.884 1.00 62.03 H new ATOM 256 N LYS A 19 -18.948 -10.558 -12.926 1.00 1.44 N ATOM 257 CA LYS A 19 -19.537 -11.871 -12.693 1.00 1.12 C ATOM 258 C LYS A 19 -21.056 -11.815 -12.814 1.00 14.15 C ATOM 259 O LYS A 19 -21.683 -12.747 -13.318 1.00 61.22 O ATOM 260 CB LYS A 19 -19.144 -12.391 -11.308 1.00 44.12 C ATOM 261 CG LYS A 19 -19.396 -13.877 -11.122 1.00 63.14 C ATOM 262 CD LYS A 19 -20.746 -14.137 -10.476 1.00 21.11 C ATOM 263 CE LYS A 19 -21.333 -15.466 -10.926 1.00 24.42 C ATOM 264 NZ LYS A 19 -20.740 -16.614 -10.184 1.00 11.40 N ATOM 0 H LYS A 19 -18.761 -10.024 -12.078 1.00 1.44 H new ATOM 0 HA LYS A 19 -19.154 -12.553 -13.452 1.00 1.12 H new ATOM 0 HB2 LYS A 19 -18.087 -12.186 -11.139 1.00 44.12 H new ATOM 0 HB3 LYS A 19 -19.701 -11.839 -10.551 1.00 44.12 H new ATOM 0 HG2 LYS A 19 -19.352 -14.378 -12.089 1.00 63.14 H new ATOM 0 HG3 LYS A 19 -18.607 -14.306 -10.504 1.00 63.14 H new ATOM 0 HD2 LYS A 19 -20.638 -14.134 -9.391 1.00 21.11 H new ATOM 0 HD3 LYS A 19 -21.433 -13.330 -10.730 1.00 21.11 H new ATOM 0 HE2 LYS A 19 -22.413 -15.456 -10.776 1.00 24.42 H new ATOM 0 HE3 LYS A 19 -21.161 -15.596 -11.994 1.00 24.42 H new ATOM 0 HZ1 LYS A 19 -21.166 -17.501 -10.519 1.00 11.40 H new ATOM 0 HZ2 LYS A 19 -19.713 -16.640 -10.347 1.00 11.40 H new ATOM 0 HZ3 LYS A 19 -20.926 -16.503 -9.167 1.00 11.40 H new ATOM 278 N ILE A 20 -21.642 -10.716 -12.349 1.00 32.51 N ATOM 279 CA ILE A 20 -23.088 -10.539 -12.408 1.00 3.01 C ATOM 280 C ILE A 20 -23.542 -10.193 -13.822 1.00 1.42 C ATOM 281 O ILE A 20 -24.644 -10.553 -14.236 1.00 43.34 O ATOM 282 CB ILE A 20 -23.559 -9.434 -11.444 1.00 40.12 C ATOM 283 CG1 ILE A 20 -25.086 -9.427 -11.349 1.00 51.34 C ATOM 284 CG2 ILE A 20 -23.045 -8.077 -11.902 1.00 61.21 C ATOM 285 CD1 ILE A 20 -25.608 -9.784 -9.975 1.00 61.43 C ATOM 0 H ILE A 20 -21.138 -9.936 -11.928 1.00 32.51 H new ATOM 0 HA ILE A 20 -23.535 -11.487 -12.108 1.00 3.01 H new ATOM 0 HB ILE A 20 -23.153 -9.639 -10.453 1.00 40.12 H new ATOM 0 HG12 ILE A 20 -25.454 -8.438 -11.623 1.00 51.34 H new ATOM 0 HG13 ILE A 20 -25.490 -10.131 -12.076 1.00 51.34 H new ATOM 0 HG21 ILE A 20 -23.386 -7.306 -11.211 1.00 61.21 H new ATOM 0 HG22 ILE A 20 -21.955 -8.089 -11.923 1.00 61.21 H new ATOM 0 HG23 ILE A 20 -23.425 -7.862 -12.901 1.00 61.21 H new ATOM 0 HD11 ILE A 20 -26.698 -9.759 -9.982 1.00 61.43 H new ATOM 0 HD12 ILE A 20 -25.270 -10.785 -9.706 1.00 61.43 H new ATOM 0 HD13 ILE A 20 -25.233 -9.066 -9.246 1.00 61.43 H new ATOM 297 N ARG A 21 -22.685 -9.493 -14.558 1.00 23.10 N ATOM 298 CA ARG A 21 -22.997 -9.098 -15.926 1.00 73.52 C ATOM 299 C ARG A 21 -22.427 -10.101 -16.925 1.00 44.11 C ATOM 300 O ARG A 21 -23.075 -10.448 -17.913 1.00 3.42 O ATOM 301 CB ARG A 21 -22.444 -7.702 -16.216 1.00 61.10 C ATOM 302 CG ARG A 21 -23.508 -6.699 -16.632 1.00 62.50 C ATOM 303 CD ARG A 21 -24.592 -6.567 -15.574 1.00 51.41 C ATOM 304 NE ARG A 21 -25.869 -7.110 -16.028 1.00 73.01 N ATOM 305 CZ ARG A 21 -26.666 -6.491 -16.892 1.00 12.42 C ATOM 306 NH1 ARG A 21 -26.319 -5.313 -17.392 1.00 62.15 N ATOM 307 NH2 ARG A 21 -27.813 -7.049 -17.257 1.00 30.43 N ATOM 0 H ARG A 21 -21.769 -9.188 -14.230 1.00 23.10 H new ATOM 0 HA ARG A 21 -24.082 -9.080 -16.034 1.00 73.52 H new ATOM 0 HB2 ARG A 21 -21.934 -7.330 -15.327 1.00 61.10 H new ATOM 0 HB3 ARG A 21 -21.696 -7.774 -17.006 1.00 61.10 H new ATOM 0 HG2 ARG A 21 -23.046 -5.727 -16.804 1.00 62.50 H new ATOM 0 HG3 ARG A 21 -23.955 -7.011 -17.576 1.00 62.50 H new ATOM 0 HD2 ARG A 21 -24.279 -7.086 -14.668 1.00 51.41 H new ATOM 0 HD3 ARG A 21 -24.717 -5.516 -15.313 1.00 51.41 H new ATOM 0 HE ARG A 21 -26.166 -8.015 -15.662 1.00 73.01 H new ATOM 0 HH11 ARG A 21 -25.438 -4.880 -17.113 1.00 62.15 H new ATOM 0 HH12 ARG A 21 -26.933 -4.840 -18.055 1.00 62.15 H new ATOM 0 HH21 ARG A 21 -28.084 -7.955 -16.874 1.00 30.43 H new ATOM 0 HH22 ARG A 21 -28.424 -6.572 -17.920 1.00 30.43 H new ATOM 321 N LYS A 22 -21.209 -10.563 -16.662 1.00 0.15 N ATOM 322 CA LYS A 22 -20.550 -11.526 -17.536 1.00 3.14 C ATOM 323 C LYS A 22 -20.515 -11.020 -18.974 1.00 60.22 C ATOM 324 O LYS A 22 -20.290 -11.790 -19.909 1.00 4.30 O ATOM 325 CB LYS A 22 -21.268 -12.876 -17.475 1.00 54.35 C ATOM 326 CG LYS A 22 -21.004 -13.649 -16.195 1.00 61.23 C ATOM 327 CD LYS A 22 -20.860 -15.138 -16.463 1.00 12.00 C ATOM 328 CE LYS A 22 -21.637 -15.964 -15.449 1.00 24.10 C ATOM 329 NZ LYS A 22 -23.088 -16.024 -15.777 1.00 61.44 N ATOM 0 H LYS A 22 -20.658 -10.286 -15.850 1.00 0.15 H new ATOM 0 HA LYS A 22 -19.524 -11.652 -17.189 1.00 3.14 H new ATOM 0 HB2 LYS A 22 -22.341 -12.712 -17.576 1.00 54.35 H new ATOM 0 HB3 LYS A 22 -20.957 -13.482 -18.326 1.00 54.35 H new ATOM 0 HG2 LYS A 22 -20.096 -13.274 -15.723 1.00 61.23 H new ATOM 0 HG3 LYS A 22 -21.821 -13.482 -15.493 1.00 61.23 H new ATOM 0 HD2 LYS A 22 -21.216 -15.364 -17.468 1.00 12.00 H new ATOM 0 HD3 LYS A 22 -19.806 -15.415 -16.429 1.00 12.00 H new ATOM 0 HE2 LYS A 22 -21.230 -16.975 -15.416 1.00 24.10 H new ATOM 0 HE3 LYS A 22 -21.507 -15.535 -14.455 1.00 24.10 H new ATOM 0 HZ1 LYS A 22 -23.582 -16.596 -15.062 1.00 61.44 H new ATOM 0 HZ2 LYS A 22 -23.482 -15.062 -15.784 1.00 61.44 H new ATOM 0 HZ3 LYS A 22 -23.214 -16.456 -16.714 1.00 61.44 H new ATOM 343 N THR A 23 -20.738 -9.721 -19.146 1.00 12.23 N ATOM 344 CA THR A 23 -20.732 -9.113 -20.470 1.00 50.50 C ATOM 345 C THR A 23 -19.545 -8.170 -20.637 1.00 34.23 C ATOM 346 O THR A 23 -18.724 -8.343 -21.537 1.00 71.13 O ATOM 347 CB THR A 23 -22.034 -8.333 -20.736 1.00 44.12 C ATOM 348 OG1 THR A 23 -22.683 -8.026 -19.497 1.00 44.43 O ATOM 349 CG2 THR A 23 -22.974 -9.136 -21.622 1.00 31.23 C ATOM 0 H THR A 23 -20.925 -9.069 -18.384 1.00 12.23 H new ATOM 0 HA THR A 23 -20.651 -9.927 -21.191 1.00 50.50 H new ATOM 0 HB THR A 23 -21.778 -7.407 -21.251 1.00 44.12 H new ATOM 0 HG1 THR A 23 -22.937 -8.858 -19.046 1.00 44.43 H new ATOM 0 HG21 THR A 23 -23.886 -8.565 -21.796 1.00 31.23 H new ATOM 0 HG22 THR A 23 -22.488 -9.343 -22.575 1.00 31.23 H new ATOM 0 HG23 THR A 23 -23.223 -10.077 -21.130 1.00 31.23 H new ATOM 357 N VAL A 24 -19.461 -7.173 -19.762 1.00 45.53 N ATOM 358 CA VAL A 24 -18.373 -6.203 -19.812 1.00 25.22 C ATOM 359 C VAL A 24 -18.697 -4.969 -18.977 1.00 73.51 C ATOM 360 O VAL A 24 -19.157 -3.955 -19.501 1.00 42.43 O ATOM 361 CB VAL A 24 -18.075 -5.767 -21.259 1.00 1.24 C ATOM 362 CG1 VAL A 24 -19.362 -5.404 -21.983 1.00 34.23 C ATOM 363 CG2 VAL A 24 -17.099 -4.600 -21.273 1.00 21.14 C ATOM 0 H VAL A 24 -20.133 -7.016 -19.011 1.00 45.53 H new ATOM 0 HA VAL A 24 -17.492 -6.695 -19.400 1.00 25.22 H new ATOM 0 HB VAL A 24 -17.614 -6.603 -21.784 1.00 1.24 H new ATOM 0 HG11 VAL A 24 -19.132 -5.098 -23.004 1.00 34.23 H new ATOM 0 HG12 VAL A 24 -20.024 -6.270 -22.004 1.00 34.23 H new ATOM 0 HG13 VAL A 24 -19.854 -4.583 -21.461 1.00 34.23 H new ATOM 0 HG21 VAL A 24 -16.900 -4.305 -22.303 1.00 21.14 H new ATOM 0 HG22 VAL A 24 -17.531 -3.758 -20.731 1.00 21.14 H new ATOM 0 HG23 VAL A 24 -16.167 -4.900 -20.794 1.00 21.14 H new ATOM 373 N LYS A 25 -18.455 -5.063 -17.674 1.00 72.10 N ATOM 374 CA LYS A 25 -18.720 -3.954 -16.765 1.00 23.54 C ATOM 375 C LYS A 25 -17.481 -3.080 -16.598 1.00 20.11 C ATOM 376 O LYS A 25 -17.531 -2.033 -15.953 1.00 15.13 O ATOM 377 CB LYS A 25 -19.171 -4.483 -15.401 1.00 52.12 C ATOM 378 CG LYS A 25 -19.707 -3.403 -14.477 1.00 43.12 C ATOM 379 CD LYS A 25 -21.065 -3.778 -13.909 1.00 20.32 C ATOM 380 CE LYS A 25 -22.120 -3.868 -15.000 1.00 54.13 C ATOM 381 NZ LYS A 25 -23.179 -2.834 -14.835 1.00 1.44 N ATOM 0 H LYS A 25 -18.076 -5.896 -17.224 1.00 72.10 H new ATOM 0 HA LYS A 25 -19.517 -3.347 -17.195 1.00 23.54 H new ATOM 0 HB2 LYS A 25 -19.943 -5.238 -15.551 1.00 52.12 H new ATOM 0 HB3 LYS A 25 -18.330 -4.979 -14.917 1.00 52.12 H new ATOM 0 HG2 LYS A 25 -19.003 -3.239 -13.661 1.00 43.12 H new ATOM 0 HG3 LYS A 25 -19.787 -2.463 -15.023 1.00 43.12 H new ATOM 0 HD2 LYS A 25 -20.993 -4.735 -13.392 1.00 20.32 H new ATOM 0 HD3 LYS A 25 -21.368 -3.038 -13.169 1.00 20.32 H new ATOM 0 HE2 LYS A 25 -21.646 -3.750 -15.974 1.00 54.13 H new ATOM 0 HE3 LYS A 25 -22.574 -4.859 -14.985 1.00 54.13 H new ATOM 0 HZ1 LYS A 25 -23.879 -2.929 -15.598 1.00 1.44 H new ATOM 0 HZ2 LYS A 25 -23.649 -2.962 -13.916 1.00 1.44 H new ATOM 0 HZ3 LYS A 25 -22.749 -1.888 -14.875 1.00 1.44 H new ATOM 395 N TRP A 26 -16.372 -3.516 -17.184 1.00 41.10 N ATOM 396 CA TRP A 26 -15.121 -2.771 -17.101 1.00 65.30 C ATOM 397 C TRP A 26 -15.033 -1.998 -15.790 1.00 53.31 C ATOM 398 O TRP A 26 -15.515 -0.869 -15.692 1.00 43.41 O ATOM 399 CB TRP A 26 -14.996 -1.810 -18.284 1.00 41.21 C ATOM 400 CG TRP A 26 -15.637 -0.478 -18.037 1.00 54.12 C ATOM 401 CD1 TRP A 26 -16.975 -0.206 -18.005 1.00 53.11 C ATOM 402 CD2 TRP A 26 -14.968 0.763 -17.790 1.00 4.11 C ATOM 403 NE1 TRP A 26 -17.178 1.130 -17.753 1.00 24.52 N ATOM 404 CE2 TRP A 26 -15.962 1.746 -17.616 1.00 21.31 C ATOM 405 CE3 TRP A 26 -13.625 1.140 -17.696 1.00 71.43 C ATOM 406 CZ2 TRP A 26 -15.654 3.078 -17.356 1.00 3.25 C ATOM 407 CZ3 TRP A 26 -13.321 2.463 -17.438 1.00 61.41 C ATOM 408 CH2 TRP A 26 -14.331 3.419 -17.269 1.00 71.23 C ATOM 0 H TRP A 26 -16.313 -4.381 -17.721 1.00 41.10 H new ATOM 0 HA TRP A 26 -14.299 -3.486 -17.135 1.00 65.30 H new ATOM 0 HB2 TRP A 26 -13.941 -1.661 -18.512 1.00 41.21 H new ATOM 0 HB3 TRP A 26 -15.450 -2.266 -19.163 1.00 41.21 H new ATOM 0 HD1 TRP A 26 -17.759 -0.934 -18.156 1.00 53.11 H new ATOM 0 HE1 TRP A 26 -18.086 1.588 -17.680 1.00 24.52 H new ATOM 0 HE3 TRP A 26 -12.839 0.410 -17.823 1.00 71.43 H new ATOM 0 HZ2 TRP A 26 -16.431 3.817 -17.227 1.00 3.25 H new ATOM 0 HZ3 TRP A 26 -12.287 2.765 -17.365 1.00 61.41 H new ATOM 0 HH2 TRP A 26 -14.061 4.445 -17.066 1.00 71.23 H new ATOM 419 N ILE A 27 -14.417 -2.612 -14.786 1.00 2.42 N ATOM 420 CA ILE A 27 -14.266 -1.979 -13.481 1.00 51.34 C ATOM 421 C ILE A 27 -12.805 -1.646 -13.197 1.00 72.42 C ATOM 422 O ILE A 27 -11.951 -2.532 -13.161 1.00 34.52 O ATOM 423 CB ILE A 27 -14.805 -2.878 -12.354 1.00 31.25 C ATOM 424 CG1 ILE A 27 -15.809 -3.888 -12.913 1.00 31.31 C ATOM 425 CG2 ILE A 27 -15.447 -2.033 -11.263 1.00 70.43 C ATOM 426 CD1 ILE A 27 -15.173 -5.181 -13.374 1.00 2.13 C ATOM 0 H ILE A 27 -14.014 -3.547 -14.851 1.00 2.42 H new ATOM 0 HA ILE A 27 -14.847 -1.057 -13.508 1.00 51.34 H new ATOM 0 HB ILE A 27 -13.971 -3.427 -11.918 1.00 31.25 H new ATOM 0 HG12 ILE A 27 -16.552 -4.111 -12.147 1.00 31.31 H new ATOM 0 HG13 ILE A 27 -16.340 -3.435 -13.750 1.00 31.31 H new ATOM 0 HG21 ILE A 27 -15.823 -2.683 -10.473 1.00 70.43 H new ATOM 0 HG22 ILE A 27 -14.706 -1.350 -10.848 1.00 70.43 H new ATOM 0 HG23 ILE A 27 -16.272 -1.460 -11.685 1.00 70.43 H new ATOM 0 HD11 ILE A 27 -15.944 -5.849 -13.758 1.00 2.13 H new ATOM 0 HD12 ILE A 27 -14.450 -4.970 -14.162 1.00 2.13 H new ATOM 0 HD13 ILE A 27 -14.666 -5.657 -12.534 1.00 2.13 H new ATOM 438 N VAL A 28 -12.525 -0.363 -12.994 1.00 45.02 N ATOM 439 CA VAL A 28 -11.167 0.087 -12.710 1.00 12.12 C ATOM 440 C VAL A 28 -10.992 0.404 -11.229 1.00 15.51 C ATOM 441 O VAL A 28 -11.548 1.379 -10.722 1.00 51.31 O ATOM 442 CB VAL A 28 -10.805 1.335 -13.537 1.00 65.52 C ATOM 443 CG1 VAL A 28 -9.298 1.545 -13.553 1.00 52.44 C ATOM 444 CG2 VAL A 28 -11.349 1.212 -14.952 1.00 72.43 C ATOM 0 H VAL A 28 -13.220 0.383 -13.021 1.00 45.02 H new ATOM 0 HA VAL A 28 -10.499 -0.729 -12.986 1.00 12.12 H new ATOM 0 HB VAL A 28 -11.265 2.206 -13.070 1.00 65.52 H new ATOM 0 HG11 VAL A 28 -9.060 2.431 -14.142 1.00 52.44 H new ATOM 0 HG12 VAL A 28 -8.939 1.680 -12.533 1.00 52.44 H new ATOM 0 HG13 VAL A 28 -8.814 0.675 -13.996 1.00 52.44 H new ATOM 0 HG21 VAL A 28 -11.084 2.102 -15.522 1.00 72.43 H new ATOM 0 HG22 VAL A 28 -10.919 0.333 -15.432 1.00 72.43 H new ATOM 0 HG23 VAL A 28 -12.434 1.113 -14.917 1.00 72.43 H new ATOM 454 N PHE A 29 -10.216 -0.425 -10.539 1.00 52.23 N ATOM 455 CA PHE A 29 -9.968 -0.233 -9.115 1.00 61.22 C ATOM 456 C PHE A 29 -8.528 0.209 -8.869 1.00 15.42 C ATOM 457 O PHE A 29 -7.608 -0.215 -9.567 1.00 42.04 O ATOM 458 CB PHE A 29 -10.255 -1.525 -8.347 1.00 64.34 C ATOM 459 CG PHE A 29 -9.433 -2.694 -8.812 1.00 2.50 C ATOM 460 CD1 PHE A 29 -9.827 -3.442 -9.909 1.00 41.04 C ATOM 461 CD2 PHE A 29 -8.266 -3.043 -8.152 1.00 1.13 C ATOM 462 CE1 PHE A 29 -9.073 -4.518 -10.338 1.00 41.13 C ATOM 463 CE2 PHE A 29 -7.507 -4.118 -8.576 1.00 54.43 C ATOM 464 CZ PHE A 29 -7.911 -4.855 -9.672 1.00 31.42 C ATOM 0 H PHE A 29 -9.748 -1.236 -10.943 1.00 52.23 H new ATOM 0 HA PHE A 29 -10.636 0.550 -8.757 1.00 61.22 H new ATOM 0 HB2 PHE A 29 -10.067 -1.357 -7.287 1.00 64.34 H new ATOM 0 HB3 PHE A 29 -11.312 -1.771 -8.448 1.00 64.34 H new ATOM 0 HD1 PHE A 29 -10.734 -3.182 -10.435 1.00 41.04 H new ATOM 0 HD2 PHE A 29 -7.945 -2.468 -7.296 1.00 1.13 H new ATOM 0 HE1 PHE A 29 -9.392 -5.095 -11.193 1.00 41.13 H new ATOM 0 HE2 PHE A 29 -6.600 -4.381 -8.051 1.00 54.43 H new ATOM 0 HZ PHE A 29 -7.319 -5.694 -10.008 1.00 31.42 H new ATOM 474 N LYS A 30 -8.342 1.066 -7.870 1.00 50.04 N ATOM 475 CA LYS A 30 -7.016 1.567 -7.529 1.00 40.22 C ATOM 476 C LYS A 30 -6.573 1.048 -6.165 1.00 44.41 C ATOM 477 O LYS A 30 -7.326 0.358 -5.479 1.00 33.15 O ATOM 478 CB LYS A 30 -7.011 3.098 -7.531 1.00 24.40 C ATOM 479 CG LYS A 30 -7.876 3.710 -6.443 1.00 5.10 C ATOM 480 CD LYS A 30 -7.533 5.173 -6.215 1.00 65.33 C ATOM 481 CE LYS A 30 -7.806 5.592 -4.779 1.00 52.42 C ATOM 482 NZ LYS A 30 -7.098 6.854 -4.425 1.00 61.43 N ATOM 0 H LYS A 30 -9.093 1.428 -7.283 1.00 50.04 H new ATOM 0 HA LYS A 30 -6.314 1.207 -8.281 1.00 40.22 H new ATOM 0 HB2 LYS A 30 -5.986 3.450 -7.410 1.00 24.40 H new ATOM 0 HB3 LYS A 30 -7.357 3.453 -8.502 1.00 24.40 H new ATOM 0 HG2 LYS A 30 -8.927 3.620 -6.719 1.00 5.10 H new ATOM 0 HG3 LYS A 30 -7.742 3.155 -5.515 1.00 5.10 H new ATOM 0 HD2 LYS A 30 -6.482 5.343 -6.451 1.00 65.33 H new ATOM 0 HD3 LYS A 30 -8.117 5.795 -6.894 1.00 65.33 H new ATOM 0 HE2 LYS A 30 -8.878 5.725 -4.637 1.00 52.42 H new ATOM 0 HE3 LYS A 30 -7.491 4.797 -4.103 1.00 52.42 H new ATOM 0 HZ1 LYS A 30 -7.337 7.124 -3.449 1.00 61.43 H new ATOM 0 HZ2 LYS A 30 -6.071 6.710 -4.503 1.00 61.43 H new ATOM 0 HZ3 LYS A 30 -7.391 7.611 -5.075 1.00 61.43 H new ATOM 496 N ILE A 31 -5.347 1.386 -5.778 1.00 51.44 N ATOM 497 CA ILE A 31 -4.806 0.956 -4.495 1.00 43.42 C ATOM 498 C ILE A 31 -4.219 2.134 -3.724 1.00 20.32 C ATOM 499 O ILE A 31 -3.169 2.663 -4.086 1.00 1.35 O ATOM 500 CB ILE A 31 -3.718 -0.119 -4.675 1.00 45.50 C ATOM 501 CG1 ILE A 31 -2.785 0.256 -5.829 1.00 14.41 C ATOM 502 CG2 ILE A 31 -4.352 -1.479 -4.920 1.00 75.15 C ATOM 503 CD1 ILE A 31 -1.504 -0.548 -5.857 1.00 13.45 C ATOM 0 H ILE A 31 -4.710 1.956 -6.335 1.00 51.44 H new ATOM 0 HA ILE A 31 -5.635 0.531 -3.929 1.00 43.42 H new ATOM 0 HB ILE A 31 -3.129 -0.175 -3.760 1.00 45.50 H new ATOM 0 HG12 ILE A 31 -3.313 0.116 -6.772 1.00 14.41 H new ATOM 0 HG13 ILE A 31 -2.538 1.315 -5.756 1.00 14.41 H new ATOM 0 HG21 ILE A 31 -3.570 -2.228 -5.045 1.00 75.15 H new ATOM 0 HG22 ILE A 31 -4.978 -1.747 -4.069 1.00 75.15 H new ATOM 0 HG23 ILE A 31 -4.963 -1.438 -5.822 1.00 75.15 H new ATOM 0 HD11 ILE A 31 -0.892 -0.228 -6.701 1.00 13.45 H new ATOM 0 HD12 ILE A 31 -0.954 -0.389 -4.929 1.00 13.45 H new ATOM 0 HD13 ILE A 31 -1.741 -1.607 -5.961 1.00 13.45 H new ATOM 515 N GLU A 32 -4.904 2.536 -2.658 1.00 51.41 N ATOM 516 CA GLU A 32 -4.449 3.651 -1.835 1.00 35.11 C ATOM 517 C GLU A 32 -3.340 3.209 -0.886 1.00 24.35 C ATOM 518 O GLU A 32 -2.798 2.112 -1.015 1.00 61.14 O ATOM 519 CB GLU A 32 -5.617 4.233 -1.036 1.00 12.31 C ATOM 520 CG GLU A 32 -5.696 5.750 -1.092 1.00 34.35 C ATOM 521 CD GLU A 32 -5.979 6.369 0.263 1.00 15.23 C ATOM 522 OE1 GLU A 32 -6.622 5.700 1.100 1.00 42.55 O ATOM 523 OE2 GLU A 32 -5.558 7.523 0.487 1.00 41.31 O ATOM 0 H GLU A 32 -5.775 2.107 -2.344 1.00 51.41 H new ATOM 0 HA GLU A 32 -4.052 4.420 -2.497 1.00 35.11 H new ATOM 0 HB2 GLU A 32 -6.550 3.815 -1.415 1.00 12.31 H new ATOM 0 HB3 GLU A 32 -5.526 3.920 0.004 1.00 12.31 H new ATOM 0 HG2 GLU A 32 -4.757 6.145 -1.479 1.00 34.35 H new ATOM 0 HG3 GLU A 32 -6.478 6.044 -1.792 1.00 34.35 H new ATOM 530 N ASN A 33 -3.007 4.072 0.069 1.00 64.31 N ATOM 531 CA ASN A 33 -1.961 3.771 1.040 1.00 43.41 C ATOM 532 C ASN A 33 -2.371 2.610 1.940 1.00 73.11 C ATOM 533 O ASN A 33 -2.974 2.810 2.995 1.00 75.31 O ATOM 534 CB ASN A 33 -1.655 5.006 1.890 1.00 51.53 C ATOM 535 CG ASN A 33 -0.213 5.044 2.358 1.00 72.30 C ATOM 536 OD1 ASN A 33 0.302 4.063 2.894 1.00 24.14 O ATOM 537 ND2 ASN A 33 0.445 6.179 2.157 1.00 51.43 N ATOM 0 H ASN A 33 -3.446 4.985 0.191 1.00 64.31 H new ATOM 0 HA ASN A 33 -1.064 3.483 0.492 1.00 43.41 H new ATOM 0 HB2 ASN A 33 -1.870 5.904 1.311 1.00 51.53 H new ATOM 0 HB3 ASN A 33 -2.316 5.020 2.757 1.00 51.53 H new ATOM 0 HD21 ASN A 33 1.418 6.263 2.451 1.00 51.43 H new ATOM 0 HD22 ASN A 33 -0.022 6.967 1.709 1.00 51.43 H new ATOM 544 N THR A 34 -2.040 1.394 1.516 1.00 3.13 N ATOM 545 CA THR A 34 -2.374 0.200 2.283 1.00 43.25 C ATOM 546 C THR A 34 -3.876 -0.060 2.268 1.00 64.10 C ATOM 547 O THR A 34 -4.484 -0.304 3.310 1.00 13.31 O ATOM 548 CB THR A 34 -1.899 0.319 3.743 1.00 22.00 C ATOM 549 OG1 THR A 34 -0.664 1.042 3.800 1.00 54.44 O ATOM 550 CG2 THR A 34 -1.715 -1.057 4.366 1.00 53.31 C ATOM 0 H THR A 34 -1.541 1.210 0.646 1.00 3.13 H new ATOM 0 HA THR A 34 -1.859 -0.635 1.809 1.00 43.25 H new ATOM 0 HB THR A 34 -2.661 0.857 4.306 1.00 22.00 H new ATOM 0 HG1 THR A 34 -0.370 1.114 4.732 1.00 54.44 H new ATOM 0 HG21 THR A 34 -1.379 -0.948 5.397 1.00 53.31 H new ATOM 0 HG22 THR A 34 -2.663 -1.594 4.348 1.00 53.31 H new ATOM 0 HG23 THR A 34 -0.971 -1.616 3.799 1.00 53.31 H new ATOM 558 N LYS A 35 -4.469 -0.008 1.080 1.00 1.23 N ATOM 559 CA LYS A 35 -5.900 -0.240 0.929 1.00 54.03 C ATOM 560 C LYS A 35 -6.294 -0.268 -0.545 1.00 21.32 C ATOM 561 O LYS A 35 -5.566 0.235 -1.401 1.00 23.31 O ATOM 562 CB LYS A 35 -6.694 0.846 1.659 1.00 71.23 C ATOM 563 CG LYS A 35 -8.184 0.559 1.740 1.00 5.43 C ATOM 564 CD LYS A 35 -8.458 -0.782 2.399 1.00 12.13 C ATOM 565 CE LYS A 35 -7.879 -0.841 3.805 1.00 75.44 C ATOM 566 NZ LYS A 35 -8.379 0.273 4.658 1.00 65.34 N ATOM 0 H LYS A 35 -3.980 0.193 0.208 1.00 1.23 H new ATOM 0 HA LYS A 35 -6.134 -1.210 1.368 1.00 54.03 H new ATOM 0 HB2 LYS A 35 -6.298 0.957 2.669 1.00 71.23 H new ATOM 0 HB3 LYS A 35 -6.543 1.798 1.151 1.00 71.23 H new ATOM 0 HG2 LYS A 35 -8.678 1.350 2.304 1.00 5.43 H new ATOM 0 HG3 LYS A 35 -8.612 0.567 0.738 1.00 5.43 H new ATOM 0 HD2 LYS A 35 -9.533 -0.956 2.440 1.00 12.13 H new ATOM 0 HD3 LYS A 35 -8.029 -1.580 1.794 1.00 12.13 H new ATOM 0 HE2 LYS A 35 -8.138 -1.795 4.265 1.00 75.44 H new ATOM 0 HE3 LYS A 35 -6.791 -0.798 3.752 1.00 75.44 H new ATOM 0 HZ1 LYS A 35 -8.115 0.097 5.648 1.00 65.34 H new ATOM 0 HZ2 LYS A 35 -7.957 1.169 4.341 1.00 65.34 H new ATOM 0 HZ3 LYS A 35 -9.414 0.332 4.581 1.00 65.34 H new ATOM 580 N ILE A 36 -7.449 -0.858 -0.833 1.00 14.24 N ATOM 581 CA ILE A 36 -7.940 -0.948 -2.202 1.00 62.52 C ATOM 582 C ILE A 36 -9.323 -0.321 -2.333 1.00 54.14 C ATOM 583 O ILE A 36 -10.140 -0.395 -1.415 1.00 52.13 O ATOM 584 CB ILE A 36 -8.004 -2.411 -2.681 1.00 52.34 C ATOM 585 CG1 ILE A 36 -6.597 -3.007 -2.759 1.00 74.31 C ATOM 586 CG2 ILE A 36 -8.697 -2.495 -4.034 1.00 4.15 C ATOM 587 CD1 ILE A 36 -6.552 -4.489 -2.459 1.00 20.14 C ATOM 0 H ILE A 36 -8.062 -1.281 -0.136 1.00 14.24 H new ATOM 0 HA ILE A 36 -7.235 -0.399 -2.827 1.00 62.52 H new ATOM 0 HB ILE A 36 -8.583 -2.989 -1.961 1.00 52.34 H new ATOM 0 HG12 ILE A 36 -6.192 -2.834 -3.756 1.00 74.31 H new ATOM 0 HG13 ILE A 36 -5.949 -2.482 -2.057 1.00 74.31 H new ATOM 0 HG21 ILE A 36 -8.735 -3.535 -4.360 1.00 4.15 H new ATOM 0 HG22 ILE A 36 -9.711 -2.105 -3.948 1.00 4.15 H new ATOM 0 HG23 ILE A 36 -8.142 -1.906 -4.764 1.00 4.15 H new ATOM 0 HD11 ILE A 36 -5.524 -4.844 -2.533 1.00 20.14 H new ATOM 0 HD12 ILE A 36 -6.926 -4.668 -1.451 1.00 20.14 H new ATOM 0 HD13 ILE A 36 -7.173 -5.025 -3.177 1.00 20.14 H new ATOM 599 N VAL A 37 -9.581 0.296 -3.482 1.00 41.04 N ATOM 600 CA VAL A 37 -10.867 0.934 -3.736 1.00 1.41 C ATOM 601 C VAL A 37 -11.212 0.904 -5.221 1.00 12.25 C ATOM 602 O VAL A 37 -10.397 0.502 -6.051 1.00 2.33 O ATOM 603 CB VAL A 37 -10.874 2.395 -3.248 1.00 13.21 C ATOM 604 CG1 VAL A 37 -10.816 2.451 -1.729 1.00 40.30 C ATOM 605 CG2 VAL A 37 -9.717 3.168 -3.863 1.00 73.21 C ATOM 0 H VAL A 37 -8.916 0.367 -4.252 1.00 41.04 H new ATOM 0 HA VAL A 37 -11.616 0.369 -3.181 1.00 1.41 H new ATOM 0 HB VAL A 37 -11.805 2.863 -3.570 1.00 13.21 H new ATOM 0 HG11 VAL A 37 -10.822 3.491 -1.403 1.00 40.30 H new ATOM 0 HG12 VAL A 37 -11.681 1.935 -1.313 1.00 40.30 H new ATOM 0 HG13 VAL A 37 -9.903 1.967 -1.382 1.00 40.30 H new ATOM 0 HG21 VAL A 37 -9.738 4.198 -3.507 1.00 73.21 H new ATOM 0 HG22 VAL A 37 -8.774 2.703 -3.574 1.00 73.21 H new ATOM 0 HG23 VAL A 37 -9.809 3.157 -4.949 1.00 73.21 H new ATOM 615 N VAL A 38 -12.427 1.333 -5.549 1.00 20.32 N ATOM 616 CA VAL A 38 -12.881 1.357 -6.934 1.00 63.32 C ATOM 617 C VAL A 38 -12.937 2.783 -7.469 1.00 53.14 C ATOM 618 O VAL A 38 -13.245 3.720 -6.734 1.00 4.33 O ATOM 619 CB VAL A 38 -14.271 0.710 -7.081 1.00 23.41 C ATOM 620 CG1 VAL A 38 -15.213 1.217 -6.000 1.00 22.23 C ATOM 621 CG2 VAL A 38 -14.840 0.980 -8.465 1.00 72.54 C ATOM 0 H VAL A 38 -13.114 1.669 -4.874 1.00 20.32 H new ATOM 0 HA VAL A 38 -12.158 0.783 -7.514 1.00 63.32 H new ATOM 0 HB VAL A 38 -14.165 -0.368 -6.961 1.00 23.41 H new ATOM 0 HG11 VAL A 38 -16.190 0.749 -6.120 1.00 22.23 H new ATOM 0 HG12 VAL A 38 -14.809 0.967 -5.019 1.00 22.23 H new ATOM 0 HG13 VAL A 38 -15.316 2.299 -6.085 1.00 22.23 H new ATOM 0 HG21 VAL A 38 -15.822 0.516 -8.551 1.00 72.54 H new ATOM 0 HG22 VAL A 38 -14.932 2.055 -8.617 1.00 72.54 H new ATOM 0 HG23 VAL A 38 -14.174 0.563 -9.220 1.00 72.54 H new ATOM 631 N GLU A 39 -12.639 2.939 -8.755 1.00 40.25 N ATOM 632 CA GLU A 39 -12.656 4.252 -9.389 1.00 2.41 C ATOM 633 C GLU A 39 -13.734 4.323 -10.467 1.00 25.30 C ATOM 634 O GLU A 39 -14.582 5.215 -10.456 1.00 43.23 O ATOM 635 CB GLU A 39 -11.288 4.567 -9.998 1.00 60.24 C ATOM 636 CG GLU A 39 -10.201 4.804 -8.964 1.00 25.40 C ATOM 637 CD GLU A 39 -10.018 6.273 -8.636 1.00 23.45 C ATOM 638 OE1 GLU A 39 -9.578 7.029 -9.527 1.00 21.21 O ATOM 639 OE2 GLU A 39 -10.314 6.666 -7.488 1.00 62.10 O ATOM 0 H GLU A 39 -12.383 2.173 -9.378 1.00 40.25 H new ATOM 0 HA GLU A 39 -12.884 4.993 -8.623 1.00 2.41 H new ATOM 0 HB2 GLU A 39 -10.989 3.742 -10.644 1.00 60.24 H new ATOM 0 HB3 GLU A 39 -11.376 5.451 -10.630 1.00 60.24 H new ATOM 0 HG2 GLU A 39 -10.447 4.260 -8.052 1.00 25.40 H new ATOM 0 HG3 GLU A 39 -9.259 4.398 -9.333 1.00 25.40 H new ATOM 646 N LYS A 40 -13.694 3.375 -11.398 1.00 4.33 N ATOM 647 CA LYS A 40 -14.666 3.327 -12.483 1.00 44.24 C ATOM 648 C LYS A 40 -15.518 2.065 -12.395 1.00 11.41 C ATOM 649 O LYS A 40 -15.048 1.017 -11.954 1.00 23.23 O ATOM 650 CB LYS A 40 -13.953 3.380 -13.837 1.00 23.15 C ATOM 651 CG LYS A 40 -13.700 4.792 -14.336 1.00 70.34 C ATOM 652 CD LYS A 40 -12.767 5.553 -13.410 1.00 23.33 C ATOM 653 CE LYS A 40 -11.428 4.845 -13.263 1.00 14.04 C ATOM 654 NZ LYS A 40 -10.346 5.784 -12.855 1.00 75.41 N ATOM 0 H LYS A 40 -12.998 2.630 -11.422 1.00 4.33 H new ATOM 0 HA LYS A 40 -15.321 4.194 -12.389 1.00 44.24 H new ATOM 0 HB2 LYS A 40 -13.001 2.856 -13.758 1.00 23.15 H new ATOM 0 HB3 LYS A 40 -14.551 2.845 -14.574 1.00 23.15 H new ATOM 0 HG2 LYS A 40 -13.269 4.753 -15.336 1.00 70.34 H new ATOM 0 HG3 LYS A 40 -14.647 5.325 -14.418 1.00 70.34 H new ATOM 0 HD2 LYS A 40 -12.607 6.559 -13.799 1.00 23.33 H new ATOM 0 HD3 LYS A 40 -13.233 5.660 -12.430 1.00 23.33 H new ATOM 0 HE2 LYS A 40 -11.517 4.050 -12.523 1.00 14.04 H new ATOM 0 HE3 LYS A 40 -11.161 4.372 -14.208 1.00 14.04 H new ATOM 0 HZ1 LYS A 40 -9.600 5.790 -13.579 1.00 75.41 H new ATOM 0 HZ2 LYS A 40 -10.738 6.742 -12.754 1.00 75.41 H new ATOM 0 HZ3 LYS A 40 -9.944 5.477 -11.946 1.00 75.41 H new ATOM 668 N ASP A 41 -16.773 2.174 -12.818 1.00 64.21 N ATOM 669 CA ASP A 41 -17.690 1.041 -12.789 1.00 30.50 C ATOM 670 C ASP A 41 -19.072 1.447 -13.290 1.00 51.25 C ATOM 671 O ASP A 41 -19.614 2.474 -12.884 1.00 1.12 O ATOM 672 CB ASP A 41 -17.794 0.477 -11.371 1.00 3.33 C ATOM 673 CG ASP A 41 -19.041 0.950 -10.650 1.00 2.12 C ATOM 674 OD1 ASP A 41 -18.996 2.039 -10.040 1.00 74.21 O ATOM 675 OD2 ASP A 41 -20.061 0.231 -10.695 1.00 31.14 O ATOM 0 H ASP A 41 -17.178 3.035 -13.185 1.00 64.21 H new ATOM 0 HA ASP A 41 -17.295 0.270 -13.450 1.00 30.50 H new ATOM 0 HB2 ASP A 41 -17.795 -0.612 -11.415 1.00 3.33 H new ATOM 0 HB3 ASP A 41 -16.914 0.772 -10.800 1.00 3.33 H new ATOM 680 N GLY A 42 -19.637 0.634 -14.178 1.00 12.01 N ATOM 681 CA GLY A 42 -20.951 0.927 -14.721 1.00 64.24 C ATOM 682 C GLY A 42 -21.024 0.692 -16.217 1.00 55.42 C ATOM 683 O GLY A 42 -21.718 1.415 -16.933 1.00 44.33 O ATOM 0 H GLY A 42 -19.208 -0.222 -14.531 1.00 12.01 H new ATOM 0 HA2 GLY A 42 -21.694 0.305 -14.222 1.00 64.24 H new ATOM 0 HA3 GLY A 42 -21.207 1.965 -14.506 1.00 64.24 H new ATOM 687 N LYS A 43 -20.307 -0.320 -16.692 1.00 21.11 N ATOM 688 CA LYS A 43 -20.293 -0.649 -18.112 1.00 42.34 C ATOM 689 C LYS A 43 -19.727 0.506 -18.932 1.00 42.25 C ATOM 690 O LYS A 43 -19.798 1.664 -18.523 1.00 53.34 O ATOM 691 CB LYS A 43 -21.706 -0.985 -18.593 1.00 72.12 C ATOM 692 CG LYS A 43 -21.778 -2.246 -19.437 1.00 44.34 C ATOM 693 CD LYS A 43 -23.202 -2.763 -19.547 1.00 60.24 C ATOM 694 CE LYS A 43 -23.397 -4.035 -18.737 1.00 21.41 C ATOM 695 NZ LYS A 43 -22.633 -5.179 -19.307 1.00 65.12 N ATOM 0 H LYS A 43 -19.727 -0.928 -16.113 1.00 21.11 H new ATOM 0 HA LYS A 43 -19.652 -1.519 -18.251 1.00 42.34 H new ATOM 0 HB2 LYS A 43 -22.358 -1.100 -17.727 1.00 72.12 H new ATOM 0 HB3 LYS A 43 -22.092 -0.147 -19.173 1.00 72.12 H new ATOM 0 HG2 LYS A 43 -21.387 -2.041 -20.433 1.00 44.34 H new ATOM 0 HG3 LYS A 43 -21.144 -3.016 -18.998 1.00 44.34 H new ATOM 0 HD2 LYS A 43 -23.896 -1.998 -19.198 1.00 60.24 H new ATOM 0 HD3 LYS A 43 -23.440 -2.956 -20.593 1.00 60.24 H new ATOM 0 HE2 LYS A 43 -23.079 -3.863 -17.709 1.00 21.41 H new ATOM 0 HE3 LYS A 43 -24.457 -4.286 -18.705 1.00 21.41 H new ATOM 0 HZ1 LYS A 43 -23.209 -6.043 -19.252 1.00 65.12 H new ATOM 0 HZ2 LYS A 43 -22.401 -4.981 -20.301 1.00 65.12 H new ATOM 0 HZ3 LYS A 43 -21.755 -5.313 -18.767 1.00 65.12 H new ATOM 709 N GLY A 44 -19.165 0.183 -20.094 1.00 33.45 N ATOM 710 CA GLY A 44 -18.597 1.205 -20.953 1.00 21.50 C ATOM 711 C GLY A 44 -17.749 0.621 -22.066 1.00 33.53 C ATOM 712 O GLY A 44 -17.552 1.254 -23.102 1.00 23.42 O ATOM 0 H GLY A 44 -19.093 -0.768 -20.455 1.00 33.45 H new ATOM 0 HA2 GLY A 44 -19.401 1.799 -21.387 1.00 21.50 H new ATOM 0 HA3 GLY A 44 -17.988 1.882 -20.354 1.00 21.50 H new ATOM 716 N ASN A 45 -17.246 -0.590 -21.850 1.00 65.44 N ATOM 717 CA ASN A 45 -16.412 -1.259 -22.843 1.00 71.01 C ATOM 718 C ASN A 45 -15.031 -0.616 -22.916 1.00 5.24 C ATOM 719 O ASN A 45 -14.698 0.257 -22.114 1.00 54.35 O ATOM 720 CB ASN A 45 -17.082 -1.211 -24.218 1.00 31.13 C ATOM 721 CG ASN A 45 -18.588 -1.371 -24.133 1.00 2.31 C ATOM 722 OD1 ASN A 45 -19.329 -0.388 -24.142 1.00 41.30 O ATOM 723 ND2 ASN A 45 -19.047 -2.614 -24.049 1.00 50.05 N ATOM 0 H ASN A 45 -17.401 -1.128 -20.997 1.00 65.44 H new ATOM 0 HA ASN A 45 -16.293 -2.299 -22.540 1.00 71.01 H new ATOM 0 HB2 ASN A 45 -16.847 -0.263 -24.701 1.00 31.13 H new ATOM 0 HB3 ASN A 45 -16.670 -2.000 -24.848 1.00 31.13 H new ATOM 0 HD21 ASN A 45 -20.051 -2.784 -23.989 1.00 50.05 H new ATOM 0 HD22 ASN A 45 -18.396 -3.399 -24.045 1.00 50.05 H new ATOM 730 N ALA A 46 -14.230 -1.053 -23.882 1.00 71.40 N ATOM 731 CA ALA A 46 -12.886 -0.519 -24.061 1.00 41.13 C ATOM 732 C ALA A 46 -12.919 0.991 -24.275 1.00 34.41 C ATOM 733 O ALA A 46 -11.933 1.684 -24.027 1.00 42.21 O ATOM 734 CB ALA A 46 -12.197 -1.204 -25.232 1.00 71.40 C ATOM 0 H ALA A 46 -14.489 -1.776 -24.553 1.00 71.40 H new ATOM 0 HA ALA A 46 -12.319 -0.719 -23.152 1.00 41.13 H new ATOM 0 HB1 ALA A 46 -11.194 -0.795 -25.354 1.00 71.40 H new ATOM 0 HB2 ALA A 46 -12.131 -2.275 -25.040 1.00 71.40 H new ATOM 0 HB3 ALA A 46 -12.771 -1.033 -26.143 1.00 71.40 H new ATOM 740 N ASP A 47 -14.059 1.493 -24.736 1.00 73.14 N ATOM 741 CA ASP A 47 -14.221 2.921 -24.983 1.00 52.02 C ATOM 742 C ASP A 47 -13.850 3.732 -23.745 1.00 72.23 C ATOM 743 O ASP A 47 -13.045 4.659 -23.818 1.00 50.43 O ATOM 744 CB ASP A 47 -15.661 3.229 -25.397 1.00 70.21 C ATOM 745 CG ASP A 47 -15.763 4.475 -26.255 1.00 32.15 C ATOM 746 OD1 ASP A 47 -14.719 4.931 -26.766 1.00 61.21 O ATOM 747 OD2 ASP A 47 -16.888 4.994 -26.415 1.00 25.33 O ATOM 0 H ASP A 47 -14.885 0.932 -24.946 1.00 73.14 H new ATOM 0 HA ASP A 47 -13.550 3.203 -25.795 1.00 52.02 H new ATOM 0 HB2 ASP A 47 -16.068 2.379 -25.945 1.00 70.21 H new ATOM 0 HB3 ASP A 47 -16.274 3.355 -24.504 1.00 70.21 H new ATOM 752 N GLU A 48 -14.444 3.375 -22.611 1.00 12.43 N ATOM 753 CA GLU A 48 -14.177 4.072 -21.358 1.00 21.22 C ATOM 754 C GLU A 48 -12.920 3.524 -20.688 1.00 44.34 C ATOM 755 O GLU A 48 -12.142 4.273 -20.096 1.00 61.12 O ATOM 756 CB GLU A 48 -15.371 3.940 -20.410 1.00 71.23 C ATOM 757 CG GLU A 48 -16.700 4.300 -21.052 1.00 52.13 C ATOM 758 CD GLU A 48 -17.691 4.875 -20.059 1.00 32.01 C ATOM 759 OE1 GLU A 48 -18.433 4.085 -19.437 1.00 41.43 O ATOM 760 OE2 GLU A 48 -17.725 6.113 -19.903 1.00 53.42 O ATOM 0 H GLU A 48 -15.112 2.608 -22.534 1.00 12.43 H new ATOM 0 HA GLU A 48 -14.018 5.126 -21.586 1.00 21.22 H new ATOM 0 HB2 GLU A 48 -15.421 2.915 -20.042 1.00 71.23 H new ATOM 0 HB3 GLU A 48 -15.210 4.582 -19.544 1.00 71.23 H new ATOM 0 HG2 GLU A 48 -16.530 5.023 -21.850 1.00 52.13 H new ATOM 0 HG3 GLU A 48 -17.129 3.411 -21.514 1.00 52.13 H new ATOM 767 N PHE A 49 -12.727 2.213 -20.787 1.00 14.14 N ATOM 768 CA PHE A 49 -11.566 1.564 -20.190 1.00 20.21 C ATOM 769 C PHE A 49 -10.271 2.150 -20.744 1.00 3.23 C ATOM 770 O PHE A 49 -9.279 2.279 -20.026 1.00 44.22 O ATOM 771 CB PHE A 49 -11.608 0.056 -20.449 1.00 55.52 C ATOM 772 CG PHE A 49 -10.569 -0.713 -19.686 1.00 4.33 C ATOM 773 CD1 PHE A 49 -9.227 -0.606 -20.016 1.00 52.22 C ATOM 774 CD2 PHE A 49 -10.932 -1.542 -18.637 1.00 72.11 C ATOM 775 CE1 PHE A 49 -8.269 -1.313 -19.316 1.00 24.23 C ATOM 776 CE2 PHE A 49 -9.978 -2.252 -17.933 1.00 1.34 C ATOM 777 CZ PHE A 49 -8.644 -2.136 -18.272 1.00 31.11 C ATOM 0 H PHE A 49 -13.360 1.579 -21.275 1.00 14.14 H new ATOM 0 HA PHE A 49 -11.595 1.742 -19.115 1.00 20.21 H new ATOM 0 HB2 PHE A 49 -12.595 -0.322 -20.185 1.00 55.52 H new ATOM 0 HB3 PHE A 49 -11.472 -0.125 -21.515 1.00 55.52 H new ATOM 0 HD1 PHE A 49 -8.927 0.038 -20.830 1.00 52.22 H new ATOM 0 HD2 PHE A 49 -11.973 -1.635 -18.366 1.00 72.11 H new ATOM 0 HE1 PHE A 49 -7.227 -1.222 -19.585 1.00 24.23 H new ATOM 0 HE2 PHE A 49 -10.275 -2.897 -17.119 1.00 1.34 H new ATOM 0 HZ PHE A 49 -7.896 -2.688 -17.722 1.00 31.11 H new ATOM 787 N ARG A 50 -10.288 2.503 -22.025 1.00 12.01 N ATOM 788 CA ARG A 50 -9.115 3.074 -22.676 1.00 75.12 C ATOM 789 C ARG A 50 -9.085 4.590 -22.509 1.00 52.45 C ATOM 790 O ARG A 50 -8.067 5.233 -22.763 1.00 30.23 O ATOM 791 CB ARG A 50 -9.105 2.713 -24.163 1.00 13.31 C ATOM 792 CG ARG A 50 -9.926 3.659 -25.025 1.00 34.55 C ATOM 793 CD ARG A 50 -9.046 4.684 -25.721 1.00 50.30 C ATOM 794 NE ARG A 50 -9.787 5.459 -26.713 1.00 34.42 N ATOM 795 CZ ARG A 50 -9.281 6.504 -27.357 1.00 52.21 C ATOM 796 NH1 ARG A 50 -8.038 6.898 -27.115 1.00 75.13 N ATOM 797 NH2 ARG A 50 -10.018 7.158 -28.246 1.00 34.12 N ATOM 0 H ARG A 50 -11.101 2.404 -22.633 1.00 12.01 H new ATOM 0 HA ARG A 50 -8.227 2.656 -22.202 1.00 75.12 H new ATOM 0 HB2 ARG A 50 -8.075 2.710 -24.521 1.00 13.31 H new ATOM 0 HB3 ARG A 50 -9.487 1.700 -24.285 1.00 13.31 H new ATOM 0 HG2 ARG A 50 -10.479 3.087 -25.770 1.00 34.55 H new ATOM 0 HG3 ARG A 50 -10.662 4.171 -24.405 1.00 34.55 H new ATOM 0 HD2 ARG A 50 -8.619 5.359 -24.979 1.00 50.30 H new ATOM 0 HD3 ARG A 50 -8.213 4.176 -26.207 1.00 50.30 H new ATOM 0 HE ARG A 50 -10.746 5.182 -26.922 1.00 34.42 H new ATOM 0 HH11 ARG A 50 -7.468 6.398 -26.433 1.00 75.13 H new ATOM 0 HH12 ARG A 50 -7.652 7.701 -27.611 1.00 75.13 H new ATOM 0 HH21 ARG A 50 -10.974 6.858 -28.435 1.00 34.12 H new ATOM 0 HH22 ARG A 50 -9.628 7.961 -28.740 1.00 34.12 H new ATOM 811 N GLY A 51 -10.210 5.156 -22.082 1.00 1.41 N ATOM 812 CA GLY A 51 -10.291 6.592 -21.889 1.00 51.54 C ATOM 813 C GLY A 51 -10.545 6.970 -20.443 1.00 44.25 C ATOM 814 O GLY A 51 -10.946 8.096 -20.150 1.00 74.24 O ATOM 0 H GLY A 51 -11.066 4.646 -21.866 1.00 1.41 H new ATOM 0 HA2 GLY A 51 -9.362 7.053 -22.224 1.00 51.54 H new ATOM 0 HA3 GLY A 51 -11.090 6.995 -22.512 1.00 51.54 H new ATOM 818 N ALA A 52 -10.311 6.027 -19.537 1.00 61.43 N ATOM 819 CA ALA A 52 -10.516 6.266 -18.114 1.00 51.43 C ATOM 820 C ALA A 52 -9.186 6.325 -17.370 1.00 55.10 C ATOM 821 O ALA A 52 -9.058 7.019 -16.361 1.00 13.24 O ATOM 822 CB ALA A 52 -11.408 5.187 -17.520 1.00 74.44 C ATOM 0 H ALA A 52 -9.979 5.089 -19.763 1.00 61.43 H new ATOM 0 HA ALA A 52 -11.009 7.232 -18.001 1.00 51.43 H new ATOM 0 HB1 ALA A 52 -11.552 5.379 -16.457 1.00 74.44 H new ATOM 0 HB2 ALA A 52 -12.374 5.195 -18.024 1.00 74.44 H new ATOM 0 HB3 ALA A 52 -10.938 4.213 -17.652 1.00 74.44 H new ATOM 828 N LEU A 53 -8.199 5.592 -17.873 1.00 54.45 N ATOM 829 CA LEU A 53 -6.878 5.561 -17.256 1.00 32.44 C ATOM 830 C LEU A 53 -6.362 6.973 -17.001 1.00 10.12 C ATOM 831 O LEU A 53 -6.411 7.844 -17.869 1.00 42.33 O ATOM 832 CB LEU A 53 -5.895 4.799 -18.146 1.00 72.13 C ATOM 833 CG LEU A 53 -5.736 3.308 -17.849 1.00 34.55 C ATOM 834 CD1 LEU A 53 -5.251 3.097 -16.423 1.00 22.41 C ATOM 835 CD2 LEU A 53 -7.050 2.575 -18.081 1.00 23.45 C ATOM 0 H LEU A 53 -8.289 5.011 -18.707 1.00 54.45 H new ATOM 0 HA LEU A 53 -6.964 5.048 -16.298 1.00 32.44 H new ATOM 0 HB2 LEU A 53 -6.213 4.910 -19.183 1.00 72.13 H new ATOM 0 HB3 LEU A 53 -4.917 5.272 -18.060 1.00 72.13 H new ATOM 0 HG LEU A 53 -4.989 2.899 -18.530 1.00 34.55 H new ATOM 0 HD11 LEU A 53 -5.144 2.030 -16.229 1.00 22.41 H new ATOM 0 HD12 LEU A 53 -4.287 3.589 -16.290 1.00 22.41 H new ATOM 0 HD13 LEU A 53 -5.974 3.521 -15.726 1.00 22.41 H new ATOM 0 HD21 LEU A 53 -6.918 1.515 -17.865 1.00 23.45 H new ATOM 0 HD22 LEU A 53 -7.817 2.987 -17.425 1.00 23.45 H new ATOM 0 HD23 LEU A 53 -7.357 2.698 -19.120 1.00 23.45 H new ATOM 847 N PRO A 54 -5.853 7.207 -15.782 1.00 70.50 N ATOM 848 CA PRO A 54 -5.315 8.511 -15.385 1.00 50.24 C ATOM 849 C PRO A 54 -4.010 8.842 -16.101 1.00 61.12 C ATOM 850 O PRO A 54 -3.172 7.968 -16.319 1.00 24.31 O ATOM 851 CB PRO A 54 -5.075 8.354 -13.882 1.00 32.22 C ATOM 852 CG PRO A 54 -4.886 6.890 -13.680 1.00 20.04 C ATOM 853 CD PRO A 54 -5.763 6.215 -14.697 1.00 61.44 C ATOM 0 HA PRO A 54 -5.993 9.326 -15.639 1.00 50.24 H new ATOM 0 HB2 PRO A 54 -4.197 8.915 -13.560 1.00 32.22 H new ATOM 0 HB3 PRO A 54 -5.921 8.727 -13.305 1.00 32.22 H new ATOM 0 HG2 PRO A 54 -3.842 6.609 -13.817 1.00 20.04 H new ATOM 0 HG3 PRO A 54 -5.165 6.597 -12.668 1.00 20.04 H new ATOM 0 HD2 PRO A 54 -5.328 5.278 -15.044 1.00 61.44 H new ATOM 0 HD3 PRO A 54 -6.745 5.978 -14.287 1.00 61.44 H new ATOM 861 N ALA A 55 -3.844 10.110 -16.465 1.00 34.45 N ATOM 862 CA ALA A 55 -2.640 10.556 -17.154 1.00 21.34 C ATOM 863 C ALA A 55 -1.507 10.814 -16.166 1.00 43.55 C ATOM 864 O ALA A 55 -0.333 10.776 -16.531 1.00 65.42 O ATOM 865 CB ALA A 55 -2.930 11.808 -17.967 1.00 14.53 C ATOM 0 H ALA A 55 -4.529 10.846 -16.294 1.00 34.45 H new ATOM 0 HA ALA A 55 -2.323 9.763 -17.831 1.00 21.34 H new ATOM 0 HB1 ALA A 55 -2.022 12.130 -18.476 1.00 14.53 H new ATOM 0 HB2 ALA A 55 -3.702 11.592 -18.705 1.00 14.53 H new ATOM 0 HB3 ALA A 55 -3.274 12.601 -17.303 1.00 14.53 H new ATOM 871 N ASN A 56 -1.867 11.079 -14.915 1.00 13.31 N ATOM 872 CA ASN A 56 -0.880 11.346 -13.875 1.00 61.12 C ATOM 873 C ASN A 56 -0.957 10.297 -12.770 1.00 64.43 C ATOM 874 O ASN A 56 -0.815 10.613 -11.589 1.00 22.11 O ATOM 875 CB ASN A 56 -1.094 12.741 -13.285 1.00 13.01 C ATOM 876 CG ASN A 56 -1.359 13.786 -14.352 1.00 25.13 C ATOM 877 OD1 ASN A 56 -2.427 13.808 -14.963 1.00 42.52 O ATOM 878 ND2 ASN A 56 -0.383 14.658 -14.580 1.00 72.32 N ATOM 0 H ASN A 56 -2.835 11.115 -14.596 1.00 13.31 H new ATOM 0 HA ASN A 56 0.110 11.299 -14.328 1.00 61.12 H new ATOM 0 HB2 ASN A 56 -1.934 12.714 -12.591 1.00 13.01 H new ATOM 0 HB3 ASN A 56 -0.214 13.028 -12.710 1.00 13.01 H new ATOM 0 HD21 ASN A 56 -0.503 15.384 -15.286 1.00 72.32 H new ATOM 0 HD22 ASN A 56 0.486 14.601 -14.049 1.00 72.32 H new ATOM 885 N ASP A 57 -1.181 9.048 -13.163 1.00 31.42 N ATOM 886 CA ASP A 57 -1.275 7.951 -12.206 1.00 60.34 C ATOM 887 C ASP A 57 -1.546 6.630 -12.920 1.00 31.35 C ATOM 888 O ASP A 57 -1.600 6.576 -14.149 1.00 14.22 O ATOM 889 CB ASP A 57 -2.379 8.229 -11.185 1.00 40.32 C ATOM 890 CG ASP A 57 -1.849 8.310 -9.767 1.00 41.22 C ATOM 891 OD1 ASP A 57 -0.887 7.579 -9.450 1.00 40.23 O ATOM 892 OD2 ASP A 57 -2.395 9.105 -8.974 1.00 54.25 O ATOM 0 H ASP A 57 -1.301 8.770 -14.137 1.00 31.42 H new ATOM 0 HA ASP A 57 -0.321 7.873 -11.685 1.00 60.34 H new ATOM 0 HB2 ASP A 57 -2.876 9.165 -11.438 1.00 40.32 H new ATOM 0 HB3 ASP A 57 -3.131 7.442 -11.244 1.00 40.32 H new ATOM 897 N CYS A 58 -1.714 5.567 -12.141 1.00 34.22 N ATOM 898 CA CYS A 58 -1.978 4.245 -12.698 1.00 60.20 C ATOM 899 C CYS A 58 -3.310 3.698 -12.195 1.00 1.34 C ATOM 900 O CYS A 58 -3.846 4.170 -11.192 1.00 34.31 O ATOM 901 CB CYS A 58 -0.847 3.281 -12.335 1.00 75.21 C ATOM 902 SG CYS A 58 -1.089 2.418 -10.765 1.00 22.04 S ATOM 0 H CYS A 58 -1.672 5.595 -11.122 1.00 34.22 H new ATOM 0 HA CYS A 58 -2.032 4.339 -13.783 1.00 60.20 H new ATOM 0 HB2 CYS A 58 -0.743 2.543 -13.131 1.00 75.21 H new ATOM 0 HB3 CYS A 58 0.090 3.837 -12.291 1.00 75.21 H new ATOM 0 HG CYS A 58 -1.512 1.210 -10.994 1.00 22.04 H new ATOM 908 N ARG A 59 -3.839 2.703 -12.898 1.00 60.42 N ATOM 909 CA ARG A 59 -5.110 2.094 -12.524 1.00 61.04 C ATOM 910 C ARG A 59 -5.290 0.745 -13.214 1.00 55.05 C ATOM 911 O ARG A 59 -4.945 0.584 -14.385 1.00 60.51 O ATOM 912 CB ARG A 59 -6.270 3.023 -12.885 1.00 74.04 C ATOM 913 CG ARG A 59 -7.120 3.429 -11.692 1.00 62.40 C ATOM 914 CD ARG A 59 -7.093 4.933 -11.475 1.00 2.42 C ATOM 915 NE ARG A 59 -6.208 5.312 -10.377 1.00 5.14 N ATOM 916 CZ ARG A 59 -6.007 6.568 -9.994 1.00 44.34 C ATOM 917 NH1 ARG A 59 -6.625 7.561 -10.618 1.00 51.50 N ATOM 918 NH2 ARG A 59 -5.186 6.833 -8.986 1.00 2.00 N ATOM 0 H ARG A 59 -3.407 2.301 -13.730 1.00 60.42 H new ATOM 0 HA ARG A 59 -5.105 1.933 -11.446 1.00 61.04 H new ATOM 0 HB2 ARG A 59 -5.872 3.920 -13.359 1.00 74.04 H new ATOM 0 HB3 ARG A 59 -6.904 2.529 -13.621 1.00 74.04 H new ATOM 0 HG2 ARG A 59 -8.148 3.101 -11.848 1.00 62.40 H new ATOM 0 HG3 ARG A 59 -6.757 2.925 -10.797 1.00 62.40 H new ATOM 0 HD2 ARG A 59 -6.766 5.425 -12.391 1.00 2.42 H new ATOM 0 HD3 ARG A 59 -8.102 5.287 -11.266 1.00 2.42 H new ATOM 0 HE ARG A 59 -5.717 4.571 -9.876 1.00 5.14 H new ATOM 0 HH11 ARG A 59 -7.256 7.361 -11.394 1.00 51.50 H new ATOM 0 HH12 ARG A 59 -6.469 8.525 -10.322 1.00 51.50 H new ATOM 0 HH21 ARG A 59 -4.708 6.072 -8.504 1.00 2.00 H new ATOM 0 HH22 ARG A 59 -5.033 7.798 -8.693 1.00 2.00 H new ATOM 932 N PHE A 60 -5.833 -0.221 -12.481 1.00 55.00 N ATOM 933 CA PHE A 60 -6.059 -1.556 -13.022 1.00 23.55 C ATOM 934 C PHE A 60 -7.549 -1.820 -13.217 1.00 21.13 C ATOM 935 O PHE A 60 -8.380 -1.357 -12.436 1.00 62.25 O ATOM 936 CB PHE A 60 -5.460 -2.614 -12.092 1.00 2.23 C ATOM 937 CG PHE A 60 -4.558 -2.042 -11.035 1.00 54.52 C ATOM 938 CD1 PHE A 60 -3.224 -1.788 -11.307 1.00 63.44 C ATOM 939 CD2 PHE A 60 -5.046 -1.757 -9.770 1.00 22.33 C ATOM 940 CE1 PHE A 60 -2.392 -1.262 -10.338 1.00 5.54 C ATOM 941 CE2 PHE A 60 -4.219 -1.230 -8.796 1.00 43.01 C ATOM 942 CZ PHE A 60 -2.890 -0.983 -9.080 1.00 3.10 C ATOM 0 H PHE A 60 -6.125 -0.104 -11.511 1.00 55.00 H new ATOM 0 HA PHE A 60 -5.568 -1.615 -13.993 1.00 23.55 H new ATOM 0 HB2 PHE A 60 -6.269 -3.162 -11.610 1.00 2.23 H new ATOM 0 HB3 PHE A 60 -4.898 -3.333 -12.688 1.00 2.23 H new ATOM 0 HD1 PHE A 60 -2.829 -2.004 -12.289 1.00 63.44 H new ATOM 0 HD2 PHE A 60 -6.084 -1.949 -9.542 1.00 22.33 H new ATOM 0 HE1 PHE A 60 -1.354 -1.069 -10.564 1.00 5.54 H new ATOM 0 HE2 PHE A 60 -4.612 -1.012 -7.814 1.00 43.01 H new ATOM 0 HZ PHE A 60 -2.242 -0.573 -8.320 1.00 3.10 H new ATOM 952 N GLY A 61 -7.879 -2.567 -14.266 1.00 33.53 N ATOM 953 CA GLY A 61 -9.269 -2.880 -14.546 1.00 4.40 C ATOM 954 C GLY A 61 -9.474 -4.338 -14.907 1.00 1.54 C ATOM 955 O GLY A 61 -8.792 -4.870 -15.782 1.00 63.20 O ATOM 0 H GLY A 61 -7.209 -2.961 -14.927 1.00 33.53 H new ATOM 0 HA2 GLY A 61 -9.876 -2.636 -13.674 1.00 4.40 H new ATOM 0 HA3 GLY A 61 -9.621 -2.253 -15.365 1.00 4.40 H new ATOM 959 N VAL A 62 -10.416 -4.986 -14.229 1.00 60.22 N ATOM 960 CA VAL A 62 -10.709 -6.392 -14.482 1.00 40.24 C ATOM 961 C VAL A 62 -11.996 -6.549 -15.284 1.00 32.12 C ATOM 962 O VAL A 62 -12.967 -5.823 -15.068 1.00 43.34 O ATOM 963 CB VAL A 62 -10.836 -7.184 -13.168 1.00 24.42 C ATOM 964 CG1 VAL A 62 -9.463 -7.442 -12.565 1.00 0.42 C ATOM 965 CG2 VAL A 62 -11.729 -6.444 -12.184 1.00 20.22 C ATOM 0 H VAL A 62 -10.989 -4.560 -13.501 1.00 60.22 H new ATOM 0 HA VAL A 62 -9.874 -6.791 -15.058 1.00 40.24 H new ATOM 0 HB VAL A 62 -11.297 -8.147 -13.388 1.00 24.42 H new ATOM 0 HG11 VAL A 62 -9.573 -8.003 -11.637 1.00 0.42 H new ATOM 0 HG12 VAL A 62 -8.859 -8.017 -13.267 1.00 0.42 H new ATOM 0 HG13 VAL A 62 -8.972 -6.491 -12.358 1.00 0.42 H new ATOM 0 HG21 VAL A 62 -11.807 -7.018 -11.261 1.00 20.22 H new ATOM 0 HG22 VAL A 62 -11.299 -5.466 -11.967 1.00 20.22 H new ATOM 0 HG23 VAL A 62 -12.721 -6.317 -12.618 1.00 20.22 H new ATOM 975 N TYR A 63 -11.998 -7.503 -16.209 1.00 2.53 N ATOM 976 CA TYR A 63 -13.166 -7.755 -17.045 1.00 4.44 C ATOM 977 C TYR A 63 -13.317 -9.245 -17.334 1.00 11.12 C ATOM 978 O TYR A 63 -12.366 -9.909 -17.747 1.00 1.55 O ATOM 979 CB TYR A 63 -13.056 -6.978 -18.358 1.00 13.54 C ATOM 980 CG TYR A 63 -12.197 -7.662 -19.396 1.00 43.34 C ATOM 981 CD1 TYR A 63 -12.744 -8.582 -20.283 1.00 2.44 C ATOM 982 CD2 TYR A 63 -10.838 -7.389 -19.491 1.00 63.33 C ATOM 983 CE1 TYR A 63 -11.962 -9.210 -21.233 1.00 13.20 C ATOM 984 CE2 TYR A 63 -10.049 -8.011 -20.439 1.00 61.54 C ATOM 985 CZ TYR A 63 -10.616 -8.921 -21.308 1.00 23.03 C ATOM 986 OH TYR A 63 -9.833 -9.544 -22.253 1.00 30.14 O ATOM 0 H TYR A 63 -11.204 -8.114 -16.399 1.00 2.53 H new ATOM 0 HA TYR A 63 -14.049 -7.417 -16.503 1.00 4.44 H new ATOM 0 HB2 TYR A 63 -14.055 -6.829 -18.767 1.00 13.54 H new ATOM 0 HB3 TYR A 63 -12.645 -5.990 -18.152 1.00 13.54 H new ATOM 0 HD1 TYR A 63 -13.798 -8.810 -20.229 1.00 2.44 H new ATOM 0 HD2 TYR A 63 -10.391 -6.678 -18.812 1.00 63.33 H new ATOM 0 HE1 TYR A 63 -12.403 -9.924 -21.913 1.00 13.20 H new ATOM 0 HE2 TYR A 63 -8.994 -7.786 -20.500 1.00 61.54 H new ATOM 0 HH TYR A 63 -10.177 -10.446 -22.420 1.00 30.14 H new ATOM 996 N ASP A 64 -14.520 -9.764 -17.114 1.00 52.24 N ATOM 997 CA ASP A 64 -14.799 -11.175 -17.353 1.00 30.34 C ATOM 998 C ASP A 64 -14.584 -11.532 -18.820 1.00 42.31 C ATOM 999 O ASP A 64 -15.421 -11.231 -19.671 1.00 55.25 O ATOM 1000 CB ASP A 64 -16.233 -11.511 -16.938 1.00 44.23 C ATOM 1001 CG ASP A 64 -16.706 -12.832 -17.511 1.00 34.22 C ATOM 1002 OD1 ASP A 64 -16.268 -13.888 -17.008 1.00 64.35 O ATOM 1003 OD2 ASP A 64 -17.517 -12.810 -18.461 1.00 23.45 O ATOM 0 H ASP A 64 -15.317 -9.229 -16.771 1.00 52.24 H new ATOM 0 HA ASP A 64 -14.107 -11.763 -16.750 1.00 30.34 H new ATOM 0 HB2 ASP A 64 -16.295 -11.547 -15.850 1.00 44.23 H new ATOM 0 HB3 ASP A 64 -16.900 -10.715 -17.269 1.00 44.23 H new ATOM 1008 N CYS A 65 -13.457 -12.173 -19.109 1.00 3.53 N ATOM 1009 CA CYS A 65 -13.130 -12.568 -20.474 1.00 72.32 C ATOM 1010 C CYS A 65 -13.800 -13.891 -20.832 1.00 31.13 C ATOM 1011 O CYS A 65 -13.711 -14.357 -21.967 1.00 14.40 O ATOM 1012 CB CYS A 65 -11.615 -12.688 -20.644 1.00 50.42 C ATOM 1013 SG CYS A 65 -11.043 -12.464 -22.345 1.00 33.40 S ATOM 0 H CYS A 65 -12.754 -12.430 -18.416 1.00 3.53 H new ATOM 0 HA CYS A 65 -13.504 -11.797 -21.148 1.00 72.32 H new ATOM 0 HB2 CYS A 65 -11.129 -11.948 -20.008 1.00 50.42 H new ATOM 0 HB3 CYS A 65 -11.297 -13.669 -20.291 1.00 50.42 H new ATOM 0 HG CYS A 65 -9.746 -12.370 -22.358 1.00 33.40 H new ATOM 1019 N GLY A 66 -14.470 -14.493 -19.853 1.00 63.13 N ATOM 1020 CA GLY A 66 -15.143 -15.758 -20.084 1.00 52.42 C ATOM 1021 C GLY A 66 -14.380 -16.934 -19.509 1.00 72.40 C ATOM 1022 O GLY A 66 -14.979 -17.898 -19.034 1.00 20.14 O ATOM 0 H GLY A 66 -14.558 -14.127 -18.905 1.00 63.13 H new ATOM 0 HA2 GLY A 66 -16.138 -15.723 -19.641 1.00 52.42 H new ATOM 0 HA3 GLY A 66 -15.277 -15.905 -21.156 1.00 52.42 H new ATOM 1026 N ASN A 67 -13.054 -16.857 -19.554 1.00 11.33 N ATOM 1027 CA ASN A 67 -12.208 -17.925 -19.035 1.00 30.22 C ATOM 1028 C ASN A 67 -11.233 -17.389 -17.991 1.00 13.11 C ATOM 1029 O ASN A 67 -10.934 -18.059 -17.002 1.00 65.05 O ATOM 1030 CB ASN A 67 -11.436 -18.592 -20.175 1.00 43.21 C ATOM 1031 CG ASN A 67 -12.319 -18.901 -21.369 1.00 1.54 C ATOM 1032 OD1 ASN A 67 -13.538 -19.012 -21.240 1.00 53.43 O ATOM 1033 ND2 ASN A 67 -11.705 -19.041 -22.538 1.00 13.11 N ATOM 0 H ASN A 67 -12.542 -16.066 -19.945 1.00 11.33 H new ATOM 0 HA ASN A 67 -12.851 -18.665 -18.559 1.00 30.22 H new ATOM 0 HB2 ASN A 67 -10.621 -17.940 -20.489 1.00 43.21 H new ATOM 0 HB3 ASN A 67 -10.984 -19.515 -19.812 1.00 43.21 H new ATOM 0 HD21 ASN A 67 -12.247 -19.249 -23.377 1.00 13.11 H new ATOM 0 HD22 ASN A 67 -10.692 -18.940 -22.597 1.00 13.11 H new ATOM 1040 N LYS A 68 -10.742 -16.175 -18.217 1.00 24.32 N ATOM 1041 CA LYS A 68 -9.802 -15.546 -17.296 1.00 71.22 C ATOM 1042 C LYS A 68 -10.046 -14.043 -17.213 1.00 12.12 C ATOM 1043 O LYS A 68 -10.828 -13.488 -17.986 1.00 1.15 O ATOM 1044 CB LYS A 68 -8.363 -15.816 -17.740 1.00 62.15 C ATOM 1045 CG LYS A 68 -8.002 -15.163 -19.063 1.00 41.04 C ATOM 1046 CD LYS A 68 -8.481 -15.991 -20.243 1.00 75.45 C ATOM 1047 CE LYS A 68 -9.374 -15.179 -21.169 1.00 44.32 C ATOM 1048 NZ LYS A 68 -9.086 -15.459 -22.603 1.00 50.43 N ATOM 0 H LYS A 68 -10.979 -15.607 -19.030 1.00 24.32 H new ATOM 0 HA LYS A 68 -9.957 -15.977 -16.307 1.00 71.22 H new ATOM 0 HB2 LYS A 68 -7.681 -15.458 -16.969 1.00 62.15 H new ATOM 0 HB3 LYS A 68 -8.213 -16.892 -17.823 1.00 62.15 H new ATOM 0 HG2 LYS A 68 -8.445 -14.168 -19.112 1.00 41.04 H new ATOM 0 HG3 LYS A 68 -6.921 -15.034 -19.123 1.00 41.04 H new ATOM 0 HD2 LYS A 68 -7.621 -16.364 -20.800 1.00 75.45 H new ATOM 0 HD3 LYS A 68 -9.028 -16.861 -19.880 1.00 75.45 H new ATOM 0 HE2 LYS A 68 -10.419 -15.406 -20.957 1.00 44.32 H new ATOM 0 HE3 LYS A 68 -9.232 -14.117 -20.971 1.00 44.32 H new ATOM 0 HZ1 LYS A 68 -9.715 -14.887 -23.202 1.00 50.43 H new ATOM 0 HZ2 LYS A 68 -8.096 -15.218 -22.812 1.00 50.43 H new ATOM 0 HZ3 LYS A 68 -9.246 -16.468 -22.799 1.00 50.43 H new ATOM 1062 N ILE A 69 -9.372 -13.390 -16.272 1.00 41.02 N ATOM 1063 CA ILE A 69 -9.514 -11.951 -16.091 1.00 13.32 C ATOM 1064 C ILE A 69 -8.262 -11.212 -16.550 1.00 24.23 C ATOM 1065 O ILE A 69 -7.302 -11.069 -15.793 1.00 11.25 O ATOM 1066 CB ILE A 69 -9.797 -11.594 -14.619 1.00 62.04 C ATOM 1067 CG1 ILE A 69 -10.972 -12.417 -14.089 1.00 74.30 C ATOM 1068 CG2 ILE A 69 -10.080 -10.106 -14.480 1.00 42.32 C ATOM 1069 CD1 ILE A 69 -12.152 -12.465 -15.035 1.00 12.35 C ATOM 0 H ILE A 69 -8.722 -13.835 -15.623 1.00 41.02 H new ATOM 0 HA ILE A 69 -10.361 -11.639 -16.702 1.00 13.32 H new ATOM 0 HB ILE A 69 -8.914 -11.833 -14.026 1.00 62.04 H new ATOM 0 HG12 ILE A 69 -10.633 -13.434 -13.892 1.00 74.30 H new ATOM 0 HG13 ILE A 69 -11.297 -11.999 -13.136 1.00 74.30 H new ATOM 0 HG21 ILE A 69 -10.278 -9.869 -13.435 1.00 42.32 H new ATOM 0 HG22 ILE A 69 -9.216 -9.538 -14.823 1.00 42.32 H new ATOM 0 HG23 ILE A 69 -10.950 -9.843 -15.082 1.00 42.32 H new ATOM 0 HD11 ILE A 69 -12.948 -13.066 -14.594 1.00 12.35 H new ATOM 0 HD12 ILE A 69 -12.517 -11.453 -15.213 1.00 12.35 H new ATOM 0 HD13 ILE A 69 -11.843 -12.911 -15.980 1.00 12.35 H new ATOM 1081 N GLN A 70 -8.279 -10.744 -17.794 1.00 34.44 N ATOM 1082 CA GLN A 70 -7.145 -10.019 -18.353 1.00 23.22 C ATOM 1083 C GLN A 70 -7.172 -8.555 -17.928 1.00 51.54 C ATOM 1084 O GLN A 70 -7.931 -7.753 -18.474 1.00 72.42 O ATOM 1085 CB GLN A 70 -7.150 -10.120 -19.879 1.00 62.31 C ATOM 1086 CG GLN A 70 -5.824 -9.740 -20.518 1.00 70.44 C ATOM 1087 CD GLN A 70 -5.513 -10.566 -21.752 1.00 11.45 C ATOM 1088 OE1 GLN A 70 -6.410 -11.137 -22.373 1.00 3.03 O ATOM 1089 NE2 GLN A 70 -4.237 -10.632 -22.113 1.00 71.43 N ATOM 0 H GLN A 70 -9.066 -10.854 -18.434 1.00 34.44 H new ATOM 0 HA GLN A 70 -6.231 -10.473 -17.969 1.00 23.22 H new ATOM 0 HB2 GLN A 70 -7.403 -11.140 -20.166 1.00 62.31 H new ATOM 0 HB3 GLN A 70 -7.933 -9.474 -20.275 1.00 62.31 H new ATOM 0 HG2 GLN A 70 -5.844 -8.684 -20.788 1.00 70.44 H new ATOM 0 HG3 GLN A 70 -5.024 -9.867 -19.789 1.00 70.44 H new ATOM 0 HE21 GLN A 70 -3.527 -10.143 -21.568 1.00 71.43 H new ATOM 0 HE22 GLN A 70 -3.967 -11.172 -22.935 1.00 71.43 H new ATOM 1098 N PHE A 71 -6.340 -8.211 -16.951 1.00 64.21 N ATOM 1099 CA PHE A 71 -6.269 -6.843 -16.452 1.00 54.32 C ATOM 1100 C PHE A 71 -4.898 -6.233 -16.729 1.00 14.31 C ATOM 1101 O PHE A 71 -3.868 -6.805 -16.373 1.00 32.11 O ATOM 1102 CB PHE A 71 -6.561 -6.809 -14.951 1.00 33.24 C ATOM 1103 CG PHE A 71 -5.325 -6.848 -14.099 1.00 30.15 C ATOM 1104 CD1 PHE A 71 -4.791 -8.058 -13.684 1.00 42.54 C ATOM 1105 CD2 PHE A 71 -4.697 -5.675 -13.711 1.00 75.03 C ATOM 1106 CE1 PHE A 71 -3.653 -8.097 -12.900 1.00 50.15 C ATOM 1107 CE2 PHE A 71 -3.559 -5.708 -12.928 1.00 33.21 C ATOM 1108 CZ PHE A 71 -3.037 -6.920 -12.521 1.00 32.50 C ATOM 0 H PHE A 71 -5.705 -8.862 -16.489 1.00 64.21 H new ATOM 0 HA PHE A 71 -7.022 -6.253 -16.975 1.00 54.32 H new ATOM 0 HB2 PHE A 71 -7.124 -5.905 -14.719 1.00 33.24 H new ATOM 0 HB3 PHE A 71 -7.197 -7.656 -14.693 1.00 33.24 H new ATOM 0 HD1 PHE A 71 -5.270 -8.981 -13.977 1.00 42.54 H new ATOM 0 HD2 PHE A 71 -5.102 -4.724 -14.024 1.00 75.03 H new ATOM 0 HE1 PHE A 71 -3.246 -9.046 -12.584 1.00 50.15 H new ATOM 0 HE2 PHE A 71 -3.078 -4.787 -12.634 1.00 33.21 H new ATOM 0 HZ PHE A 71 -2.149 -6.948 -11.907 1.00 32.50 H new ATOM 1118 N VAL A 72 -4.894 -5.067 -17.367 1.00 50.34 N ATOM 1119 CA VAL A 72 -3.651 -4.378 -17.692 1.00 41.42 C ATOM 1120 C VAL A 72 -3.653 -2.954 -17.146 1.00 61.14 C ATOM 1121 O VAL A 72 -4.708 -2.337 -16.996 1.00 10.34 O ATOM 1122 CB VAL A 72 -3.415 -4.332 -19.214 1.00 33.14 C ATOM 1123 CG1 VAL A 72 -3.663 -5.699 -19.834 1.00 2.15 C ATOM 1124 CG2 VAL A 72 -4.301 -3.277 -19.858 1.00 53.21 C ATOM 0 H VAL A 72 -5.738 -4.580 -17.669 1.00 50.34 H new ATOM 0 HA VAL A 72 -2.845 -4.943 -17.224 1.00 41.42 H new ATOM 0 HB VAL A 72 -2.375 -4.060 -19.395 1.00 33.14 H new ATOM 0 HG11 VAL A 72 -3.492 -5.647 -20.909 1.00 2.15 H new ATOM 0 HG12 VAL A 72 -2.983 -6.427 -19.393 1.00 2.15 H new ATOM 0 HG13 VAL A 72 -4.693 -6.003 -19.645 1.00 2.15 H new ATOM 0 HG21 VAL A 72 -4.121 -3.258 -20.933 1.00 53.21 H new ATOM 0 HG22 VAL A 72 -5.348 -3.516 -19.669 1.00 53.21 H new ATOM 0 HG23 VAL A 72 -4.070 -2.300 -19.434 1.00 53.21 H new ATOM 1134 N LEU A 73 -2.465 -2.438 -16.852 1.00 41.32 N ATOM 1135 CA LEU A 73 -2.328 -1.085 -16.323 1.00 74.02 C ATOM 1136 C LEU A 73 -1.094 -0.397 -16.898 1.00 31.50 C ATOM 1137 O LEU A 73 -0.088 -1.046 -17.186 1.00 51.11 O ATOM 1138 CB LEU A 73 -2.242 -1.120 -14.796 1.00 53.33 C ATOM 1139 CG LEU A 73 -0.919 -1.613 -14.210 1.00 33.33 C ATOM 1140 CD1 LEU A 73 -0.505 -2.925 -14.857 1.00 62.51 C ATOM 1141 CD2 LEU A 73 0.167 -0.563 -14.386 1.00 44.33 C ATOM 0 H LEU A 73 -1.583 -2.936 -16.971 1.00 41.32 H new ATOM 0 HA LEU A 73 -3.209 -0.515 -16.618 1.00 74.02 H new ATOM 0 HB2 LEU A 73 -2.432 -0.115 -14.418 1.00 53.33 H new ATOM 0 HB3 LEU A 73 -3.043 -1.758 -14.421 1.00 53.33 H new ATOM 0 HG LEU A 73 -1.059 -1.786 -13.143 1.00 33.33 H new ATOM 0 HD11 LEU A 73 0.439 -3.261 -14.427 1.00 62.51 H new ATOM 0 HD12 LEU A 73 -1.273 -3.677 -14.678 1.00 62.51 H new ATOM 0 HD13 LEU A 73 -0.384 -2.779 -15.930 1.00 62.51 H new ATOM 0 HD21 LEU A 73 1.101 -0.932 -13.963 1.00 44.33 H new ATOM 0 HD22 LEU A 73 0.306 -0.357 -15.447 1.00 44.33 H new ATOM 0 HD23 LEU A 73 -0.127 0.353 -13.874 1.00 44.33 H new ATOM 1153 N TRP A 74 -1.178 0.918 -17.060 1.00 21.01 N ATOM 1154 CA TRP A 74 -0.066 1.694 -17.598 1.00 73.13 C ATOM 1155 C TRP A 74 0.617 2.500 -16.500 1.00 1.44 C ATOM 1156 O TRP A 74 -0.039 3.003 -15.586 1.00 60.42 O ATOM 1157 CB TRP A 74 -0.559 2.629 -18.704 1.00 3.44 C ATOM 1158 CG TRP A 74 -0.949 3.987 -18.203 1.00 33.04 C ATOM 1159 CD1 TRP A 74 -2.067 4.306 -17.485 1.00 62.42 C ATOM 1160 CD2 TRP A 74 -0.224 5.208 -18.384 1.00 14.35 C ATOM 1161 NE1 TRP A 74 -2.080 5.652 -17.209 1.00 73.42 N ATOM 1162 CE2 TRP A 74 -0.961 6.228 -17.749 1.00 22.34 C ATOM 1163 CE3 TRP A 74 0.976 5.540 -19.018 1.00 74.11 C ATOM 1164 CZ2 TRP A 74 -0.535 7.553 -17.732 1.00 52.24 C ATOM 1165 CZ3 TRP A 74 1.396 6.856 -19.001 1.00 44.04 C ATOM 1166 CH2 TRP A 74 0.643 7.849 -18.362 1.00 3.54 C ATOM 0 H TRP A 74 -2.004 1.470 -16.827 1.00 21.01 H new ATOM 0 HA TRP A 74 0.661 0.999 -18.017 1.00 73.13 H new ATOM 0 HB2 TRP A 74 0.224 2.737 -19.454 1.00 3.44 H new ATOM 0 HB3 TRP A 74 -1.415 2.173 -19.201 1.00 3.44 H new ATOM 0 HD1 TRP A 74 -2.828 3.604 -17.179 1.00 62.42 H new ATOM 0 HE1 TRP A 74 -2.806 6.143 -16.686 1.00 73.42 H new ATOM 0 HE3 TRP A 74 1.565 4.781 -19.512 1.00 74.11 H new ATOM 0 HZ2 TRP A 74 -1.114 8.320 -17.239 1.00 52.24 H new ATOM 0 HZ3 TRP A 74 2.321 7.124 -19.489 1.00 44.04 H new ATOM 0 HH2 TRP A 74 0.999 8.869 -18.367 1.00 3.54 H new ATOM 1177 N CYS A 75 1.937 2.621 -16.594 1.00 35.11 N ATOM 1178 CA CYS A 75 2.709 3.367 -15.607 1.00 33.15 C ATOM 1179 C CYS A 75 2.752 4.850 -15.958 1.00 42.41 C ATOM 1180 O CYS A 75 3.103 5.240 -17.072 1.00 72.53 O ATOM 1181 CB CYS A 75 4.130 2.810 -15.514 1.00 2.41 C ATOM 1182 SG CYS A 75 4.366 1.605 -14.187 1.00 60.00 S ATOM 0 H CYS A 75 2.495 2.212 -17.344 1.00 35.11 H new ATOM 0 HA CYS A 75 2.219 3.256 -14.639 1.00 33.15 H new ATOM 0 HB2 CYS A 75 4.388 2.343 -16.464 1.00 2.41 H new ATOM 0 HB3 CYS A 75 4.824 3.637 -15.366 1.00 2.41 H new ATOM 0 HG CYS A 75 5.598 1.191 -14.191 1.00 60.00 H new ATOM 1188 N PRO A 76 2.386 5.700 -14.987 1.00 20.23 N ATOM 1189 CA PRO A 76 2.374 7.154 -15.170 1.00 54.22 C ATOM 1190 C PRO A 76 3.778 7.736 -15.284 1.00 45.13 C ATOM 1191 O PRO A 76 4.688 7.333 -14.560 1.00 25.41 O ATOM 1192 CB PRO A 76 1.684 7.666 -13.903 1.00 23.32 C ATOM 1193 CG PRO A 76 1.933 6.608 -12.883 1.00 42.42 C ATOM 1194 CD PRO A 76 1.956 5.306 -13.634 1.00 65.04 C ATOM 0 HA PRO A 76 1.871 7.444 -16.092 1.00 54.22 H new ATOM 0 HB2 PRO A 76 2.096 8.625 -13.588 1.00 23.32 H new ATOM 0 HB3 PRO A 76 0.617 7.816 -14.066 1.00 23.32 H new ATOM 0 HG2 PRO A 76 2.878 6.778 -12.367 1.00 42.42 H new ATOM 0 HG3 PRO A 76 1.151 6.607 -12.123 1.00 42.42 H new ATOM 0 HD2 PRO A 76 2.648 4.595 -13.184 1.00 65.04 H new ATOM 0 HD3 PRO A 76 0.975 4.832 -13.646 1.00 65.04 H new ATOM 1202 N ASP A 77 3.948 8.686 -16.197 1.00 71.03 N ATOM 1203 CA ASP A 77 5.242 9.325 -16.405 1.00 63.20 C ATOM 1204 C ASP A 77 5.394 10.550 -15.508 1.00 71.44 C ATOM 1205 O ASP A 77 6.418 11.231 -15.540 1.00 34.00 O ATOM 1206 CB ASP A 77 5.407 9.727 -17.871 1.00 51.34 C ATOM 1207 CG ASP A 77 6.396 8.845 -18.606 1.00 63.45 C ATOM 1208 OD1 ASP A 77 6.123 7.634 -18.742 1.00 64.25 O ATOM 1209 OD2 ASP A 77 7.444 9.364 -19.045 1.00 51.41 O ATOM 0 H ASP A 77 3.205 9.031 -16.805 1.00 71.03 H new ATOM 0 HA ASP A 77 6.020 8.607 -16.144 1.00 63.20 H new ATOM 0 HB2 ASP A 77 4.439 9.676 -18.370 1.00 51.34 H new ATOM 0 HB3 ASP A 77 5.739 10.764 -17.925 1.00 51.34 H new ATOM 1214 N ASN A 78 4.367 10.823 -14.710 1.00 51.24 N ATOM 1215 CA ASN A 78 4.385 11.967 -13.806 1.00 4.21 C ATOM 1216 C ASN A 78 5.020 11.594 -12.470 1.00 21.03 C ATOM 1217 O ASN A 78 5.618 12.435 -11.799 1.00 32.44 O ATOM 1218 CB ASN A 78 2.965 12.489 -13.580 1.00 73.55 C ATOM 1219 CG ASN A 78 2.859 13.987 -13.787 1.00 3.20 C ATOM 1220 OD1 ASN A 78 2.474 14.724 -12.879 1.00 41.54 O ATOM 1221 ND2 ASN A 78 3.202 14.445 -14.986 1.00 32.34 N ATOM 0 H ASN A 78 3.512 10.268 -14.671 1.00 51.24 H new ATOM 0 HA ASN A 78 4.984 12.753 -14.267 1.00 4.21 H new ATOM 0 HB2 ASN A 78 2.282 11.982 -14.261 1.00 73.55 H new ATOM 0 HB3 ASN A 78 2.647 12.242 -12.567 1.00 73.55 H new ATOM 0 HD21 ASN A 78 3.152 15.444 -15.184 1.00 32.34 H new ATOM 0 HD22 ASN A 78 3.516 13.797 -15.709 1.00 32.34 H new ATOM 1228 N ALA A 79 4.886 10.327 -12.090 1.00 41.35 N ATOM 1229 CA ALA A 79 5.448 9.842 -10.836 1.00 64.24 C ATOM 1230 C ALA A 79 5.173 8.354 -10.651 1.00 34.42 C ATOM 1231 O ALA A 79 4.405 7.944 -9.780 1.00 32.21 O ATOM 1232 CB ALA A 79 4.888 10.635 -9.665 1.00 22.52 C ATOM 0 H ALA A 79 4.393 9.618 -12.633 1.00 41.35 H new ATOM 0 HA ALA A 79 6.528 9.983 -10.871 1.00 64.24 H new ATOM 0 HB1 ALA A 79 5.316 10.262 -8.735 1.00 22.52 H new ATOM 0 HB2 ALA A 79 5.142 11.688 -9.784 1.00 22.52 H new ATOM 0 HB3 ALA A 79 3.804 10.524 -9.635 1.00 22.52 H new ATOM 1238 N PRO A 80 5.812 7.523 -11.488 1.00 52.53 N ATOM 1239 CA PRO A 80 5.651 6.067 -11.436 1.00 15.40 C ATOM 1240 C PRO A 80 6.286 5.458 -10.191 1.00 10.21 C ATOM 1241 O PRO A 80 5.911 4.367 -9.761 1.00 11.55 O ATOM 1242 CB PRO A 80 6.374 5.585 -12.696 1.00 34.10 C ATOM 1243 CG PRO A 80 7.372 6.650 -12.991 1.00 42.41 C ATOM 1244 CD PRO A 80 6.742 7.942 -12.551 1.00 14.44 C ATOM 0 HA PRO A 80 4.602 5.774 -11.392 1.00 15.40 H new ATOM 0 HB2 PRO A 80 6.859 4.623 -12.531 1.00 34.10 H new ATOM 0 HB3 PRO A 80 5.679 5.453 -13.525 1.00 34.10 H new ATOM 0 HG2 PRO A 80 8.305 6.469 -12.457 1.00 42.41 H new ATOM 0 HG3 PRO A 80 7.613 6.675 -14.054 1.00 42.41 H new ATOM 0 HD2 PRO A 80 7.486 8.646 -12.179 1.00 14.44 H new ATOM 0 HD3 PRO A 80 6.219 8.434 -13.371 1.00 14.44 H new ATOM 1252 N VAL A 81 7.250 6.170 -9.616 1.00 22.25 N ATOM 1253 CA VAL A 81 7.937 5.700 -8.418 1.00 72.43 C ATOM 1254 C VAL A 81 6.942 5.322 -7.327 1.00 12.54 C ATOM 1255 O VAL A 81 7.240 4.506 -6.454 1.00 52.32 O ATOM 1256 CB VAL A 81 8.904 6.766 -7.870 1.00 54.24 C ATOM 1257 CG1 VAL A 81 8.164 8.066 -7.593 1.00 74.14 C ATOM 1258 CG2 VAL A 81 9.598 6.260 -6.615 1.00 41.51 C ATOM 0 H VAL A 81 7.573 7.074 -9.960 1.00 22.25 H new ATOM 0 HA VAL A 81 8.508 4.817 -8.706 1.00 72.43 H new ATOM 0 HB VAL A 81 9.666 6.963 -8.624 1.00 54.24 H new ATOM 0 HG11 VAL A 81 8.863 8.807 -7.206 1.00 74.14 H new ATOM 0 HG12 VAL A 81 7.718 8.435 -8.517 1.00 74.14 H new ATOM 0 HG13 VAL A 81 7.380 7.889 -6.857 1.00 74.14 H new ATOM 0 HG21 VAL A 81 10.278 7.026 -6.241 1.00 41.51 H new ATOM 0 HG22 VAL A 81 8.852 6.033 -5.853 1.00 41.51 H new ATOM 0 HG23 VAL A 81 10.162 5.358 -6.850 1.00 41.51 H new ATOM 1268 N LYS A 82 5.757 5.922 -7.381 1.00 22.33 N ATOM 1269 CA LYS A 82 4.715 5.648 -6.398 1.00 3.51 C ATOM 1270 C LYS A 82 3.976 4.357 -6.733 1.00 65.21 C ATOM 1271 O LYS A 82 3.996 3.387 -5.974 1.00 52.52 O ATOM 1272 CB LYS A 82 3.725 6.814 -6.337 1.00 21.34 C ATOM 1273 CG LYS A 82 2.327 6.402 -5.909 1.00 71.25 C ATOM 1274 CD LYS A 82 1.478 7.608 -5.543 1.00 20.42 C ATOM 1275 CE LYS A 82 0.742 8.160 -6.754 1.00 2.22 C ATOM 1276 NZ LYS A 82 0.242 9.543 -6.516 1.00 22.42 N ATOM 0 H LYS A 82 5.495 6.601 -8.095 1.00 22.33 H new ATOM 0 HA LYS A 82 5.190 5.531 -5.424 1.00 3.51 H new ATOM 0 HB2 LYS A 82 4.102 7.564 -5.642 1.00 21.34 H new ATOM 0 HB3 LYS A 82 3.671 7.286 -7.318 1.00 21.34 H new ATOM 0 HG2 LYS A 82 1.847 5.849 -6.716 1.00 71.25 H new ATOM 0 HG3 LYS A 82 2.391 5.728 -5.055 1.00 71.25 H new ATOM 0 HD2 LYS A 82 0.757 7.327 -4.775 1.00 20.42 H new ATOM 0 HD3 LYS A 82 2.112 8.385 -5.116 1.00 20.42 H new ATOM 0 HE2 LYS A 82 1.409 8.158 -7.616 1.00 2.22 H new ATOM 0 HE3 LYS A 82 -0.096 7.508 -6.998 1.00 2.22 H new ATOM 0 HZ1 LYS A 82 -0.254 9.884 -7.364 1.00 22.42 H new ATOM 0 HZ2 LYS A 82 -0.414 9.541 -5.709 1.00 22.42 H new ATOM 0 HZ3 LYS A 82 1.044 10.171 -6.308 1.00 22.42 H new ATOM 1290 N PRO A 83 3.310 4.340 -7.897 1.00 42.11 N ATOM 1291 CA PRO A 83 2.554 3.172 -8.360 1.00 4.41 C ATOM 1292 C PRO A 83 3.463 2.012 -8.751 1.00 33.44 C ATOM 1293 O PRO A 83 3.300 0.893 -8.263 1.00 64.20 O ATOM 1294 CB PRO A 83 1.803 3.699 -9.585 1.00 12.10 C ATOM 1295 CG PRO A 83 2.628 4.839 -10.075 1.00 21.34 C ATOM 1296 CD PRO A 83 3.244 5.460 -8.851 1.00 70.44 C ATOM 0 HA PRO A 83 1.902 2.773 -7.582 1.00 4.41 H new ATOM 0 HB2 PRO A 83 1.701 2.928 -10.348 1.00 12.10 H new ATOM 0 HB3 PRO A 83 0.796 4.023 -9.323 1.00 12.10 H new ATOM 0 HG2 PRO A 83 3.397 4.495 -10.767 1.00 21.34 H new ATOM 0 HG3 PRO A 83 2.015 5.562 -10.613 1.00 21.34 H new ATOM 0 HD2 PRO A 83 4.233 5.867 -9.061 1.00 70.44 H new ATOM 0 HD3 PRO A 83 2.637 6.280 -8.467 1.00 70.44 H new ATOM 1304 N ARG A 84 4.419 2.285 -9.632 1.00 54.14 N ATOM 1305 CA ARG A 84 5.352 1.263 -10.089 1.00 23.41 C ATOM 1306 C ARG A 84 5.939 0.496 -8.907 1.00 71.43 C ATOM 1307 O ARG A 84 6.279 -0.681 -9.026 1.00 35.21 O ATOM 1308 CB ARG A 84 6.478 1.898 -10.907 1.00 53.23 C ATOM 1309 CG ARG A 84 7.354 0.886 -11.627 1.00 21.03 C ATOM 1310 CD ARG A 84 8.712 0.749 -10.956 1.00 60.32 C ATOM 1311 NE ARG A 84 9.586 -0.175 -11.675 1.00 4.54 N ATOM 1312 CZ ARG A 84 10.709 -0.670 -11.166 1.00 1.31 C ATOM 1313 NH1 ARG A 84 11.092 -0.332 -9.942 1.00 74.21 N ATOM 1314 NH2 ARG A 84 11.452 -1.505 -11.882 1.00 14.34 N ATOM 0 H ARG A 84 4.568 3.206 -10.044 1.00 54.14 H new ATOM 0 HA ARG A 84 4.804 0.563 -10.720 1.00 23.41 H new ATOM 0 HB2 ARG A 84 6.044 2.577 -11.641 1.00 53.23 H new ATOM 0 HB3 ARG A 84 7.101 2.500 -10.245 1.00 53.23 H new ATOM 0 HG2 ARG A 84 6.855 -0.083 -11.643 1.00 21.03 H new ATOM 0 HG3 ARG A 84 7.489 1.192 -12.664 1.00 21.03 H new ATOM 0 HD2 ARG A 84 9.188 1.728 -10.898 1.00 60.32 H new ATOM 0 HD3 ARG A 84 8.577 0.399 -9.933 1.00 60.32 H new ATOM 0 HE ARG A 84 9.320 -0.455 -12.619 1.00 4.54 H new ATOM 0 HH11 ARG A 84 10.524 0.310 -9.389 1.00 74.21 H new ATOM 0 HH12 ARG A 84 11.955 -0.714 -9.554 1.00 74.21 H new ATOM 0 HH21 ARG A 84 11.161 -1.767 -12.824 1.00 14.34 H new ATOM 0 HH22 ARG A 84 12.314 -1.884 -11.490 1.00 14.34 H new ATOM 1328 N MET A 85 6.055 1.171 -7.769 1.00 1.32 N ATOM 1329 CA MET A 85 6.600 0.553 -6.566 1.00 30.12 C ATOM 1330 C MET A 85 5.499 -0.126 -5.757 1.00 41.21 C ATOM 1331 O MET A 85 5.617 -1.294 -5.385 1.00 5.22 O ATOM 1332 CB MET A 85 7.310 1.600 -5.705 1.00 74.20 C ATOM 1333 CG MET A 85 8.660 2.026 -6.257 1.00 25.23 C ATOM 1334 SD MET A 85 9.916 0.743 -6.086 1.00 43.30 S ATOM 1335 CE MET A 85 10.779 1.307 -4.621 1.00 43.44 C ATOM 0 H MET A 85 5.779 2.146 -7.654 1.00 1.32 H new ATOM 0 HA MET A 85 7.321 -0.205 -6.872 1.00 30.12 H new ATOM 0 HB2 MET A 85 6.670 2.478 -5.614 1.00 74.20 H new ATOM 0 HB3 MET A 85 7.447 1.200 -4.700 1.00 74.20 H new ATOM 0 HG2 MET A 85 8.552 2.285 -7.310 1.00 25.23 H new ATOM 0 HG3 MET A 85 8.992 2.926 -5.739 1.00 25.23 H new ATOM 0 HE1 MET A 85 11.588 0.615 -4.386 1.00 43.44 H new ATOM 0 HE2 MET A 85 11.192 2.300 -4.801 1.00 43.44 H new ATOM 0 HE3 MET A 85 10.083 1.350 -3.783 1.00 43.44 H new ATOM 1345 N THR A 86 4.427 0.613 -5.487 1.00 44.34 N ATOM 1346 CA THR A 86 3.306 0.083 -4.722 1.00 3.33 C ATOM 1347 C THR A 86 2.652 -1.089 -5.444 1.00 42.11 C ATOM 1348 O THR A 86 2.649 -2.214 -4.945 1.00 71.41 O ATOM 1349 CB THR A 86 2.244 1.167 -4.458 1.00 74.13 C ATOM 1350 OG1 THR A 86 2.815 2.240 -3.701 1.00 60.42 O ATOM 1351 CG2 THR A 86 1.054 0.587 -3.708 1.00 2.12 C ATOM 0 H THR A 86 4.312 1.581 -5.787 1.00 44.34 H new ATOM 0 HA THR A 86 3.708 -0.261 -3.769 1.00 3.33 H new ATOM 0 HB THR A 86 1.898 1.547 -5.419 1.00 74.13 H new ATOM 0 HG1 THR A 86 3.319 2.830 -4.299 1.00 60.42 H new ATOM 0 HG21 THR A 86 0.317 1.371 -3.533 1.00 2.12 H new ATOM 0 HG22 THR A 86 0.603 -0.209 -4.301 1.00 2.12 H new ATOM 0 HG23 THR A 86 1.388 0.183 -2.752 1.00 2.12 H new ATOM 1359 N TYR A 87 2.100 -0.818 -6.621 1.00 70.25 N ATOM 1360 CA TYR A 87 1.441 -1.851 -7.412 1.00 41.01 C ATOM 1361 C TYR A 87 2.358 -3.055 -7.609 1.00 12.53 C ATOM 1362 O TYR A 87 1.893 -4.182 -7.774 1.00 65.13 O ATOM 1363 CB TYR A 87 1.018 -1.290 -8.771 1.00 64.41 C ATOM 1364 CG TYR A 87 0.841 -2.350 -9.835 1.00 24.42 C ATOM 1365 CD1 TYR A 87 -0.102 -3.359 -9.688 1.00 73.31 C ATOM 1366 CD2 TYR A 87 1.618 -2.342 -10.987 1.00 74.03 C ATOM 1367 CE1 TYR A 87 -0.267 -4.330 -10.657 1.00 63.10 C ATOM 1368 CE2 TYR A 87 1.459 -3.308 -11.962 1.00 41.12 C ATOM 1369 CZ TYR A 87 0.516 -4.300 -11.792 1.00 41.03 C ATOM 1370 OH TYR A 87 0.354 -5.264 -12.761 1.00 24.45 O ATOM 0 H TYR A 87 2.096 0.108 -7.049 1.00 70.25 H new ATOM 0 HA TYR A 87 0.554 -2.178 -6.869 1.00 41.01 H new ATOM 0 HB2 TYR A 87 0.082 -0.745 -8.654 1.00 64.41 H new ATOM 0 HB3 TYR A 87 1.766 -0.571 -9.107 1.00 64.41 H new ATOM 0 HD1 TYR A 87 -0.717 -3.385 -8.801 1.00 73.31 H new ATOM 0 HD2 TYR A 87 2.359 -1.568 -11.123 1.00 74.03 H new ATOM 0 HE1 TYR A 87 -1.005 -5.108 -10.526 1.00 63.10 H new ATOM 0 HE2 TYR A 87 2.070 -3.286 -12.852 1.00 41.12 H new ATOM 0 HH TYR A 87 -0.577 -5.571 -12.765 1.00 24.45 H new ATOM 1380 N ALA A 88 3.663 -2.805 -7.588 1.00 61.33 N ATOM 1381 CA ALA A 88 4.646 -3.867 -7.761 1.00 63.44 C ATOM 1382 C ALA A 88 4.512 -4.923 -6.669 1.00 5.32 C ATOM 1383 O ALA A 88 4.272 -6.096 -6.952 1.00 71.22 O ATOM 1384 CB ALA A 88 6.053 -3.288 -7.769 1.00 2.03 C ATOM 0 H ALA A 88 4.064 -1.877 -7.453 1.00 61.33 H new ATOM 0 HA ALA A 88 4.458 -4.349 -8.720 1.00 63.44 H new ATOM 0 HB1 ALA A 88 6.777 -4.093 -7.899 1.00 2.03 H new ATOM 0 HB2 ALA A 88 6.149 -2.577 -8.590 1.00 2.03 H new ATOM 0 HB3 ALA A 88 6.242 -2.779 -6.824 1.00 2.03 H new ATOM 1390 N SER A 89 4.671 -4.498 -5.419 1.00 54.33 N ATOM 1391 CA SER A 89 4.572 -5.408 -4.284 1.00 51.42 C ATOM 1392 C SER A 89 3.124 -5.545 -3.823 1.00 22.43 C ATOM 1393 O SER A 89 2.840 -6.202 -2.821 1.00 61.43 O ATOM 1394 CB SER A 89 5.442 -4.911 -3.128 1.00 65.12 C ATOM 1395 OG SER A 89 6.566 -4.194 -3.608 1.00 3.50 O ATOM 0 H SER A 89 4.869 -3.530 -5.167 1.00 54.33 H new ATOM 0 HA SER A 89 4.928 -6.388 -4.603 1.00 51.42 H new ATOM 0 HB2 SER A 89 4.851 -4.271 -2.473 1.00 65.12 H new ATOM 0 HB3 SER A 89 5.776 -5.758 -2.529 1.00 65.12 H new ATOM 0 HG SER A 89 7.114 -3.899 -2.851 1.00 3.50 H new ATOM 1401 N SER A 90 2.212 -4.920 -4.561 1.00 24.42 N ATOM 1402 CA SER A 90 0.794 -4.969 -4.226 1.00 71.24 C ATOM 1403 C SER A 90 0.040 -5.882 -5.189 1.00 30.14 C ATOM 1404 O SER A 90 -1.056 -6.354 -4.886 1.00 13.32 O ATOM 1405 CB SER A 90 0.191 -3.563 -4.262 1.00 24.34 C ATOM 1406 OG SER A 90 -1.089 -3.542 -3.656 1.00 35.13 O ATOM 0 H SER A 90 2.430 -4.374 -5.395 1.00 24.42 H new ATOM 0 HA SER A 90 0.698 -5.373 -3.218 1.00 71.24 H new ATOM 0 HB2 SER A 90 0.852 -2.867 -3.746 1.00 24.34 H new ATOM 0 HB3 SER A 90 0.114 -3.223 -5.295 1.00 24.34 H new ATOM 0 HG SER A 90 -1.452 -2.632 -3.690 1.00 35.13 H new ATOM 1412 N LYS A 91 0.636 -6.127 -6.351 1.00 33.33 N ATOM 1413 CA LYS A 91 0.023 -6.984 -7.359 1.00 65.30 C ATOM 1414 C LYS A 91 -0.295 -8.360 -6.783 1.00 30.31 C ATOM 1415 O LYS A 91 -1.134 -9.087 -7.315 1.00 61.51 O ATOM 1416 CB LYS A 91 0.951 -7.128 -8.567 1.00 44.04 C ATOM 1417 CG LYS A 91 1.678 -8.461 -8.621 1.00 41.43 C ATOM 1418 CD LYS A 91 2.695 -8.587 -7.499 1.00 73.10 C ATOM 1419 CE LYS A 91 4.105 -8.758 -8.041 1.00 44.35 C ATOM 1420 NZ LYS A 91 4.429 -10.187 -8.306 1.00 21.14 N ATOM 0 H LYS A 91 1.543 -5.744 -6.618 1.00 33.33 H new ATOM 0 HA LYS A 91 -0.910 -6.518 -7.677 1.00 65.30 H new ATOM 0 HB2 LYS A 91 0.367 -7.005 -9.479 1.00 44.04 H new ATOM 0 HB3 LYS A 91 1.686 -6.323 -8.548 1.00 44.04 H new ATOM 0 HG2 LYS A 91 0.955 -9.274 -8.551 1.00 41.43 H new ATOM 0 HG3 LYS A 91 2.181 -8.564 -9.583 1.00 41.43 H new ATOM 0 HD2 LYS A 91 2.652 -7.700 -6.867 1.00 73.10 H new ATOM 0 HD3 LYS A 91 2.440 -9.440 -6.870 1.00 73.10 H new ATOM 0 HE2 LYS A 91 4.212 -8.185 -8.962 1.00 44.35 H new ATOM 0 HE3 LYS A 91 4.820 -8.350 -7.327 1.00 44.35 H new ATOM 0 HZ1 LYS A 91 5.399 -10.261 -8.674 1.00 21.14 H new ATOM 0 HZ2 LYS A 91 4.352 -10.730 -7.422 1.00 21.14 H new ATOM 0 HZ3 LYS A 91 3.763 -10.570 -9.007 1.00 21.14 H new ATOM 1434 N ASP A 92 0.378 -8.710 -5.693 1.00 24.43 N ATOM 1435 CA ASP A 92 0.165 -9.998 -5.043 1.00 20.32 C ATOM 1436 C ASP A 92 -1.230 -10.073 -4.430 1.00 71.54 C ATOM 1437 O ASP A 92 -1.751 -11.160 -4.179 1.00 5.23 O ATOM 1438 CB ASP A 92 1.223 -10.230 -3.963 1.00 32.13 C ATOM 1439 CG ASP A 92 1.410 -11.700 -3.642 1.00 2.12 C ATOM 1440 OD1 ASP A 92 0.678 -12.531 -4.218 1.00 72.52 O ATOM 1441 OD2 ASP A 92 2.290 -12.019 -2.815 1.00 51.21 O ATOM 0 H ASP A 92 1.076 -8.120 -5.240 1.00 24.43 H new ATOM 0 HA ASP A 92 0.253 -10.778 -5.800 1.00 20.32 H new ATOM 0 HB2 ASP A 92 2.173 -9.809 -4.293 1.00 32.13 H new ATOM 0 HB3 ASP A 92 0.936 -9.697 -3.057 1.00 32.13 H new ATOM 1446 N ALA A 93 -1.830 -8.912 -4.192 1.00 43.53 N ATOM 1447 CA ALA A 93 -3.164 -8.846 -3.610 1.00 54.33 C ATOM 1448 C ALA A 93 -4.229 -8.709 -4.693 1.00 74.22 C ATOM 1449 O ALA A 93 -5.142 -9.531 -4.788 1.00 64.45 O ATOM 1450 CB ALA A 93 -3.256 -7.687 -2.629 1.00 4.14 C ATOM 0 H ALA A 93 -1.413 -8.003 -4.394 1.00 43.53 H new ATOM 0 HA ALA A 93 -3.345 -9.777 -3.073 1.00 54.33 H new ATOM 0 HB1 ALA A 93 -4.258 -7.650 -2.202 1.00 4.14 H new ATOM 0 HB2 ALA A 93 -2.527 -7.827 -1.831 1.00 4.14 H new ATOM 0 HB3 ALA A 93 -3.049 -6.752 -3.150 1.00 4.14 H new ATOM 1456 N LEU A 94 -4.108 -7.666 -5.507 1.00 34.20 N ATOM 1457 CA LEU A 94 -5.062 -7.421 -6.584 1.00 23.42 C ATOM 1458 C LEU A 94 -5.322 -8.696 -7.381 1.00 1.31 C ATOM 1459 O LEU A 94 -6.466 -9.128 -7.525 1.00 53.32 O ATOM 1460 CB LEU A 94 -4.541 -6.323 -7.512 1.00 53.23 C ATOM 1461 CG LEU A 94 -4.366 -4.940 -6.884 1.00 15.13 C ATOM 1462 CD1 LEU A 94 -5.393 -4.720 -5.784 1.00 11.05 C ATOM 1463 CD2 LEU A 94 -2.955 -4.776 -6.339 1.00 60.12 C ATOM 0 H LEU A 94 -3.359 -6.976 -5.442 1.00 34.20 H new ATOM 0 HA LEU A 94 -6.002 -7.096 -6.138 1.00 23.42 H new ATOM 0 HB2 LEU A 94 -3.579 -6.641 -7.915 1.00 53.23 H new ATOM 0 HB3 LEU A 94 -5.226 -6.233 -8.355 1.00 53.23 H new ATOM 0 HG LEU A 94 -4.525 -4.188 -7.657 1.00 15.13 H new ATOM 0 HD11 LEU A 94 -5.253 -3.731 -5.348 1.00 11.05 H new ATOM 0 HD12 LEU A 94 -6.397 -4.794 -6.203 1.00 11.05 H new ATOM 0 HD13 LEU A 94 -5.266 -5.478 -5.011 1.00 11.05 H new ATOM 0 HD21 LEU A 94 -2.849 -3.786 -5.896 1.00 60.12 H new ATOM 0 HD22 LEU A 94 -2.768 -5.535 -5.580 1.00 60.12 H new ATOM 0 HD23 LEU A 94 -2.236 -4.889 -7.150 1.00 60.12 H new ATOM 1475 N LEU A 95 -4.253 -9.294 -7.895 1.00 32.22 N ATOM 1476 CA LEU A 95 -4.365 -10.521 -8.676 1.00 30.32 C ATOM 1477 C LEU A 95 -5.095 -11.604 -7.887 1.00 65.11 C ATOM 1478 O LEU A 95 -5.844 -12.401 -8.452 1.00 51.22 O ATOM 1479 CB LEU A 95 -2.977 -11.019 -9.083 1.00 2.53 C ATOM 1480 CG LEU A 95 -2.453 -10.519 -10.429 1.00 41.45 C ATOM 1481 CD1 LEU A 95 -0.932 -10.516 -10.443 1.00 12.10 C ATOM 1482 CD2 LEU A 95 -2.997 -11.374 -11.564 1.00 63.32 C ATOM 0 H LEU A 95 -3.299 -8.949 -7.785 1.00 32.22 H new ATOM 0 HA LEU A 95 -4.942 -10.299 -9.574 1.00 30.32 H new ATOM 0 HB2 LEU A 95 -2.267 -10.728 -8.309 1.00 2.53 H new ATOM 0 HB3 LEU A 95 -2.996 -12.109 -9.105 1.00 2.53 H new ATOM 0 HG LEU A 95 -2.799 -9.495 -10.574 1.00 41.45 H new ATOM 0 HD11 LEU A 95 -0.578 -10.157 -11.409 1.00 12.10 H new ATOM 0 HD12 LEU A 95 -0.562 -9.860 -9.655 1.00 12.10 H new ATOM 0 HD13 LEU A 95 -0.565 -11.528 -10.275 1.00 12.10 H new ATOM 0 HD21 LEU A 95 -2.614 -11.003 -12.515 1.00 63.32 H new ATOM 0 HD22 LEU A 95 -2.682 -12.408 -11.424 1.00 63.32 H new ATOM 0 HD23 LEU A 95 -4.086 -11.324 -11.568 1.00 63.32 H new ATOM 1494 N LYS A 96 -4.872 -11.626 -6.577 1.00 62.34 N ATOM 1495 CA LYS A 96 -5.510 -12.608 -5.709 1.00 21.41 C ATOM 1496 C LYS A 96 -6.925 -12.173 -5.343 1.00 13.00 C ATOM 1497 O LYS A 96 -7.700 -12.950 -4.784 1.00 51.41 O ATOM 1498 CB LYS A 96 -4.682 -12.810 -4.438 1.00 11.55 C ATOM 1499 CG LYS A 96 -3.346 -13.489 -4.683 1.00 1.41 C ATOM 1500 CD LYS A 96 -3.515 -14.796 -5.438 1.00 72.21 C ATOM 1501 CE LYS A 96 -3.297 -14.609 -6.932 1.00 34.42 C ATOM 1502 NZ LYS A 96 -2.251 -15.528 -7.459 1.00 24.12 N ATOM 0 H LYS A 96 -4.254 -10.974 -6.093 1.00 62.34 H new ATOM 0 HA LYS A 96 -5.568 -13.552 -6.251 1.00 21.41 H new ATOM 0 HB2 LYS A 96 -4.507 -11.841 -3.971 1.00 11.55 H new ATOM 0 HB3 LYS A 96 -5.258 -13.406 -3.730 1.00 11.55 H new ATOM 0 HG2 LYS A 96 -2.696 -12.822 -5.250 1.00 1.41 H new ATOM 0 HG3 LYS A 96 -2.853 -13.680 -3.729 1.00 1.41 H new ATOM 0 HD2 LYS A 96 -2.808 -15.532 -5.055 1.00 72.21 H new ATOM 0 HD3 LYS A 96 -4.515 -15.192 -5.262 1.00 72.21 H new ATOM 0 HE2 LYS A 96 -4.234 -14.784 -7.460 1.00 34.42 H new ATOM 0 HE3 LYS A 96 -3.007 -13.577 -7.130 1.00 34.42 H new ATOM 0 HZ1 LYS A 96 -2.132 -15.370 -8.480 1.00 24.12 H new ATOM 0 HZ2 LYS A 96 -1.350 -15.344 -6.973 1.00 24.12 H new ATOM 0 HZ3 LYS A 96 -2.539 -16.513 -7.293 1.00 24.12 H new ATOM 1516 N LYS A 97 -7.257 -10.927 -5.663 1.00 13.21 N ATOM 1517 CA LYS A 97 -8.580 -10.388 -5.371 1.00 33.12 C ATOM 1518 C LYS A 97 -9.509 -10.547 -6.570 1.00 75.10 C ATOM 1519 O LYS A 97 -10.452 -9.773 -6.745 1.00 63.32 O ATOM 1520 CB LYS A 97 -8.478 -8.911 -4.984 1.00 10.02 C ATOM 1521 CG LYS A 97 -7.936 -8.685 -3.583 1.00 34.41 C ATOM 1522 CD LYS A 97 -8.756 -9.429 -2.542 1.00 10.14 C ATOM 1523 CE LYS A 97 -7.965 -10.570 -1.920 1.00 40.41 C ATOM 1524 NZ LYS A 97 -8.577 -11.039 -0.646 1.00 63.32 N ATOM 0 H LYS A 97 -6.627 -10.271 -6.125 1.00 13.21 H new ATOM 0 HA LYS A 97 -8.996 -10.949 -4.534 1.00 33.12 H new ATOM 0 HB2 LYS A 97 -7.834 -8.400 -5.700 1.00 10.02 H new ATOM 0 HB3 LYS A 97 -9.465 -8.455 -5.061 1.00 10.02 H new ATOM 0 HG2 LYS A 97 -6.899 -9.016 -3.535 1.00 34.41 H new ATOM 0 HG3 LYS A 97 -7.941 -7.619 -3.357 1.00 34.41 H new ATOM 0 HD2 LYS A 97 -9.071 -8.736 -1.762 1.00 10.14 H new ATOM 0 HD3 LYS A 97 -9.662 -9.822 -3.004 1.00 10.14 H new ATOM 0 HE2 LYS A 97 -7.911 -11.400 -2.624 1.00 40.41 H new ATOM 0 HE3 LYS A 97 -6.942 -10.243 -1.733 1.00 40.41 H new ATOM 0 HZ1 LYS A 97 -7.855 -11.050 0.103 1.00 63.32 H new ATOM 0 HZ2 LYS A 97 -9.348 -10.396 -0.374 1.00 63.32 H new ATOM 0 HZ3 LYS A 97 -8.956 -11.999 -0.775 1.00 63.32 H new ATOM 1538 N LEU A 98 -9.239 -11.555 -7.392 1.00 54.12 N ATOM 1539 CA LEU A 98 -10.053 -11.817 -8.575 1.00 4.42 C ATOM 1540 C LEU A 98 -10.295 -13.312 -8.749 1.00 31.52 C ATOM 1541 O LEU A 98 -9.906 -14.117 -7.902 1.00 35.12 O ATOM 1542 CB LEU A 98 -9.371 -11.250 -9.822 1.00 34.31 C ATOM 1543 CG LEU A 98 -8.761 -9.856 -9.678 1.00 44.13 C ATOM 1544 CD1 LEU A 98 -7.736 -9.607 -10.774 1.00 5.23 C ATOM 1545 CD2 LEU A 98 -9.848 -8.792 -9.711 1.00 2.43 C ATOM 0 H LEU A 98 -8.463 -12.204 -7.262 1.00 54.12 H new ATOM 0 HA LEU A 98 -11.017 -11.326 -8.440 1.00 4.42 H new ATOM 0 HB2 LEU A 98 -8.584 -11.940 -10.126 1.00 34.31 H new ATOM 0 HB3 LEU A 98 -10.101 -11.223 -10.631 1.00 34.31 H new ATOM 0 HG LEU A 98 -8.254 -9.800 -8.714 1.00 44.13 H new ATOM 0 HD11 LEU A 98 -7.312 -8.610 -10.656 1.00 5.23 H new ATOM 0 HD12 LEU A 98 -6.941 -10.350 -10.705 1.00 5.23 H new ATOM 0 HD13 LEU A 98 -8.219 -9.683 -11.748 1.00 5.23 H new ATOM 0 HD21 LEU A 98 -9.395 -7.806 -9.607 1.00 2.43 H new ATOM 0 HD22 LEU A 98 -10.383 -8.848 -10.659 1.00 2.43 H new ATOM 0 HD23 LEU A 98 -10.546 -8.959 -8.890 1.00 2.43 H new ATOM 1557 N ASP A 99 -10.938 -13.678 -9.853 1.00 4.24 N ATOM 1558 CA ASP A 99 -11.229 -15.077 -10.140 1.00 20.52 C ATOM 1559 C ASP A 99 -10.831 -15.433 -11.569 1.00 21.21 C ATOM 1560 O ASP A 99 -11.528 -15.088 -12.522 1.00 63.43 O ATOM 1561 CB ASP A 99 -12.716 -15.366 -9.925 1.00 4.34 C ATOM 1562 CG ASP A 99 -12.974 -16.804 -9.521 1.00 1.14 C ATOM 1563 OD1 ASP A 99 -12.446 -17.713 -10.195 1.00 13.15 O ATOM 1564 OD2 ASP A 99 -13.705 -17.020 -8.531 1.00 25.51 O ATOM 0 H ASP A 99 -11.267 -13.025 -10.564 1.00 4.24 H new ATOM 0 HA ASP A 99 -10.645 -15.691 -9.455 1.00 20.52 H new ATOM 0 HB2 ASP A 99 -13.105 -14.700 -9.155 1.00 4.34 H new ATOM 0 HB3 ASP A 99 -13.262 -15.146 -10.842 1.00 4.34 H new ATOM 1569 N GLY A 100 -9.704 -16.125 -11.709 1.00 40.14 N ATOM 1570 CA GLY A 100 -9.232 -16.515 -13.025 1.00 41.42 C ATOM 1571 C GLY A 100 -8.207 -15.547 -13.583 1.00 71.44 C ATOM 1572 O GLY A 100 -7.744 -15.707 -14.712 1.00 43.22 O ATOM 0 H GLY A 100 -9.110 -16.422 -10.935 1.00 40.14 H new ATOM 0 HA2 GLY A 100 -8.794 -17.512 -12.970 1.00 41.42 H new ATOM 0 HA3 GLY A 100 -10.079 -16.576 -13.708 1.00 41.42 H new ATOM 1576 N ALA A 101 -7.853 -14.540 -12.792 1.00 34.34 N ATOM 1577 CA ALA A 101 -6.877 -13.544 -13.213 1.00 42.32 C ATOM 1578 C ALA A 101 -5.490 -14.161 -13.359 1.00 31.31 C ATOM 1579 O ALA A 101 -4.685 -14.133 -12.427 1.00 70.34 O ATOM 1580 CB ALA A 101 -6.841 -12.388 -12.224 1.00 22.43 C ATOM 0 H ALA A 101 -8.228 -14.393 -11.855 1.00 34.34 H new ATOM 0 HA ALA A 101 -7.181 -13.164 -14.188 1.00 42.32 H new ATOM 0 HB1 ALA A 101 -6.107 -11.652 -12.552 1.00 22.43 H new ATOM 0 HB2 ALA A 101 -7.825 -11.922 -12.173 1.00 22.43 H new ATOM 0 HB3 ALA A 101 -6.565 -12.761 -11.238 1.00 22.43 H new ATOM 1586 N THR A 102 -5.217 -14.720 -14.534 1.00 5.11 N ATOM 1587 CA THR A 102 -3.928 -15.346 -14.801 1.00 21.11 C ATOM 1588 C THR A 102 -2.867 -14.302 -15.131 1.00 72.31 C ATOM 1589 O THR A 102 -3.043 -13.116 -14.855 1.00 72.11 O ATOM 1590 CB THR A 102 -4.022 -16.351 -15.964 1.00 71.52 C ATOM 1591 OG1 THR A 102 -3.887 -15.668 -17.215 1.00 3.41 O ATOM 1592 CG2 THR A 102 -5.348 -17.097 -15.929 1.00 63.00 C ATOM 0 H THR A 102 -5.871 -14.752 -15.316 1.00 5.11 H new ATOM 0 HA THR A 102 -3.641 -15.877 -13.894 1.00 21.11 H new ATOM 0 HB THR A 102 -3.213 -17.074 -15.856 1.00 71.52 H new ATOM 0 HG1 THR A 102 -3.433 -16.251 -17.859 1.00 3.41 H new ATOM 0 HG21 THR A 102 -5.391 -17.801 -16.760 1.00 63.00 H new ATOM 0 HG22 THR A 102 -5.435 -17.640 -14.988 1.00 63.00 H new ATOM 0 HG23 THR A 102 -6.169 -16.385 -16.014 1.00 63.00 H new ATOM 1600 N ALA A 103 -1.766 -14.752 -15.724 1.00 41.41 N ATOM 1601 CA ALA A 103 -0.678 -13.855 -16.094 1.00 62.24 C ATOM 1602 C ALA A 103 -1.053 -13.007 -17.305 1.00 11.13 C ATOM 1603 O ALA A 103 -0.253 -12.203 -17.784 1.00 73.34 O ATOM 1604 CB ALA A 103 0.588 -14.650 -16.377 1.00 22.51 C ATOM 0 H ALA A 103 -1.604 -15.731 -15.958 1.00 41.41 H new ATOM 0 HA ALA A 103 -0.493 -13.183 -15.256 1.00 62.24 H new ATOM 0 HB1 ALA A 103 1.392 -13.968 -16.652 1.00 22.51 H new ATOM 0 HB2 ALA A 103 0.874 -15.208 -15.485 1.00 22.51 H new ATOM 0 HB3 ALA A 103 0.406 -15.345 -17.197 1.00 22.51 H new ATOM 1610 N VAL A 104 -2.275 -13.191 -17.795 1.00 62.40 N ATOM 1611 CA VAL A 104 -2.756 -12.443 -18.950 1.00 13.53 C ATOM 1612 C VAL A 104 -2.555 -10.944 -18.756 1.00 5.12 C ATOM 1613 O VAL A 104 -2.505 -10.184 -19.722 1.00 44.14 O ATOM 1614 CB VAL A 104 -4.248 -12.718 -19.215 1.00 72.42 C ATOM 1615 CG1 VAL A 104 -4.427 -14.050 -19.928 1.00 65.12 C ATOM 1616 CG2 VAL A 104 -5.034 -12.692 -17.913 1.00 54.11 C ATOM 0 H VAL A 104 -2.950 -13.852 -17.410 1.00 62.40 H new ATOM 0 HA VAL A 104 -2.174 -12.778 -19.809 1.00 13.53 H new ATOM 0 HB VAL A 104 -4.635 -11.931 -19.862 1.00 72.42 H new ATOM 0 HG11 VAL A 104 -5.488 -14.227 -20.107 1.00 65.12 H new ATOM 0 HG12 VAL A 104 -3.897 -14.027 -20.880 1.00 65.12 H new ATOM 0 HG13 VAL A 104 -4.025 -14.851 -19.308 1.00 65.12 H new ATOM 0 HG21 VAL A 104 -6.086 -12.888 -18.119 1.00 54.11 H new ATOM 0 HG22 VAL A 104 -4.647 -13.457 -17.239 1.00 54.11 H new ATOM 0 HG23 VAL A 104 -4.932 -11.712 -17.446 1.00 54.11 H new ATOM 1626 N ALA A 105 -2.438 -10.526 -17.500 1.00 15.43 N ATOM 1627 CA ALA A 105 -2.239 -9.118 -17.179 1.00 13.13 C ATOM 1628 C ALA A 105 -1.003 -8.564 -17.880 1.00 35.31 C ATOM 1629 O ALA A 105 -0.041 -9.291 -18.130 1.00 21.24 O ATOM 1630 CB ALA A 105 -2.122 -8.931 -15.673 1.00 73.32 C ATOM 0 H ALA A 105 -2.478 -11.142 -16.688 1.00 15.43 H new ATOM 0 HA ALA A 105 -3.107 -8.564 -17.537 1.00 13.13 H new ATOM 0 HB1 ALA A 105 -1.974 -7.875 -15.448 1.00 73.32 H new ATOM 0 HB2 ALA A 105 -3.035 -9.280 -15.191 1.00 73.32 H new ATOM 0 HB3 ALA A 105 -1.273 -9.504 -15.300 1.00 73.32 H new ATOM 1636 N LEU A 106 -1.036 -7.275 -18.196 1.00 54.50 N ATOM 1637 CA LEU A 106 0.082 -6.623 -18.870 1.00 34.12 C ATOM 1638 C LEU A 106 0.327 -5.232 -18.296 1.00 3.54 C ATOM 1639 O LEU A 106 -0.613 -4.477 -18.048 1.00 70.43 O ATOM 1640 CB LEU A 106 -0.189 -6.527 -20.372 1.00 41.13 C ATOM 1641 CG LEU A 106 0.555 -5.419 -21.119 1.00 11.25 C ATOM 1642 CD1 LEU A 106 2.059 -5.615 -21.005 1.00 13.25 C ATOM 1643 CD2 LEU A 106 0.129 -5.381 -22.579 1.00 44.21 C ATOM 0 H LEU A 106 -1.825 -6.660 -17.997 1.00 54.50 H new ATOM 0 HA LEU A 106 0.975 -7.226 -18.706 1.00 34.12 H new ATOM 0 HB2 LEU A 106 0.069 -7.482 -20.829 1.00 41.13 H new ATOM 0 HB3 LEU A 106 -1.259 -6.382 -20.519 1.00 41.13 H new ATOM 0 HG LEU A 106 0.298 -4.463 -20.662 1.00 11.25 H new ATOM 0 HD11 LEU A 106 2.572 -4.817 -21.543 1.00 13.25 H new ATOM 0 HD12 LEU A 106 2.351 -5.591 -19.955 1.00 13.25 H new ATOM 0 HD13 LEU A 106 2.334 -6.578 -21.436 1.00 13.25 H new ATOM 0 HD21 LEU A 106 0.668 -4.587 -23.095 1.00 44.21 H new ATOM 0 HD22 LEU A 106 0.355 -6.338 -23.049 1.00 44.21 H new ATOM 0 HD23 LEU A 106 -0.943 -5.191 -22.641 1.00 44.21 H new ATOM 1655 N GLU A 107 1.597 -4.898 -18.088 1.00 64.23 N ATOM 1656 CA GLU A 107 1.966 -3.596 -17.545 1.00 32.23 C ATOM 1657 C GLU A 107 2.896 -2.852 -18.498 1.00 41.03 C ATOM 1658 O GLU A 107 4.105 -3.084 -18.510 1.00 53.41 O ATOM 1659 CB GLU A 107 2.640 -3.760 -16.181 1.00 63.41 C ATOM 1660 CG GLU A 107 3.596 -4.940 -16.113 1.00 11.21 C ATOM 1661 CD GLU A 107 4.685 -4.749 -15.075 1.00 41.23 C ATOM 1662 OE1 GLU A 107 4.497 -3.918 -14.162 1.00 74.04 O ATOM 1663 OE2 GLU A 107 5.726 -5.431 -15.177 1.00 23.03 O ATOM 0 H GLU A 107 2.387 -5.511 -18.287 1.00 64.23 H new ATOM 0 HA GLU A 107 1.055 -3.010 -17.424 1.00 32.23 H new ATOM 0 HB2 GLU A 107 3.185 -2.847 -15.942 1.00 63.41 H new ATOM 0 HB3 GLU A 107 1.872 -3.881 -15.417 1.00 63.41 H new ATOM 0 HG2 GLU A 107 3.034 -5.845 -15.883 1.00 11.21 H new ATOM 0 HG3 GLU A 107 4.053 -5.089 -17.091 1.00 11.21 H new ATOM 1670 N ALA A 108 2.323 -1.957 -19.297 1.00 20.52 N ATOM 1671 CA ALA A 108 3.100 -1.178 -20.253 1.00 31.13 C ATOM 1672 C ALA A 108 2.566 0.246 -20.362 1.00 41.23 C ATOM 1673 O ALA A 108 1.355 0.464 -20.411 1.00 0.12 O ATOM 1674 CB ALA A 108 3.090 -1.854 -21.616 1.00 5.31 C ATOM 0 H ALA A 108 1.323 -1.754 -19.301 1.00 20.52 H new ATOM 0 HA ALA A 108 4.128 -1.126 -19.893 1.00 31.13 H new ATOM 0 HB1 ALA A 108 3.674 -1.262 -22.320 1.00 5.31 H new ATOM 0 HB2 ALA A 108 3.525 -2.850 -21.531 1.00 5.31 H new ATOM 0 HB3 ALA A 108 2.064 -1.936 -21.974 1.00 5.31 H new ATOM 1680 N HIS A 109 3.477 1.213 -20.400 1.00 42.42 N ATOM 1681 CA HIS A 109 3.097 2.618 -20.504 1.00 63.20 C ATOM 1682 C HIS A 109 3.314 3.136 -21.923 1.00 23.14 C ATOM 1683 O HIS A 109 4.441 3.430 -22.320 1.00 22.32 O ATOM 1684 CB HIS A 109 3.901 3.460 -19.513 1.00 33.15 C ATOM 1685 CG HIS A 109 5.373 3.190 -19.553 1.00 23.34 C ATOM 1686 ND1 HIS A 109 5.967 2.153 -18.865 1.00 22.35 N ATOM 1687 CD2 HIS A 109 6.373 3.827 -20.205 1.00 50.43 C ATOM 1688 CE1 HIS A 109 7.269 2.165 -19.091 1.00 14.42 C ATOM 1689 NE2 HIS A 109 7.541 3.172 -19.902 1.00 32.22 N ATOM 0 H HIS A 109 4.483 1.050 -20.360 1.00 42.42 H new ATOM 0 HA HIS A 109 2.037 2.701 -20.264 1.00 63.20 H new ATOM 0 HB2 HIS A 109 3.728 4.516 -19.722 1.00 33.15 H new ATOM 0 HB3 HIS A 109 3.532 3.270 -18.505 1.00 33.15 H new ATOM 0 HD2 HIS A 109 6.271 4.691 -20.845 1.00 50.43 H new ATOM 0 HE1 HIS A 109 7.988 1.470 -18.683 1.00 14.42 H new ATOM 0 HE2 HIS A 109 8.468 3.422 -20.247 1.00 32.22 H new ATOM 1697 N GLU A 110 2.228 3.244 -22.681 1.00 13.33 N ATOM 1698 CA GLU A 110 2.301 3.725 -24.055 1.00 50.33 C ATOM 1699 C GLU A 110 0.926 4.160 -24.554 1.00 33.23 C ATOM 1700 O GLU A 110 -0.011 3.363 -24.596 1.00 31.14 O ATOM 1701 CB GLU A 110 2.867 2.637 -24.970 1.00 51.44 C ATOM 1702 CG GLU A 110 2.550 1.226 -24.506 1.00 73.20 C ATOM 1703 CD GLU A 110 2.798 0.188 -25.583 1.00 72.32 C ATOM 1704 OE1 GLU A 110 2.816 0.563 -26.774 1.00 63.44 O ATOM 1705 OE2 GLU A 110 2.973 -0.999 -25.236 1.00 0.44 O ATOM 0 H GLU A 110 1.287 3.005 -22.367 1.00 13.33 H new ATOM 0 HA GLU A 110 2.965 4.589 -24.075 1.00 50.33 H new ATOM 0 HB2 GLU A 110 2.471 2.777 -25.976 1.00 51.44 H new ATOM 0 HB3 GLU A 110 3.949 2.755 -25.034 1.00 51.44 H new ATOM 0 HG2 GLU A 110 3.157 0.990 -23.632 1.00 73.20 H new ATOM 0 HG3 GLU A 110 1.507 1.176 -24.192 1.00 73.20 H new ATOM 1712 N MET A 111 0.813 5.429 -24.930 1.00 2.51 N ATOM 1713 CA MET A 111 -0.447 5.970 -25.426 1.00 50.31 C ATOM 1714 C MET A 111 -0.979 5.133 -26.585 1.00 34.04 C ATOM 1715 O MET A 111 -2.185 5.084 -26.825 1.00 42.13 O ATOM 1716 CB MET A 111 -0.263 7.422 -25.873 1.00 20.11 C ATOM 1717 CG MET A 111 -1.463 7.986 -26.616 1.00 70.45 C ATOM 1718 SD MET A 111 -1.261 9.726 -27.043 1.00 31.12 S ATOM 1719 CE MET A 111 -1.851 9.731 -28.734 1.00 32.20 C ATOM 0 H MET A 111 1.579 6.102 -24.901 1.00 2.51 H new ATOM 0 HA MET A 111 -1.173 5.937 -24.613 1.00 50.31 H new ATOM 0 HB2 MET A 111 -0.064 8.041 -24.998 1.00 20.11 H new ATOM 0 HB3 MET A 111 0.615 7.487 -26.515 1.00 20.11 H new ATOM 0 HG2 MET A 111 -1.626 7.409 -27.526 1.00 70.45 H new ATOM 0 HG3 MET A 111 -2.355 7.868 -26.000 1.00 70.45 H new ATOM 0 HE1 MET A 111 -1.788 10.741 -29.138 1.00 32.20 H new ATOM 0 HE2 MET A 111 -1.237 9.061 -29.336 1.00 32.20 H new ATOM 0 HE3 MET A 111 -2.887 9.394 -28.759 1.00 32.20 H new ATOM 1729 N GLY A 112 -0.072 4.475 -27.300 1.00 3.20 N ATOM 1730 CA GLY A 112 -0.470 3.649 -28.425 1.00 0.41 C ATOM 1731 C GLY A 112 -1.183 2.384 -27.991 1.00 65.33 C ATOM 1732 O GLY A 112 -1.978 1.822 -28.744 1.00 55.33 O ATOM 0 H GLY A 112 0.932 4.499 -27.120 1.00 3.20 H new ATOM 0 HA2 GLY A 112 -1.124 4.224 -29.081 1.00 0.41 H new ATOM 0 HA3 GLY A 112 0.412 3.384 -29.007 1.00 0.41 H new ATOM 1736 N ASP A 113 -0.896 1.932 -26.775 1.00 45.24 N ATOM 1737 CA ASP A 113 -1.514 0.724 -26.243 1.00 33.23 C ATOM 1738 C ASP A 113 -2.874 1.036 -25.626 1.00 10.34 C ATOM 1739 O ASP A 113 -3.784 0.206 -25.649 1.00 40.52 O ATOM 1740 CB ASP A 113 -0.603 0.076 -25.199 1.00 12.33 C ATOM 1741 CG ASP A 113 -1.200 -1.189 -24.614 1.00 51.22 C ATOM 1742 OD1 ASP A 113 -2.118 -1.079 -23.775 1.00 35.12 O ATOM 1743 OD2 ASP A 113 -0.750 -2.289 -24.997 1.00 4.41 O ATOM 0 H ASP A 113 -0.239 2.385 -26.139 1.00 45.24 H new ATOM 0 HA ASP A 113 -1.661 0.027 -27.068 1.00 33.23 H new ATOM 0 HB2 ASP A 113 0.359 -0.157 -25.655 1.00 12.33 H new ATOM 0 HB3 ASP A 113 -0.411 0.788 -24.397 1.00 12.33 H new ATOM 1748 N LEU A 114 -3.005 2.237 -25.073 1.00 11.20 N ATOM 1749 CA LEU A 114 -4.254 2.660 -24.448 1.00 62.40 C ATOM 1750 C LEU A 114 -5.212 3.240 -25.483 1.00 42.04 C ATOM 1751 O LEU A 114 -6.235 3.828 -25.136 1.00 11.34 O ATOM 1752 CB LEU A 114 -3.976 3.695 -23.357 1.00 31.24 C ATOM 1753 CG LEU A 114 -3.039 3.250 -22.233 1.00 11.42 C ATOM 1754 CD1 LEU A 114 -2.827 4.380 -21.237 1.00 30.12 C ATOM 1755 CD2 LEU A 114 -3.592 2.017 -21.534 1.00 12.13 C ATOM 0 H LEU A 114 -2.262 2.935 -25.045 1.00 11.20 H new ATOM 0 HA LEU A 114 -4.722 1.784 -23.999 1.00 62.40 H new ATOM 0 HB2 LEU A 114 -3.552 4.583 -23.826 1.00 31.24 H new ATOM 0 HB3 LEU A 114 -4.927 3.991 -22.914 1.00 31.24 H new ATOM 0 HG LEU A 114 -2.074 2.992 -22.670 1.00 11.42 H new ATOM 0 HD11 LEU A 114 -2.158 4.046 -20.444 1.00 30.12 H new ATOM 0 HD12 LEU A 114 -2.386 5.236 -21.747 1.00 30.12 H new ATOM 0 HD13 LEU A 114 -3.785 4.669 -20.805 1.00 30.12 H new ATOM 0 HD21 LEU A 114 -2.912 1.715 -20.737 1.00 12.13 H new ATOM 0 HD22 LEU A 114 -4.569 2.247 -21.109 1.00 12.13 H new ATOM 0 HD23 LEU A 114 -3.691 1.205 -22.254 1.00 12.13 H new