USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1061 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 126 SER OG : rot -8:sc= 0.225 USER MOD Set 1.2: A 128 SER OG : rot -90:sc= -0.0247 USER MOD Single : A 9 THR OG1 : rot 121:sc=-0.000632 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0472 K(o=-0.047,f=-1.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.595 K(o=0.59,f=-3!) USER MOD Single : A 28 ASN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= 1.16 (180deg=-0.871) USER MOD Single : A 31 THR OG1 : rot 34:sc= 0.348 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0.815) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 0.69 (180deg=0.21) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00627) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 15:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.367 X(o=0.37,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.0227 (180deg=-0.172) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.981) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc= -0.0594 (180deg=-0.396) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= 1.79 (180deg=1.43) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 119:sc= 0.289 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -120:sc= -0.559 USER MOD Single : A 111 ASN : amide:sc= -0.931 K(o=-0.93,f=-5.1!) USER MOD Single : A 116 LYS NZ :NH3+ -162:sc= 0.861 (180deg=0.654) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -160:sc= 0.306 (180deg=-0.0146) USER MOD Single : A 120 LYS NZ :NH3+ -116:sc= -0.237 (180deg=-1.67!) USER MOD Single : A 125 LYS NZ :NH3+ -125:sc= 0.516 (180deg=-0.0098) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 3.924 -1.080 13.606 1.00 71.11 N ATOM 21 CA GLY A 2 4.373 -0.825 12.240 1.00 10.40 C ATOM 22 C GLY A 2 3.223 -0.308 11.391 1.00 33.24 C ATOM 23 O GLY A 2 2.101 -0.148 11.895 1.00 51.33 O ATOM 0 HA2 GLY A 2 5.184 -0.097 12.247 1.00 10.40 H new ATOM 0 HA3 GLY A 2 4.771 -1.741 11.805 1.00 10.40 H new ATOM 27 N VAL A 3 3.486 -0.032 10.101 1.00 54.05 N ATOM 28 CA VAL A 3 2.465 0.469 9.150 1.00 24.21 C ATOM 29 C VAL A 3 2.659 -0.223 7.788 1.00 20.32 C ATOM 30 O VAL A 3 3.758 -0.214 7.246 1.00 63.44 O ATOM 31 CB VAL A 3 2.552 2.045 8.975 1.00 54.43 C ATOM 32 CG1 VAL A 3 1.585 2.566 7.893 1.00 63.35 C ATOM 33 CG2 VAL A 3 2.291 2.782 10.307 1.00 1.34 C ATOM 0 H VAL A 3 4.410 -0.148 9.684 1.00 54.05 H new ATOM 0 HA VAL A 3 1.478 0.236 9.551 1.00 24.21 H new ATOM 0 HB VAL A 3 3.571 2.257 8.651 1.00 54.43 H new ATOM 0 HG11 VAL A 3 1.681 3.649 7.810 1.00 63.35 H new ATOM 0 HG12 VAL A 3 1.828 2.106 6.935 1.00 63.35 H new ATOM 0 HG13 VAL A 3 0.561 2.313 8.168 1.00 63.35 H new ATOM 0 HG21 VAL A 3 2.359 3.858 10.147 1.00 1.34 H new ATOM 0 HG22 VAL A 3 1.295 2.532 10.672 1.00 1.34 H new ATOM 0 HG23 VAL A 3 3.035 2.477 11.043 1.00 1.34 H new ATOM 43 N VAL A 4 1.596 -0.830 7.234 1.00 1.42 N ATOM 44 CA VAL A 4 1.663 -1.496 5.921 1.00 70.52 C ATOM 45 C VAL A 4 0.777 -0.723 4.927 1.00 60.55 C ATOM 46 O VAL A 4 -0.443 -0.684 5.082 1.00 11.21 O ATOM 47 CB VAL A 4 1.210 -3.004 6.021 1.00 61.24 C ATOM 48 CG1 VAL A 4 1.373 -3.738 4.676 1.00 50.54 C ATOM 49 CG2 VAL A 4 1.979 -3.741 7.137 1.00 71.44 C ATOM 0 H VAL A 4 0.678 -0.873 7.676 1.00 1.42 H new ATOM 0 HA VAL A 4 2.695 -1.494 5.570 1.00 70.52 H new ATOM 0 HB VAL A 4 0.150 -3.006 6.274 1.00 61.24 H new ATOM 0 HG11 VAL A 4 1.051 -4.774 4.785 1.00 50.54 H new ATOM 0 HG12 VAL A 4 0.764 -3.247 3.917 1.00 50.54 H new ATOM 0 HG13 VAL A 4 2.420 -3.714 4.373 1.00 50.54 H new ATOM 0 HG21 VAL A 4 1.647 -4.778 7.184 1.00 71.44 H new ATOM 0 HG22 VAL A 4 3.047 -3.711 6.923 1.00 71.44 H new ATOM 0 HG23 VAL A 4 1.787 -3.255 8.093 1.00 71.44 H new ATOM 59 N ILE A 5 1.412 -0.097 3.922 1.00 63.20 N ATOM 60 CA ILE A 5 0.727 0.733 2.923 1.00 14.12 C ATOM 61 C ILE A 5 0.558 -0.083 1.624 1.00 65.31 C ATOM 62 O ILE A 5 1.531 -0.357 0.942 1.00 43.43 O ATOM 63 CB ILE A 5 1.528 2.067 2.593 1.00 72.23 C ATOM 64 CG1 ILE A 5 1.956 2.866 3.878 1.00 75.21 C ATOM 65 CG2 ILE A 5 0.691 2.964 1.650 1.00 64.22 C ATOM 66 CD1 ILE A 5 3.221 2.360 4.574 1.00 22.12 C ATOM 0 H ILE A 5 2.421 -0.154 3.781 1.00 63.20 H new ATOM 0 HA ILE A 5 -0.240 1.020 3.337 1.00 14.12 H new ATOM 0 HB ILE A 5 2.452 1.769 2.097 1.00 72.23 H new ATOM 0 HG12 ILE A 5 2.106 3.910 3.603 1.00 75.21 H new ATOM 0 HG13 ILE A 5 1.133 2.840 4.592 1.00 75.21 H new ATOM 0 HG21 ILE A 5 1.245 3.876 1.428 1.00 64.22 H new ATOM 0 HG22 ILE A 5 0.488 2.428 0.723 1.00 64.22 H new ATOM 0 HG23 ILE A 5 -0.251 3.221 2.134 1.00 64.22 H new ATOM 0 HD11 ILE A 5 3.428 2.979 5.447 1.00 22.12 H new ATOM 0 HD12 ILE A 5 3.075 1.327 4.888 1.00 22.12 H new ATOM 0 HD13 ILE A 5 4.063 2.414 3.883 1.00 22.12 H new ATOM 78 N LEU A 6 -0.675 -0.465 1.298 1.00 21.23 N ATOM 79 CA LEU A 6 -0.976 -1.256 0.098 1.00 12.22 C ATOM 80 C LEU A 6 -1.446 -0.308 -1.002 1.00 42.42 C ATOM 81 O LEU A 6 -2.585 0.154 -0.986 1.00 2.14 O ATOM 82 CB LEU A 6 -2.090 -2.291 0.425 1.00 63.33 C ATOM 83 CG LEU A 6 -1.880 -3.106 1.724 1.00 40.33 C ATOM 84 CD1 LEU A 6 -3.045 -4.063 1.973 1.00 34.21 C ATOM 85 CD2 LEU A 6 -0.546 -3.844 1.703 1.00 14.53 C ATOM 0 H LEU A 6 -1.497 -0.237 1.857 1.00 21.23 H new ATOM 0 HA LEU A 6 -0.087 -1.792 -0.235 1.00 12.22 H new ATOM 0 HB2 LEU A 6 -3.042 -1.764 0.497 1.00 63.33 H new ATOM 0 HB3 LEU A 6 -2.173 -2.986 -0.410 1.00 63.33 H new ATOM 0 HG LEU A 6 -1.852 -2.402 2.556 1.00 40.33 H new ATOM 0 HD11 LEU A 6 -2.868 -4.621 2.892 1.00 34.21 H new ATOM 0 HD12 LEU A 6 -3.970 -3.494 2.067 1.00 34.21 H new ATOM 0 HD13 LEU A 6 -3.130 -4.758 1.138 1.00 34.21 H new ATOM 0 HD21 LEU A 6 -0.427 -4.407 2.629 1.00 14.53 H new ATOM 0 HD22 LEU A 6 -0.523 -4.529 0.856 1.00 14.53 H new ATOM 0 HD23 LEU A 6 0.267 -3.124 1.610 1.00 14.53 H new ATOM 97 N VAL A 7 -0.562 -0.010 -1.954 1.00 64.11 N ATOM 98 CA VAL A 7 -0.888 0.910 -3.047 1.00 2.24 C ATOM 99 C VAL A 7 -1.414 0.102 -4.250 1.00 12.14 C ATOM 100 O VAL A 7 -0.646 -0.555 -4.957 1.00 62.10 O ATOM 101 CB VAL A 7 0.357 1.794 -3.448 1.00 70.32 C ATOM 102 CG1 VAL A 7 -0.013 2.811 -4.546 1.00 25.33 C ATOM 103 CG2 VAL A 7 0.941 2.522 -2.214 1.00 2.45 C ATOM 0 H VAL A 7 0.384 -0.391 -1.992 1.00 64.11 H new ATOM 0 HA VAL A 7 -1.665 1.597 -2.712 1.00 2.24 H new ATOM 0 HB VAL A 7 1.120 1.125 -3.846 1.00 70.32 H new ATOM 0 HG11 VAL A 7 0.864 3.406 -4.802 1.00 25.33 H new ATOM 0 HG12 VAL A 7 -0.362 2.280 -5.431 1.00 25.33 H new ATOM 0 HG13 VAL A 7 -0.803 3.468 -4.182 1.00 25.33 H new ATOM 0 HG21 VAL A 7 1.797 3.124 -2.518 1.00 2.45 H new ATOM 0 HG22 VAL A 7 0.179 3.169 -1.779 1.00 2.45 H new ATOM 0 HG23 VAL A 7 1.258 1.787 -1.474 1.00 2.45 H new ATOM 113 N LEU A 8 -2.750 0.159 -4.456 1.00 50.25 N ATOM 114 CA LEU A 8 -3.432 -0.533 -5.561 1.00 21.22 C ATOM 115 C LEU A 8 -3.442 0.395 -6.781 1.00 45.10 C ATOM 116 O LEU A 8 -4.249 1.321 -6.855 1.00 73.53 O ATOM 117 CB LEU A 8 -4.896 -0.934 -5.154 1.00 31.21 C ATOM 118 CG LEU A 8 -5.055 -2.199 -4.245 1.00 63.14 C ATOM 119 CD1 LEU A 8 -4.414 -2.011 -2.859 1.00 0.13 C ATOM 120 CD2 LEU A 8 -6.537 -2.613 -4.118 1.00 62.10 C ATOM 0 H LEU A 8 -3.382 0.689 -3.856 1.00 50.25 H new ATOM 0 HA LEU A 8 -2.900 -1.453 -5.801 1.00 21.22 H new ATOM 0 HB2 LEU A 8 -5.350 -0.087 -4.639 1.00 31.21 H new ATOM 0 HB3 LEU A 8 -5.470 -1.097 -6.066 1.00 31.21 H new ATOM 0 HG LEU A 8 -4.515 -3.008 -4.737 1.00 63.14 H new ATOM 0 HD11 LEU A 8 -4.552 -2.917 -2.268 1.00 0.13 H new ATOM 0 HD12 LEU A 8 -3.349 -1.812 -2.975 1.00 0.13 H new ATOM 0 HD13 LEU A 8 -4.887 -1.171 -2.351 1.00 0.13 H new ATOM 0 HD21 LEU A 8 -6.615 -3.494 -3.481 1.00 62.10 H new ATOM 0 HD22 LEU A 8 -7.107 -1.795 -3.677 1.00 62.10 H new ATOM 0 HD23 LEU A 8 -6.937 -2.843 -5.106 1.00 62.10 H new ATOM 132 N THR A 9 -2.559 0.119 -7.747 1.00 14.14 N ATOM 133 CA THR A 9 -2.365 0.979 -8.922 1.00 10.22 C ATOM 134 C THR A 9 -3.007 0.322 -10.153 1.00 31.23 C ATOM 135 O THR A 9 -2.837 -0.880 -10.387 1.00 31.35 O ATOM 136 CB THR A 9 -0.827 1.199 -9.185 1.00 14.41 C ATOM 137 OG1 THR A 9 -0.155 -0.070 -9.285 1.00 43.02 O ATOM 138 CG2 THR A 9 -0.156 2.033 -8.081 1.00 2.32 C ATOM 0 H THR A 9 -1.959 -0.706 -7.737 1.00 14.14 H new ATOM 0 HA THR A 9 -2.836 1.944 -8.736 1.00 10.22 H new ATOM 0 HB THR A 9 -0.743 1.749 -10.122 1.00 14.41 H new ATOM 0 HG1 THR A 9 0.279 -0.142 -10.160 1.00 43.02 H new ATOM 0 HG21 THR A 9 0.903 2.155 -8.310 1.00 2.32 H new ATOM 0 HG22 THR A 9 -0.631 3.013 -8.026 1.00 2.32 H new ATOM 0 HG23 THR A 9 -0.263 1.523 -7.124 1.00 2.32 H new ATOM 146 N GLY A 10 -3.711 1.144 -10.961 1.00 44.45 N ATOM 147 CA GLY A 10 -4.280 0.701 -12.237 1.00 41.34 C ATOM 148 C GLY A 10 -3.253 0.738 -13.375 1.00 61.23 C ATOM 149 O GLY A 10 -3.618 0.613 -14.546 1.00 51.44 O ATOM 0 H GLY A 10 -3.896 2.123 -10.743 1.00 44.45 H new ATOM 0 HA2 GLY A 10 -4.663 -0.314 -12.129 1.00 41.34 H new ATOM 0 HA3 GLY A 10 -5.128 1.336 -12.494 1.00 41.34 H new ATOM 153 N ASP A 11 -1.970 0.914 -13.017 1.00 61.21 N ATOM 154 CA ASP A 11 -0.844 0.959 -13.950 1.00 63.20 C ATOM 155 C ASP A 11 0.431 0.509 -13.223 1.00 65.55 C ATOM 156 O ASP A 11 0.695 0.946 -12.092 1.00 5.20 O ATOM 157 CB ASP A 11 -0.679 2.385 -14.532 1.00 2.53 C ATOM 158 CG ASP A 11 0.529 2.531 -15.477 1.00 55.32 C ATOM 159 OD1 ASP A 11 0.443 2.099 -16.646 1.00 2.23 O ATOM 160 OD2 ASP A 11 1.576 3.064 -15.055 1.00 22.42 O ATOM 0 H ASP A 11 -1.686 1.031 -12.044 1.00 61.21 H new ATOM 0 HA ASP A 11 -1.034 0.283 -14.784 1.00 63.20 H new ATOM 0 HB2 ASP A 11 -1.587 2.655 -15.072 1.00 2.53 H new ATOM 0 HB3 ASP A 11 -0.574 3.094 -13.710 1.00 2.53 H new ATOM 165 N GLU A 12 1.222 -0.345 -13.895 1.00 41.01 N ATOM 166 CA GLU A 12 2.416 -0.978 -13.309 1.00 44.14 C ATOM 167 C GLU A 12 3.546 0.044 -13.063 1.00 60.33 C ATOM 168 O GLU A 12 4.255 -0.035 -12.050 1.00 63.30 O ATOM 169 CB GLU A 12 2.907 -2.122 -14.235 1.00 54.13 C ATOM 170 CG GLU A 12 4.112 -2.929 -13.709 1.00 15.34 C ATOM 171 CD GLU A 12 3.861 -3.601 -12.347 1.00 3.14 C ATOM 172 OE1 GLU A 12 3.245 -4.691 -12.317 1.00 24.11 O ATOM 173 OE2 GLU A 12 4.304 -3.061 -11.308 1.00 31.41 O ATOM 0 H GLU A 12 1.051 -0.617 -14.863 1.00 41.01 H new ATOM 0 HA GLU A 12 2.139 -1.390 -12.339 1.00 44.14 H new ATOM 0 HB2 GLU A 12 2.078 -2.809 -14.406 1.00 54.13 H new ATOM 0 HB3 GLU A 12 3.172 -1.695 -15.202 1.00 54.13 H new ATOM 0 HG2 GLU A 12 4.371 -3.695 -14.440 1.00 15.34 H new ATOM 0 HG3 GLU A 12 4.973 -2.266 -13.624 1.00 15.34 H new ATOM 180 N ARG A 13 3.704 1.011 -13.993 1.00 63.52 N ATOM 181 CA ARG A 13 4.783 2.001 -13.906 1.00 24.51 C ATOM 182 C ARG A 13 4.584 2.909 -12.688 1.00 12.14 C ATOM 183 O ARG A 13 5.541 3.173 -11.978 1.00 24.21 O ATOM 184 CB ARG A 13 4.882 2.857 -15.188 1.00 14.01 C ATOM 185 CG ARG A 13 6.086 3.825 -15.208 1.00 34.43 C ATOM 186 CD ARG A 13 5.967 4.904 -16.295 1.00 34.12 C ATOM 187 NE ARG A 13 4.773 5.744 -16.108 1.00 74.33 N ATOM 188 CZ ARG A 13 4.367 6.705 -16.949 1.00 14.20 C ATOM 189 NH1 ARG A 13 5.047 6.976 -18.070 1.00 35.01 N ATOM 190 NH2 ARG A 13 3.276 7.403 -16.654 1.00 10.10 N ATOM 0 H ARG A 13 3.098 1.121 -14.806 1.00 63.52 H new ATOM 0 HA ARG A 13 5.717 1.451 -13.796 1.00 24.51 H new ATOM 0 HB2 ARG A 13 4.948 2.194 -16.051 1.00 14.01 H new ATOM 0 HB3 ARG A 13 3.964 3.434 -15.299 1.00 14.01 H new ATOM 0 HG2 ARG A 13 6.175 4.306 -14.234 1.00 34.43 H new ATOM 0 HG3 ARG A 13 7.001 3.255 -15.367 1.00 34.43 H new ATOM 0 HD2 ARG A 13 6.858 5.532 -16.282 1.00 34.12 H new ATOM 0 HD3 ARG A 13 5.926 4.429 -17.275 1.00 34.12 H new ATOM 0 HE ARG A 13 4.210 5.582 -15.273 1.00 74.33 H new ATOM 0 HH11 ARG A 13 5.889 6.447 -18.296 1.00 35.01 H new ATOM 0 HH12 ARG A 13 4.723 7.711 -18.698 1.00 35.01 H new ATOM 0 HH21 ARG A 13 2.760 7.204 -15.797 1.00 10.10 H new ATOM 0 HH22 ARG A 13 2.955 8.138 -17.284 1.00 10.10 H new ATOM 204 N ILE A 14 3.318 3.336 -12.439 1.00 63.55 N ATOM 205 CA ILE A 14 2.974 4.225 -11.303 1.00 22.03 C ATOM 206 C ILE A 14 3.413 3.592 -9.965 1.00 3.20 C ATOM 207 O ILE A 14 3.918 4.286 -9.089 1.00 64.40 O ATOM 208 CB ILE A 14 1.431 4.586 -11.242 1.00 43.22 C ATOM 209 CG1 ILE A 14 0.959 5.278 -12.563 1.00 3.43 C ATOM 210 CG2 ILE A 14 1.128 5.496 -10.021 1.00 12.12 C ATOM 211 CD1 ILE A 14 -0.517 5.652 -12.595 1.00 21.54 C ATOM 0 H ILE A 14 2.517 3.076 -13.014 1.00 63.55 H new ATOM 0 HA ILE A 14 3.517 5.155 -11.468 1.00 22.03 H new ATOM 0 HB ILE A 14 0.877 3.654 -11.130 1.00 43.22 H new ATOM 0 HG12 ILE A 14 1.551 6.180 -12.716 1.00 3.43 H new ATOM 0 HG13 ILE A 14 1.169 4.613 -13.400 1.00 3.43 H new ATOM 0 HG21 ILE A 14 0.064 5.732 -9.998 1.00 12.12 H new ATOM 0 HG22 ILE A 14 1.405 4.977 -9.103 1.00 12.12 H new ATOM 0 HG23 ILE A 14 1.702 6.419 -10.104 1.00 12.12 H new ATOM 0 HD11 ILE A 14 -0.752 6.126 -13.548 1.00 21.54 H new ATOM 0 HD12 ILE A 14 -1.123 4.753 -12.477 1.00 21.54 H new ATOM 0 HD13 ILE A 14 -0.734 6.345 -11.782 1.00 21.54 H new ATOM 223 N ALA A 15 3.266 2.258 -9.864 1.00 54.51 N ATOM 224 CA ALA A 15 3.723 1.479 -8.697 1.00 55.42 C ATOM 225 C ALA A 15 5.236 1.683 -8.451 1.00 0.01 C ATOM 226 O ALA A 15 5.667 1.890 -7.316 1.00 73.22 O ATOM 227 CB ALA A 15 3.388 -0.007 -8.894 1.00 5.23 C ATOM 0 H ALA A 15 2.827 1.690 -10.588 1.00 54.51 H new ATOM 0 HA ALA A 15 3.198 1.837 -7.812 1.00 55.42 H new ATOM 0 HB1 ALA A 15 3.729 -0.575 -8.028 1.00 5.23 H new ATOM 0 HB2 ALA A 15 2.310 -0.125 -9.004 1.00 5.23 H new ATOM 0 HB3 ALA A 15 3.887 -0.377 -9.790 1.00 5.23 H new ATOM 233 N GLU A 16 6.023 1.673 -9.541 1.00 22.22 N ATOM 234 CA GLU A 16 7.483 1.893 -9.490 1.00 25.42 C ATOM 235 C GLU A 16 7.838 3.392 -9.309 1.00 31.05 C ATOM 236 O GLU A 16 8.838 3.725 -8.660 1.00 12.32 O ATOM 237 CB GLU A 16 8.134 1.313 -10.769 1.00 52.33 C ATOM 238 CG GLU A 16 9.675 1.368 -10.820 1.00 60.12 C ATOM 239 CD GLU A 16 10.360 0.660 -9.634 1.00 72.32 C ATOM 240 OE1 GLU A 16 10.418 -0.586 -9.627 1.00 13.04 O ATOM 241 OE2 GLU A 16 10.862 1.345 -8.715 1.00 3.45 O ATOM 0 H GLU A 16 5.667 1.512 -10.483 1.00 22.22 H new ATOM 0 HA GLU A 16 7.880 1.374 -8.618 1.00 25.42 H new ATOM 0 HB2 GLU A 16 7.822 0.274 -10.874 1.00 52.33 H new ATOM 0 HB3 GLU A 16 7.741 1.852 -11.631 1.00 52.33 H new ATOM 0 HG2 GLU A 16 10.015 0.912 -11.750 1.00 60.12 H new ATOM 0 HG3 GLU A 16 9.992 2.411 -10.842 1.00 60.12 H new ATOM 248 N GLU A 17 7.005 4.292 -9.867 1.00 51.42 N ATOM 249 CA GLU A 17 7.233 5.748 -9.785 1.00 21.13 C ATOM 250 C GLU A 17 7.013 6.251 -8.352 1.00 11.41 C ATOM 251 O GLU A 17 7.618 7.229 -7.935 1.00 61.21 O ATOM 252 CB GLU A 17 6.299 6.520 -10.737 1.00 3.24 C ATOM 253 CG GLU A 17 6.453 6.186 -12.227 1.00 12.22 C ATOM 254 CD GLU A 17 7.851 6.472 -12.806 1.00 34.50 C ATOM 255 OE1 GLU A 17 8.236 7.657 -12.889 1.00 1.25 O ATOM 256 OE2 GLU A 17 8.555 5.524 -13.218 1.00 3.12 O ATOM 0 H GLU A 17 6.163 4.034 -10.382 1.00 51.42 H new ATOM 0 HA GLU A 17 8.266 5.928 -10.083 1.00 21.13 H new ATOM 0 HB2 GLU A 17 5.268 6.325 -10.443 1.00 3.24 H new ATOM 0 HB3 GLU A 17 6.473 7.588 -10.602 1.00 3.24 H new ATOM 0 HG2 GLU A 17 6.221 5.131 -12.375 1.00 12.22 H new ATOM 0 HG3 GLU A 17 5.716 6.757 -12.792 1.00 12.22 H new ATOM 263 N LEU A 18 6.090 5.598 -7.642 1.00 54.11 N ATOM 264 CA LEU A 18 5.832 5.846 -6.219 1.00 31.31 C ATOM 265 C LEU A 18 6.899 5.155 -5.338 1.00 64.54 C ATOM 266 O LEU A 18 7.292 5.684 -4.298 1.00 54.45 O ATOM 267 CB LEU A 18 4.402 5.352 -5.861 1.00 12.03 C ATOM 268 CG LEU A 18 3.212 6.080 -6.575 1.00 5.43 C ATOM 269 CD1 LEU A 18 1.863 5.488 -6.123 1.00 2.10 C ATOM 270 CD2 LEU A 18 3.255 7.604 -6.345 1.00 53.04 C ATOM 0 H LEU A 18 5.493 4.874 -8.042 1.00 54.11 H new ATOM 0 HA LEU A 18 5.894 6.917 -6.024 1.00 31.31 H new ATOM 0 HB2 LEU A 18 4.340 4.289 -6.093 1.00 12.03 H new ATOM 0 HB3 LEU A 18 4.266 5.452 -4.784 1.00 12.03 H new ATOM 0 HG LEU A 18 3.317 5.913 -7.647 1.00 5.43 H new ATOM 0 HD11 LEU A 18 1.050 6.007 -6.630 1.00 2.10 H new ATOM 0 HD12 LEU A 18 1.829 4.428 -6.373 1.00 2.10 H new ATOM 0 HD13 LEU A 18 1.755 5.610 -5.045 1.00 2.10 H new ATOM 0 HD21 LEU A 18 2.414 8.073 -6.856 1.00 53.04 H new ATOM 0 HD22 LEU A 18 3.193 7.813 -5.277 1.00 53.04 H new ATOM 0 HD23 LEU A 18 4.188 8.005 -6.740 1.00 53.04 H new ATOM 282 N ARG A 19 7.364 3.973 -5.796 1.00 72.24 N ATOM 283 CA ARG A 19 8.327 3.108 -5.070 1.00 34.04 C ATOM 284 C ARG A 19 9.649 3.821 -4.786 1.00 34.32 C ATOM 285 O ARG A 19 10.154 3.793 -3.653 1.00 44.20 O ATOM 286 CB ARG A 19 8.581 1.813 -5.890 1.00 45.13 C ATOM 287 CG ARG A 19 9.616 0.851 -5.281 1.00 33.22 C ATOM 288 CD ARG A 19 9.710 -0.492 -6.023 1.00 43.02 C ATOM 289 NE ARG A 19 10.745 -1.355 -5.432 1.00 43.43 N ATOM 290 CZ ARG A 19 11.689 -2.025 -6.116 1.00 20.42 C ATOM 291 NH1 ARG A 19 11.769 -1.946 -7.444 1.00 11.24 N ATOM 292 NH2 ARG A 19 12.555 -2.774 -5.459 1.00 73.54 N ATOM 0 H ARG A 19 7.078 3.584 -6.695 1.00 72.24 H new ATOM 0 HA ARG A 19 7.886 2.857 -4.105 1.00 34.04 H new ATOM 0 HB2 ARG A 19 7.636 1.282 -6.004 1.00 45.13 H new ATOM 0 HB3 ARG A 19 8.912 2.093 -6.890 1.00 45.13 H new ATOM 0 HG2 ARG A 19 10.595 1.331 -5.287 1.00 33.22 H new ATOM 0 HG3 ARG A 19 9.359 0.665 -4.238 1.00 33.22 H new ATOM 0 HD2 ARG A 19 8.746 -0.999 -5.987 1.00 43.02 H new ATOM 0 HD3 ARG A 19 9.937 -0.315 -7.074 1.00 43.02 H new ATOM 0 HE ARG A 19 10.746 -1.453 -4.417 1.00 43.43 H new ATOM 0 HH11 ARG A 19 11.106 -1.369 -7.961 1.00 11.24 H new ATOM 0 HH12 ARG A 19 12.493 -2.463 -7.943 1.00 11.24 H new ATOM 0 HH21 ARG A 19 12.504 -2.840 -4.442 1.00 73.54 H new ATOM 0 HH22 ARG A 19 13.275 -3.287 -5.968 1.00 73.54 H new ATOM 306 N LYS A 20 10.182 4.469 -5.824 1.00 74.41 N ATOM 307 CA LYS A 20 11.435 5.229 -5.732 1.00 23.42 C ATOM 308 C LYS A 20 11.306 6.389 -4.725 1.00 34.51 C ATOM 309 O LYS A 20 12.245 6.676 -3.997 1.00 25.15 O ATOM 310 CB LYS A 20 11.839 5.735 -7.144 1.00 72.40 C ATOM 311 CG LYS A 20 10.766 6.586 -7.850 1.00 50.22 C ATOM 312 CD LYS A 20 11.072 6.860 -9.340 1.00 62.31 C ATOM 313 CE LYS A 20 12.379 7.636 -9.567 1.00 1.34 C ATOM 314 NZ LYS A 20 12.626 7.891 -11.026 1.00 42.14 N ATOM 0 H LYS A 20 9.759 4.483 -6.752 1.00 74.41 H new ATOM 0 HA LYS A 20 12.224 4.575 -5.361 1.00 23.42 H new ATOM 0 HB2 LYS A 20 12.752 6.324 -7.057 1.00 72.40 H new ATOM 0 HB3 LYS A 20 12.073 4.875 -7.771 1.00 72.40 H new ATOM 0 HG2 LYS A 20 9.804 6.079 -7.773 1.00 50.22 H new ATOM 0 HG3 LYS A 20 10.668 7.537 -7.327 1.00 50.22 H new ATOM 0 HD2 LYS A 20 11.126 5.910 -9.872 1.00 62.31 H new ATOM 0 HD3 LYS A 20 10.245 7.422 -9.775 1.00 62.31 H new ATOM 0 HE2 LYS A 20 12.336 8.586 -9.034 1.00 1.34 H new ATOM 0 HE3 LYS A 20 13.214 7.073 -9.149 1.00 1.34 H new ATOM 0 HZ1 LYS A 20 13.516 8.416 -11.141 1.00 42.14 H new ATOM 0 HZ2 LYS A 20 12.692 6.984 -11.531 1.00 42.14 H new ATOM 0 HZ3 LYS A 20 11.841 8.449 -11.419 1.00 42.14 H new ATOM 328 N GLU A 21 10.100 6.981 -4.658 1.00 43.22 N ATOM 329 CA GLU A 21 9.786 8.131 -3.787 1.00 13.33 C ATOM 330 C GLU A 21 9.686 7.723 -2.307 1.00 44.21 C ATOM 331 O GLU A 21 9.968 8.532 -1.420 1.00 73.20 O ATOM 332 CB GLU A 21 8.492 8.795 -4.280 1.00 15.32 C ATOM 333 CG GLU A 21 8.562 9.220 -5.755 1.00 14.53 C ATOM 334 CD GLU A 21 9.616 10.310 -6.059 1.00 51.44 C ATOM 335 OE1 GLU A 21 9.319 11.508 -5.853 1.00 14.53 O ATOM 336 OE2 GLU A 21 10.731 9.978 -6.524 1.00 45.33 O ATOM 0 H GLU A 21 9.304 6.670 -5.215 1.00 43.22 H new ATOM 0 HA GLU A 21 10.603 8.850 -3.847 1.00 13.33 H new ATOM 0 HB2 GLU A 21 7.661 8.103 -4.146 1.00 15.32 H new ATOM 0 HB3 GLU A 21 8.281 9.670 -3.665 1.00 15.32 H new ATOM 0 HG2 GLU A 21 8.780 8.342 -6.363 1.00 14.53 H new ATOM 0 HG3 GLU A 21 7.582 9.585 -6.062 1.00 14.53 H new ATOM 343 N VAL A 22 9.263 6.466 -2.064 1.00 1.21 N ATOM 344 CA VAL A 22 9.315 5.842 -0.726 1.00 62.13 C ATOM 345 C VAL A 22 10.772 5.794 -0.235 1.00 12.34 C ATOM 346 O VAL A 22 11.066 6.114 0.911 1.00 50.51 O ATOM 347 CB VAL A 22 8.745 4.373 -0.742 1.00 54.24 C ATOM 348 CG1 VAL A 22 8.821 3.719 0.649 1.00 70.41 C ATOM 349 CG2 VAL A 22 7.306 4.321 -1.279 1.00 15.41 C ATOM 0 H VAL A 22 8.877 5.857 -2.786 1.00 1.21 H new ATOM 0 HA VAL A 22 8.700 6.447 -0.059 1.00 62.13 H new ATOM 0 HB VAL A 22 9.378 3.803 -1.422 1.00 54.24 H new ATOM 0 HG11 VAL A 22 8.419 2.707 0.598 1.00 70.41 H new ATOM 0 HG12 VAL A 22 9.860 3.680 0.977 1.00 70.41 H new ATOM 0 HG13 VAL A 22 8.238 4.306 1.359 1.00 70.41 H new ATOM 0 HG21 VAL A 22 6.952 3.290 -1.273 1.00 15.41 H new ATOM 0 HG22 VAL A 22 6.660 4.930 -0.647 1.00 15.41 H new ATOM 0 HG23 VAL A 22 7.284 4.706 -2.299 1.00 15.41 H new ATOM 359 N GLN A 23 11.664 5.412 -1.162 1.00 2.33 N ATOM 360 CA GLN A 23 13.103 5.259 -0.907 1.00 43.22 C ATOM 361 C GLN A 23 13.791 6.641 -0.760 1.00 71.13 C ATOM 362 O GLN A 23 14.791 6.766 -0.048 1.00 21.45 O ATOM 363 CB GLN A 23 13.735 4.409 -2.049 1.00 53.04 C ATOM 364 CG GLN A 23 13.088 3.012 -2.216 1.00 34.11 C ATOM 365 CD GLN A 23 13.586 2.247 -3.451 1.00 32.33 C ATOM 366 OE1 GLN A 23 13.013 2.350 -4.537 1.00 44.22 O ATOM 367 NE2 GLN A 23 14.656 1.478 -3.298 1.00 42.13 N ATOM 0 H GLN A 23 11.401 5.198 -2.124 1.00 2.33 H new ATOM 0 HA GLN A 23 13.254 4.736 0.037 1.00 43.22 H new ATOM 0 HB2 GLN A 23 13.647 4.955 -2.988 1.00 53.04 H new ATOM 0 HB3 GLN A 23 14.800 4.285 -1.851 1.00 53.04 H new ATOM 0 HG2 GLN A 23 13.291 2.418 -1.325 1.00 34.11 H new ATOM 0 HG3 GLN A 23 12.006 3.128 -2.282 1.00 34.11 H new ATOM 0 HE21 GLN A 23 15.110 1.412 -2.387 1.00 42.13 H new ATOM 0 HE22 GLN A 23 15.024 0.953 -4.091 1.00 42.13 H new ATOM 376 N LYS A 24 13.232 7.673 -1.440 1.00 71.41 N ATOM 377 CA LYS A 24 13.698 9.086 -1.324 1.00 73.54 C ATOM 378 C LYS A 24 13.241 9.713 0.011 1.00 51.45 C ATOM 379 O LYS A 24 13.900 10.616 0.539 1.00 73.23 O ATOM 380 CB LYS A 24 13.167 9.951 -2.509 1.00 15.34 C ATOM 381 CG LYS A 24 13.600 9.482 -3.911 1.00 2.24 C ATOM 382 CD LYS A 24 15.133 9.385 -4.089 1.00 75.31 C ATOM 383 CE LYS A 24 15.520 8.893 -5.496 1.00 1.55 C ATOM 384 NZ LYS A 24 16.998 8.817 -5.681 1.00 61.34 N ATOM 0 H LYS A 24 12.449 7.555 -2.083 1.00 71.41 H new ATOM 0 HA LYS A 24 14.787 9.070 -1.355 1.00 73.54 H new ATOM 0 HB2 LYS A 24 12.078 9.964 -2.468 1.00 15.34 H new ATOM 0 HB3 LYS A 24 13.504 10.978 -2.367 1.00 15.34 H new ATOM 0 HG2 LYS A 24 13.158 8.506 -4.110 1.00 2.24 H new ATOM 0 HG3 LYS A 24 13.200 10.171 -4.655 1.00 2.24 H new ATOM 0 HD2 LYS A 24 15.581 10.362 -3.911 1.00 75.31 H new ATOM 0 HD3 LYS A 24 15.543 8.705 -3.342 1.00 75.31 H new ATOM 0 HE2 LYS A 24 15.083 7.909 -5.668 1.00 1.55 H new ATOM 0 HE3 LYS A 24 15.096 9.564 -6.243 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 17.211 8.481 -6.642 1.00 61.34 H new ATOM 0 HZ2 LYS A 24 17.414 9.760 -5.544 1.00 61.34 H new ATOM 0 HZ3 LYS A 24 17.401 8.156 -4.986 1.00 61.34 H new ATOM 398 N HIS A 25 12.091 9.237 0.515 1.00 62.20 N ATOM 399 CA HIS A 25 11.545 9.648 1.822 1.00 45.14 C ATOM 400 C HIS A 25 12.362 8.980 2.942 1.00 2.42 C ATOM 401 O HIS A 25 12.798 9.637 3.899 1.00 32.24 O ATOM 402 CB HIS A 25 10.038 9.255 1.915 1.00 22.34 C ATOM 403 CG HIS A 25 9.338 9.625 3.210 1.00 14.23 C ATOM 404 ND1 HIS A 25 8.516 10.723 3.290 1.00 45.41 N ATOM 405 CD2 HIS A 25 9.309 8.973 4.405 1.00 62.23 C ATOM 406 CE1 HIS A 25 8.011 10.710 4.512 1.00 53.11 C ATOM 407 NE2 HIS A 25 8.463 9.670 5.220 1.00 31.14 N ATOM 0 H HIS A 25 11.511 8.554 0.027 1.00 62.20 H new ATOM 0 HA HIS A 25 11.618 10.730 1.933 1.00 45.14 H new ATOM 0 HB2 HIS A 25 9.507 9.728 1.089 1.00 22.34 H new ATOM 0 HB3 HIS A 25 9.953 8.178 1.773 1.00 22.34 H new ATOM 0 HD2 HIS A 25 9.852 8.075 4.660 1.00 62.23 H new ATOM 0 HE1 HIS A 25 7.319 11.448 4.891 1.00 53.11 H new ATOM 0 HE2 HIS A 25 8.222 9.441 6.184 1.00 31.14 H new ATOM 415 N ASP A 26 12.578 7.668 2.772 1.00 51.41 N ATOM 416 CA ASP A 26 13.255 6.808 3.752 1.00 35.12 C ATOM 417 C ASP A 26 13.721 5.496 3.054 1.00 14.41 C ATOM 418 O ASP A 26 12.883 4.730 2.561 1.00 32.20 O ATOM 419 CB ASP A 26 12.299 6.483 4.925 1.00 63.35 C ATOM 420 CG ASP A 26 12.984 5.710 6.065 1.00 72.10 C ATOM 421 OD1 ASP A 26 13.055 4.470 5.998 1.00 73.12 O ATOM 422 OD2 ASP A 26 13.466 6.345 7.036 1.00 42.22 O ATOM 0 H ASP A 26 12.282 7.166 1.935 1.00 51.41 H new ATOM 0 HA ASP A 26 14.125 7.329 4.151 1.00 35.12 H new ATOM 0 HB2 ASP A 26 11.889 7.412 5.320 1.00 63.35 H new ATOM 0 HB3 ASP A 26 11.459 5.898 4.550 1.00 63.35 H new ATOM 427 N PRO A 27 15.062 5.200 3.024 1.00 54.31 N ATOM 428 CA PRO A 27 15.616 4.026 2.298 1.00 34.14 C ATOM 429 C PRO A 27 15.514 2.693 3.084 1.00 4.14 C ATOM 430 O PRO A 27 15.942 1.645 2.577 1.00 13.02 O ATOM 431 CB PRO A 27 17.085 4.442 2.080 1.00 11.13 C ATOM 432 CG PRO A 27 17.423 5.262 3.289 1.00 44.41 C ATOM 433 CD PRO A 27 16.149 5.985 3.684 1.00 54.22 C ATOM 0 HA PRO A 27 15.064 3.812 1.383 1.00 34.14 H new ATOM 0 HB2 PRO A 27 17.736 3.572 1.995 1.00 11.13 H new ATOM 0 HB3 PRO A 27 17.203 5.019 1.163 1.00 11.13 H new ATOM 0 HG2 PRO A 27 17.778 4.628 4.102 1.00 44.41 H new ATOM 0 HG3 PRO A 27 18.220 5.972 3.067 1.00 44.41 H new ATOM 0 HD2 PRO A 27 16.023 6.007 4.766 1.00 54.22 H new ATOM 0 HD3 PRO A 27 16.156 7.020 3.343 1.00 54.22 H new ATOM 441 N ASN A 28 14.971 2.740 4.315 1.00 52.34 N ATOM 442 CA ASN A 28 14.809 1.541 5.178 1.00 52.12 C ATOM 443 C ASN A 28 13.421 0.905 4.975 1.00 23.42 C ATOM 444 O ASN A 28 13.234 -0.277 5.302 1.00 51.11 O ATOM 445 CB ASN A 28 15.020 1.901 6.680 1.00 33.34 C ATOM 446 CG ASN A 28 16.472 2.219 7.084 1.00 41.30 C ATOM 447 OD1 ASN A 28 16.880 1.936 8.216 1.00 12.50 O ATOM 448 ND2 ASN A 28 17.259 2.838 6.206 1.00 50.52 N ATOM 0 H ASN A 28 14.632 3.602 4.743 1.00 52.34 H new ATOM 0 HA ASN A 28 15.570 0.817 4.887 1.00 52.12 H new ATOM 0 HB2 ASN A 28 14.397 2.762 6.921 1.00 33.34 H new ATOM 0 HB3 ASN A 28 14.665 1.070 7.289 1.00 33.34 H new ATOM 0 HD21 ASN A 28 18.214 3.086 6.464 1.00 50.52 H new ATOM 0 HD22 ASN A 28 16.906 3.064 5.276 1.00 50.52 H new ATOM 455 N VAL A 29 12.445 1.684 4.465 1.00 12.42 N ATOM 456 CA VAL A 29 11.094 1.159 4.159 1.00 24.44 C ATOM 457 C VAL A 29 11.179 0.152 2.993 1.00 5.54 C ATOM 458 O VAL A 29 11.778 0.451 1.945 1.00 11.22 O ATOM 459 CB VAL A 29 10.056 2.284 3.791 1.00 33.02 C ATOM 460 CG1 VAL A 29 8.622 1.710 3.643 1.00 41.53 C ATOM 461 CG2 VAL A 29 10.084 3.426 4.816 1.00 14.43 C ATOM 0 H VAL A 29 12.564 2.675 4.256 1.00 12.42 H new ATOM 0 HA VAL A 29 10.737 0.675 5.068 1.00 24.44 H new ATOM 0 HB VAL A 29 10.352 2.692 2.824 1.00 33.02 H new ATOM 0 HG11 VAL A 29 7.932 2.515 3.389 1.00 41.53 H new ATOM 0 HG12 VAL A 29 8.610 0.959 2.853 1.00 41.53 H new ATOM 0 HG13 VAL A 29 8.315 1.252 4.583 1.00 41.53 H new ATOM 0 HG21 VAL A 29 9.356 4.187 4.533 1.00 14.43 H new ATOM 0 HG22 VAL A 29 9.836 3.035 5.803 1.00 14.43 H new ATOM 0 HG23 VAL A 29 11.080 3.868 4.841 1.00 14.43 H new ATOM 471 N LYS A 30 10.584 -1.035 3.190 1.00 31.42 N ATOM 472 CA LYS A 30 10.609 -2.119 2.197 1.00 5.10 C ATOM 473 C LYS A 30 9.438 -1.956 1.225 1.00 22.41 C ATOM 474 O LYS A 30 8.348 -1.568 1.625 1.00 31.25 O ATOM 475 CB LYS A 30 10.580 -3.494 2.923 1.00 73.25 C ATOM 476 CG LYS A 30 11.773 -3.689 3.882 1.00 61.02 C ATOM 477 CD LYS A 30 13.156 -3.587 3.177 1.00 5.50 C ATOM 478 CE LYS A 30 13.658 -4.933 2.617 1.00 1.02 C ATOM 479 NZ LYS A 30 12.852 -5.433 1.470 1.00 22.32 N ATOM 0 H LYS A 30 10.073 -1.269 4.041 1.00 31.42 H new ATOM 0 HA LYS A 30 11.529 -2.073 1.614 1.00 5.10 H new ATOM 0 HB2 LYS A 30 9.650 -3.584 3.484 1.00 73.25 H new ATOM 0 HB3 LYS A 30 10.582 -4.292 2.180 1.00 73.25 H new ATOM 0 HG2 LYS A 30 11.720 -2.940 4.672 1.00 61.02 H new ATOM 0 HG3 LYS A 30 11.689 -4.664 4.361 1.00 61.02 H new ATOM 0 HD2 LYS A 30 13.088 -2.866 2.363 1.00 5.50 H new ATOM 0 HD3 LYS A 30 13.889 -3.200 3.885 1.00 5.50 H new ATOM 0 HE2 LYS A 30 14.696 -4.823 2.302 1.00 1.02 H new ATOM 0 HE3 LYS A 30 13.644 -5.677 3.413 1.00 1.02 H new ATOM 0 HZ1 LYS A 30 13.454 -6.009 0.847 1.00 22.32 H new ATOM 0 HZ2 LYS A 30 12.066 -6.014 1.825 1.00 22.32 H new ATOM 0 HZ3 LYS A 30 12.472 -4.626 0.935 1.00 22.32 H new ATOM 493 N THR A 31 9.693 -2.231 -0.051 1.00 61.02 N ATOM 494 CA THR A 31 8.705 -2.047 -1.141 1.00 22.13 C ATOM 495 C THR A 31 8.625 -3.327 -1.987 1.00 4.21 C ATOM 496 O THR A 31 9.623 -3.743 -2.576 1.00 14.52 O ATOM 497 CB THR A 31 9.096 -0.824 -2.034 1.00 31.13 C ATOM 498 OG1 THR A 31 10.493 -0.896 -2.380 1.00 14.12 O ATOM 499 CG2 THR A 31 8.814 0.527 -1.345 1.00 13.23 C ATOM 0 H THR A 31 10.592 -2.590 -0.373 1.00 61.02 H new ATOM 0 HA THR A 31 7.727 -1.849 -0.704 1.00 22.13 H new ATOM 0 HB THR A 31 8.478 -0.875 -2.930 1.00 31.13 H new ATOM 0 HG1 THR A 31 10.758 -1.835 -2.475 1.00 14.12 H new ATOM 0 HG21 THR A 31 9.104 1.341 -2.009 1.00 13.23 H new ATOM 0 HG22 THR A 31 7.751 0.605 -1.118 1.00 13.23 H new ATOM 0 HG23 THR A 31 9.388 0.591 -0.421 1.00 13.23 H new ATOM 507 N VAL A 32 7.429 -3.942 -2.053 1.00 1.14 N ATOM 508 CA VAL A 32 7.239 -5.283 -2.654 1.00 45.03 C ATOM 509 C VAL A 32 6.268 -5.203 -3.855 1.00 3.03 C ATOM 510 O VAL A 32 5.198 -4.611 -3.727 1.00 70.02 O ATOM 511 CB VAL A 32 6.671 -6.292 -1.584 1.00 54.22 C ATOM 512 CG1 VAL A 32 6.610 -7.735 -2.132 1.00 71.33 C ATOM 513 CG2 VAL A 32 7.490 -6.235 -0.281 1.00 61.44 C ATOM 0 H VAL A 32 6.569 -3.528 -1.694 1.00 1.14 H new ATOM 0 HA VAL A 32 8.209 -5.640 -3.001 1.00 45.03 H new ATOM 0 HB VAL A 32 5.650 -5.984 -1.360 1.00 54.22 H new ATOM 0 HG11 VAL A 32 6.213 -8.399 -1.364 1.00 71.33 H new ATOM 0 HG12 VAL A 32 5.962 -7.765 -3.008 1.00 71.33 H new ATOM 0 HG13 VAL A 32 7.612 -8.061 -2.411 1.00 71.33 H new ATOM 0 HG21 VAL A 32 7.077 -6.941 0.440 1.00 61.44 H new ATOM 0 HG22 VAL A 32 8.527 -6.497 -0.491 1.00 61.44 H new ATOM 0 HG23 VAL A 32 7.447 -5.227 0.132 1.00 61.44 H new ATOM 523 N PRO A 33 6.636 -5.779 -5.048 1.00 62.22 N ATOM 524 CA PRO A 33 5.718 -5.863 -6.214 1.00 3.44 C ATOM 525 C PRO A 33 4.699 -7.028 -6.105 1.00 71.12 C ATOM 526 O PRO A 33 4.782 -7.875 -5.198 1.00 61.21 O ATOM 527 CB PRO A 33 6.699 -6.061 -7.394 1.00 75.11 C ATOM 528 CG PRO A 33 7.848 -6.819 -6.811 1.00 21.44 C ATOM 529 CD PRO A 33 7.982 -6.339 -5.379 1.00 14.34 C ATOM 0 HA PRO A 33 5.082 -4.983 -6.312 1.00 3.44 H new ATOM 0 HB2 PRO A 33 6.232 -6.615 -8.208 1.00 75.11 H new ATOM 0 HB3 PRO A 33 7.023 -5.104 -7.804 1.00 75.11 H new ATOM 0 HG2 PRO A 33 7.665 -7.893 -6.847 1.00 21.44 H new ATOM 0 HG3 PRO A 33 8.764 -6.632 -7.372 1.00 21.44 H new ATOM 0 HD2 PRO A 33 8.248 -7.157 -4.709 1.00 14.34 H new ATOM 0 HD3 PRO A 33 8.761 -5.583 -5.284 1.00 14.34 H new ATOM 537 N THR A 34 3.769 -7.062 -7.072 1.00 42.33 N ATOM 538 CA THR A 34 2.628 -7.999 -7.109 1.00 43.33 C ATOM 539 C THR A 34 3.062 -9.475 -7.241 1.00 32.01 C ATOM 540 O THR A 34 2.436 -10.367 -6.651 1.00 71.31 O ATOM 541 CB THR A 34 1.687 -7.641 -8.299 1.00 54.52 C ATOM 542 OG1 THR A 34 2.402 -7.764 -9.545 1.00 3.24 O ATOM 543 CG2 THR A 34 1.152 -6.212 -8.192 1.00 62.24 C ATOM 0 H THR A 34 3.787 -6.426 -7.869 1.00 42.33 H new ATOM 0 HA THR A 34 2.108 -7.893 -6.157 1.00 43.33 H new ATOM 0 HB THR A 34 0.847 -8.335 -8.264 1.00 54.52 H new ATOM 0 HG1 THR A 34 1.804 -7.539 -10.289 1.00 3.24 H new ATOM 0 HG21 THR A 34 0.501 -6.003 -9.041 1.00 62.24 H new ATOM 0 HG22 THR A 34 0.588 -6.103 -7.266 1.00 62.24 H new ATOM 0 HG23 THR A 34 1.986 -5.510 -8.193 1.00 62.24 H new ATOM 551 N LYS A 35 4.131 -9.712 -8.034 1.00 13.24 N ATOM 552 CA LYS A 35 4.642 -11.073 -8.319 1.00 50.04 C ATOM 553 C LYS A 35 5.138 -11.760 -7.030 1.00 64.45 C ATOM 554 O LYS A 35 5.009 -12.978 -6.869 1.00 43.15 O ATOM 555 CB LYS A 35 5.760 -11.022 -9.403 1.00 25.11 C ATOM 556 CG LYS A 35 7.050 -10.290 -8.988 1.00 44.11 C ATOM 557 CD LYS A 35 8.104 -10.244 -10.122 1.00 43.02 C ATOM 558 CE LYS A 35 9.398 -9.523 -9.705 1.00 73.51 C ATOM 559 NZ LYS A 35 10.206 -10.308 -8.735 1.00 30.05 N ATOM 0 H LYS A 35 4.661 -8.971 -8.492 1.00 13.24 H new ATOM 0 HA LYS A 35 3.821 -11.672 -8.712 1.00 50.04 H new ATOM 0 HB2 LYS A 35 6.017 -12.043 -9.684 1.00 25.11 H new ATOM 0 HB3 LYS A 35 5.358 -10.538 -10.293 1.00 25.11 H new ATOM 0 HG2 LYS A 35 6.804 -9.272 -8.685 1.00 44.11 H new ATOM 0 HG3 LYS A 35 7.480 -10.786 -8.118 1.00 44.11 H new ATOM 0 HD2 LYS A 35 8.344 -11.262 -10.430 1.00 43.02 H new ATOM 0 HD3 LYS A 35 7.676 -9.741 -10.989 1.00 43.02 H new ATOM 0 HE2 LYS A 35 9.998 -9.321 -10.592 1.00 73.51 H new ATOM 0 HE3 LYS A 35 9.146 -8.558 -9.265 1.00 73.51 H new ATOM 0 HZ1 LYS A 35 11.175 -9.932 -8.706 1.00 30.05 H new ATOM 0 HZ2 LYS A 35 9.779 -10.236 -7.789 1.00 30.05 H new ATOM 0 HZ3 LYS A 35 10.230 -11.305 -9.030 1.00 30.05 H new ATOM 573 N ASP A 36 5.643 -10.945 -6.094 1.00 64.00 N ATOM 574 CA ASP A 36 6.182 -11.411 -4.807 1.00 52.01 C ATOM 575 C ASP A 36 5.111 -11.399 -3.702 1.00 2.43 C ATOM 576 O ASP A 36 5.418 -11.123 -2.549 1.00 2.20 O ATOM 577 CB ASP A 36 7.397 -10.535 -4.411 1.00 3.55 C ATOM 578 CG ASP A 36 8.619 -10.803 -5.289 1.00 20.25 C ATOM 579 OD1 ASP A 36 9.281 -11.842 -5.090 1.00 70.13 O ATOM 580 OD2 ASP A 36 8.916 -9.998 -6.189 1.00 25.23 O ATOM 0 H ASP A 36 5.690 -9.933 -6.209 1.00 64.00 H new ATOM 0 HA ASP A 36 6.505 -12.446 -4.922 1.00 52.01 H new ATOM 0 HB2 ASP A 36 7.123 -9.483 -4.486 1.00 3.55 H new ATOM 0 HB3 ASP A 36 7.653 -10.724 -3.369 1.00 3.55 H new ATOM 585 N LYS A 37 3.864 -11.760 -4.065 1.00 4.54 N ATOM 586 CA LYS A 37 2.727 -11.875 -3.119 1.00 24.42 C ATOM 587 C LYS A 37 3.047 -12.847 -1.954 1.00 33.40 C ATOM 588 O LYS A 37 2.668 -12.607 -0.796 1.00 40.20 O ATOM 589 CB LYS A 37 1.452 -12.299 -3.907 1.00 71.20 C ATOM 590 CG LYS A 37 0.121 -12.294 -3.112 1.00 4.14 C ATOM 591 CD LYS A 37 -0.171 -13.617 -2.373 1.00 12.15 C ATOM 592 CE LYS A 37 -1.478 -13.575 -1.571 1.00 62.32 C ATOM 593 NZ LYS A 37 -1.750 -14.867 -0.888 1.00 53.13 N ATOM 0 H LYS A 37 3.612 -11.982 -5.028 1.00 4.54 H new ATOM 0 HA LYS A 37 2.545 -10.905 -2.656 1.00 24.42 H new ATOM 0 HB2 LYS A 37 1.342 -11.634 -4.763 1.00 71.20 H new ATOM 0 HB3 LYS A 37 1.611 -13.303 -4.302 1.00 71.20 H new ATOM 0 HG2 LYS A 37 0.146 -11.481 -2.386 1.00 4.14 H new ATOM 0 HG3 LYS A 37 -0.700 -12.084 -3.798 1.00 4.14 H new ATOM 0 HD2 LYS A 37 -0.221 -14.429 -3.098 1.00 12.15 H new ATOM 0 HD3 LYS A 37 0.656 -13.842 -1.699 1.00 12.15 H new ATOM 0 HE2 LYS A 37 -1.424 -12.777 -0.830 1.00 62.32 H new ATOM 0 HE3 LYS A 37 -2.306 -13.335 -2.238 1.00 62.32 H new ATOM 0 HZ1 LYS A 37 -2.642 -14.798 -0.357 1.00 53.13 H new ATOM 0 HZ2 LYS A 37 -1.827 -15.625 -1.596 1.00 53.13 H new ATOM 0 HZ3 LYS A 37 -0.972 -15.083 -0.232 1.00 53.13 H new ATOM 607 N GLU A 38 3.753 -13.938 -2.293 1.00 42.33 N ATOM 608 CA GLU A 38 4.243 -14.943 -1.325 1.00 3.13 C ATOM 609 C GLU A 38 5.272 -14.313 -0.359 1.00 61.25 C ATOM 610 O GLU A 38 5.230 -14.549 0.854 1.00 40.31 O ATOM 611 CB GLU A 38 4.878 -16.125 -2.092 1.00 65.12 C ATOM 612 CG GLU A 38 3.906 -16.909 -2.991 1.00 5.31 C ATOM 613 CD GLU A 38 4.608 -18.009 -3.805 1.00 42.52 C ATOM 614 OE1 GLU A 38 5.253 -18.894 -3.195 1.00 11.13 O ATOM 615 OE2 GLU A 38 4.530 -17.994 -5.057 1.00 72.03 O ATOM 0 H GLU A 38 4.005 -14.153 -3.258 1.00 42.33 H new ATOM 0 HA GLU A 38 3.403 -15.306 -0.733 1.00 3.13 H new ATOM 0 HB2 GLU A 38 5.693 -15.744 -2.708 1.00 65.12 H new ATOM 0 HB3 GLU A 38 5.318 -16.813 -1.370 1.00 65.12 H new ATOM 0 HG2 GLU A 38 3.129 -17.359 -2.373 1.00 5.31 H new ATOM 0 HG3 GLU A 38 3.410 -16.218 -3.673 1.00 5.31 H new ATOM 622 N LYS A 39 6.162 -13.486 -0.934 1.00 43.14 N ATOM 623 CA LYS A 39 7.220 -12.775 -0.184 1.00 45.31 C ATOM 624 C LYS A 39 6.650 -11.663 0.708 1.00 23.00 C ATOM 625 O LYS A 39 7.283 -11.314 1.682 1.00 24.32 O ATOM 626 CB LYS A 39 8.277 -12.191 -1.170 1.00 24.12 C ATOM 627 CG LYS A 39 9.282 -13.230 -1.709 1.00 62.50 C ATOM 628 CD LYS A 39 10.387 -13.588 -0.683 1.00 22.23 C ATOM 629 CE LYS A 39 11.227 -14.800 -1.117 1.00 43.42 C ATOM 630 NZ LYS A 39 10.421 -16.045 -1.107 1.00 32.30 N ATOM 0 H LYS A 39 6.171 -13.289 -1.935 1.00 43.14 H new ATOM 0 HA LYS A 39 7.700 -13.501 0.472 1.00 45.31 H new ATOM 0 HB2 LYS A 39 7.758 -11.734 -2.012 1.00 24.12 H new ATOM 0 HB3 LYS A 39 8.828 -11.397 -0.666 1.00 24.12 H new ATOM 0 HG2 LYS A 39 8.745 -14.137 -1.988 1.00 62.50 H new ATOM 0 HG3 LYS A 39 9.747 -12.842 -2.616 1.00 62.50 H new ATOM 0 HD2 LYS A 39 11.042 -12.728 -0.545 1.00 22.23 H new ATOM 0 HD3 LYS A 39 9.927 -13.797 0.283 1.00 22.23 H new ATOM 0 HE2 LYS A 39 11.625 -14.630 -2.117 1.00 43.42 H new ATOM 0 HE3 LYS A 39 12.081 -14.912 -0.449 1.00 43.42 H new ATOM 0 HZ1 LYS A 39 11.051 -16.865 -0.999 1.00 32.30 H new ATOM 0 HZ2 LYS A 39 9.749 -16.017 -0.314 1.00 32.30 H new ATOM 0 HZ3 LYS A 39 9.897 -16.127 -2.002 1.00 32.30 H new ATOM 644 N VAL A 40 5.461 -11.125 0.360 1.00 20.23 N ATOM 645 CA VAL A 40 4.828 -10.014 1.112 1.00 13.33 C ATOM 646 C VAL A 40 4.671 -10.356 2.611 1.00 74.40 C ATOM 647 O VAL A 40 5.028 -9.551 3.467 1.00 71.23 O ATOM 648 CB VAL A 40 3.425 -9.607 0.523 1.00 45.33 C ATOM 649 CG1 VAL A 40 2.759 -8.531 1.395 1.00 71.24 C ATOM 650 CG2 VAL A 40 3.529 -9.122 -0.937 1.00 30.12 C ATOM 0 H VAL A 40 4.916 -11.443 -0.441 1.00 20.23 H new ATOM 0 HA VAL A 40 5.503 -9.165 1.006 1.00 13.33 H new ATOM 0 HB VAL A 40 2.804 -10.503 0.529 1.00 45.33 H new ATOM 0 HG11 VAL A 40 1.791 -8.265 0.969 1.00 71.24 H new ATOM 0 HG12 VAL A 40 2.618 -8.917 2.405 1.00 71.24 H new ATOM 0 HG13 VAL A 40 3.395 -7.646 1.431 1.00 71.24 H new ATOM 0 HG21 VAL A 40 2.538 -8.852 -1.302 1.00 30.12 H new ATOM 0 HG22 VAL A 40 4.183 -8.252 -0.986 1.00 30.12 H new ATOM 0 HG23 VAL A 40 3.939 -9.919 -1.557 1.00 30.12 H new ATOM 660 N LYS A 41 4.158 -11.577 2.890 1.00 64.22 N ATOM 661 CA LYS A 41 3.997 -12.127 4.252 1.00 11.43 C ATOM 662 C LYS A 41 5.339 -12.039 5.007 1.00 33.54 C ATOM 663 O LYS A 41 5.405 -11.553 6.148 1.00 14.12 O ATOM 664 CB LYS A 41 3.490 -13.609 4.138 1.00 43.32 C ATOM 665 CG LYS A 41 3.094 -14.329 5.459 1.00 51.43 C ATOM 666 CD LYS A 41 4.289 -14.758 6.355 1.00 43.03 C ATOM 667 CE LYS A 41 3.864 -15.539 7.609 1.00 74.42 C ATOM 668 NZ LYS A 41 3.322 -16.886 7.286 1.00 4.54 N ATOM 0 H LYS A 41 3.840 -12.216 2.162 1.00 64.22 H new ATOM 0 HA LYS A 41 3.263 -11.552 4.816 1.00 11.43 H new ATOM 0 HB2 LYS A 41 2.625 -13.620 3.475 1.00 43.32 H new ATOM 0 HB3 LYS A 41 4.270 -14.197 3.654 1.00 43.32 H new ATOM 0 HG2 LYS A 41 2.446 -13.669 6.035 1.00 51.43 H new ATOM 0 HG3 LYS A 41 2.508 -15.214 5.211 1.00 51.43 H new ATOM 0 HD2 LYS A 41 4.971 -15.372 5.768 1.00 43.03 H new ATOM 0 HD3 LYS A 41 4.842 -13.870 6.660 1.00 43.03 H new ATOM 0 HE2 LYS A 41 4.721 -15.646 8.274 1.00 74.42 H new ATOM 0 HE3 LYS A 41 3.110 -14.968 8.150 1.00 74.42 H new ATOM 0 HZ1 LYS A 41 3.098 -17.390 8.167 1.00 4.54 H new ATOM 0 HZ2 LYS A 41 2.458 -16.785 6.716 1.00 4.54 H new ATOM 0 HZ3 LYS A 41 4.030 -17.426 6.749 1.00 4.54 H new ATOM 682 N GLU A 42 6.396 -12.479 4.305 1.00 54.34 N ATOM 683 CA GLU A 42 7.757 -12.584 4.845 1.00 21.40 C ATOM 684 C GLU A 42 8.320 -11.186 5.143 1.00 14.32 C ATOM 685 O GLU A 42 8.887 -10.956 6.206 1.00 51.10 O ATOM 686 CB GLU A 42 8.665 -13.364 3.841 1.00 11.45 C ATOM 687 CG GLU A 42 8.087 -14.730 3.399 1.00 4.13 C ATOM 688 CD GLU A 42 8.999 -15.501 2.432 1.00 43.22 C ATOM 689 OE1 GLU A 42 10.062 -15.987 2.873 1.00 50.53 O ATOM 690 OE2 GLU A 42 8.653 -15.643 1.242 1.00 73.12 O ATOM 0 H GLU A 42 6.325 -12.776 3.332 1.00 54.34 H new ATOM 0 HA GLU A 42 7.733 -13.138 5.783 1.00 21.40 H new ATOM 0 HB2 GLU A 42 8.826 -12.746 2.957 1.00 11.45 H new ATOM 0 HB3 GLU A 42 9.641 -13.525 4.299 1.00 11.45 H new ATOM 0 HG2 GLU A 42 7.908 -15.342 4.283 1.00 4.13 H new ATOM 0 HG3 GLU A 42 7.120 -14.569 2.922 1.00 4.13 H new ATOM 697 N GLU A 43 8.073 -10.255 4.214 1.00 53.11 N ATOM 698 CA GLU A 43 8.590 -8.879 4.265 1.00 40.44 C ATOM 699 C GLU A 43 7.892 -8.036 5.353 1.00 14.24 C ATOM 700 O GLU A 43 8.508 -7.146 5.944 1.00 74.04 O ATOM 701 CB GLU A 43 8.401 -8.208 2.884 1.00 61.01 C ATOM 702 CG GLU A 43 9.204 -8.830 1.728 1.00 4.45 C ATOM 703 CD GLU A 43 10.721 -8.727 1.911 1.00 25.30 C ATOM 704 OE1 GLU A 43 11.239 -7.592 1.964 1.00 1.51 O ATOM 705 OE2 GLU A 43 11.406 -9.767 1.987 1.00 13.24 O ATOM 0 H GLU A 43 7.499 -10.438 3.391 1.00 53.11 H new ATOM 0 HA GLU A 43 9.649 -8.930 4.519 1.00 40.44 H new ATOM 0 HB2 GLU A 43 7.342 -8.240 2.626 1.00 61.01 H new ATOM 0 HB3 GLU A 43 8.676 -7.157 2.970 1.00 61.01 H new ATOM 0 HG2 GLU A 43 8.929 -9.880 1.629 1.00 4.45 H new ATOM 0 HG3 GLU A 43 8.924 -8.338 0.796 1.00 4.45 H new ATOM 712 N ILE A 44 6.591 -8.300 5.577 1.00 5.13 N ATOM 713 CA ILE A 44 5.802 -7.658 6.641 1.00 13.11 C ATOM 714 C ILE A 44 6.303 -8.152 8.021 1.00 35.24 C ATOM 715 O ILE A 44 6.444 -7.366 8.961 1.00 70.31 O ATOM 716 CB ILE A 44 4.255 -7.952 6.472 1.00 70.22 C ATOM 717 CG1 ILE A 44 3.678 -7.274 5.187 1.00 35.03 C ATOM 718 CG2 ILE A 44 3.452 -7.513 7.716 1.00 41.30 C ATOM 719 CD1 ILE A 44 2.190 -7.515 4.960 1.00 10.22 C ATOM 0 H ILE A 44 6.057 -8.968 5.021 1.00 5.13 H new ATOM 0 HA ILE A 44 5.937 -6.579 6.571 1.00 13.11 H new ATOM 0 HB ILE A 44 4.150 -9.032 6.364 1.00 70.22 H new ATOM 0 HG12 ILE A 44 3.854 -6.200 5.248 1.00 35.03 H new ATOM 0 HG13 ILE A 44 4.229 -7.639 4.320 1.00 35.03 H new ATOM 0 HG21 ILE A 44 2.395 -7.731 7.562 1.00 41.30 H new ATOM 0 HG22 ILE A 44 3.811 -8.055 8.591 1.00 41.30 H new ATOM 0 HG23 ILE A 44 3.583 -6.442 7.874 1.00 41.30 H new ATOM 0 HD11 ILE A 44 1.875 -7.009 4.048 1.00 10.22 H new ATOM 0 HD12 ILE A 44 2.005 -8.585 4.864 1.00 10.22 H new ATOM 0 HD13 ILE A 44 1.625 -7.124 5.806 1.00 10.22 H new ATOM 731 N GLU A 45 6.589 -9.468 8.097 1.00 13.01 N ATOM 732 CA GLU A 45 7.161 -10.126 9.294 1.00 62.31 C ATOM 733 C GLU A 45 8.568 -9.551 9.613 1.00 14.03 C ATOM 734 O GLU A 45 8.933 -9.352 10.779 1.00 11.41 O ATOM 735 CB GLU A 45 7.221 -11.662 9.060 1.00 43.33 C ATOM 736 CG GLU A 45 7.724 -12.482 10.258 1.00 74.32 C ATOM 737 CD GLU A 45 7.824 -13.981 9.947 1.00 11.22 C ATOM 738 OE1 GLU A 45 6.823 -14.708 10.134 1.00 22.03 O ATOM 739 OE2 GLU A 45 8.901 -14.436 9.495 1.00 21.42 O ATOM 0 H GLU A 45 6.428 -10.112 7.322 1.00 13.01 H new ATOM 0 HA GLU A 45 6.523 -9.928 10.155 1.00 62.31 H new ATOM 0 HB2 GLU A 45 6.224 -12.013 8.792 1.00 43.33 H new ATOM 0 HB3 GLU A 45 7.869 -11.859 8.206 1.00 43.33 H new ATOM 0 HG2 GLU A 45 8.703 -12.112 10.562 1.00 74.32 H new ATOM 0 HG3 GLU A 45 7.051 -12.334 11.103 1.00 74.32 H new ATOM 746 N LYS A 46 9.324 -9.258 8.539 1.00 15.12 N ATOM 747 CA LYS A 46 10.660 -8.637 8.619 1.00 33.42 C ATOM 748 C LYS A 46 10.560 -7.177 9.080 1.00 21.12 C ATOM 749 O LYS A 46 11.392 -6.704 9.860 1.00 71.14 O ATOM 750 CB LYS A 46 11.360 -8.722 7.237 1.00 61.24 C ATOM 751 CG LYS A 46 11.826 -10.142 6.835 1.00 73.42 C ATOM 752 CD LYS A 46 12.142 -10.262 5.327 1.00 24.30 C ATOM 753 CE LYS A 46 13.211 -9.272 4.851 1.00 1.51 C ATOM 754 NZ LYS A 46 14.526 -9.522 5.490 1.00 14.52 N ATOM 0 H LYS A 46 9.023 -9.447 7.583 1.00 15.12 H new ATOM 0 HA LYS A 46 11.253 -9.180 9.355 1.00 33.42 H new ATOM 0 HB2 LYS A 46 10.676 -8.349 6.475 1.00 61.24 H new ATOM 0 HB3 LYS A 46 12.225 -8.058 7.241 1.00 61.24 H new ATOM 0 HG2 LYS A 46 12.714 -10.405 7.410 1.00 73.42 H new ATOM 0 HG3 LYS A 46 11.051 -10.862 7.098 1.00 73.42 H new ATOM 0 HD2 LYS A 46 12.476 -11.277 5.112 1.00 24.30 H new ATOM 0 HD3 LYS A 46 11.227 -10.100 4.757 1.00 24.30 H new ATOM 0 HE2 LYS A 46 13.315 -9.344 3.768 1.00 1.51 H new ATOM 0 HE3 LYS A 46 12.888 -8.255 5.073 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 15.219 -8.830 5.140 1.00 14.52 H new ATOM 0 HZ2 LYS A 46 14.434 -9.428 6.522 1.00 14.52 H new ATOM 0 HZ3 LYS A 46 14.848 -10.483 5.257 1.00 14.52 H new ATOM 768 N ALA A 47 9.523 -6.477 8.591 1.00 51.31 N ATOM 769 CA ALA A 47 9.248 -5.084 8.964 1.00 43.34 C ATOM 770 C ALA A 47 8.921 -4.992 10.470 1.00 31.14 C ATOM 771 O ALA A 47 9.409 -4.110 11.163 1.00 55.32 O ATOM 772 CB ALA A 47 8.106 -4.534 8.096 1.00 43.05 C ATOM 0 H ALA A 47 8.853 -6.863 7.926 1.00 51.31 H new ATOM 0 HA ALA A 47 10.132 -4.472 8.784 1.00 43.34 H new ATOM 0 HB1 ALA A 47 7.903 -3.500 8.374 1.00 43.05 H new ATOM 0 HB2 ALA A 47 8.394 -4.577 7.046 1.00 43.05 H new ATOM 0 HB3 ALA A 47 7.209 -5.134 8.251 1.00 43.05 H new ATOM 778 N ARG A 48 8.145 -5.968 10.965 1.00 43.23 N ATOM 779 CA ARG A 48 7.816 -6.113 12.403 1.00 42.43 C ATOM 780 C ARG A 48 9.083 -6.314 13.266 1.00 61.13 C ATOM 781 O ARG A 48 9.215 -5.720 14.338 1.00 23.52 O ATOM 782 CB ARG A 48 6.864 -7.313 12.588 1.00 44.35 C ATOM 783 CG ARG A 48 5.444 -7.106 12.038 1.00 30.34 C ATOM 784 CD ARG A 48 4.672 -8.439 11.947 1.00 24.45 C ATOM 785 NE ARG A 48 4.828 -9.286 13.139 1.00 63.32 N ATOM 786 CZ ARG A 48 4.211 -9.128 14.320 1.00 24.44 C ATOM 787 NH1 ARG A 48 3.355 -8.133 14.538 1.00 53.32 N ATOM 788 NH2 ARG A 48 4.486 -9.970 15.299 1.00 53.43 N ATOM 0 H ARG A 48 7.722 -6.688 10.379 1.00 43.23 H new ATOM 0 HA ARG A 48 7.334 -5.193 12.735 1.00 42.43 H new ATOM 0 HB2 ARG A 48 7.303 -8.184 12.101 1.00 44.35 H new ATOM 0 HB3 ARG A 48 6.796 -7.543 13.651 1.00 44.35 H new ATOM 0 HG2 ARG A 48 4.901 -6.413 12.681 1.00 30.34 H new ATOM 0 HG3 ARG A 48 5.499 -6.648 11.050 1.00 30.34 H new ATOM 0 HD2 ARG A 48 3.613 -8.228 11.796 1.00 24.45 H new ATOM 0 HD3 ARG A 48 5.015 -8.990 11.071 1.00 24.45 H new ATOM 0 HE ARG A 48 5.471 -10.074 13.060 1.00 63.32 H new ATOM 0 HH11 ARG A 48 3.152 -7.463 13.796 1.00 53.32 H new ATOM 0 HH12 ARG A 48 2.902 -8.040 15.447 1.00 53.32 H new ATOM 0 HH21 ARG A 48 5.157 -10.724 15.150 1.00 53.43 H new ATOM 0 HH22 ARG A 48 4.028 -9.867 16.204 1.00 53.43 H new ATOM 802 N LYS A 49 10.010 -7.152 12.759 1.00 1.54 N ATOM 803 CA LYS A 49 11.263 -7.506 13.457 1.00 53.23 C ATOM 804 C LYS A 49 12.165 -6.254 13.605 1.00 54.12 C ATOM 805 O LYS A 49 12.751 -6.013 14.663 1.00 65.02 O ATOM 806 CB LYS A 49 12.004 -8.639 12.661 1.00 52.31 C ATOM 807 CG LYS A 49 12.842 -9.637 13.506 1.00 1.11 C ATOM 808 CD LYS A 49 14.054 -9.008 14.227 1.00 42.33 C ATOM 809 CE LYS A 49 14.788 -10.002 15.137 1.00 0.21 C ATOM 810 NZ LYS A 49 15.932 -9.362 15.846 1.00 40.25 N ATOM 0 H LYS A 49 9.910 -7.604 11.850 1.00 1.54 H new ATOM 0 HA LYS A 49 11.031 -7.874 14.456 1.00 53.23 H new ATOM 0 HB2 LYS A 49 11.261 -9.205 12.100 1.00 52.31 H new ATOM 0 HB3 LYS A 49 12.664 -8.169 11.932 1.00 52.31 H new ATOM 0 HG2 LYS A 49 12.192 -10.098 14.250 1.00 1.11 H new ATOM 0 HG3 LYS A 49 13.197 -10.435 12.855 1.00 1.11 H new ATOM 0 HD2 LYS A 49 14.751 -8.620 13.484 1.00 42.33 H new ATOM 0 HD3 LYS A 49 13.716 -8.159 14.822 1.00 42.33 H new ATOM 0 HE2 LYS A 49 14.090 -10.410 15.868 1.00 0.21 H new ATOM 0 HE3 LYS A 49 15.152 -10.840 14.542 1.00 0.21 H new ATOM 0 HZ1 LYS A 49 16.403 -10.065 16.451 1.00 40.25 H new ATOM 0 HZ2 LYS A 49 16.611 -8.995 15.149 1.00 40.25 H new ATOM 0 HZ3 LYS A 49 15.582 -8.579 16.434 1.00 40.25 H new ATOM 824 N GLN A 50 12.222 -5.449 12.531 1.00 3.21 N ATOM 825 CA GLN A 50 13.106 -4.269 12.451 1.00 21.13 C ATOM 826 C GLN A 50 12.372 -2.980 12.877 1.00 51.20 C ATOM 827 O GLN A 50 12.979 -1.901 12.854 1.00 12.03 O ATOM 828 CB GLN A 50 13.676 -4.137 11.004 1.00 11.41 C ATOM 829 CG GLN A 50 14.397 -5.405 10.483 1.00 2.53 C ATOM 830 CD GLN A 50 15.577 -5.885 11.353 1.00 34.54 C ATOM 831 OE1 GLN A 50 16.281 -5.093 11.985 1.00 72.11 O ATOM 832 NE2 GLN A 50 15.787 -7.196 11.404 1.00 45.11 N ATOM 0 H GLN A 50 11.658 -5.596 11.694 1.00 3.21 H new ATOM 0 HA GLN A 50 13.933 -4.410 13.147 1.00 21.13 H new ATOM 0 HB2 GLN A 50 12.859 -3.894 10.325 1.00 11.41 H new ATOM 0 HB3 GLN A 50 14.373 -3.300 10.976 1.00 11.41 H new ATOM 0 HG2 GLN A 50 13.669 -6.213 10.406 1.00 2.53 H new ATOM 0 HG3 GLN A 50 14.764 -5.209 9.475 1.00 2.53 H new ATOM 0 HE21 GLN A 50 15.190 -7.829 10.872 1.00 45.11 H new ATOM 0 HE22 GLN A 50 16.545 -7.569 11.975 1.00 45.11 H new ATOM 841 N GLY A 51 11.074 -3.103 13.269 1.00 61.23 N ATOM 842 CA GLY A 51 10.268 -1.958 13.736 1.00 13.15 C ATOM 843 C GLY A 51 10.110 -0.863 12.681 1.00 2.12 C ATOM 844 O GLY A 51 10.184 0.332 12.977 1.00 24.02 O ATOM 0 H GLY A 51 10.569 -3.989 13.268 1.00 61.23 H new ATOM 0 HA2 GLY A 51 9.281 -2.313 14.032 1.00 13.15 H new ATOM 0 HA3 GLY A 51 10.734 -1.533 14.625 1.00 13.15 H new ATOM 848 N ARG A 52 9.904 -1.299 11.441 1.00 32.01 N ATOM 849 CA ARG A 52 9.808 -0.441 10.249 1.00 73.43 C ATOM 850 C ARG A 52 8.477 -0.681 9.503 1.00 44.44 C ATOM 851 O ARG A 52 7.824 -1.708 9.721 1.00 21.04 O ATOM 852 CB ARG A 52 11.032 -0.717 9.315 1.00 5.34 C ATOM 853 CG ARG A 52 12.337 -0.014 9.761 1.00 51.11 C ATOM 854 CD ARG A 52 12.169 1.516 9.820 1.00 33.35 C ATOM 855 NE ARG A 52 13.425 2.224 10.096 1.00 74.01 N ATOM 856 CZ ARG A 52 13.731 3.435 9.600 1.00 34.44 C ATOM 857 NH1 ARG A 52 12.874 4.076 8.814 1.00 24.32 N ATOM 858 NH2 ARG A 52 14.893 3.986 9.887 1.00 15.14 N ATOM 0 H ARG A 52 9.795 -2.290 11.224 1.00 32.01 H new ATOM 0 HA ARG A 52 9.824 0.604 10.558 1.00 73.43 H new ATOM 0 HB2 ARG A 52 11.207 -1.792 9.272 1.00 5.34 H new ATOM 0 HB3 ARG A 52 10.785 -0.393 8.304 1.00 5.34 H new ATOM 0 HG2 ARG A 52 12.633 -0.386 10.742 1.00 51.11 H new ATOM 0 HG3 ARG A 52 13.141 -0.265 9.069 1.00 51.11 H new ATOM 0 HD2 ARG A 52 11.762 1.867 8.872 1.00 33.35 H new ATOM 0 HD3 ARG A 52 11.441 1.766 10.592 1.00 33.35 H new ATOM 0 HE ARG A 52 14.108 1.769 10.702 1.00 74.01 H new ATOM 0 HH11 ARG A 52 11.977 3.650 8.583 1.00 24.32 H new ATOM 0 HH12 ARG A 52 13.113 4.995 8.441 1.00 24.32 H new ATOM 0 HH21 ARG A 52 15.557 3.494 10.484 1.00 15.14 H new ATOM 0 HH22 ARG A 52 15.128 4.905 9.512 1.00 15.14 H new ATOM 872 N PRO A 53 8.024 0.294 8.651 1.00 63.12 N ATOM 873 CA PRO A 53 6.878 0.086 7.740 1.00 62.41 C ATOM 874 C PRO A 53 7.262 -0.667 6.444 1.00 54.41 C ATOM 875 O PRO A 53 8.438 -1.007 6.218 1.00 34.44 O ATOM 876 CB PRO A 53 6.437 1.530 7.431 1.00 3.33 C ATOM 877 CG PRO A 53 7.709 2.306 7.449 1.00 45.13 C ATOM 878 CD PRO A 53 8.545 1.694 8.552 1.00 53.52 C ATOM 0 HA PRO A 53 6.102 -0.537 8.185 1.00 62.41 H new ATOM 0 HB2 PRO A 53 5.942 1.598 6.462 1.00 3.33 H new ATOM 0 HB3 PRO A 53 5.733 1.900 8.176 1.00 3.33 H new ATOM 0 HG2 PRO A 53 8.220 2.242 6.489 1.00 45.13 H new ATOM 0 HG3 PRO A 53 7.521 3.362 7.640 1.00 45.13 H new ATOM 0 HD2 PRO A 53 9.607 1.710 8.307 1.00 53.52 H new ATOM 0 HD3 PRO A 53 8.427 2.234 9.492 1.00 53.52 H new ATOM 886 N ILE A 54 6.253 -0.884 5.587 1.00 23.41 N ATOM 887 CA ILE A 54 6.417 -1.577 4.306 1.00 74.04 C ATOM 888 C ILE A 54 5.291 -1.149 3.344 1.00 53.01 C ATOM 889 O ILE A 54 4.119 -1.162 3.714 1.00 74.42 O ATOM 890 CB ILE A 54 6.435 -3.150 4.484 1.00 14.30 C ATOM 891 CG1 ILE A 54 6.442 -3.866 3.096 1.00 4.41 C ATOM 892 CG2 ILE A 54 5.266 -3.647 5.369 1.00 12.13 C ATOM 893 CD1 ILE A 54 6.417 -5.375 3.155 1.00 64.03 C ATOM 0 H ILE A 54 5.296 -0.581 5.767 1.00 23.41 H new ATOM 0 HA ILE A 54 7.382 -1.295 3.885 1.00 74.04 H new ATOM 0 HB ILE A 54 7.357 -3.409 5.004 1.00 14.30 H new ATOM 0 HG12 ILE A 54 5.579 -3.526 2.524 1.00 4.41 H new ATOM 0 HG13 ILE A 54 7.331 -3.554 2.548 1.00 4.41 H new ATOM 0 HG21 ILE A 54 5.317 -4.732 5.464 1.00 12.13 H new ATOM 0 HG22 ILE A 54 5.339 -3.192 6.357 1.00 12.13 H new ATOM 0 HG23 ILE A 54 4.318 -3.368 4.910 1.00 12.13 H new ATOM 0 HD11 ILE A 54 6.424 -5.779 2.143 1.00 64.03 H new ATOM 0 HD12 ILE A 54 7.294 -5.733 3.694 1.00 64.03 H new ATOM 0 HD13 ILE A 54 5.515 -5.704 3.671 1.00 64.03 H new ATOM 905 N VAL A 55 5.663 -0.741 2.121 1.00 10.14 N ATOM 906 CA VAL A 55 4.708 -0.376 1.066 1.00 12.23 C ATOM 907 C VAL A 55 4.607 -1.519 0.036 1.00 32.41 C ATOM 908 O VAL A 55 5.560 -1.784 -0.700 1.00 14.11 O ATOM 909 CB VAL A 55 5.131 0.960 0.349 1.00 61.25 C ATOM 910 CG1 VAL A 55 4.074 1.400 -0.680 1.00 4.34 C ATOM 911 CG2 VAL A 55 5.400 2.083 1.371 1.00 54.13 C ATOM 0 H VAL A 55 6.639 -0.655 1.836 1.00 10.14 H new ATOM 0 HA VAL A 55 3.734 -0.215 1.529 1.00 12.23 H new ATOM 0 HB VAL A 55 6.060 0.763 -0.186 1.00 61.25 H new ATOM 0 HG11 VAL A 55 4.395 2.325 -1.158 1.00 4.34 H new ATOM 0 HG12 VAL A 55 3.956 0.623 -1.435 1.00 4.34 H new ATOM 0 HG13 VAL A 55 3.121 1.563 -0.176 1.00 4.34 H new ATOM 0 HG21 VAL A 55 5.690 2.992 0.845 1.00 54.13 H new ATOM 0 HG22 VAL A 55 4.496 2.272 1.950 1.00 54.13 H new ATOM 0 HG23 VAL A 55 6.204 1.780 2.041 1.00 54.13 H new ATOM 921 N VAL A 56 3.459 -2.203 0.006 1.00 44.52 N ATOM 922 CA VAL A 56 3.190 -3.307 -0.930 1.00 11.24 C ATOM 923 C VAL A 56 2.376 -2.781 -2.119 1.00 44.24 C ATOM 924 O VAL A 56 1.247 -2.324 -1.943 1.00 32.10 O ATOM 925 CB VAL A 56 2.399 -4.466 -0.222 1.00 31.42 C ATOM 926 CG1 VAL A 56 2.158 -5.663 -1.172 1.00 75.35 C ATOM 927 CG2 VAL A 56 3.125 -4.912 1.067 1.00 4.33 C ATOM 0 H VAL A 56 2.681 -2.007 0.635 1.00 44.52 H new ATOM 0 HA VAL A 56 4.143 -3.705 -1.278 1.00 11.24 H new ATOM 0 HB VAL A 56 1.419 -4.076 0.054 1.00 31.42 H new ATOM 0 HG11 VAL A 56 1.608 -6.442 -0.644 1.00 75.35 H new ATOM 0 HG12 VAL A 56 1.580 -5.332 -2.035 1.00 75.35 H new ATOM 0 HG13 VAL A 56 3.116 -6.059 -1.508 1.00 75.35 H new ATOM 0 HG21 VAL A 56 2.562 -5.715 1.543 1.00 4.33 H new ATOM 0 HG22 VAL A 56 4.124 -5.268 0.817 1.00 4.33 H new ATOM 0 HG23 VAL A 56 3.202 -4.068 1.752 1.00 4.33 H new ATOM 937 N PHE A 57 2.961 -2.826 -3.315 1.00 41.14 N ATOM 938 CA PHE A 57 2.298 -2.400 -4.544 1.00 2.01 C ATOM 939 C PHE A 57 1.472 -3.558 -5.110 1.00 2.25 C ATOM 940 O PHE A 57 2.014 -4.575 -5.558 1.00 3.35 O ATOM 941 CB PHE A 57 3.352 -1.886 -5.547 1.00 70.43 C ATOM 942 CG PHE A 57 4.092 -0.665 -5.004 1.00 12.12 C ATOM 943 CD1 PHE A 57 3.485 0.593 -5.022 1.00 33.21 C ATOM 944 CD2 PHE A 57 5.361 -0.779 -4.437 1.00 63.12 C ATOM 945 CE1 PHE A 57 4.121 1.695 -4.492 1.00 75.33 C ATOM 946 CE2 PHE A 57 5.996 0.328 -3.914 1.00 54.03 C ATOM 947 CZ PHE A 57 5.377 1.563 -3.940 1.00 74.41 C ATOM 0 H PHE A 57 3.914 -3.161 -3.458 1.00 41.14 H new ATOM 0 HA PHE A 57 1.611 -1.578 -4.340 1.00 2.01 H new ATOM 0 HB2 PHE A 57 4.067 -2.680 -5.764 1.00 70.43 H new ATOM 0 HB3 PHE A 57 2.866 -1.629 -6.488 1.00 70.43 H new ATOM 0 HD1 PHE A 57 2.503 0.704 -5.458 1.00 33.21 H new ATOM 0 HD2 PHE A 57 5.850 -1.741 -4.407 1.00 63.12 H new ATOM 0 HE1 PHE A 57 3.636 2.660 -4.509 1.00 75.33 H new ATOM 0 HE2 PHE A 57 6.981 0.229 -3.482 1.00 54.03 H new ATOM 0 HZ PHE A 57 5.878 2.426 -3.527 1.00 74.41 H new ATOM 957 N VAL A 58 0.156 -3.392 -5.015 1.00 61.55 N ATOM 958 CA VAL A 58 -0.847 -4.335 -5.516 1.00 72.32 C ATOM 959 C VAL A 58 -1.398 -3.785 -6.850 1.00 25.00 C ATOM 960 O VAL A 58 -1.534 -2.580 -6.999 1.00 14.43 O ATOM 961 CB VAL A 58 -1.996 -4.501 -4.442 1.00 40.34 C ATOM 962 CG1 VAL A 58 -3.107 -5.456 -4.919 1.00 64.43 C ATOM 963 CG2 VAL A 58 -1.424 -4.970 -3.081 1.00 3.12 C ATOM 0 H VAL A 58 -0.258 -2.571 -4.573 1.00 61.55 H new ATOM 0 HA VAL A 58 -0.409 -5.318 -5.689 1.00 72.32 H new ATOM 0 HB VAL A 58 -2.447 -3.517 -4.310 1.00 40.34 H new ATOM 0 HG11 VAL A 58 -3.873 -5.537 -4.148 1.00 64.43 H new ATOM 0 HG12 VAL A 58 -3.554 -5.067 -5.834 1.00 64.43 H new ATOM 0 HG13 VAL A 58 -2.682 -6.441 -5.113 1.00 64.43 H new ATOM 0 HG21 VAL A 58 -2.236 -5.076 -2.362 1.00 3.12 H new ATOM 0 HG22 VAL A 58 -0.924 -5.930 -3.208 1.00 3.12 H new ATOM 0 HG23 VAL A 58 -0.708 -4.234 -2.714 1.00 3.12 H new ATOM 973 N ARG A 59 -1.680 -4.659 -7.828 1.00 33.41 N ATOM 974 CA ARG A 59 -2.238 -4.234 -9.129 1.00 62.11 C ATOM 975 C ARG A 59 -3.771 -4.145 -8.987 1.00 31.33 C ATOM 976 O ARG A 59 -4.355 -4.886 -8.193 1.00 51.22 O ATOM 977 CB ARG A 59 -1.811 -5.246 -10.234 1.00 51.33 C ATOM 978 CG ARG A 59 -2.137 -4.832 -11.680 1.00 24.20 C ATOM 979 CD ARG A 59 -1.657 -5.868 -12.719 1.00 34.02 C ATOM 980 NE ARG A 59 -0.183 -5.995 -12.764 1.00 15.40 N ATOM 981 CZ ARG A 59 0.501 -6.936 -13.452 1.00 0.41 C ATOM 982 NH1 ARG A 59 -0.134 -7.871 -14.177 1.00 23.31 N ATOM 983 NH2 ARG A 59 1.831 -6.934 -13.407 1.00 2.42 N ATOM 0 H ARG A 59 -1.532 -5.665 -7.747 1.00 33.41 H new ATOM 0 HA ARG A 59 -1.857 -3.256 -9.422 1.00 62.11 H new ATOM 0 HB2 ARG A 59 -0.736 -5.409 -10.156 1.00 51.33 H new ATOM 0 HB3 ARG A 59 -2.294 -6.202 -10.032 1.00 51.33 H new ATOM 0 HG2 ARG A 59 -3.214 -4.695 -11.780 1.00 24.20 H new ATOM 0 HG3 ARG A 59 -1.672 -3.869 -11.892 1.00 24.20 H new ATOM 0 HD2 ARG A 59 -2.094 -6.839 -12.486 1.00 34.02 H new ATOM 0 HD3 ARG A 59 -2.023 -5.583 -13.705 1.00 34.02 H new ATOM 0 HE ARG A 59 0.362 -5.316 -12.232 1.00 15.40 H new ATOM 0 HH11 ARG A 59 -1.153 -7.881 -14.216 1.00 23.31 H new ATOM 0 HH12 ARG A 59 0.403 -8.572 -14.688 1.00 23.31 H new ATOM 0 HH21 ARG A 59 2.322 -6.228 -12.858 1.00 2.42 H new ATOM 0 HH22 ARG A 59 2.360 -7.638 -13.921 1.00 2.42 H new ATOM 997 N GLY A 60 -4.404 -3.229 -9.739 1.00 44.44 N ATOM 998 CA GLY A 60 -5.856 -3.038 -9.703 1.00 12.21 C ATOM 999 C GLY A 60 -6.589 -4.241 -10.304 1.00 71.21 C ATOM 1000 O GLY A 60 -6.694 -4.346 -11.525 1.00 2.55 O ATOM 0 H GLY A 60 -3.922 -2.604 -10.385 1.00 44.44 H new ATOM 0 HA2 GLY A 60 -6.180 -2.889 -8.673 1.00 12.21 H new ATOM 0 HA3 GLY A 60 -6.120 -2.136 -10.254 1.00 12.21 H new ATOM 1004 N GLY A 61 -7.045 -5.155 -9.425 1.00 42.04 N ATOM 1005 CA GLY A 61 -7.657 -6.441 -9.820 1.00 71.53 C ATOM 1006 C GLY A 61 -7.060 -7.605 -9.030 1.00 60.01 C ATOM 1007 O GLY A 61 -7.504 -8.754 -9.161 1.00 40.25 O ATOM 0 H GLY A 61 -6.999 -5.022 -8.415 1.00 42.04 H new ATOM 0 HA2 GLY A 61 -8.734 -6.400 -9.654 1.00 71.53 H new ATOM 0 HA3 GLY A 61 -7.505 -6.606 -10.887 1.00 71.53 H new ATOM 1011 N ASP A 62 -6.048 -7.292 -8.197 1.00 32.32 N ATOM 1012 CA ASP A 62 -5.391 -8.251 -7.283 1.00 74.43 C ATOM 1013 C ASP A 62 -5.965 -8.111 -5.858 1.00 33.43 C ATOM 1014 O ASP A 62 -5.242 -8.248 -4.872 1.00 74.44 O ATOM 1015 CB ASP A 62 -3.852 -7.996 -7.251 1.00 44.43 C ATOM 1016 CG ASP A 62 -3.078 -8.283 -8.541 1.00 42.44 C ATOM 1017 OD1 ASP A 62 -3.685 -8.527 -9.600 1.00 65.11 O ATOM 1018 OD2 ASP A 62 -1.829 -8.249 -8.492 1.00 34.03 O ATOM 0 H ASP A 62 -5.657 -6.352 -8.138 1.00 32.32 H new ATOM 0 HA ASP A 62 -5.581 -9.260 -7.648 1.00 74.43 H new ATOM 0 HB2 ASP A 62 -3.686 -6.953 -6.980 1.00 44.43 H new ATOM 0 HB3 ASP A 62 -3.423 -8.605 -6.455 1.00 44.43 H new ATOM 1023 N ASP A 63 -7.271 -7.875 -5.767 1.00 51.42 N ATOM 1024 CA ASP A 63 -7.967 -7.631 -4.486 1.00 73.22 C ATOM 1025 C ASP A 63 -8.029 -8.898 -3.597 1.00 14.11 C ATOM 1026 O ASP A 63 -8.093 -8.785 -2.370 1.00 51.43 O ATOM 1027 CB ASP A 63 -9.379 -7.063 -4.762 1.00 21.20 C ATOM 1028 CG ASP A 63 -9.322 -5.769 -5.588 1.00 52.04 C ATOM 1029 OD1 ASP A 63 -9.282 -5.857 -6.833 1.00 61.41 O ATOM 1030 OD2 ASP A 63 -9.306 -4.666 -4.999 1.00 44.42 O ATOM 0 H ASP A 63 -7.888 -7.845 -6.578 1.00 51.42 H new ATOM 0 HA ASP A 63 -7.392 -6.896 -3.923 1.00 73.22 H new ATOM 0 HB2 ASP A 63 -9.973 -7.807 -5.293 1.00 21.20 H new ATOM 0 HB3 ASP A 63 -9.884 -6.868 -3.816 1.00 21.20 H new ATOM 1035 N GLU A 64 -8.002 -10.093 -4.224 1.00 54.53 N ATOM 1036 CA GLU A 64 -7.923 -11.394 -3.509 1.00 73.43 C ATOM 1037 C GLU A 64 -6.571 -11.511 -2.768 1.00 62.44 C ATOM 1038 O GLU A 64 -6.491 -12.084 -1.682 1.00 34.53 O ATOM 1039 CB GLU A 64 -8.121 -12.567 -4.512 1.00 71.44 C ATOM 1040 CG GLU A 64 -8.066 -13.977 -3.888 1.00 72.51 C ATOM 1041 CD GLU A 64 -8.226 -15.093 -4.927 1.00 73.21 C ATOM 1042 OE1 GLU A 64 -7.223 -15.457 -5.576 1.00 1.15 O ATOM 1043 OE2 GLU A 64 -9.350 -15.611 -5.107 1.00 73.30 O ATOM 0 H GLU A 64 -8.034 -10.188 -5.239 1.00 54.53 H new ATOM 0 HA GLU A 64 -8.720 -11.446 -2.767 1.00 73.43 H new ATOM 0 HB2 GLU A 64 -9.084 -12.443 -5.007 1.00 71.44 H new ATOM 0 HB3 GLU A 64 -7.355 -12.498 -5.284 1.00 71.44 H new ATOM 0 HG2 GLU A 64 -7.116 -14.103 -3.370 1.00 72.51 H new ATOM 0 HG3 GLU A 64 -8.852 -14.069 -3.139 1.00 72.51 H new ATOM 1050 N ARG A 65 -5.528 -10.934 -3.371 1.00 14.03 N ATOM 1051 CA ARG A 65 -4.200 -10.822 -2.744 1.00 2.30 C ATOM 1052 C ARG A 65 -4.229 -9.741 -1.648 1.00 4.10 C ATOM 1053 O ARG A 65 -3.799 -9.981 -0.522 1.00 70.02 O ATOM 1054 CB ARG A 65 -3.130 -10.480 -3.823 1.00 30.32 C ATOM 1055 CG ARG A 65 -3.009 -11.524 -4.959 1.00 3.42 C ATOM 1056 CD ARG A 65 -1.983 -11.112 -6.035 1.00 51.35 C ATOM 1057 NE ARG A 65 -1.717 -12.201 -6.997 1.00 70.34 N ATOM 1058 CZ ARG A 65 -1.091 -12.054 -8.178 1.00 20.35 C ATOM 1059 NH1 ARG A 65 -0.655 -10.860 -8.584 1.00 31.12 N ATOM 1060 NH2 ARG A 65 -0.879 -13.117 -8.949 1.00 54.25 N ATOM 0 H ARG A 65 -5.576 -10.531 -4.307 1.00 14.03 H new ATOM 0 HA ARG A 65 -3.937 -11.775 -2.286 1.00 2.30 H new ATOM 0 HB2 ARG A 65 -3.370 -9.511 -4.261 1.00 30.32 H new ATOM 0 HB3 ARG A 65 -2.160 -10.378 -3.336 1.00 30.32 H new ATOM 0 HG2 ARG A 65 -2.719 -12.485 -4.535 1.00 3.42 H new ATOM 0 HG3 ARG A 65 -3.984 -11.662 -5.426 1.00 3.42 H new ATOM 0 HD2 ARG A 65 -2.352 -10.238 -6.571 1.00 51.35 H new ATOM 0 HD3 ARG A 65 -1.050 -10.820 -5.553 1.00 51.35 H new ATOM 0 HE ARG A 65 -2.033 -13.138 -6.746 1.00 70.34 H new ATOM 0 HH11 ARG A 65 -0.794 -10.039 -7.995 1.00 31.12 H new ATOM 0 HH12 ARG A 65 -0.182 -10.768 -9.483 1.00 31.12 H new ATOM 0 HH21 ARG A 65 -1.191 -14.039 -8.644 1.00 54.25 H new ATOM 0 HH22 ARG A 65 -0.405 -13.010 -9.846 1.00 54.25 H new ATOM 1074 N ALA A 66 -4.812 -8.574 -1.994 1.00 41.33 N ATOM 1075 CA ALA A 66 -4.828 -7.371 -1.140 1.00 24.02 C ATOM 1076 C ALA A 66 -5.545 -7.603 0.196 1.00 2.51 C ATOM 1077 O ALA A 66 -5.128 -7.063 1.216 1.00 31.43 O ATOM 1078 CB ALA A 66 -5.478 -6.201 -1.903 1.00 21.41 C ATOM 0 H ALA A 66 -5.290 -8.441 -2.885 1.00 41.33 H new ATOM 0 HA ALA A 66 -3.793 -7.127 -0.901 1.00 24.02 H new ATOM 0 HB1 ALA A 66 -5.488 -5.314 -1.269 1.00 21.41 H new ATOM 0 HB2 ALA A 66 -4.906 -5.994 -2.808 1.00 21.41 H new ATOM 0 HB3 ALA A 66 -6.500 -6.466 -2.173 1.00 21.41 H new ATOM 1084 N LYS A 67 -6.620 -8.418 0.176 1.00 25.11 N ATOM 1085 CA LYS A 67 -7.403 -8.734 1.387 1.00 72.01 C ATOM 1086 C LYS A 67 -6.572 -9.569 2.380 1.00 52.11 C ATOM 1087 O LYS A 67 -6.616 -9.320 3.575 1.00 71.14 O ATOM 1088 CB LYS A 67 -8.732 -9.474 1.030 1.00 51.50 C ATOM 1089 CG LYS A 67 -8.549 -10.883 0.421 1.00 65.32 C ATOM 1090 CD LYS A 67 -9.868 -11.658 0.182 1.00 73.21 C ATOM 1091 CE LYS A 67 -9.610 -13.063 -0.397 1.00 3.05 C ATOM 1092 NZ LYS A 67 -10.872 -13.806 -0.687 1.00 41.24 N ATOM 0 H LYS A 67 -6.966 -8.871 -0.670 1.00 25.11 H new ATOM 0 HA LYS A 67 -7.662 -7.789 1.864 1.00 72.01 H new ATOM 0 HB2 LYS A 67 -9.337 -9.560 1.933 1.00 51.50 H new ATOM 0 HB3 LYS A 67 -9.295 -8.860 0.327 1.00 51.50 H new ATOM 0 HG2 LYS A 67 -8.021 -10.789 -0.528 1.00 65.32 H new ATOM 0 HG3 LYS A 67 -7.912 -11.471 1.083 1.00 65.32 H new ATOM 0 HD2 LYS A 67 -10.413 -11.747 1.122 1.00 73.21 H new ATOM 0 HD3 LYS A 67 -10.502 -11.094 -0.502 1.00 73.21 H new ATOM 0 HE2 LYS A 67 -9.027 -12.973 -1.314 1.00 3.05 H new ATOM 0 HE3 LYS A 67 -9.009 -13.637 0.308 1.00 3.05 H new ATOM 0 HZ1 LYS A 67 -10.642 -14.743 -1.074 1.00 41.24 H new ATOM 0 HZ2 LYS A 67 -11.418 -13.918 0.191 1.00 41.24 H new ATOM 0 HZ3 LYS A 67 -11.436 -13.274 -1.380 1.00 41.24 H new ATOM 1106 N ASP A 68 -5.802 -10.537 1.845 1.00 24.20 N ATOM 1107 CA ASP A 68 -4.956 -11.460 2.637 1.00 41.40 C ATOM 1108 C ASP A 68 -3.763 -10.729 3.264 1.00 20.15 C ATOM 1109 O ASP A 68 -3.400 -10.986 4.414 1.00 24.02 O ATOM 1110 CB ASP A 68 -4.463 -12.638 1.739 1.00 74.21 C ATOM 1111 CG ASP A 68 -5.514 -13.753 1.585 1.00 40.23 C ATOM 1112 OD1 ASP A 68 -6.403 -13.640 0.722 1.00 21.52 O ATOM 1113 OD2 ASP A 68 -5.459 -14.748 2.344 1.00 13.11 O ATOM 0 H ASP A 68 -5.747 -10.704 0.840 1.00 24.20 H new ATOM 0 HA ASP A 68 -5.562 -11.860 3.450 1.00 41.40 H new ATOM 0 HB2 ASP A 68 -4.202 -12.253 0.753 1.00 74.21 H new ATOM 0 HB3 ASP A 68 -3.554 -13.059 2.168 1.00 74.21 H new ATOM 1118 N ILE A 69 -3.170 -9.822 2.483 1.00 50.42 N ATOM 1119 CA ILE A 69 -2.037 -9.002 2.911 1.00 1.24 C ATOM 1120 C ILE A 69 -2.490 -8.014 4.015 1.00 44.14 C ATOM 1121 O ILE A 69 -1.843 -7.892 5.062 1.00 65.43 O ATOM 1122 CB ILE A 69 -1.448 -8.232 1.673 1.00 54.11 C ATOM 1123 CG1 ILE A 69 -0.898 -9.232 0.595 1.00 34.03 C ATOM 1124 CG2 ILE A 69 -0.365 -7.237 2.118 1.00 31.03 C ATOM 1125 CD1 ILE A 69 -0.481 -8.584 -0.725 1.00 31.33 C ATOM 0 H ILE A 69 -3.468 -9.636 1.525 1.00 50.42 H new ATOM 0 HA ILE A 69 -1.257 -9.641 3.325 1.00 1.24 H new ATOM 0 HB ILE A 69 -2.255 -7.664 1.210 1.00 54.11 H new ATOM 0 HG12 ILE A 69 -0.040 -9.759 1.012 1.00 34.03 H new ATOM 0 HG13 ILE A 69 -1.663 -9.981 0.390 1.00 34.03 H new ATOM 0 HG21 ILE A 69 0.030 -6.715 1.246 1.00 31.03 H new ATOM 0 HG22 ILE A 69 -0.797 -6.514 2.809 1.00 31.03 H new ATOM 0 HG23 ILE A 69 0.442 -7.776 2.614 1.00 31.03 H new ATOM 0 HD11 ILE A 69 -0.115 -9.351 -1.407 1.00 31.33 H new ATOM 0 HD12 ILE A 69 -1.340 -8.082 -1.171 1.00 31.33 H new ATOM 0 HD13 ILE A 69 0.309 -7.856 -0.539 1.00 31.33 H new ATOM 1137 N ALA A 70 -3.639 -7.361 3.768 1.00 64.41 N ATOM 1138 CA ALA A 70 -4.223 -6.357 4.673 1.00 30.51 C ATOM 1139 C ALA A 70 -4.726 -6.982 5.980 1.00 74.23 C ATOM 1140 O ALA A 70 -4.625 -6.372 7.041 1.00 23.12 O ATOM 1141 CB ALA A 70 -5.374 -5.644 3.963 1.00 35.25 C ATOM 0 H ALA A 70 -4.193 -7.517 2.926 1.00 64.41 H new ATOM 0 HA ALA A 70 -3.440 -5.644 4.932 1.00 30.51 H new ATOM 0 HB1 ALA A 70 -5.808 -4.900 4.631 1.00 35.25 H new ATOM 0 HB2 ALA A 70 -4.999 -5.151 3.066 1.00 35.25 H new ATOM 0 HB3 ALA A 70 -6.137 -6.372 3.685 1.00 35.25 H new ATOM 1147 N GLU A 71 -5.287 -8.200 5.871 1.00 50.41 N ATOM 1148 CA GLU A 71 -5.804 -8.956 7.022 1.00 33.15 C ATOM 1149 C GLU A 71 -4.647 -9.466 7.880 1.00 32.33 C ATOM 1150 O GLU A 71 -4.725 -9.432 9.104 1.00 51.34 O ATOM 1151 CB GLU A 71 -6.671 -10.145 6.540 1.00 3.33 C ATOM 1152 CG GLU A 71 -7.240 -11.036 7.659 1.00 73.33 C ATOM 1153 CD GLU A 71 -7.956 -12.277 7.122 1.00 72.42 C ATOM 1154 OE1 GLU A 71 -7.282 -13.299 6.868 1.00 12.21 O ATOM 1155 OE2 GLU A 71 -9.194 -12.233 6.940 1.00 34.12 O ATOM 0 H GLU A 71 -5.394 -8.687 4.981 1.00 50.41 H new ATOM 0 HA GLU A 71 -6.424 -8.292 7.624 1.00 33.15 H new ATOM 0 HB2 GLU A 71 -7.501 -9.754 5.951 1.00 3.33 H new ATOM 0 HB3 GLU A 71 -6.071 -10.765 5.873 1.00 3.33 H new ATOM 0 HG2 GLU A 71 -6.429 -11.347 8.318 1.00 73.33 H new ATOM 0 HG3 GLU A 71 -7.936 -10.453 8.263 1.00 73.33 H new ATOM 1162 N TYR A 72 -3.566 -9.926 7.216 1.00 54.14 N ATOM 1163 CA TYR A 72 -2.346 -10.378 7.907 1.00 10.00 C ATOM 1164 C TYR A 72 -1.796 -9.217 8.739 1.00 61.21 C ATOM 1165 O TYR A 72 -1.727 -9.313 9.957 1.00 1.32 O ATOM 1166 CB TYR A 72 -1.288 -10.914 6.893 1.00 12.23 C ATOM 1167 CG TYR A 72 0.061 -11.326 7.514 1.00 70.13 C ATOM 1168 CD1 TYR A 72 0.167 -12.444 8.351 1.00 61.31 C ATOM 1169 CD2 TYR A 72 1.229 -10.599 7.259 1.00 62.41 C ATOM 1170 CE1 TYR A 72 1.381 -12.809 8.909 1.00 12.41 C ATOM 1171 CE2 TYR A 72 2.441 -10.966 7.817 1.00 31.22 C ATOM 1172 CZ TYR A 72 2.512 -12.065 8.638 1.00 12.42 C ATOM 1173 OH TYR A 72 3.723 -12.427 9.192 1.00 21.53 O ATOM 0 H TYR A 72 -3.516 -9.993 6.199 1.00 54.14 H new ATOM 0 HA TYR A 72 -2.587 -11.209 8.570 1.00 10.00 H new ATOM 0 HB2 TYR A 72 -1.709 -11.774 6.373 1.00 12.23 H new ATOM 0 HB3 TYR A 72 -1.105 -10.146 6.142 1.00 12.23 H new ATOM 0 HD1 TYR A 72 -0.713 -13.032 8.565 1.00 61.31 H new ATOM 0 HD2 TYR A 72 1.184 -9.734 6.614 1.00 62.41 H new ATOM 0 HE1 TYR A 72 1.443 -13.673 9.554 1.00 12.41 H new ATOM 0 HE2 TYR A 72 3.330 -10.389 7.607 1.00 31.22 H new ATOM 0 HH TYR A 72 3.662 -13.340 9.543 1.00 21.53 H new ATOM 1183 N ALA A 73 -1.543 -8.086 8.064 1.00 15.25 N ATOM 1184 CA ALA A 73 -1.037 -6.850 8.685 1.00 32.12 C ATOM 1185 C ALA A 73 -1.960 -6.332 9.818 1.00 12.41 C ATOM 1186 O ALA A 73 -1.483 -5.774 10.814 1.00 32.40 O ATOM 1187 CB ALA A 73 -0.883 -5.791 7.598 1.00 33.35 C ATOM 0 H ALA A 73 -1.686 -8.002 7.058 1.00 15.25 H new ATOM 0 HA ALA A 73 -0.075 -7.067 9.148 1.00 32.12 H new ATOM 0 HB1 ALA A 73 -0.509 -4.868 8.040 1.00 33.35 H new ATOM 0 HB2 ALA A 73 -0.179 -6.143 6.844 1.00 33.35 H new ATOM 0 HB3 ALA A 73 -1.851 -5.604 7.132 1.00 33.35 H new ATOM 1193 N GLN A 74 -3.278 -6.547 9.646 1.00 70.53 N ATOM 1194 CA GLN A 74 -4.311 -6.193 10.641 1.00 41.44 C ATOM 1195 C GLN A 74 -4.100 -7.014 11.935 1.00 74.34 C ATOM 1196 O GLN A 74 -4.079 -6.471 13.044 1.00 12.32 O ATOM 1197 CB GLN A 74 -5.718 -6.481 10.045 1.00 62.21 C ATOM 1198 CG GLN A 74 -6.910 -5.959 10.870 1.00 4.21 C ATOM 1199 CD GLN A 74 -7.082 -4.440 10.796 1.00 54.32 C ATOM 1200 OE1 GLN A 74 -6.522 -3.687 11.597 1.00 52.43 O ATOM 1201 NE2 GLN A 74 -7.895 -3.985 9.853 1.00 75.20 N ATOM 0 H GLN A 74 -3.661 -6.976 8.803 1.00 70.53 H new ATOM 0 HA GLN A 74 -4.234 -5.134 10.885 1.00 41.44 H new ATOM 0 HB2 GLN A 74 -5.768 -6.041 9.049 1.00 62.21 H new ATOM 0 HB3 GLN A 74 -5.828 -7.559 9.923 1.00 62.21 H new ATOM 0 HG2 GLN A 74 -7.824 -6.438 10.518 1.00 4.21 H new ATOM 0 HG3 GLN A 74 -6.777 -6.252 11.912 1.00 4.21 H new ATOM 0 HE21 GLN A 74 -8.342 -4.636 9.207 1.00 75.20 H new ATOM 0 HE22 GLN A 74 -8.074 -2.984 9.773 1.00 75.20 H new ATOM 1210 N LYS A 75 -3.893 -8.331 11.743 1.00 73.40 N ATOM 1211 CA LYS A 75 -3.692 -9.306 12.834 1.00 74.13 C ATOM 1212 C LYS A 75 -2.320 -9.114 13.502 1.00 51.53 C ATOM 1213 O LYS A 75 -2.146 -9.465 14.666 1.00 23.43 O ATOM 1214 CB LYS A 75 -3.833 -10.751 12.282 1.00 53.01 C ATOM 1215 CG LYS A 75 -5.239 -11.075 11.715 1.00 13.31 C ATOM 1216 CD LYS A 75 -5.299 -12.452 11.011 1.00 55.10 C ATOM 1217 CE LYS A 75 -5.006 -13.627 11.956 1.00 32.53 C ATOM 1218 NZ LYS A 75 -5.016 -14.939 11.239 1.00 54.54 N ATOM 0 H LYS A 75 -3.860 -8.753 10.815 1.00 73.40 H new ATOM 0 HA LYS A 75 -4.457 -9.139 13.593 1.00 74.13 H new ATOM 0 HB2 LYS A 75 -3.092 -10.903 11.497 1.00 53.01 H new ATOM 0 HB3 LYS A 75 -3.602 -11.458 13.079 1.00 53.01 H new ATOM 0 HG2 LYS A 75 -5.966 -11.055 12.526 1.00 13.31 H new ATOM 0 HG3 LYS A 75 -5.529 -10.298 11.008 1.00 13.31 H new ATOM 0 HD2 LYS A 75 -6.287 -12.585 10.571 1.00 55.10 H new ATOM 0 HD3 LYS A 75 -4.581 -12.465 10.191 1.00 55.10 H new ATOM 0 HE2 LYS A 75 -4.035 -13.479 12.428 1.00 32.53 H new ATOM 0 HE3 LYS A 75 -5.748 -13.644 12.754 1.00 32.53 H new ATOM 0 HZ1 LYS A 75 -4.814 -15.705 11.913 1.00 54.54 H new ATOM 0 HZ2 LYS A 75 -5.951 -15.093 10.810 1.00 54.54 H new ATOM 0 HZ3 LYS A 75 -4.290 -14.933 10.494 1.00 54.54 H new ATOM 1232 N GLU A 76 -1.356 -8.539 12.753 1.00 2.53 N ATOM 1233 CA GLU A 76 -0.004 -8.259 13.269 1.00 52.44 C ATOM 1234 C GLU A 76 0.044 -6.926 14.061 1.00 64.12 C ATOM 1235 O GLU A 76 1.119 -6.519 14.527 1.00 13.31 O ATOM 1236 CB GLU A 76 1.020 -8.228 12.100 1.00 72.14 C ATOM 1237 CG GLU A 76 1.088 -9.495 11.221 1.00 11.51 C ATOM 1238 CD GLU A 76 1.322 -10.797 12.009 1.00 2.02 C ATOM 1239 OE1 GLU A 76 2.496 -11.172 12.227 1.00 42.32 O ATOM 1240 OE2 GLU A 76 0.334 -11.458 12.411 1.00 15.21 O ATOM 0 H GLU A 76 -1.493 -8.259 11.782 1.00 2.53 H new ATOM 0 HA GLU A 76 0.261 -9.061 13.958 1.00 52.44 H new ATOM 0 HB2 GLU A 76 0.783 -7.379 11.459 1.00 72.14 H new ATOM 0 HB3 GLU A 76 2.011 -8.046 12.517 1.00 72.14 H new ATOM 0 HG2 GLU A 76 0.158 -9.585 10.660 1.00 11.51 H new ATOM 0 HG3 GLU A 76 1.889 -9.375 10.492 1.00 11.51 H new ATOM 1247 N GLY A 77 -1.111 -6.250 14.192 1.00 33.32 N ATOM 1248 CA GLY A 77 -1.213 -4.989 14.938 1.00 12.04 C ATOM 1249 C GLY A 77 -0.453 -3.855 14.269 1.00 51.03 C ATOM 1250 O GLY A 77 0.270 -3.088 14.924 1.00 31.43 O ATOM 0 H GLY A 77 -1.993 -6.562 13.786 1.00 33.32 H new ATOM 0 HA2 GLY A 77 -2.263 -4.711 15.035 1.00 12.04 H new ATOM 0 HA3 GLY A 77 -0.828 -5.135 15.947 1.00 12.04 H new ATOM 1254 N LEU A 78 -0.594 -3.793 12.939 1.00 23.12 N ATOM 1255 CA LEU A 78 0.063 -2.786 12.095 1.00 34.53 C ATOM 1256 C LEU A 78 -1.027 -1.917 11.464 1.00 63.04 C ATOM 1257 O LEU A 78 -2.050 -2.453 11.024 1.00 31.03 O ATOM 1258 CB LEU A 78 0.906 -3.485 10.983 1.00 44.43 C ATOM 1259 CG LEU A 78 1.823 -4.665 11.437 1.00 33.31 C ATOM 1260 CD1 LEU A 78 2.534 -5.307 10.242 1.00 63.55 C ATOM 1261 CD2 LEU A 78 2.841 -4.236 12.495 1.00 40.34 C ATOM 0 H LEU A 78 -1.173 -4.447 12.413 1.00 23.12 H new ATOM 0 HA LEU A 78 0.736 -2.172 12.693 1.00 34.53 H new ATOM 0 HB2 LEU A 78 0.222 -3.859 10.222 1.00 44.43 H new ATOM 0 HB3 LEU A 78 1.532 -2.731 10.506 1.00 44.43 H new ATOM 0 HG LEU A 78 1.169 -5.408 11.894 1.00 33.31 H new ATOM 0 HD11 LEU A 78 3.165 -6.125 10.590 1.00 63.55 H new ATOM 0 HD12 LEU A 78 1.793 -5.693 9.542 1.00 63.55 H new ATOM 0 HD13 LEU A 78 3.151 -4.561 9.742 1.00 63.55 H new ATOM 0 HD21 LEU A 78 3.454 -5.092 12.778 1.00 40.34 H new ATOM 0 HD22 LEU A 78 3.479 -3.451 12.089 1.00 40.34 H new ATOM 0 HD23 LEU A 78 2.316 -3.860 13.373 1.00 40.34 H new ATOM 1273 N ARG A 79 -0.827 -0.587 11.431 1.00 31.33 N ATOM 1274 CA ARG A 79 -1.780 0.338 10.794 1.00 34.43 C ATOM 1275 C ARG A 79 -1.813 0.079 9.274 1.00 31.31 C ATOM 1276 O ARG A 79 -0.811 0.289 8.588 1.00 32.11 O ATOM 1277 CB ARG A 79 -1.439 1.833 11.096 1.00 72.42 C ATOM 1278 CG ARG A 79 -1.658 2.266 12.570 1.00 15.10 C ATOM 1279 CD ARG A 79 -0.454 1.992 13.492 1.00 32.10 C ATOM 1280 NE ARG A 79 0.664 2.907 13.191 1.00 63.12 N ATOM 1281 CZ ARG A 79 1.688 3.204 14.012 1.00 34.45 C ATOM 1282 NH1 ARG A 79 1.782 2.659 15.226 1.00 11.45 N ATOM 1283 NH2 ARG A 79 2.612 4.074 13.610 1.00 34.43 N ATOM 0 H ARG A 79 -0.012 -0.129 11.839 1.00 31.33 H new ATOM 0 HA ARG A 79 -2.768 0.150 11.215 1.00 34.43 H new ATOM 0 HB2 ARG A 79 -0.398 2.014 10.830 1.00 72.42 H new ATOM 0 HB3 ARG A 79 -2.048 2.467 10.452 1.00 72.42 H new ATOM 0 HG2 ARG A 79 -1.885 3.332 12.594 1.00 15.10 H new ATOM 0 HG3 ARG A 79 -2.530 1.745 12.965 1.00 15.10 H new ATOM 0 HD2 ARG A 79 -0.755 2.110 14.533 1.00 32.10 H new ATOM 0 HD3 ARG A 79 -0.126 0.960 13.370 1.00 32.10 H new ATOM 0 HE ARG A 79 0.660 3.356 12.275 1.00 63.12 H new ATOM 0 HH11 ARG A 79 1.069 2.004 15.547 1.00 11.45 H new ATOM 0 HH12 ARG A 79 2.566 2.898 15.833 1.00 11.45 H new ATOM 0 HH21 ARG A 79 2.539 4.507 12.689 1.00 34.43 H new ATOM 0 HH22 ARG A 79 3.393 4.308 14.223 1.00 34.43 H new ATOM 1297 N VAL A 80 -2.960 -0.407 8.773 1.00 33.12 N ATOM 1298 CA VAL A 80 -3.122 -0.776 7.360 1.00 2.32 C ATOM 1299 C VAL A 80 -3.703 0.415 6.591 1.00 73.32 C ATOM 1300 O VAL A 80 -4.786 0.905 6.918 1.00 55.52 O ATOM 1301 CB VAL A 80 -4.063 -2.032 7.170 1.00 74.42 C ATOM 1302 CG1 VAL A 80 -4.104 -2.479 5.689 1.00 51.55 C ATOM 1303 CG2 VAL A 80 -3.633 -3.196 8.089 1.00 72.33 C ATOM 0 H VAL A 80 -3.798 -0.554 9.335 1.00 33.12 H new ATOM 0 HA VAL A 80 -2.138 -1.042 6.973 1.00 2.32 H new ATOM 0 HB VAL A 80 -5.072 -1.736 7.458 1.00 74.42 H new ATOM 0 HG11 VAL A 80 -4.759 -3.345 5.588 1.00 51.55 H new ATOM 0 HG12 VAL A 80 -4.483 -1.663 5.073 1.00 51.55 H new ATOM 0 HG13 VAL A 80 -3.099 -2.744 5.361 1.00 51.55 H new ATOM 0 HG21 VAL A 80 -4.299 -4.045 7.936 1.00 72.33 H new ATOM 0 HG22 VAL A 80 -2.610 -3.489 7.851 1.00 72.33 H new ATOM 0 HG23 VAL A 80 -3.686 -2.877 9.130 1.00 72.33 H new ATOM 1313 N ILE A 81 -2.935 0.901 5.618 1.00 74.32 N ATOM 1314 CA ILE A 81 -3.345 1.956 4.687 1.00 11.11 C ATOM 1315 C ILE A 81 -3.505 1.298 3.306 1.00 32.55 C ATOM 1316 O ILE A 81 -2.801 0.343 3.007 1.00 32.50 O ATOM 1317 CB ILE A 81 -2.300 3.158 4.640 1.00 74.54 C ATOM 1318 CG1 ILE A 81 -2.350 4.047 5.933 1.00 73.24 C ATOM 1319 CG2 ILE A 81 -2.521 4.056 3.399 1.00 52.32 C ATOM 1320 CD1 ILE A 81 -1.819 3.397 7.197 1.00 13.41 C ATOM 0 H ILE A 81 -1.987 0.565 5.449 1.00 74.32 H new ATOM 0 HA ILE A 81 -4.284 2.400 5.017 1.00 11.11 H new ATOM 0 HB ILE A 81 -1.316 2.693 4.579 1.00 74.54 H new ATOM 0 HG12 ILE A 81 -1.781 4.958 5.748 1.00 73.24 H new ATOM 0 HG13 ILE A 81 -3.384 4.346 6.107 1.00 73.24 H new ATOM 0 HG21 ILE A 81 -1.790 4.865 3.400 1.00 52.32 H new ATOM 0 HG22 ILE A 81 -2.402 3.461 2.494 1.00 52.32 H new ATOM 0 HG23 ILE A 81 -3.527 4.475 3.428 1.00 52.32 H new ATOM 0 HD11 ILE A 81 -1.900 4.097 8.028 1.00 13.41 H new ATOM 0 HD12 ILE A 81 -2.401 2.502 7.418 1.00 13.41 H new ATOM 0 HD13 ILE A 81 -0.774 3.124 7.054 1.00 13.41 H new ATOM 1332 N VAL A 82 -4.480 1.758 2.508 1.00 71.25 N ATOM 1333 CA VAL A 82 -4.701 1.282 1.125 1.00 22.40 C ATOM 1334 C VAL A 82 -4.819 2.517 0.213 1.00 71.24 C ATOM 1335 O VAL A 82 -5.760 3.273 0.351 1.00 64.31 O ATOM 1336 CB VAL A 82 -6.015 0.397 1.034 1.00 53.21 C ATOM 1337 CG1 VAL A 82 -6.350 0.015 -0.423 1.00 1.05 C ATOM 1338 CG2 VAL A 82 -5.915 -0.869 1.925 1.00 64.41 C ATOM 0 H VAL A 82 -5.144 2.475 2.801 1.00 71.25 H new ATOM 0 HA VAL A 82 -3.866 0.656 0.810 1.00 22.40 H new ATOM 0 HB VAL A 82 -6.833 1.010 1.413 1.00 53.21 H new ATOM 0 HG11 VAL A 82 -7.256 -0.590 -0.441 1.00 1.05 H new ATOM 0 HG12 VAL A 82 -6.507 0.920 -1.010 1.00 1.05 H new ATOM 0 HG13 VAL A 82 -5.524 -0.555 -0.849 1.00 1.05 H new ATOM 0 HG21 VAL A 82 -6.833 -1.450 1.836 1.00 64.41 H new ATOM 0 HG22 VAL A 82 -5.069 -1.476 1.601 1.00 64.41 H new ATOM 0 HG23 VAL A 82 -5.772 -0.572 2.964 1.00 64.41 H new ATOM 1348 N ILE A 83 -3.853 2.739 -0.696 1.00 62.21 N ATOM 1349 CA ILE A 83 -3.873 3.904 -1.613 1.00 55.32 C ATOM 1350 C ILE A 83 -4.165 3.437 -3.042 1.00 44.32 C ATOM 1351 O ILE A 83 -3.317 2.838 -3.695 1.00 33.41 O ATOM 1352 CB ILE A 83 -2.515 4.707 -1.550 1.00 44.11 C ATOM 1353 CG1 ILE A 83 -2.259 5.169 -0.085 1.00 62.44 C ATOM 1354 CG2 ILE A 83 -2.518 5.916 -2.527 1.00 30.22 C ATOM 1355 CD1 ILE A 83 -0.964 5.901 0.145 1.00 50.25 C ATOM 0 H ILE A 83 -3.045 2.128 -0.819 1.00 62.21 H new ATOM 0 HA ILE A 83 -4.666 4.580 -1.294 1.00 55.32 H new ATOM 0 HB ILE A 83 -1.705 4.050 -1.866 1.00 44.11 H new ATOM 0 HG12 ILE A 83 -3.081 5.815 0.223 1.00 62.44 H new ATOM 0 HG13 ILE A 83 -2.282 4.293 0.563 1.00 62.44 H new ATOM 0 HG21 ILE A 83 -1.567 6.444 -2.455 1.00 30.22 H new ATOM 0 HG22 ILE A 83 -2.659 5.559 -3.547 1.00 30.22 H new ATOM 0 HG23 ILE A 83 -3.330 6.594 -2.265 1.00 30.22 H new ATOM 0 HD11 ILE A 83 -0.884 6.178 1.196 1.00 50.25 H new ATOM 0 HD12 ILE A 83 -0.128 5.255 -0.125 1.00 50.25 H new ATOM 0 HD13 ILE A 83 -0.940 6.801 -0.470 1.00 50.25 H new ATOM 1367 N ILE A 84 -5.383 3.706 -3.509 1.00 62.54 N ATOM 1368 CA ILE A 84 -5.811 3.352 -4.864 1.00 1.12 C ATOM 1369 C ILE A 84 -5.439 4.501 -5.818 1.00 53.33 C ATOM 1370 O ILE A 84 -5.801 5.659 -5.565 1.00 25.14 O ATOM 1371 CB ILE A 84 -7.363 3.077 -4.918 1.00 70.41 C ATOM 1372 CG1 ILE A 84 -7.787 2.124 -3.756 1.00 1.42 C ATOM 1373 CG2 ILE A 84 -7.774 2.478 -6.291 1.00 61.31 C ATOM 1374 CD1 ILE A 84 -9.277 1.968 -3.581 1.00 3.04 C ATOM 0 H ILE A 84 -6.102 4.176 -2.959 1.00 62.54 H new ATOM 0 HA ILE A 84 -5.305 2.436 -5.169 1.00 1.12 H new ATOM 0 HB ILE A 84 -7.882 4.028 -4.796 1.00 70.41 H new ATOM 0 HG12 ILE A 84 -7.351 1.141 -3.933 1.00 1.42 H new ATOM 0 HG13 ILE A 84 -7.363 2.498 -2.824 1.00 1.42 H new ATOM 0 HG21 ILE A 84 -8.849 2.298 -6.302 1.00 61.31 H new ATOM 0 HG22 ILE A 84 -7.515 3.178 -7.085 1.00 61.31 H new ATOM 0 HG23 ILE A 84 -7.247 1.537 -6.450 1.00 61.31 H new ATOM 0 HD11 ILE A 84 -9.477 1.289 -2.752 1.00 3.04 H new ATOM 0 HD12 ILE A 84 -9.722 2.940 -3.369 1.00 3.04 H new ATOM 0 HD13 ILE A 84 -9.710 1.562 -4.495 1.00 3.04 H new ATOM 1386 N VAL A 85 -4.686 4.187 -6.883 1.00 1.15 N ATOM 1387 CA VAL A 85 -4.311 5.145 -7.930 1.00 71.02 C ATOM 1388 C VAL A 85 -5.028 4.745 -9.226 1.00 24.41 C ATOM 1389 O VAL A 85 -4.685 3.728 -9.841 1.00 54.43 O ATOM 1390 CB VAL A 85 -2.752 5.187 -8.175 1.00 64.31 C ATOM 1391 CG1 VAL A 85 -2.363 6.405 -9.049 1.00 71.54 C ATOM 1392 CG2 VAL A 85 -1.977 5.174 -6.843 1.00 52.51 C ATOM 0 H VAL A 85 -4.317 3.249 -7.042 1.00 1.15 H new ATOM 0 HA VAL A 85 -4.609 6.143 -7.607 1.00 71.02 H new ATOM 0 HB VAL A 85 -2.472 4.286 -8.721 1.00 64.31 H new ATOM 0 HG11 VAL A 85 -1.284 6.412 -9.204 1.00 71.54 H new ATOM 0 HG12 VAL A 85 -2.867 6.337 -10.013 1.00 71.54 H new ATOM 0 HG13 VAL A 85 -2.663 7.324 -8.546 1.00 71.54 H new ATOM 0 HG21 VAL A 85 -0.906 5.204 -7.045 1.00 52.51 H new ATOM 0 HG22 VAL A 85 -2.259 6.044 -6.250 1.00 52.51 H new ATOM 0 HG23 VAL A 85 -2.217 4.265 -6.291 1.00 52.51 H new ATOM 1402 N SER A 86 -6.046 5.519 -9.606 1.00 23.23 N ATOM 1403 CA SER A 86 -6.843 5.298 -10.817 1.00 42.45 C ATOM 1404 C SER A 86 -7.424 6.641 -11.273 1.00 1.12 C ATOM 1405 O SER A 86 -7.941 7.401 -10.447 1.00 21.21 O ATOM 1406 CB SER A 86 -7.986 4.283 -10.534 1.00 30.55 C ATOM 1407 OG SER A 86 -8.840 4.108 -11.658 1.00 52.14 O ATOM 0 H SER A 86 -6.347 6.334 -9.071 1.00 23.23 H new ATOM 0 HA SER A 86 -6.211 4.884 -11.603 1.00 42.45 H new ATOM 0 HB2 SER A 86 -7.555 3.322 -10.254 1.00 30.55 H new ATOM 0 HB3 SER A 86 -8.574 4.628 -9.684 1.00 30.55 H new ATOM 0 HG SER A 86 -9.543 3.462 -11.437 1.00 52.14 H new ATOM 1413 N GLN A 87 -7.317 6.925 -12.580 1.00 35.42 N ATOM 1414 CA GLN A 87 -7.965 8.099 -13.201 1.00 74.43 C ATOM 1415 C GLN A 87 -9.499 8.016 -13.020 1.00 23.14 C ATOM 1416 O GLN A 87 -10.179 9.029 -12.843 1.00 75.33 O ATOM 1417 CB GLN A 87 -7.597 8.190 -14.709 1.00 24.52 C ATOM 1418 CG GLN A 87 -8.026 6.963 -15.546 1.00 13.44 C ATOM 1419 CD GLN A 87 -7.854 7.141 -17.062 1.00 3.42 C ATOM 1420 OE1 GLN A 87 -6.958 7.844 -17.525 1.00 52.11 O ATOM 1421 NE2 GLN A 87 -8.721 6.514 -17.849 1.00 20.44 N ATOM 0 H GLN A 87 -6.784 6.354 -13.236 1.00 35.42 H new ATOM 0 HA GLN A 87 -7.603 9.001 -12.707 1.00 74.43 H new ATOM 0 HB2 GLN A 87 -8.060 9.082 -15.130 1.00 24.52 H new ATOM 0 HB3 GLN A 87 -6.518 8.318 -14.800 1.00 24.52 H new ATOM 0 HG2 GLN A 87 -7.445 6.098 -15.225 1.00 13.44 H new ATOM 0 HG3 GLN A 87 -9.072 6.741 -15.334 1.00 13.44 H new ATOM 0 HE21 GLN A 87 -9.456 5.936 -17.440 1.00 20.44 H new ATOM 0 HE22 GLN A 87 -8.652 6.610 -18.862 1.00 20.44 H new ATOM 1430 N ASP A 88 -10.000 6.774 -13.032 1.00 52.33 N ATOM 1431 CA ASP A 88 -11.417 6.452 -12.887 1.00 74.33 C ATOM 1432 C ASP A 88 -11.820 6.585 -11.406 1.00 51.44 C ATOM 1433 O ASP A 88 -11.456 5.735 -10.576 1.00 32.51 O ATOM 1434 CB ASP A 88 -11.666 5.011 -13.406 1.00 71.00 C ATOM 1435 CG ASP A 88 -13.153 4.650 -13.495 1.00 44.35 C ATOM 1436 OD1 ASP A 88 -13.802 5.015 -14.503 1.00 32.20 O ATOM 1437 OD2 ASP A 88 -13.682 4.003 -12.573 1.00 73.42 O ATOM 0 H ASP A 88 -9.413 5.948 -13.146 1.00 52.33 H new ATOM 0 HA ASP A 88 -12.025 7.142 -13.472 1.00 74.33 H new ATOM 0 HB2 ASP A 88 -11.213 4.903 -14.392 1.00 71.00 H new ATOM 0 HB3 ASP A 88 -11.166 4.302 -12.746 1.00 71.00 H new ATOM 1442 N GLU A 89 -12.555 7.670 -11.098 1.00 22.44 N ATOM 1443 CA GLU A 89 -12.952 8.039 -9.723 1.00 63.02 C ATOM 1444 C GLU A 89 -14.017 7.057 -9.165 1.00 2.42 C ATOM 1445 O GLU A 89 -14.165 6.913 -7.952 1.00 52.11 O ATOM 1446 CB GLU A 89 -13.450 9.525 -9.702 1.00 53.52 C ATOM 1447 CG GLU A 89 -13.125 10.320 -8.411 1.00 75.21 C ATOM 1448 CD GLU A 89 -13.894 9.864 -7.157 1.00 12.24 C ATOM 1449 OE1 GLU A 89 -15.083 10.224 -7.027 1.00 1.24 O ATOM 1450 OE2 GLU A 89 -13.318 9.149 -6.302 1.00 2.11 O ATOM 0 H GLU A 89 -12.895 8.323 -11.804 1.00 22.44 H new ATOM 0 HA GLU A 89 -12.086 7.961 -9.066 1.00 63.02 H new ATOM 0 HB2 GLU A 89 -13.011 10.049 -10.551 1.00 53.52 H new ATOM 0 HB3 GLU A 89 -14.530 9.530 -9.849 1.00 53.52 H new ATOM 0 HG2 GLU A 89 -12.056 10.241 -8.213 1.00 75.21 H new ATOM 0 HG3 GLU A 89 -13.339 11.374 -8.587 1.00 75.21 H new ATOM 1457 N GLU A 90 -14.743 6.380 -10.066 1.00 10.55 N ATOM 1458 CA GLU A 90 -15.732 5.349 -9.694 1.00 70.12 C ATOM 1459 C GLU A 90 -15.030 4.148 -9.025 1.00 10.02 C ATOM 1460 O GLU A 90 -15.442 3.704 -7.957 1.00 44.25 O ATOM 1461 CB GLU A 90 -16.555 4.919 -10.937 1.00 33.24 C ATOM 1462 CG GLU A 90 -17.464 6.028 -11.499 1.00 61.41 C ATOM 1463 CD GLU A 90 -18.145 5.635 -12.819 1.00 41.34 C ATOM 1464 OE1 GLU A 90 -18.982 4.706 -12.816 1.00 64.31 O ATOM 1465 OE2 GLU A 90 -17.851 6.255 -13.866 1.00 20.03 O ATOM 0 H GLU A 90 -14.664 6.529 -11.072 1.00 10.55 H new ATOM 0 HA GLU A 90 -16.429 5.767 -8.967 1.00 70.12 H new ATOM 0 HB2 GLU A 90 -15.869 4.594 -11.719 1.00 33.24 H new ATOM 0 HB3 GLU A 90 -17.169 4.058 -10.673 1.00 33.24 H new ATOM 0 HG2 GLU A 90 -18.228 6.272 -10.761 1.00 61.41 H new ATOM 0 HG3 GLU A 90 -16.873 6.930 -11.656 1.00 61.41 H new ATOM 1472 N ALA A 91 -13.929 3.685 -9.640 1.00 63.13 N ATOM 1473 CA ALA A 91 -13.104 2.580 -9.108 1.00 3.12 C ATOM 1474 C ALA A 91 -12.422 2.976 -7.788 1.00 31.03 C ATOM 1475 O ALA A 91 -12.235 2.138 -6.895 1.00 54.42 O ATOM 1476 CB ALA A 91 -12.058 2.159 -10.151 1.00 20.25 C ATOM 0 H ALA A 91 -13.583 4.065 -10.521 1.00 63.13 H new ATOM 0 HA ALA A 91 -13.759 1.734 -8.899 1.00 3.12 H new ATOM 0 HB1 ALA A 91 -11.454 1.344 -9.752 1.00 20.25 H new ATOM 0 HB2 ALA A 91 -12.562 1.826 -11.058 1.00 20.25 H new ATOM 0 HB3 ALA A 91 -11.415 3.007 -10.384 1.00 20.25 H new ATOM 1482 N LEU A 92 -12.067 4.275 -7.683 1.00 2.41 N ATOM 1483 CA LEU A 92 -11.476 4.852 -6.469 1.00 41.11 C ATOM 1484 C LEU A 92 -12.453 4.771 -5.288 1.00 34.11 C ATOM 1485 O LEU A 92 -12.114 4.225 -4.248 1.00 14.13 O ATOM 1486 CB LEU A 92 -11.092 6.339 -6.701 1.00 14.23 C ATOM 1487 CG LEU A 92 -9.910 6.632 -7.664 1.00 41.24 C ATOM 1488 CD1 LEU A 92 -9.676 8.149 -7.760 1.00 11.40 C ATOM 1489 CD2 LEU A 92 -8.628 5.914 -7.218 1.00 72.25 C ATOM 0 H LEU A 92 -12.184 4.948 -8.441 1.00 2.41 H new ATOM 0 HA LEU A 92 -10.582 4.274 -6.236 1.00 41.11 H new ATOM 0 HB2 LEU A 92 -11.972 6.858 -7.081 1.00 14.23 H new ATOM 0 HB3 LEU A 92 -10.855 6.780 -5.733 1.00 14.23 H new ATOM 0 HG LEU A 92 -10.172 6.248 -8.650 1.00 41.24 H new ATOM 0 HD11 LEU A 92 -8.845 8.347 -8.437 1.00 11.40 H new ATOM 0 HD12 LEU A 92 -10.576 8.633 -8.139 1.00 11.40 H new ATOM 0 HD13 LEU A 92 -9.440 8.544 -6.772 1.00 11.40 H new ATOM 0 HD21 LEU A 92 -7.822 6.142 -7.915 1.00 72.25 H new ATOM 0 HD22 LEU A 92 -8.350 6.252 -6.220 1.00 72.25 H new ATOM 0 HD23 LEU A 92 -8.800 4.838 -7.202 1.00 72.25 H new ATOM 1501 N ARG A 93 -13.673 5.300 -5.486 1.00 42.21 N ATOM 1502 CA ARG A 93 -14.661 5.484 -4.402 1.00 54.12 C ATOM 1503 C ARG A 93 -15.261 4.149 -3.933 1.00 51.02 C ATOM 1504 O ARG A 93 -15.502 3.956 -2.734 1.00 25.24 O ATOM 1505 CB ARG A 93 -15.780 6.461 -4.851 1.00 1.13 C ATOM 1506 CG ARG A 93 -16.814 6.801 -3.750 1.00 21.42 C ATOM 1507 CD ARG A 93 -16.181 7.499 -2.529 1.00 14.44 C ATOM 1508 NE ARG A 93 -17.128 7.620 -1.405 1.00 41.22 N ATOM 1509 CZ ARG A 93 -17.008 8.484 -0.383 1.00 21.54 C ATOM 1510 NH1 ARG A 93 -15.976 9.325 -0.323 1.00 50.31 N ATOM 1511 NH2 ARG A 93 -17.925 8.490 0.578 1.00 62.23 N ATOM 0 H ARG A 93 -14.004 5.612 -6.399 1.00 42.21 H new ATOM 0 HA ARG A 93 -14.135 5.915 -3.550 1.00 54.12 H new ATOM 0 HB2 ARG A 93 -15.320 7.386 -5.198 1.00 1.13 H new ATOM 0 HB3 ARG A 93 -16.304 6.027 -5.703 1.00 1.13 H new ATOM 0 HG2 ARG A 93 -17.587 7.445 -4.170 1.00 21.42 H new ATOM 0 HG3 ARG A 93 -17.305 5.884 -3.424 1.00 21.42 H new ATOM 0 HD2 ARG A 93 -15.305 6.937 -2.205 1.00 14.44 H new ATOM 0 HD3 ARG A 93 -15.835 8.491 -2.819 1.00 14.44 H new ATOM 0 HE ARG A 93 -17.937 6.999 -1.403 1.00 41.22 H new ATOM 0 HH11 ARG A 93 -15.268 9.317 -1.057 1.00 50.31 H new ATOM 0 HH12 ARG A 93 -15.894 9.977 0.457 1.00 50.31 H new ATOM 0 HH21 ARG A 93 -18.712 7.842 0.536 1.00 62.23 H new ATOM 0 HH22 ARG A 93 -17.842 9.142 1.358 1.00 62.23 H new ATOM 1525 N LYS A 94 -15.487 3.235 -4.879 1.00 13.34 N ATOM 1526 CA LYS A 94 -16.033 1.906 -4.576 1.00 32.41 C ATOM 1527 C LYS A 94 -14.990 1.068 -3.829 1.00 44.02 C ATOM 1528 O LYS A 94 -15.329 0.318 -2.913 1.00 2.11 O ATOM 1529 CB LYS A 94 -16.493 1.215 -5.875 1.00 72.45 C ATOM 1530 CG LYS A 94 -17.648 1.947 -6.576 1.00 45.15 C ATOM 1531 CD LYS A 94 -18.046 1.311 -7.919 1.00 33.25 C ATOM 1532 CE LYS A 94 -19.170 2.100 -8.603 1.00 71.51 C ATOM 1533 NZ LYS A 94 -20.391 2.195 -7.750 1.00 34.42 N ATOM 0 H LYS A 94 -15.299 3.391 -5.869 1.00 13.34 H new ATOM 0 HA LYS A 94 -16.903 2.010 -3.928 1.00 32.41 H new ATOM 0 HB2 LYS A 94 -15.648 1.144 -6.560 1.00 72.45 H new ATOM 0 HB3 LYS A 94 -16.804 0.196 -5.646 1.00 72.45 H new ATOM 0 HG2 LYS A 94 -18.515 1.958 -5.916 1.00 45.15 H new ATOM 0 HG3 LYS A 94 -17.362 2.985 -6.744 1.00 45.15 H new ATOM 0 HD2 LYS A 94 -17.177 1.270 -8.575 1.00 33.25 H new ATOM 0 HD3 LYS A 94 -18.369 0.283 -7.754 1.00 33.25 H new ATOM 0 HE2 LYS A 94 -18.815 3.103 -8.840 1.00 71.51 H new ATOM 0 HE3 LYS A 94 -19.425 1.621 -9.548 1.00 71.51 H new ATOM 0 HZ1 LYS A 94 -21.181 2.568 -8.315 1.00 34.42 H new ATOM 0 HZ2 LYS A 94 -20.638 1.251 -7.391 1.00 34.42 H new ATOM 0 HZ3 LYS A 94 -20.206 2.832 -6.949 1.00 34.42 H new ATOM 1547 N GLY A 95 -13.717 1.236 -4.229 1.00 10.02 N ATOM 1548 CA GLY A 95 -12.594 0.643 -3.508 1.00 22.11 C ATOM 1549 C GLY A 95 -12.368 1.297 -2.155 1.00 13.14 C ATOM 1550 O GLY A 95 -11.999 0.625 -1.190 1.00 24.45 O ATOM 0 H GLY A 95 -13.448 1.779 -5.049 1.00 10.02 H new ATOM 0 HA2 GLY A 95 -12.777 -0.422 -3.368 1.00 22.11 H new ATOM 0 HA3 GLY A 95 -11.690 0.735 -4.109 1.00 22.11 H new ATOM 1554 N TYR A 96 -12.615 2.616 -2.095 1.00 53.11 N ATOM 1555 CA TYR A 96 -12.423 3.425 -0.885 1.00 74.21 C ATOM 1556 C TYR A 96 -13.261 2.848 0.253 1.00 21.11 C ATOM 1557 O TYR A 96 -12.729 2.451 1.277 1.00 72.33 O ATOM 1558 CB TYR A 96 -12.794 4.914 -1.153 1.00 34.53 C ATOM 1559 CG TYR A 96 -12.717 5.854 0.060 1.00 3.32 C ATOM 1560 CD1 TYR A 96 -11.508 6.099 0.709 1.00 42.31 C ATOM 1561 CD2 TYR A 96 -13.855 6.501 0.558 1.00 52.21 C ATOM 1562 CE1 TYR A 96 -11.440 6.940 1.803 1.00 70.10 C ATOM 1563 CE2 TYR A 96 -13.787 7.346 1.657 1.00 13.13 C ATOM 1564 CZ TYR A 96 -12.578 7.563 2.272 1.00 31.12 C ATOM 1565 OH TYR A 96 -12.508 8.394 3.377 1.00 71.52 O ATOM 0 H TYR A 96 -12.956 3.153 -2.892 1.00 53.11 H new ATOM 0 HA TYR A 96 -11.372 3.394 -0.598 1.00 74.21 H new ATOM 0 HB2 TYR A 96 -12.132 5.299 -1.929 1.00 34.53 H new ATOM 0 HB3 TYR A 96 -13.808 4.949 -1.552 1.00 34.53 H new ATOM 0 HD1 TYR A 96 -10.608 5.623 0.350 1.00 42.31 H new ATOM 0 HD2 TYR A 96 -14.808 6.339 0.076 1.00 52.21 H new ATOM 0 HE1 TYR A 96 -10.493 7.110 2.293 1.00 70.10 H new ATOM 0 HE2 TYR A 96 -14.679 7.830 2.026 1.00 13.13 H new ATOM 0 HH TYR A 96 -13.399 8.752 3.574 1.00 71.52 H new ATOM 1575 N GLU A 97 -14.559 2.724 -0.014 1.00 11.31 N ATOM 1576 CA GLU A 97 -15.540 2.235 0.957 1.00 42.23 C ATOM 1577 C GLU A 97 -15.376 0.724 1.246 1.00 35.02 C ATOM 1578 O GLU A 97 -15.666 0.271 2.358 1.00 33.34 O ATOM 1579 CB GLU A 97 -16.959 2.550 0.429 1.00 24.24 C ATOM 1580 CG GLU A 97 -17.235 4.051 0.184 1.00 41.11 C ATOM 1581 CD GLU A 97 -17.349 4.883 1.480 1.00 4.45 C ATOM 1582 OE1 GLU A 97 -16.320 5.155 2.131 1.00 64.22 O ATOM 1583 OE2 GLU A 97 -18.480 5.266 1.857 1.00 41.23 O ATOM 0 H GLU A 97 -14.965 2.962 -0.919 1.00 11.31 H new ATOM 0 HA GLU A 97 -15.376 2.745 1.906 1.00 42.23 H new ATOM 0 HB2 GLU A 97 -17.114 2.008 -0.504 1.00 24.24 H new ATOM 0 HB3 GLU A 97 -17.691 2.171 1.143 1.00 24.24 H new ATOM 0 HG2 GLU A 97 -16.435 4.462 -0.432 1.00 41.11 H new ATOM 0 HG3 GLU A 97 -18.159 4.153 -0.385 1.00 41.11 H new ATOM 1590 N ASP A 98 -14.908 -0.032 0.230 1.00 71.43 N ATOM 1591 CA ASP A 98 -14.771 -1.505 0.295 1.00 12.22 C ATOM 1592 C ASP A 98 -13.711 -1.952 1.321 1.00 15.14 C ATOM 1593 O ASP A 98 -13.992 -2.781 2.188 1.00 11.44 O ATOM 1594 CB ASP A 98 -14.415 -2.068 -1.110 1.00 31.21 C ATOM 1595 CG ASP A 98 -14.229 -3.594 -1.121 1.00 43.21 C ATOM 1596 OD1 ASP A 98 -15.246 -4.329 -1.139 1.00 73.12 O ATOM 1597 OD2 ASP A 98 -13.063 -4.076 -1.112 1.00 1.11 O ATOM 0 H ASP A 98 -14.613 0.363 -0.663 1.00 71.43 H new ATOM 0 HA ASP A 98 -15.731 -1.904 0.623 1.00 12.22 H new ATOM 0 HB2 ASP A 98 -15.204 -1.799 -1.813 1.00 31.21 H new ATOM 0 HB3 ASP A 98 -13.499 -1.594 -1.463 1.00 31.21 H new ATOM 1602 N LYS A 99 -12.487 -1.414 1.215 1.00 73.44 N ATOM 1603 CA LYS A 99 -11.396 -1.784 2.137 1.00 43.31 C ATOM 1604 C LYS A 99 -11.580 -1.064 3.499 1.00 62.12 C ATOM 1605 O LYS A 99 -11.228 -1.609 4.548 1.00 72.21 O ATOM 1606 CB LYS A 99 -9.984 -1.497 1.534 1.00 30.45 C ATOM 1607 CG LYS A 99 -9.586 -2.339 0.280 1.00 64.33 C ATOM 1608 CD LYS A 99 -10.186 -1.794 -1.030 1.00 53.25 C ATOM 1609 CE LYS A 99 -9.751 -2.569 -2.280 1.00 55.00 C ATOM 1610 NZ LYS A 99 -10.310 -3.947 -2.335 1.00 70.22 N ATOM 0 H LYS A 99 -12.226 -0.727 0.508 1.00 73.44 H new ATOM 0 HA LYS A 99 -11.451 -2.861 2.296 1.00 43.31 H new ATOM 0 HB2 LYS A 99 -9.933 -0.441 1.268 1.00 30.45 H new ATOM 0 HB3 LYS A 99 -9.239 -1.666 2.311 1.00 30.45 H new ATOM 0 HG2 LYS A 99 -8.500 -2.360 0.194 1.00 64.33 H new ATOM 0 HG3 LYS A 99 -9.914 -3.369 0.422 1.00 64.33 H new ATOM 0 HD2 LYS A 99 -11.273 -1.819 -0.959 1.00 53.25 H new ATOM 0 HD3 LYS A 99 -9.898 -0.749 -1.143 1.00 53.25 H new ATOM 0 HE2 LYS A 99 -10.064 -2.020 -3.168 1.00 55.00 H new ATOM 0 HE3 LYS A 99 -8.663 -2.623 -2.306 1.00 55.00 H new ATOM 0 HZ1 LYS A 99 -10.185 -4.334 -3.292 1.00 70.22 H new ATOM 0 HZ2 LYS A 99 -9.813 -4.551 -1.649 1.00 70.22 H new ATOM 0 HZ3 LYS A 99 -11.323 -3.920 -2.102 1.00 70.22 H new ATOM 1624 N LYS A 100 -12.164 0.149 3.460 1.00 74.35 N ATOM 1625 CA LYS A 100 -12.377 0.994 4.663 1.00 40.05 C ATOM 1626 C LYS A 100 -13.336 0.344 5.674 1.00 1.42 C ATOM 1627 O LYS A 100 -13.106 0.403 6.889 1.00 62.15 O ATOM 1628 CB LYS A 100 -12.886 2.386 4.233 1.00 22.14 C ATOM 1629 CG LYS A 100 -13.085 3.403 5.363 1.00 5.34 C ATOM 1630 CD LYS A 100 -13.539 4.780 4.838 1.00 35.44 C ATOM 1631 CE LYS A 100 -13.914 5.720 5.984 1.00 21.30 C ATOM 1632 NZ LYS A 100 -15.072 5.196 6.764 1.00 51.31 N ATOM 0 H LYS A 100 -12.503 0.575 2.597 1.00 74.35 H new ATOM 0 HA LYS A 100 -11.419 1.100 5.173 1.00 40.05 H new ATOM 0 HB2 LYS A 100 -12.181 2.804 3.514 1.00 22.14 H new ATOM 0 HB3 LYS A 100 -13.835 2.260 3.712 1.00 22.14 H new ATOM 0 HG2 LYS A 100 -13.826 3.022 6.065 1.00 5.34 H new ATOM 0 HG3 LYS A 100 -12.152 3.517 5.915 1.00 5.34 H new ATOM 0 HD2 LYS A 100 -12.740 5.227 4.246 1.00 35.44 H new ATOM 0 HD3 LYS A 100 -14.395 4.654 4.175 1.00 35.44 H new ATOM 0 HE2 LYS A 100 -13.057 5.849 6.645 1.00 21.30 H new ATOM 0 HE3 LYS A 100 -14.159 6.704 5.584 1.00 21.30 H new ATOM 0 HZ1 LYS A 100 -15.493 5.967 7.321 1.00 51.31 H new ATOM 0 HZ2 LYS A 100 -15.785 4.812 6.111 1.00 51.31 H new ATOM 0 HZ3 LYS A 100 -14.747 4.444 7.404 1.00 51.31 H new ATOM 1646 N LYS A 101 -14.389 -0.311 5.156 1.00 35.32 N ATOM 1647 CA LYS A 101 -15.393 -1.005 5.993 1.00 31.34 C ATOM 1648 C LYS A 101 -14.815 -2.305 6.613 1.00 12.33 C ATOM 1649 O LYS A 101 -15.439 -2.909 7.486 1.00 65.32 O ATOM 1650 CB LYS A 101 -16.674 -1.304 5.171 1.00 40.41 C ATOM 1651 CG LYS A 101 -16.492 -2.350 4.050 1.00 51.24 C ATOM 1652 CD LYS A 101 -17.799 -2.669 3.290 1.00 74.35 C ATOM 1653 CE LYS A 101 -18.917 -3.191 4.207 1.00 13.02 C ATOM 1654 NZ LYS A 101 -20.158 -3.525 3.448 1.00 34.13 N ATOM 0 H LYS A 101 -14.571 -0.377 4.154 1.00 35.32 H new ATOM 0 HA LYS A 101 -15.659 -0.341 6.816 1.00 31.34 H new ATOM 0 HB2 LYS A 101 -17.452 -1.651 5.850 1.00 40.41 H new ATOM 0 HB3 LYS A 101 -17.030 -0.374 4.727 1.00 40.41 H new ATOM 0 HG2 LYS A 101 -15.748 -1.986 3.341 1.00 51.24 H new ATOM 0 HG3 LYS A 101 -16.098 -3.270 4.482 1.00 51.24 H new ATOM 0 HD2 LYS A 101 -18.145 -1.770 2.781 1.00 74.35 H new ATOM 0 HD3 LYS A 101 -17.592 -3.412 2.520 1.00 74.35 H new ATOM 0 HE2 LYS A 101 -18.567 -4.077 4.736 1.00 13.02 H new ATOM 0 HE3 LYS A 101 -19.146 -2.439 4.962 1.00 13.02 H new ATOM 0 HZ1 LYS A 101 -20.884 -3.873 4.106 1.00 34.13 H new ATOM 0 HZ2 LYS A 101 -20.508 -2.674 2.964 1.00 34.13 H new ATOM 0 HZ3 LYS A 101 -19.947 -4.261 2.745 1.00 34.13 H new ATOM 1668 N LYS A 102 -13.633 -2.738 6.115 1.00 21.41 N ATOM 1669 CA LYS A 102 -12.858 -3.869 6.678 1.00 23.14 C ATOM 1670 C LYS A 102 -11.761 -3.372 7.660 1.00 31.14 C ATOM 1671 O LYS A 102 -10.893 -4.157 8.083 1.00 70.33 O ATOM 1672 CB LYS A 102 -12.229 -4.711 5.527 1.00 43.14 C ATOM 1673 CG LYS A 102 -13.239 -5.528 4.681 1.00 3.44 C ATOM 1674 CD LYS A 102 -12.536 -6.453 3.649 1.00 73.31 C ATOM 1675 CE LYS A 102 -11.956 -5.700 2.440 1.00 0.43 C ATOM 1676 NZ LYS A 102 -13.022 -5.248 1.509 1.00 10.02 N ATOM 0 H LYS A 102 -13.187 -2.309 5.304 1.00 21.41 H new ATOM 0 HA LYS A 102 -13.541 -4.501 7.245 1.00 23.14 H new ATOM 0 HB2 LYS A 102 -11.683 -4.040 4.864 1.00 43.14 H new ATOM 0 HB3 LYS A 102 -11.500 -5.398 5.957 1.00 43.14 H new ATOM 0 HG2 LYS A 102 -13.859 -6.132 5.344 1.00 3.44 H new ATOM 0 HG3 LYS A 102 -13.906 -4.844 4.156 1.00 3.44 H new ATOM 0 HD2 LYS A 102 -11.733 -6.995 4.148 1.00 73.31 H new ATOM 0 HD3 LYS A 102 -13.250 -7.196 3.295 1.00 73.31 H new ATOM 0 HE2 LYS A 102 -11.387 -4.838 2.788 1.00 0.43 H new ATOM 0 HE3 LYS A 102 -11.259 -6.348 1.908 1.00 0.43 H new ATOM 0 HZ1 LYS A 102 -12.590 -4.897 0.630 1.00 10.02 H new ATOM 0 HZ2 LYS A 102 -13.653 -6.045 1.290 1.00 10.02 H new ATOM 0 HZ3 LYS A 102 -13.570 -4.484 1.954 1.00 10.02 H new ATOM 1690 N GLY A 103 -11.815 -2.070 8.020 1.00 70.21 N ATOM 1691 CA GLY A 103 -10.911 -1.479 9.017 1.00 25.01 C ATOM 1692 C GLY A 103 -9.550 -1.073 8.457 1.00 74.33 C ATOM 1693 O GLY A 103 -8.557 -1.033 9.194 1.00 11.23 O ATOM 0 H GLY A 103 -12.484 -1.408 7.627 1.00 70.21 H new ATOM 0 HA2 GLY A 103 -11.390 -0.602 9.452 1.00 25.01 H new ATOM 0 HA3 GLY A 103 -10.761 -2.194 9.826 1.00 25.01 H new ATOM 1697 N TYR A 104 -9.488 -0.778 7.149 1.00 13.20 N ATOM 1698 CA TYR A 104 -8.242 -0.325 6.496 1.00 14.34 C ATOM 1699 C TYR A 104 -8.399 1.171 6.148 1.00 34.20 C ATOM 1700 O TYR A 104 -9.400 1.550 5.547 1.00 14.13 O ATOM 1701 CB TYR A 104 -7.959 -1.168 5.211 1.00 64.21 C ATOM 1702 CG TYR A 104 -8.093 -2.705 5.365 1.00 24.44 C ATOM 1703 CD1 TYR A 104 -7.655 -3.383 6.509 1.00 0.40 C ATOM 1704 CD2 TYR A 104 -8.680 -3.476 4.353 1.00 64.33 C ATOM 1705 CE1 TYR A 104 -7.793 -4.756 6.628 1.00 63.21 C ATOM 1706 CE2 TYR A 104 -8.819 -4.845 4.471 1.00 21.43 C ATOM 1707 CZ TYR A 104 -8.380 -5.481 5.609 1.00 64.43 C ATOM 1708 OH TYR A 104 -8.519 -6.850 5.732 1.00 21.14 O ATOM 0 H TYR A 104 -10.287 -0.844 6.518 1.00 13.20 H new ATOM 0 HA TYR A 104 -7.395 -0.461 7.168 1.00 14.34 H new ATOM 0 HB2 TYR A 104 -8.642 -0.840 4.427 1.00 64.21 H new ATOM 0 HB3 TYR A 104 -6.949 -0.944 4.868 1.00 64.21 H new ATOM 0 HD1 TYR A 104 -7.201 -2.825 7.314 1.00 0.40 H new ATOM 0 HD2 TYR A 104 -9.033 -2.987 3.457 1.00 64.33 H new ATOM 0 HE1 TYR A 104 -7.442 -5.259 7.517 1.00 63.21 H new ATOM 0 HE2 TYR A 104 -9.271 -5.414 3.672 1.00 21.43 H new ATOM 0 HH TYR A 104 -8.952 -7.208 4.929 1.00 21.14 H new ATOM 1718 N ASP A 105 -7.435 2.019 6.546 1.00 25.33 N ATOM 1719 CA ASP A 105 -7.489 3.475 6.275 1.00 22.12 C ATOM 1720 C ASP A 105 -7.119 3.749 4.802 1.00 14.01 C ATOM 1721 O ASP A 105 -5.943 3.708 4.435 1.00 65.41 O ATOM 1722 CB ASP A 105 -6.537 4.240 7.233 1.00 30.32 C ATOM 1723 CG ASP A 105 -6.675 5.770 7.148 1.00 62.11 C ATOM 1724 OD1 ASP A 105 -7.783 6.290 7.428 1.00 32.43 O ATOM 1725 OD2 ASP A 105 -5.692 6.463 6.816 1.00 44.42 O ATOM 0 H ASP A 105 -6.604 1.724 7.059 1.00 25.33 H new ATOM 0 HA ASP A 105 -8.504 3.831 6.451 1.00 22.12 H new ATOM 0 HB2 ASP A 105 -6.734 3.922 8.257 1.00 30.32 H new ATOM 0 HB3 ASP A 105 -5.507 3.963 7.006 1.00 30.32 H new ATOM 1730 N VAL A 106 -8.126 4.033 3.962 1.00 42.03 N ATOM 1731 CA VAL A 106 -7.947 4.108 2.498 1.00 3.10 C ATOM 1732 C VAL A 106 -7.805 5.571 2.035 1.00 33.43 C ATOM 1733 O VAL A 106 -8.470 6.461 2.552 1.00 61.51 O ATOM 1734 CB VAL A 106 -9.151 3.419 1.739 1.00 14.45 C ATOM 1735 CG1 VAL A 106 -8.907 3.356 0.211 1.00 40.34 C ATOM 1736 CG2 VAL A 106 -9.401 2.007 2.299 1.00 42.04 C ATOM 0 H VAL A 106 -9.080 4.216 4.271 1.00 42.03 H new ATOM 0 HA VAL A 106 -7.030 3.571 2.253 1.00 3.10 H new ATOM 0 HB VAL A 106 -10.037 4.031 1.906 1.00 14.45 H new ATOM 0 HG11 VAL A 106 -9.757 2.876 -0.274 1.00 40.34 H new ATOM 0 HG12 VAL A 106 -8.789 4.366 -0.181 1.00 40.34 H new ATOM 0 HG13 VAL A 106 -8.003 2.781 0.010 1.00 40.34 H new ATOM 0 HG21 VAL A 106 -10.233 1.546 1.766 1.00 42.04 H new ATOM 0 HG22 VAL A 106 -8.505 1.400 2.168 1.00 42.04 H new ATOM 0 HG23 VAL A 106 -9.642 2.074 3.360 1.00 42.04 H new ATOM 1746 N TYR A 107 -6.879 5.791 1.091 1.00 5.44 N ATOM 1747 CA TYR A 107 -6.728 7.048 0.342 1.00 1.32 C ATOM 1748 C TYR A 107 -6.933 6.742 -1.146 1.00 52.23 C ATOM 1749 O TYR A 107 -6.695 5.610 -1.589 1.00 14.03 O ATOM 1750 CB TYR A 107 -5.315 7.647 0.563 1.00 72.20 C ATOM 1751 CG TYR A 107 -5.040 8.023 2.024 1.00 54.44 C ATOM 1752 CD1 TYR A 107 -5.591 9.178 2.578 1.00 15.02 C ATOM 1753 CD2 TYR A 107 -4.252 7.216 2.848 1.00 2.21 C ATOM 1754 CE1 TYR A 107 -5.371 9.514 3.891 1.00 31.10 C ATOM 1755 CE2 TYR A 107 -4.026 7.554 4.167 1.00 54.15 C ATOM 1756 CZ TYR A 107 -4.591 8.703 4.682 1.00 10.02 C ATOM 1757 OH TYR A 107 -4.380 9.036 6.000 1.00 45.34 O ATOM 0 H TYR A 107 -6.197 5.083 0.820 1.00 5.44 H new ATOM 0 HA TYR A 107 -7.462 7.775 0.689 1.00 1.32 H new ATOM 0 HB2 TYR A 107 -4.566 6.927 0.233 1.00 72.20 H new ATOM 0 HB3 TYR A 107 -5.202 8.533 -0.061 1.00 72.20 H new ATOM 0 HD1 TYR A 107 -6.203 9.821 1.962 1.00 15.02 H new ATOM 0 HD2 TYR A 107 -3.813 6.314 2.447 1.00 2.21 H new ATOM 0 HE1 TYR A 107 -5.809 10.412 4.301 1.00 31.10 H new ATOM 0 HE2 TYR A 107 -3.411 6.923 4.792 1.00 54.15 H new ATOM 0 HH TYR A 107 -4.733 8.327 6.577 1.00 45.34 H new ATOM 1767 N THR A 108 -7.371 7.743 -1.918 1.00 35.52 N ATOM 1768 CA THR A 108 -7.629 7.594 -3.363 1.00 54.30 C ATOM 1769 C THR A 108 -7.004 8.772 -4.135 1.00 60.33 C ATOM 1770 O THR A 108 -6.904 9.892 -3.608 1.00 23.43 O ATOM 1771 CB THR A 108 -9.168 7.487 -3.648 1.00 70.04 C ATOM 1772 OG1 THR A 108 -9.863 8.621 -3.117 1.00 63.24 O ATOM 1773 CG2 THR A 108 -9.778 6.201 -3.055 1.00 1.30 C ATOM 0 H THR A 108 -7.558 8.681 -1.563 1.00 35.52 H new ATOM 0 HA THR A 108 -7.165 6.670 -3.707 1.00 54.30 H new ATOM 0 HB THR A 108 -9.284 7.457 -4.731 1.00 70.04 H new ATOM 0 HG1 THR A 108 -10.821 8.536 -3.307 1.00 63.24 H new ATOM 0 HG21 THR A 108 -10.845 6.169 -3.276 1.00 1.30 H new ATOM 0 HG22 THR A 108 -9.290 5.331 -3.494 1.00 1.30 H new ATOM 0 HG23 THR A 108 -9.631 6.193 -1.975 1.00 1.30 H new ATOM 1781 N SER A 109 -6.583 8.509 -5.388 1.00 41.53 N ATOM 1782 CA SER A 109 -5.853 9.484 -6.213 1.00 73.44 C ATOM 1783 C SER A 109 -6.112 9.252 -7.699 1.00 1.22 C ATOM 1784 O SER A 109 -6.263 8.104 -8.132 1.00 12.31 O ATOM 1785 CB SER A 109 -4.345 9.381 -5.912 1.00 63.31 C ATOM 1786 OG SER A 109 -3.889 8.042 -5.995 1.00 44.14 O ATOM 0 H SER A 109 -6.741 7.615 -5.853 1.00 41.53 H new ATOM 0 HA SER A 109 -6.208 10.485 -5.966 1.00 73.44 H new ATOM 0 HB2 SER A 109 -3.789 10.000 -6.616 1.00 63.31 H new ATOM 0 HB3 SER A 109 -4.144 9.774 -4.915 1.00 63.31 H new ATOM 0 HG SER A 109 -3.517 7.769 -5.130 1.00 44.14 H new ATOM 1792 N ARG A 110 -6.166 10.344 -8.461 1.00 61.20 N ATOM 1793 CA ARG A 110 -6.329 10.300 -9.925 1.00 24.12 C ATOM 1794 C ARG A 110 -4.961 10.287 -10.623 1.00 65.34 C ATOM 1795 O ARG A 110 -4.857 9.800 -11.758 1.00 2.40 O ATOM 1796 CB ARG A 110 -7.193 11.496 -10.445 1.00 72.31 C ATOM 1797 CG ARG A 110 -8.730 11.330 -10.301 1.00 3.05 C ATOM 1798 CD ARG A 110 -9.241 11.393 -8.856 1.00 42.14 C ATOM 1799 NE ARG A 110 -9.143 12.740 -8.271 1.00 30.54 N ATOM 1800 CZ ARG A 110 -9.028 13.013 -6.957 1.00 74.44 C ATOM 1801 NH1 ARG A 110 -8.989 12.036 -6.045 1.00 2.31 N ATOM 1802 NH2 ARG A 110 -8.945 14.275 -6.561 1.00 22.42 N ATOM 0 H ARG A 110 -6.098 11.290 -8.085 1.00 61.20 H new ATOM 0 HA ARG A 110 -6.856 9.377 -10.167 1.00 24.12 H new ATOM 0 HB2 ARG A 110 -6.892 12.397 -9.910 1.00 72.31 H new ATOM 0 HB3 ARG A 110 -6.961 11.657 -11.498 1.00 72.31 H new ATOM 0 HG2 ARG A 110 -9.223 12.109 -10.882 1.00 3.05 H new ATOM 0 HG3 ARG A 110 -9.022 10.374 -10.736 1.00 3.05 H new ATOM 0 HD2 ARG A 110 -10.280 11.066 -8.829 1.00 42.14 H new ATOM 0 HD3 ARG A 110 -8.671 10.694 -8.244 1.00 42.14 H new ATOM 0 HE ARG A 110 -9.164 13.532 -8.913 1.00 30.54 H new ATOM 0 HH11 ARG A 110 -9.047 11.061 -6.339 1.00 2.31 H new ATOM 0 HH12 ARG A 110 -8.901 12.266 -5.055 1.00 2.31 H new ATOM 0 HH21 ARG A 110 -8.969 15.028 -7.249 1.00 22.42 H new ATOM 0 HH22 ARG A 110 -8.858 14.493 -5.568 1.00 22.42 H new ATOM 1816 N ASN A 111 -3.911 10.823 -9.952 1.00 32.21 N ATOM 1817 CA ASN A 111 -2.570 10.963 -10.564 1.00 45.21 C ATOM 1818 C ASN A 111 -1.459 10.518 -9.601 1.00 43.44 C ATOM 1819 O ASN A 111 -1.722 10.196 -8.434 1.00 25.11 O ATOM 1820 CB ASN A 111 -2.341 12.429 -11.041 1.00 12.05 C ATOM 1821 CG ASN A 111 -2.097 13.427 -9.905 1.00 71.12 C ATOM 1822 OD1 ASN A 111 -0.960 13.670 -9.514 1.00 14.24 O ATOM 1823 ND2 ASN A 111 -3.148 14.004 -9.356 1.00 20.42 N ATOM 0 H ASN A 111 -3.968 11.163 -8.992 1.00 32.21 H new ATOM 0 HA ASN A 111 -2.528 10.305 -11.432 1.00 45.21 H new ATOM 0 HB2 ASN A 111 -1.487 12.450 -11.718 1.00 12.05 H new ATOM 0 HB3 ASN A 111 -3.210 12.753 -11.614 1.00 12.05 H new ATOM 0 HD21 ASN A 111 -3.024 14.667 -8.591 1.00 20.42 H new ATOM 0 HD22 ASN A 111 -4.085 13.787 -9.697 1.00 20.42 H new ATOM 1830 N GLU A 112 -0.213 10.538 -10.120 1.00 55.11 N ATOM 1831 CA GLU A 112 0.989 10.078 -9.412 1.00 13.11 C ATOM 1832 C GLU A 112 1.317 10.979 -8.213 1.00 21.14 C ATOM 1833 O GLU A 112 1.538 10.478 -7.119 1.00 24.42 O ATOM 1834 CB GLU A 112 2.194 10.040 -10.389 1.00 31.11 C ATOM 1835 CG GLU A 112 3.504 9.477 -9.800 1.00 42.14 C ATOM 1836 CD GLU A 112 4.710 9.735 -10.717 1.00 25.24 C ATOM 1837 OE1 GLU A 112 4.694 9.268 -11.882 1.00 53.13 O ATOM 1838 OE2 GLU A 112 5.648 10.450 -10.304 1.00 63.04 O ATOM 0 H GLU A 112 -0.016 10.881 -11.060 1.00 55.11 H new ATOM 0 HA GLU A 112 0.792 9.075 -9.033 1.00 13.11 H new ATOM 0 HB2 GLU A 112 1.918 9.441 -11.257 1.00 31.11 H new ATOM 0 HB3 GLU A 112 2.382 11.052 -10.747 1.00 31.11 H new ATOM 0 HG2 GLU A 112 3.687 9.930 -8.826 1.00 42.14 H new ATOM 0 HG3 GLU A 112 3.396 8.405 -9.637 1.00 42.14 H new ATOM 1845 N ASP A 113 1.320 12.308 -8.437 1.00 41.12 N ATOM 1846 CA ASP A 113 1.687 13.304 -7.406 1.00 75.33 C ATOM 1847 C ASP A 113 0.698 13.280 -6.227 1.00 51.44 C ATOM 1848 O ASP A 113 1.094 13.465 -5.073 1.00 24.43 O ATOM 1849 CB ASP A 113 1.760 14.729 -8.014 1.00 3.32 C ATOM 1850 CG ASP A 113 2.906 14.917 -9.026 1.00 34.53 C ATOM 1851 OD1 ASP A 113 4.070 15.066 -8.594 1.00 23.45 O ATOM 1852 OD2 ASP A 113 2.648 14.925 -10.247 1.00 65.11 O ATOM 0 H ASP A 113 1.069 12.722 -9.335 1.00 41.12 H new ATOM 0 HA ASP A 113 2.674 13.035 -7.029 1.00 75.33 H new ATOM 0 HB2 ASP A 113 0.813 14.953 -8.506 1.00 3.32 H new ATOM 0 HB3 ASP A 113 1.878 15.452 -7.207 1.00 3.32 H new ATOM 1857 N GLU A 114 -0.587 13.031 -6.536 1.00 42.44 N ATOM 1858 CA GLU A 114 -1.646 12.944 -5.522 1.00 51.12 C ATOM 1859 C GLU A 114 -1.435 11.708 -4.637 1.00 12.44 C ATOM 1860 O GLU A 114 -1.486 11.795 -3.406 1.00 23.01 O ATOM 1861 CB GLU A 114 -3.024 12.944 -6.215 1.00 63.33 C ATOM 1862 CG GLU A 114 -4.235 13.014 -5.265 1.00 21.23 C ATOM 1863 CD GLU A 114 -5.512 13.501 -5.963 1.00 24.42 C ATOM 1864 OE1 GLU A 114 -5.794 13.038 -7.099 1.00 15.43 O ATOM 1865 OE2 GLU A 114 -6.222 14.367 -5.394 1.00 44.13 O ATOM 0 H GLU A 114 -0.916 12.886 -7.490 1.00 42.44 H new ATOM 0 HA GLU A 114 -1.605 13.813 -4.866 1.00 51.12 H new ATOM 0 HB2 GLU A 114 -3.069 13.792 -6.899 1.00 63.33 H new ATOM 0 HB3 GLU A 114 -3.109 12.041 -6.820 1.00 63.33 H new ATOM 0 HG2 GLU A 114 -4.414 12.027 -4.838 1.00 21.23 H new ATOM 0 HG3 GLU A 114 -4.002 13.682 -4.436 1.00 21.23 H new ATOM 1872 N ALA A 115 -1.125 10.583 -5.301 1.00 63.34 N ATOM 1873 CA ALA A 115 -0.809 9.299 -4.655 1.00 51.43 C ATOM 1874 C ALA A 115 0.488 9.383 -3.831 1.00 14.55 C ATOM 1875 O ALA A 115 0.606 8.763 -2.783 1.00 12.22 O ATOM 1876 CB ALA A 115 -0.660 8.226 -5.732 1.00 53.11 C ATOM 0 H ALA A 115 -1.086 10.539 -6.319 1.00 63.34 H new ATOM 0 HA ALA A 115 -1.622 9.047 -3.973 1.00 51.43 H new ATOM 0 HB1 ALA A 115 -0.426 7.270 -5.263 1.00 53.11 H new ATOM 0 HB2 ALA A 115 -1.593 8.138 -6.289 1.00 53.11 H new ATOM 0 HB3 ALA A 115 0.145 8.503 -6.413 1.00 53.11 H new ATOM 1882 N LYS A 116 1.444 10.175 -4.343 1.00 12.22 N ATOM 1883 CA LYS A 116 2.809 10.323 -3.800 1.00 72.15 C ATOM 1884 C LYS A 116 2.794 11.040 -2.452 1.00 70.54 C ATOM 1885 O LYS A 116 3.497 10.648 -1.514 1.00 51.20 O ATOM 1886 CB LYS A 116 3.647 11.122 -4.832 1.00 75.05 C ATOM 1887 CG LYS A 116 5.110 11.416 -4.452 1.00 24.33 C ATOM 1888 CD LYS A 116 5.867 12.108 -5.612 1.00 73.22 C ATOM 1889 CE LYS A 116 5.867 11.266 -6.900 1.00 21.24 C ATOM 1890 NZ LYS A 116 6.654 11.898 -7.994 1.00 13.14 N ATOM 0 H LYS A 116 1.286 10.749 -5.172 1.00 12.22 H new ATOM 0 HA LYS A 116 3.247 9.339 -3.633 1.00 72.15 H new ATOM 0 HB2 LYS A 116 3.643 10.572 -5.773 1.00 75.05 H new ATOM 0 HB3 LYS A 116 3.145 12.072 -5.016 1.00 75.05 H new ATOM 0 HG2 LYS A 116 5.137 12.052 -3.567 1.00 24.33 H new ATOM 0 HG3 LYS A 116 5.614 10.485 -4.191 1.00 24.33 H new ATOM 0 HD2 LYS A 116 5.409 13.076 -5.814 1.00 73.22 H new ATOM 0 HD3 LYS A 116 6.896 12.300 -5.307 1.00 73.22 H new ATOM 0 HE2 LYS A 116 6.277 10.279 -6.685 1.00 21.24 H new ATOM 0 HE3 LYS A 116 4.840 11.119 -7.234 1.00 21.24 H new ATOM 0 HZ1 LYS A 116 6.385 11.474 -8.905 1.00 13.14 H new ATOM 0 HZ2 LYS A 116 6.459 12.919 -8.016 1.00 13.14 H new ATOM 0 HZ3 LYS A 116 7.669 11.743 -7.826 1.00 13.14 H new ATOM 1904 N LYS A 117 1.976 12.095 -2.375 1.00 14.00 N ATOM 1905 CA LYS A 117 1.812 12.878 -1.147 1.00 53.43 C ATOM 1906 C LYS A 117 1.062 12.049 -0.095 1.00 73.13 C ATOM 1907 O LYS A 117 1.477 12.002 1.051 1.00 25.43 O ATOM 1908 CB LYS A 117 1.085 14.211 -1.449 1.00 52.53 C ATOM 1909 CG LYS A 117 1.885 15.147 -2.378 1.00 71.44 C ATOM 1910 CD LYS A 117 1.161 16.483 -2.655 1.00 11.41 C ATOM 1911 CE LYS A 117 1.925 17.368 -3.653 1.00 22.22 C ATOM 1912 NZ LYS A 117 1.221 18.660 -3.921 1.00 14.12 N ATOM 0 H LYS A 117 1.412 12.428 -3.157 1.00 14.00 H new ATOM 0 HA LYS A 117 2.794 13.125 -0.744 1.00 53.43 H new ATOM 0 HB2 LYS A 117 0.120 13.994 -1.907 1.00 52.53 H new ATOM 0 HB3 LYS A 117 0.884 14.728 -0.510 1.00 52.53 H new ATOM 0 HG2 LYS A 117 2.857 15.353 -1.929 1.00 71.44 H new ATOM 0 HG3 LYS A 117 2.072 14.638 -3.324 1.00 71.44 H new ATOM 0 HD2 LYS A 117 0.164 16.279 -3.044 1.00 11.41 H new ATOM 0 HD3 LYS A 117 1.032 17.025 -1.718 1.00 11.41 H new ATOM 0 HE2 LYS A 117 2.922 17.574 -3.263 1.00 22.22 H new ATOM 0 HE3 LYS A 117 2.055 16.826 -4.590 1.00 22.22 H new ATOM 0 HZ1 LYS A 117 1.774 19.222 -4.599 1.00 14.12 H new ATOM 0 HZ2 LYS A 117 0.279 18.466 -4.318 1.00 14.12 H new ATOM 0 HZ3 LYS A 117 1.120 19.191 -3.032 1.00 14.12 H new ATOM 1926 N LYS A 118 -0.005 11.348 -0.534 1.00 54.15 N ATOM 1927 CA LYS A 118 -0.786 10.419 0.321 1.00 31.33 C ATOM 1928 C LYS A 118 0.095 9.287 0.884 1.00 51.54 C ATOM 1929 O LYS A 118 -0.089 8.835 2.025 1.00 64.43 O ATOM 1930 CB LYS A 118 -1.968 9.823 -0.497 1.00 5.43 C ATOM 1931 CG LYS A 118 -3.074 10.841 -0.829 1.00 43.12 C ATOM 1932 CD LYS A 118 -3.806 11.336 0.437 1.00 31.10 C ATOM 1933 CE LYS A 118 -4.681 12.561 0.179 1.00 42.23 C ATOM 1934 NZ LYS A 118 -3.855 13.756 -0.129 1.00 12.05 N ATOM 0 H LYS A 118 -0.352 11.408 -1.491 1.00 54.15 H new ATOM 0 HA LYS A 118 -1.175 10.985 1.168 1.00 31.33 H new ATOM 0 HB2 LYS A 118 -1.580 9.407 -1.427 1.00 5.43 H new ATOM 0 HB3 LYS A 118 -2.405 8.997 0.064 1.00 5.43 H new ATOM 0 HG2 LYS A 118 -2.638 11.692 -1.351 1.00 43.12 H new ATOM 0 HG3 LYS A 118 -3.794 10.385 -1.509 1.00 43.12 H new ATOM 0 HD2 LYS A 118 -4.425 10.530 0.830 1.00 31.10 H new ATOM 0 HD3 LYS A 118 -3.071 11.577 1.205 1.00 31.10 H new ATOM 0 HE2 LYS A 118 -5.358 12.359 -0.652 1.00 42.23 H new ATOM 0 HE3 LYS A 118 -5.300 12.759 1.054 1.00 42.23 H new ATOM 0 HZ1 LYS A 118 -4.416 14.617 0.033 1.00 12.05 H new ATOM 0 HZ2 LYS A 118 -3.018 13.768 0.488 1.00 12.05 H new ATOM 0 HZ3 LYS A 118 -3.552 13.722 -1.123 1.00 12.05 H new ATOM 1948 N LEU A 119 1.050 8.855 0.050 1.00 61.05 N ATOM 1949 CA LEU A 119 1.999 7.782 0.357 1.00 73.34 C ATOM 1950 C LEU A 119 2.953 8.216 1.464 1.00 15.43 C ATOM 1951 O LEU A 119 3.116 7.505 2.461 1.00 35.54 O ATOM 1952 CB LEU A 119 2.763 7.406 -0.935 1.00 1.53 C ATOM 1953 CG LEU A 119 3.777 6.236 -0.852 1.00 12.23 C ATOM 1954 CD1 LEU A 119 3.137 4.970 -0.249 1.00 31.21 C ATOM 1955 CD2 LEU A 119 4.347 5.953 -2.252 1.00 61.31 C ATOM 0 H LEU A 119 1.186 9.253 -0.879 1.00 61.05 H new ATOM 0 HA LEU A 119 1.464 6.904 0.718 1.00 73.34 H new ATOM 0 HB2 LEU A 119 2.028 7.160 -1.701 1.00 1.53 H new ATOM 0 HB3 LEU A 119 3.298 8.291 -1.279 1.00 1.53 H new ATOM 0 HG LEU A 119 4.589 6.528 -0.186 1.00 12.23 H new ATOM 0 HD11 LEU A 119 3.878 4.172 -0.207 1.00 31.21 H new ATOM 0 HD12 LEU A 119 2.780 5.187 0.758 1.00 31.21 H new ATOM 0 HD13 LEU A 119 2.299 4.654 -0.871 1.00 31.21 H new ATOM 0 HD21 LEU A 119 5.060 5.131 -2.195 1.00 61.31 H new ATOM 0 HD22 LEU A 119 3.535 5.683 -2.928 1.00 61.31 H new ATOM 0 HD23 LEU A 119 4.850 6.844 -2.627 1.00 61.31 H new ATOM 1967 N LYS A 120 3.543 9.414 1.297 1.00 4.35 N ATOM 1968 CA LYS A 120 4.490 9.967 2.274 1.00 22.13 C ATOM 1969 C LYS A 120 3.773 10.378 3.567 1.00 31.32 C ATOM 1970 O LYS A 120 4.366 10.298 4.625 1.00 0.31 O ATOM 1971 CB LYS A 120 5.293 11.150 1.692 1.00 21.54 C ATOM 1972 CG LYS A 120 6.152 10.783 0.464 1.00 12.34 C ATOM 1973 CD LYS A 120 7.087 11.919 -0.018 1.00 34.33 C ATOM 1974 CE LYS A 120 6.352 13.232 -0.378 1.00 25.32 C ATOM 1975 NZ LYS A 120 6.009 14.066 0.816 1.00 70.30 N ATOM 0 H LYS A 120 3.378 10.017 0.491 1.00 4.35 H new ATOM 0 HA LYS A 120 5.201 9.177 2.514 1.00 22.13 H new ATOM 0 HB2 LYS A 120 4.600 11.944 1.413 1.00 21.54 H new ATOM 0 HB3 LYS A 120 5.942 11.552 2.470 1.00 21.54 H new ATOM 0 HG2 LYS A 120 6.756 9.908 0.705 1.00 12.34 H new ATOM 0 HG3 LYS A 120 5.492 10.499 -0.355 1.00 12.34 H new ATOM 0 HD2 LYS A 120 7.820 12.127 0.762 1.00 34.33 H new ATOM 0 HD3 LYS A 120 7.640 11.574 -0.891 1.00 34.33 H new ATOM 0 HE2 LYS A 120 6.977 13.817 -1.053 1.00 25.32 H new ATOM 0 HE3 LYS A 120 5.437 12.991 -0.919 1.00 25.32 H new ATOM 0 HZ1 LYS A 120 4.975 14.138 0.904 1.00 70.30 H new ATOM 0 HZ2 LYS A 120 6.399 13.623 1.672 1.00 70.30 H new ATOM 0 HZ3 LYS A 120 6.414 15.017 0.703 1.00 70.30 H new ATOM 1989 N GLU A 121 2.487 10.791 3.459 1.00 64.12 N ATOM 1990 CA GLU A 121 1.624 11.094 4.633 1.00 71.22 C ATOM 1991 C GLU A 121 1.501 9.853 5.539 1.00 62.50 C ATOM 1992 O GLU A 121 1.560 9.958 6.764 1.00 74.24 O ATOM 1993 CB GLU A 121 0.200 11.574 4.190 1.00 65.43 C ATOM 1994 CG GLU A 121 0.136 13.009 3.629 1.00 23.54 C ATOM 1995 CD GLU A 121 -1.265 13.386 3.093 1.00 14.21 C ATOM 1996 OE1 GLU A 121 -2.180 13.620 3.910 1.00 34.35 O ATOM 1997 OE2 GLU A 121 -1.463 13.446 1.853 1.00 70.22 O ATOM 0 H GLU A 121 2.018 10.924 2.563 1.00 64.12 H new ATOM 0 HA GLU A 121 2.095 11.903 5.191 1.00 71.22 H new ATOM 0 HB2 GLU A 121 -0.178 10.888 3.432 1.00 65.43 H new ATOM 0 HB3 GLU A 121 -0.472 11.505 5.046 1.00 65.43 H new ATOM 0 HG2 GLU A 121 0.421 13.712 4.412 1.00 23.54 H new ATOM 0 HG3 GLU A 121 0.866 13.112 2.826 1.00 23.54 H new ATOM 2004 N ALA A 122 1.348 8.684 4.896 1.00 73.44 N ATOM 2005 CA ALA A 122 1.262 7.374 5.574 1.00 20.31 C ATOM 2006 C ALA A 122 2.634 6.942 6.149 1.00 53.42 C ATOM 2007 O ALA A 122 2.703 6.350 7.233 1.00 14.14 O ATOM 2008 CB ALA A 122 0.712 6.320 4.596 1.00 42.22 C ATOM 0 H ALA A 122 1.280 8.618 3.880 1.00 73.44 H new ATOM 0 HA ALA A 122 0.578 7.464 6.418 1.00 20.31 H new ATOM 0 HB1 ALA A 122 0.650 5.355 5.099 1.00 42.22 H new ATOM 0 HB2 ALA A 122 -0.281 6.619 4.260 1.00 42.22 H new ATOM 0 HB3 ALA A 122 1.377 6.239 3.736 1.00 42.22 H new ATOM 2014 N LEU A 123 3.716 7.264 5.413 1.00 12.22 N ATOM 2015 CA LEU A 123 5.108 7.004 5.848 1.00 34.05 C ATOM 2016 C LEU A 123 5.497 7.901 7.048 1.00 15.52 C ATOM 2017 O LEU A 123 6.318 7.524 7.880 1.00 1.30 O ATOM 2018 CB LEU A 123 6.089 7.233 4.662 1.00 34.43 C ATOM 2019 CG LEU A 123 5.940 6.273 3.438 1.00 64.15 C ATOM 2020 CD1 LEU A 123 6.856 6.702 2.266 1.00 11.22 C ATOM 2021 CD2 LEU A 123 6.210 4.813 3.851 1.00 72.31 C ATOM 0 H LEU A 123 3.652 7.712 4.499 1.00 12.22 H new ATOM 0 HA LEU A 123 5.175 5.965 6.171 1.00 34.05 H new ATOM 0 HB2 LEU A 123 5.965 8.257 4.309 1.00 34.43 H new ATOM 0 HB3 LEU A 123 7.108 7.148 5.041 1.00 34.43 H new ATOM 0 HG LEU A 123 4.910 6.340 3.087 1.00 64.15 H new ATOM 0 HD11 LEU A 123 6.727 6.012 1.432 1.00 11.22 H new ATOM 0 HD12 LEU A 123 6.591 7.710 1.948 1.00 11.22 H new ATOM 0 HD13 LEU A 123 7.896 6.686 2.592 1.00 11.22 H new ATOM 0 HD21 LEU A 123 6.100 4.163 2.983 1.00 72.31 H new ATOM 0 HD22 LEU A 123 7.223 4.727 4.243 1.00 72.31 H new ATOM 0 HD23 LEU A 123 5.497 4.515 4.620 1.00 72.31 H new ATOM 2033 N GLU A 124 4.884 9.092 7.120 1.00 74.43 N ATOM 2034 CA GLU A 124 5.085 10.048 8.230 1.00 74.45 C ATOM 2035 C GLU A 124 4.415 9.551 9.527 1.00 32.15 C ATOM 2036 O GLU A 124 4.860 9.894 10.627 1.00 74.25 O ATOM 2037 CB GLU A 124 4.553 11.455 7.826 1.00 2.23 C ATOM 2038 CG GLU A 124 5.434 12.201 6.791 1.00 63.50 C ATOM 2039 CD GLU A 124 4.776 13.482 6.254 1.00 1.33 C ATOM 2040 OE1 GLU A 124 4.603 14.447 7.037 1.00 71.20 O ATOM 2041 OE2 GLU A 124 4.422 13.532 5.051 1.00 54.30 O ATOM 0 H GLU A 124 4.232 9.424 6.410 1.00 74.43 H new ATOM 0 HA GLU A 124 6.154 10.125 8.428 1.00 74.45 H new ATOM 0 HB2 GLU A 124 3.548 11.346 7.418 1.00 2.23 H new ATOM 0 HB3 GLU A 124 4.469 12.069 8.723 1.00 2.23 H new ATOM 0 HG2 GLU A 124 6.389 12.455 7.251 1.00 63.50 H new ATOM 0 HG3 GLU A 124 5.650 11.533 5.957 1.00 63.50 H new ATOM 2048 N LYS A 125 3.343 8.741 9.383 1.00 24.23 N ATOM 2049 CA LYS A 125 2.618 8.138 10.529 1.00 40.12 C ATOM 2050 C LYS A 125 3.400 6.960 11.133 1.00 51.42 C ATOM 2051 O LYS A 125 3.067 6.483 12.220 1.00 61.45 O ATOM 2052 CB LYS A 125 1.212 7.658 10.091 1.00 13.31 C ATOM 2053 CG LYS A 125 0.332 8.744 9.457 1.00 54.35 C ATOM 2054 CD LYS A 125 0.174 10.018 10.323 1.00 73.02 C ATOM 2055 CE LYS A 125 -0.746 11.060 9.661 1.00 55.53 C ATOM 2056 NZ LYS A 125 -0.276 11.447 8.305 1.00 31.02 N ATOM 0 H LYS A 125 2.956 8.486 8.475 1.00 24.23 H new ATOM 0 HA LYS A 125 2.515 8.910 11.292 1.00 40.12 H new ATOM 0 HB2 LYS A 125 1.328 6.841 9.378 1.00 13.31 H new ATOM 0 HB3 LYS A 125 0.695 7.252 10.960 1.00 13.31 H new ATOM 0 HG2 LYS A 125 0.757 9.024 8.493 1.00 54.35 H new ATOM 0 HG3 LYS A 125 -0.656 8.327 9.261 1.00 54.35 H new ATOM 0 HD2 LYS A 125 -0.231 9.745 11.297 1.00 73.02 H new ATOM 0 HD3 LYS A 125 1.155 10.460 10.498 1.00 73.02 H new ATOM 0 HE2 LYS A 125 -1.757 10.657 9.592 1.00 55.53 H new ATOM 0 HE3 LYS A 125 -0.799 11.947 10.292 1.00 55.53 H new ATOM 0 HZ1 LYS A 125 -0.164 12.480 8.258 1.00 31.02 H new ATOM 0 HZ2 LYS A 125 0.638 10.990 8.111 1.00 31.02 H new ATOM 0 HZ3 LYS A 125 -0.973 11.142 7.596 1.00 31.02 H new ATOM 2070 N SER A 126 4.410 6.471 10.400 1.00 4.11 N ATOM 2071 CA SER A 126 5.309 5.401 10.879 1.00 41.33 C ATOM 2072 C SER A 126 6.670 5.977 11.300 1.00 71.32 C ATOM 2073 O SER A 126 6.853 7.205 11.342 1.00 44.21 O ATOM 2074 CB SER A 126 5.491 4.336 9.781 1.00 51.23 C ATOM 2075 OG SER A 126 6.097 4.876 8.626 1.00 21.44 O ATOM 0 H SER A 126 4.630 6.802 9.461 1.00 4.11 H new ATOM 0 HA SER A 126 4.856 4.934 11.753 1.00 41.33 H new ATOM 0 HB2 SER A 126 6.102 3.519 10.164 1.00 51.23 H new ATOM 0 HB3 SER A 126 4.521 3.913 9.519 1.00 51.23 H new ATOM 0 HG SER A 126 6.158 5.850 8.714 1.00 21.44 H new ATOM 2081 N GLY A 127 7.629 5.078 11.617 1.00 24.35 N ATOM 2082 CA GLY A 127 9.004 5.485 11.913 1.00 22.23 C ATOM 2083 C GLY A 127 9.813 5.750 10.648 1.00 40.45 C ATOM 2084 O GLY A 127 10.827 5.096 10.398 1.00 74.12 O ATOM 0 H GLY A 127 7.468 4.072 11.672 1.00 24.35 H new ATOM 0 HA2 GLY A 127 8.990 6.385 12.528 1.00 22.23 H new ATOM 0 HA3 GLY A 127 9.493 4.706 12.498 1.00 22.23 H new ATOM 2088 N SER A 128 9.342 6.719 9.852 1.00 35.23 N ATOM 2089 CA SER A 128 9.992 7.152 8.609 1.00 1.23 C ATOM 2090 C SER A 128 9.816 8.674 8.493 1.00 71.35 C ATOM 2091 O SER A 128 8.821 9.164 7.950 1.00 24.13 O ATOM 2092 CB SER A 128 9.385 6.412 7.392 1.00 23.31 C ATOM 2093 OG SER A 128 9.424 5.011 7.588 1.00 53.33 O ATOM 0 H SER A 128 8.485 7.232 10.057 1.00 35.23 H new ATOM 0 HA SER A 128 11.054 6.908 8.626 1.00 1.23 H new ATOM 0 HB2 SER A 128 8.355 6.734 7.241 1.00 23.31 H new ATOM 0 HB3 SER A 128 9.937 6.673 6.489 1.00 23.31 H new ATOM 0 HG SER A 128 10.266 4.655 7.236 1.00 53.33 H new