USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 57 LYS NZ :NH3+ -179:sc= 1.55 (180deg=0.242) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.811 K(o=2.4,f=-10!) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -161:sc= 2.3 (180deg=0.415) USER MOD Set 2.2: A 50 GLN : amide:sc= 1.41 K(o=3.7,f=-14!) USER MOD Set 3.1: A 8 TYR OH : rot -62:sc= 1.18 USER MOD Set 3.2: A 44 GLN : amide:sc= 0.723 K(o=1.9,f=-2.8) USER MOD Single : A 6 MET CE :methyl 170:sc=-0.00184 (180deg=-0.138) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 11 TYR OH : rot -4:sc= 1.31 USER MOD Single : A 12 GLN : amide:sc= 1.3 K(o=1.3,f=-5!) USER MOD Single : A 13 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-1.53e-05) USER MOD Single : A 21 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.646 K(o=0.65,f=-6.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 36 HIS : no HD1:sc= -0.0935 X(o=-0.093,f=-0.42) USER MOD Single : A 39 SER OG : rot -18:sc= 1.12 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 51 ASN : amide:sc= -0.0814 K(o=-0.081,f=-2.7!) USER MOD Single : A 54 MET CE :methyl 175:sc= 0 (180deg=-0.0345) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 0.99 (180deg=0.276) USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= 1.05 (180deg=0.246) USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.935) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= 1.64 (180deg=1.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 4.859 11.304 9.009 1.00 5.49 N ATOM 2 CA MET A 6 4.041 10.514 8.073 1.00 4.75 C ATOM 3 C MET A 6 3.288 9.475 8.895 1.00 3.83 C ATOM 4 O MET A 6 3.741 9.173 9.999 1.00 4.15 O ATOM 5 CB MET A 6 4.888 9.895 6.951 1.00 5.75 C ATOM 6 CG MET A 6 5.966 8.912 7.435 1.00 6.54 C ATOM 7 SD MET A 6 6.981 8.165 6.130 1.00 8.57 S ATOM 8 CE MET A 6 7.833 9.604 5.446 1.00 9.68 C ATOM 0 HA MET A 6 3.327 11.154 7.555 1.00 4.75 H new ATOM 0 HB2 MET A 6 4.226 9.376 6.257 1.00 5.75 H new ATOM 0 HB3 MET A 6 5.370 10.697 6.392 1.00 5.75 H new ATOM 0 HG2 MET A 6 6.624 9.434 8.129 1.00 6.54 H new ATOM 0 HG3 MET A 6 5.480 8.113 7.996 1.00 6.54 H new ATOM 0 HE1 MET A 6 8.615 9.273 4.762 1.00 9.68 H new ATOM 0 HE2 MET A 6 7.119 10.227 4.907 1.00 9.68 H new ATOM 0 HE3 MET A 6 8.280 10.181 6.256 1.00 9.68 H new ATOM 18 N THR A 7 2.132 9.004 8.428 1.00 3.24 N ATOM 19 CA THR A 7 1.198 8.211 9.218 1.00 2.36 C ATOM 20 C THR A 7 0.284 7.470 8.233 1.00 1.99 C ATOM 21 O THR A 7 0.351 7.742 7.031 1.00 2.63 O ATOM 22 CB THR A 7 0.420 9.149 10.171 1.00 3.16 C ATOM 23 OG1 THR A 7 1.305 10.064 10.790 1.00 4.34 O ATOM 24 CG2 THR A 7 -0.314 8.416 11.298 1.00 2.71 C ATOM 0 H THR A 7 1.815 9.167 7.472 1.00 3.24 H new ATOM 0 HA THR A 7 1.703 7.475 9.844 1.00 2.36 H new ATOM 0 HB THR A 7 -0.316 9.646 9.539 1.00 3.16 H new ATOM 0 HG1 THR A 7 0.800 10.653 11.389 1.00 4.34 H new ATOM 0 HG21 THR A 7 -0.836 9.140 11.924 1.00 2.71 H new ATOM 0 HG22 THR A 7 -1.035 7.720 10.870 1.00 2.71 H new ATOM 0 HG23 THR A 7 0.406 7.866 11.903 1.00 2.71 H new ATOM 32 N TYR A 8 -0.531 6.538 8.733 1.00 1.25 N ATOM 33 CA TYR A 8 -1.580 5.847 7.997 1.00 0.85 C ATOM 34 C TYR A 8 -2.845 5.933 8.847 1.00 0.84 C ATOM 35 O TYR A 8 -2.725 6.011 10.069 1.00 1.25 O ATOM 36 CB TYR A 8 -1.218 4.367 7.815 1.00 0.75 C ATOM 37 CG TYR A 8 0.154 4.107 7.232 1.00 0.85 C ATOM 38 CD1 TYR A 8 1.266 3.967 8.083 1.00 1.34 C ATOM 39 CD2 TYR A 8 0.313 3.974 5.843 1.00 1.47 C ATOM 40 CE1 TYR A 8 2.535 3.698 7.543 1.00 1.41 C ATOM 41 CE2 TYR A 8 1.581 3.707 5.304 1.00 1.80 C ATOM 42 CZ TYR A 8 2.686 3.545 6.156 1.00 1.42 C ATOM 43 OH TYR A 8 3.920 3.334 5.631 1.00 1.83 O ATOM 0 H TYR A 8 -0.471 6.235 9.705 1.00 1.25 H new ATOM 0 HA TYR A 8 -1.713 6.299 7.014 1.00 0.85 H new ATOM 0 HB2 TYR A 8 -1.284 3.872 8.784 1.00 0.75 H new ATOM 0 HB3 TYR A 8 -1.964 3.904 7.169 1.00 0.75 H new ATOM 0 HD1 TYR A 8 1.144 4.066 9.151 1.00 1.34 H new ATOM 0 HD2 TYR A 8 -0.541 4.077 5.190 1.00 1.47 H new ATOM 0 HE1 TYR A 8 3.392 3.609 8.194 1.00 1.41 H new ATOM 0 HE2 TYR A 8 1.707 3.626 4.234 1.00 1.80 H new ATOM 0 HH TYR A 8 4.492 4.108 5.818 1.00 1.83 H new ATOM 53 N THR A 9 -4.031 5.884 8.234 1.00 0.62 N ATOM 54 CA THR A 9 -5.282 5.705 8.972 1.00 0.70 C ATOM 55 C THR A 9 -5.893 4.323 8.709 1.00 0.54 C ATOM 56 O THR A 9 -5.360 3.509 7.948 1.00 0.44 O ATOM 57 CB THR A 9 -6.246 6.884 8.745 1.00 0.91 C ATOM 58 OG1 THR A 9 -7.388 6.741 9.572 1.00 2.27 O ATOM 59 CG2 THR A 9 -6.703 7.026 7.294 1.00 1.09 C ATOM 0 H THR A 9 -4.150 5.966 7.224 1.00 0.62 H new ATOM 0 HA THR A 9 -5.062 5.722 10.039 1.00 0.70 H new ATOM 0 HB THR A 9 -5.688 7.785 9.000 1.00 0.91 H new ATOM 0 HG1 THR A 9 -7.996 7.495 9.424 1.00 2.27 H new ATOM 0 HG21 THR A 9 -7.380 7.876 7.207 1.00 1.09 H new ATOM 0 HG22 THR A 9 -5.836 7.186 6.653 1.00 1.09 H new ATOM 0 HG23 THR A 9 -7.220 6.118 6.985 1.00 1.09 H new ATOM 67 N ARG A 10 -7.013 4.051 9.381 1.00 0.60 N ATOM 68 CA ARG A 10 -7.643 2.741 9.427 1.00 0.65 C ATOM 69 C ARG A 10 -8.063 2.316 8.028 1.00 0.55 C ATOM 70 O ARG A 10 -7.675 1.253 7.559 1.00 0.53 O ATOM 71 CB ARG A 10 -8.833 2.758 10.391 1.00 0.85 C ATOM 72 CG ARG A 10 -9.277 1.330 10.744 1.00 1.03 C ATOM 73 CD ARG A 10 -10.475 0.855 9.910 1.00 1.45 C ATOM 74 NE ARG A 10 -10.803 -0.547 10.218 1.00 2.01 N ATOM 75 CZ ARG A 10 -11.886 -1.206 9.773 1.00 2.87 C ATOM 76 NH1 ARG A 10 -12.790 -0.571 9.018 1.00 3.81 N ATOM 77 NH2 ARG A 10 -12.060 -2.496 10.084 1.00 3.83 N ATOM 0 H ARG A 10 -7.515 4.757 9.920 1.00 0.60 H new ATOM 0 HA ARG A 10 -6.926 2.009 9.799 1.00 0.65 H new ATOM 0 HB2 ARG A 10 -8.561 3.293 11.301 1.00 0.85 H new ATOM 0 HB3 ARG A 10 -9.664 3.300 9.939 1.00 0.85 H new ATOM 0 HG2 ARG A 10 -8.441 0.647 10.592 1.00 1.03 H new ATOM 0 HG3 ARG A 10 -9.537 1.286 11.802 1.00 1.03 H new ATOM 0 HD2 ARG A 10 -11.339 1.488 10.112 1.00 1.45 H new ATOM 0 HD3 ARG A 10 -10.248 0.955 8.849 1.00 1.45 H new ATOM 0 HE ARG A 10 -10.156 -1.059 10.817 1.00 2.01 H new ATOM 0 HH11 ARG A 10 -12.656 0.412 8.781 1.00 3.81 H new ATOM 0 HH12 ARG A 10 -13.613 -1.070 8.679 1.00 3.81 H new ATOM 0 HH21 ARG A 10 -11.370 -2.979 10.659 1.00 3.83 H new ATOM 0 HH22 ARG A 10 -12.882 -2.996 9.746 1.00 3.83 H new ATOM 91 N TYR A 11 -8.864 3.157 7.375 1.00 0.55 N ATOM 92 CA TYR A 11 -9.319 2.949 6.004 1.00 0.56 C ATOM 93 C TYR A 11 -8.148 2.612 5.083 1.00 0.46 C ATOM 94 O TYR A 11 -8.170 1.608 4.375 1.00 0.53 O ATOM 95 CB TYR A 11 -10.030 4.210 5.506 1.00 0.63 C ATOM 96 CG TYR A 11 -10.093 4.329 3.994 1.00 0.64 C ATOM 97 CD1 TYR A 11 -10.596 3.276 3.203 1.00 0.63 C ATOM 98 CD2 TYR A 11 -9.470 5.428 3.369 1.00 0.78 C ATOM 99 CE1 TYR A 11 -10.406 3.291 1.809 1.00 0.69 C ATOM 100 CE2 TYR A 11 -9.307 5.452 1.975 1.00 0.88 C ATOM 101 CZ TYR A 11 -9.751 4.374 1.196 1.00 0.81 C ATOM 102 OH TYR A 11 -9.548 4.402 -0.149 1.00 1.00 O ATOM 0 H TYR A 11 -9.220 4.017 7.793 1.00 0.55 H new ATOM 0 HA TYR A 11 -10.012 2.108 5.991 1.00 0.56 H new ATOM 0 HB2 TYR A 11 -11.045 4.223 5.903 1.00 0.63 H new ATOM 0 HB3 TYR A 11 -9.519 5.085 5.908 1.00 0.63 H new ATOM 0 HD1 TYR A 11 -11.127 2.458 3.667 1.00 0.63 H new ATOM 0 HD2 TYR A 11 -9.116 6.256 3.966 1.00 0.78 H new ATOM 0 HE1 TYR A 11 -10.764 2.468 1.208 1.00 0.69 H new ATOM 0 HE2 TYR A 11 -8.839 6.302 1.502 1.00 0.88 H new ATOM 0 HH TYR A 11 -9.860 3.561 -0.544 1.00 1.00 H new ATOM 112 N GLN A 12 -7.135 3.477 5.080 1.00 0.34 N ATOM 113 CA GLN A 12 -5.963 3.318 4.252 1.00 0.33 C ATOM 114 C GLN A 12 -5.375 1.927 4.497 1.00 0.31 C ATOM 115 O GLN A 12 -5.192 1.157 3.557 1.00 0.40 O ATOM 116 CB GLN A 12 -4.973 4.421 4.627 1.00 0.33 C ATOM 117 CG GLN A 12 -5.385 5.809 4.114 1.00 0.33 C ATOM 118 CD GLN A 12 -4.305 6.847 4.425 1.00 0.41 C ATOM 119 OE1 GLN A 12 -3.594 6.712 5.418 1.00 0.58 O ATOM 120 NE2 GLN A 12 -4.182 7.877 3.592 1.00 0.40 N ATOM 0 H GLN A 12 -7.114 4.314 5.663 1.00 0.34 H new ATOM 0 HA GLN A 12 -6.201 3.402 3.192 1.00 0.33 H new ATOM 0 HB2 GLN A 12 -4.874 4.457 5.712 1.00 0.33 H new ATOM 0 HB3 GLN A 12 -3.991 4.170 4.226 1.00 0.33 H new ATOM 0 HG2 GLN A 12 -5.557 5.768 3.038 1.00 0.33 H new ATOM 0 HG3 GLN A 12 -6.326 6.108 4.576 1.00 0.33 H new ATOM 0 HE21 GLN A 12 -4.793 7.951 2.779 1.00 0.40 H new ATOM 0 HE22 GLN A 12 -3.477 8.593 3.767 1.00 0.40 H new ATOM 129 N THR A 13 -5.129 1.589 5.767 1.00 0.25 N ATOM 130 CA THR A 13 -4.652 0.267 6.157 1.00 0.26 C ATOM 131 C THR A 13 -5.570 -0.836 5.608 1.00 0.33 C ATOM 132 O THR A 13 -5.091 -1.831 5.072 1.00 0.34 O ATOM 133 CB THR A 13 -4.487 0.195 7.682 1.00 0.36 C ATOM 134 OG1 THR A 13 -3.697 1.282 8.126 1.00 0.43 O ATOM 135 CG2 THR A 13 -3.787 -1.099 8.107 1.00 0.42 C ATOM 0 H THR A 13 -5.257 2.229 6.551 1.00 0.25 H new ATOM 0 HA THR A 13 -3.671 0.097 5.714 1.00 0.26 H new ATOM 0 HB THR A 13 -5.483 0.228 8.123 1.00 0.36 H new ATOM 0 HG1 THR A 13 -4.254 2.085 8.194 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.686 -1.118 9.192 1.00 0.42 H new ATOM 0 HG22 THR A 13 -4.377 -1.956 7.782 1.00 0.42 H new ATOM 0 HG23 THR A 13 -2.799 -1.145 7.650 1.00 0.42 H new ATOM 143 N LEU A 14 -6.887 -0.658 5.718 1.00 0.42 N ATOM 144 CA LEU A 14 -7.890 -1.567 5.184 1.00 0.52 C ATOM 145 C LEU A 14 -7.630 -1.836 3.703 1.00 0.57 C ATOM 146 O LEU A 14 -7.469 -2.985 3.291 1.00 0.67 O ATOM 147 CB LEU A 14 -9.290 -0.939 5.366 1.00 0.54 C ATOM 148 CG LEU A 14 -10.366 -1.899 5.863 1.00 0.70 C ATOM 149 CD1 LEU A 14 -11.719 -1.179 5.868 1.00 0.76 C ATOM 150 CD2 LEU A 14 -10.472 -3.172 5.012 1.00 0.96 C ATOM 0 H LEU A 14 -7.292 0.147 6.196 1.00 0.42 H new ATOM 0 HA LEU A 14 -7.838 -2.514 5.721 1.00 0.52 H new ATOM 0 HB2 LEU A 14 -9.211 -0.110 6.069 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -9.611 -0.520 4.412 1.00 0.54 H new ATOM 0 HG LEU A 14 -10.083 -2.209 6.869 1.00 0.70 H new ATOM 0 HD11 LEU A 14 -12.492 -1.860 6.222 1.00 0.76 H new ATOM 0 HD12 LEU A 14 -11.668 -0.313 6.528 1.00 0.76 H new ATOM 0 HD13 LEU A 14 -11.960 -0.851 4.857 1.00 0.76 H new ATOM 0 HD21 LEU A 14 -11.254 -3.815 5.415 1.00 0.96 H new ATOM 0 HD22 LEU A 14 -10.717 -2.903 3.984 1.00 0.96 H new ATOM 0 HD23 LEU A 14 -9.520 -3.703 5.031 1.00 0.96 H new ATOM 162 N GLU A 15 -7.602 -0.769 2.900 1.00 0.59 N ATOM 163 CA GLU A 15 -7.479 -0.896 1.459 1.00 0.73 C ATOM 164 C GLU A 15 -6.117 -1.499 1.120 1.00 0.64 C ATOM 165 O GLU A 15 -6.000 -2.360 0.251 1.00 0.70 O ATOM 166 CB GLU A 15 -7.731 0.455 0.782 1.00 0.90 C ATOM 167 CG GLU A 15 -7.784 0.273 -0.744 1.00 1.21 C ATOM 168 CD GLU A 15 -8.340 1.494 -1.462 1.00 1.43 C ATOM 169 OE1 GLU A 15 -9.424 1.951 -1.039 1.00 2.65 O ATOM 170 OE2 GLU A 15 -7.679 1.945 -2.420 1.00 2.63 O ATOM 0 H GLU A 15 -7.664 0.193 3.233 1.00 0.59 H new ATOM 0 HA GLU A 15 -8.238 -1.575 1.071 1.00 0.73 H new ATOM 0 HB2 GLU A 15 -8.668 0.881 1.139 1.00 0.90 H new ATOM 0 HB3 GLU A 15 -6.940 1.157 1.046 1.00 0.90 H new ATOM 0 HG2 GLU A 15 -6.781 0.063 -1.116 1.00 1.21 H new ATOM 0 HG3 GLU A 15 -8.400 -0.595 -0.981 1.00 1.21 H new ATOM 177 N LEU A 16 -5.083 -1.092 1.852 1.00 0.52 N ATOM 178 CA LEU A 16 -3.764 -1.662 1.724 1.00 0.45 C ATOM 179 C LEU A 16 -3.771 -3.162 1.968 1.00 0.42 C ATOM 180 O LEU A 16 -3.157 -3.898 1.201 1.00 0.43 O ATOM 181 CB LEU A 16 -2.838 -0.969 2.715 1.00 0.34 C ATOM 182 CG LEU A 16 -2.406 0.399 2.206 1.00 0.52 C ATOM 183 CD1 LEU A 16 -1.861 1.224 3.368 1.00 0.50 C ATOM 184 CD2 LEU A 16 -1.326 0.216 1.140 1.00 0.68 C ATOM 0 H LEU A 16 -5.147 -0.353 2.552 1.00 0.52 H new ATOM 0 HA LEU A 16 -3.412 -1.507 0.704 1.00 0.45 H new ATOM 0 HB2 LEU A 16 -3.345 -0.859 3.674 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -1.958 -1.589 2.889 1.00 0.34 H new ATOM 0 HG LEU A 16 -3.258 0.921 1.771 1.00 0.52 H new ATOM 0 HD11 LEU A 16 -1.551 2.204 3.005 1.00 0.50 H new ATOM 0 HD12 LEU A 16 -2.637 1.346 4.123 1.00 0.50 H new ATOM 0 HD13 LEU A 16 -1.004 0.713 3.807 1.00 0.50 H new ATOM 0 HD21 LEU A 16 -1.011 1.192 0.770 1.00 0.68 H new ATOM 0 HD22 LEU A 16 -0.470 -0.301 1.574 1.00 0.68 H new ATOM 0 HD23 LEU A 16 -1.726 -0.373 0.315 1.00 0.68 H new ATOM 196 N GLU A 17 -4.433 -3.634 3.025 1.00 0.42 N ATOM 197 CA GLU A 17 -4.412 -5.043 3.352 1.00 0.51 C ATOM 198 C GLU A 17 -5.275 -5.831 2.360 1.00 0.75 C ATOM 199 O GLU A 17 -4.883 -6.909 1.911 1.00 0.84 O ATOM 200 CB GLU A 17 -4.792 -5.224 4.826 1.00 0.72 C ATOM 201 CG GLU A 17 -3.663 -5.997 5.522 1.00 0.88 C ATOM 202 CD GLU A 17 -3.986 -6.426 6.943 1.00 1.78 C ATOM 203 OE1 GLU A 17 -5.170 -6.364 7.329 1.00 2.57 O ATOM 204 OE2 GLU A 17 -3.000 -6.762 7.639 1.00 3.04 O ATOM 0 H GLU A 17 -4.985 -3.058 3.661 1.00 0.42 H new ATOM 0 HA GLU A 17 -3.410 -5.458 3.245 1.00 0.51 H new ATOM 0 HB2 GLU A 17 -4.939 -4.255 5.302 1.00 0.72 H new ATOM 0 HB3 GLU A 17 -5.733 -5.767 4.912 1.00 0.72 H new ATOM 0 HG2 GLU A 17 -3.427 -6.882 4.932 1.00 0.88 H new ATOM 0 HG3 GLU A 17 -2.768 -5.375 5.537 1.00 0.88 H new ATOM 211 N LYS A 18 -6.407 -5.251 1.948 1.00 0.89 N ATOM 212 CA LYS A 18 -7.175 -5.724 0.805 1.00 1.03 C ATOM 213 C LYS A 18 -6.279 -5.860 -0.420 1.00 1.03 C ATOM 214 O LYS A 18 -6.374 -6.875 -1.111 1.00 1.14 O ATOM 215 CB LYS A 18 -8.375 -4.795 0.570 1.00 1.15 C ATOM 216 CG LYS A 18 -9.173 -5.139 -0.694 1.00 1.09 C ATOM 217 CD LYS A 18 -10.369 -4.182 -0.815 1.00 2.14 C ATOM 218 CE LYS A 18 -11.047 -4.254 -2.191 1.00 2.62 C ATOM 219 NZ LYS A 18 -11.553 -5.605 -2.508 1.00 4.47 N ATOM 0 H LYS A 18 -6.814 -4.435 2.405 1.00 0.89 H new ATOM 0 HA LYS A 18 -7.570 -6.719 1.009 1.00 1.03 H new ATOM 0 HB2 LYS A 18 -9.038 -4.844 1.434 1.00 1.15 H new ATOM 0 HB3 LYS A 18 -8.021 -3.767 0.498 1.00 1.15 H new ATOM 0 HG2 LYS A 18 -8.536 -5.056 -1.574 1.00 1.09 H new ATOM 0 HG3 LYS A 18 -9.521 -6.171 -0.649 1.00 1.09 H new ATOM 0 HD2 LYS A 18 -11.099 -4.420 -0.042 1.00 2.14 H new ATOM 0 HD3 LYS A 18 -10.033 -3.161 -0.633 1.00 2.14 H new ATOM 0 HE2 LYS A 18 -11.874 -3.545 -2.221 1.00 2.62 H new ATOM 0 HE3 LYS A 18 -10.336 -3.948 -2.958 1.00 2.62 H new ATOM 0 HZ1 LYS A 18 -12.015 -5.593 -3.439 1.00 4.47 H new ATOM 0 HZ2 LYS A 18 -10.760 -6.278 -2.524 1.00 4.47 H new ATOM 0 HZ3 LYS A 18 -12.240 -5.897 -1.784 1.00 4.47 H new ATOM 233 N GLU A 19 -5.409 -4.882 -0.702 1.00 0.96 N ATOM 234 CA GLU A 19 -4.478 -5.097 -1.789 1.00 1.08 C ATOM 235 C GLU A 19 -3.549 -6.250 -1.439 1.00 1.09 C ATOM 236 O GLU A 19 -3.462 -7.180 -2.221 1.00 1.30 O ATOM 237 CB GLU A 19 -3.742 -3.838 -2.233 1.00 1.09 C ATOM 238 CG GLU A 19 -2.983 -4.254 -3.504 1.00 2.14 C ATOM 239 CD GLU A 19 -2.588 -3.100 -4.384 1.00 1.67 C ATOM 240 OE1 GLU A 19 -3.418 -2.196 -4.609 1.00 1.79 O ATOM 241 OE2 GLU A 19 -1.478 -3.163 -4.944 1.00 2.70 O ATOM 0 H GLU A 19 -5.338 -3.987 -0.218 1.00 0.96 H new ATOM 0 HA GLU A 19 -5.054 -5.374 -2.672 1.00 1.08 H new ATOM 0 HB2 GLU A 19 -4.438 -3.024 -2.436 1.00 1.09 H new ATOM 0 HB3 GLU A 19 -3.058 -3.487 -1.461 1.00 1.09 H new ATOM 0 HG2 GLU A 19 -2.086 -4.802 -3.216 1.00 2.14 H new ATOM 0 HG3 GLU A 19 -3.605 -4.940 -4.079 1.00 2.14 H new ATOM 248 N PHE A 20 -2.898 -6.234 -0.279 1.00 0.91 N ATOM 249 CA PHE A 20 -1.917 -7.238 0.109 1.00 0.88 C ATOM 250 C PHE A 20 -2.416 -8.674 -0.082 1.00 0.99 C ATOM 251 O PHE A 20 -1.689 -9.544 -0.561 1.00 1.08 O ATOM 252 CB PHE A 20 -1.487 -7.021 1.557 1.00 0.82 C ATOM 253 CG PHE A 20 -0.188 -7.730 1.862 1.00 0.73 C ATOM 254 CD1 PHE A 20 1.026 -7.125 1.494 1.00 0.71 C ATOM 255 CD2 PHE A 20 -0.191 -9.028 2.405 1.00 0.95 C ATOM 256 CE1 PHE A 20 2.239 -7.792 1.719 1.00 0.83 C ATOM 257 CE2 PHE A 20 1.022 -9.712 2.590 1.00 0.93 C ATOM 258 CZ PHE A 20 2.239 -9.091 2.259 1.00 0.84 C ATOM 0 H PHE A 20 -3.041 -5.512 0.427 1.00 0.91 H new ATOM 0 HA PHE A 20 -1.062 -7.112 -0.556 1.00 0.88 H new ATOM 0 HB2 PHE A 20 -1.374 -5.954 1.748 1.00 0.82 H new ATOM 0 HB3 PHE A 20 -2.266 -7.383 2.227 1.00 0.82 H new ATOM 0 HD1 PHE A 20 1.025 -6.146 1.038 1.00 0.71 H new ATOM 0 HD2 PHE A 20 -1.124 -9.498 2.679 1.00 0.95 H new ATOM 0 HE1 PHE A 20 3.174 -7.308 1.478 1.00 0.83 H new ATOM 0 HE2 PHE A 20 1.020 -10.716 2.987 1.00 0.93 H new ATOM 0 HZ PHE A 20 3.172 -9.610 2.419 1.00 0.84 H new ATOM 268 N HIS A 21 -3.654 -8.946 0.330 1.00 1.02 N ATOM 269 CA HIS A 21 -4.263 -10.257 0.149 1.00 1.12 C ATOM 270 C HIS A 21 -4.376 -10.615 -1.341 1.00 1.23 C ATOM 271 O HIS A 21 -4.315 -11.788 -1.702 1.00 1.47 O ATOM 272 CB HIS A 21 -5.633 -10.287 0.839 1.00 1.14 C ATOM 273 CG HIS A 21 -5.570 -10.422 2.344 1.00 2.20 C ATOM 274 ND1 HIS A 21 -6.402 -11.212 3.107 1.00 3.12 N ATOM 275 CD2 HIS A 21 -4.653 -9.857 3.195 1.00 3.71 C ATOM 276 CE1 HIS A 21 -5.991 -11.124 4.384 1.00 4.29 C ATOM 277 NE2 HIS A 21 -4.924 -10.317 4.485 1.00 4.80 N ATOM 0 H HIS A 21 -4.257 -8.267 0.795 1.00 1.02 H new ATOM 0 HA HIS A 21 -3.624 -11.011 0.610 1.00 1.12 H new ATOM 0 HB2 HIS A 21 -6.172 -9.373 0.590 1.00 1.14 H new ATOM 0 HB3 HIS A 21 -6.212 -11.118 0.435 1.00 1.14 H new ATOM 0 HD2 HIS A 21 -3.862 -9.177 2.916 1.00 3.71 H new ATOM 0 HE1 HIS A 21 -6.456 -11.633 5.215 1.00 4.29 H new ATOM 0 HE2 HIS A 21 -4.412 -10.085 5.336 1.00 4.80 H new ATOM 285 N PHE A 22 -4.552 -9.600 -2.188 1.00 1.19 N ATOM 286 CA PHE A 22 -4.763 -9.680 -3.623 1.00 1.27 C ATOM 287 C PHE A 22 -3.435 -9.563 -4.404 1.00 1.05 C ATOM 288 O PHE A 22 -2.927 -10.568 -4.896 1.00 1.51 O ATOM 289 CB PHE A 22 -5.799 -8.600 -3.979 1.00 1.42 C ATOM 290 CG PHE A 22 -6.080 -8.461 -5.462 1.00 1.54 C ATOM 291 CD1 PHE A 22 -6.756 -9.488 -6.146 1.00 1.95 C ATOM 292 CD2 PHE A 22 -5.620 -7.334 -6.169 1.00 1.58 C ATOM 293 CE1 PHE A 22 -6.981 -9.383 -7.529 1.00 2.17 C ATOM 294 CE2 PHE A 22 -5.844 -7.231 -7.552 1.00 1.81 C ATOM 295 CZ PHE A 22 -6.527 -8.254 -8.233 1.00 2.02 C ATOM 0 H PHE A 22 -4.550 -8.634 -1.860 1.00 1.19 H new ATOM 0 HA PHE A 22 -5.151 -10.655 -3.917 1.00 1.27 H new ATOM 0 HB2 PHE A 22 -6.733 -8.827 -3.465 1.00 1.42 H new ATOM 0 HB3 PHE A 22 -5.450 -7.641 -3.597 1.00 1.42 H new ATOM 0 HD1 PHE A 22 -7.102 -10.358 -5.608 1.00 1.95 H new ATOM 0 HD2 PHE A 22 -5.094 -6.548 -5.648 1.00 1.58 H new ATOM 0 HE1 PHE A 22 -7.503 -10.171 -8.052 1.00 2.17 H new ATOM 0 HE2 PHE A 22 -5.491 -6.365 -8.093 1.00 1.81 H new ATOM 0 HZ PHE A 22 -6.703 -8.173 -9.296 1.00 2.02 H new ATOM 305 N ASN A 23 -2.865 -8.357 -4.527 1.00 0.63 N ATOM 306 CA ASN A 23 -1.565 -8.085 -5.136 1.00 0.76 C ATOM 307 C ASN A 23 -0.506 -7.903 -4.036 1.00 0.77 C ATOM 308 O ASN A 23 -0.816 -7.504 -2.920 1.00 1.21 O ATOM 309 CB ASN A 23 -1.629 -6.826 -6.030 1.00 1.10 C ATOM 310 CG ASN A 23 -0.218 -6.263 -6.176 1.00 1.36 C ATOM 311 OD1 ASN A 23 0.629 -6.866 -6.831 1.00 1.92 O ATOM 312 ND2 ASN A 23 0.126 -5.282 -5.349 1.00 1.35 N ATOM 0 H ASN A 23 -3.321 -7.510 -4.188 1.00 0.63 H new ATOM 0 HA ASN A 23 -1.290 -8.932 -5.764 1.00 0.76 H new ATOM 0 HB2 ASN A 23 -2.040 -7.077 -7.008 1.00 1.10 H new ATOM 0 HB3 ASN A 23 -2.290 -6.081 -5.588 1.00 1.10 H new ATOM 0 HD21 ASN A 23 1.106 -5.019 -5.250 1.00 1.35 H new ATOM 0 HD22 ASN A 23 -0.590 -4.792 -4.813 1.00 1.35 H new ATOM 319 N ARG A 24 0.769 -8.134 -4.366 1.00 0.86 N ATOM 320 CA ARG A 24 1.890 -7.938 -3.478 1.00 0.89 C ATOM 321 C ARG A 24 2.960 -6.957 -3.978 1.00 0.84 C ATOM 322 O ARG A 24 3.786 -6.524 -3.166 1.00 1.02 O ATOM 323 CB ARG A 24 2.515 -9.306 -3.297 1.00 0.96 C ATOM 324 CG ARG A 24 1.637 -10.297 -2.557 1.00 1.13 C ATOM 325 CD ARG A 24 1.469 -9.907 -1.086 1.00 2.45 C ATOM 326 NE ARG A 24 0.619 -10.901 -0.451 1.00 3.08 N ATOM 327 CZ ARG A 24 0.963 -12.186 -0.356 1.00 3.16 C ATOM 328 NH1 ARG A 24 2.239 -12.557 -0.260 1.00 3.29 N ATOM 329 NH2 ARG A 24 0.043 -13.131 -0.427 1.00 4.40 N ATOM 0 H ARG A 24 1.044 -8.472 -5.288 1.00 0.86 H new ATOM 0 HA ARG A 24 1.517 -7.490 -2.557 1.00 0.89 H new ATOM 0 HB2 ARG A 24 2.758 -9.715 -4.278 1.00 0.96 H new ATOM 0 HB3 ARG A 24 3.455 -9.195 -2.756 1.00 0.96 H new ATOM 0 HG2 ARG A 24 0.659 -10.347 -3.036 1.00 1.13 H new ATOM 0 HG3 ARG A 24 2.075 -11.293 -2.623 1.00 1.13 H new ATOM 0 HD2 ARG A 24 2.439 -9.863 -0.591 1.00 2.45 H new ATOM 0 HD3 ARG A 24 1.023 -8.916 -1.003 1.00 2.45 H new ATOM 0 HE ARG A 24 -0.276 -10.604 -0.063 1.00 3.08 H new ATOM 0 HH11 ARG A 24 2.976 -11.852 -0.258 1.00 3.29 H new ATOM 0 HH12 ARG A 24 2.479 -13.546 -0.188 1.00 3.29 H new ATOM 0 HH21 ARG A 24 -0.937 -12.880 -0.555 1.00 4.40 H new ATOM 0 HH22 ARG A 24 0.313 -14.112 -0.354 1.00 4.40 H new ATOM 343 N TYR A 25 3.012 -6.647 -5.280 1.00 0.88 N ATOM 344 CA TYR A 25 4.119 -5.925 -5.881 1.00 0.88 C ATOM 345 C TYR A 25 3.605 -4.874 -6.864 1.00 0.87 C ATOM 346 O TYR A 25 3.033 -5.198 -7.899 1.00 1.17 O ATOM 347 CB TYR A 25 5.031 -6.940 -6.569 1.00 0.94 C ATOM 348 CG TYR A 25 5.780 -7.826 -5.591 1.00 1.26 C ATOM 349 CD1 TYR A 25 6.777 -7.269 -4.768 1.00 1.68 C ATOM 350 CD2 TYR A 25 5.378 -9.159 -5.395 1.00 1.54 C ATOM 351 CE1 TYR A 25 7.333 -8.027 -3.724 1.00 2.03 C ATOM 352 CE2 TYR A 25 5.935 -9.917 -4.350 1.00 1.89 C ATOM 353 CZ TYR A 25 6.907 -9.348 -3.512 1.00 2.02 C ATOM 354 OH TYR A 25 7.378 -10.041 -2.438 1.00 2.43 O ATOM 0 H TYR A 25 2.278 -6.896 -5.942 1.00 0.88 H new ATOM 0 HA TYR A 25 4.684 -5.392 -5.116 1.00 0.88 H new ATOM 0 HB2 TYR A 25 4.433 -7.565 -7.232 1.00 0.94 H new ATOM 0 HB3 TYR A 25 5.750 -6.409 -7.193 1.00 0.94 H new ATOM 0 HD1 TYR A 25 7.115 -6.258 -4.939 1.00 1.68 H new ATOM 0 HD2 TYR A 25 4.640 -9.601 -6.048 1.00 1.54 H new ATOM 0 HE1 TYR A 25 8.088 -7.594 -3.085 1.00 2.03 H new ATOM 0 HE2 TYR A 25 5.615 -10.936 -4.192 1.00 1.89 H new ATOM 0 HH TYR A 25 6.987 -10.940 -2.432 1.00 2.43 H new ATOM 364 N LEU A 26 3.829 -3.605 -6.524 1.00 0.89 N ATOM 365 CA LEU A 26 3.361 -2.450 -7.255 1.00 0.92 C ATOM 366 C LEU A 26 4.400 -1.993 -8.276 1.00 0.99 C ATOM 367 O LEU A 26 5.564 -1.802 -7.925 1.00 1.18 O ATOM 368 CB LEU A 26 3.136 -1.317 -6.254 1.00 0.99 C ATOM 369 CG LEU A 26 1.880 -1.522 -5.401 1.00 1.11 C ATOM 370 CD1 LEU A 26 1.962 -0.603 -4.185 1.00 1.29 C ATOM 371 CD2 LEU A 26 0.628 -1.173 -6.204 1.00 1.37 C ATOM 0 H LEU A 26 4.366 -3.354 -5.694 1.00 0.89 H new ATOM 0 HA LEU A 26 2.443 -2.708 -7.782 1.00 0.92 H new ATOM 0 HB2 LEU A 26 4.005 -1.237 -5.601 1.00 0.99 H new ATOM 0 HB3 LEU A 26 3.054 -0.373 -6.793 1.00 0.99 H new ATOM 0 HG LEU A 26 1.822 -2.566 -5.092 1.00 1.11 H new ATOM 0 HD11 LEU A 26 1.074 -0.737 -3.567 1.00 1.29 H new ATOM 0 HD12 LEU A 26 2.850 -0.849 -3.603 1.00 1.29 H new ATOM 0 HD13 LEU A 26 2.020 0.434 -4.516 1.00 1.29 H new ATOM 0 HD21 LEU A 26 -0.256 -1.324 -5.584 1.00 1.37 H new ATOM 0 HD22 LEU A 26 0.677 -0.131 -6.519 1.00 1.37 H new ATOM 0 HD23 LEU A 26 0.569 -1.815 -7.083 1.00 1.37 H new ATOM 383 N THR A 27 3.962 -1.731 -9.509 1.00 1.03 N ATOM 384 CA THR A 27 4.751 -0.966 -10.467 1.00 1.24 C ATOM 385 C THR A 27 4.603 0.529 -10.160 1.00 1.18 C ATOM 386 O THR A 27 3.754 0.917 -9.357 1.00 1.81 O ATOM 387 CB THR A 27 4.369 -1.322 -11.913 1.00 1.55 C ATOM 388 OG1 THR A 27 5.229 -0.627 -12.796 1.00 2.64 O ATOM 389 CG2 THR A 27 2.917 -0.977 -12.262 1.00 1.82 C ATOM 0 H THR A 27 3.058 -2.041 -9.866 1.00 1.03 H new ATOM 0 HA THR A 27 5.805 -1.226 -10.368 1.00 1.24 H new ATOM 0 HB THR A 27 4.473 -2.402 -12.014 1.00 1.55 H new ATOM 0 HG1 THR A 27 4.995 -0.848 -13.722 1.00 2.64 H new ATOM 0 HG21 THR A 27 2.716 -1.255 -13.297 1.00 1.82 H new ATOM 0 HG22 THR A 27 2.244 -1.525 -11.602 1.00 1.82 H new ATOM 0 HG23 THR A 27 2.757 0.094 -12.136 1.00 1.82 H new ATOM 397 N ARG A 28 5.425 1.369 -10.795 1.00 1.23 N ATOM 398 CA ARG A 28 5.508 2.797 -10.498 1.00 1.22 C ATOM 399 C ARG A 28 4.134 3.461 -10.616 1.00 1.02 C ATOM 400 O ARG A 28 3.675 4.115 -9.680 1.00 0.93 O ATOM 401 CB ARG A 28 6.540 3.478 -11.414 1.00 1.56 C ATOM 402 CG ARG A 28 6.776 4.941 -10.997 1.00 2.35 C ATOM 403 CD ARG A 28 7.615 5.722 -12.017 1.00 3.00 C ATOM 404 NE ARG A 28 8.987 5.200 -12.133 1.00 3.48 N ATOM 405 CZ ARG A 28 9.951 5.757 -12.887 1.00 4.41 C ATOM 406 NH1 ARG A 28 9.682 6.849 -13.611 1.00 4.92 N ATOM 407 NH2 ARG A 28 11.177 5.222 -12.913 1.00 5.52 N ATOM 0 H ARG A 28 6.058 1.071 -11.538 1.00 1.23 H new ATOM 0 HA ARG A 28 5.842 2.916 -9.467 1.00 1.22 H new ATOM 0 HB2 ARG A 28 7.481 2.930 -11.376 1.00 1.56 H new ATOM 0 HB3 ARG A 28 6.193 3.443 -12.447 1.00 1.56 H new ATOM 0 HG2 ARG A 28 5.814 5.437 -10.869 1.00 2.35 H new ATOM 0 HG3 ARG A 28 7.277 4.962 -10.029 1.00 2.35 H new ATOM 0 HD2 ARG A 28 7.129 5.679 -12.992 1.00 3.00 H new ATOM 0 HD3 ARG A 28 7.652 6.772 -11.725 1.00 3.00 H new ATOM 0 HE ARG A 28 9.222 4.359 -11.606 1.00 3.48 H new ATOM 0 HH11 ARG A 28 8.747 7.257 -13.590 1.00 4.92 H new ATOM 0 HH12 ARG A 28 10.411 7.274 -14.184 1.00 4.92 H new ATOM 0 HH21 ARG A 28 11.382 4.390 -12.360 1.00 5.52 H new ATOM 0 HH22 ARG A 28 11.907 5.646 -13.486 1.00 5.52 H new ATOM 421 N ARG A 29 3.481 3.299 -11.771 1.00 1.08 N ATOM 422 CA ARG A 29 2.255 4.033 -12.048 1.00 1.08 C ATOM 423 C ARG A 29 1.182 3.615 -11.051 1.00 0.97 C ATOM 424 O ARG A 29 0.530 4.467 -10.452 1.00 0.91 O ATOM 425 CB ARG A 29 1.786 3.798 -13.492 1.00 1.24 C ATOM 426 CG ARG A 29 0.754 4.854 -13.920 1.00 1.61 C ATOM 427 CD ARG A 29 0.015 4.402 -15.186 1.00 1.99 C ATOM 428 NE ARG A 29 -0.723 5.509 -15.822 1.00 2.64 N ATOM 429 CZ ARG A 29 -2.040 5.767 -15.713 1.00 2.74 C ATOM 430 NH1 ARG A 29 -2.802 5.115 -14.835 1.00 2.73 N ATOM 431 NH2 ARG A 29 -2.598 6.693 -16.501 1.00 3.85 N ATOM 0 H ARG A 29 3.781 2.672 -12.518 1.00 1.08 H new ATOM 0 HA ARG A 29 2.447 5.100 -11.939 1.00 1.08 H new ATOM 0 HB2 ARG A 29 2.643 3.829 -14.165 1.00 1.24 H new ATOM 0 HB3 ARG A 29 1.349 2.803 -13.578 1.00 1.24 H new ATOM 0 HG2 ARG A 29 0.039 5.020 -13.114 1.00 1.61 H new ATOM 0 HG3 ARG A 29 1.253 5.805 -14.104 1.00 1.61 H new ATOM 0 HD2 ARG A 29 0.732 3.990 -15.896 1.00 1.99 H new ATOM 0 HD3 ARG A 29 -0.680 3.601 -14.933 1.00 1.99 H new ATOM 0 HE ARG A 29 -0.179 6.145 -16.405 1.00 2.64 H new ATOM 0 HH11 ARG A 29 -2.389 4.405 -14.230 1.00 2.73 H new ATOM 0 HH12 ARG A 29 -3.798 5.326 -14.768 1.00 2.73 H new ATOM 0 HH21 ARG A 29 -2.026 7.198 -17.178 1.00 3.85 H new ATOM 0 HH22 ARG A 29 -3.595 6.894 -16.424 1.00 3.85 H new ATOM 445 N ARG A 30 1.032 2.305 -10.831 1.00 0.98 N ATOM 446 CA ARG A 30 0.030 1.854 -9.899 1.00 0.94 C ATOM 447 C ARG A 30 0.396 2.367 -8.502 1.00 0.75 C ATOM 448 O ARG A 30 -0.455 2.915 -7.827 1.00 0.72 O ATOM 449 CB ARG A 30 -0.190 0.339 -9.966 1.00 1.05 C ATOM 450 CG ARG A 30 -1.680 -0.060 -9.847 1.00 1.62 C ATOM 451 CD ARG A 30 -2.542 0.795 -8.899 1.00 1.64 C ATOM 452 NE ARG A 30 -3.704 0.093 -8.327 1.00 1.54 N ATOM 453 CZ ARG A 30 -3.627 -0.670 -7.228 1.00 1.56 C ATOM 454 NH1 ARG A 30 -2.435 -1.087 -6.810 1.00 3.21 N ATOM 455 NH2 ARG A 30 -4.712 -1.004 -6.528 1.00 1.85 N ATOM 0 H ARG A 30 1.580 1.569 -11.277 1.00 0.98 H new ATOM 0 HA ARG A 30 -0.939 2.272 -10.170 1.00 0.94 H new ATOM 0 HB2 ARG A 30 0.208 -0.039 -10.908 1.00 1.05 H new ATOM 0 HB3 ARG A 30 0.374 -0.140 -9.166 1.00 1.05 H new ATOM 0 HG2 ARG A 30 -2.125 -0.022 -10.841 1.00 1.62 H new ATOM 0 HG3 ARG A 30 -1.731 -1.097 -9.514 1.00 1.62 H new ATOM 0 HD2 ARG A 30 -1.914 1.155 -8.084 1.00 1.64 H new ATOM 0 HD3 ARG A 30 -2.895 1.672 -9.441 1.00 1.64 H new ATOM 0 HE ARG A 30 -4.608 0.192 -8.788 1.00 1.54 H new ATOM 0 HH11 ARG A 30 -1.594 -0.825 -7.324 1.00 3.21 H new ATOM 0 HH12 ARG A 30 -2.362 -1.668 -5.975 1.00 3.21 H new ATOM 0 HH21 ARG A 30 -5.631 -0.677 -6.825 1.00 1.85 H new ATOM 0 HH22 ARG A 30 -4.622 -1.586 -5.695 1.00 1.85 H new ATOM 469 N ARG A 31 1.647 2.253 -8.050 1.00 0.67 N ATOM 470 CA ARG A 31 2.060 2.789 -6.754 1.00 0.61 C ATOM 471 C ARG A 31 1.613 4.240 -6.582 1.00 0.56 C ATOM 472 O ARG A 31 1.062 4.608 -5.545 1.00 0.57 O ATOM 473 CB ARG A 31 3.573 2.720 -6.646 1.00 0.75 C ATOM 474 CG ARG A 31 3.914 2.914 -5.173 1.00 1.21 C ATOM 475 CD ARG A 31 4.939 1.868 -4.774 1.00 1.11 C ATOM 476 NE ARG A 31 6.199 2.063 -5.514 1.00 2.38 N ATOM 477 CZ ARG A 31 6.860 3.231 -5.520 1.00 2.75 C ATOM 478 NH1 ARG A 31 6.862 4.001 -4.440 1.00 2.98 N ATOM 479 NH2 ARG A 31 7.473 3.695 -6.609 1.00 3.87 N ATOM 0 H ARG A 31 2.395 1.791 -8.567 1.00 0.67 H new ATOM 0 HA ARG A 31 1.591 2.191 -5.972 1.00 0.61 H new ATOM 0 HB2 ARG A 31 3.944 1.760 -7.006 1.00 0.75 H new ATOM 0 HB3 ARG A 31 4.041 3.492 -7.257 1.00 0.75 H new ATOM 0 HG2 ARG A 31 4.310 3.916 -5.005 1.00 1.21 H new ATOM 0 HG3 ARG A 31 3.017 2.818 -4.561 1.00 1.21 H new ATOM 0 HD2 ARG A 31 5.128 1.928 -3.702 1.00 1.11 H new ATOM 0 HD3 ARG A 31 4.545 0.871 -4.973 1.00 1.11 H new ATOM 0 HE ARG A 31 6.583 1.280 -6.042 1.00 2.38 H new ATOM 0 HH11 ARG A 31 6.360 3.706 -3.602 1.00 2.98 H new ATOM 0 HH12 ARG A 31 7.365 4.888 -4.447 1.00 2.98 H new ATOM 0 HH21 ARG A 31 7.449 3.158 -7.476 1.00 3.87 H new ATOM 0 HH22 ARG A 31 7.966 4.587 -6.576 1.00 3.87 H new ATOM 493 N ILE A 32 1.848 5.064 -7.603 1.00 0.63 N ATOM 494 CA ILE A 32 1.350 6.426 -7.589 1.00 0.66 C ATOM 495 C ILE A 32 -0.172 6.432 -7.444 1.00 0.65 C ATOM 496 O ILE A 32 -0.704 7.134 -6.590 1.00 0.64 O ATOM 497 CB ILE A 32 1.847 7.184 -8.831 1.00 0.78 C ATOM 498 CG1 ILE A 32 3.338 7.543 -8.709 1.00 0.81 C ATOM 499 CG2 ILE A 32 1.003 8.437 -9.085 1.00 1.00 C ATOM 500 CD1 ILE A 32 3.690 8.348 -7.450 1.00 1.03 C ATOM 0 H ILE A 32 2.375 4.810 -8.439 1.00 0.63 H new ATOM 0 HA ILE A 32 1.744 6.956 -6.722 1.00 0.66 H new ATOM 0 HB ILE A 32 1.734 6.520 -9.688 1.00 0.78 H new ATOM 0 HG12 ILE A 32 3.923 6.623 -8.714 1.00 0.81 H new ATOM 0 HG13 ILE A 32 3.636 8.115 -9.588 1.00 0.81 H new ATOM 0 HG21 ILE A 32 1.376 8.954 -9.969 1.00 1.00 H new ATOM 0 HG22 ILE A 32 -0.036 8.150 -9.244 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.068 9.100 -8.222 1.00 1.00 H new ATOM 0 HD11 ILE A 32 4.759 8.560 -7.441 1.00 1.03 H new ATOM 0 HD12 ILE A 32 3.134 9.286 -7.451 1.00 1.03 H new ATOM 0 HD13 ILE A 32 3.427 7.771 -6.564 1.00 1.03 H new ATOM 512 N GLU A 33 -0.883 5.659 -8.262 1.00 0.72 N ATOM 513 CA GLU A 33 -2.325 5.649 -8.292 1.00 0.80 C ATOM 514 C GLU A 33 -2.877 5.239 -6.922 1.00 0.70 C ATOM 515 O GLU A 33 -3.798 5.879 -6.421 1.00 0.71 O ATOM 516 CB GLU A 33 -2.699 4.578 -9.317 1.00 0.90 C ATOM 517 CG GLU A 33 -2.896 5.135 -10.716 1.00 1.18 C ATOM 518 CD GLU A 33 -3.052 3.977 -11.692 1.00 2.34 C ATOM 519 OE1 GLU A 33 -3.982 3.173 -11.481 1.00 2.84 O ATOM 520 OE2 GLU A 33 -2.213 3.889 -12.618 1.00 3.63 O ATOM 0 H GLU A 33 -0.457 5.016 -8.929 1.00 0.72 H new ATOM 0 HA GLU A 33 -2.728 6.630 -8.541 1.00 0.80 H new ATOM 0 HB2 GLU A 33 -1.918 3.818 -9.342 1.00 0.90 H new ATOM 0 HB3 GLU A 33 -3.616 4.082 -8.997 1.00 0.90 H new ATOM 0 HG2 GLU A 33 -3.778 5.774 -10.746 1.00 1.18 H new ATOM 0 HG3 GLU A 33 -2.044 5.754 -10.999 1.00 1.18 H new ATOM 527 N ILE A 34 -2.347 4.172 -6.306 1.00 0.66 N ATOM 528 CA ILE A 34 -2.842 3.724 -5.021 1.00 0.66 C ATOM 529 C ILE A 34 -2.489 4.813 -4.009 1.00 0.49 C ATOM 530 O ILE A 34 -3.341 5.214 -3.221 1.00 0.52 O ATOM 531 CB ILE A 34 -2.375 2.288 -4.668 1.00 0.81 C ATOM 532 CG1 ILE A 34 -2.383 2.011 -3.164 1.00 0.93 C ATOM 533 CG2 ILE A 34 -0.968 1.886 -5.107 1.00 0.73 C ATOM 534 CD1 ILE A 34 -2.777 0.554 -2.896 1.00 1.61 C ATOM 0 H ILE A 34 -1.581 3.615 -6.684 1.00 0.66 H new ATOM 0 HA ILE A 34 -3.925 3.605 -5.024 1.00 0.66 H new ATOM 0 HB ILE A 34 -3.111 1.711 -5.229 1.00 0.81 H new ATOM 0 HG12 ILE A 34 -1.397 2.212 -2.745 1.00 0.93 H new ATOM 0 HG13 ILE A 34 -3.083 2.682 -2.667 1.00 0.93 H new ATOM 0 HG21 ILE A 34 -0.770 0.860 -4.798 1.00 0.73 H new ATOM 0 HG22 ILE A 34 -0.890 1.959 -6.192 1.00 0.73 H new ATOM 0 HG23 ILE A 34 -0.239 2.552 -4.645 1.00 0.73 H new ATOM 0 HD11 ILE A 34 -2.779 0.369 -1.822 1.00 1.61 H new ATOM 0 HD12 ILE A 34 -3.773 0.366 -3.298 1.00 1.61 H new ATOM 0 HD13 ILE A 34 -2.060 -0.111 -3.377 1.00 1.61 H new ATOM 546 N ALA A 35 -1.275 5.371 -4.062 1.00 0.42 N ATOM 547 CA ALA A 35 -0.948 6.465 -3.166 1.00 0.47 C ATOM 548 C ALA A 35 -1.929 7.624 -3.301 1.00 0.49 C ATOM 549 O ALA A 35 -2.336 8.157 -2.277 1.00 0.58 O ATOM 550 CB ALA A 35 0.493 6.937 -3.389 1.00 0.57 C ATOM 0 H ALA A 35 -0.529 5.089 -4.698 1.00 0.42 H new ATOM 0 HA ALA A 35 -1.033 6.088 -2.147 1.00 0.47 H new ATOM 0 HB1 ALA A 35 0.717 7.757 -2.707 1.00 0.57 H new ATOM 0 HB2 ALA A 35 1.179 6.111 -3.201 1.00 0.57 H new ATOM 0 HB3 ALA A 35 0.609 7.278 -4.418 1.00 0.57 H new ATOM 556 N HIS A 36 -2.336 7.993 -4.519 1.00 0.57 N ATOM 557 CA HIS A 36 -3.370 8.999 -4.745 1.00 0.71 C ATOM 558 C HIS A 36 -4.689 8.569 -4.111 1.00 0.65 C ATOM 559 O HIS A 36 -5.269 9.324 -3.335 1.00 0.68 O ATOM 560 CB HIS A 36 -3.561 9.271 -6.245 1.00 0.90 C ATOM 561 CG HIS A 36 -2.390 9.940 -6.913 1.00 1.03 C ATOM 562 ND1 HIS A 36 -2.338 10.373 -8.218 1.00 1.34 N ATOM 563 CD2 HIS A 36 -1.237 10.340 -6.298 1.00 1.08 C ATOM 564 CE1 HIS A 36 -1.174 11.027 -8.379 1.00 1.42 C ATOM 565 NE2 HIS A 36 -0.470 11.039 -7.235 1.00 1.29 N ATOM 0 H HIS A 36 -1.954 7.598 -5.378 1.00 0.57 H new ATOM 0 HA HIS A 36 -3.042 9.925 -4.272 1.00 0.71 H new ATOM 0 HB2 HIS A 36 -3.760 8.326 -6.750 1.00 0.90 H new ATOM 0 HB3 HIS A 36 -4.444 9.895 -6.378 1.00 0.90 H new ATOM 0 HD2 HIS A 36 -0.966 10.150 -5.270 1.00 1.08 H new ATOM 0 HE1 HIS A 36 -0.849 11.481 -9.303 1.00 1.42 H new ATOM 0 HE2 HIS A 36 0.441 11.471 -7.081 1.00 1.29 H new ATOM 573 N ALA A 37 -5.154 7.362 -4.438 1.00 0.66 N ATOM 574 CA ALA A 37 -6.406 6.822 -3.928 1.00 0.74 C ATOM 575 C ALA A 37 -6.449 6.886 -2.402 1.00 0.65 C ATOM 576 O ALA A 37 -7.472 7.250 -1.827 1.00 0.77 O ATOM 577 CB ALA A 37 -6.601 5.385 -4.420 1.00 0.85 C ATOM 0 H ALA A 37 -4.664 6.729 -5.071 1.00 0.66 H new ATOM 0 HA ALA A 37 -7.225 7.433 -4.308 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -7.541 4.992 -4.032 1.00 0.85 H new ATOM 0 HB2 ALA A 37 -6.625 5.374 -5.510 1.00 0.85 H new ATOM 0 HB3 ALA A 37 -5.776 4.765 -4.069 1.00 0.85 H new ATOM 583 N LEU A 38 -5.338 6.552 -1.738 1.00 0.52 N ATOM 584 CA LEU A 38 -5.298 6.588 -0.286 1.00 0.52 C ATOM 585 C LEU A 38 -5.060 8.010 0.206 1.00 0.43 C ATOM 586 O LEU A 38 -5.542 8.402 1.265 1.00 0.48 O ATOM 587 CB LEU A 38 -4.259 5.612 0.230 1.00 0.65 C ATOM 588 CG LEU A 38 -4.479 4.181 -0.284 1.00 1.05 C ATOM 589 CD1 LEU A 38 -3.584 3.180 0.440 1.00 1.34 C ATOM 590 CD2 LEU A 38 -5.926 3.703 -0.172 1.00 1.87 C ATOM 0 H LEU A 38 -4.468 6.258 -2.182 1.00 0.52 H new ATOM 0 HA LEU A 38 -6.263 6.274 0.112 1.00 0.52 H new ATOM 0 HB2 LEU A 38 -3.268 5.952 -0.069 1.00 0.65 H new ATOM 0 HB3 LEU A 38 -4.280 5.609 1.320 1.00 0.65 H new ATOM 0 HG LEU A 38 -4.219 4.226 -1.342 1.00 1.05 H new ATOM 0 HD11 LEU A 38 -3.768 2.179 0.050 1.00 1.34 H new ATOM 0 HD12 LEU A 38 -2.539 3.445 0.281 1.00 1.34 H new ATOM 0 HD13 LEU A 38 -3.805 3.200 1.507 1.00 1.34 H new ATOM 0 HD21 LEU A 38 -6.004 2.685 -0.554 1.00 1.87 H new ATOM 0 HD22 LEU A 38 -6.236 3.723 0.873 1.00 1.87 H new ATOM 0 HD23 LEU A 38 -6.572 4.359 -0.755 1.00 1.87 H new ATOM 602 N SER A 39 -4.281 8.755 -0.568 1.00 0.42 N ATOM 603 CA SER A 39 -3.551 9.953 -0.221 1.00 0.45 C ATOM 604 C SER A 39 -2.471 9.658 0.817 1.00 0.52 C ATOM 605 O SER A 39 -2.488 10.145 1.946 1.00 0.71 O ATOM 606 CB SER A 39 -4.437 11.186 -0.034 1.00 0.58 C ATOM 607 OG SER A 39 -5.278 11.113 1.100 1.00 1.57 O ATOM 0 H SER A 39 -4.135 8.506 -1.546 1.00 0.42 H new ATOM 0 HA SER A 39 -2.973 10.285 -1.083 1.00 0.45 H new ATOM 0 HB2 SER A 39 -3.803 12.069 0.051 1.00 0.58 H new ATOM 0 HB3 SER A 39 -5.052 11.319 -0.924 1.00 0.58 H new ATOM 0 HG SER A 39 -5.348 10.181 1.396 1.00 1.57 H new ATOM 613 N LEU A 40 -1.506 8.837 0.390 1.00 0.60 N ATOM 614 CA LEU A 40 -0.258 8.580 1.083 1.00 0.72 C ATOM 615 C LEU A 40 0.922 9.089 0.256 1.00 0.67 C ATOM 616 O LEU A 40 0.768 9.504 -0.888 1.00 0.90 O ATOM 617 CB LEU A 40 -0.154 7.077 1.330 1.00 0.86 C ATOM 618 CG LEU A 40 -0.977 6.649 2.551 1.00 1.16 C ATOM 619 CD1 LEU A 40 -1.049 5.127 2.574 1.00 1.46 C ATOM 620 CD2 LEU A 40 -0.369 7.133 3.874 1.00 1.30 C ATOM 0 H LEU A 40 -1.585 8.317 -0.484 1.00 0.60 H new ATOM 0 HA LEU A 40 -0.236 9.108 2.037 1.00 0.72 H new ATOM 0 HB2 LEU A 40 -0.501 6.538 0.449 1.00 0.86 H new ATOM 0 HB3 LEU A 40 0.890 6.803 1.480 1.00 0.86 H new ATOM 0 HG LEU A 40 -1.965 7.100 2.461 1.00 1.16 H new ATOM 0 HD11 LEU A 40 -1.631 4.803 3.437 1.00 1.46 H new ATOM 0 HD12 LEU A 40 -1.526 4.771 1.660 1.00 1.46 H new ATOM 0 HD13 LEU A 40 -0.042 4.716 2.641 1.00 1.46 H new ATOM 0 HD21 LEU A 40 -0.993 6.801 4.704 1.00 1.30 H new ATOM 0 HD22 LEU A 40 0.634 6.720 3.986 1.00 1.30 H new ATOM 0 HD23 LEU A 40 -0.315 8.222 3.873 1.00 1.30 H new ATOM 632 N THR A 41 2.118 9.063 0.848 1.00 0.66 N ATOM 633 CA THR A 41 3.258 9.844 0.386 1.00 0.65 C ATOM 634 C THR A 41 4.115 9.110 -0.652 1.00 0.68 C ATOM 635 O THR A 41 5.304 9.414 -0.758 1.00 0.99 O ATOM 636 CB THR A 41 4.116 10.242 1.607 1.00 1.20 C ATOM 637 OG1 THR A 41 4.956 9.163 1.967 1.00 2.74 O ATOM 638 CG2 THR A 41 3.315 10.669 2.848 1.00 1.28 C ATOM 0 H THR A 41 2.320 8.492 1.669 1.00 0.66 H new ATOM 0 HA THR A 41 2.870 10.729 -0.118 1.00 0.65 H new ATOM 0 HB THR A 41 4.684 11.116 1.288 1.00 1.20 H new ATOM 0 HG1 THR A 41 5.501 9.417 2.741 1.00 2.74 H new ATOM 0 HG21 THR A 41 4.002 10.930 3.653 1.00 1.28 H new ATOM 0 HG22 THR A 41 2.698 11.534 2.603 1.00 1.28 H new ATOM 0 HG23 THR A 41 2.676 9.847 3.169 1.00 1.28 H new ATOM 646 N GLU A 42 3.566 8.095 -1.330 1.00 0.64 N ATOM 647 CA GLU A 42 4.268 7.149 -2.197 1.00 0.75 C ATOM 648 C GLU A 42 5.220 6.269 -1.385 1.00 0.73 C ATOM 649 O GLU A 42 5.057 5.050 -1.306 1.00 0.73 O ATOM 650 CB GLU A 42 4.987 7.817 -3.396 1.00 1.03 C ATOM 651 CG GLU A 42 5.792 6.727 -4.122 1.00 1.60 C ATOM 652 CD GLU A 42 6.599 7.129 -5.345 1.00 2.22 C ATOM 653 OE1 GLU A 42 6.524 8.301 -5.756 1.00 3.03 O ATOM 654 OE2 GLU A 42 7.309 6.200 -5.811 1.00 3.22 O ATOM 0 H GLU A 42 2.565 7.904 -1.284 1.00 0.64 H new ATOM 0 HA GLU A 42 3.501 6.513 -2.639 1.00 0.75 H new ATOM 0 HB2 GLU A 42 4.263 8.272 -4.072 1.00 1.03 H new ATOM 0 HB3 GLU A 42 5.646 8.614 -3.052 1.00 1.03 H new ATOM 0 HG2 GLU A 42 6.478 6.283 -3.401 1.00 1.60 H new ATOM 0 HG3 GLU A 42 5.096 5.944 -4.424 1.00 1.60 H new ATOM 661 N ARG A 43 6.249 6.889 -0.814 1.00 0.80 N ATOM 662 CA ARG A 43 7.256 6.224 -0.005 1.00 0.88 C ATOM 663 C ARG A 43 6.554 5.388 1.062 1.00 0.78 C ATOM 664 O ARG A 43 6.900 4.229 1.276 1.00 0.77 O ATOM 665 CB ARG A 43 8.222 7.246 0.591 1.00 1.00 C ATOM 666 CG ARG A 43 8.982 8.012 -0.505 1.00 2.70 C ATOM 667 CD ARG A 43 9.886 9.109 0.073 1.00 2.88 C ATOM 668 NE ARG A 43 10.986 8.552 0.877 1.00 3.58 N ATOM 669 CZ ARG A 43 11.949 9.283 1.464 1.00 4.24 C ATOM 670 NH1 ARG A 43 11.938 10.616 1.346 1.00 4.21 N ATOM 671 NH2 ARG A 43 12.918 8.680 2.163 1.00 5.62 N ATOM 0 H ARG A 43 6.406 7.893 -0.906 1.00 0.80 H new ATOM 0 HA ARG A 43 7.857 5.555 -0.620 1.00 0.88 H new ATOM 0 HB2 ARG A 43 7.669 7.951 1.212 1.00 1.00 H new ATOM 0 HB3 ARG A 43 8.934 6.738 1.242 1.00 1.00 H new ATOM 0 HG2 ARG A 43 9.587 7.312 -1.082 1.00 2.70 H new ATOM 0 HG3 ARG A 43 8.267 8.460 -1.195 1.00 2.70 H new ATOM 0 HD2 ARG A 43 10.298 9.705 -0.741 1.00 2.88 H new ATOM 0 HD3 ARG A 43 9.290 9.781 0.690 1.00 2.88 H new ATOM 0 HE ARG A 43 11.020 7.540 0.997 1.00 3.58 H new ATOM 0 HH11 ARG A 43 11.200 11.075 0.812 1.00 4.21 H new ATOM 0 HH12 ARG A 43 12.668 11.173 1.790 1.00 4.21 H new ATOM 0 HH21 ARG A 43 12.927 7.664 2.251 1.00 5.62 H new ATOM 0 HH22 ARG A 43 13.648 9.237 2.608 1.00 5.62 H new ATOM 685 N GLN A 44 5.514 5.966 1.667 1.00 0.73 N ATOM 686 CA GLN A 44 4.666 5.326 2.646 1.00 0.68 C ATOM 687 C GLN A 44 4.107 4.011 2.081 1.00 0.62 C ATOM 688 O GLN A 44 4.083 3.019 2.788 1.00 0.58 O ATOM 689 CB GLN A 44 3.531 6.308 2.959 1.00 0.76 C ATOM 690 CG GLN A 44 3.821 7.211 4.167 1.00 1.21 C ATOM 691 CD GLN A 44 3.849 6.513 5.517 1.00 1.19 C ATOM 692 OE1 GLN A 44 4.809 5.833 5.869 1.00 2.59 O ATOM 693 NE2 GLN A 44 2.815 6.697 6.327 1.00 2.18 N ATOM 0 H GLN A 44 5.238 6.929 1.474 1.00 0.73 H new ATOM 0 HA GLN A 44 5.222 5.081 3.551 1.00 0.68 H new ATOM 0 HB2 GLN A 44 3.349 6.932 2.084 1.00 0.76 H new ATOM 0 HB3 GLN A 44 2.616 5.746 3.146 1.00 0.76 H new ATOM 0 HG2 GLN A 44 4.783 7.699 4.010 1.00 1.21 H new ATOM 0 HG3 GLN A 44 3.066 7.997 4.200 1.00 1.21 H new ATOM 0 HE21 GLN A 44 2.024 7.264 6.023 1.00 2.18 H new ATOM 0 HE22 GLN A 44 2.811 6.272 7.254 1.00 2.18 H new ATOM 702 N ILE A 45 3.669 3.963 0.818 1.00 0.66 N ATOM 703 CA ILE A 45 3.130 2.741 0.213 1.00 0.62 C ATOM 704 C ILE A 45 4.238 1.693 0.114 1.00 0.57 C ATOM 705 O ILE A 45 4.069 0.545 0.526 1.00 0.54 O ATOM 706 CB ILE A 45 2.515 3.057 -1.167 1.00 0.72 C ATOM 707 CG1 ILE A 45 1.383 4.082 -1.051 1.00 0.86 C ATOM 708 CG2 ILE A 45 2.021 1.830 -1.949 1.00 0.73 C ATOM 709 CD1 ILE A 45 0.138 3.581 -0.326 1.00 1.87 C ATOM 0 H ILE A 45 3.678 4.766 0.189 1.00 0.66 H new ATOM 0 HA ILE A 45 2.334 2.337 0.839 1.00 0.62 H new ATOM 0 HB ILE A 45 3.342 3.474 -1.742 1.00 0.72 H new ATOM 0 HG12 ILE A 45 1.760 4.962 -0.530 1.00 0.86 H new ATOM 0 HG13 ILE A 45 1.098 4.403 -2.053 1.00 0.86 H new ATOM 0 HG21 ILE A 45 1.606 2.151 -2.904 1.00 0.73 H new ATOM 0 HG22 ILE A 45 2.855 1.151 -2.125 1.00 0.73 H new ATOM 0 HG23 ILE A 45 1.251 1.317 -1.373 1.00 0.73 H new ATOM 0 HD11 ILE A 45 -0.608 4.375 -0.293 1.00 1.87 H new ATOM 0 HD12 ILE A 45 -0.271 2.721 -0.857 1.00 1.87 H new ATOM 0 HD13 ILE A 45 0.402 3.289 0.690 1.00 1.87 H new ATOM 721 N LYS A 46 5.388 2.089 -0.437 1.00 0.62 N ATOM 722 CA LYS A 46 6.520 1.181 -0.593 1.00 0.69 C ATOM 723 C LYS A 46 6.940 0.600 0.761 1.00 0.66 C ATOM 724 O LYS A 46 7.159 -0.611 0.876 1.00 0.69 O ATOM 725 CB LYS A 46 7.655 1.914 -1.332 1.00 0.89 C ATOM 726 CG LYS A 46 8.760 0.998 -1.886 1.00 1.36 C ATOM 727 CD LYS A 46 9.816 0.622 -0.830 1.00 1.68 C ATOM 728 CE LYS A 46 10.214 -0.861 -0.844 1.00 3.14 C ATOM 729 NZ LYS A 46 9.061 -1.746 -0.583 1.00 4.73 N ATOM 0 H LYS A 46 5.557 3.034 -0.782 1.00 0.62 H new ATOM 0 HA LYS A 46 6.239 0.323 -1.203 1.00 0.69 H new ATOM 0 HB2 LYS A 46 7.225 2.482 -2.157 1.00 0.89 H new ATOM 0 HB3 LYS A 46 8.107 2.635 -0.651 1.00 0.89 H new ATOM 0 HG2 LYS A 46 8.307 0.088 -2.279 1.00 1.36 H new ATOM 0 HG3 LYS A 46 9.251 1.496 -2.722 1.00 1.36 H new ATOM 0 HD2 LYS A 46 10.707 1.228 -0.991 1.00 1.68 H new ATOM 0 HD3 LYS A 46 9.432 0.875 0.158 1.00 1.68 H new ATOM 0 HE2 LYS A 46 10.650 -1.110 -1.811 1.00 3.14 H new ATOM 0 HE3 LYS A 46 10.983 -1.037 -0.092 1.00 3.14 H new ATOM 0 HZ1 LYS A 46 9.402 -2.682 -0.284 1.00 4.73 H new ATOM 0 HZ2 LYS A 46 8.472 -1.336 0.169 1.00 4.73 H new ATOM 0 HZ3 LYS A 46 8.496 -1.845 -1.450 1.00 4.73 H new ATOM 743 N ILE A 47 7.078 1.456 1.770 1.00 0.64 N ATOM 744 CA ILE A 47 7.378 1.057 3.138 1.00 0.62 C ATOM 745 C ILE A 47 6.276 0.129 3.639 1.00 0.60 C ATOM 746 O ILE A 47 6.574 -0.984 4.066 1.00 0.67 O ATOM 747 CB ILE A 47 7.629 2.313 3.996 1.00 0.67 C ATOM 748 CG1 ILE A 47 9.115 2.715 3.977 1.00 0.73 C ATOM 749 CG2 ILE A 47 7.203 2.183 5.464 1.00 0.69 C ATOM 750 CD1 ILE A 47 9.775 2.639 2.596 1.00 1.42 C ATOM 0 H ILE A 47 6.982 2.465 1.655 1.00 0.64 H new ATOM 0 HA ILE A 47 8.300 0.479 3.203 1.00 0.62 H new ATOM 0 HB ILE A 47 7.002 3.075 3.533 1.00 0.67 H new ATOM 0 HG12 ILE A 47 9.208 3.733 4.355 1.00 0.73 H new ATOM 0 HG13 ILE A 47 9.662 2.069 4.664 1.00 0.73 H new ATOM 0 HG21 ILE A 47 7.418 3.114 5.989 1.00 0.69 H new ATOM 0 HG22 ILE A 47 6.134 1.975 5.516 1.00 0.69 H new ATOM 0 HG23 ILE A 47 7.754 1.367 5.932 1.00 0.69 H new ATOM 0 HD11 ILE A 47 10.820 2.939 2.675 1.00 1.42 H new ATOM 0 HD12 ILE A 47 9.718 1.617 2.221 1.00 1.42 H new ATOM 0 HD13 ILE A 47 9.257 3.307 1.908 1.00 1.42 H new ATOM 762 N TRP A 48 5.016 0.545 3.522 1.00 0.56 N ATOM 763 CA TRP A 48 3.878 -0.206 4.013 1.00 0.52 C ATOM 764 C TRP A 48 3.885 -1.632 3.488 1.00 0.46 C ATOM 765 O TRP A 48 3.799 -2.568 4.276 1.00 0.48 O ATOM 766 CB TRP A 48 2.551 0.490 3.703 1.00 0.59 C ATOM 767 CG TRP A 48 1.409 -0.171 4.407 1.00 0.59 C ATOM 768 CD1 TRP A 48 0.933 0.207 5.614 1.00 0.60 C ATOM 769 CD2 TRP A 48 0.709 -1.410 4.072 1.00 0.49 C ATOM 770 NE1 TRP A 48 -0.010 -0.698 6.042 1.00 0.55 N ATOM 771 CE2 TRP A 48 -0.140 -1.750 5.166 1.00 0.44 C ATOM 772 CE3 TRP A 48 0.719 -2.298 2.972 1.00 0.45 C ATOM 773 CZ2 TRP A 48 -0.892 -2.930 5.197 1.00 0.37 C ATOM 774 CZ3 TRP A 48 -0.089 -3.450 2.963 1.00 0.33 C ATOM 775 CH2 TRP A 48 -0.890 -3.757 4.069 1.00 0.29 C ATOM 0 H TRP A 48 4.761 1.426 3.076 1.00 0.56 H new ATOM 0 HA TRP A 48 3.973 -0.248 5.098 1.00 0.52 H new ATOM 0 HB2 TRP A 48 2.609 1.536 4.003 1.00 0.59 H new ATOM 0 HB3 TRP A 48 2.374 0.476 2.628 1.00 0.59 H new ATOM 0 HD1 TRP A 48 1.245 1.085 6.159 1.00 0.60 H new ATOM 0 HE1 TRP A 48 -0.547 -0.601 6.904 1.00 0.55 H new ATOM 0 HE3 TRP A 48 1.357 -2.089 2.126 1.00 0.45 H new ATOM 0 HZ2 TRP A 48 -1.462 -3.197 6.074 1.00 0.37 H new ATOM 0 HZ3 TRP A 48 -0.091 -4.099 2.100 1.00 0.33 H new ATOM 0 HH2 TRP A 48 -1.512 -4.640 4.051 1.00 0.29 H new ATOM 786 N PHE A 49 4.002 -1.821 2.171 1.00 0.53 N ATOM 787 CA PHE A 49 4.037 -3.169 1.613 1.00 0.63 C ATOM 788 C PHE A 49 5.182 -3.980 2.225 1.00 0.72 C ATOM 789 O PHE A 49 5.012 -5.169 2.506 1.00 0.92 O ATOM 790 CB PHE A 49 4.103 -3.139 0.082 1.00 0.79 C ATOM 791 CG PHE A 49 2.741 -3.132 -0.586 1.00 0.70 C ATOM 792 CD1 PHE A 49 1.979 -1.950 -0.621 1.00 0.62 C ATOM 793 CD2 PHE A 49 2.195 -4.327 -1.098 1.00 1.16 C ATOM 794 CE1 PHE A 49 0.694 -1.955 -1.188 1.00 0.83 C ATOM 795 CE2 PHE A 49 0.917 -4.326 -1.685 1.00 1.15 C ATOM 796 CZ PHE A 49 0.176 -3.134 -1.744 1.00 0.89 C ATOM 0 H PHE A 49 4.073 -1.070 1.484 1.00 0.53 H new ATOM 0 HA PHE A 49 3.106 -3.671 1.876 1.00 0.63 H new ATOM 0 HB2 PHE A 49 4.657 -2.254 -0.232 1.00 0.79 H new ATOM 0 HB3 PHE A 49 4.664 -4.006 -0.266 1.00 0.79 H new ATOM 0 HD1 PHE A 49 2.383 -1.036 -0.211 1.00 0.62 H new ATOM 0 HD2 PHE A 49 2.760 -5.246 -1.039 1.00 1.16 H new ATOM 0 HE1 PHE A 49 0.104 -1.050 -1.196 1.00 0.83 H new ATOM 0 HE2 PHE A 49 0.506 -5.239 -2.089 1.00 1.15 H new ATOM 0 HZ PHE A 49 -0.794 -3.125 -2.218 1.00 0.89 H new ATOM 806 N GLN A 50 6.348 -3.358 2.444 1.00 0.69 N ATOM 807 CA GLN A 50 7.426 -4.066 3.122 1.00 0.81 C ATOM 808 C GLN A 50 7.046 -4.422 4.570 1.00 0.73 C ATOM 809 O GLN A 50 7.227 -5.563 4.996 1.00 0.85 O ATOM 810 CB GLN A 50 8.732 -3.263 3.027 1.00 0.91 C ATOM 811 CG GLN A 50 9.912 -4.167 2.638 1.00 1.49 C ATOM 812 CD GLN A 50 9.764 -4.788 1.245 1.00 3.79 C ATOM 813 OE1 GLN A 50 9.077 -4.255 0.367 1.00 4.80 O ATOM 814 NE2 GLN A 50 10.377 -5.943 1.017 1.00 5.16 N ATOM 0 H GLN A 50 6.560 -2.399 2.170 1.00 0.69 H new ATOM 0 HA GLN A 50 7.593 -5.017 2.616 1.00 0.81 H new ATOM 0 HB2 GLN A 50 8.621 -2.468 2.289 1.00 0.91 H new ATOM 0 HB3 GLN A 50 8.938 -2.783 3.984 1.00 0.91 H new ATOM 0 HG2 GLN A 50 10.833 -3.586 2.673 1.00 1.49 H new ATOM 0 HG3 GLN A 50 10.009 -4.964 3.375 1.00 1.49 H new ATOM 0 HE21 GLN A 50 10.942 -6.374 1.749 1.00 5.16 H new ATOM 0 HE22 GLN A 50 10.284 -6.400 0.110 1.00 5.16 H new ATOM 823 N ASN A 51 6.504 -3.467 5.328 1.00 0.71 N ATOM 824 CA ASN A 51 6.053 -3.703 6.698 1.00 0.87 C ATOM 825 C ASN A 51 5.024 -4.830 6.749 1.00 0.87 C ATOM 826 O ASN A 51 5.054 -5.681 7.640 1.00 1.04 O ATOM 827 CB ASN A 51 5.466 -2.442 7.356 1.00 1.03 C ATOM 828 CG ASN A 51 6.284 -1.166 7.186 1.00 1.10 C ATOM 829 OD1 ASN A 51 5.723 -0.091 7.017 1.00 2.23 O ATOM 830 ND2 ASN A 51 7.610 -1.256 7.253 1.00 0.89 N ATOM 0 H ASN A 51 6.366 -2.508 5.008 1.00 0.71 H new ATOM 0 HA ASN A 51 6.939 -3.991 7.263 1.00 0.87 H new ATOM 0 HB2 ASN A 51 4.470 -2.271 6.947 1.00 1.03 H new ATOM 0 HB3 ASN A 51 5.344 -2.634 8.422 1.00 1.03 H new ATOM 0 HD21 ASN A 51 8.183 -0.417 7.163 1.00 0.89 H new ATOM 0 HD22 ASN A 51 8.053 -2.164 7.394 1.00 0.89 H new ATOM 837 N ARG A 52 4.101 -4.840 5.787 1.00 0.75 N ATOM 838 CA ARG A 52 3.092 -5.869 5.706 1.00 0.73 C ATOM 839 C ARG A 52 3.771 -7.222 5.521 1.00 0.80 C ATOM 840 O ARG A 52 3.511 -8.140 6.304 1.00 1.55 O ATOM 841 CB ARG A 52 2.045 -5.580 4.645 1.00 0.79 C ATOM 842 CG ARG A 52 0.843 -6.512 4.864 1.00 0.88 C ATOM 843 CD ARG A 52 0.042 -6.232 6.149 1.00 1.02 C ATOM 844 NE ARG A 52 0.621 -6.759 7.383 1.00 2.26 N ATOM 845 CZ ARG A 52 0.353 -6.220 8.583 1.00 3.63 C ATOM 846 NH1 ARG A 52 -0.883 -5.815 8.874 1.00 3.34 N ATOM 847 NH2 ARG A 52 1.336 -6.053 9.476 1.00 5.77 N ATOM 0 H ARG A 52 4.041 -4.136 5.052 1.00 0.75 H new ATOM 0 HA ARG A 52 2.535 -5.889 6.642 1.00 0.73 H new ATOM 0 HB2 ARG A 52 1.729 -4.538 4.701 1.00 0.79 H new ATOM 0 HB3 ARG A 52 2.464 -5.733 3.650 1.00 0.79 H new ATOM 0 HG2 ARG A 52 0.173 -6.427 4.008 1.00 0.88 H new ATOM 0 HG3 ARG A 52 1.198 -7.542 4.890 1.00 0.88 H new ATOM 0 HD2 ARG A 52 -0.074 -5.153 6.255 1.00 1.02 H new ATOM 0 HD3 ARG A 52 -0.958 -6.650 6.031 1.00 1.02 H new ATOM 0 HE ARG A 52 1.248 -7.562 7.331 1.00 2.26 H new ATOM 0 HH11 ARG A 52 -1.628 -5.914 8.184 1.00 3.34 H new ATOM 0 HH12 ARG A 52 -1.084 -5.406 9.786 1.00 3.34 H new ATOM 0 HH21 ARG A 52 2.289 -6.335 9.245 1.00 5.77 H new ATOM 0 HH22 ARG A 52 1.133 -5.643 10.388 1.00 5.77 H new ATOM 861 N ARG A 53 4.675 -7.315 4.531 1.00 0.59 N ATOM 862 CA ARG A 53 5.499 -8.502 4.334 1.00 0.61 C ATOM 863 C ARG A 53 6.132 -8.958 5.654 1.00 0.82 C ATOM 864 O ARG A 53 6.090 -10.138 6.001 1.00 1.01 O ATOM 865 CB ARG A 53 6.565 -8.309 3.242 1.00 0.83 C ATOM 866 CG ARG A 53 6.001 -8.604 1.848 1.00 0.81 C ATOM 867 CD ARG A 53 7.086 -8.544 0.767 1.00 1.48 C ATOM 868 NE ARG A 53 7.313 -7.168 0.302 1.00 1.89 N ATOM 869 CZ ARG A 53 6.590 -6.543 -0.644 1.00 2.25 C ATOM 870 NH1 ARG A 53 5.520 -7.141 -1.180 1.00 2.45 N ATOM 871 NH2 ARG A 53 6.953 -5.321 -1.045 1.00 3.43 N ATOM 0 H ARG A 53 4.848 -6.572 3.854 1.00 0.59 H new ATOM 0 HA ARG A 53 4.834 -9.291 3.982 1.00 0.61 H new ATOM 0 HB2 ARG A 53 6.940 -7.286 3.275 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.412 -8.966 3.439 1.00 0.83 H new ATOM 0 HG2 ARG A 53 5.540 -9.592 1.845 1.00 0.81 H new ATOM 0 HG3 ARG A 53 5.216 -7.885 1.615 1.00 0.81 H new ATOM 0 HD2 ARG A 53 8.016 -8.953 1.161 1.00 1.48 H new ATOM 0 HD3 ARG A 53 6.795 -9.170 -0.076 1.00 1.48 H new ATOM 0 HE ARG A 53 8.078 -6.647 0.730 1.00 1.89 H new ATOM 0 HH11 ARG A 53 5.250 -8.075 -0.871 1.00 2.45 H new ATOM 0 HH12 ARG A 53 4.975 -6.663 -1.897 1.00 2.45 H new ATOM 0 HH21 ARG A 53 7.771 -4.872 -0.634 1.00 3.43 H new ATOM 0 HH22 ARG A 53 6.412 -4.838 -1.762 1.00 3.43 H new ATOM 885 N MET A 54 6.698 -8.020 6.411 1.00 0.91 N ATOM 886 CA MET A 54 7.348 -8.334 7.674 1.00 1.13 C ATOM 887 C MET A 54 6.444 -9.114 8.630 1.00 1.01 C ATOM 888 O MET A 54 6.931 -9.995 9.345 1.00 1.32 O ATOM 889 CB MET A 54 7.846 -7.042 8.339 1.00 1.40 C ATOM 890 CG MET A 54 9.287 -7.163 8.850 1.00 1.58 C ATOM 891 SD MET A 54 10.574 -7.514 7.620 1.00 2.07 S ATOM 892 CE MET A 54 10.487 -6.048 6.569 1.00 3.00 C ATOM 0 H MET A 54 6.717 -7.030 6.166 1.00 0.91 H new ATOM 0 HA MET A 54 8.194 -8.983 7.449 1.00 1.13 H new ATOM 0 HB2 MET A 54 7.785 -6.222 7.623 1.00 1.40 H new ATOM 0 HB3 MET A 54 7.189 -6.789 9.171 1.00 1.40 H new ATOM 0 HG2 MET A 54 9.546 -6.232 9.354 1.00 1.58 H new ATOM 0 HG3 MET A 54 9.314 -7.951 9.602 1.00 1.58 H new ATOM 0 HE1 MET A 54 11.282 -6.087 5.824 1.00 3.00 H new ATOM 0 HE2 MET A 54 9.520 -6.017 6.067 1.00 3.00 H new ATOM 0 HE3 MET A 54 10.606 -5.154 7.181 1.00 3.00 H new ATOM 902 N LYS A 55 5.150 -8.781 8.690 1.00 0.93 N ATOM 903 CA LYS A 55 4.229 -9.576 9.508 1.00 1.06 C ATOM 904 C LYS A 55 3.745 -10.812 8.763 1.00 0.99 C ATOM 905 O LYS A 55 3.516 -11.841 9.387 1.00 1.31 O ATOM 906 CB LYS A 55 3.036 -8.714 9.949 1.00 1.48 C ATOM 907 CG LYS A 55 2.085 -9.386 10.966 1.00 2.54 C ATOM 908 CD LYS A 55 0.889 -10.123 10.326 1.00 3.91 C ATOM 909 CE LYS A 55 -0.220 -10.482 11.336 1.00 4.87 C ATOM 910 NZ LYS A 55 0.170 -11.508 12.330 1.00 5.47 N ATOM 0 H LYS A 55 4.727 -7.993 8.199 1.00 0.93 H new ATOM 0 HA LYS A 55 4.771 -9.914 10.391 1.00 1.06 H new ATOM 0 HB2 LYS A 55 3.416 -7.790 10.385 1.00 1.48 H new ATOM 0 HB3 LYS A 55 2.461 -8.436 9.065 1.00 1.48 H new ATOM 0 HG2 LYS A 55 2.656 -10.096 11.565 1.00 2.54 H new ATOM 0 HG3 LYS A 55 1.705 -8.625 11.648 1.00 2.54 H new ATOM 0 HD2 LYS A 55 0.466 -9.499 9.539 1.00 3.91 H new ATOM 0 HD3 LYS A 55 1.247 -11.036 9.850 1.00 3.91 H new ATOM 0 HE2 LYS A 55 -0.521 -9.577 11.864 1.00 4.87 H new ATOM 0 HE3 LYS A 55 -1.093 -10.837 10.788 1.00 4.87 H new ATOM 0 HZ1 LYS A 55 -0.386 -11.378 13.199 1.00 5.47 H new ATOM 0 HZ2 LYS A 55 -0.011 -12.455 11.941 1.00 5.47 H new ATOM 0 HZ3 LYS A 55 1.182 -11.412 12.549 1.00 5.47 H new ATOM 924 N TRP A 56 3.713 -10.764 7.436 1.00 0.79 N ATOM 925 CA TRP A 56 3.288 -11.882 6.606 1.00 0.99 C ATOM 926 C TRP A 56 4.203 -13.060 6.797 1.00 1.17 C ATOM 927 O TRP A 56 3.773 -14.088 7.321 1.00 1.42 O ATOM 928 CB TRP A 56 3.083 -11.439 5.158 1.00 0.83 C ATOM 929 CG TRP A 56 3.335 -12.384 4.017 1.00 1.24 C ATOM 930 CD1 TRP A 56 2.437 -13.238 3.484 1.00 1.80 C ATOM 931 CD2 TRP A 56 4.511 -12.478 3.159 1.00 1.52 C ATOM 932 NE1 TRP A 56 2.953 -13.799 2.332 1.00 2.23 N ATOM 933 CE2 TRP A 56 4.215 -13.322 2.053 1.00 2.14 C ATOM 934 CE3 TRP A 56 5.811 -11.948 3.208 1.00 1.64 C ATOM 935 CZ2 TRP A 56 5.128 -13.531 1.003 1.00 2.72 C ATOM 936 CZ3 TRP A 56 6.779 -12.283 2.252 1.00 2.32 C ATOM 937 CH2 TRP A 56 6.420 -12.995 1.099 1.00 2.81 C ATOM 0 H TRP A 56 3.985 -9.939 6.902 1.00 0.79 H new ATOM 0 HA TRP A 56 2.307 -12.233 6.927 1.00 0.99 H new ATOM 0 HB2 TRP A 56 2.050 -11.101 5.071 1.00 0.83 H new ATOM 0 HB3 TRP A 56 3.718 -10.568 4.998 1.00 0.83 H new ATOM 0 HD1 TRP A 56 1.462 -13.451 3.896 1.00 1.80 H new ATOM 0 HE1 TRP A 56 2.460 -14.483 1.758 1.00 2.23 H new ATOM 0 HE3 TRP A 56 6.071 -11.265 4.003 1.00 1.64 H new ATOM 0 HZ2 TRP A 56 4.836 -14.099 0.132 1.00 2.72 H new ATOM 0 HZ3 TRP A 56 7.808 -11.991 2.404 1.00 2.32 H new ATOM 0 HH2 TRP A 56 7.129 -13.129 0.295 1.00 2.81 H new ATOM 948 N LYS A 57 5.471 -12.940 6.425 1.00 1.16 N ATOM 949 CA LYS A 57 6.273 -14.149 6.463 1.00 1.39 C ATOM 950 C LYS A 57 6.670 -14.555 7.893 1.00 1.53 C ATOM 951 O LYS A 57 7.234 -15.632 8.105 1.00 1.79 O ATOM 952 CB LYS A 57 7.369 -14.174 5.411 1.00 1.49 C ATOM 953 CG LYS A 57 7.412 -15.533 4.664 1.00 1.92 C ATOM 954 CD LYS A 57 6.251 -15.728 3.654 1.00 2.98 C ATOM 955 CE LYS A 57 6.020 -17.194 3.228 1.00 4.13 C ATOM 956 NZ LYS A 57 4.741 -17.375 2.494 1.00 5.42 N ATOM 0 H LYS A 57 5.937 -12.087 6.116 1.00 1.16 H new ATOM 0 HA LYS A 57 5.635 -14.975 6.148 1.00 1.39 H new ATOM 0 HB2 LYS A 57 7.205 -13.369 4.694 1.00 1.49 H new ATOM 0 HB3 LYS A 57 8.333 -13.988 5.884 1.00 1.49 H new ATOM 0 HG2 LYS A 57 8.361 -15.616 4.134 1.00 1.92 H new ATOM 0 HG3 LYS A 57 7.384 -16.340 5.396 1.00 1.92 H new ATOM 0 HD2 LYS A 57 5.332 -15.341 4.095 1.00 2.98 H new ATOM 0 HD3 LYS A 57 6.454 -15.131 2.765 1.00 2.98 H new ATOM 0 HE2 LYS A 57 6.847 -17.521 2.598 1.00 4.13 H new ATOM 0 HE3 LYS A 57 6.022 -17.831 4.112 1.00 4.13 H new ATOM 0 HZ1 LYS A 57 4.623 -18.378 2.244 1.00 5.42 H new ATOM 0 HZ2 LYS A 57 3.949 -17.073 3.097 1.00 5.42 H new ATOM 0 HZ3 LYS A 57 4.754 -16.802 1.627 1.00 5.42 H new ATOM 970 N LYS A 58 6.336 -13.727 8.892 1.00 1.42 N ATOM 971 CA LYS A 58 6.421 -14.053 10.296 1.00 1.58 C ATOM 972 C LYS A 58 5.089 -14.591 10.849 1.00 1.75 C ATOM 973 O LYS A 58 5.061 -15.113 11.960 1.00 1.96 O ATOM 974 CB LYS A 58 6.865 -12.756 10.985 1.00 1.51 C ATOM 975 CG LYS A 58 7.059 -12.977 12.476 1.00 1.77 C ATOM 976 CD LYS A 58 8.042 -12.007 13.146 1.00 2.33 C ATOM 977 CE LYS A 58 7.626 -10.531 13.050 1.00 3.25 C ATOM 978 NZ LYS A 58 7.999 -9.906 11.763 1.00 4.18 N ATOM 0 H LYS A 58 5.989 -12.783 8.724 1.00 1.42 H new ATOM 0 HA LYS A 58 7.131 -14.860 10.479 1.00 1.58 H new ATOM 0 HB2 LYS A 58 7.796 -12.403 10.541 1.00 1.51 H new ATOM 0 HB3 LYS A 58 6.119 -11.978 10.822 1.00 1.51 H new ATOM 0 HG2 LYS A 58 6.092 -12.892 12.971 1.00 1.77 H new ATOM 0 HG3 LYS A 58 7.410 -13.996 12.636 1.00 1.77 H new ATOM 0 HD2 LYS A 58 8.144 -12.278 14.197 1.00 2.33 H new ATOM 0 HD3 LYS A 58 9.024 -12.128 12.689 1.00 2.33 H new ATOM 0 HE2 LYS A 58 6.547 -10.454 13.185 1.00 3.25 H new ATOM 0 HE3 LYS A 58 8.090 -9.975 13.865 1.00 3.25 H new ATOM 0 HZ1 LYS A 58 8.111 -8.880 11.895 1.00 4.18 H new ATOM 0 HZ2 LYS A 58 8.896 -10.312 11.427 1.00 4.18 H new ATOM 0 HZ3 LYS A 58 7.253 -10.086 11.061 1.00 4.18 H new ATOM 992 N GLU A 59 4.029 -14.560 10.043 1.00 1.76 N ATOM 993 CA GLU A 59 2.715 -15.129 10.320 1.00 2.04 C ATOM 994 C GLU A 59 2.582 -16.467 9.599 1.00 2.33 C ATOM 995 O GLU A 59 1.925 -17.383 10.089 1.00 2.71 O ATOM 996 CB GLU A 59 1.630 -14.141 9.861 1.00 2.18 C ATOM 997 CG GLU A 59 0.199 -14.659 10.042 1.00 3.51 C ATOM 998 CD GLU A 59 -0.070 -15.010 11.491 1.00 4.47 C ATOM 999 OE1 GLU A 59 -0.124 -14.036 12.275 1.00 4.50 O ATOM 1000 OE2 GLU A 59 -0.160 -16.224 11.781 1.00 5.97 O ATOM 0 H GLU A 59 4.068 -14.111 9.128 1.00 1.76 H new ATOM 0 HA GLU A 59 2.595 -15.302 11.389 1.00 2.04 H new ATOM 0 HB2 GLU A 59 1.742 -13.210 10.417 1.00 2.18 H new ATOM 0 HB3 GLU A 59 1.790 -13.905 8.809 1.00 2.18 H new ATOM 0 HG2 GLU A 59 -0.511 -13.902 9.709 1.00 3.51 H new ATOM 0 HG3 GLU A 59 0.044 -15.538 9.416 1.00 3.51 H new ATOM 1007 N ASN A 60 3.219 -16.590 8.431 1.00 2.37 N ATOM 1008 CA ASN A 60 3.258 -17.789 7.614 1.00 2.86 C ATOM 1009 C ASN A 60 4.167 -18.824 8.288 1.00 3.26 C ATOM 1010 O ASN A 60 5.198 -19.215 7.743 1.00 3.88 O ATOM 1011 CB ASN A 60 3.801 -17.408 6.232 1.00 3.14 C ATOM 1012 CG ASN A 60 2.816 -16.673 5.323 1.00 3.05 C ATOM 1013 OD1 ASN A 60 2.668 -17.061 4.173 1.00 3.86 O ATOM 1014 ND2 ASN A 60 2.169 -15.599 5.756 1.00 2.52 N ATOM 0 H ASN A 60 3.742 -15.818 8.018 1.00 2.37 H new ATOM 0 HA ASN A 60 2.263 -18.221 7.505 1.00 2.86 H new ATOM 0 HB2 ASN A 60 4.683 -16.782 6.366 1.00 3.14 H new ATOM 0 HB3 ASN A 60 4.129 -18.316 5.726 1.00 3.14 H new ATOM 0 HD21 ASN A 60 1.544 -15.092 5.129 1.00 2.52 H new ATOM 0 HD22 ASN A 60 2.296 -15.280 6.716 1.00 2.52 H new ATOM 1021 N LYS A 61 3.797 -19.231 9.500 1.00 3.31 N ATOM 1022 CA LYS A 61 4.518 -20.064 10.429 1.00 3.95 C ATOM 1023 C LYS A 61 3.458 -20.783 11.263 1.00 4.29 C ATOM 1024 O LYS A 61 2.293 -20.353 11.287 1.00 4.17 O ATOM 1025 CB LYS A 61 5.401 -19.167 11.301 1.00 4.53 C ATOM 1026 CG LYS A 61 6.762 -18.932 10.633 1.00 5.41 C ATOM 1027 CD LYS A 61 7.594 -17.910 11.416 1.00 5.99 C ATOM 1028 CE LYS A 61 8.969 -17.670 10.772 1.00 7.36 C ATOM 1029 NZ LYS A 61 8.887 -17.322 9.334 1.00 7.85 N ATOM 0 H LYS A 61 2.894 -18.952 9.883 1.00 3.31 H new ATOM 0 HA LYS A 61 5.164 -20.790 9.936 1.00 3.95 H new ATOM 0 HB2 LYS A 61 4.903 -18.212 11.470 1.00 4.53 H new ATOM 0 HB3 LYS A 61 5.545 -19.629 12.278 1.00 4.53 H new ATOM 0 HG2 LYS A 61 7.306 -19.874 10.568 1.00 5.41 H new ATOM 0 HG3 LYS A 61 6.613 -18.579 9.613 1.00 5.41 H new ATOM 0 HD2 LYS A 61 7.050 -16.967 11.472 1.00 5.99 H new ATOM 0 HD3 LYS A 61 7.729 -18.261 12.439 1.00 5.99 H new ATOM 0 HE2 LYS A 61 9.478 -16.867 11.305 1.00 7.36 H new ATOM 0 HE3 LYS A 61 9.579 -18.566 10.888 1.00 7.36 H new ATOM 0 HZ1 LYS A 61 9.721 -16.763 9.064 1.00 7.85 H new ATOM 0 HZ2 LYS A 61 8.856 -18.193 8.767 1.00 7.85 H new ATOM 0 HZ3 LYS A 61 8.026 -16.765 9.160 1.00 7.85 H new ATOM 1043 N THR A 62 3.867 -21.909 11.860 1.00 5.08 N ATOM 1044 CA THR A 62 3.050 -22.963 12.445 1.00 5.83 C ATOM 1045 C THR A 62 2.185 -23.612 11.358 1.00 5.53 C ATOM 1046 O THR A 62 2.337 -24.790 11.055 1.00 5.90 O ATOM 1047 CB THR A 62 2.273 -22.411 13.643 1.00 6.85 C ATOM 1048 OG1 THR A 62 3.169 -21.781 14.536 1.00 7.57 O ATOM 1049 CG2 THR A 62 1.498 -23.501 14.390 1.00 7.88 C ATOM 0 H THR A 62 4.861 -22.117 11.950 1.00 5.08 H new ATOM 0 HA THR A 62 3.670 -23.766 12.843 1.00 5.83 H new ATOM 0 HB THR A 62 1.547 -21.695 13.258 1.00 6.85 H new ATOM 0 HG1 THR A 62 2.672 -21.426 15.302 1.00 7.57 H new ATOM 0 HG21 THR A 62 0.964 -23.057 15.230 1.00 7.88 H new ATOM 0 HG22 THR A 62 0.783 -23.968 13.713 1.00 7.88 H new ATOM 0 HG23 THR A 62 2.194 -24.254 14.759 1.00 7.88 H new ATOM 1057 N LYS A 63 1.331 -22.806 10.731 1.00 5.34 N ATOM 1058 CA LYS A 63 0.640 -23.072 9.497 1.00 5.63 C ATOM 1059 C LYS A 63 1.654 -23.380 8.386 1.00 5.51 C ATOM 1060 O LYS A 63 1.553 -24.401 7.715 1.00 6.36 O ATOM 1061 CB LYS A 63 -0.142 -21.791 9.188 1.00 6.24 C ATOM 1062 CG LYS A 63 -1.163 -21.434 10.280 1.00 7.52 C ATOM 1063 CD LYS A 63 -1.853 -20.093 9.994 1.00 8.41 C ATOM 1064 CE LYS A 63 -0.922 -18.865 9.970 1.00 9.07 C ATOM 1065 NZ LYS A 63 -0.077 -18.718 11.176 1.00 9.61 N ATOM 0 H LYS A 63 1.096 -21.888 11.109 1.00 5.34 H new ATOM 0 HA LYS A 63 -0.023 -23.934 9.568 1.00 5.63 H new ATOM 0 HB2 LYS A 63 0.558 -20.964 9.068 1.00 6.24 H new ATOM 0 HB3 LYS A 63 -0.661 -21.909 8.237 1.00 6.24 H new ATOM 0 HG2 LYS A 63 -1.913 -22.222 10.349 1.00 7.52 H new ATOM 0 HG3 LYS A 63 -0.661 -21.386 11.246 1.00 7.52 H new ATOM 0 HD2 LYS A 63 -2.361 -20.162 9.032 1.00 8.41 H new ATOM 0 HD3 LYS A 63 -2.622 -19.931 10.749 1.00 8.41 H new ATOM 0 HE2 LYS A 63 -0.277 -18.930 9.094 1.00 9.07 H new ATOM 0 HE3 LYS A 63 -1.528 -17.966 9.853 1.00 9.07 H new ATOM 0 HZ1 LYS A 63 -0.311 -17.826 11.657 1.00 9.61 H new ATOM 0 HZ2 LYS A 63 -0.251 -19.515 11.821 1.00 9.61 H new ATOM 0 HZ3 LYS A 63 0.925 -18.710 10.899 1.00 9.61 H new ATOM 1079 N GLY A 64 2.630 -22.479 8.195 1.00 4.87 N ATOM 1080 CA GLY A 64 3.672 -22.610 7.178 1.00 5.39 C ATOM 1081 C GLY A 64 3.078 -22.852 5.788 1.00 6.37 C ATOM 1082 O GLY A 64 3.538 -23.725 5.057 1.00 7.54 O ATOM 0 H GLY A 64 2.714 -21.629 8.753 1.00 4.87 H new ATOM 0 HA2 GLY A 64 4.280 -21.706 7.162 1.00 5.39 H new ATOM 0 HA3 GLY A 64 4.334 -23.435 7.440 1.00 5.39 H new ATOM 1086 N GLU A 65 2.041 -22.079 5.454 1.00 6.64 N ATOM 1087 CA GLU A 65 1.074 -22.407 4.412 1.00 8.20 C ATOM 1088 C GLU A 65 1.022 -21.339 3.303 1.00 9.13 C ATOM 1089 O GLU A 65 1.221 -21.689 2.140 1.00 10.13 O ATOM 1090 CB GLU A 65 -0.264 -22.742 5.113 1.00 9.01 C ATOM 1091 CG GLU A 65 -1.587 -22.259 4.491 1.00 10.21 C ATOM 1092 CD GLU A 65 -2.608 -21.964 5.586 1.00 10.70 C ATOM 1093 OE1 GLU A 65 -2.340 -21.016 6.360 1.00 10.57 O ATOM 1094 OE2 GLU A 65 -3.618 -22.694 5.642 1.00 11.48 O ATOM 0 H GLU A 65 1.849 -21.189 5.913 1.00 6.64 H new ATOM 0 HA GLU A 65 1.371 -23.291 3.848 1.00 8.20 H new ATOM 0 HB2 GLU A 65 -0.323 -23.827 5.204 1.00 9.01 H new ATOM 0 HB3 GLU A 65 -0.213 -22.340 6.125 1.00 9.01 H new ATOM 0 HG2 GLU A 65 -1.412 -21.363 3.896 1.00 10.21 H new ATOM 0 HG3 GLU A 65 -1.978 -23.019 3.814 1.00 10.21 H new ATOM 1101 N PRO A 66 0.728 -20.057 3.595 1.00 9.37 N ATOM 1102 CA PRO A 66 0.339 -19.126 2.544 1.00 10.84 C ATOM 1103 C PRO A 66 1.485 -18.692 1.621 1.00 11.37 C ATOM 1104 O PRO A 66 2.670 -18.908 1.899 1.00 11.36 O ATOM 1105 CB PRO A 66 -0.308 -17.919 3.236 1.00 11.36 C ATOM 1106 CG PRO A 66 -0.627 -18.415 4.646 1.00 10.44 C ATOM 1107 CD PRO A 66 0.422 -19.496 4.902 1.00 8.96 C ATOM 0 HA PRO A 66 -0.356 -19.631 1.874 1.00 10.84 H new ATOM 0 HB2 PRO A 66 0.368 -17.065 3.259 1.00 11.36 H new ATOM 0 HB3 PRO A 66 -1.210 -17.598 2.714 1.00 11.36 H new ATOM 0 HG2 PRO A 66 -0.558 -17.610 5.378 1.00 10.44 H new ATOM 0 HG3 PRO A 66 -1.638 -18.817 4.709 1.00 10.44 H new ATOM 0 HD2 PRO A 66 1.314 -19.076 5.367 1.00 8.96 H new ATOM 0 HD3 PRO A 66 0.040 -20.261 5.578 1.00 8.96 H new ATOM 1115 N GLY A 67 1.091 -18.028 0.529 1.00 12.20 N ATOM 1116 CA GLY A 67 1.980 -17.411 -0.438 1.00 12.96 C ATOM 1117 C GLY A 67 2.461 -16.071 0.102 1.00 12.33 C ATOM 1118 O GLY A 67 3.517 -16.035 0.719 1.00 11.67 O ATOM 0 H GLY A 67 0.106 -17.906 0.294 1.00 12.20 H new ATOM 0 HA2 GLY A 67 2.831 -18.063 -0.634 1.00 12.96 H new ATOM 0 HA3 GLY A 67 1.462 -17.269 -1.386 1.00 12.96 H new TER 1122 GLY A 67